A0A068BEQ2_MOUSE Loading...

(3R)-3-hydroxyacyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A068BEQ2, Species MOUSE (Mus musculus, Mouse), Gene Hsd17b8, Length 259 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.6Very low77.2Confident244 Ų24493.7 Ų93.7100%1.20250%0.504SS*.  01190-69.6-171.8-9200106.9S3M1-S3 PolarHBondContact O-N 2.98Å
2A46.7Very low79Confident101 Ų10185.9 Ų85.984%0.83546%0.462SS*.  trans-60.6126176.600000108.5Q4A2-Q4 PolarHBondContact O-N 3.3Å
3S55.2Low80.5Confident97 Ų9779.3 Ų79.368%0.67843%0.426SS*.  trans-58.9127.9176.953.80000108.9M1 L5M1-S3 PolarHBondContact O-N 2.98Å; S3-L5 PolarHBondContact O-N 3.27Å; S3-L5 VanDerWaalsContact O-N 3.09Å
4Q74.4Confident81.8Confident175 Ų17573.6 Ų73.682%0.81840%0.396SS*.  trans-66.2112170.2-83.7-177.9-9.700107.7A2 R6A2-Q4 PolarHBondContact O-N 3.3Å; Q4-R6 PolarHBondContact O-N 3.09Å
5L81.8Confident82.9Confident51 Ų5168.9 Ų68.927%0.26737%0.37SS..  trans-53.6123.4171-63-178000109.7S3 L7 R8 A31 E32S3-L5 PolarHBondContact O-N 3.27Å; S3-L5 VanDerWaalsContact O-N 3.09Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 2.93Å; L5-R8 HydrophobicContact CB-CG 3.6Å; L5-R8 HydrophobicContact CD1-CG 4.34Å; L5-A31 VanDerWaalsContact CD2-O 3.28Å; L5-A31 WeakPolarHBondContact CD2-O 3.4Å; L5-E32 WeakPolarHBondContact CB-O 3.28Å
6R88.9Confident83.9Confident86 Ų8665.4 Ų65.433%0.32536%0.356SS..THydrogen-bonded Turntrans-78.5-16.5-167.5-64.6177.3-69.6170-0.4114Q4 R28 E32 D242Q4-R6 PolarHBondContact O-N 3.09Å; R6-R28 VanDerWaalsContact NH2-NH2 3.11Å; R6-E32 IonicContact CZ-OE1 2.89Å; R6-E32 IonicContact CZ-OE2 3.76Å; R6-E32 PolarHBondContact N-O 2.81Å; R6-E32 PolarHBondContact N-OE2 3.41Å; R6-E32 IonicContact NE-OE1 3.69Å; R6-E32 PolarHBondContact NE-OE1 3.17Å; R6-E32 IonicContact NE-OE2 2.67Å; R6-E32 PolarHBondContact NE-OE2 3.29Å; R6-E32 VanDerWaalsContact NH2-CD 3.33Å; R6-E32 IonicContact NH2-OE1 3.98Å; R6-E32 PolarHBondContact NH2-OE1 3.33Å; R6-E32 IonicContact NH2-OE2 2.82Å; R6-D242 WeakPolarHBondContact CD-OD2 3.4Å; R6-D242 IonicContact CZ-OD2 2.73Å; R6-D242 IonicContact NH1-OD2 3.33Å; R6-D242 PolarHBondContact NH1-OD2 3.36Å
7L92.6Very high84.8Confident9 Ų961.6 Ų61.65%0.04734%0.335CS..THydrogen-bonded Turntrans-123.720.3-170.8-57.6180000113.6L5 S9 A10 L29 E32 G33 A34 A239L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 2.93Å; L7-S9 PolarHBondContact O-N 3.49Å; L7-A10 HydrophobicContact CB-CB 4.01Å; L7-A10 HydrophobicContact CD2-CB 4.4Å; L7-A10 WeakPolarHBondContact O-CB 3.43Å; L7-A10 PolarHBondContact O-N 3.43Å; L7-L29 HydrophobicContact CD1-CB 4.42Å; L7-L29 HydrophobicContact CD1-CD2 3.43Å; L7-L29 VanDerWaalsContact CD1-CD2 3.43Å; L7-E32 CarbonylContact C-O 3.5Å; L7-E32 WeakPolarHBondContact CA-O 3.41Å; L7-E32 HydrophobicContact CB-CB 4.09Å; L7-E32 WeakPolarHBondContact CB-O 3.31Å; L7-E32 HydrophobicContact CD1-CB 3.86Å; L7-E32 HydrophobicContact CG-CB 3.95Å; L7-E32 PolarHBondContact N-O 3.41Å; L7-G33 CarbonylContact O-C 3.55Å; L7-A34 HydrophobicContact CB-CB 3.92Å; L7-A34 HydrophobicContact CD1-CB 4.39Å; L7-A34 VanDerWaalsContact O-CA 3.29Å; L7-A34 WeakPolarHBondContact O-CA 3.42Å; L7-A34 PolarHBondContact O-N 3.25Å; L7-A239 HydrophobicContact CD1-CB 4.21Å; L7-A239 HydrophobicContact CD2-CB 4.28Å
8R87.4Confident85.5Confident159 Ų15958.2 Ų58.260%0.632%0.317SS*.THydrogen-bonded Turntrans-49-36.4-176.6-68.9-179-178.3-91.4-1.8114.9L5 G33L5-R8 HydrophobicContact CB-CG 3.6Å; L5-R8 HydrophobicContact CD1-CG 4.34Å; R8-G33 WeakPolarHBondContact CA-O 3.41Å
9S88.4Confident86.1Confident100 Ų10058.3 Ų58.370%0.69932%0.323SS*.THydrogen-bonded Turntrans-97.5-3.2-178-58.60000113.1L7 R93L7-S9 PolarHBondContact O-N 3.49Å; S9-R93 PolarHBondContact O-NH1 2.92Å; S9-R93 PolarHBondContact O-NH2 3.29Å
10A95Very high86.6Confident8 Ų856.3 Ų56.37%0.06632%0.315CS..  trans-78.1146.1-176.500000111.8L7 A34 A35 R93 S96 V97L7-A10 HydrophobicContact CB-CB 4.01Å; L7-A10 HydrophobicContact CD2-CB 4.4Å; L7-A10 WeakPolarHBondContact O-CB 3.43Å; L7-A10 PolarHBondContact O-N 3.43Å; A10-A34 HydrophobicContact CB-CB 4.19Å; A10-A35 PolarHBondContact O-N 2.95Å; A10-R93 PolarHBondContact O-NH2 2.93Å; A10-R93 VanDerWaalsContact O-NH2 3.17Å; A10-S96 WeakPolarHBondContact CA-OG 3.36Å; A10-V97 HydrophobicContact CB-CG2 4.19Å
11L97.8Very high87.2Confident1 Ų154.9 Ų54.91%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-110.6119.4159.5172.463.5000107.3A35 V87 F91 R93 P95 S96 V97L11-A35 HydrophobicContact CD1-CB 3.82Å; L11-V87 HydrophobicContact CD2-CG1 4.07Å; L11-F91 HydrophobicContact CD1-CB 4.19Å; L11-F91 HydrophobicContact CD1-CD1 3.78Å; L11-F91 HydrophobicContact CD1-CD2 3.77Å; L11-F91 HydrophobicContact CD1-CE1 4.04Å; L11-F91 HydrophobicContact CD1-CE2 4.04Å; L11-F91 HydrophobicContact CD1-CG 3.63Å; L11-F91 HydrophobicContact CD1-CZ 4.16Å; L11-F91 HydrophobicContact CD2-CB 3.53Å; L11-F91 HydrophobicContact CD2-CD2 4.09Å; L11-F91 HydrophobicContact CD2-CG 3.87Å; L11-F91 HydrophobicContact CG-CG 4.42Å; L11-R93 HydrophobicContact CB-CG 4.47Å; L11-R93 HydrophobicContact CD2-CG 3.87Å; L11-R93 VanDerWaalsContact CD2-O 3.31Å; L11-R93 WeakPolarHBondContact CD2-O 3.43Å; L11-P95 HydrophobicContact CD2-CB 4.37Å; L11-P95 HydrophobicContact CG-CB 4.13Å; L11-P95 CarbonylContact O-C 3.51Å; L11-P95 VanDerWaalsContact O-CA 3.24Å; L11-P95 WeakPolarHBondContact O-CA 3.41Å; L11-P95 WeakPolarHBondContact O-CB 3.39Å; L11-S96 PolarHBondContact N-OG 3.28Å; L11-S96 PolarHBondContact O-N 3.32Å; L11-V97 PolarHBondContact O-N 2.85Å
12A98.6Very high90Very high0 Ų043.3 Ų43.30%025%0.25CS..EExtended strand (participates in β ladder)trans-103.5124.1179.900000110.9L29 A34 A35 V36 A37 V97A12-L29 HydrophobicContact CB-CD1 3.74Å; A12-A34 HydrophobicContact CB-CB 4.36Å; A12-A35 PolarHBondContact N-O 2.89Å; A12-V36 HydrophobicContact CB-CG2 4.46Å; A12-V36 CarbonylContact O-C 3.37Å; A12-V36 WeakPolarHBondContact O-CA 3.41Å; A12-A37 PolarHBondContact O-N 2.91Å; A12-V97 CarbonylContact C-O 3.53Å; A12-V97 VanDerWaalsContact CA-O 3.24Å; A12-V97 WeakPolarHBondContact CA-O 3.36Å; A12-V97 HydrophobicContact CB-CB 4.08Å; A12-V97 HydrophobicContact CB-CG1 4.21Å
13L98.8Very high92.4Very high0 Ų042.3 Ų42.30%023%0.225CC..EExtended strand (participates in β ladder)trans-97.2123.9164.3171.658.9000108.8A37 C39 L83 L84 V87 P95 V97 V98 V99L13-A37 WeakPolarHBondContact CA-O 3.31Å; L13-A37 HydrophobicContact CD1-CB 4Å; L13-A37 WeakPolarHBondContact CD1-O 3.36Å; L13-C39 HydrophobicContact CD1-CB 4.08Å; L13-L83 HydrophobicContact CD1-CD1 4.43Å; L13-L83 HydrophobicContact CD1-CD2 4.33Å; L13-L83 HydrophobicContact CD1-CG 4.47Å; L13-L83 HydrophobicContact CD2-CD2 4.27Å; L13-L83 HydrophobicContact CD2-CG 4.41Å; L13-L84 HydrophobicContact CD2-CD1 3.99Å; L13-L84 HydrophobicContact CD2-CD2 3.68Å; L13-V87 HydrophobicContact CD1-CG2 4.13Å; L13-P95 HydrophobicContact CB-CB 3.91Å; L13-P95 HydrophobicContact CB-CG 4.06Å; L13-V97 PolarHBondContact N-O 3.3Å; L13-V98 HydrophobicContact CB-CG2 4.33Å; L13-V98 HydrophobicContact CD2-CG1 4.42Å; L13-V98 CarbonylContact O-C 3.56Å; L13-V98 WeakPolarHBondContact O-CA 3.48Å; L13-V99 PolarHBondContact O-N 2.82Å
14V98.9Very high94.5Very high0 Ų038.1 Ų38.10%020%0.196CC..EExtended strand (participates in β ladder)trans-120.2116.6176.2-173.70000108.8A17 I25 L29 V36 A37 C39 V99V14-A17 HydrophobicContact CB-CB 4.15Å; V14-A17 HydrophobicContact CG1-CB 4.02Å; V14-A17 WeakPolarHBondContact O-CB 3.48Å; V14-I25 HydrophobicContact CG1-CG2 4.18Å; V14-I25 HydrophobicContact CG2-CG2 4.05Å; V14-L29 HydrophobicContact CG2-CD1 4.05Å; V14-V36 HydrophobicContact CG2-CG1 4.44Å; V14-A37 PolarHBondContact N-O 3.37Å; V14-C39 PolarHBondContact O-N 3.39Å; V14-V99 HydrophobicContact CG1-CB 4.31Å; V14-V99 HydrophobicContact CG2-CB 4.29Å; V14-V99 HydrophobicContact CG2-CG2 4.4Å
15T98.8Very high95.7Very high2 Ų229.8 Ų29.81%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-92148.4172.670.40000110.8A17 C39 V74 L83 V99 S100 C101 A102 V132T15-A17 VanDerWaalsContact C-N 3.26Å; T15-C39 CarbonylContact C-O 3.5Å; T15-C39 WeakPolarHBondContact CA-O 3.46Å; T15-C39 HydrophobicContact CG2-CB 4.4Å; T15-V74 HydrophobicContact CG2-CG1 4.06Å; T15-L83 HydrophobicContact CG2-CD2 4.21Å; T15-V99 PolarHBondContact N-O 3.04Å; T15-S100 WeakPolarHBondContact OG1-CA 3.13Å; T15-C101 CarbonylContact O-C 3.43Å; T15-C101 VanDerWaalsContact O-CA 3.31Å; T15-C101 WeakPolarHBondContact O-CA 3.15Å; T15-C101 WeakPolarHBondContact O-CB 3.45Å; T15-C101 PolarHBondContact O-N 2.88Å; T15-C101 VanDerWaalsContact O-N 3.14Å; T15-C101 PolarHBondContact OG1-N 3.35Å; T15-A102 PolarHBondContact O-N 3.02Å; T15-A102 VanDerWaalsContact O-N 3.14Å; T15-V132 HydrophobicContact CG2-CG1 4.15Å; T15-V132 HydrophobicContact CG2-CG2 4.13Å
16G98.4Very high96.5Very high14 Ų1427.3 Ų27.314%0.14414%0.144CC..THydrogen-bonded Turntrans70.226.5-170.200000112.3G18 G22 C39 D40G16-G18 PolarHBondContact O-N 3.34Å; G16-G22 WeakPolarHBondContact O-CA 3.24Å; G16-C39 PolarHBondContact N-O 3.19Å; G16-D40 VanDerWaalsContact CA-OD2 3.27Å; G16-D40 WeakPolarHBondContact CA-OD2 3.09Å
17A98.4Very high96.8Very high0 Ų026.1 Ų26.10%015%0.146CC..THydrogen-bonded Turntrans-76.9-5.9-174.200000113.7V14 T15 S19 R23 A38 C39 D40 T49V14-A17 HydrophobicContact CB-CB 4.15Å; V14-A17 HydrophobicContact CG1-CB 4.02Å; V14-A17 WeakPolarHBondContact O-CB 3.48Å; T15-A17 VanDerWaalsContact C-N 3.26Å; A17-S19 VanDerWaalsContact C-N 3.29Å; A17-S19 PolarHBondContact O-N 3.42Å; A17-R23 WeakPolarHBondContact O-CA 3.29Å; A17-A38 HydrophobicContact CB-CB 3.77Å; A17-C39 PolarHBondContact N-O 3.26Å; A17-D40 PolarHBondContact N-OD2 3.05Å; A17-T49 WeakPolarHBondContact O-CB 3.48Å; A17-T49 WeakPolarHBondContact O-CG2 3.48Å; A17-T49 PolarHBondContact O-OG1 3.37Å
18G97.4Very high97.1Very high1 Ų128.6 Ų28.61%0.0116%0.155CC..THydrogen-bonded Turntrans-69.7-21.8-173.500000113.9G16 R23 D40G16-G18 PolarHBondContact O-N 3.34Å; G18-R23 PolarHBondContact O-NE 3.17Å; G18-R23 PolarHBondContact O-NH2 3.15Å; G18-D40 WeakPolarHBondContact CA-OD2 3.39Å; G18-D40 PolarHBondContact N-OD2 3.21Å
19S97Very high97.5Very high60 Ų6021 Ų2142%0.4213%0.126SC..SBendtrans-157.8176.1-179.169.90000113.2A17 I21 G22 R23A17-S19 VanDerWaalsContact C-N 3.29Å; A17-S19 PolarHBondContact O-N 3.42Å; S19-I21 PolarHBondContact O-N 3.13Å; S19-G22 PolarHBondContact O-N 3.23Å; S19-R23 PolarHBondContact O-N 3.15Å; S19-R23 VanDerWaalsContact O-N 3.14Å
20G97.4Very high97.9Very high17 Ų1716.5 Ų16.518%0.17510%0.095CC..Hα-helixtrans49.9-132.4169.400000114G22 R23 A24G20-G22 PolarHBondContact O-N 3.35Å; G20-R23 PolarHBondContact O-N 3.02Å; G20-A24 PolarHBondContact O-N 3.19Å
21I98.6Very high97.8Very high28 Ų2819.2 Ų19.214%0.14412%0.117CC..Hα-helixtrans-57.4-45-178.1-65.9168.5000111.8S19 R23 A24 I25 P197 I200 T202 V231S19-I21 PolarHBondContact O-N 3.13Å; I21-R23 VanDerWaalsContact C-N 3.33Å; I21-R23 PolarHBondContact O-N 2.62Å; I21-A24 PolarHBondContact O-N 2.86Å; I21-I25 HydrophobicContact CG2-CD1 3.5Å; I21-I25 VanDerWaalsContact CG2-CD1 3.5Å; I21-I25 HydrophobicContact CG2-CG1 4.2Å; I21-I25 WeakPolarHBondContact O-CB 3.45Å; I21-I25 VanDerWaalsContact O-CG1 3.24Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.37Å; I21-P197 HydrophobicContact CD1-CB 4.38Å; I21-P197 HydrophobicContact CD1-CG 4.22Å; I21-I200 HydrophobicContact CD1-CB 4.22Å; I21-I200 HydrophobicContact CD1-CG1 4.1Å; I21-I200 HydrophobicContact CD1-CG2 4.29Å; I21-I200 HydrophobicContact CG1-CG2 4.1Å; I21-T202 HydrophobicContact CG1-CG2 4.08Å; I21-V231 HydrophobicContact CD1-CG2 4.31Å; I21-V231 HydrophobicContact CG1-CG2 4.47Å; I21-V231 HydrophobicContact CG2-CB 4.06Å; I21-V231 HydrophobicContact CG2-CG1 3.67Å
22G98.6Very high97.5Very high1 Ų120.3 Ų20.31%0.0112%0.123CC..Hα-helixtrans-65.1-35.9-17800000113.1G16 S19 G20 S26G16-G22 WeakPolarHBondContact O-CA 3.24Å; S19-G22 PolarHBondContact O-N 3.23Å; G20-G22 PolarHBondContact O-N 3.35Å; G22-S26 WeakPolarHBondContact O-CB 3.38Å; G22-S26 PolarHBondContact O-N 3.48Å; G22-S26 PolarHBondContact O-OG 3Å
23R98.5Very high97.2Very high80 Ų8020.7 Ų20.730%0.30213%0.126SC..Hα-helixtrans-65.7-48.4172.1179.8-178.3-67.3-179.7-0.4111.2A17 G18 S19 G20 I21 I25 S26 V27 T49 L52A17-R23 WeakPolarHBondContact O-CA 3.29Å; G18-R23 PolarHBondContact O-NE 3.17Å; G18-R23 PolarHBondContact O-NH2 3.15Å; S19-R23 PolarHBondContact O-N 3.15Å; S19-R23 VanDerWaalsContact O-N 3.14Å; G20-R23 PolarHBondContact O-N 3.02Å; I21-R23 VanDerWaalsContact C-N 3.33Å; I21-R23 PolarHBondContact O-N 2.62Å; R23-I25 VanDerWaalsContact C-N 3.32Å; R23-I25 PolarHBondContact O-N 2.7Å; R23-S26 WeakPolarHBondContact O-CB 3.46Å; R23-S26 PolarHBondContact O-N 3Å; R23-S26 VanDerWaalsContact O-N 3.11Å; R23-V27 WeakPolarHBondContact O-CG2 3.5Å; R23-V27 PolarHBondContact O-N 3.47Å; R23-T49 HydrophobicContact CB-CG2 4.44Å; R23-T49 HydrophobicContact CG-CG2 4.04Å; R23-T49 WeakPolarHBondContact CG-OG1 3.36Å; R23-T49 PolarHBondContact NE-OG1 2.8Å; R23-L52 HydrophobicContact CG-CD1 4.31Å
24A98.6Very high97Very high8 Ų820.7 Ų20.77%0.06613%0.126CC..Hα-helixtrans-60.8-40.9178.900000112.1G20 I21 S26 V27 R28 P228 A232G20-A24 PolarHBondContact O-N 3.19Å; I21-A24 PolarHBondContact O-N 2.86Å; A24-S26 VanDerWaalsContact C-N 3.35Å; A24-S26 PolarHBondContact O-N 2.58Å; A24-V27 PolarHBondContact O-N 2.82Å; A24-R28 WeakPolarHBondContact O-CB 3.48Å; A24-R28 PolarHBondContact O-N 3.26Å; A24-P228 HydrophobicContact CB-CB 3.43Å; A24-P228 VanDerWaalsContact CB-CB 3.43Å; A24-A232 HydrophobicContact CB-CB 4.23Å
25I98.8Very high96.9Very high0 Ų021.1 Ų21.10%013%0.13CC..Hα-helixtrans-58.6-47.4172.5-71.2164.5000110.6V14 I21 R23 V27 R28 L29 V99 I152 A232 V235V14-I25 HydrophobicContact CG1-CG2 4.18Å; V14-I25 HydrophobicContact CG2-CG2 4.05Å; I21-I25 HydrophobicContact CG2-CD1 3.5Å; I21-I25 VanDerWaalsContact CG2-CD1 3.5Å; I21-I25 HydrophobicContact CG2-CG1 4.2Å; I21-I25 WeakPolarHBondContact O-CB 3.45Å; I21-I25 VanDerWaalsContact O-CG1 3.24Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.37Å; R23-I25 VanDerWaalsContact C-N 3.32Å; R23-I25 PolarHBondContact O-N 2.7Å; I25-V27 VanDerWaalsContact C-N 3.35Å; I25-V27 PolarHBondContact O-N 3.46Å; I25-R28 PolarHBondContact O-N 3.36Å; I25-L29 HydrophobicContact CG2-CD1 3.7Å; I25-L29 HydrophobicContact CG2-CG 4.12Å; I25-L29 WeakPolarHBondContact O-CB 3.43Å; I25-L29 VanDerWaalsContact O-CG 3.25Å; I25-L29 WeakPolarHBondContact O-CG 3.49Å; I25-L29 PolarHBondContact O-N 3.03Å; I25-V99 HydrophobicContact CD1-CG1 4.06Å; I25-V99 HydrophobicContact CG2-CB 4.46Å; I25-V99 HydrophobicContact CG2-CG1 4.27Å; I25-V99 HydrophobicContact CG2-CG2 4.18Å; I25-I152 HydrophobicContact CD1-CD1 4.12Å; I25-I152 HydrophobicContact CD1-CG1 4.35Å; I25-A232 HydrophobicContact CG1-CB 4.01Å; I25-V235 HydrophobicContact CD1-CB 4.43Å; I25-V235 HydrophobicContact CD1-CG1 4.43Å; I25-V235 HydrophobicContact CD1-CG2 3.86Å; I25-V235 HydrophobicContact CG1-CB 4.21Å; I25-V235 HydrophobicContact CG1-CG1 4.3Å; I25-V235 HydrophobicContact CG1-CG2 4.11Å; I25-V235 HydrophobicContact CG2-CB 4.5Å; I25-V235 HydrophobicContact CG2-CG1 3.75Å
26S98.6Very high96.9Very high0 Ų021 Ų210%013%0.129CC..Hα-helixtrans-60.1-44.9179.9-62.30000111.7G22 R23 A24 A30 L53G22-S26 WeakPolarHBondContact O-CB 3.38Å; G22-S26 PolarHBondContact O-N 3.48Å; G22-S26 PolarHBondContact O-OG 3Å; R23-S26 WeakPolarHBondContact O-CB 3.46Å; R23-S26 PolarHBondContact O-N 3Å; R23-S26 VanDerWaalsContact O-N 3.11Å; A24-S26 VanDerWaalsContact C-N 3.35Å; A24-S26 PolarHBondContact O-N 2.58Å; S26-A30 WeakPolarHBondContact O-CB 3.41Å; S26-A30 PolarHBondContact O-N 3.34Å; S26-A30 VanDerWaalsContact O-N 3.08Å; S26-L53 WeakPolarHBondContact O-CD2 3.46Å
27V97.2Very high96.9Very high61 Ų6120.4 Ų20.437%0.3712%0.122SC..Hα-helixtrans-60.5-48.7175172.90000111R23 A24 I25 A30 A31 L52 L53R23-V27 WeakPolarHBondContact O-CG2 3.5Å; R23-V27 PolarHBondContact O-N 3.47Å; A24-V27 PolarHBondContact O-N 2.82Å; I25-V27 VanDerWaalsContact C-N 3.35Å; I25-V27 PolarHBondContact O-N 3.46Å; V27-A30 PolarHBondContact O-N 2.87Å; V27-A31 WeakPolarHBondContact O-CB 3.37Å; V27-A31 PolarHBondContact O-N 3.43Å; V27-L52 HydrophobicContact CG2-CB 4.5Å; V27-L53 VanDerWaalsContact CA-CD2 3.47Å; V27-L53 HydrophobicContact CB-CD2 4.25Å; V27-L53 HydrophobicContact CG2-CD2 3.79Å
28R97.4Very high96.9Very high61 Ų6120.4 Ų20.423%0.2312%0.122CC..Hα-helixtrans-63.9-44.2-178.5179.962.5-163.8-1165.3112.5R6 A24 I25 A31 E32 A232 D233 A236R6-R28 VanDerWaalsContact NH2-NH2 3.11Å; A24-R28 WeakPolarHBondContact O-CB 3.48Å; A24-R28 PolarHBondContact O-N 3.26Å; I25-R28 PolarHBondContact O-N 3.36Å; R28-A31 PolarHBondContact O-N 3.08Å; R28-E32 IonicContact CZ-OE1 3.8Å; R28-E32 IonicContact NE-OE1 3.02Å; R28-E32 PolarHBondContact NE-OE1 3.06Å; R28-E32 IonicContact NH2-OE1 3Å; R28-E32 PolarHBondContact NH2-OE1 3.27Å; R28-E32 WeakPolarHBondContact O-CG 3.49Å; R28-E32 PolarHBondContact O-N 2.79Å; R28-E32 VanDerWaalsContact O-N 3.11Å; R28-A232 HydrophobicContact CB-CB 3.79Å; R28-A232 HydrophobicContact CG-CB 4.21Å; R28-D233 IonicContact CZ-OD1 3.52Å; R28-D233 IonicContact NH1-OD1 2.58Å; R28-D233 PolarHBondContact NH1-OD1 3.27Å; R28-D233 IonicContact NH1-OD2 2.86Å; R28-D233 PolarHBondContact NH1-OD2 3.11Å; R28-A236 HydrophobicContact CG-CB 3.76Å
29L97.1Very high97Very high0 Ų020.3 Ų20.30%012%0.122CC..Hα-helixtrans-65.6-38.8178.8-65.1177.8000111.5L7 A12 V14 I25 E32 G33 A34 V36 V97 V99 A236 A239L7-L29 HydrophobicContact CD1-CB 4.42Å; L7-L29 HydrophobicContact CD1-CD2 3.43Å; L7-L29 VanDerWaalsContact CD1-CD2 3.43Å; A12-L29 HydrophobicContact CB-CD1 3.74Å; V14-L29 HydrophobicContact CG2-CD1 4.05Å; I25-L29 HydrophobicContact CG2-CD1 3.7Å; I25-L29 HydrophobicContact CG2-CG 4.12Å; I25-L29 WeakPolarHBondContact O-CB 3.43Å; I25-L29 VanDerWaalsContact O-CG 3.25Å; I25-L29 WeakPolarHBondContact O-CG 3.49Å; I25-L29 PolarHBondContact O-N 3.03Å; L29-E32 CarbonylContact O-C 3.58Å; L29-E32 PolarHBondContact O-N 2.74Å; L29-G33 PolarHBondContact O-N 3.03Å; L29-A34 HydrophobicContact CB-CB 4.25Å; L29-A34 VanDerWaalsContact O-CB 3.24Å; L29-A34 WeakPolarHBondContact O-CB 3.36Å; L29-A34 PolarHBondContact O-N 2.88Å; L29-V36 HydrophobicContact CB-CG2 4.42Å; L29-V97 HydrophobicContact CD1-CG1 4.36Å; L29-V99 HydrophobicContact CD1-CG2 4.24Å; L29-A236 HydrophobicContact CD2-CB 4.24Å; L29-A239 HydrophobicContact CD2-CB 3.95Å
30A95.6Very high97Very high5 Ų518.9 Ų18.94%0.04111%0.11CC..Hα-helixtrans-64.3-41.3173.700000112.1S26 V27 E32 G33 V36 L53S26-A30 WeakPolarHBondContact O-CB 3.41Å; S26-A30 PolarHBondContact O-N 3.34Å; S26-A30 VanDerWaalsContact O-N 3.08Å; V27-A30 PolarHBondContact O-N 2.87Å; A30-E32 PolarHBondContact O-N 2.87Å; A30-G33 WeakPolarHBondContact O-CA 3.49Å; A30-G33 PolarHBondContact O-N 2.97Å; A30-V36 HydrophobicContact CB-CG2 4.01Å; A30-L53 HydrophobicContact CB-CB 4.04Å; A30-L53 HydrophobicContact CB-CD1 4.32Å; A30-L53 HydrophobicContact CB-CD2 4.02Å; A30-L53 HydrophobicContact CB-CG 4.33Å
31A92.9Very high97.1Very high65 Ų6523.3 Ų23.354%0.53713%0.128SC..Hα-helixtrans-62-28175.600000112.7L5 V27 R28 G33L5-A31 VanDerWaalsContact CD2-O 3.28Å; L5-A31 WeakPolarHBondContact CD2-O 3.4Å; V27-A31 WeakPolarHBondContact O-CB 3.37Å; V27-A31 PolarHBondContact O-N 3.43Å; R28-A31 PolarHBondContact O-N 3.08Å; A31-G33 VanDerWaalsContact C-N 3.26Å; A31-G33 PolarHBondContact O-N 2.95Å
32E92.9Very high97Very high24 Ų2426.1 Ų26.111%0.11214%0.144CC..THydrogen-bonded Turntrans-85.16.7172.5-65.5-76175.700113.3L5 R6 L7 R28 L29 A30L5-E32 WeakPolarHBondContact CB-O 3.28Å; R6-E32 IonicContact CZ-OE1 2.89Å; R6-E32 IonicContact CZ-OE2 3.76Å; R6-E32 PolarHBondContact N-O 2.81Å; R6-E32 PolarHBondContact N-OE2 3.41Å; R6-E32 IonicContact NE-OE1 3.69Å; R6-E32 PolarHBondContact NE-OE1 3.17Å; R6-E32 IonicContact NE-OE2 2.67Å; R6-E32 PolarHBondContact NE-OE2 3.29Å; R6-E32 VanDerWaalsContact NH2-CD 3.33Å; R6-E32 IonicContact NH2-OE1 3.98Å; R6-E32 PolarHBondContact NH2-OE1 3.33Å; R6-E32 IonicContact NH2-OE2 2.82Å; L7-E32 CarbonylContact C-O 3.5Å; L7-E32 WeakPolarHBondContact CA-O 3.41Å; L7-E32 HydrophobicContact CB-CB 4.09Å; L7-E32 WeakPolarHBondContact CB-O 3.31Å; L7-E32 HydrophobicContact CD1-CB 3.86Å; L7-E32 HydrophobicContact CG-CB 3.95Å; L7-E32 PolarHBondContact N-O 3.41Å; R28-E32 IonicContact CZ-OE1 3.8Å; R28-E32 IonicContact NE-OE1 3.02Å; R28-E32 PolarHBondContact NE-OE1 3.06Å; R28-E32 IonicContact NH2-OE1 3Å; R28-E32 PolarHBondContact NH2-OE1 3.27Å; R28-E32 WeakPolarHBondContact O-CG 3.49Å; R28-E32 PolarHBondContact O-N 2.79Å; R28-E32 VanDerWaalsContact O-N 3.11Å; L29-E32 CarbonylContact O-C 3.58Å; L29-E32 PolarHBondContact O-N 2.74Å; A30-E32 PolarHBondContact O-N 2.87Å
33G91.7Very high97Very high7 Ų727 Ų277%0.07215%0.153CC..THydrogen-bonded Turntrans92.54.1173.300000116L7 R8 L29 A30 A31L7-G33 CarbonylContact O-C 3.55Å; R8-G33 WeakPolarHBondContact CA-O 3.41Å; L29-G33 PolarHBondContact O-N 3.03Å; A30-G33 WeakPolarHBondContact O-CA 3.49Å; A30-G33 PolarHBondContact O-N 2.97Å; A31-G33 VanDerWaalsContact C-N 3.26Å; A31-G33 PolarHBondContact O-N 2.95Å
34A95.1Very high96.9Very high0 Ų026.1 Ų26.10%016%0.163CC..  trans-69.3144.3178.200000111.8L7 A10 A12 L29 V36 H67L7-A34 HydrophobicContact CB-CB 3.92Å; L7-A34 HydrophobicContact CD1-CB 4.39Å; L7-A34 VanDerWaalsContact O-CA 3.29Å; L7-A34 WeakPolarHBondContact O-CA 3.42Å; L7-A34 PolarHBondContact O-N 3.25Å; A10-A34 HydrophobicContact CB-CB 4.19Å; A12-A34 HydrophobicContact CB-CB 4.36Å; L29-A34 HydrophobicContact CB-CB 4.25Å; L29-A34 VanDerWaalsContact O-CB 3.24Å; L29-A34 WeakPolarHBondContact O-CB 3.36Å; L29-A34 PolarHBondContact O-N 2.88Å; A34-V36 HydrophobicContact CB-CG2 4.49Å; A34-H67 PolarHBondContact O-CE1 3.06Å
35A96.5Very high96.9Very high10 Ų1026.5 Ų26.58%0.08317%0.166CC..EExtended strand (participates in β ladder)trans-70.3140.2156.700000108.7A10 L11 A12 K66 F91A10-A35 PolarHBondContact O-N 2.95Å; L11-A35 HydrophobicContact CD1-CB 3.82Å; A12-A35 PolarHBondContact N-O 2.89Å; A35-K66 CarbonylContact C-O 3.6Å; A35-K66 WeakPolarHBondContact CA-O 3.4Å; A35-K66 WeakPolarHBondContact CB-O 3.49Å; A35-F91 HydrophobicContact CB-CD1 4.4Å; A35-F91 HydrophobicContact CB-CE1 4.23Å
36V98.1Very high96.8Very high0 Ų026.5 Ų26.50%017%0.166CC..EExtended strand (participates in β ladder)trans-126.6119.6-173.9-177.80000111.4A12 V14 L29 A30 A34 L53 K66 H67 A68A12-V36 HydrophobicContact CB-CG2 4.46Å; A12-V36 CarbonylContact O-C 3.37Å; A12-V36 WeakPolarHBondContact O-CA 3.41Å; V14-V36 HydrophobicContact CG2-CG1 4.44Å; L29-V36 HydrophobicContact CB-CG2 4.42Å; A30-V36 HydrophobicContact CB-CG2 4.01Å; A34-V36 HydrophobicContact CB-CG2 4.49Å; V36-L53 HydrophobicContact CB-CD1 3.69Å; V36-L53 HydrophobicContact CG1-CD1 3.9Å; V36-L53 HydrophobicContact CG2-CD1 4.15Å; V36-K66 PolarHBondContact N-O 3.41Å; V36-K66 VanDerWaalsContact N-O 3.15Å; V36-H67 WeakPolarHBondContact CB-ND1 3.25Å; V36-H67 PolarHBondContact N-ND1 3.11Å; V36-H67 VanDerWaalsContact N-ND1 3.13Å; V36-H67 CarbonylContact O-C 3.41Å; V36-H67 WeakPolarHBondContact O-CA 3.46Å; V36-H67 WeakPolarHBondContact O-CB 3.45Å; V36-A68 PolarHBondContact O-N 2.76Å
37A98.4Very high96.7Very high0 Ų030.4 Ų30.40%018%0.184CC..EExtended strand (participates in β ladder)trans-91100162.800000108.8A12 L13 V14 A68 F70 V87 F91A12-A37 PolarHBondContact O-N 2.91Å; L13-A37 WeakPolarHBondContact CA-O 3.31Å; L13-A37 HydrophobicContact CD1-CB 4Å; L13-A37 WeakPolarHBondContact CD1-O 3.36Å; V14-A37 PolarHBondContact N-O 3.37Å; A37-A68 CarbonylContact C-O 3.56Å; A37-A68 WeakPolarHBondContact CA-O 3.5Å; A37-F70 HydrophobicContact CB-CD2 3.92Å; A37-F70 HydrophobicContact CB-CE2 3.56Å; A37-V87 HydrophobicContact CB-CG1 3.92Å; A37-V87 HydrophobicContact CB-CG2 3.83Å; A37-F91 HydrophobicContact CB-CE2 3.94Å
38A98.6Very high96.6Very high0 Ų030.8 Ų30.80%018%0.184CC..EExtended strand (participates in β ladder)trans-86.8120.3177.400000109.4A17 T49 V50 A68 A69 F70A17-A38 HydrophobicContact CB-CB 3.77Å; A38-T49 HydrophobicContact CB-CG2 4.28Å; A38-V50 HydrophobicContact CB-CG2 3.82Å; A38-A68 PolarHBondContact N-O 3.47Å; A38-A69 CarbonylContact O-C 3.42Å; A38-A69 VanDerWaalsContact O-CA 3.31Å; A38-A69 WeakPolarHBondContact O-CA 3.24Å; A38-F70 PolarHBondContact O-N 3.42Å
39C98.6Very high96.6Very high0 Ų027.9 Ų27.90%017%0.173CC..EExtended strand (participates in β ladder)trans-118.7135.3179.5-178.40000111L13 V14 T15 G16 A17 F70 L83L13-C39 HydrophobicContact CD1-CB 4.08Å; V14-C39 PolarHBondContact O-N 3.39Å; T15-C39 CarbonylContact C-O 3.5Å; T15-C39 WeakPolarHBondContact CA-O 3.46Å; T15-C39 HydrophobicContact CG2-CB 4.4Å; G16-C39 PolarHBondContact N-O 3.19Å; A17-C39 PolarHBondContact N-O 3.26Å; C39-F70 WeakPolarHBondContact CA-O 3.14Å; C39-F70 HydrophobicContact CB-CB 4.25Å; C39-L83 HydrophobicContact CB-CD1 4.05Å; C39-L83 HydrophobicContact CB-CD2 4.13Å; C39-L83 VanDerWaalsContact SG-CD2 3.54Å
40D98.6Very high96.5Very high30 Ų3028.8 Ų28.816%0.1618%0.179CC..EExtended strand (participates in β ladder)trans-145166.5170.4-153.8-76.5000110.7G16 A17 G18 D42 A46 F70 Q71 A72G16-D40 VanDerWaalsContact CA-OD2 3.27Å; G16-D40 WeakPolarHBondContact CA-OD2 3.09Å; A17-D40 PolarHBondContact N-OD2 3.05Å; G18-D40 WeakPolarHBondContact CA-OD2 3.39Å; G18-D40 PolarHBondContact N-OD2 3.21Å; D40-D42 VanDerWaalsContact C-N 3.27Å; D40-D42 PolarHBondContact OD1-N 2.78Å; D40-A46 HydrophobicContact CB-CB 4.01Å; D40-F70 PolarHBondContact N-O 3.17Å; D40-Q71 VanDerWaalsContact O-CA 3.32Å; D40-Q71 WeakPolarHBondContact O-CA 3.34Å; D40-A72 PolarHBondContact O-N 3.04Å; D40-A72 VanDerWaalsContact O-N 3.07Å
41L97.9Very high96.4Very high109 Ų10935.9 Ų35.957%0.57121%0.205SC*.SBendtrans-68.2-35.7169-178.366.9000110.1G43 Q71 D73L41-G43 PolarHBondContact O-N 3.26Å; L41-Q71 WeakPolarHBondContact O-CG 3.03Å; L41-Q71 PolarHBondContact O-NE2 2.97Å; L41-D73 HydrophobicContact CD1-CB 3.72Å
42D97.9Very high96.4Very high87 Ų8737.8 Ų37.847%0.46521%0.205SC..SBendtrans-88.699.3170.5-175.6-14.4000110.3D40 A44 A45 A46D40-D42 VanDerWaalsContact C-N 3.27Å; D40-D42 PolarHBondContact OD1-N 2.78Å; D42-A44 PolarHBondContact O-N 3.41Å; D42-A44 WeakPolarHBondContact OD1-CB 3.22Å; D42-A44 PolarHBondContact OD1-N 3.46Å; D42-A45 HydrophobicContact CB-CB 3.9Å; D42-A45 PolarHBondContact O-N 2.88Å; D42-A45 PolarHBondContact OD1-N 3.48Å; D42-A46 PolarHBondContact O-N 3.02Å; D42-A46 VanDerWaalsContact O-N 3.09Å
43G97Very high96.3Very high20 Ų2037.6 Ų37.621%0.20620%0.204CC..Hα-helixtrans-60.9-29179.700000113.9L41 Q47L41-G43 PolarHBondContact O-N 3.26Å; G43-Q47 WeakPolarHBondContact O-CB 3.32Å; G43-Q47 PolarHBondContact O-N 2.88Å
44A97.4Very high95.2Very high61 Ų6139.3 Ų39.350%0.50422%0.222SC..Hα-helixtrans-71.1-41.6177.200000110.9D42 A46 Q47 D48D42-A44 PolarHBondContact O-N 3.41Å; D42-A44 WeakPolarHBondContact OD1-CB 3.22Å; D42-A44 PolarHBondContact OD1-N 3.46Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.9Å; A44-Q47 WeakPolarHBondContact O-CB 3.35Å; A44-Q47 PolarHBondContact O-N 3.44Å; A44-Q47 VanDerWaalsContact O-N 3.17Å; A44-D48 PolarHBondContact O-N 3.33Å
45A97.8Very high93.2Very high16 Ų1643.9 Ų43.913%0.13225%0.254CS..Hα-helixtrans-63.6-38.517500000112.2D42 Q47 D48 T49D42-A45 HydrophobicContact CB-CB 3.9Å; D42-A45 PolarHBondContact O-N 2.88Å; D42-A45 PolarHBondContact OD1-N 3.48Å; A45-Q47 VanDerWaalsContact C-N 3.34Å; A45-D48 WeakPolarHBondContact O-CB 3.38Å; A45-D48 PolarHBondContact O-N 3.23Å; A45-T49 PolarHBondContact O-N 3.04Å; A45-T49 PolarHBondContact O-OG1 3.3Å
46A97.6Very high90.7Very high0 Ų045.2 Ų45.20%026%0.262CS..Hα-helixtrans-63.1-40.7172.700000111.9D40 D42 A44 T49 V50 A69D40-A46 HydrophobicContact CB-CB 4.01Å; D42-A46 PolarHBondContact O-N 3.02Å; D42-A46 VanDerWaalsContact O-N 3.09Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.9Å; A46-T49 WeakPolarHBondContact O-CB 3.43Å; A46-T49 PolarHBondContact O-N 3.32Å; A46-V50 PolarHBondContact O-N 3.1Å; A46-A69 HydrophobicContact CB-CB 4.07Å
47Q96.3Very high88.1Confident83 Ų8348.2 Ų48.239%0.38829%0.293SS..Hα-helixtrans-64.3-39.4175.8-170.466.936.200112.1G43 A44 A45 T49 V50 R51 A69G43-Q47 WeakPolarHBondContact O-CB 3.32Å; G43-Q47 PolarHBondContact O-N 2.88Å; A44-Q47 WeakPolarHBondContact O-CB 3.35Å; A44-Q47 PolarHBondContact O-N 3.44Å; A44-Q47 VanDerWaalsContact O-N 3.17Å; A45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-T49 VanDerWaalsContact C-N 3.35Å; Q47-V50 PolarHBondContact O-N 3.14Å; Q47-R51 WeakPolarHBondContact O-CG 3.49Å; Q47-R51 PolarHBondContact O-N 3.3Å; Q47-A69 HydrophobicContact CB-CB 4.26Å
48D95.9Very high85.3Confident68 Ų6853.7 Ų53.736%0.36433%0.331SS..Hα-helixtrans-59.1-45.9172.1-79.8-28.6000111.7A44 A45 V50 R51 L52A44-D48 PolarHBondContact O-N 3.33Å; A45-D48 WeakPolarHBondContact O-CB 3.38Å; A45-D48 PolarHBondContact O-N 3.23Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 PolarHBondContact O-N 3.04Å; D48-R51 WeakPolarHBondContact O-CB 3.47Å; D48-R51 PolarHBondContact O-N 2.92Å; D48-R51 IonicContact OD1-CZ 3.29Å; D48-R51 VanDerWaalsContact OD1-CZ 3.29Å; D48-R51 IonicContact OD1-NE 3.17Å; D48-R51 PolarHBondContact OD1-NE 3.35Å; D48-R51 IonicContact OD1-NH2 2.62Å; D48-R51 PolarHBondContact OD1-NH2 2.9Å; D48-L52 WeakPolarHBondContact O-CG 3.27Å; D48-L52 PolarHBondContact O-N 3.05Å
49T96.8Very high82.4Confident0 Ų062.3 Ų62.30%037%0.371CS..Hα-helixtrans-58-45.9175.4-67.40000111.2A17 R23 A38 A45 A46 Q47 R51 L52 L53A17-T49 WeakPolarHBondContact O-CB 3.48Å; A17-T49 WeakPolarHBondContact O-CG2 3.48Å; A17-T49 PolarHBondContact O-OG1 3.37Å; R23-T49 HydrophobicContact CB-CG2 4.44Å; R23-T49 HydrophobicContact CG-CG2 4.04Å; R23-T49 WeakPolarHBondContact CG-OG1 3.36Å; R23-T49 PolarHBondContact NE-OG1 2.8Å; A38-T49 HydrophobicContact CB-CG2 4.28Å; A45-T49 PolarHBondContact O-N 3.04Å; A45-T49 PolarHBondContact O-OG1 3.3Å; A46-T49 WeakPolarHBondContact O-CB 3.43Å; A46-T49 PolarHBondContact O-N 3.32Å; Q47-T49 VanDerWaalsContact C-N 3.35Å; T49-R51 VanDerWaalsContact C-N 3.31Å; T49-R51 PolarHBondContact O-N 3.34Å; T49-L52 WeakPolarHBondContact O-CB 3.39Å; T49-L52 PolarHBondContact O-N 3.02Å; T49-L53 WeakPolarHBondContact O-CG 3.45Å; T49-L53 PolarHBondContact O-N 3.13Å
50V95.8Very high79.7Confident19 Ų1970.4 Ų70.412%0.11542%0.415CS..Hα-helixtrans-60.5-37.7177.5169.50000112.6A38 A46 Q47 D48 L52 L53 H67 A69A38-V50 HydrophobicContact CB-CG2 3.82Å; A46-V50 PolarHBondContact O-N 3.1Å; Q47-V50 PolarHBondContact O-N 3.14Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 PolarHBondContact O-N 3.04Å; V50-L52 PolarHBondContact O-N 3.41Å; V50-L53 PolarHBondContact O-N 3.46Å; V50-H67 HydrophobicContact CG1-CB 4.04Å; V50-A69 HydrophobicContact CG2-CB 3.88Å
51R93.1Very high76.9Confident155 Ų15573 Ų7359%0.58545%0.449SS*.Hα-helixtrans-60.2-34.8174.9-74.4-173.7-91.3-106.74.2112.4Q47 D48 T49 L53Q47-R51 WeakPolarHBondContact O-CG 3.49Å; Q47-R51 PolarHBondContact O-N 3.3Å; D48-R51 WeakPolarHBondContact O-CB 3.47Å; D48-R51 PolarHBondContact O-N 2.92Å; D48-R51 IonicContact OD1-CZ 3.29Å; D48-R51 VanDerWaalsContact OD1-CZ 3.29Å; D48-R51 IonicContact OD1-NE 3.17Å; D48-R51 PolarHBondContact OD1-NE 3.35Å; D48-R51 IonicContact OD1-NH2 2.62Å; D48-R51 PolarHBondContact OD1-NH2 2.9Å; T49-R51 VanDerWaalsContact C-N 3.31Å; T49-R51 PolarHBondContact O-N 3.34Å; R51-L53 VanDerWaalsContact C-N 3.33Å
52L92.3Very high73.9Confident105 Ų10572.4 Ų72.455%0.5546%0.459SS..Hα-helixtrans-72.5-23.8179.2-62.9171.8000113.5R23 V27 D48 T49 V50 G54R23-L52 HydrophobicContact CG-CD1 4.31Å; V27-L52 HydrophobicContact CG2-CB 4.5Å; D48-L52 WeakPolarHBondContact O-CG 3.27Å; D48-L52 PolarHBondContact O-N 3.05Å; T49-L52 WeakPolarHBondContact O-CB 3.39Å; T49-L52 PolarHBondContact O-N 3.02Å; V50-L52 PolarHBondContact O-N 3.41Å; L52-G54 PolarHBondContact O-N 3.03Å
53L90.9Very high70.9Confident19 Ų1973.8 Ų73.810%0.09947%0.473CS..Hα-helixtrans-72-19.9-176.2-51.7-174.5000112.8S26 V27 A30 V36 T49 V50 R51 H67S26-L53 WeakPolarHBondContact O-CD2 3.46Å; V27-L53 VanDerWaalsContact CA-CD2 3.47Å; V27-L53 HydrophobicContact CB-CD2 4.25Å; V27-L53 HydrophobicContact CG2-CD2 3.79Å; A30-L53 HydrophobicContact CB-CB 4.04Å; A30-L53 HydrophobicContact CB-CD1 4.32Å; A30-L53 HydrophobicContact CB-CD2 4.02Å; A30-L53 HydrophobicContact CB-CG 4.33Å; V36-L53 HydrophobicContact CB-CD1 3.69Å; V36-L53 HydrophobicContact CG1-CD1 3.9Å; V36-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 WeakPolarHBondContact O-CG 3.45Å; T49-L53 PolarHBondContact O-N 3.13Å; V50-L53 PolarHBondContact O-N 3.46Å; R51-L53 VanDerWaalsContact C-N 3.33Å; L53-H67 HydrophobicContact CD1-CB 3.86Å
54G68.9Low68.4Low43 Ų4384.5 Ų84.544%0.44351%0.507SS..  trans60.5-171.2-176.200000113.2L52 H67L52-G54 PolarHBondContact O-N 3.03Å; G54-H67 PolarHBondContact O-CD2 3.29Å; G54-H67 VanDerWaalsContact O-CD2 3.23Å
55S53.7Low66.5Low96 Ų9684 Ų8467%0.67151%0.508SS*.  trans-103116.4165.8-690000107.8G57S55-G57 PolarHBondContact O-N 2.85Å
56P43.3Very low65.8Low39 Ų3988 Ų8825%0.25352%0.523SS..SBendtrans-67.6100.1171.8-9.520.1000108.7K66P56-K66 HydrophobicContact CB-CD 4.5Å; P56-K66 HydrophobicContact CG-CD 3.94Å; P56-K66 PolarHBondContact O-NZ 3.34Å
57G43.5Very low65.7Low62 Ų6288.8 Ų88.864%0.63953%0.526SS*.  trans63.793.2170.600000114.1S55 E59S55-G57 PolarHBondContact O-N 2.85Å; G57-E59 PolarHBondContact O-N 3.31Å
58S38.6Very low65.7Low115 Ų11585.8 Ų85.880%0.80452%0.516SS*.  trans-68.980.6152.952.90000108.5
59E38.6Very low65.8Low182 Ų18283.9 Ų83.985%0.8551%0.509SS*.  trans-92.5134.5145.6-74.9-169.2168.400106.9G57G57-E59 PolarHBondContact O-N 3.31Å
60D42.1Very low65.8Low170 Ų17085 Ų8591%0.90951%0.514SS*.SBendtrans-51.8129.2-159.6-65.8-55.4000114.9
61G40.5Very low66Low85 Ų8590.4 Ų90.488%0.87654%0.538SS*.  trans116.57.5147.200000120.1
62A33.7Very low66.2Low95 Ų9583.6 Ų83.679%0.78552%0.515SS*.  trans-106.6138.117300000113.1
63P35.7Very low66.5Low117 Ų11781.2 Ų81.276%0.7650%0.503SS*.  trans-84.3127.2-163.232.5-32.9000113.4
64R45.3Very low66.8Low244 Ų24480.8 Ų80.892%0.92150%0.501SS*.SBendtrans68.5140.4159.8-57.9-178.2179.2-143-1.1116.1
65G57.2Low68.1Low51 Ų5179.2 Ų79.253%0.52648%0.483SS..  trans-51141.3-159.400000116.3H67G65-H67 PolarHBondContact O-N 3.06Å
66K82.4Confident70.1Confident100 Ų10079.3 Ų79.344%0.43547%0.473SS..SBendtrans-64-4.6179.1-66.4-173.8-174.3161.50114.1A35 V36 P56A35-K66 CarbonylContact C-O 3.6Å; A35-K66 WeakPolarHBondContact CA-O 3.4Å; A35-K66 WeakPolarHBondContact CB-O 3.49Å; V36-K66 PolarHBondContact N-O 3.41Å; V36-K66 VanDerWaalsContact N-O 3.15Å; P56-K66 HydrophobicContact CB-CD 4.5Å; P56-K66 HydrophobicContact CG-CD 3.94Å; P56-K66 PolarHBondContact O-NZ 3.34Å
67H94.7Very high72.3Confident17 Ų1778.6 Ų78.68%0.07947%0.473CS..EExtended strand (participates in β ladder)trans-136.2146.6-173.2-45.5-72.1000110.9A34 V36 V50 L53 G54 G65A34-H67 PolarHBondContact O-CE1 3.06Å; V36-H67 WeakPolarHBondContact CB-ND1 3.25Å; V36-H67 PolarHBondContact N-ND1 3.11Å; V36-H67 VanDerWaalsContact N-ND1 3.13Å; V36-H67 CarbonylContact O-C 3.41Å; V36-H67 WeakPolarHBondContact O-CA 3.46Å; V36-H67 WeakPolarHBondContact O-CB 3.45Å; V50-H67 HydrophobicContact CG1-CB 4.04Å; L53-H67 HydrophobicContact CD1-CB 3.86Å; G54-H67 PolarHBondContact O-CD2 3.29Å; G54-H67 VanDerWaalsContact O-CD2 3.23Å; G65-H67 PolarHBondContact O-N 3.06Å
68A96.5Very high74.8Confident20 Ų2079.5 Ų79.517%0.16547%0.468CS..EExtended strand (participates in β ladder)trans-146.2148.2179.900000111.2V36 A37 A38 F70 F91V36-A68 PolarHBondContact O-N 2.76Å; A37-A68 CarbonylContact C-O 3.56Å; A37-A68 WeakPolarHBondContact CA-O 3.5Å; A38-A68 PolarHBondContact N-O 3.47Å; A68-F70 HydrophobicContact CB-CE2 3.77Å; A68-F70 HydrophobicContact CB-CZ 4.07Å; A68-F91 HydrophobicContact CB-CE2 3.91Å; A68-F91 HydrophobicContact CB-CZ 3.67Å
69A97.7Very high77.4Confident28 Ų2874.7 Ų74.723%0.23144%0.435CS..EExtended strand (participates in β ladder)trans-99.1143.617900000110.4A38 A46 Q47 V50A38-A69 CarbonylContact O-C 3.42Å; A38-A69 VanDerWaalsContact O-CA 3.31Å; A38-A69 WeakPolarHBondContact O-CA 3.24Å; A46-A69 HydrophobicContact CB-CB 4.07Å; Q47-A69 HydrophobicContact CB-CB 4.26Å; V50-A69 HydrophobicContact CG2-CB 3.88Å
70F98.3Very high79.8Confident24 Ų2466.1 Ų66.111%0.10540%0.395CS..EExtended strand (participates in β ladder)trans-132.8150.3177.3-60.3-93.9000109.6A37 A38 C39 D40 A68 L83 Q86 V87 C90 F91A37-F70 HydrophobicContact CB-CD2 3.92Å; A37-F70 HydrophobicContact CB-CE2 3.56Å; A38-F70 PolarHBondContact O-N 3.42Å; C39-F70 WeakPolarHBondContact CA-O 3.14Å; C39-F70 HydrophobicContact CB-CB 4.25Å; D40-F70 PolarHBondContact N-O 3.17Å; A68-F70 HydrophobicContact CB-CE2 3.77Å; A68-F70 HydrophobicContact CB-CZ 4.07Å; F70-L83 HydrophobicContact CB-CD1 3.56Å; F70-L83 HydrophobicContact CD1-CD1 4.32Å; F70-L83 HydrophobicContact CG-CD1 3.97Å; F70-Q86 HydrophobicContact CD1-CB 4.04Å; F70-Q86 HydrophobicContact CE1-CB 3.92Å; F70-V87 HydrophobicContact CD1-CG2 4.18Å; F70-V87 HydrophobicContact CD2-CG2 3.99Å; F70-V87 HydrophobicContact CE1-CG2 3.97Å; F70-V87 HydrophobicContact CE2-CG2 3.79Å; F70-V87 HydrophobicContact CG-CG2 4.2Å; F70-V87 HydrophobicContact CZ-CB 4.38Å; F70-V87 HydrophobicContact CZ-CG2 3.78Å; F70-C90 HydrophobicContact CE1-CB 4.33Å; F70-C90 HydrophobicContact CZ-CB 3.88Å; F70-F91 HydrophobicContact CE2-CE2 4.01Å; F70-F91 HydrophobicContact CZ-CE2 4.08Å
71Q98.3Very high82.3Confident131 Ų13165.1 Ų65.161%0.61238%0.378SS*.EExtended strand (participates in β ladder)trans-115.9122.4174.4-171.8-179.46.800109.6D40 L41D40-Q71 VanDerWaalsContact O-CA 3.32Å; D40-Q71 WeakPolarHBondContact O-CA 3.34Å; L41-Q71 WeakPolarHBondContact O-CG 3.03Å; L41-Q71 PolarHBondContact O-NE2 2.97Å
72A98.1Very high84.9Confident12 Ų1267.3 Ų67.310%0.09936%0.36CS..  trans-155142.6175.100000112.2D40 L83D40-A72 PolarHBondContact O-N 3.04Å; D40-A72 VanDerWaalsContact O-N 3.07Å; A72-L83 HydrophobicContact CB-CB 4.21Å; A72-L83 HydrophobicContact CB-CD1 4.4Å; A72-L83 HydrophobicContact CB-CD2 4.2Å
73D98.1Very high88Confident56 Ų5662.8 Ų62.830%0.29932%0.323SS..  trans-86.4107.5163.4-176.8-8.2000109.4L41 S75 Q76 A79L41-D73 HydrophobicContact CD1-CB 3.72Å; D73-S75 PolarHBondContact O-N 2.87Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 3.23Å; D73-S75 PolarHBondContact OD1-OG 3.39Å; D73-S75 PolarHBondContact OD2-OG 3.14Å; D73-S75 VanDerWaalsContact OD2-OG 3.07Å; D73-Q76 HydrophobicContact CB-CG 4.19Å; D73-Q76 PolarHBondContact O-N 2.86Å; D73-A79 WeakPolarHBondContact O-CB 3.44Å
74V97.7Very high90.9Very high9 Ų957.5 Ų57.56%0.05529%0.288CS..THydrogen-bonded Turntrans-65.2-19.5-178.9-62.40000113.3T15 Q76 A102 V124 G128 L131 V132T15-V74 HydrophobicContact CG2-CG1 4.06Å; V74-Q76 PolarHBondContact O-N 2.87Å; V74-A102 HydrophobicContact CG1-CB 4.44Å; V74-A102 HydrophobicContact CG2-CB 3.83Å; V74-V124 HydrophobicContact CG2-CG1 4.42Å; V74-G128 WeakPolarHBondContact O-CA 3.24Å; V74-L131 WeakPolarHBondContact O-CD1 3.32Å; V74-V132 HydrophobicContact CB-CG2 4.22Å; V74-V132 HydrophobicContact CG1-CG2 3.95Å
75S97.2Very high93.3Very high10 Ų1050.7 Ų50.77%0.0727%0.267CS..THydrogen-bonded Turntrans-71.1-13.9179.275.10000113.5D73 A123 K127D73-S75 PolarHBondContact O-N 2.87Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 3.23Å; D73-S75 PolarHBondContact OD1-OG 3.39Å; D73-S75 PolarHBondContact OD2-OG 3.14Å; D73-S75 VanDerWaalsContact OD2-OG 3.07Å; S75-A123 WeakPolarHBondContact CB-O 3.27Å; S75-K127 PolarHBondContact O-NZ 3.06Å
76Q95.4Very high95.2Very high98 Ų9853 Ų5346%0.45826%0.264SS..SBendtrans-102.5116.1-176.8-56.7-56.1-38.500111.2D73 V74 A79 A80D73-Q76 HydrophobicContact CB-CG 4.19Å; D73-Q76 PolarHBondContact O-N 2.86Å; V74-Q76 PolarHBondContact O-N 2.87Å; Q76-A79 HydrophobicContact CB-CB 3.89Å; Q76-A79 WeakPolarHBondContact O-CB 3.46Å; Q76-A79 PolarHBondContact O-N 2.87Å; Q76-A80 PolarHBondContact O-N 3.23Å
77G90Very high95.9Very high25 Ų2548.3 Ų48.326%0.25824%0.243SC..Hα-helixtrans-51.6-50-178.500000114.5A79 A80 R81G77-A79 VanDerWaalsContact C-N 3.27Å; G77-A79 PolarHBondContact O-N 2.96Å; G77-A80 PolarHBondContact O-N 3.38Å; G77-R81 PolarHBondContact O-N 2.66Å
78P95.2Very high96Very high81 Ų8150.5 Ų50.553%0.52625%0.254SS..Hα-helixtrans-62.1-31.5176.4-25.235.4000113.8R82P78-R82 WeakPolarHBondContact O-CB 3.47Å; P78-R82 WeakPolarHBondContact O-CG 3.49Å; P78-R82 PolarHBondContact O-N 2.69Å; P78-R82 VanDerWaalsContact O-N 3.14Å
79A92.5Very high96Very high13 Ų1353.3 Ų53.311%0.10728%0.277CS..Hα-helixtrans-73.7-42.1179.800000111.8D73 Q76 G77 R81 R82 L83D73-A79 WeakPolarHBondContact O-CB 3.44Å; Q76-A79 HydrophobicContact CB-CB 3.89Å; Q76-A79 WeakPolarHBondContact O-CB 3.46Å; Q76-A79 PolarHBondContact O-N 2.87Å; G77-A79 VanDerWaalsContact C-N 3.27Å; G77-A79 PolarHBondContact O-N 2.96Å; A79-R81 VanDerWaalsContact C-N 3.32Å; A79-R81 PolarHBondContact O-N 3.35Å; A79-R82 PolarHBondContact O-N 3.34Å; A79-L83 WeakPolarHBondContact O-CB 3.42Å; A79-L83 PolarHBondContact O-N 2.9Å
80A90.3Very high95.9Very high2 Ų255.4 Ų55.42%0.01729%0.289CS..Hα-helixtrans-60.7-40.3176.200000112.3Q76 G77 L84 L131 V132Q76-A80 PolarHBondContact O-N 3.23Å; G77-A80 PolarHBondContact O-N 3.38Å; A80-L84 PolarHBondContact O-N 3.32Å; A80-L131 HydrophobicContact CB-CB 3.77Å; A80-V132 HydrophobicContact CB-CG2 4.43Å
81R93Very high95.7Very high149 Ų14956 Ų5656%0.56229%0.292SS*.Hα-helixtrans-64.4-50.5174.5-175179.8-64.1171.60.9111.8G77 A79 L83 L84 E85G77-R81 PolarHBondContact O-N 2.66Å; A79-R81 VanDerWaalsContact C-N 3.32Å; A79-R81 PolarHBondContact O-N 3.35Å; R81-L83 VanDerWaalsContact C-N 3.26Å; R81-L83 PolarHBondContact O-N 2.97Å; R81-L84 PolarHBondContact O-N 2.85Å; R81-L84 VanDerWaalsContact O-N 3.14Å; R81-E85 WeakPolarHBondContact CG-OE1 3.44Å; R81-E85 PolarHBondContact O-N 3.16Å; R81-E85 VanDerWaalsContact O-N 3.12Å
82R96.7Very high95.6Very high131 Ų13155.2 Ų55.249%0.49430%0.3SS..Hα-helixtrans-59.5-36.2178.4-77.2-169.9-59.4-95.82.1112.6P78 A79 L84 E85 Q86P78-R82 WeakPolarHBondContact O-CB 3.47Å; P78-R82 WeakPolarHBondContact O-CG 3.49Å; P78-R82 PolarHBondContact O-N 2.69Å; P78-R82 VanDerWaalsContact O-N 3.14Å; A79-R82 PolarHBondContact O-N 3.34Å; R82-L84 PolarHBondContact O-N 3.34Å; R82-E85 PolarHBondContact O-N 3.36Å; R82-Q86 WeakPolarHBondContact O-CB 3.35Å; R82-Q86 VanDerWaalsContact O-CG 3.24Å; R82-Q86 WeakPolarHBondContact O-CG 3.24Å; R82-Q86 PolarHBondContact O-N 2.79Å
83L97.6Very high95.4Very high1 Ų159.3 Ų59.31%0.00531%0.313CS..Hα-helixtrans-56.7-49.7174.9172.763000111L13 T15 C39 F70 A72 A79 R81 E85 Q86 V87L13-L83 HydrophobicContact CD1-CD1 4.43Å; L13-L83 HydrophobicContact CD1-CD2 4.33Å; L13-L83 HydrophobicContact CD1-CG 4.47Å; L13-L83 HydrophobicContact CD2-CD2 4.27Å; L13-L83 HydrophobicContact CD2-CG 4.41Å; T15-L83 HydrophobicContact CG2-CD2 4.21Å; C39-L83 HydrophobicContact CB-CD1 4.05Å; C39-L83 HydrophobicContact CB-CD2 4.13Å; C39-L83 VanDerWaalsContact SG-CD2 3.54Å; F70-L83 HydrophobicContact CB-CD1 3.56Å; F70-L83 HydrophobicContact CD1-CD1 4.32Å; F70-L83 HydrophobicContact CG-CD1 3.97Å; A72-L83 HydrophobicContact CB-CB 4.21Å; A72-L83 HydrophobicContact CB-CD1 4.4Å; A72-L83 HydrophobicContact CB-CD2 4.2Å; A79-L83 WeakPolarHBondContact O-CB 3.42Å; A79-L83 PolarHBondContact O-N 2.9Å; R81-L83 VanDerWaalsContact C-N 3.26Å; R81-L83 PolarHBondContact O-N 2.97Å; L83-E85 PolarHBondContact O-N 2.82Å; L83-Q86 PolarHBondContact O-N 3.5Å; L83-V87 HydrophobicContact CD1-CG2 4.13Å; L83-V87 WeakPolarHBondContact O-CB 3.49Å; L83-V87 VanDerWaalsContact O-CG2 3.24Å; L83-V87 WeakPolarHBondContact O-CG2 3.27Å; L83-V87 PolarHBondContact O-N 3.09Å
84L96.2Very high95.4Very high5 Ų558 Ų583%0.02631%0.308CS..Hα-helixtrans-63.8-40.3178.9-91.3-63.4000112L13 A80 R81 R82 V87 Q88 P95 A135L13-L84 HydrophobicContact CD2-CD1 3.99Å; L13-L84 HydrophobicContact CD2-CD2 3.68Å; A80-L84 PolarHBondContact O-N 3.32Å; R81-L84 PolarHBondContact O-N 2.85Å; R81-L84 VanDerWaalsContact O-N 3.14Å; R82-L84 PolarHBondContact O-N 3.34Å; L84-V87 PolarHBondContact O-N 3.08Å; L84-Q88 WeakPolarHBondContact O-CB 3.37Å; L84-Q88 VanDerWaalsContact O-CG 3.27Å; L84-Q88 WeakPolarHBondContact O-CG 3.35Å; L84-Q88 PolarHBondContact O-N 3.25Å; L84-P95 HydrophobicContact CD1-CG 3.58Å; L84-A135 HydrophobicContact CB-CB 4.4Å; L84-A135 HydrophobicContact CD2-CB 3.94Å; L84-A135 HydrophobicContact CG-CB 3.91Å
85E96.6Very high95.4Very high102 Ų10257.6 Ų57.648%0.47731%0.305SS..Hα-helixtrans-61.3-45.1175.2-68.2166.4-179.600111.6R81 R82 L83 Q88 A89R81-E85 WeakPolarHBondContact CG-OE1 3.44Å; R81-E85 PolarHBondContact O-N 3.16Å; R81-E85 VanDerWaalsContact O-N 3.12Å; R82-E85 PolarHBondContact O-N 3.36Å; L83-E85 PolarHBondContact O-N 2.82Å; E85-Q88 PolarHBondContact O-N 2.81Å; E85-A89 WeakPolarHBondContact O-CB 3.32Å; E85-A89 PolarHBondContact O-N 3.37Å
86Q97.8Very high95.5Very high100 Ų10058.8 Ų58.847%0.46731%0.314SS..Hα-helixtrans-64.6-42.5177.7-74175-37.700112F70 R82 L83 A89 C90F70-Q86 HydrophobicContact CD1-CB 4.04Å; F70-Q86 HydrophobicContact CE1-CB 3.92Å; R82-Q86 WeakPolarHBondContact O-CB 3.35Å; R82-Q86 VanDerWaalsContact O-CG 3.24Å; R82-Q86 WeakPolarHBondContact O-CG 3.24Å; R82-Q86 PolarHBondContact O-N 2.79Å; L83-Q86 PolarHBondContact O-N 3.5Å; Q86-A89 PolarHBondContact O-N 2.95Å; Q86-C90 VanDerWaalsContact O-CB 3.22Å; Q86-C90 WeakPolarHBondContact O-CB 3.24Å; Q86-C90 PolarHBondContact O-N 2.87Å
87V97.3Very high95.6Very high0 Ų054.3 Ų54.30%029%0.293CS..Hα-helixtrans-62.3-47.1175.4170.50000110.2L11 L13 A37 F70 L83 L84 A89 C90 F91 P95L11-V87 HydrophobicContact CD2-CG1 4.07Å; L13-V87 HydrophobicContact CD1-CG2 4.13Å; A37-V87 HydrophobicContact CB-CG1 3.92Å; A37-V87 HydrophobicContact CB-CG2 3.83Å; F70-V87 HydrophobicContact CD1-CG2 4.18Å; F70-V87 HydrophobicContact CD2-CG2 3.99Å; F70-V87 HydrophobicContact CE1-CG2 3.97Å; F70-V87 HydrophobicContact CE2-CG2 3.79Å; F70-V87 HydrophobicContact CG-CG2 4.2Å; F70-V87 HydrophobicContact CZ-CB 4.38Å; F70-V87 HydrophobicContact CZ-CG2 3.78Å; L83-V87 HydrophobicContact CD1-CG2 4.13Å; L83-V87 WeakPolarHBondContact O-CB 3.49Å; L83-V87 VanDerWaalsContact O-CG2 3.24Å; L83-V87 WeakPolarHBondContact O-CG2 3.27Å; L83-V87 PolarHBondContact O-N 3.09Å; L84-V87 PolarHBondContact O-N 3.08Å; V87-A89 PolarHBondContact O-N 3.19Å; V87-C90 PolarHBondContact O-N 3.2Å; V87-F91 HydrophobicContact CG1-CD2 4.12Å; V87-F91 WeakPolarHBondContact O-CD2 3.39Å; V87-F91 PolarHBondContact O-N 3.43Å; V87-P95 HydrophobicContact CG1-CG 4.5Å
88Q95.8Very high96Very high64 Ų6453.1 Ų53.130%0.29928%0.281SS..Hα-helixtrans-60.8-44.1177.4-78.3173.122.100112.6L84 E85 C90 S92 R93 P94L84-Q88 WeakPolarHBondContact O-CB 3.37Å; L84-Q88 VanDerWaalsContact O-CG 3.27Å; L84-Q88 WeakPolarHBondContact O-CG 3.35Å; L84-Q88 PolarHBondContact O-N 3.25Å; E85-Q88 PolarHBondContact O-N 2.81Å; Q88-C90 VanDerWaalsContact C-N 3.34Å; Q88-S92 WeakPolarHBondContact O-CA 3.39Å; Q88-S92 PolarHBondContact O-N 3.5Å; Q88-R93 PolarHBondContact O-N 2.9Å; Q88-P94 HydrophobicContact CG-CB 4.1Å
89A96.1Very high96.2Very high78 Ų7849.2 Ų49.265%0.64526%0.256SS*.Hα-helixtrans-63.8-41.417700000111.6E85 Q86 V87E85-A89 WeakPolarHBondContact O-CB 3.32Å; E85-A89 PolarHBondContact O-N 3.37Å; Q86-A89 PolarHBondContact O-N 2.95Å; V87-A89 PolarHBondContact O-N 3.19Å
90C95.6Very high96.5Very high73 Ų7348.7 Ų48.749%0.49325%0.251SS..Hα-helixtrans-66.9-41.9-179.2-177.90000112.7F70 Q86 V87 Q88F70-C90 HydrophobicContact CE1-CB 4.33Å; F70-C90 HydrophobicContact CZ-CB 3.88Å; Q86-C90 VanDerWaalsContact O-CB 3.22Å; Q86-C90 WeakPolarHBondContact O-CB 3.24Å; Q86-C90 PolarHBondContact O-N 2.87Å; V87-C90 PolarHBondContact O-N 3.2Å; Q88-C90 VanDerWaalsContact C-N 3.34Å
91F94.9Very high96.9Very high37 Ų3749.4 Ų49.416%0.16226%0.256CS..Hα-helixtrans-104.10.1-174.9-67.7-82.7000114.3L11 A35 A37 A68 F70 V87 R93L11-F91 HydrophobicContact CD1-CB 4.19Å; L11-F91 HydrophobicContact CD1-CD1 3.78Å; L11-F91 HydrophobicContact CD1-CD2 3.77Å; L11-F91 HydrophobicContact CD1-CE1 4.04Å; L11-F91 HydrophobicContact CD1-CE2 4.04Å; L11-F91 HydrophobicContact CD1-CG 3.63Å; L11-F91 HydrophobicContact CD1-CZ 4.16Å; L11-F91 HydrophobicContact CD2-CB 3.53Å; L11-F91 HydrophobicContact CD2-CD2 4.09Å; L11-F91 HydrophobicContact CD2-CG 3.87Å; L11-F91 HydrophobicContact CG-CG 4.42Å; A35-F91 HydrophobicContact CB-CD1 4.4Å; A35-F91 HydrophobicContact CB-CE1 4.23Å; A37-F91 HydrophobicContact CB-CE2 3.94Å; A68-F91 HydrophobicContact CB-CE2 3.91Å; A68-F91 HydrophobicContact CB-CZ 3.67Å; F70-F91 HydrophobicContact CE2-CE2 4.01Å; F70-F91 HydrophobicContact CZ-CE2 4.08Å; V87-F91 HydrophobicContact CG1-CD2 4.12Å; V87-F91 WeakPolarHBondContact O-CD2 3.39Å; V87-F91 PolarHBondContact O-N 3.43Å; F91-R93 HydrophobicContact CB-CG 4.41Å; F91-R93 PolarHBondContact O-N 2.95Å; F91-R93 VanDerWaalsContact O-N 3.15Å
92S95.2Very high97.1Very high113 Ų11343.1 Ų43.179%0.7924%0.236SC*.THydrogen-bonded Turntrans56.522.4-176.6-55.30000114.8Q88Q88-S92 WeakPolarHBondContact O-CA 3.39Å; Q88-S92 PolarHBondContact O-N 3.5Å
93R95.2Very high97.1Very high98 Ų9838.1 Ų38.137%0.3723%0.225SC..SBendtrans-160.8152.6178.465.9-170.2179.8157.16.1111.2S9 A10 L11 Q88 F91S9-R93 PolarHBondContact O-NH1 2.92Å; S9-R93 PolarHBondContact O-NH2 3.29Å; A10-R93 PolarHBondContact O-NH2 2.93Å; A10-R93 VanDerWaalsContact O-NH2 3.17Å; L11-R93 HydrophobicContact CB-CG 4.47Å; L11-R93 HydrophobicContact CD2-CG 3.87Å; L11-R93 VanDerWaalsContact CD2-O 3.31Å; L11-R93 WeakPolarHBondContact CD2-O 3.43Å; Q88-R93 PolarHBondContact O-N 2.9Å; F91-R93 HydrophobicContact CB-CG 4.41Å; F91-R93 PolarHBondContact O-N 2.95Å; F91-R93 VanDerWaalsContact O-N 3.15Å
94P97.1Very high97.1Very high29 Ų2940.1 Ų40.119%0.18824%0.235CC..  trans-70.5153.1172.430-33.9000111.8Q88 S96 A139 S143Q88-P94 HydrophobicContact CG-CB 4.1Å; P94-S96 PolarHBondContact O-N 3.47Å; P94-A139 HydrophobicContact CB-CB 4.08Å; P94-S143 WeakPolarHBondContact CG-OG 3.22Å
95P97.9Very high97.1Very high0 Ų041.8 Ų41.80%025%0.245CC..  trans-67.6124.2174.428.3-33.3000110.4L11 L13 L84 V87 V97 V98 L140L11-P95 HydrophobicContact CD2-CB 4.37Å; L11-P95 HydrophobicContact CG-CB 4.13Å; L11-P95 CarbonylContact O-C 3.51Å; L11-P95 VanDerWaalsContact O-CA 3.24Å; L11-P95 WeakPolarHBondContact O-CA 3.41Å; L11-P95 WeakPolarHBondContact O-CB 3.39Å; L13-P95 HydrophobicContact CB-CB 3.91Å; L13-P95 HydrophobicContact CB-CG 4.06Å; L84-P95 HydrophobicContact CD1-CG 3.58Å; V87-P95 HydrophobicContact CG1-CG 4.5Å; P95-V97 VanDerWaalsContact C-N 3.34Å; P95-V98 HydrophobicContact CB-CG2 3.93Å; P95-V98 HydrophobicContact CG-CG2 3.75Å; P95-L140 WeakPolarHBondContact O-CD2 3.47Å
96S98.4Very high97.1Very high35 Ų3541.9 Ų41.925%0.24524%0.241CC..SBendtrans-82.2-15.5173.6610000112.7A10 L11 P94 G147 S148A10-S96 WeakPolarHBondContact CA-OG 3.36Å; L11-S96 PolarHBondContact N-OG 3.28Å; L11-S96 PolarHBondContact O-N 3.32Å; P94-S96 PolarHBondContact O-N 3.47Å; S96-G147 CarbonylContact O-C 3.56Å; S96-G147 WeakPolarHBondContact O-CA 3.29Å; S96-S148 PolarHBondContact O-N 3.48Å
97V98.8Very high97Very high4 Ų441.3 Ų41.32%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-123.9127.3172.4176.50000108.2A10 L11 A12 L13 L29 P95 V99 S148 I150 A239A10-V97 HydrophobicContact CB-CG2 4.19Å; L11-V97 PolarHBondContact O-N 2.85Å; A12-V97 CarbonylContact C-O 3.53Å; A12-V97 VanDerWaalsContact CA-O 3.24Å; A12-V97 WeakPolarHBondContact CA-O 3.36Å; A12-V97 HydrophobicContact CB-CB 4.08Å; A12-V97 HydrophobicContact CB-CG1 4.21Å; L13-V97 PolarHBondContact N-O 3.3Å; L29-V97 HydrophobicContact CD1-CG1 4.36Å; P95-V97 VanDerWaalsContact C-N 3.34Å; V97-V99 HydrophobicContact CG1-CG2 4.19Å; V97-S148 WeakPolarHBondContact CA-O 3.4Å; V97-I150 HydrophobicContact CG1-CD1 4.06Å; V97-A239 HydrophobicContact CG1-CB 3.71Å; V97-A239 HydrophobicContact CG2-CB 3.95Å
98V98.9Very high96.9Very high0 Ų044.8 Ų44.80%026%0.258CS..EExtended strand (participates in β ladder)trans-129.5124.1176.3-178.50000109.6L13 P95 V132 A136 S148 I149 I150L13-V98 HydrophobicContact CB-CG2 4.33Å; L13-V98 HydrophobicContact CD2-CG1 4.42Å; L13-V98 CarbonylContact O-C 3.56Å; L13-V98 WeakPolarHBondContact O-CA 3.48Å; P95-V98 HydrophobicContact CB-CG2 3.93Å; P95-V98 HydrophobicContact CG-CG2 3.75Å; V98-V132 HydrophobicContact CG1-CG1 3.76Å; V98-A136 HydrophobicContact CB-CB 4.14Å; V98-A136 HydrophobicContact CG1-CB 4.09Å; V98-A136 HydrophobicContact CG2-CB 3.65Å; V98-S148 PolarHBondContact N-O 3.12Å; V98-I149 CarbonylContact O-C 3.45Å; V98-I149 WeakPolarHBondContact O-CA 3.26Å; V98-I150 PolarHBondContact O-N 2.78Å
99V98.9Very high97Very high0 Ų047.7 Ų47.70%027%0.27CS..EExtended strand (participates in β ladder)trans-117.6113-179.9-1700000110.2L13 V14 T15 I25 L29 V97 C101 I150 I152 V235L13-V99 PolarHBondContact O-N 2.82Å; V14-V99 HydrophobicContact CG1-CB 4.31Å; V14-V99 HydrophobicContact CG2-CB 4.29Å; V14-V99 HydrophobicContact CG2-CG2 4.4Å; T15-V99 PolarHBondContact N-O 3.04Å; I25-V99 HydrophobicContact CD1-CG1 4.06Å; I25-V99 HydrophobicContact CG2-CB 4.46Å; I25-V99 HydrophobicContact CG2-CG1 4.27Å; I25-V99 HydrophobicContact CG2-CG2 4.18Å; L29-V99 HydrophobicContact CD1-CG2 4.24Å; V97-V99 HydrophobicContact CG1-CG2 4.19Å; V99-C101 HydrophobicContact CG1-CB 4.44Å; V99-C101 PolarHBondContact O-N 3.33Å; V99-I150 CarbonylContact C-O 3.58Å; V99-I150 VanDerWaalsContact CA-O 3.26Å; V99-I150 WeakPolarHBondContact CA-O 3.5Å; V99-I150 HydrophobicContact CG2-CB 4.41Å; V99-I150 HydrophobicContact CG2-CD1 4.28Å; V99-I152 HydrophobicContact CG1-CD1 4.16Å; V99-I152 HydrophobicContact CG1-CG1 4.1Å; V99-V235 HydrophobicContact CG1-CG1 4.23Å; V99-V235 HydrophobicContact CG2-CG1 3.77Å
100S98.8Very high97.1Very high1 Ų149.6 Ų49.61%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-89.593.4174.7-57.20000109.6T15 I150 N151 I152T15-S100 WeakPolarHBondContact OG1-CA 3.13Å; S100-I150 PolarHBondContact N-O 3.48Å; S100-N151 WeakPolarHBondContact CB-OD1 3.45Å; S100-N151 PolarHBondContact OG-OD1 3.43Å; S100-I152 WeakPolarHBondContact O-CB 3.48Å; S100-I152 PolarHBondContact O-N 3.05Å
101C98.6Very high97.2Very high18 Ų1853.5 Ų53.512%0.12228%0.284CS..  trans-111.4-8.4-178.9-169.10000113.6T15 V99 G103 I152T15-C101 CarbonylContact O-C 3.43Å; T15-C101 VanDerWaalsContact O-CA 3.31Å; T15-C101 WeakPolarHBondContact O-CA 3.15Å; T15-C101 WeakPolarHBondContact O-CB 3.45Å; T15-C101 PolarHBondContact O-N 2.88Å; T15-C101 VanDerWaalsContact O-N 3.14Å; T15-C101 PolarHBondContact OG1-N 3.35Å; V99-C101 HydrophobicContact CG1-CB 4.44Å; V99-C101 PolarHBondContact O-N 3.33Å; C101-G103 PolarHBondContact O-N 2.9Å; C101-I152 HydrophobicContact CB-CB 4.38Å; C101-I152 HydrophobicContact CB-CG1 3.75Å
102A97.4Very high97.4Very high16 Ų1658.1 Ų58.113%0.13231%0.305CS..  trans-57.9132.6174.300000111.2T15 V74T15-A102 PolarHBondContact O-N 3.02Å; T15-A102 VanDerWaalsContact O-N 3.14Å; V74-A102 HydrophobicContact CG1-CB 4.44Å; V74-A102 HydrophobicContact CG2-CB 3.83Å
103G97.1Very high97.5Very high26 Ų2654.3 Ų54.327%0.26828%0.276SS..  trans-172.3153178.500000113.2C101 N125C101-G103 PolarHBondContact O-N 2.9Å; G103-N125 WeakPolarHBondContact CA-OD1 3.41Å
104I97.3Very high97.7Very high44 Ų4451.8 Ų51.823%0.22627%0.273CS..  trans-135.1163.618060.1167.5000111R120 V121 V124 N125 Y167I104-R120 HydrophobicContact CD1-CG 3.68Å; I104-V121 HydrophobicContact CD1-CG2 4.34Å; I104-V121 HydrophobicContact CG1-CG2 4.28Å; I104-V124 HydrophobicContact CD1-CB 4.16Å; I104-V124 HydrophobicContact CD1-CG2 3.91Å; I104-V124 HydrophobicContact CG1-CB 4.02Å; I104-V124 HydrophobicContact CG1-CG1 4.2Å; I104-V124 HydrophobicContact CG1-CG2 4.29Å; I104-V124 HydrophobicContact CG2-CG1 4.39Å; I104-N125 PolarHBondContact N-OD1 3.31Å; I104-N125 PolarHBondContact O-ND2 3.28Å; I104-N125 PolarHBondContact O-OD1 2.85Å; I104-Y167 WeakPolarHBondContact O-CD2 3.36Å
105T95.2Very high97.7Very high39 Ų3958.3 Ų58.324%0.23930%0.301CS..  trans-123.7148.7170.556.20000110.5Y167 M204T105-Y167 HydrophobicContact CG2-CD2 3.63Å; T105-Y167 HydrophobicContact CG2-CE2 3.71Å; T105-Y167 HydrophobicContact CG2-CG 4.21Å; T105-M204 HydrophobicContact CG2-SD 3.99Å
106R96.2Very high97.8Very high104 Ų10464 Ų6439%0.39233%0.327SS..  trans-144.977.5170.6-71.7-64.4-176.7-86.32.4106.3D117 V121 N166R106-D117 HydrophobicContact CB-CB 3.8Å; R106-D117 WeakPolarHBondContact CD-OD1 3.34Å; R106-D117 HydrophobicContact CG-CB 4.18Å; R106-D117 WeakPolarHBondContact CG-OD1 3.35Å; R106-D117 IonicContact NE-OD1 2.7Å; R106-V121 HydrophobicContact CB-CG2 3.85Å; R106-V121 HydrophobicContact CG-CG2 3.99Å; R106-N166 PolarHBondContact O-ND2 3.1Å
107D95.6Very high97.8Very high88 Ų8864.5 Ų64.547%0.47133%0.327SS..  trans-77.8128.4-171.4-61.5-10.9000109.4G163 Q164D107-G163 CarbonylContact C-O 3.49Å; D107-G163 VanDerWaalsContact CA-O 3.22Å; D107-G163 WeakPolarHBondContact CA-O 3.5Å; D107-Q164 PolarHBondContact OD1-NE2 3.37Å; D107-Q164 PolarHBondContact OD2-NE2 2.75Å
108E96.9Very high97.8Very high73 Ų7368.4 Ų68.434%0.34134%0.342SS..BIsolated β-bridgetrans-159.2150176.7-177.152-9500108.7H112 M113 G163E108-H112 HydrophobicContact CG-CB 3.71Å; E108-M113 HydrophobicContact CB-CE 3.84Å; E108-M113 HydrophobicContact CB-SD 4.22Å; E108-M113 VanDerWaalsContact O-CE 3.25Å; E108-M113 WeakPolarHBondContact O-CE 3.36Å; E108-G163 PolarHBondContact N-O 2.94Å; E108-G163 CarbonylContact O-C 3.28Å; E108-G163 VanDerWaalsContact O-C 3.28Å; E108-G163 VanDerWaalsContact O-CA 3.25Å; E108-G163 WeakPolarHBondContact O-CA 3.42Å
109F97.3Very high97.8Very high125 Ų12573 Ų7355%0.54837%0.367SS..  trans-61.9147.1173-72.6-70.7000111.2L111 H112 M113 I162F109-L111 PolarHBondContact O-N 2.97Å; F109-H112 PolarHBondContact O-N 3.07Å; F109-M113 PolarHBondContact O-N 3.02Å; F109-I162 HydrophobicContact CD1-CG2 4.12Å; F109-I162 HydrophobicContact CE1-CG2 3.43Å; F109-I162 VanDerWaalsContact CE1-CG2 3.43Å; F109-I162 HydrophobicContact CZ-CG2 4.29Å
110L97.7Very high97.7Very high119 Ų11978.3 Ų78.362%0.62339%0.386SS*.THydrogen-bonded Turntrans-51.2-38.8-176.8178.463.8000113.4H112 T165L110-H112 PolarHBondContact O-N 2.88Å; L110-T165 HydrophobicContact CD1-CG2 4.01Å
111L98Very high97.7Very high155 Ų15578.2 Ų78.281%0.81239%0.386SS*.THydrogen-bonded Turntrans-70.9-12.8-178-59.9-179.8000113.9F109F109-L111 PolarHBondContact O-N 2.97Å
112H98.1Very high97.7Very high133 Ų13379.2 Ų79.262%0.61639%0.39SS*.THydrogen-bonded Turntrans-124.5-4.9-175.3-56.6-35.6000112.9E108 F109 L110 S114E108-H112 HydrophobicContact CG-CB 3.71Å; F109-H112 PolarHBondContact O-N 3.07Å; L110-H112 PolarHBondContact O-N 2.88Å; H112-S114 PolarHBondContact O-N 3.28Å; H112-S114 VanDerWaalsContact O-N 3.17Å
113M98.4Very high97.8Very high33 Ų3379.7 Ų79.716%0.16339%0.393CS..  trans-58.8118.7178.3-17566.565.200110.2E108 F109 D117 W118 N166E108-M113 HydrophobicContact CB-CE 3.84Å; E108-M113 HydrophobicContact CB-SD 4.22Å; E108-M113 VanDerWaalsContact O-CE 3.25Å; E108-M113 WeakPolarHBondContact O-CE 3.36Å; F109-M113 PolarHBondContact O-N 3.02Å; M113-D117 HydrophobicContact SD-CB 4.1Å; M113-W118 HydrophobicContact CG-CB 4.45Å; M113-N166 HydrophobicContact CE-CB 4.4Å; M113-N166 HydrophobicContact SD-CB 4.42Å; M113-N166 PolarHBondContact SD-ND2 2.96Å
114S98.6Very high97.9Very high45 Ų4579.5 Ų79.532%0.31539%0.387SS..  trans-73.4148.5173.777.50000110.7H112 E116 D117 W118H112-S114 PolarHBondContact O-N 3.28Å; H112-S114 VanDerWaalsContact O-N 3.17Å; S114-E116 PolarHBondContact O-N 3.14Å; S114-D117 PolarHBondContact O-N 3.06Å; S114-D117 WeakPolarHBondContact OG-CB 3.16Å; S114-D117 VanDerWaalsContact OG-CG 3.3Å; S114-D117 PolarHBondContact OG-N 3.03Å; S114-D117 PolarHBondContact OG-OD2 2.72Å; S114-W118 PolarHBondContact O-N 3.38Å
115E98.6Very high98Very high166 Ų16677.4 Ų77.478%0.77638%0.376SS*.Hα-helixtrans-61.5-33.9172.5-68.7-177.1-17800111.5W118 D119E115-W118 WeakPolarHBondContact O-CB 3.24Å; E115-W118 PolarHBondContact O-N 3.41Å; E115-D119 VanDerWaalsContact O-CB 3.31Å; E115-D119 WeakPolarHBondContact O-CB 3.33Å; E115-D119 PolarHBondContact O-N 2.92Å
116E98.6Very high98.1Very high119 Ų11977.7 Ų77.756%0.55638%0.376SS*.Hα-helixtrans-63.2-46177.1-174.1-174.2164.500112S114 D119 R120S114-E116 PolarHBondContact O-N 3.14Å; E116-D119 PolarHBondContact O-N 2.97Å; E116-R120 WeakPolarHBondContact O-CB 3.41Å; E116-R120 PolarHBondContact O-N 2.81Å; E116-R120 IonicContact OE1-CZ 3.48Å; E116-R120 IonicContact OE1-NH1 3.6Å; E116-R120 PolarHBondContact OE1-NH1 3.12Å; E116-R120 IonicContact OE1-NH2 3.7Å; E116-R120 PolarHBondContact OE1-NH2 3.08Å; E116-R120 VanDerWaalsContact OE1-NH2 3.14Å
117D98.4Very high98.3Very high46 Ų4677.3 Ų77.325%0.24638%0.377CS..Hα-helixtrans-68-37.9178.5-75.4-45.4000111.7R106 M113 S114 V121R106-D117 HydrophobicContact CB-CB 3.8Å; R106-D117 WeakPolarHBondContact CD-OD1 3.34Å; R106-D117 HydrophobicContact CG-CB 4.18Å; R106-D117 WeakPolarHBondContact CG-OD1 3.35Å; R106-D117 IonicContact NE-OD1 2.7Å; M113-D117 HydrophobicContact SD-CB 4.1Å; S114-D117 PolarHBondContact O-N 3.06Å; S114-D117 WeakPolarHBondContact OG-CB 3.16Å; S114-D117 VanDerWaalsContact OG-CG 3.3Å; S114-D117 PolarHBondContact OG-N 3.03Å; S114-D117 PolarHBondContact OG-OD2 2.72Å; D117-V121 WeakPolarHBondContact O-CG2 3.43Å; D117-V121 PolarHBondContact O-N 2.76Å; D117-V121 VanDerWaalsContact O-N 3.15Å
118W98.6Very high98.4Very high87 Ų8773.2 Ų73.233%0.3336%0.356SS..Hα-helixtrans-56.9-57.4170.5174.2-88000111M113 S114 E115 R120 V121 I122 T165 N166M113-W118 HydrophobicContact CG-CB 4.45Å; S114-W118 PolarHBondContact O-N 3.38Å; E115-W118 WeakPolarHBondContact O-CB 3.24Å; E115-W118 PolarHBondContact O-N 3.41Å; W118-R120 VanDerWaalsContact C-N 3.32Å; W118-R120 PolarHBondContact O-N 3.38Å; W118-V121 PolarHBondContact O-N 3.04Å; W118-I122 HydrophobicContact CD2-CG1 4.41Å; W118-I122 HydrophobicContact CZ2-CD1 4.26Å; W118-I122 HydrophobicContact CZ2-CG1 4.31Å; W118-I122 WeakPolarHBondContact O-CG1 3.45Å; W118-I122 PolarHBondContact O-N 3Å; W118-T165 HydrophobicContact CZ3-CG2 3.87Å; W118-N166 HydrophobicContact CD2-CB 4.31Å; W118-N166 HydrophobicContact CE3-CB 3.67Å; W118-N166 HydrophobicContact CZ3-CB 4.18Å
119D98.8Very high98.5Very high97 Ų9770 Ų7052%0.51934%0.341SS..Hα-helixtrans-61.2-41.3-176.4-81.1-11.5000111.7E115 E116 V121 I122 A123E115-D119 VanDerWaalsContact O-CB 3.31Å; E115-D119 WeakPolarHBondContact O-CB 3.33Å; E115-D119 PolarHBondContact O-N 2.92Å; E116-D119 PolarHBondContact O-N 2.97Å; D119-V121 PolarHBondContact O-N 2.99Å; D119-I122 PolarHBondContact O-N 3.44Å; D119-A123 WeakPolarHBondContact O-CB 3.26Å; D119-A123 PolarHBondContact O-N 3.3Å
120R98.6Very high98.6Very high110 Ų11068 Ų6842%0.41533%0.332SS..Hα-helixtrans-63.4-43.6179.3-176.5167.2-79.8134.41.6111.4I104 E116 W118 A123 V124I104-R120 HydrophobicContact CD1-CG 3.68Å; E116-R120 WeakPolarHBondContact O-CB 3.41Å; E116-R120 PolarHBondContact O-N 2.81Å; E116-R120 IonicContact OE1-CZ 3.48Å; E116-R120 IonicContact OE1-NH1 3.6Å; E116-R120 PolarHBondContact OE1-NH1 3.12Å; E116-R120 IonicContact OE1-NH2 3.7Å; E116-R120 PolarHBondContact OE1-NH2 3.08Å; E116-R120 VanDerWaalsContact OE1-NH2 3.14Å; W118-R120 VanDerWaalsContact C-N 3.32Å; W118-R120 PolarHBondContact O-N 3.38Å; R120-A123 PolarHBondContact O-N 2.95Å; R120-V124 WeakPolarHBondContact O-CG2 3.45Å; R120-V124 PolarHBondContact O-N 2.79Å; R120-V124 VanDerWaalsContact O-N 3.16Å
121V98.8Very high98.6Very high0 Ų063.3 Ų63.30%031%0.308CS..Hα-helixtrans-65.7-44.5176.7169.80000111.2I104 R106 D117 W118 D119 N125 N166I104-V121 HydrophobicContact CD1-CG2 4.34Å; I104-V121 HydrophobicContact CG1-CG2 4.28Å; R106-V121 HydrophobicContact CB-CG2 3.85Å; R106-V121 HydrophobicContact CG-CG2 3.99Å; D117-V121 WeakPolarHBondContact O-CG2 3.43Å; D117-V121 PolarHBondContact O-N 2.76Å; D117-V121 VanDerWaalsContact O-N 3.15Å; W118-V121 PolarHBondContact O-N 3.04Å; D119-V121 PolarHBondContact O-N 2.99Å; V121-N125 WeakPolarHBondContact O-CB 3.37Å; V121-N125 PolarHBondContact O-N 2.97Å; V121-N166 HydrophobicContact CB-CB 4.05Å; V121-N166 HydrophobicContact CG1-CB 4.02Å; V121-N166 HydrophobicContact CG2-CB 4.48Å
122I98.8Very high98.7Very high39 Ų3956 Ų5620%0.227%0.269CS..Hα-helixtrans-63.5-42.7177.3-65.3-64.5000111.4W118 D119 V124 L126 K127W118-I122 HydrophobicContact CD2-CG1 4.41Å; W118-I122 HydrophobicContact CZ2-CD1 4.26Å; W118-I122 HydrophobicContact CZ2-CG1 4.31Å; W118-I122 WeakPolarHBondContact O-CG1 3.45Å; W118-I122 PolarHBondContact O-N 3Å; D119-I122 PolarHBondContact O-N 3.44Å; I122-V124 PolarHBondContact O-N 2.8Å; I122-L126 WeakPolarHBondContact O-CB 3.46Å; I122-L126 PolarHBondContact O-N 2.97Å; I122-L126 VanDerWaalsContact O-N 3.08Å; I122-K127 PolarHBondContact O-N 3.14Å
123A98.7Very high98.7Very high25 Ų2549.9 Ų49.921%0.20724%0.242CC..Iπ-helixtrans-62.1-42-178.500000112.3S75 D119 R120 K127 G128S75-A123 WeakPolarHBondContact CB-O 3.27Å; D119-A123 WeakPolarHBondContact O-CB 3.26Å; D119-A123 PolarHBondContact O-N 3.3Å; R120-A123 PolarHBondContact O-N 2.95Å; A123-K127 WeakPolarHBondContact O-CB 3.31Å; A123-G128 PolarHBondContact O-N 2.96Å
124V98.7Very high98.7Very high23 Ų2352.1 Ų52.114%0.13925%0.252CS..Iπ-helixtrans-79.8-55.9178.7176.60000111V74 I104 R120 I122 G128V74-V124 HydrophobicContact CG2-CG1 4.42Å; I104-V124 HydrophobicContact CD1-CB 4.16Å; I104-V124 HydrophobicContact CD1-CG2 3.91Å; I104-V124 HydrophobicContact CG1-CB 4.02Å; I104-V124 HydrophobicContact CG1-CG1 4.2Å; I104-V124 HydrophobicContact CG1-CG2 4.29Å; I104-V124 HydrophobicContact CG2-CG1 4.39Å; R120-V124 WeakPolarHBondContact O-CG2 3.45Å; R120-V124 PolarHBondContact O-N 2.79Å; R120-V124 VanDerWaalsContact O-N 3.16Å; I122-V124 PolarHBondContact O-N 2.8Å; V124-G128 WeakPolarHBondContact O-CA 3.45Å; V124-G128 PolarHBondContact O-N 3.39Å
125N98.8Very high98.7Very high0 Ų050.5 Ų50.50%024%0.241CC..Iπ-helixtrans-76.1-37.1-165.1-64.56.3000112.8G103 I104 V121 T129 Y167 S170 V174G103-N125 WeakPolarHBondContact CA-OD1 3.41Å; I104-N125 PolarHBondContact N-OD1 3.31Å; I104-N125 PolarHBondContact O-ND2 3.28Å; I104-N125 PolarHBondContact O-OD1 2.85Å; V121-N125 WeakPolarHBondContact O-CB 3.37Å; V121-N125 PolarHBondContact O-N 2.97Å; N125-T129 WeakPolarHBondContact O-CB 3.38Å; N125-T129 PolarHBondContact O-OG1 3.46Å; N125-Y167 VanDerWaalsContact ND2-CD2 3.33Å; N125-Y167 WeakPolarHBondContact ND2-CD2 3.27Å; N125-S170 VanDerWaalsContact CB-OG 3.29Å; N125-S170 WeakPolarHBondContact CB-OG 3.28Å; N125-S170 PolarHBondContact ND2-OG 3.36Å; N125-V174 WeakPolarHBondContact O-CG2 3.45Å
126L98.9Very high98.7Very high44 Ų4442.6 Ų42.623%0.2320%0.204CC..Iπ-helixtrans-103.9-59.8-175.9179.556.1000111.5I122 G128 T129 F130 V174I122-L126 WeakPolarHBondContact O-CB 3.46Å; I122-L126 PolarHBondContact O-N 2.97Å; I122-L126 VanDerWaalsContact O-N 3.08Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 2.86Å; L126-T129 PolarHBondContact O-N 2.97Å; L126-F130 PolarHBondContact O-N 3.14Å; L126-V174 HydrophobicContact CD1-CG2 4.08Å
127K98.8Very high98.7Very high97 Ų9737.4 Ų37.442%0.42218%0.181SC..Iπ-helixtrans-61.6-42.3-179.6177.4-170.7175.2-165.40111S75 I122 A123 T129 F130 L131S75-K127 PolarHBondContact O-NZ 3.06Å; I122-K127 PolarHBondContact O-N 3.14Å; A123-K127 WeakPolarHBondContact O-CB 3.31Å; K127-T129 PolarHBondContact O-N 3.34Å; K127-F130 WeakPolarHBondContact O-CB 3.28Å; K127-F130 PolarHBondContact O-N 3.15Å; K127-L131 HydrophobicContact CG-CD1 3.97Å; K127-L131 HydrophobicContact CG-CG 4.29Å; K127-L131 VanDerWaalsContact O-CG 3.27Å; K127-L131 WeakPolarHBondContact O-CG 3.45Å; K127-L131 PolarHBondContact O-N 3.28Å
128G98.8Very high98.7Very high1 Ų139.6 Ų39.61%0.0119%0.19CC..Iπ-helixtrans-60.7-44.9176.600000113.1V74 A123 V124 L126 F130 L131 V132V74-G128 WeakPolarHBondContact O-CA 3.24Å; A123-G128 PolarHBondContact O-N 2.96Å; V124-G128 WeakPolarHBondContact O-CA 3.45Å; V124-G128 PolarHBondContact O-N 3.39Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 2.86Å; G128-F130 VanDerWaalsContact C-N 3.33Å; G128-F130 PolarHBondContact O-N 3.33Å; G128-L131 PolarHBondContact O-N 3.37Å; G128-V132 WeakPolarHBondContact O-CG2 3.35Å; G128-V132 PolarHBondContact O-N 3.47Å
129T98.9Very high98.6Very high5 Ų536.1 Ų36.13%0.03118%0.18CC..Hα-helixtrans-58.9-43.5173.4-59.50000111.9N125 L126 K127 T133 N151 V174 L177N125-T129 WeakPolarHBondContact O-CB 3.38Å; N125-T129 PolarHBondContact O-OG1 3.46Å; L126-T129 PolarHBondContact O-N 2.97Å; K127-T129 PolarHBondContact O-N 3.34Å; T129-T133 VanDerWaalsContact O-CB 3.23Å; T129-T133 WeakPolarHBondContact O-CB 3.48Å; T129-T133 PolarHBondContact O-N 3.42Å; T129-T133 PolarHBondContact O-OG1 3.48Å; T129-N151 HydrophobicContact CG2-CB 3.93Å; T129-N151 VanDerWaalsContact CG2-CG 3.5Å; T129-N151 WeakPolarHBondContact CG2-OD1 3.27Å; T129-V174 HydrophobicContact CG2-CG1 4.21Å; T129-V174 HydrophobicContact CG2-CG2 4.19Å; T129-L177 HydrophobicContact CG2-CD2 3.81Å
130F98.9Very high98.6Very high84 Ų8431.6 Ų31.637%0.36816%0.156SC..Hα-helixtrans-59.8-49.1174.6159.5-101.9000112.2L126 K127 G128 V132 T133 Q134 L177L126-F130 PolarHBondContact O-N 3.14Å; K127-F130 WeakPolarHBondContact O-CB 3.28Å; K127-F130 PolarHBondContact O-N 3.15Å; G128-F130 VanDerWaalsContact C-N 3.33Å; G128-F130 PolarHBondContact O-N 3.33Å; F130-V132 PolarHBondContact O-N 3.32Å; F130-T133 PolarHBondContact O-N 3.06Å; F130-Q134 HydrophobicContact CE2-CB 4.45Å; F130-Q134 WeakPolarHBondContact O-CB 3.42Å; F130-Q134 PolarHBondContact O-N 3.04Å; F130-L177 HydrophobicContact CB-CD1 4.31Å; F130-L177 HydrophobicContact CB-CD2 3.97Å; F130-L177 HydrophobicContact CD2-CD1 4.04Å
131L98.8Very high98.6Very high21 Ų2129.2 Ų29.211%0.1115%0.153CC..Hα-helixtrans-62.6-44-177.1-71.4170.1000112V74 A80 K127 G128 A135V74-L131 WeakPolarHBondContact O-CD1 3.32Å; A80-L131 HydrophobicContact CB-CB 3.77Å; K127-L131 HydrophobicContact CG-CD1 3.97Å; K127-L131 HydrophobicContact CG-CG 4.29Å; K127-L131 VanDerWaalsContact O-CG 3.27Å; K127-L131 WeakPolarHBondContact O-CG 3.45Å; K127-L131 PolarHBondContact O-N 3.28Å; G128-L131 PolarHBondContact O-N 3.37Å; L131-A135 WeakPolarHBondContact O-CB 3.41Å; L131-A135 PolarHBondContact O-N 2.94Å
132V98.8Very high98.5Very high0 Ų034.3 Ų34.30%019%0.189CC..Hα-helixtrans-65.8-45.8176.7173.80000110.7T15 V74 A80 V98 G128 F130 Q134 A135 A136T15-V132 HydrophobicContact CG2-CG1 4.15Å; T15-V132 HydrophobicContact CG2-CG2 4.13Å; V74-V132 HydrophobicContact CB-CG2 4.22Å; V74-V132 HydrophobicContact CG1-CG2 3.95Å; A80-V132 HydrophobicContact CB-CG2 4.43Å; V98-V132 HydrophobicContact CG1-CG1 3.76Å; G128-V132 WeakPolarHBondContact O-CG2 3.35Å; G128-V132 PolarHBondContact O-N 3.47Å; F130-V132 PolarHBondContact O-N 3.32Å; V132-Q134 VanDerWaalsContact C-N 3.35Å; V132-Q134 PolarHBondContact O-N 3.07Å; V132-A135 PolarHBondContact O-N 2.87Å; V132-A136 VanDerWaalsContact O-CB 3.28Å; V132-A136 WeakPolarHBondContact O-CB 3.38Å; V132-A136 PolarHBondContact O-N 2.91Å
133T98.8Very high98.4Very high6 Ų635.6 Ų35.64%0.03720%0.201CC..Hα-helixtrans-57.8-47176.9-63.60000111.3T129 F130 A136 A137 I149 N151 A181T129-T133 VanDerWaalsContact O-CB 3.23Å; T129-T133 WeakPolarHBondContact O-CB 3.48Å; T129-T133 PolarHBondContact O-N 3.42Å; T129-T133 PolarHBondContact O-OG1 3.48Å; F130-T133 PolarHBondContact O-N 3.06Å; T133-A136 PolarHBondContact O-N 3.23Å; T133-A137 VanDerWaalsContact O-CB 3.29Å; T133-A137 WeakPolarHBondContact O-CB 3.5Å; T133-A137 PolarHBondContact O-N 2.87Å; T133-I149 HydrophobicContact CG2-CD1 4.19Å; T133-I149 HydrophobicContact CG2-CG2 4.23Å; T133-N151 PolarHBondContact OG1-OD1 2.78Å; T133-A181 HydrophobicContact CG2-CB 4.37Å
134Q98.6Very high98.3Very high80 Ų8037.7 Ų37.737%0.37423%0.226SC..Hα-helixtrans-64.1-47.7-179.8-177.8-178.970.100111.6F130 V132 A136 A137 Q138F130-Q134 HydrophobicContact CE2-CB 4.45Å; F130-Q134 WeakPolarHBondContact O-CB 3.42Å; F130-Q134 PolarHBondContact O-N 3.04Å; V132-Q134 VanDerWaalsContact C-N 3.35Å; V132-Q134 PolarHBondContact O-N 3.07Å; Q134-A136 VanDerWaalsContact C-N 3.35Å; Q134-A136 PolarHBondContact O-N 3.39Å; Q134-A137 PolarHBondContact O-N 3.32Å; Q134-Q138 WeakPolarHBondContact O-CB 3.17Å; Q134-Q138 VanDerWaalsContact O-CG 3.3Å; Q134-Q138 WeakPolarHBondContact O-CG 3.42Å; Q134-Q138 PolarHBondContact O-N 3.14Å
135A98.3Very high98.1Very high10 Ų1037.7 Ų37.78%0.08323%0.23CC..Hα-helixtrans-62.9-41.8179.900000111.8L84 L131 V132 A139L84-A135 HydrophobicContact CB-CB 4.4Å; L84-A135 HydrophobicContact CD2-CB 3.94Å; L84-A135 HydrophobicContact CG-CB 3.91Å; L131-A135 WeakPolarHBondContact O-CB 3.41Å; L131-A135 PolarHBondContact O-N 2.94Å; V132-A135 PolarHBondContact O-N 2.87Å; A135-A139 WeakPolarHBondContact O-CB 3.36Å; A135-A139 PolarHBondContact O-N 3.07Å
136A98.3Very high98Very high1 Ų146.7 Ų46.71%0.00826%0.264CS..Hα-helixtrans-63.2-46.2175.200000112.5V98 V132 T133 Q134 A139 L140 I149V98-A136 HydrophobicContact CB-CB 4.14Å; V98-A136 HydrophobicContact CG1-CB 4.09Å; V98-A136 HydrophobicContact CG2-CB 3.65Å; V132-A136 VanDerWaalsContact O-CB 3.28Å; V132-A136 WeakPolarHBondContact O-CB 3.38Å; V132-A136 PolarHBondContact O-N 2.91Å; T133-A136 PolarHBondContact O-N 3.23Å; Q134-A136 VanDerWaalsContact C-N 3.35Å; Q134-A136 PolarHBondContact O-N 3.39Å; A136-A139 WeakPolarHBondContact O-CB 3.22Å; A136-A139 PolarHBondContact O-N 3.14Å; A136-L140 WeakPolarHBondContact O-CG 3.39Å; A136-L140 PolarHBondContact O-N 3.2Å; A136-I149 HydrophobicContact CB-CD1 4.39Å
137A98.4Very high98Very high10 Ų1045.2 Ų45.28%0.08326%0.26CS..Hα-helixtrans-61.9-44.9177.900000111.8T133 Q134 A139 L140 V141 I149 L185T133-A137 VanDerWaalsContact O-CB 3.29Å; T133-A137 WeakPolarHBondContact O-CB 3.5Å; T133-A137 PolarHBondContact O-N 2.87Å; Q134-A137 PolarHBondContact O-N 3.32Å; A137-A139 PolarHBondContact O-N 3.31Å; A137-L140 PolarHBondContact O-N 3.24Å; A137-V141 WeakPolarHBondContact O-CB 3.29Å; A137-V141 VanDerWaalsContact O-CG2 3.26Å; A137-V141 WeakPolarHBondContact O-CG2 3.48Å; A137-V141 PolarHBondContact O-N 3.33Å; A137-I149 HydrophobicContact CB-CD1 4.37Å; A137-L185 HydrophobicContact CB-CD1 3.77Å; A137-L185 HydrophobicContact CB-CD2 3.72Å; A137-L185 HydrophobicContact CB-CG 4.42Å
138Q98Very high98Very high92 Ų9240.8 Ų40.843%0.4324%0.241SC..Hα-helixtrans-57.9-48175.5-74.9173-3.800111.2Q134 L140 V141 S142Q134-Q138 WeakPolarHBondContact O-CB 3.17Å; Q134-Q138 VanDerWaalsContact O-CG 3.3Å; Q134-Q138 WeakPolarHBondContact O-CG 3.42Å; Q134-Q138 PolarHBondContact O-N 3.14Å; Q138-L140 PolarHBondContact O-N 3.19Å; Q138-V141 PolarHBondContact O-N 2.84Å; Q138-S142 VanDerWaalsContact O-CB 3.28Å; Q138-S142 WeakPolarHBondContact O-CB 3.39Å; Q138-S142 PolarHBondContact O-N 2.75Å; Q138-S142 PolarHBondContact O-OG 3.41Å; Q138-S142 VanDerWaalsContact O-OG 3.07Å
139A97.8Very high98Very high13 Ų1340.7 Ų40.711%0.10724%0.24CC..Hα-helixtrans-58.2-46.1177.400000113.6P94 A135 A136 A137 S143P94-A139 HydrophobicContact CB-CB 4.08Å; A135-A139 WeakPolarHBondContact O-CB 3.36Å; A135-A139 PolarHBondContact O-N 3.07Å; A136-A139 WeakPolarHBondContact O-CB 3.22Å; A136-A139 PolarHBondContact O-N 3.14Å; A137-A139 PolarHBondContact O-N 3.31Å; A139-S143 WeakPolarHBondContact O-CB 3.16Å; A139-S143 PolarHBondContact O-N 3.33Å; A139-S143 VanDerWaalsContact O-N 3.15Å; A139-S143 PolarHBondContact O-OG 2.78Å
140L98.1Very high98Very high3 Ų340.5 Ų40.52%0.01624%0.239CC..Hα-helixtrans-66.6-47.1178.9-74.5170.6000111.3P95 A136 A137 Q138 S142 S143 G144 G145 I190P95-L140 WeakPolarHBondContact O-CD2 3.47Å; A136-L140 WeakPolarHBondContact O-CG 3.39Å; A136-L140 PolarHBondContact O-N 3.2Å; A137-L140 PolarHBondContact O-N 3.24Å; Q138-L140 PolarHBondContact O-N 3.19Å; L140-S142 PolarHBondContact O-N 3.02Å; L140-S143 PolarHBondContact O-N 2.84Å; L140-S143 PolarHBondContact O-OG 3.49Å; L140-G144 PolarHBondContact O-N 2.87Å; L140-G144 VanDerWaalsContact O-N 3.16Å; L140-G145 PolarHBondContact O-N 2.99Å; L140-I190 HydrophobicContact CB-CD1 3.59Å; L140-I190 HydrophobicContact CB-CG1 4.28Å; L140-I190 HydrophobicContact CD1-CD1 4.12Å; L140-I190 HydrophobicContact CD1-CG1 4.22Å; L140-I190 HydrophobicContact CD1-CG2 4.4Å
141V98.3Very high98Very high59 Ų5936.5 Ų36.536%0.35822%0.221SC..Hα-helixtrans-62-45.9178.5173.70000111.3A137 Q138 S143 G144 H188 I190A137-V141 WeakPolarHBondContact O-CB 3.29Å; A137-V141 VanDerWaalsContact O-CG2 3.26Å; A137-V141 WeakPolarHBondContact O-CG2 3.48Å; A137-V141 PolarHBondContact O-N 3.33Å; Q138-V141 PolarHBondContact O-N 2.84Å; V141-S143 VanDerWaalsContact C-N 3.26Å; V141-S143 PolarHBondContact O-N 2.94Å; V141-G144 PolarHBondContact O-N 3.2Å; V141-G144 VanDerWaalsContact O-N 3.08Å; V141-H188 HydrophobicContact CG2-CB 3.97Å; V141-I190 HydrophobicContact CG2-CD1 3.89Å
142S97.7Very high98Very high108 Ų10835.9 Ų35.976%0.75522%0.218SC*.Hα-helixtrans-64.2-29.2179.9-690000113.5Q138 L140Q138-S142 VanDerWaalsContact O-CB 3.28Å; Q138-S142 WeakPolarHBondContact O-CB 3.39Å; Q138-S142 PolarHBondContact O-N 2.75Å; Q138-S142 PolarHBondContact O-OG 3.41Å; Q138-S142 VanDerWaalsContact O-OG 3.07Å; L140-S142 PolarHBondContact O-N 3.02Å
143S96.6Very high98Very high65 Ų6536 Ų3646%0.45522%0.218SC..THydrogen-bonded Turntrans-87.5-3.6175.8590000113.9P94 A139 L140 V141 G145P94-S143 WeakPolarHBondContact CG-OG 3.22Å; A139-S143 WeakPolarHBondContact O-CB 3.16Å; A139-S143 PolarHBondContact O-N 3.33Å; A139-S143 VanDerWaalsContact O-N 3.15Å; A139-S143 PolarHBondContact O-OG 2.78Å; L140-S143 PolarHBondContact O-N 2.84Å; L140-S143 PolarHBondContact O-OG 3.49Å; V141-S143 VanDerWaalsContact C-N 3.26Å; V141-S143 PolarHBondContact O-N 2.94Å; S143-G145 PolarHBondContact O-N 2.89Å; S143-G145 PolarHBondContact OG-N 2.63Å
144G96.5Very high98Very high70 Ų7036.1 Ų36.172%0.72222%0.22SC*.THydrogen-bonded Turntrans66.316.7-169.900000113.4L140 V141L140-G144 PolarHBondContact O-N 2.87Å; L140-G144 VanDerWaalsContact O-N 3.16Å; V141-G144 PolarHBondContact O-N 3.2Å; V141-G144 VanDerWaalsContact O-N 3.08Å
145G94.6Very high97.9Very high22 Ų2232.3 Ų32.323%0.22720%0.202CC..  trans-79.5159.1-178.700000113.1L140 S143L140-G145 PolarHBondContact O-N 2.99Å; S143-G145 PolarHBondContact O-N 2.89Å; S143-G145 PolarHBondContact OG-N 2.63Å
146R97.1Very high97.9Very high189 Ų18932.2 Ų32.271%0.71320%0.2SC*.  trans-108.9160.9171-60.8175.875155.11.2108.7G189R146-G189 WeakPolarHBondContact CB-O 3.43Å
147G97.9Very high97.8Very high14 Ų1432.8 Ų32.814%0.14421%0.206CC..EExtended strand (participates in β ladder)trans-172.5-179.2179.700000115.6S96 I190 R191S96-G147 CarbonylContact O-C 3.56Å; S96-G147 WeakPolarHBondContact O-CA 3.29Å; G147-I190 WeakPolarHBondContact O-CA 3.26Å; G147-R191 PolarHBondContact O-N 3.44Å
148S98.8Very high97.7Very high3 Ų337.8 Ų37.82%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-128.2120.3175.4-168.40000110S96 V97 V98 I150 R191 L238S96-S148 PolarHBondContact O-N 3.48Å; V97-S148 WeakPolarHBondContact CA-O 3.4Å; V98-S148 PolarHBondContact N-O 3.12Å; S148-I150 WeakPolarHBondContact OG-CD1 3.19Å; S148-R191 PolarHBondContact OG-NH2 2.86Å; S148-L238 PolarHBondContact OG-O 2.85Å
149I98.9Very high97.6Very high0 Ų036.5 Ų36.50%022%0.224CC..EExtended strand (participates in β ladder)trans-102.3127172.9-58.5177.2000107.7V98 T133 A136 A137 L185 I190 R191 C192 N193V98-I149 CarbonylContact O-C 3.45Å; V98-I149 WeakPolarHBondContact O-CA 3.26Å; T133-I149 HydrophobicContact CG2-CD1 4.19Å; T133-I149 HydrophobicContact CG2-CG2 4.23Å; A136-I149 HydrophobicContact CB-CD1 4.39Å; A137-I149 HydrophobicContact CB-CD1 4.37Å; I149-L185 HydrophobicContact CD1-CD1 4.05Å; I149-I190 HydrophobicContact CD1-CG2 4.02Å; I149-I190 HydrophobicContact CG1-CG2 4.16Å; I149-R191 PolarHBondContact N-O 2.96Å; I149-C192 HydrophobicContact CB-CB 4.43Å; I149-C192 CarbonylContact O-C 3.58Å; I149-C192 VanDerWaalsContact O-CA 3.29Å; I149-C192 WeakPolarHBondContact O-CA 3.42Å; I149-N193 PolarHBondContact O-N 2.94Å
150I98.9Very high97.6Very high0 Ų037.2 Ų37.20%023%0.233CC..EExtended strand (participates in β ladder)trans-124.6118-179.4-53.893.4000109.1V97 V98 V99 S100 S148 I152 N193 V195 V235 L238 A239V97-I150 HydrophobicContact CG1-CD1 4.06Å; V98-I150 PolarHBondContact O-N 2.78Å; V99-I150 CarbonylContact C-O 3.58Å; V99-I150 VanDerWaalsContact CA-O 3.26Å; V99-I150 WeakPolarHBondContact CA-O 3.5Å; V99-I150 HydrophobicContact CG2-CB 4.41Å; V99-I150 HydrophobicContact CG2-CD1 4.28Å; S100-I150 PolarHBondContact N-O 3.48Å; S148-I150 WeakPolarHBondContact OG-CD1 3.19Å; I150-I152 HydrophobicContact CG2-CD1 4.37Å; I150-N193 CarbonylContact C-O 3.59Å; I150-N193 WeakPolarHBondContact CA-O 3.43Å; I150-V195 HydrophobicContact CG2-CG2 3.88Å; I150-V235 HydrophobicContact CG2-CG1 4.49Å; I150-V235 HydrophobicContact CG2-CG2 4.17Å; I150-L238 HydrophobicContact CG1-CB 3.93Å; I150-L238 HydrophobicContact CG2-CD1 4.25Å; I150-A239 HydrophobicContact CD1-CB 4.33Å
151N98.9Very high97.5Very high0 Ų040.5 Ų40.50%025%0.25CS..EExtended strand (participates in β ladder)trans-104.2124.2179.2-64.9-38.1000110.6S100 T129 T133 S153 V174 T178 N193 S194 V195S100-N151 WeakPolarHBondContact CB-OD1 3.45Å; S100-N151 PolarHBondContact OG-OD1 3.43Å; T129-N151 HydrophobicContact CG2-CB 3.93Å; T129-N151 VanDerWaalsContact CG2-CG 3.5Å; T129-N151 WeakPolarHBondContact CG2-OD1 3.27Å; T133-N151 PolarHBondContact OG1-OD1 2.78Å; N151-S153 PolarHBondContact O-N 2.98Å; N151-V174 HydrophobicContact CB-CG1 3.67Å; N151-T178 PolarHBondContact ND2-OG1 2.94Å; N151-T178 VanDerWaalsContact ND2-OG1 3.14Å; N151-N193 PolarHBondContact N-O 3.12Å; N151-S194 WeakPolarHBondContact O-CA 3.42Å; N151-S194 WeakPolarHBondContact O-CB 3.44Å; N151-V195 PolarHBondContact O-N 2.74Å
152I98.9Very high97.3Very high8 Ų844.3 Ų44.34%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-82.4105.1177.5-51.8-55000108.9I25 V99 S100 C101 I150 K171 V195 P197 V231 V235I25-I152 HydrophobicContact CD1-CD1 4.12Å; I25-I152 HydrophobicContact CD1-CG1 4.35Å; V99-I152 HydrophobicContact CG1-CD1 4.16Å; V99-I152 HydrophobicContact CG1-CG1 4.1Å; S100-I152 WeakPolarHBondContact O-CB 3.48Å; S100-I152 PolarHBondContact O-N 3.05Å; C101-I152 HydrophobicContact CB-CB 4.38Å; C101-I152 HydrophobicContact CB-CG1 3.75Å; I150-I152 HydrophobicContact CG2-CD1 4.37Å; I152-K171 PolarHBondContact O-NZ 3.26Å; I152-V195 HydrophobicContact CD1-CB 4.04Å; I152-V195 HydrophobicContact CD1-CG2 4.43Å; I152-P197 HydrophobicContact CG2-CG 3.97Å; I152-V231 HydrophobicContact CD1-CG1 4.48Å; I152-V235 HydrophobicContact CD1-CG2 3.8Å
153S98.6Very high97.2Very high2 Ų239.8 Ų39.81%0.01424%0.238CC..  trans-89.1-137.2172.4-171.60000110.3N151 K171 V195N151-S153 PolarHBondContact O-N 2.98Å; S153-K171 PolarHBondContact OG-O 2.87Å; S153-V195 WeakPolarHBondContact CA-O 3.46Å; S153-V195 PolarHBondContact N-O 2.79Å
154S98.3Very high97.2Very high9 Ų937.3 Ų37.36%0.06322%0.219CC..  trans-166152.9174176.70000109I156 G157S154-I156 PolarHBondContact O-N 2.91Å; S154-I156 PolarHBondContact OG-N 2.76Å; S154-I156 VanDerWaalsContact OG-N 3.12Å; S154-G157 PolarHBondContact O-N 3.08Å
155I97.3Very high97.3Very high1 Ų136.2 Ų36.21%0.00520%0.199CC..THydrogen-bonded Turntrans-56.6-29.2168-162.963.5000111.6G157 K158 V159 P197 E252 F258I155-G157 PolarHBondContact O-N 3.2Å; I155-K158 HydrophobicContact CD1-CD 4.25Å; I155-K158 WeakPolarHBondContact O-CA 3.29Å; I155-K158 WeakPolarHBondContact O-CB 3.48Å; I155-K158 PolarHBondContact O-N 3.15Å; I155-V159 PolarHBondContact O-N 2.81Å; I155-P197 PolarHBondContact N-O 2.91Å; I155-E252 HydrophobicContact CD1-CG 3.97Å; I155-F258 HydrophobicContact CG1-CB 4.35Å; I155-F258 HydrophobicContact CG1-CD2 3.98Å; I155-F258 HydrophobicContact CG2-CD2 4.2Å; I155-F258 HydrophobicContact CG2-CE2 4.49Å
156I97.4Very high97.5Very high8 Ų835.2 Ų35.24%0.04119%0.188CC..Hα-helixtrans-63.5-24.7176.2-58-45.4000112.3S154 K158 V159 G160 N161 Y167 A168 F258S154-I156 PolarHBondContact O-N 2.91Å; S154-I156 PolarHBondContact OG-N 2.76Å; S154-I156 VanDerWaalsContact OG-N 3.12Å; I156-K158 PolarHBondContact O-N 3.38Å; I156-V159 HydrophobicContact CD1-CG2 4.47Å; I156-G160 VanDerWaalsContact O-CA 3.31Å; I156-G160 WeakPolarHBondContact O-CA 3.15Å; I156-G160 PolarHBondContact O-N 3.09Å; I156-N161 HydrophobicContact CD1-CB 3.89Å; I156-N161 HydrophobicContact CG1-CB 4.36Å; I156-N161 HydrophobicContact CG2-CB 3.8Å; I156-Y167 HydrophobicContact CB-CD1 4.28Å; I156-Y167 HydrophobicContact CB-CE1 4.22Å; I156-Y167 HydrophobicContact CG2-CD1 4Å; I156-Y167 HydrophobicContact CG2-CE1 4.45Å; I156-A168 HydrophobicContact CG2-CB 3.85Å; I156-F258 HydrophobicContact CD1-CE2 4.45Å
157G97.2Very high97.6Very high13 Ų1327.5 Ų27.513%0.13416%0.159CC..Hα-helixtrans-67-19.6171.100000113.8S154 I155 A172S154-G157 PolarHBondContact O-N 3.08Å; I155-G157 PolarHBondContact O-N 3.2Å; G157-A172 VanDerWaalsContact O-CB 3.26Å; G157-A172 WeakPolarHBondContact O-CB 3.34Å
158K96.6Very high97.6Very high115 Ų11527.5 Ų27.550%0.516%0.158SC..Hα-helixtrans-95.6-39.5178.5-175.5-175.2176.1-167.90112.1I155 I156 E252I155-K158 HydrophobicContact CD1-CD 4.25Å; I155-K158 WeakPolarHBondContact O-CA 3.29Å; I155-K158 WeakPolarHBondContact O-CB 3.48Å; I155-K158 PolarHBondContact O-N 3.15Å; I156-K158 PolarHBondContact O-N 3.38Å; K158-E252 VanDerWaalsContact CD-OE1 3.27Å; K158-E252 WeakPolarHBondContact CD-OE1 3.25Å; K158-E252 WeakPolarHBondContact CE-OE1 3.18Å; K158-E252 IonicContact NZ-OE1 3.51Å; K158-E252 PolarHBondContact NZ-OE1 3.16Å; K158-E252 IonicContact NZ-OE2 3.14Å
159V96.2Very high97.6Very high64 Ų6429.7 Ų29.739%0.38817%0.173SC..Hα-helixtrans-115.5-9.8-168.1-54.10000114.7I155 I156 F258I155-V159 PolarHBondContact O-N 2.81Å; I156-V159 HydrophobicContact CD1-CG2 4.47Å; V159-F258 HydrophobicContact CB-CG 4.5Å; V159-F258 HydrophobicContact CG1-CB 3.9Å; V159-F258 HydrophobicContact CG1-CG 4.35Å; V159-F258 HydrophobicContact CG2-CB 4.3Å; V159-F258 HydrophobicContact CG2-CD1 4.39Å; V159-F258 HydrophobicContact CG2-CD2 3.62Å; V159-F258 HydrophobicContact CG2-CE2 3.94Å; V159-F258 HydrophobicContact CG2-CG 3.87Å; V159-F258 HydrophobicContact CG2-CZ 4.46Å
160G96.4Very high97.6Very high29 Ų2929.7 Ų29.730%0.29917%0.173SC..  trans70.7174-172.700000113.1I156I156-G160 VanDerWaalsContact O-CA 3.31Å; I156-G160 WeakPolarHBondContact O-CA 3.15Å; I156-G160 PolarHBondContact O-N 3.09Å
161N95.8Very high97.6Very high71 Ų7130 Ų3038%0.3817%0.174SC..  trans-157.2148.2171.5-168.623.3000109.6I156 G163 Q164I156-N161 HydrophobicContact CD1-CB 3.89Å; I156-N161 HydrophobicContact CG1-CB 4.36Å; I156-N161 HydrophobicContact CG2-CB 3.8Å; N161-G163 PolarHBondContact O-N 3.42Å; N161-Q164 HydrophobicContact CB-CB 4.06Å; N161-Q164 HydrophobicContact CB-CG 4.09Å; N161-Q164 PolarHBondContact ND2-OE1 3.02Å; N161-Q164 PolarHBondContact O-N 3.22Å; N161-Q164 VanDerWaalsContact O-N 3.14Å
162I94.9Very high97.6Very high139 Ų13932 Ų3271%0.71319%0.191SC*.THydrogen-bonded Turntrans-61.7132.1178.4-65.4177.3000109.1F109 Q164F109-I162 HydrophobicContact CD1-CG2 4.12Å; F109-I162 HydrophobicContact CE1-CG2 3.43Å; F109-I162 VanDerWaalsContact CE1-CG2 3.43Å; F109-I162 HydrophobicContact CZ-CG2 4.29Å; I162-Q164 VanDerWaalsContact C-N 3.29Å; I162-Q164 PolarHBondContact O-N 3.39Å
163G95.5Very high97.6Very high13 Ų1332.8 Ų32.813%0.13420%0.201CC..THydrogen-bonded Turntrans805-179.500000114.8D107 E108 N161D107-G163 CarbonylContact C-O 3.49Å; D107-G163 VanDerWaalsContact CA-O 3.22Å; D107-G163 WeakPolarHBondContact CA-O 3.5Å; E108-G163 PolarHBondContact N-O 2.94Å; E108-G163 CarbonylContact O-C 3.28Å; E108-G163 VanDerWaalsContact O-C 3.28Å; E108-G163 VanDerWaalsContact O-CA 3.25Å; E108-G163 WeakPolarHBondContact O-CA 3.42Å; N161-G163 PolarHBondContact O-N 3.42Å
164Q97.4Very high97.6Very high14 Ų1432.7 Ų32.77%0.06520%0.2CC..BIsolated β-bridgetrans-122.233.7-172-62.2-152.1-74.100113.5D107 N161 I162 N166 Y167 A168D107-Q164 PolarHBondContact OD1-NE2 3.37Å; D107-Q164 PolarHBondContact OD2-NE2 2.75Å; N161-Q164 HydrophobicContact CB-CB 4.06Å; N161-Q164 HydrophobicContact CB-CG 4.09Å; N161-Q164 PolarHBondContact ND2-OE1 3.02Å; N161-Q164 PolarHBondContact O-N 3.22Å; N161-Q164 VanDerWaalsContact O-N 3.14Å; I162-Q164 VanDerWaalsContact C-N 3.29Å; I162-Q164 PolarHBondContact O-N 3.39Å; Q164-N166 VanDerWaalsContact C-N 3.3Å; Q164-N166 PolarHBondContact O-N 3.18Å; Q164-Y167 PolarHBondContact O-N 2.89Å; Q164-A168 WeakPolarHBondContact O-CB 3.39Å; Q164-A168 PolarHBondContact O-N 3.44Å
165T98.3Very high97.6Very high47 Ų4733.5 Ų33.529%0.28820%0.204SC..Hα-helixtrans-55-46.3-178.7-47.30000111.5L110 W118 S169L110-T165 HydrophobicContact CD1-CG2 4.01Å; W118-T165 HydrophobicContact CZ3-CG2 3.87Å; T165-S169 VanDerWaalsContact O-CB 3.23Å; T165-S169 WeakPolarHBondContact O-CB 3.37Å; T165-S169 PolarHBondContact O-N 3.39Å; T165-S169 PolarHBondContact O-OG 2.94Å
166N98.4Very high97.7Very high0 Ų035 Ų350%022%0.219CC..Hα-helixtrans-61.8-49.4175.954.51000112.7R106 M113 W118 V121 Q164 S170R106-N166 PolarHBondContact O-ND2 3.1Å; M113-N166 HydrophobicContact CE-CB 4.4Å; M113-N166 HydrophobicContact SD-CB 4.42Å; M113-N166 PolarHBondContact SD-ND2 2.96Å; W118-N166 HydrophobicContact CD2-CB 4.31Å; W118-N166 HydrophobicContact CE3-CB 3.67Å; W118-N166 HydrophobicContact CZ3-CB 4.18Å; V121-N166 HydrophobicContact CB-CB 4.05Å; V121-N166 HydrophobicContact CG1-CB 4.02Å; V121-N166 HydrophobicContact CG2-CB 4.48Å; Q164-N166 VanDerWaalsContact C-N 3.3Å; Q164-N166 PolarHBondContact O-N 3.18Å; N166-S170 WeakPolarHBondContact O-CB 3.19Å; N166-S170 PolarHBondContact O-N 2.93Å
167Y98.4Very high97.8Very high27 Ų2736.1 Ų36.111%0.10623%0.225CC..Hα-helixtrans-67.6-48.2-176.9-175.4-96.4000111.7I104 T105 N125 I156 Q164 S169 S170 K171I104-Y167 WeakPolarHBondContact O-CD2 3.36Å; T105-Y167 HydrophobicContact CG2-CD2 3.63Å; T105-Y167 HydrophobicContact CG2-CE2 3.71Å; T105-Y167 HydrophobicContact CG2-CG 4.21Å; N125-Y167 VanDerWaalsContact ND2-CD2 3.33Å; N125-Y167 WeakPolarHBondContact ND2-CD2 3.27Å; I156-Y167 HydrophobicContact CB-CD1 4.28Å; I156-Y167 HydrophobicContact CB-CE1 4.22Å; I156-Y167 HydrophobicContact CG2-CD1 4Å; I156-Y167 HydrophobicContact CG2-CE1 4.45Å; Q164-Y167 PolarHBondContact O-N 2.89Å; Y167-S169 PolarHBondContact O-N 3.32Å; Y167-S170 PolarHBondContact O-N 2.92Å; Y167-S170 VanDerWaalsContact O-N 3.14Å; Y167-S170 PolarHBondContact O-OG 3.35Å; Y167-K171 HydrophobicContact CD1-CG 4.09Å; Y167-K171 HydrophobicContact CD2-CG 4.48Å; Y167-K171 HydrophobicContact CE1-CG 3.72Å; Y167-K171 HydrophobicContact CE2-CD 4.48Å; Y167-K171 HydrophobicContact CE2-CG 4.17Å; Y167-K171 HydrophobicContact CG-CG 4.46Å; Y167-K171 WeakPolarHBondContact O-CG 3.4Å; Y167-K171 PolarHBondContact O-N 3.46Å; Y167-K171 WeakPolarHBondContact OH-CE 3.49Å
168A98.5Very high97.8Very high14 Ų1435.5 Ų35.512%0.11622%0.219CC..Hα-helixtrans-57.1-48.7175.700000111.1I156 Q164 S170 K171 A172I156-A168 HydrophobicContact CG2-CB 3.85Å; Q164-A168 WeakPolarHBondContact O-CB 3.39Å; Q164-A168 PolarHBondContact O-N 3.44Å; A168-S170 VanDerWaalsContact C-N 3.33Å; A168-S170 PolarHBondContact O-N 2.84Å; A168-K171 PolarHBondContact O-N 3.26Å; A168-A172 VanDerWaalsContact O-CB 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.35Å; A168-A172 PolarHBondContact O-N 3.5Å
169S98.8Very high97.9Very high50 Ų5034.4 Ų34.435%0.3522%0.215SC..Hα-helixtrans-59.1-42.8174.9-67.90000112.1T165 Y167 K171 G173T165-S169 VanDerWaalsContact O-CB 3.23Å; T165-S169 WeakPolarHBondContact O-CB 3.37Å; T165-S169 PolarHBondContact O-N 3.39Å; T165-S169 PolarHBondContact O-OG 2.94Å; Y167-S169 PolarHBondContact O-N 3.32Å; S169-K171 PolarHBondContact O-N 3.02Å; S169-G173 PolarHBondContact O-N 3.07Å
170S98.8Very high98.1Very high0 Ų034.9 Ų34.90%022%0.219CC..Hα-helixtrans-62.7-43.7178.280.40000112.5N125 N166 Y167 A168 G173 V174N125-S170 VanDerWaalsContact CB-OG 3.29Å; N125-S170 WeakPolarHBondContact CB-OG 3.28Å; N125-S170 PolarHBondContact ND2-OG 3.36Å; N166-S170 WeakPolarHBondContact O-CB 3.19Å; N166-S170 PolarHBondContact O-N 2.93Å; Y167-S170 PolarHBondContact O-N 2.92Å; Y167-S170 VanDerWaalsContact O-N 3.14Å; Y167-S170 PolarHBondContact O-OG 3.35Å; A168-S170 VanDerWaalsContact C-N 3.33Å; A168-S170 PolarHBondContact O-N 2.84Å; S170-G173 PolarHBondContact O-N 2.67Å; S170-V174 WeakPolarHBondContact O-CG2 3.21Å; S170-V174 PolarHBondContact O-N 2.89Å
171K98.6Very high98.2Very high6 Ų634 Ų343%0.02621%0.209CC..Hα-helixtrans-76.4-34.4-177.1-65.9-51.7-162.1173.30112I152 S153 Y167 A168 S169 G173 V174 I175I152-K171 PolarHBondContact O-NZ 3.26Å; S153-K171 PolarHBondContact OG-O 2.87Å; Y167-K171 HydrophobicContact CD1-CG 4.09Å; Y167-K171 HydrophobicContact CD2-CG 4.48Å; Y167-K171 HydrophobicContact CE1-CG 3.72Å; Y167-K171 HydrophobicContact CE2-CD 4.48Å; Y167-K171 HydrophobicContact CE2-CG 4.17Å; Y167-K171 HydrophobicContact CG-CG 4.46Å; Y167-K171 WeakPolarHBondContact O-CG 3.4Å; Y167-K171 PolarHBondContact O-N 3.46Å; Y167-K171 WeakPolarHBondContact OH-CE 3.49Å; A168-K171 PolarHBondContact O-N 3.26Å; S169-K171 PolarHBondContact O-N 3.02Å; K171-G173 VanDerWaalsContact C-N 3.33Å; K171-V174 PolarHBondContact O-N 3.21Å; K171-I175 PolarHBondContact O-N 3.28Å
172A98.8Very high98.3Very high43 Ų4331 Ų3136%0.35519%0.194SC..Hα-helixtrans-59.7-44.9167.100000111.2G157 A168 V174 I175 G176G157-A172 VanDerWaalsContact O-CB 3.26Å; G157-A172 WeakPolarHBondContact O-CB 3.34Å; A168-A172 VanDerWaalsContact O-CB 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.35Å; A168-A172 PolarHBondContact O-N 3.5Å; A172-V174 VanDerWaalsContact C-N 3.29Å; A172-V174 PolarHBondContact O-N 3.25Å; A172-I175 WeakPolarHBondContact O-CB 3.2Å; A172-I175 PolarHBondContact O-N 3.41Å; A172-I175 VanDerWaalsContact O-N 3.09Å; A172-G176 PolarHBondContact O-N 3.01Å
173G98.9Very high98.5Very high24 Ų2434.7 Ų34.725%0.24720%0.199CC..Hα-helixtrans-59.2-37.5175.400000113.1S169 S170 K171 I175 G176 L177S169-G173 PolarHBondContact O-N 3.07Å; S170-G173 PolarHBondContact O-N 2.67Å; K171-G173 VanDerWaalsContact C-N 3.33Å; G173-I175 VanDerWaalsContact C-N 3.3Å; G173-I175 PolarHBondContact O-N 3.06Å; G173-G176 PolarHBondContact O-N 3.23Å; G173-L177 WeakPolarHBondContact O-CB 3.29Å; G173-L177 PolarHBondContact O-N 3.37Å
174V98.9Very high98.7Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-63.8-34.5175.9170.10000111.9N125 L126 T129 N151 S170 K171 A172 T178N125-V174 WeakPolarHBondContact O-CG2 3.45Å; L126-V174 HydrophobicContact CD1-CG2 4.08Å; T129-V174 HydrophobicContact CG2-CG1 4.21Å; T129-V174 HydrophobicContact CG2-CG2 4.19Å; N151-V174 HydrophobicContact CB-CG1 3.67Å; S170-V174 WeakPolarHBondContact O-CG2 3.21Å; S170-V174 PolarHBondContact O-N 2.89Å; K171-V174 PolarHBondContact O-N 3.21Å; A172-V174 VanDerWaalsContact C-N 3.29Å; A172-V174 PolarHBondContact O-N 3.25Å; V174-T178 VanDerWaalsContact O-CB 3.31Å; V174-T178 WeakPolarHBondContact O-CB 3.23Å; V174-T178 PolarHBondContact O-N 2.97Å; V174-T178 PolarHBondContact O-OG1 3.05Å
175I98.9Very high98.7Very high25 Ų2540.2 Ų40.213%0.12822%0.221CC..Hα-helixtrans-64.8-49.9174.8-63.6164.5000109.8K171 A172 G173 L177 T178 Q179 L196 S250K171-I175 PolarHBondContact O-N 3.28Å; A172-I175 WeakPolarHBondContact O-CB 3.2Å; A172-I175 PolarHBondContact O-N 3.41Å; A172-I175 VanDerWaalsContact O-N 3.09Å; G173-I175 VanDerWaalsContact C-N 3.3Å; G173-I175 PolarHBondContact O-N 3.06Å; I175-L177 PolarHBondContact O-N 3.33Å; I175-T178 WeakPolarHBondContact O-CB 3.26Å; I175-T178 PolarHBondContact O-N 2.97Å; I175-Q179 WeakPolarHBondContact O-CG 3.19Å; I175-Q179 PolarHBondContact O-N 3.29Å; I175-L196 HydrophobicContact CD1-CD2 3.82Å; I175-L196 HydrophobicContact CD1-CG 4.37Å; I175-L196 HydrophobicContact CG1-CD1 4.34Å; I175-S250 WeakPolarHBondContact CG2-OG 3.35Å
176G98.9Very high98.7Very high32 Ų3239.8 Ų39.833%0.3323%0.227SC..Hα-helixtrans-61.9-41.1177.900000113.3A172 G173 T180A172-G176 PolarHBondContact O-N 3.01Å; G173-G176 PolarHBondContact O-N 3.23Å; G176-T180 WeakPolarHBondContact O-CB 3.48Å; G176-T180 PolarHBondContact O-N 3.27Å; G176-T180 PolarHBondContact O-OG1 3.03Å
177L98.9Very high98.7Very high33 Ų3349.9 Ų49.917%0.17327%0.265CS..Hα-helixtrans-57.5-48.6172.617065.6000111T129 F130 G173 I175 T180 A181T129-L177 HydrophobicContact CG2-CD2 3.81Å; F130-L177 HydrophobicContact CB-CD1 4.31Å; F130-L177 HydrophobicContact CB-CD2 3.97Å; F130-L177 HydrophobicContact CD2-CD1 4.04Å; G173-L177 WeakPolarHBondContact O-CB 3.29Å; G173-L177 PolarHBondContact O-N 3.37Å; I175-L177 PolarHBondContact O-N 3.33Å; L177-T180 PolarHBondContact O-N 3.36Å; L177-A181 VanDerWaalsContact O-CB 3.25Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.42Å
178T98.9Very high98.7Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-62-48.8-178-63.50000111.5N151 V174 I175 T180 A181 A182 N193N151-T178 PolarHBondContact ND2-OG1 2.94Å; N151-T178 VanDerWaalsContact ND2-OG1 3.14Å; V174-T178 VanDerWaalsContact O-CB 3.31Å; V174-T178 WeakPolarHBondContact O-CB 3.23Å; V174-T178 PolarHBondContact O-N 2.97Å; V174-T178 PolarHBondContact O-OG1 3.05Å; I175-T178 WeakPolarHBondContact O-CB 3.26Å; I175-T178 PolarHBondContact O-N 2.97Å; T178-T180 VanDerWaalsContact C-N 3.33Å; T178-T180 PolarHBondContact O-N 3.42Å; T178-A181 PolarHBondContact O-N 3.34Å; T178-A182 WeakPolarHBondContact O-CB 3.38Å; T178-A182 PolarHBondContact O-N 3.32Å; T178-N193 VanDerWaalsContact CG2-CA 3.48Å
179Q98.9Very high98.7Very high91 Ų9152 Ų5243%0.42528%0.279SS..Hα-helixtrans-62.3-40.7180-70.8173.6-9.700112I175 R183I175-Q179 WeakPolarHBondContact O-CG 3.19Å; I175-Q179 PolarHBondContact O-N 3.29Å; Q179-R183 WeakPolarHBondContact O-CG 3.42Å; Q179-R183 PolarHBondContact O-N 3.16Å
180T98.9Very high98.7Very high74 Ų7449.7 Ų49.745%0.45426%0.263SS..Hα-helixtrans-67.9-49.7177.4-56.50000111G176 L177 T178 A182 R183 E184G176-T180 WeakPolarHBondContact O-CB 3.48Å; G176-T180 PolarHBondContact O-N 3.27Å; G176-T180 PolarHBondContact O-OG1 3.03Å; L177-T180 PolarHBondContact O-N 3.36Å; T178-T180 VanDerWaalsContact C-N 3.33Å; T178-T180 PolarHBondContact O-N 3.42Å; T180-A182 VanDerWaalsContact C-N 3.28Å; T180-A182 PolarHBondContact O-N 3.41Å; T180-R183 WeakPolarHBondContact O-CB 3.3Å; T180-R183 PolarHBondContact O-N 3.35Å; T180-R183 VanDerWaalsContact O-N 3.08Å; T180-E184 PolarHBondContact O-N 3.47Å
181A98.8Very high98.7Very high12 Ų1251 Ų5110%0.09927%0.268CS..Hα-helixtrans-59.1-38.7178.100000112.1T133 L177 T178 R183 E184 L185 C192T133-A181 HydrophobicContact CG2-CB 4.37Å; L177-A181 VanDerWaalsContact O-CB 3.25Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.42Å; T178-A181 PolarHBondContact O-N 3.34Å; A181-R183 VanDerWaalsContact C-N 3.29Å; A181-R183 PolarHBondContact O-N 3.38Å; A181-E184 PolarHBondContact O-N 3.35Å; A181-L185 HydrophobicContact CB-CD1 4.26Å; A181-L185 WeakPolarHBondContact O-CB 3.46Å; A181-L185 WeakPolarHBondContact O-CG 3.44Å; A181-L185 PolarHBondContact O-N 2.88Å; A181-C192 HydrophobicContact CB-CB 4.34Å
182A98.8Very high98.7Very high7 Ų750.8 Ų50.86%0.05827%0.267CS..Hα-helixtrans-58.2-4017600000112.9T178 T180 G186 C192 T247 G248T178-A182 WeakPolarHBondContact O-CB 3.38Å; T178-A182 PolarHBondContact O-N 3.32Å; T180-A182 VanDerWaalsContact C-N 3.28Å; T180-A182 PolarHBondContact O-N 3.41Å; A182-G186 PolarHBondContact O-N 3.32Å; A182-G186 VanDerWaalsContact O-N 3.09Å; A182-C192 HydrophobicContact CB-CB 4.12Å; A182-T247 WeakPolarHBondContact CB-OG1 3.5Å; A182-G248 VanDerWaalsContact CB-CA 3.45Å; A182-G248 VanDerWaalsContact CB-N 3.33Å
183R98.8Very high98.7Very high216 Ų21648.7 Ų48.782%0.81525%0.25SC*.Hα-helixtrans-67.5-40.5178.2-67.8173.5-180-81.3-0.5111.9Q179 T180 A181Q179-R183 WeakPolarHBondContact O-CG 3.42Å; Q179-R183 PolarHBondContact O-N 3.16Å; T180-R183 WeakPolarHBondContact O-CB 3.3Å; T180-R183 PolarHBondContact O-N 3.35Å; T180-R183 VanDerWaalsContact O-N 3.08Å; A181-R183 VanDerWaalsContact C-N 3.29Å; A181-R183 PolarHBondContact O-N 3.38Å
184E98.6Very high98.7Very high124 Ų12447.6 Ų47.658%0.57924%0.238SC*.Hα-helixtrans-74.8-38.8-178.9-66.5-179.7-167.800112.7T180 A181T180-E184 PolarHBondContact O-N 3.47Å; A181-E184 PolarHBondContact O-N 3.35Å
185L98.7Very high98.7Very high19 Ų1947.6 Ų47.610%0.09924%0.238CC..Hα-helixtrans-90.5-17.6-171.1-61.6179.3000113.7A137 I149 A181 R187 H188 I190A137-L185 HydrophobicContact CB-CD1 3.77Å; A137-L185 HydrophobicContact CB-CD2 3.72Å; A137-L185 HydrophobicContact CB-CG 4.42Å; I149-L185 HydrophobicContact CD1-CD1 4.05Å; A181-L185 HydrophobicContact CB-CD1 4.26Å; A181-L185 WeakPolarHBondContact O-CB 3.46Å; A181-L185 WeakPolarHBondContact O-CG 3.44Å; A181-L185 PolarHBondContact O-N 2.88Å; L185-R187 VanDerWaalsContact C-N 3.26Å; L185-R187 PolarHBondContact O-N 2.87Å; L185-H188 WeakPolarHBondContact O-CA 3.27Å; L185-H188 WeakPolarHBondContact O-CB 3.41Å; L185-H188 PolarHBondContact O-N 2.82Å; L185-I190 CarbonylContact C-O 3.57Å; L185-I190 HydrophobicContact CB-CB 4.04Å; L185-I190 HydrophobicContact CB-CG2 4.22Å; L185-I190 HydrophobicContact CD1-CG2 4.18Å; L185-I190 PolarHBondContact O-N 2.81Å
186G98.4Very high98.7Very high39 Ų3946.5 Ų46.540%0.40223%0.233SC..G310 helixtrans-55.6-37.7-179.400000113.7A182 H188 G189A182-G186 PolarHBondContact O-N 3.32Å; A182-G186 VanDerWaalsContact O-N 3.09Å; G186-H188 PolarHBondContact O-N 2.92Å; G186-H188 VanDerWaalsContact O-N 3.15Å; G186-G189 PolarHBondContact O-N 3.07Å
187R98.1Very high98.7Very high212 Ų21245.2 Ų45.280%0.822%0.219SC*.G310 helixtrans-63.2-18.8176.273.2-179-176.9174.8-2113.9L185L185-R187 VanDerWaalsContact C-N 3.26Å; L185-R187 PolarHBondContact O-N 2.87Å
188H98.4Very high98.6Very high62 Ų6244.3 Ų44.329%0.28722%0.217SC..G310 helixtrans-96.55.7176.9-59.2-72.3000112.3V141 L185 G186 I190V141-H188 HydrophobicContact CG2-CB 3.97Å; L185-H188 WeakPolarHBondContact O-CA 3.27Å; L185-H188 WeakPolarHBondContact O-CB 3.41Å; L185-H188 PolarHBondContact O-N 2.82Å; G186-H188 PolarHBondContact O-N 2.92Å; G186-H188 VanDerWaalsContact O-N 3.15Å; H188-I190 HydrophobicContact CB-CD1 4.06Å; H188-I190 HydrophobicContact CB-CG1 4.31Å; H188-I190 PolarHBondContact O-N 3.44Å
189G98.2Very high98.4Very high23 Ų2345.8 Ų45.824%0.23722%0.224CC..THydrogen-bonded Turntrans68.323.7-176.600000113.3R146 G186R146-G189 WeakPolarHBondContact CB-O 3.43Å; G186-G189 PolarHBondContact O-N 3.07Å
190I98.8Very high98.3Very high1 Ų141.8 Ų41.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-105.1124.4176.6-59.9165.4000108.3L140 V141 G147 I149 L185 H188L140-I190 HydrophobicContact CB-CD1 3.59Å; L140-I190 HydrophobicContact CB-CG1 4.28Å; L140-I190 HydrophobicContact CD1-CD1 4.12Å; L140-I190 HydrophobicContact CD1-CG1 4.22Å; L140-I190 HydrophobicContact CD1-CG2 4.4Å; V141-I190 HydrophobicContact CG2-CD1 3.89Å; G147-I190 WeakPolarHBondContact O-CA 3.26Å; I149-I190 HydrophobicContact CD1-CG2 4.02Å; I149-I190 HydrophobicContact CG1-CG2 4.16Å; L185-I190 CarbonylContact C-O 3.57Å; L185-I190 HydrophobicContact CB-CB 4.04Å; L185-I190 HydrophobicContact CB-CG2 4.22Å; L185-I190 HydrophobicContact CD1-CG2 4.18Å; L185-I190 PolarHBondContact O-N 2.81Å; H188-I190 HydrophobicContact CB-CD1 4.06Å; H188-I190 HydrophobicContact CB-CG1 4.31Å; H188-I190 PolarHBondContact O-N 3.44Å
191R98.9Very high98Very high29 Ų2940.4 Ų40.411%0.10920%0.201CC..EExtended strand (participates in β ladder)trans-91.5144.8175.6-59.2-178.9-60.2106-1.9109.5G147 S148 I149 L238 S240 S243 I246 T247G147-R191 PolarHBondContact O-N 3.44Å; S148-R191 PolarHBondContact OG-NH2 2.86Å; I149-R191 PolarHBondContact N-O 2.96Å; R191-L238 PolarHBondContact NH1-O 3.16Å; R191-L238 VanDerWaalsContact NH1-O 3.14Å; R191-L238 PolarHBondContact NH2-O 3.29Å; R191-S240 PolarHBondContact NH2-O 2.91Å; R191-S243 WeakPolarHBondContact CD-O 3.22Å; R191-S243 VanDerWaalsContact CZ-OG 3.26Å; R191-S243 PolarHBondContact NH1-O 2.73Å; R191-S243 PolarHBondContact NH1-OG 3.48Å; R191-S243 PolarHBondContact NH2-OG 3.14Å; R191-S243 VanDerWaalsContact NH2-OG 3.1Å; R191-I246 WeakPolarHBondContact CD-O 3.43Å; R191-I246 PolarHBondContact NH1-O 3.11Å; R191-T247 WeakPolarHBondContact CA-OG1 3.35Å
192C98.9Very high97.7Very high0 Ų040.5 Ų40.50%020%0.2CC..EExtended strand (participates in β ladder)trans-134.3116.1175.4-169.60000109.4I149 A181 A182 T247 G248I149-C192 HydrophobicContact CB-CB 4.43Å; I149-C192 CarbonylContact O-C 3.58Å; I149-C192 VanDerWaalsContact O-CA 3.29Å; I149-C192 WeakPolarHBondContact O-CA 3.42Å; A181-C192 HydrophobicContact CB-CB 4.34Å; A182-C192 HydrophobicContact CB-CB 4.12Å; C192-T247 PolarHBondContact N-OG1 2.95Å; C192-T247 VanDerWaalsContact N-OG1 3.08Å; C192-G248 WeakPolarHBondContact O-CA 3.48Å; C192-G248 PolarHBondContact O-N 3.24Å
193N98.9Very high97.2Very high0 Ų043.3 Ų43.30%022%0.218CC..EExtended strand (participates in β ladder)trans-130.8164.2-178.1-64.5-67.3000110.9I149 I150 N151 T178 L238 I246 T247 G248 A249I149-N193 PolarHBondContact O-N 2.94Å; I150-N193 CarbonylContact C-O 3.59Å; I150-N193 WeakPolarHBondContact CA-O 3.43Å; N151-N193 PolarHBondContact N-O 3.12Å; T178-N193 VanDerWaalsContact CG2-CA 3.48Å; N193-L238 HydrophobicContact CB-CD1 4.08Å; N193-L238 HydrophobicContact CB-CD2 4.28Å; N193-I246 PolarHBondContact ND2-O 3.3Å; N193-T247 VanDerWaalsContact OD1-C 3.32Å; N193-T247 WeakPolarHBondContact OD1-CA 3.38Å; N193-T247 PolarHBondContact OD1-N 3.2Å; N193-G248 PolarHBondContact OD1-N 2.97Å; N193-A249 WeakPolarHBondContact OD1-CB 3.29Å; N193-A249 PolarHBondContact OD1-N 3.19Å
194S98.9Very high96.5Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-124.3145.1175.7560000110.7N151 A249 S250 V251N151-S194 WeakPolarHBondContact O-CA 3.42Å; N151-S194 WeakPolarHBondContact O-CB 3.44Å; S194-A249 PolarHBondContact N-O 2.88Å; S194-A249 PolarHBondContact OG-O 2.9Å; S194-A249 VanDerWaalsContact OG-O 3.07Å; S194-S250 WeakPolarHBondContact O-CA 3.35Å; S194-S250 WeakPolarHBondContact OG-CA 3.38Å; S194-S250 WeakPolarHBondContact OG-CB 3.1Å; S194-S250 PolarHBondContact OG-OG 3.17Å; S194-V251 PolarHBondContact O-N 3.06Å
195V98.9Very high95.8Very high0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-111.8134.2171.2-1770000107.5I150 N151 I152 S153 P197 V231 V234 V235 L238 V251 V253I150-V195 HydrophobicContact CG2-CG2 3.88Å; N151-V195 PolarHBondContact O-N 2.74Å; I152-V195 HydrophobicContact CD1-CB 4.04Å; I152-V195 HydrophobicContact CD1-CG2 4.43Å; S153-V195 WeakPolarHBondContact CA-O 3.46Å; S153-V195 PolarHBondContact N-O 2.79Å; V195-P197 VanDerWaalsContact O-CD 3.27Å; V195-P197 WeakPolarHBondContact O-CD 3.41Å; V195-V231 HydrophobicContact CG1-CG1 3.99Å; V195-V234 HydrophobicContact CG1-CG1 4.35Å; V195-V234 HydrophobicContact CG2-CG1 3.97Å; V195-V235 HydrophobicContact CG2-CG2 4.07Å; V195-L238 HydrophobicContact CG2-CD1 3.58Å; V195-V251 CarbonylContact C-O 3.47Å; V195-V251 WeakPolarHBondContact CA-O 3.21Å; V195-V253 HydrophobicContact CG1-CB 4.45Å; V195-V253 HydrophobicContact CG1-CG2 3.66Å
196L98.6Very high95.2Very high2 Ų237.5 Ų37.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-115.285.9-177.2-77.366.3000108.5I175 V251 E252 V253I175-L196 HydrophobicContact CD1-CD2 3.82Å; I175-L196 HydrophobicContact CD1-CG 4.37Å; I175-L196 HydrophobicContact CG1-CD1 4.34Å; L196-V251 PolarHBondContact N-O 3.4Å; L196-E252 HydrophobicContact CB-CG 4.19Å; L196-E252 HydrophobicContact CD2-CG 4.29Å; L196-V253 PolarHBondContact O-N 3.36Å
197P98.3Very high94.5Very high6 Ų644.6 Ų44.64%0.03922%0.221CC..EExtended strand (participates in β ladder)trans-63.8145.3174.1-2133.2000111.8I21 I152 I155 V195 I200 V231 V253I21-P197 HydrophobicContact CD1-CB 4.38Å; I21-P197 HydrophobicContact CD1-CG 4.22Å; I152-P197 HydrophobicContact CG2-CG 3.97Å; I155-P197 PolarHBondContact N-O 2.91Å; V195-P197 VanDerWaalsContact O-CD 3.27Å; V195-P197 WeakPolarHBondContact O-CD 3.41Å; P197-I200 HydrophobicContact CB-CD1 4.27Å; P197-I200 HydrophobicContact CB-CG1 3.75Å; P197-V231 HydrophobicContact CB-CG2 3.93Å; P197-V231 HydrophobicContact CG-CG1 3.96Å; P197-V231 HydrophobicContact CG-CG2 3.89Å; P197-V253 CarbonylContact C-O 3.58Å; P197-V253 WeakPolarHBondContact CA-O 3.25Å
198G96.3Very high93.9Very high13 Ų1336.3 Ų36.313%0.13419%0.192CC..  trans-79.5-140.9161.500000111.5I200 V253G198-I200 PolarHBondContact O-N 3.3Å; G198-V253 PolarHBondContact N-O 3.38Å
199F95.1Very high93.5Very high32 Ų3237.4 Ų37.414%0.1421%0.205CC..SBendtrans-82.5113.8174-73-94.1000110.1M208 V216 M225 G226 L257F199-M208 HydrophobicContact CD1-CE 3.99Å; F199-M208 HydrophobicContact CD1-SD 3.95Å; F199-M208 HydrophobicContact CE1-CE 3.65Å; F199-M208 HydrophobicContact CE1-SD 3.94Å; F199-V216 HydrophobicContact CB-CG1 3.89Å; F199-V216 HydrophobicContact CD1-CG1 3.96Å; F199-V216 HydrophobicContact CD2-CG1 3.31Å; F199-V216 HydrophobicContact CD2-CG2 4.5Å; F199-V216 HydrophobicContact CE1-CG1 4.31Å; F199-V216 HydrophobicContact CE1-CG2 4.16Å; F199-V216 HydrophobicContact CE2-CG1 3.71Å; F199-V216 HydrophobicContact CE2-CG2 4.09Å; F199-V216 HydrophobicContact CG-CG1 3.44Å; F199-V216 VanDerWaalsContact CG-CG1 3.44Å; F199-V216 HydrophobicContact CZ-CG1 4.19Å; F199-V216 HydrophobicContact CZ-CG2 3.91Å; F199-M225 HydrophobicContact CB-CE 3.84Å; F199-M225 HydrophobicContact CB-CG 4.18Å; F199-M225 WeakPolarHBondContact O-CB 3.44Å; F199-G226 PolarHBondContact O-N 3.45Å; F199-L257 HydrophobicContact CD2-CD2 3.41Å; F199-L257 VanDerWaalsContact CD2-CD2 3.41Å; F199-L257 HydrophobicContact CE2-CD2 3.68Å
200I96.9Very high93.1Very high7 Ų741.8 Ų41.84%0.03622%0.219CC..BIsolated β-bridgetrans-111.5136.3-178.1-53.3-57.6000110.1I21 P197 G198 T202 T205 G226 D227 P228 V231I21-I200 HydrophobicContact CD1-CB 4.22Å; I21-I200 HydrophobicContact CD1-CG1 4.1Å; I21-I200 HydrophobicContact CD1-CG2 4.29Å; I21-I200 HydrophobicContact CG1-CG2 4.1Å; P197-I200 HydrophobicContact CB-CD1 4.27Å; P197-I200 HydrophobicContact CB-CG1 3.75Å; G198-I200 PolarHBondContact O-N 3.3Å; I200-T202 HydrophobicContact CB-CG2 4.26Å; I200-T202 HydrophobicContact CG2-CG2 3.87Å; I200-T202 PolarHBondContact O-N 2.99Å; I200-T202 PolarHBondContact O-OG1 3.43Å; I200-T205 WeakPolarHBondContact O-CB 3.19Å; I200-T205 WeakPolarHBondContact O-CG2 3.27Å; I200-T205 PolarHBondContact O-OG1 3.41Å; I200-G226 CarbonylContact C-O 3.52Å; I200-G226 WeakPolarHBondContact CA-O 3.43Å; I200-G226 WeakPolarHBondContact CG2-O 3.45Å; I200-D227 VanDerWaalsContact CG2-C 3.44Å; I200-P228 HydrophobicContact CG2-CG 4.1Å; I200-V231 HydrophobicContact CD1-CG2 3.87Å; I200-V231 HydrophobicContact CG1-CG2 3.95Å
201A93.9Very high92.7Very high44 Ų4449.9 Ų49.936%0.36425%0.254SS..  trans-66.196.417700000111G226 P228A201-G226 PolarHBondContact N-O 3.19Å; A201-P228 WeakPolarHBondContact O-CD 3.44Å; A201-P228 WeakPolarHBondContact O-CG 3.31Å
202T92Very high92.2Very high15 Ų1551.4 Ų51.49%0.09227%0.267CS..SBendtrans-141.1167.5-176.760.30000110.2I21 I200 M204 T205 Q206 P228I21-T202 HydrophobicContact CG1-CG2 4.08Å; I200-T202 HydrophobicContact CB-CG2 4.26Å; I200-T202 HydrophobicContact CG2-CG2 3.87Å; I200-T202 PolarHBondContact O-N 2.99Å; I200-T202 PolarHBondContact O-OG1 3.43Å; T202-M204 PolarHBondContact O-N 3.35Å; T202-M204 PolarHBondContact OG1-N 3.14Å; T202-T205 PolarHBondContact N-OG1 3.08Å; T202-T205 PolarHBondContact O-N 3.43Å; T202-T205 VanDerWaalsContact O-N 3.08Å; T202-T205 PolarHBondContact O-OG1 2.83Å; T202-T205 VanDerWaalsContact O-OG1 3.12Å; T202-Q206 WeakPolarHBondContact O-CG 3.35Å; T202-Q206 PolarHBondContact O-N 2.73Å; T202-P228 HydrophobicContact CG2-CG 4.09Å
203P88.1Confident91.8Very high65 Ų6553.4 Ų53.442%0.42228%0.276SS..THydrogen-bonded Turntrans-54.2-25.7171.4-27.836.5000114.2
204M84.3Confident91.4Very high84 Ų8457.9 Ų57.941%0.41430%0.3SS..THydrogen-bonded Turntrans-68.7-47.2176-174.5-178.8-70.100111.8T105 T202T105-M204 HydrophobicContact CG2-SD 3.99Å; T202-M204 PolarHBondContact O-N 3.35Å; T202-M204 PolarHBondContact OG1-N 3.14Å
205T84.1Confident91Very high19 Ų1965.2 Ų65.212%0.11733%0.331CS..G310 helixtrans-81.7-19.4-17852.60000113.3I200 T202 K207 M208 M225I200-T205 WeakPolarHBondContact O-CB 3.19Å; I200-T205 WeakPolarHBondContact O-CG2 3.27Å; I200-T205 PolarHBondContact O-OG1 3.41Å; T202-T205 PolarHBondContact N-OG1 3.08Å; T202-T205 PolarHBondContact O-N 3.43Å; T202-T205 VanDerWaalsContact O-N 3.08Å; T202-T205 PolarHBondContact O-OG1 2.83Å; T202-T205 VanDerWaalsContact O-OG1 3.12Å; T205-K207 PolarHBondContact O-N 2.87Å; T205-K207 VanDerWaalsContact O-N 3.16Å; T205-M208 HydrophobicContact CG2-SD 4.14Å; T205-M208 VanDerWaalsContact O-CB 3.27Å; T205-M208 WeakPolarHBondContact O-CB 3.49Å; T205-M208 WeakPolarHBondContact O-CG 3.4Å; T205-M208 PolarHBondContact O-N 2.96Å; T205-M225 HydrophobicContact CG2-CE 3.93Å
206Q85.1Confident90.6Very high135 Ų13565.8 Ų65.863%0.63134%0.335SS*.G310 helixtrans-58.6-26172.6-78.6174.10.700113.2T202 M208T202-Q206 WeakPolarHBondContact O-CG 3.35Å; T202-Q206 PolarHBondContact O-N 2.73Å; Q206-M208 PolarHBondContact O-N 2.87Å
207K85Confident90.3Very high187 Ų18767.5 Ų67.581%0.81335%0.346SS*.G310 helixtrans-73.6-11.9177.1-61.4-179.4-177.6-179.50113.6T205T205-K207 PolarHBondContact O-N 2.87Å; T205-K207 VanDerWaalsContact O-N 3.16Å
208M85.1Confident90.2Very high38 Ų3871.4 Ų71.419%0.18738%0.379CS..SBendtrans-70.5139.3179.4-65.4172.862.200110.7F199 T205 Q206 V212 K213 V216F199-M208 HydrophobicContact CD1-CE 3.99Å; F199-M208 HydrophobicContact CD1-SD 3.95Å; F199-M208 HydrophobicContact CE1-CE 3.65Å; F199-M208 HydrophobicContact CE1-SD 3.94Å; T205-M208 HydrophobicContact CG2-SD 4.14Å; T205-M208 VanDerWaalsContact O-CB 3.27Å; T205-M208 WeakPolarHBondContact O-CB 3.49Å; T205-M208 WeakPolarHBondContact O-CG 3.4Å; T205-M208 PolarHBondContact O-N 2.96Å; Q206-M208 PolarHBondContact O-N 2.87Å; M208-V212 HydrophobicContact CE-CB 4.27Å; M208-V212 HydrophobicContact CE-CG1 3.49Å; M208-V212 VanDerWaalsContact CE-CG1 3.49Å; M208-K213 HydrophobicContact CB-CG 4.03Å; M208-K213 VanDerWaalsContact O-CE 3.26Å; M208-K213 WeakPolarHBondContact O-CE 3.47Å; M208-V216 HydrophobicContact CE-CG2 4.25Å
209P89.6Confident90.1Very high86 Ų8675.7 Ų75.756%0.55840%0.396SS*.  trans-60.4144.1171.9-20.631.5000111.5K211 V212 K213P209-K211 VanDerWaalsContact C-N 3.3Å; P209-K211 PolarHBondContact O-N 3.25Å; P209-V212 HydrophobicContact CB-CG2 4.13Å; P209-V212 HydrophobicContact CG-CG2 4.16Å; P209-V212 WeakPolarHBondContact O-CA 3.46Å; P209-V212 WeakPolarHBondContact O-CB 3.43Å; P209-V212 PolarHBondContact O-N 3.23Å; P209-K213 PolarHBondContact O-N 2.95Å; P209-K213 VanDerWaalsContact O-N 3.16Å
210E90.1Very high90.1Very high115 Ų11574.6 Ų74.654%0.53739%0.392SS..Hα-helixtrans-57.7-41.6-174.1-155.559.6-157.600112.9V212 K213 D214E210-V212 PolarHBondContact O-N 3.48Å; E210-V212 VanDerWaalsContact O-N 3.11Å; E210-K213 WeakPolarHBondContact O-CA 3.35Å; E210-K213 WeakPolarHBondContact O-CB 3.48Å; E210-K213 PolarHBondContact O-N 2.86Å; E210-K213 IonicContact OE2-NZ 3.37Å; E210-K213 PolarHBondContact OE2-NZ 3.18Å; E210-D214 PolarHBondContact O-N 2.72Å
211K90.5Very high90.2Very high170 Ų17078.3 Ų78.374%0.73942%0.416SS*.Hα-helixtrans-57.9-29.2174.6-64.3-173.4179.6-178.90113.7P209 K215P209-K211 VanDerWaalsContact C-N 3.3Å; P209-K211 PolarHBondContact O-N 3.25Å; K211-K215 VanDerWaalsContact O-CG 3.27Å; K211-K215 WeakPolarHBondContact O-CG 3.44Å; K211-K215 PolarHBondContact O-N 3.49Å
212V88.7Confident90.3Very high62 Ų6281.7 Ų81.738%0.37643%0.428SS..Hα-helixtrans-77.5-40.8176-176.60000109.6M208 P209 E210 K215 V216M208-V212 HydrophobicContact CE-CB 4.27Å; M208-V212 HydrophobicContact CE-CG1 3.49Å; M208-V212 VanDerWaalsContact CE-CG1 3.49Å; P209-V212 HydrophobicContact CB-CG2 4.13Å; P209-V212 HydrophobicContact CG-CG2 4.16Å; P209-V212 WeakPolarHBondContact O-CA 3.46Å; P209-V212 WeakPolarHBondContact O-CB 3.43Å; P209-V212 PolarHBondContact O-N 3.23Å; E210-V212 PolarHBondContact O-N 3.48Å; E210-V212 VanDerWaalsContact O-N 3.11Å; V212-K215 PolarHBondContact O-N 3.41Å; V212-V216 HydrophobicContact CG1-CG2 4.4Å; V212-V216 WeakPolarHBondContact O-CB 3.31Å; V212-V216 VanDerWaalsContact O-CG2 3.31Å; V212-V216 WeakPolarHBondContact O-CG2 3.35Å; V212-V216 PolarHBondContact O-N 3.08Å
213K88.8Confident90.5Very high41 Ų4183.3 Ų83.318%0.17845%0.447CS..Hα-helixtrans-61.1-43.9174.6-61.7-174.8-163.6148.30112M208 P209 E210 K215 V216 T217M208-K213 HydrophobicContact CB-CG 4.03Å; M208-K213 VanDerWaalsContact O-CE 3.26Å; M208-K213 WeakPolarHBondContact O-CE 3.47Å; P209-K213 PolarHBondContact O-N 2.95Å; P209-K213 VanDerWaalsContact O-N 3.16Å; E210-K213 WeakPolarHBondContact O-CA 3.35Å; E210-K213 WeakPolarHBondContact O-CB 3.48Å; E210-K213 PolarHBondContact O-N 2.86Å; E210-K213 IonicContact OE2-NZ 3.37Å; E210-K213 PolarHBondContact OE2-NZ 3.18Å; K213-K215 PolarHBondContact O-N 2.94Å; K213-V216 PolarHBondContact O-N 3.22Å; K213-T217 VanDerWaalsContact O-CB 3.29Å; K213-T217 WeakPolarHBondContact O-CB 3.34Å; K213-T217 PolarHBondContact O-N 3.43Å; K213-T217 PolarHBondContact O-OG1 2.9Å
214D91.2Very high90.9Very high95 Ų9584.8 Ų84.851%0.50845%0.448SS..Hα-helixtrans-59.7-47177.4-66.8-26.7000111.3E210 T217 A218E210-D214 PolarHBondContact O-N 2.72Å; D214-T217 PolarHBondContact O-N 3.27Å; D214-A218 WeakPolarHBondContact O-CB 3.41Å; D214-A218 PolarHBondContact O-N 3.16Å
215K91.3Very high91.4Very high153 Ų15382.3 Ų82.367%0.66544%0.436SS*.Hα-helixtrans-61.3-46.9177.6-78179.2178.8-171.50111.9K211 V212 K213 A218 M219K211-K215 VanDerWaalsContact O-CG 3.27Å; K211-K215 WeakPolarHBondContact O-CG 3.44Å; K211-K215 PolarHBondContact O-N 3.49Å; V212-K215 PolarHBondContact O-N 3.41Å; K213-K215 PolarHBondContact O-N 2.94Å; K215-A218 PolarHBondContact O-N 3.45Å; K215-M219 WeakPolarHBondContact O-CG 3.25Å; K215-M219 PolarHBondContact O-N 2.95Å
216V90.2Very high92Very high12 Ų1282 Ų827%0.07344%0.437CS..Hα-helixtrans-61-48177.6165.40000110F199 M208 V212 K213 A218 M219 I220F199-V216 HydrophobicContact CB-CG1 3.89Å; F199-V216 HydrophobicContact CD1-CG1 3.96Å; F199-V216 HydrophobicContact CD2-CG1 3.31Å; F199-V216 HydrophobicContact CD2-CG2 4.5Å; F199-V216 HydrophobicContact CE1-CG1 4.31Å; F199-V216 HydrophobicContact CE1-CG2 4.16Å; F199-V216 HydrophobicContact CE2-CG1 3.71Å; F199-V216 HydrophobicContact CE2-CG2 4.09Å; F199-V216 HydrophobicContact CG-CG1 3.44Å; F199-V216 VanDerWaalsContact CG-CG1 3.44Å; F199-V216 HydrophobicContact CZ-CG1 4.19Å; F199-V216 HydrophobicContact CZ-CG2 3.91Å; M208-V216 HydrophobicContact CE-CG2 4.25Å; V212-V216 HydrophobicContact CG1-CG2 4.4Å; V212-V216 WeakPolarHBondContact O-CB 3.31Å; V212-V216 VanDerWaalsContact O-CG2 3.31Å; V212-V216 WeakPolarHBondContact O-CG2 3.35Å; V212-V216 PolarHBondContact O-N 3.08Å; K213-V216 PolarHBondContact O-N 3.22Å; V216-A218 VanDerWaalsContact C-N 3.3Å; V216-A218 PolarHBondContact O-N 3.41Å; V216-M219 WeakPolarHBondContact O-CB 3.44Å; V216-M219 PolarHBondContact O-N 2.88Å; V216-I220 HydrophobicContact CG1-CD1 4.16Å; V216-I220 WeakPolarHBondContact O-CG1 3.33Å; V216-I220 PolarHBondContact O-N 2.67Å
217T92.8Very high92.6Very high38 Ų3879.5 Ų79.523%0.23343%0.428CS..Hα-helixtrans-59.1-40.9-179.5-58.40000111.8K213 D214 M219 I220 G223K213-T217 VanDerWaalsContact O-CB 3.29Å; K213-T217 WeakPolarHBondContact O-CB 3.34Å; K213-T217 PolarHBondContact O-N 3.43Å; K213-T217 PolarHBondContact O-OG1 2.9Å; D214-T217 PolarHBondContact O-N 3.27Å; T217-M219 PolarHBondContact O-N 3.33Å; T217-I220 PolarHBondContact O-N 3.47Å; T217-G223 WeakPolarHBondContact CG2-O 3.48Å
218A94.6Very high93.3Very high89 Ų8971.4 Ų71.474%0.73640%0.395SS*.Hα-helixtrans-64.2-21.617600000114D214 K215 V216D214-A218 WeakPolarHBondContact O-CB 3.41Å; D214-A218 PolarHBondContact O-N 3.16Å; K215-A218 PolarHBondContact O-N 3.45Å; V216-A218 VanDerWaalsContact C-N 3.3Å; V216-A218 PolarHBondContact O-N 3.41Å
219M94.3Very high93.9Very high103 Ų10374.7 Ų74.751%0.50741%0.41SS..Hα-helixtrans-89-13.2174.5-60.5-174.6-34.700113K215 V216 T217 P221 L257 F258K215-M219 WeakPolarHBondContact O-CG 3.25Å; K215-M219 PolarHBondContact O-N 2.95Å; V216-M219 WeakPolarHBondContact O-CB 3.44Å; V216-M219 PolarHBondContact O-N 2.88Å; T217-M219 PolarHBondContact O-N 3.33Å; M219-P221 VanDerWaalsContact O-CD 3.29Å; M219-P221 WeakPolarHBondContact O-CD 3.22Å; M219-L257 HydrophobicContact CB-CD1 3.59Å; M219-L257 HydrophobicContact CE-CD1 4.01Å; M219-L257 WeakPolarHBondContact O-CD1 3.35Å; M219-F258 HydrophobicContact CE-CE1 4.4Å; M219-F258 HydrophobicContact CE-CZ 4.2Å
220I96.6Very high94.3Very high8 Ų873.9 Ų73.94%0.04140%0.4CS..SBendtrans-82.7119.2179.4-60.2170.3000108.2V216 T217 L222 G223 H224 M225 G255 L257V216-I220 HydrophobicContact CG1-CD1 4.16Å; V216-I220 WeakPolarHBondContact O-CG1 3.33Å; V216-I220 PolarHBondContact O-N 2.67Å; T217-I220 PolarHBondContact O-N 3.47Å; I220-L222 VanDerWaalsContact C-N 3.27Å; I220-L222 HydrophobicContact CG2-CB 4.33Å; I220-L222 PolarHBondContact O-N 3.33Å; I220-G223 WeakPolarHBondContact O-CA 3.34Å; I220-G223 PolarHBondContact O-N 3.18Å; I220-H224 WeakPolarHBondContact CD1-O 3.44Å; I220-H224 WeakPolarHBondContact CG2-O 3.43Å; I220-M225 HydrophobicContact CD1-CG 4.34Å; I220-G255 WeakPolarHBondContact CG2-O 3.33Å; I220-L257 HydrophobicContact CG1-CB 4.21Å; I220-L257 HydrophobicContact CG1-CD1 3.97Å; I220-L257 HydrophobicContact CG1-CD2 4.31Å; I220-L257 HydrophobicContact CG1-CG 4.4Å
221P97.5Very high94.7Very high85 Ų8568.4 Ų68.455%0.55238%0.375SS*.THydrogen-bonded Turntrans-55.6-35.4178-31.537.9000115.3M219 G223 G255 G256 M259M219-P221 VanDerWaalsContact O-CD 3.29Å; M219-P221 WeakPolarHBondContact O-CD 3.22Å; P221-G223 PolarHBondContact O-N 2.85Å; P221-G255 WeakPolarHBondContact CD-O 3.47Å; P221-G256 WeakPolarHBondContact CD-O 3.47Å; P221-G256 WeakPolarHBondContact CG-O 3.29Å; P221-M259 HydrophobicContact CG-CE 4.08Å
222L97.3Very high95.1Very high116 Ų11660.3 Ų60.361%0.60734%0.34SS*.THydrogen-bonded Turntrans-73.2-6.7174.1-63.8-173000113.8I220 H224 G255I220-L222 VanDerWaalsContact C-N 3.27Å; I220-L222 HydrophobicContact CG2-CB 4.33Å; I220-L222 PolarHBondContact O-N 3.33Å; L222-H224 VanDerWaalsContact C-N 3.29Å; L222-H224 PolarHBondContact O-CD2 2.91Å; L222-H224 PolarHBondContact O-N 3.22Å; L222-G255 WeakPolarHBondContact CG-O 3.41Å; L222-G255 PolarHBondContact N-O 2.89Å
223G95.8Very high95.6Very high48 Ų4860.8 Ų60.850%0.49534%0.34SS..SBendtrans768172.200000115.5T217 I220 P221T217-G223 WeakPolarHBondContact CG2-O 3.48Å; I220-G223 WeakPolarHBondContact O-CA 3.34Å; I220-G223 PolarHBondContact O-N 3.18Å; P221-G223 PolarHBondContact O-N 2.85Å
224H95.4Very high96.1Very high97 Ų9760.4 Ų60.445%0.44934%0.341SS..SBendtrans-148157.3176.265.490.5000111.6I220 L222I220-H224 WeakPolarHBondContact CD1-O 3.44Å; I220-H224 WeakPolarHBondContact CG2-O 3.43Å; L222-H224 VanDerWaalsContact C-N 3.29Å; L222-H224 PolarHBondContact O-CD2 2.91Å; L222-H224 PolarHBondContact O-N 3.22Å
225M95.9Very high96.4Very high31 Ų3155.9 Ų55.915%0.15332%0.317CS..PPolyproline II helixtrans-64.8146.6165.5-70.517967.700109.9F199 T205 I220F199-M225 HydrophobicContact CB-CE 3.84Å; F199-M225 HydrophobicContact CB-CG 4.18Å; F199-M225 WeakPolarHBondContact O-CB 3.44Å; T205-M225 HydrophobicContact CG2-CE 3.93Å; I220-M225 HydrophobicContact CD1-CG 4.34Å
226G97.1Very high96.8Very high14 Ų1448.6 Ų48.614%0.14429%0.285CS..BIsolated β-bridgetrans-72159.9174.700000111.9F199 I200 A201 D230F199-G226 PolarHBondContact O-N 3.45Å; I200-G226 CarbonylContact C-O 3.52Å; I200-G226 WeakPolarHBondContact CA-O 3.43Å; I200-G226 WeakPolarHBondContact CG2-O 3.45Å; A201-G226 PolarHBondContact N-O 3.19Å; G226-D230 VanDerWaalsContact CA-OD2 3.29Å; G226-D230 WeakPolarHBondContact CA-OD2 3.27Å
227D97.8Very high97.2Very high82 Ų8251.6 Ų51.644%0.43930%0.297SS..PPolyproline II helixtrans-94.1155.6172.1-71.6-42.1000110.8I200 E229 D230I200-D227 VanDerWaalsContact CG2-C 3.44Å; D227-E229 PolarHBondContact O-N 3.41Å; D227-E229 VanDerWaalsContact O-N 3.13Å; D227-D230 PolarHBondContact N-OD2 3.05Å; D227-D230 WeakPolarHBondContact O-CB 3.27Å; D227-D230 PolarHBondContact O-N 2.91Å
228P98.3Very high97.5Very high17 Ų1749.8 Ų49.811%0.1129%0.286CS..Hα-helixtrans-51.3-33.2173.9-29.738.4000113.5A24 I200 A201 T202 V231 A232A24-P228 HydrophobicContact CB-CB 3.43Å; A24-P228 VanDerWaalsContact CB-CB 3.43Å; I200-P228 HydrophobicContact CG2-CG 4.1Å; A201-P228 WeakPolarHBondContact O-CD 3.44Å; A201-P228 WeakPolarHBondContact O-CG 3.31Å; T202-P228 HydrophobicContact CG2-CG 4.09Å; P228-V231 PolarHBondContact O-N 3.49Å; P228-A232 PolarHBondContact O-N 3.41Å
229E98.4Very high97.7Very high107 Ų10746 Ų4650%0.526%0.255SS..Hα-helixtrans-63.9-36.9177.3-70.970.5-160.500112.4D227 V231 A232 D233D227-E229 PolarHBondContact O-N 3.41Å; D227-E229 VanDerWaalsContact O-N 3.13Å; E229-V231 PolarHBondContact O-N 2.89Å; E229-A232 WeakPolarHBondContact O-CB 3.44Å; E229-A232 PolarHBondContact O-N 3.29Å; E229-D233 WeakPolarHBondContact O-CB 3.5Å; E229-D233 VanDerWaalsContact O-CG 3.31Å; E229-D233 PolarHBondContact O-N 2.78Å
230D98.4Very high97.8Very high68 Ų6841.1 Ų41.136%0.36423%0.231SC..Hα-helixtrans-58.3-37.9176.8-65.7-40.4000111.4G226 D227 V253G226-D230 VanDerWaalsContact CA-OD2 3.29Å; G226-D230 WeakPolarHBondContact CA-OD2 3.27Å; D227-D230 PolarHBondContact N-OD2 3.05Å; D227-D230 WeakPolarHBondContact O-CB 3.27Å; D227-D230 PolarHBondContact O-N 2.91Å; D230-V253 HydrophobicContact CB-CG1 4.03Å
231V98.8Very high97.8Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-74.3-42.6175.3-175.70000110.6I21 I152 V195 P197 I200 P228 E229 D233 V234 V235 V253I21-V231 HydrophobicContact CD1-CG2 4.31Å; I21-V231 HydrophobicContact CG1-CG2 4.47Å; I21-V231 HydrophobicContact CG2-CB 4.06Å; I21-V231 HydrophobicContact CG2-CG1 3.67Å; I152-V231 HydrophobicContact CD1-CG1 4.48Å; V195-V231 HydrophobicContact CG1-CG1 3.99Å; P197-V231 HydrophobicContact CB-CG2 3.93Å; P197-V231 HydrophobicContact CG-CG1 3.96Å; P197-V231 HydrophobicContact CG-CG2 3.89Å; I200-V231 HydrophobicContact CD1-CG2 3.87Å; I200-V231 HydrophobicContact CG1-CG2 3.95Å; P228-V231 PolarHBondContact O-N 3.49Å; E229-V231 PolarHBondContact O-N 2.89Å; V231-D233 VanDerWaalsContact C-N 3.25Å; V231-D233 PolarHBondContact O-N 3.47Å; V231-V234 PolarHBondContact O-N 3.14Å; V231-V235 HydrophobicContact CG1-CG2 4.41Å; V231-V235 WeakPolarHBondContact O-CG2 3.37Å; V231-V235 PolarHBondContact O-N 3.4Å; V231-V253 HydrophobicContact CG2-CB 4.49Å; V231-V253 HydrophobicContact CG2-CG1 4.16Å
232A98.8Very high97.7Very high1 Ų149.3 Ų49.31%0.00827%0.265CS..Hα-helixtrans-60.4-35.6-179.400000112.7A24 I25 R28 P228 E229 V235 A236A24-A232 HydrophobicContact CB-CB 4.23Å; I25-A232 HydrophobicContact CG1-CB 4.01Å; R28-A232 HydrophobicContact CB-CB 3.79Å; R28-A232 HydrophobicContact CG-CB 4.21Å; P228-A232 PolarHBondContact O-N 3.41Å; E229-A232 WeakPolarHBondContact O-CB 3.44Å; E229-A232 PolarHBondContact O-N 3.29Å; A232-V235 PolarHBondContact O-N 2.86Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3.41Å
233D98.6Very high97.8Very high72 Ų7243.9 Ų43.939%0.38524%0.237SC..Hα-helixtrans-64.8-44.6179.1-78.723.4000112R28 E229 V231 A236 F237R28-D233 IonicContact CZ-OD1 3.52Å; R28-D233 IonicContact NH1-OD1 2.58Å; R28-D233 PolarHBondContact NH1-OD1 3.27Å; R28-D233 IonicContact NH1-OD2 2.86Å; R28-D233 PolarHBondContact NH1-OD2 3.11Å; E229-D233 WeakPolarHBondContact O-CB 3.5Å; E229-D233 VanDerWaalsContact O-CG 3.31Å; E229-D233 PolarHBondContact O-N 2.78Å; V231-D233 VanDerWaalsContact C-N 3.25Å; V231-D233 PolarHBondContact O-N 3.47Å; D233-A236 PolarHBondContact O-N 2.71Å; D233-F237 PolarHBondContact O-N 3.27Å
234V98.8Very high97.9Very high32 Ų3243.5 Ų43.519%0.19423%0.233CC..Hα-helixtrans-66.2-40.2174.2175.70000111V195 V231 A236 F237 L238 V251 V253V195-V234 HydrophobicContact CG1-CG1 4.35Å; V195-V234 HydrophobicContact CG2-CG1 3.97Å; V231-V234 PolarHBondContact O-N 3.14Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.09Å; V234-F237 WeakPolarHBondContact O-CB 3.41Å; V234-F237 PolarHBondContact O-N 3.06Å; V234-L238 HydrophobicContact CG1-CD1 4.08Å; V234-L238 HydrophobicContact CG1-CG 4.38Å; V234-L238 WeakPolarHBondContact O-CB 3.26Å; V234-L238 WeakPolarHBondContact O-CG 3.31Å; V234-L238 PolarHBondContact O-N 3.29Å; V234-V251 HydrophobicContact CG1-CB 4.17Å; V234-V251 HydrophobicContact CG1-CG1 3.78Å; V234-V253 HydrophobicContact CB-CG2 4.12Å; V234-V253 HydrophobicContact CG1-CG2 4.31Å; V234-V253 HydrophobicContact CG2-CG2 3.69Å
235V98.9Very high98Very high0 Ų050.3 Ų50.30%026%0.256CS..Hα-helixtrans-62.9-41.7176.1173.10000111.1I25 V99 I150 I152 V195 V231 A232 L238 A239I25-V235 HydrophobicContact CD1-CB 4.43Å; I25-V235 HydrophobicContact CD1-CG1 4.43Å; I25-V235 HydrophobicContact CD1-CG2 3.86Å; I25-V235 HydrophobicContact CG1-CB 4.21Å; I25-V235 HydrophobicContact CG1-CG1 4.3Å; I25-V235 HydrophobicContact CG1-CG2 4.11Å; I25-V235 HydrophobicContact CG2-CB 4.5Å; I25-V235 HydrophobicContact CG2-CG1 3.75Å; V99-V235 HydrophobicContact CG1-CG1 4.23Å; V99-V235 HydrophobicContact CG2-CG1 3.77Å; I150-V235 HydrophobicContact CG2-CG1 4.49Å; I150-V235 HydrophobicContact CG2-CG2 4.17Å; I152-V235 HydrophobicContact CD1-CG2 3.8Å; V195-V235 HydrophobicContact CG2-CG2 4.07Å; V231-V235 HydrophobicContact CG1-CG2 4.41Å; V231-V235 WeakPolarHBondContact O-CG2 3.37Å; V231-V235 PolarHBondContact O-N 3.4Å; A232-V235 PolarHBondContact O-N 2.86Å; V235-L238 CarbonylContact O-C 3.54Å; V235-L238 PolarHBondContact O-N 3.2Å; V235-A239 VanDerWaalsContact O-CB 3.27Å; V235-A239 WeakPolarHBondContact O-CB 3.29Å; V235-A239 PolarHBondContact O-N 2.88Å
236A98.6Very high98.1Very high0 Ų051.5 Ų51.50%026%0.263CS..Hα-helixtrans-63.6-41.1176.500000112.2R28 L29 A232 D233 V234 A239 S240R28-A236 HydrophobicContact CG-CB 3.76Å; L29-A236 HydrophobicContact CD2-CB 4.24Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3.41Å; D233-A236 PolarHBondContact O-N 2.71Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.09Å; A236-A239 PolarHBondContact O-N 3.35Å; A236-S240 PolarHBondContact O-N 2.84Å; A236-S240 VanDerWaalsContact O-N 3.14Å
237F98.7Very high98.2Very high75 Ų7553.9 Ų53.933%0.32928%0.275SS..Hα-helixtrans-58.9-50.9171.3166.6-109.7000111.5D233 V234 A239 S240 D242 S243 I246D233-F237 PolarHBondContact O-N 3.27Å; V234-F237 WeakPolarHBondContact O-CB 3.41Å; V234-F237 PolarHBondContact O-N 3.06Å; F237-A239 PolarHBondContact O-N 3.33Å; F237-S240 PolarHBondContact O-N 3.3Å; F237-S240 VanDerWaalsContact O-N 3.1Å; F237-S240 PolarHBondContact O-OG 2.78Å; F237-D242 HydrophobicContact CD2-CB 3.75Å; F237-D242 HydrophobicContact CE2-CB 3.67Å; F237-S243 WeakPolarHBondContact O-CB 3.46Å; F237-S243 PolarHBondContact O-OG 2.95Å; F237-I246 HydrophobicContact CE1-CD1 3.69Å; F237-I246 HydrophobicContact CZ-CD1 3.66Å
238L98.8Very high98.2Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-64.8-26.5179-70177.5000113.2S148 I150 R191 N193 V195 V234 V235 S243 I246 V251S148-L238 PolarHBondContact OG-O 2.85Å; I150-L238 HydrophobicContact CG1-CB 3.93Å; I150-L238 HydrophobicContact CG2-CD1 4.25Å; R191-L238 PolarHBondContact NH1-O 3.16Å; R191-L238 VanDerWaalsContact NH1-O 3.14Å; R191-L238 PolarHBondContact NH2-O 3.29Å; N193-L238 HydrophobicContact CB-CD1 4.08Å; N193-L238 HydrophobicContact CB-CD2 4.28Å; V195-L238 HydrophobicContact CG2-CD1 3.58Å; V234-L238 HydrophobicContact CG1-CD1 4.08Å; V234-L238 HydrophobicContact CG1-CG 4.38Å; V234-L238 WeakPolarHBondContact O-CB 3.26Å; V234-L238 WeakPolarHBondContact O-CG 3.31Å; V234-L238 PolarHBondContact O-N 3.29Å; V235-L238 CarbonylContact O-C 3.54Å; V235-L238 PolarHBondContact O-N 3.2Å; L238-S243 VanDerWaalsContact CA-OG 3.26Å; L238-S243 WeakPolarHBondContact CA-OG 3.45Å; L238-S243 PolarHBondContact O-OG 3.36Å; L238-S243 VanDerWaalsContact O-OG 3.07Å; L238-I246 HydrophobicContact CD2-CG2 4.2Å; L238-V251 HydrophobicContact CD1-CG2 4.3Å
239A98.6Very high98.3Very high9 Ų951.5 Ų51.57%0.07427%0.27CS..Hα-helixtrans-76.2-26.7174.800000113.1L7 L29 V97 I150 V235 A236 F237L7-A239 HydrophobicContact CD1-CB 4.21Å; L7-A239 HydrophobicContact CD2-CB 4.28Å; L29-A239 HydrophobicContact CD2-CB 3.95Å; V97-A239 HydrophobicContact CG1-CB 3.71Å; V97-A239 HydrophobicContact CG2-CB 3.95Å; I150-A239 HydrophobicContact CD1-CB 4.33Å; V235-A239 VanDerWaalsContact O-CB 3.27Å; V235-A239 WeakPolarHBondContact O-CB 3.29Å; V235-A239 PolarHBondContact O-N 2.88Å; A236-A239 PolarHBondContact O-N 3.35Å; F237-A239 PolarHBondContact O-N 3.33Å
240S97.5Very high98.3Very high2 Ų248.3 Ų48.31%0.01426%0.259CS..SBendtrans-87.1170.5-175.176.20000114.1R191 A236 F237 D242 S243R191-S240 PolarHBondContact NH2-O 2.91Å; A236-S240 PolarHBondContact O-N 2.84Å; A236-S240 VanDerWaalsContact O-N 3.14Å; F237-S240 PolarHBondContact O-N 3.3Å; F237-S240 VanDerWaalsContact O-N 3.1Å; F237-S240 PolarHBondContact O-OG 2.78Å; S240-D242 PolarHBondContact O-N 3.24Å; S240-D242 WeakPolarHBondContact OG-CB 3.34Å; S240-D242 PolarHBondContact OG-N 3.37Å; S240-D242 PolarHBondContact OG-OD2 2.97Å; S240-S243 PolarHBondContact O-N 3.15Å; S240-S243 PolarHBondContact O-OG 3.49Å
241E95.4Very high98.3Very high166 Ų16647.3 Ų47.378%0.77626%0.256SS*.G310 helixtrans-67.3-17.5172.9-66.2-61.8155.700113.3S243 G244E241-S243 PolarHBondContact O-N 2.98Å; E241-G244 PolarHBondContact O-N 3.49Å
242D97Very high98.2Very high99 Ų9950.6 Ų50.653%0.52927%0.271SS..G310 helixtrans-59.1-22.9176.3-59-21.4000111.8R6 F237 S240R6-D242 WeakPolarHBondContact CD-OD2 3.4Å; R6-D242 IonicContact CZ-OD2 2.73Å; R6-D242 IonicContact NH1-OD2 3.33Å; R6-D242 PolarHBondContact NH1-OD2 3.36Å; F237-D242 HydrophobicContact CD2-CB 3.75Å; F237-D242 HydrophobicContact CE2-CB 3.67Å; S240-D242 PolarHBondContact O-N 3.24Å; S240-D242 WeakPolarHBondContact OG-CB 3.34Å; S240-D242 PolarHBondContact OG-N 3.37Å; S240-D242 PolarHBondContact OG-OD2 2.97Å
243S97.8Very high98.2Very high1 Ų151.6 Ų51.61%0.00728%0.277CS..G310 helixtrans-105.722.6176.964.20000113.2R191 F237 L238 S240 E241 Y245 I246R191-S243 WeakPolarHBondContact CD-O 3.22Å; R191-S243 VanDerWaalsContact CZ-OG 3.26Å; R191-S243 PolarHBondContact NH1-O 2.73Å; R191-S243 PolarHBondContact NH1-OG 3.48Å; R191-S243 PolarHBondContact NH2-OG 3.14Å; R191-S243 VanDerWaalsContact NH2-OG 3.1Å; F237-S243 WeakPolarHBondContact O-CB 3.46Å; F237-S243 PolarHBondContact O-OG 2.95Å; L238-S243 VanDerWaalsContact CA-OG 3.26Å; L238-S243 WeakPolarHBondContact CA-OG 3.45Å; L238-S243 PolarHBondContact O-OG 3.36Å; L238-S243 VanDerWaalsContact O-OG 3.07Å; S240-S243 PolarHBondContact O-N 3.15Å; S240-S243 PolarHBondContact O-OG 3.49Å; E241-S243 PolarHBondContact O-N 2.98Å; S243-Y245 PolarHBondContact O-N 2.87Å; S243-I246 PolarHBondContact O-N 3.14Å
244G97.4Very high98.1Very high40 Ų4048.8 Ų48.841%0.41226%0.263SS..THydrogen-bonded Turntrans-57-19.6-173.200000115.6E241E241-G244 PolarHBondContact O-N 3.49Å
245Y98.1Very high98Very high240 Ų24048.4 Ų48.494%0.94127%0.266SS*.THydrogen-bonded Turntrans-108.712.2176.3-148.9-113.7000114.2S243S243-Y245 PolarHBondContact O-N 2.87Å
246I98.8Very high97.8Very high57 Ų5749.1 Ų49.129%0.29227%0.272SS..  trans-108.8113.5179.6-55178.4000109.2R191 N193 F237 L238 S243 A249R191-I246 WeakPolarHBondContact CD-O 3.43Å; R191-I246 PolarHBondContact NH1-O 3.11Å; N193-I246 PolarHBondContact ND2-O 3.3Å; F237-I246 HydrophobicContact CE1-CD1 3.69Å; F237-I246 HydrophobicContact CZ-CD1 3.66Å; L238-I246 HydrophobicContact CD2-CG2 4.2Å; S243-I246 PolarHBondContact O-N 3.14Å; I246-A249 HydrophobicContact CG2-CB 3.68Å
247T98.8Very high97.4Very high64 Ų6449.2 Ų49.239%0.39327%0.273SS..  trans-146.4145.9172.4-164.30000109.9A182 R191 C192 N193 A249A182-T247 WeakPolarHBondContact CB-OG1 3.5Å; R191-T247 WeakPolarHBondContact CA-OG1 3.35Å; C192-T247 PolarHBondContact N-OG1 2.95Å; C192-T247 VanDerWaalsContact N-OG1 3.08Å; N193-T247 VanDerWaalsContact OD1-C 3.32Å; N193-T247 WeakPolarHBondContact OD1-CA 3.38Å; N193-T247 PolarHBondContact OD1-N 3.2Å; T247-A249 VanDerWaalsContact C-N 3.25Å; T247-A249 PolarHBondContact O-N 3.04Å
248G98.6Very high96.8Very high20 Ų2049.5 Ų49.521%0.20627%0.274CS..SBendtrans767.5-175.900000114.5A182 C192 N193A182-G248 VanDerWaalsContact CB-CA 3.45Å; A182-G248 VanDerWaalsContact CB-N 3.33Å; C192-G248 WeakPolarHBondContact O-CA 3.48Å; C192-G248 PolarHBondContact O-N 3.24Å; N193-G248 PolarHBondContact OD1-N 2.97Å
249A98.8Very high95.5Very high29 Ų2958.6 Ų58.624%0.2432%0.319CS..  trans-80.1154.6-177.100000112.6N193 S194 I246 T247 V251N193-A249 WeakPolarHBondContact OD1-CB 3.29Å; N193-A249 PolarHBondContact OD1-N 3.19Å; S194-A249 PolarHBondContact N-O 2.88Å; S194-A249 PolarHBondContact OG-O 2.9Å; S194-A249 VanDerWaalsContact OG-O 3.07Å; I246-A249 HydrophobicContact CG2-CB 3.68Å; T247-A249 VanDerWaalsContact C-N 3.25Å; T247-A249 PolarHBondContact O-N 3.04Å; A249-V251 HydrophobicContact CB-CG2 4.43Å
250S98.4Very high95.4Very high40 Ų4061.1 Ų61.128%0.2833%0.331SS..EExtended strand (participates in β ladder)trans-121100.8168.8-69.20000108.1I175 S194I175-S250 WeakPolarHBondContact CG2-OG 3.35Å; S194-S250 WeakPolarHBondContact O-CA 3.35Å; S194-S250 WeakPolarHBondContact OG-CA 3.38Å; S194-S250 WeakPolarHBondContact OG-CB 3.1Å; S194-S250 PolarHBondContact OG-OG 3.17Å
251V98.5Very high95.2Very high47 Ų4764.2 Ų64.229%0.28535%0.348SS..EExtended strand (participates in β ladder)trans-93.2118.3-175.5-173.90000109.3S194 V195 L196 V234 L238 A249S194-V251 PolarHBondContact O-N 3.06Å; V195-V251 CarbonylContact C-O 3.47Å; V195-V251 WeakPolarHBondContact CA-O 3.21Å; L196-V251 PolarHBondContact N-O 3.4Å; V234-V251 HydrophobicContact CG1-CB 4.17Å; V234-V251 HydrophobicContact CG1-CG1 3.78Å; L238-V251 HydrophobicContact CD1-CG2 4.3Å; A249-V251 HydrophobicContact CB-CG2 4.43Å
252E98.2Very high95.2Very high68 Ų6858.5 Ų58.532%0.31832%0.324SS..EExtended strand (participates in β ladder)trans-82.8129.8179.9-65.5176.5-164.500111I155 K158 L196I155-E252 HydrophobicContact CD1-CG 3.97Å; K158-E252 VanDerWaalsContact CD-OE1 3.27Å; K158-E252 WeakPolarHBondContact CD-OE1 3.25Å; K158-E252 WeakPolarHBondContact CE-OE1 3.18Å; K158-E252 IonicContact NZ-OE1 3.51Å; K158-E252 PolarHBondContact NZ-OE1 3.16Å; K158-E252 IonicContact NZ-OE2 3.14Å; L196-E252 HydrophobicContact CB-CG 4.19Å; L196-E252 HydrophobicContact CD2-CG 4.29Å
253V98.1Very high95.1Very high23 Ų2356.1 Ų56.114%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-124.168.9175-172.80000107.1V195 L196 P197 G198 D230 V231 V234V195-V253 HydrophobicContact CG1-CB 4.45Å; V195-V253 HydrophobicContact CG1-CG2 3.66Å; L196-V253 PolarHBondContact O-N 3.36Å; P197-V253 CarbonylContact C-O 3.58Å; P197-V253 WeakPolarHBondContact CA-O 3.25Å; G198-V253 PolarHBondContact N-O 3.38Å; D230-V253 HydrophobicContact CB-CG1 4.03Å; V231-V253 HydrophobicContact CG2-CB 4.49Å; V231-V253 HydrophobicContact CG2-CG1 4.16Å; V234-V253 HydrophobicContact CB-CG2 4.12Å; V234-V253 HydrophobicContact CG1-CG2 4.31Å; V234-V253 HydrophobicContact CG2-CG2 3.69Å
254S96.9Very high95Very high12 Ų1259.6 Ų59.68%0.08433%0.331CS..SBendtrans-118.92.5-166.768.20000114.4G256 L257S254-G256 PolarHBondContact O-N 2.82Å; S254-G256 VanDerWaalsContact O-N 3.16Å; S254-G256 PolarHBondContact OG-N 3.44Å; S254-L257 WeakPolarHBondContact O-CB 3.23Å; S254-L257 PolarHBondContact O-N 3.27Å; S254-L257 PolarHBondContact OG-N 2.98Å; S254-L257 PolarHBondContact OG-O 2.91Å
255G96.8Very high94.8Very high25 Ų2560.9 Ų60.926%0.25833%0.326SS..THydrogen-bonded Turntrans60.419.6-171.300000113.4I220 P221 L222I220-G255 WeakPolarHBondContact CG2-O 3.33Å; P221-G255 WeakPolarHBondContact CD-O 3.47Å; L222-G255 WeakPolarHBondContact CG-O 3.41Å; L222-G255 PolarHBondContact N-O 2.89Å
256G94.8Very high94.6Very high14 Ų1448.1 Ų48.114%0.14428%0.282CS..THydrogen-bonded Turntrans88.86.1-175.500000115P221 S254 F258 M259P221-G256 WeakPolarHBondContact CD-O 3.47Å; P221-G256 WeakPolarHBondContact CG-O 3.29Å; S254-G256 PolarHBondContact O-N 2.82Å; S254-G256 VanDerWaalsContact O-N 3.16Å; S254-G256 PolarHBondContact OG-N 3.44Å; G256-F258 PolarHBondContact O-N 3.03Å; G256-M259 VanDerWaalsContact CA-SD 3.53Å; G256-M259 WeakPolarHBondContact O-CE 3.31Å; G256-M259 WeakPolarHBondContact O-CG 3.34Å; G256-M259 PolarHBondContact O-N 3.06Å
257L90Very high94.2Very high2 Ų247.4 Ų47.41%0.0128%0.281CS..THydrogen-bonded Turntrans-66124.8177.6-170.970.1000110.5F199 M219 I220 S254F199-L257 HydrophobicContact CD2-CD2 3.41Å; F199-L257 VanDerWaalsContact CD2-CD2 3.41Å; F199-L257 HydrophobicContact CE2-CD2 3.68Å; M219-L257 HydrophobicContact CB-CD1 3.59Å; M219-L257 HydrophobicContact CE-CD1 4.01Å; M219-L257 WeakPolarHBondContact O-CD1 3.35Å; I220-L257 HydrophobicContact CG1-CB 4.21Å; I220-L257 HydrophobicContact CG1-CD1 3.97Å; I220-L257 HydrophobicContact CG1-CD2 4.31Å; I220-L257 HydrophobicContact CG1-CG 4.4Å; S254-L257 WeakPolarHBondContact O-CB 3.23Å; S254-L257 PolarHBondContact O-N 3.27Å; S254-L257 PolarHBondContact OG-N 2.98Å; S254-L257 PolarHBondContact OG-O 2.91Å
258F85.9Confident93.8Very high81 Ų8146 Ų4636%0.35527%0.272SS..THydrogen-bonded Turntrans65.431.1-178.1-48.3-65.7000116.2I155 I156 V159 M219 G256I155-F258 HydrophobicContact CG1-CB 4.35Å; I155-F258 HydrophobicContact CG1-CD2 3.98Å; I155-F258 HydrophobicContact CG2-CD2 4.2Å; I155-F258 HydrophobicContact CG2-CE2 4.49Å; I156-F258 HydrophobicContact CD1-CE2 4.45Å; V159-F258 HydrophobicContact CB-CG 4.5Å; V159-F258 HydrophobicContact CG1-CB 3.9Å; V159-F258 HydrophobicContact CG1-CG 4.35Å; V159-F258 HydrophobicContact CG2-CB 4.3Å; V159-F258 HydrophobicContact CG2-CD1 4.39Å; V159-F258 HydrophobicContact CG2-CD2 3.62Å; V159-F258 HydrophobicContact CG2-CE2 3.94Å; V159-F258 HydrophobicContact CG2-CG 3.87Å; V159-F258 HydrophobicContact CG2-CZ 4.46Å; M219-F258 HydrophobicContact CE-CE1 4.4Å; M219-F258 HydrophobicContact CE-CZ 4.2Å; G256-F258 PolarHBondContact O-N 3.03Å
259M71.2Confident93.4Very high191 Ų19148.4 Ų48.494%0.94128%0.278SS*.  trans-68.40164.4-68.7-174.5-52.700112.5P221 G256P221-M259 HydrophobicContact CG-CE 4.08Å; G256-M259 VanDerWaalsContact CA-SD 3.53Å; G256-M259 WeakPolarHBondContact O-CE 3.31Å; G256-M259 WeakPolarHBondContact O-CG 3.34Å; G256-M259 PolarHBondContact O-N 3.06Å

Retrieved 259 of 259 residues in 182 ms (Link to these results)

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