A0A061ILV4_CRIGR Loading...

(3R)-3-hydroxyacyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A061ILV4, Species CRIGR (Cricetulus griseus, Chinese hamster), 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
1M39.5Very low75.4Confident241 Ų24193.5 Ų93.5100%1.18750%0.503SS*.  0122.10-69.5-169-95.100107S3M1-S3 PolarHBondContact O-N 3.35Å
2A45.4Very low77.3Confident100 Ų10085.8 Ų85.883%0.82646%0.461SS*.  trans-61.4124.3176.400000108.3Q4A2-Q4 PolarHBondContact O-N 3.21Å
3S54.1Low78.9Confident100 Ų10079.2 Ų79.270%0.69943%0.425SS*.  trans-58.6126.2175.753.50000108.6M1 L5M1-S3 PolarHBondContact O-N 3.35Å; S3-L5 PolarHBondContact O-N 3.28Å; S3-L5 VanDerWaalsContact O-N 3.11Å
4Q71.9Confident80.3Confident173 Ų17373.5 Ų73.581%0.80840%0.395SS*.  trans-66.1112.9170-81.4-177.9-1000107.5A2 R6A2-Q4 PolarHBondContact O-N 3.21Å; Q4-R6 PolarHBondContact O-N 3.11Å
5L78.8Confident81.6Confident54 Ų5468.7 Ų68.728%0.28337%0.37SS..  trans-54.1122.2171.4-64.1-176.1000109.6S3 L7 R8 Q31 E32S3-L5 PolarHBondContact O-N 3.28Å; S3-L5 VanDerWaalsContact O-N 3.11Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.24Å; L5-R8 HydrophobicContact CB-CG 3.58Å; L5-R8 HydrophobicContact CD1-CG 4.3Å; L5-Q31 VanDerWaalsContact CD2-O 3.24Å; L5-Q31 WeakPolarHBondContact CD2-O 3.44Å; L5-E32 CarbonylContact C-O 3.57Å; L5-E32 WeakPolarHBondContact CB-O 3.39Å
6R86.8Confident82.6Confident81 Ų8165.3 Ų65.331%0.30636%0.355SS..THydrogen-bonded Turntrans-77.9-16.1-167.7-64.1177.7-70.1170.4-0.5114.1Q4 R28 E32 D242Q4-R6 PolarHBondContact O-N 3.11Å; R6-R28 VanDerWaalsContact NH2-NH2 3.19Å; R6-E32 IonicContact CZ-OE1 3.73Å; R6-E32 IonicContact CZ-OE2 3.54Å; R6-E32 PolarHBondContact N-O 3.04Å; R6-E32 PolarHBondContact N-OE2 2.91Å; R6-E32 IonicContact NE-OE1 3.86Å; R6-E32 PolarHBondContact NE-OE1 3.38Å; R6-E32 IonicContact NE-OE2 3.98Å; R6-E32 PolarHBondContact NE-OE2 3.43Å; R6-E32 VanDerWaalsContact NH2-CD 3.33Å; R6-E32 IonicContact NH2-OE1 2.68Å; R6-E32 PolarHBondContact NH2-OE1 2.66Å; R6-E32 IonicContact NH2-OE2 3.97Å; R6-D242 VanDerWaalsContact CD-OD2 3.22Å; R6-D242 WeakPolarHBondContact CD-OD2 3.45Å; R6-D242 IonicContact NH1-OD2 3Å; R6-D242 PolarHBondContact NH1-OD2 2.98Å; R6-D242 VanDerWaalsContact NH1-OD2 3.11Å
7L90.5Very high83.5Confident9 Ų961.5 Ų61.55%0.04734%0.335CS..THydrogen-bonded Turntrans-124.719.5-170.3-58.2-179.9000113.9L5 S9 A10 L29 E32 G33 A34 A239L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.24Å; L7-S9 PolarHBondContact O-N 2.74Å; L7-A10 HydrophobicContact CB-CB 4.01Å; L7-A10 HydrophobicContact CD2-CB 4.35Å; L7-A10 WeakPolarHBondContact O-CB 3.11Å; L7-A10 PolarHBondContact O-N 2.62Å; 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 3.58Å; L7-E32 WeakPolarHBondContact CA-O 3.42Å; L7-E32 HydrophobicContact CB-CB 4.05Å; L7-E32 WeakPolarHBondContact CB-O 3.39Å; L7-E32 HydrophobicContact CD1-CB 3.83Å; L7-E32 HydrophobicContact CG-CB 3.93Å; L7-E32 PolarHBondContact N-O 3.13Å; L7-G33 CarbonylContact O-C 3.59Å; L7-A34 HydrophobicContact CB-CB 3.93Å; L7-A34 HydrophobicContact CD1-CB 4.37Å; L7-A34 WeakPolarHBondContact O-CA 3.24Å; L7-A34 PolarHBondContact O-N 2.74Å; L7-A239 HydrophobicContact CD1-CB 4.21Å; L7-A239 HydrophobicContact CD2-CB 4.29Å
8R84.7Confident84.3Confident165 Ų16558.1 Ų58.162%0.62332%0.317SS*.THydrogen-bonded Turntrans-48.4-34.7-176.5-69.2-178-179-87.8-1.7115.1L5 G33L5-R8 HydrophobicContact CB-CG 3.58Å; L5-R8 HydrophobicContact CD1-CG 4.3Å; R8-G33 CarbonylContact C-O 3.48Å; R8-G33 WeakPolarHBondContact CA-O 3.39Å
9S86.9Confident84.9Confident98 Ų9858.2 Ų58.269%0.68532%0.322SS*.THydrogen-bonded Turntrans-100.4-2.3-177.9-61.90000113L7 R93L7-S9 PolarHBondContact O-N 2.74Å; S9-R93 PolarHBondContact O-NH1 3.23Å; S9-R93 PolarHBondContact O-NH2 3.44Å
10A93.7Very high85.5Confident8 Ų856.2 Ų56.27%0.06632%0.315CS..  trans-77.4146.5-17700000111.8L7 A34 A35 R93 S96 V97L7-A10 HydrophobicContact CB-CB 4.01Å; L7-A10 HydrophobicContact CD2-CB 4.35Å; L7-A10 WeakPolarHBondContact O-CB 3.11Å; L7-A10 PolarHBondContact O-N 2.62Å; A10-A34 HydrophobicContact CB-CB 4.14Å; A10-A35 PolarHBondContact O-N 3.03Å; A10-R93 PolarHBondContact O-NH2 3.45Å; A10-S96 WeakPolarHBondContact CA-OG 3.34Å; A10-V97 HydrophobicContact CB-CG2 4.19Å
11L96.5Very high86.2Confident0 Ų054.8 Ų54.80%031%0.307CS..EExtended strand (participates in β ladder)trans-110.7118.7159.2172.263.5000107.2A35 V87 F91 R93 P95 S96 V97L11-A35 WeakPolarHBondContact CA-O 3.45Å; L11-A35 HydrophobicContact CD1-CB 3.94Å; L11-V87 HydrophobicContact CD2-CG1 4.1Å; L11-F91 HydrophobicContact CD1-CB 4.24Å; L11-F91 HydrophobicContact CD1-CD1 3.82Å; L11-F91 HydrophobicContact CD1-CD2 3.72Å; L11-F91 HydrophobicContact CD1-CE1 4.08Å; L11-F91 HydrophobicContact CD1-CE2 3.99Å; L11-F91 HydrophobicContact CD1-CG 3.63Å; L11-F91 HydrophobicContact CD1-CZ 4.15Å; L11-F91 HydrophobicContact CD2-CB 3.48Å; L11-F91 VanDerWaalsContact CD2-CB 3.48Å; L11-F91 HydrophobicContact CD2-CD2 3.98Å; L11-F91 HydrophobicContact CD2-CG 3.76Å; L11-F91 HydrophobicContact CG-CG 4.37Å; L11-R93 HydrophobicContact CB-CG 4.49Å; L11-R93 HydrophobicContact CD2-CG 3.89Å; L11-R93 WeakPolarHBondContact CD2-O 3.41Å; L11-P95 HydrophobicContact CD2-CB 4.3Å; L11-P95 HydrophobicContact CG-CB 4.09Å; L11-P95 CarbonylContact O-C 3.57Å; L11-P95 VanDerWaalsContact O-CA 3.27Å; L11-P95 WeakPolarHBondContact O-CA 3.5Å; L11-S96 PolarHBondContact N-OG 3.42Å; L11-S96 PolarHBondContact O-N 3.26Å; L11-V97 PolarHBondContact O-N 3.09Å
12A98.2Very high89Confident0 Ų043.4 Ų43.40%025%0.251CS..EExtended strand (participates in β ladder)trans-102.5123.8179.200000110.9L29 A34 A35 V36 A37 V97A12-L29 HydrophobicContact CB-CD1 3.73Å; A12-A34 HydrophobicContact CB-CB 4.35Å; A12-A35 PolarHBondContact N-O 3.19Å; A12-V36 HydrophobicContact CB-CG2 4.45Å; A12-V36 CarbonylContact O-C 3.41Å; A12-V36 WeakPolarHBondContact O-CA 3.46Å; A12-A37 PolarHBondContact O-N 2.9Å; A12-V97 CarbonylContact C-O 3.55Å; 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 4.2Å
13L98.8Very high91.5Very high0 Ų042.6 Ų42.60%023%0.226CC..EExtended strand (participates in β ladder)trans-96.7123.5163.9171.659.1000108.7A37 C39 L83 L84 V87 P95 V97 V98 V99L13-A37 WeakPolarHBondContact CA-O 3.38Å; L13-A37 HydrophobicContact CD1-CB 3.97Å; L13-A37 WeakPolarHBondContact CD1-O 3.49Å; L13-C39 HydrophobicContact CD1-CB 4.07Å; L13-L83 HydrophobicContact CD1-CD1 4.4Å; L13-L83 HydrophobicContact CD1-CD2 4.31Å; L13-L83 HydrophobicContact CD1-CG 4.45Å; L13-L83 HydrophobicContact CD2-CD2 4.25Å; L13-L83 HydrophobicContact CD2-CG 4.38Å; L13-L84 HydrophobicContact CD2-CD1 3.95Å; L13-L84 HydrophobicContact CD2-CD2 3.69Å; L13-L84 HydrophobicContact CD2-CG 4.49Å; L13-V87 HydrophobicContact CD1-CG2 4.12Å; L13-P95 HydrophobicContact CB-CB 3.9Å; L13-P95 HydrophobicContact CB-CG 4.11Å; L13-V97 PolarHBondContact N-O 3.49Å; L13-V98 HydrophobicContact CB-CG1 4.5Å; L13-V98 HydrophobicContact CB-CG2 4.33Å; L13-V98 HydrophobicContact CD2-CG1 4.41Å; L13-V98 CarbonylContact O-C 3.56Å; L13-V98 WeakPolarHBondContact O-CA 3.4Å; L13-V99 PolarHBondContact O-N 3.3Å
14V98.9Very high93.6Very high0 Ų038.2 Ų38.20%020%0.196CC..EExtended strand (participates in β ladder)trans-119.9117.2176.5-1740000108.7A17 I25 L29 V36 A37 C39 V99V14-A17 HydrophobicContact CB-CB 4.17Å; V14-A17 HydrophobicContact CG1-CB 4.05Å; V14-A17 WeakPolarHBondContact O-CB 3.46Å; V14-I25 HydrophobicContact CG1-CG2 4.18Å; V14-I25 HydrophobicContact CG2-CG2 4.06Å; V14-L29 HydrophobicContact CG2-CD1 4.03Å; V14-V36 HydrophobicContact CG2-CG1 4.36Å; V14-A37 PolarHBondContact N-O 2.8Å; V14-C39 PolarHBondContact O-N 3.11Å; V14-V99 WeakPolarHBondContact CA-O 3.34Å; V14-V99 HydrophobicContact CG1-CB 4.31Å; V14-V99 HydrophobicContact CG2-CB 4.27Å; V14-V99 HydrophobicContact CG2-CG2 4.39Å
15T98.8Very high94.9Very high2 Ų230 Ų301%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-92.1149.4172.470.40000110.7C39 V74 L83 V99 S100 C101 A102 V132T15-C39 CarbonylContact C-O 3.58Å; T15-C39 WeakPolarHBondContact CA-O 3.33Å; T15-C39 HydrophobicContact CG2-CB 4.39Å; T15-V74 HydrophobicContact CG2-CG1 4.06Å; T15-L83 HydrophobicContact CG2-CD2 4.21Å; T15-V99 PolarHBondContact N-O 2.91Å; T15-S100 WeakPolarHBondContact OG1-CA 3.4Å; T15-C101 CarbonylContact O-C 3.51Å; T15-C101 VanDerWaalsContact O-CA 3.3Å; T15-C101 WeakPolarHBondContact O-CA 3.47Å; T15-C101 WeakPolarHBondContact O-CB 3.28Å; T15-C101 PolarHBondContact O-N 3.46Å; T15-C101 VanDerWaalsContact O-N 3.14Å; T15-C101 PolarHBondContact OG1-N 3.46Å; T15-A102 PolarHBondContact O-N 3.28Å; T15-A102 VanDerWaalsContact O-N 3.13Å; T15-A102 PolarHBondContact OG1-N 2.93Å; T15-V132 HydrophobicContact CG2-CG1 4.14Å; T15-V132 HydrophobicContact CG2-CG2 4.14Å
16G98.4Very high95.8Very high14 Ų1427.4 Ų27.414%0.14414%0.144CC..THydrogen-bonded Turntrans69.926.2-170.400000112.3G18 G22 C39 D40G16-G18 PolarHBondContact O-N 3.3Å; G16-G22 WeakPolarHBondContact O-CA 3.49Å; G16-C39 PolarHBondContact N-O 2.87Å; G16-D40 VanDerWaalsContact CA-OD2 3.26Å; G16-D40 WeakPolarHBondContact CA-OD2 3.42Å
17A98.3Very high96.2Very high0 Ų025.1 Ų25.10%014%0.139CC..THydrogen-bonded Turntrans-76.7-6.9-173.900000113.7V14 S19 R23 A38 C39 D40 T49V14-A17 HydrophobicContact CB-CB 4.17Å; V14-A17 HydrophobicContact CG1-CB 4.05Å; V14-A17 WeakPolarHBondContact O-CB 3.46Å; A17-S19 VanDerWaalsContact C-N 3.29Å; A17-S19 PolarHBondContact O-N 3.01Å; A17-R23 WeakPolarHBondContact O-CA 3.36Å; A17-A38 HydrophobicContact CB-CB 3.74Å; A17-C39 PolarHBondContact N-O 3.39Å; A17-D40 PolarHBondContact N-OD2 2.86Å; A17-T49 WeakPolarHBondContact O-CB 3.46Å; A17-T49 WeakPolarHBondContact O-CG2 3.35Å; A17-T49 PolarHBondContact O-OG1 3.11Å
18G97.1Very high96.4Very high1 Ų127.1 Ų27.11%0.0115%0.146CC..THydrogen-bonded Turntrans-69.8-21.6-173.200000113.9G16 R23 D40G16-G18 PolarHBondContact O-N 3.3Å; G18-R23 PolarHBondContact O-NE 3.11Å; G18-R23 PolarHBondContact O-NH2 2.98Å; G18-D40 VanDerWaalsContact CA-OD2 3.32Å; G18-D40 WeakPolarHBondContact CA-OD2 3.41Å; G18-D40 PolarHBondContact N-OD2 3.23Å
19S96.5Very high97Very high60 Ų6019.3 Ų19.342%0.4212%0.116SC..SBendtrans-157175.5-178.970.20000113.2A17 I21 G22 R23A17-S19 VanDerWaalsContact C-N 3.29Å; A17-S19 PolarHBondContact O-N 3.01Å; S19-I21 PolarHBondContact O-N 3.32Å; S19-G22 PolarHBondContact O-N 3.3Å; S19-R23 PolarHBondContact O-N 3.21Å; S19-R23 VanDerWaalsContact O-N 3.13Å
20G96.9Very high97.3Very high18 Ų1815.3 Ų15.319%0.1869%0.089CC..Hα-helixtrans49.4-131.2169.200000114.1G22 R23 A24G20-G22 PolarHBondContact O-N 3.39Å; G20-R23 PolarHBondContact O-N 3.03Å; G20-A24 PolarHBondContact O-N 3.13Å
21I98.5Very high97.1Very high27 Ų2720.8 Ų20.814%0.13811%0.113CC..Hα-helixtrans-58.5-45-177.6-66.7168.7000111.8S19 R23 A24 I25 P197 I200 T202 V231S19-I21 PolarHBondContact O-N 3.32Å; I21-R23 VanDerWaalsContact C-N 3.33Å; I21-R23 PolarHBondContact O-N 3.1Å; I21-A24 PolarHBondContact O-N 2.76Å; I21-I25 HydrophobicContact CG2-CD1 3.49Å; I21-I25 VanDerWaalsContact CG2-CD1 3.49Å; I21-I25 HydrophobicContact CG2-CG1 4.17Å; I21-I25 WeakPolarHBondContact O-CB 3.38Å; I21-I25 VanDerWaalsContact O-CG1 3.24Å; I21-I25 WeakPolarHBondContact O-CG1 3.18Å; I21-I25 PolarHBondContact O-N 2.57Å; I21-P197 HydrophobicContact CD1-CB 4.27Å; I21-P197 HydrophobicContact CD1-CG 4.11Å; I21-I200 HydrophobicContact CD1-CB 4.24Å; I21-I200 HydrophobicContact CD1-CG1 4.12Å; I21-I200 HydrophobicContact CD1-CG2 4.31Å; I21-I200 HydrophobicContact CG1-CG2 4.12Å; I21-T202 HydrophobicContact CG1-CG2 4.05Å; I21-V231 HydrophobicContact CD1-CG2 4.29Å; I21-V231 HydrophobicContact CG1-CG2 4.45Å; I21-V231 HydrophobicContact CG2-CB 4.06Å; I21-V231 HydrophobicContact CG2-CG1 3.66Å
22G98.6Very high96.8Very high1 Ų121.8 Ų21.81%0.0112%0.118CC..Hα-helixtrans-64.4-36.6-178.400000112.9G16 S19 G20 S26G16-G22 WeakPolarHBondContact O-CA 3.49Å; S19-G22 PolarHBondContact O-N 3.3Å; G20-G22 PolarHBondContact O-N 3.39Å; G22-S26 WeakPolarHBondContact O-CB 3.47Å; G22-S26 PolarHBondContact O-N 2.8Å; G22-S26 PolarHBondContact O-OG 3.31Å
23R98.1Very high96.4Very high84 Ų8422.9 Ų22.932%0.31713%0.13SC..Hα-helixtrans-64.8-48.5172179.4-178.8-67.3178.80.4111.4A17 G18 S19 G20 I21 I25 S26 V27 T49 L52A17-R23 WeakPolarHBondContact O-CA 3.36Å; G18-R23 PolarHBondContact O-NE 3.11Å; G18-R23 PolarHBondContact O-NH2 2.98Å; S19-R23 PolarHBondContact O-N 3.21Å; S19-R23 VanDerWaalsContact O-N 3.13Å; G20-R23 PolarHBondContact O-N 3.03Å; I21-R23 VanDerWaalsContact C-N 3.33Å; I21-R23 PolarHBondContact O-N 3.1Å; R23-I25 VanDerWaalsContact C-N 3.33Å; R23-I25 PolarHBondContact O-N 2.99Å; R23-S26 WeakPolarHBondContact O-CB 3.46Å; R23-S26 PolarHBondContact O-N 3.34Å; R23-S26 VanDerWaalsContact O-N 3.12Å; R23-V27 WeakPolarHBondContact O-CG2 3.39Å; R23-V27 PolarHBondContact O-N 3.45Å; R23-T49 HydrophobicContact CB-CG2 4.39Å; R23-T49 HydrophobicContact CG-CG2 4.01Å; R23-T49 WeakPolarHBondContact CG-OG1 3.42Å; R23-T49 PolarHBondContact NE-OG1 3.02Å; R23-T49 VanDerWaalsContact NE-OG1 3.13Å; R23-L52 HydrophobicContact CG-CD1 4.38Å
24A98.3Very high96.1Very high7 Ų723 Ų236%0.05813%0.131CC..Hα-helixtrans-61.2-41.7179.100000112G20 I21 S26 V27 R28 P228 A232G20-A24 PolarHBondContact O-N 3.13Å; I21-A24 PolarHBondContact O-N 2.76Å; A24-S26 VanDerWaalsContact C-N 3.35Å; A24-S26 PolarHBondContact O-N 3.17Å; A24-V27 PolarHBondContact O-N 2.82Å; A24-R28 WeakPolarHBondContact O-CB 3.49Å; A24-R28 PolarHBondContact O-N 3.48Å; A24-P228 HydrophobicContact CB-CB 3.41Å; A24-P228 VanDerWaalsContact CB-CB 3.41Å; A24-A232 HydrophobicContact CB-CB 4.23Å
25I98.8Very high95.9Very high0 Ų023.4 Ų23.40%013%0.134CC..Hα-helixtrans-57.7-47.8172-70.9165000110.6V14 I21 R23 V27 R28 L29 V99 I152 A232 V235V14-I25 HydrophobicContact CG1-CG2 4.18Å; V14-I25 HydrophobicContact CG2-CG2 4.06Å; I21-I25 HydrophobicContact CG2-CD1 3.49Å; I21-I25 VanDerWaalsContact CG2-CD1 3.49Å; I21-I25 HydrophobicContact CG2-CG1 4.17Å; I21-I25 WeakPolarHBondContact O-CB 3.38Å; I21-I25 VanDerWaalsContact O-CG1 3.24Å; I21-I25 WeakPolarHBondContact O-CG1 3.18Å; I21-I25 PolarHBondContact O-N 2.57Å; R23-I25 VanDerWaalsContact C-N 3.33Å; R23-I25 PolarHBondContact O-N 2.99Å; I25-V27 VanDerWaalsContact C-N 3.34Å; I25-V27 PolarHBondContact O-N 2.87Å; I25-R28 PolarHBondContact O-N 3Å; I25-L29 HydrophobicContact CG2-CD1 3.69Å; I25-L29 HydrophobicContact CG2-CG 4.12Å; I25-L29 WeakPolarHBondContact O-CB 3.38Å; I25-L29 VanDerWaalsContact O-CG 3.24Å; I25-L29 WeakPolarHBondContact O-CG 3.15Å; I25-L29 PolarHBondContact O-N 2.86Å; I25-V99 HydrophobicContact CD1-CG1 4.07Å; I25-V99 HydrophobicContact CG2-CB 4.47Å; I25-V99 HydrophobicContact CG2-CG1 4.27Å; I25-V99 HydrophobicContact CG2-CG2 4.2Å; I25-I152 HydrophobicContact CD1-CD1 4.06Å; I25-I152 HydrophobicContact CD1-CG1 4.26Å; I25-A232 HydrophobicContact CG1-CB 4.06Å; I25-V235 HydrophobicContact CD1-CB 4.44Å; I25-V235 HydrophobicContact CD1-CG1 4.44Å; I25-V235 HydrophobicContact CD1-CG2 3.87Å; I25-V235 HydrophobicContact CG1-CB 4.22Å; I25-V235 HydrophobicContact CG1-CG1 4.32Å; I25-V235 HydrophobicContact CG1-CG2 4.13Å; I25-V235 HydrophobicContact CG2-CG1 3.78Å
26S98Very high95.8Very high0 Ų023.3 Ų23.30%013%0.133CC..Hα-helixtrans-58.8-46.5179.9-60.70000111.5G22 R23 A24 A30 L53G22-S26 WeakPolarHBondContact O-CB 3.47Å; G22-S26 PolarHBondContact O-N 2.8Å; G22-S26 PolarHBondContact O-OG 3.31Å; R23-S26 WeakPolarHBondContact O-CB 3.46Å; R23-S26 PolarHBondContact O-N 3.34Å; R23-S26 VanDerWaalsContact O-N 3.12Å; A24-S26 VanDerWaalsContact C-N 3.35Å; A24-S26 PolarHBondContact O-N 3.17Å; S26-A30 WeakPolarHBondContact O-CB 3.33Å; S26-A30 PolarHBondContact O-N 2.71Å; S26-A30 VanDerWaalsContact O-N 3.09Å; S26-L53 VanDerWaalsContact C-CD2 3.45Å; S26-L53 WeakPolarHBondContact O-CD2 3.38Å
27V95.2Very high95.7Very high33 Ų3322.7 Ų22.720%0.213%0.127CC..Hα-helixtrans-60.5-49.6176.3172.50000110.8R23 A24 I25 L29 A30 Q31 L52 L53R23-V27 WeakPolarHBondContact O-CG2 3.39Å; R23-V27 PolarHBondContact O-N 3.45Å; A24-V27 PolarHBondContact O-N 2.82Å; I25-V27 VanDerWaalsContact C-N 3.34Å; I25-V27 PolarHBondContact O-N 2.87Å; V27-L29 PolarHBondContact O-N 3.28Å; V27-A30 WeakPolarHBondContact O-CB 3.15Å; V27-A30 PolarHBondContact O-N 3.26Å; V27-Q31 HydrophobicContact CG1-CG 4.43Å; V27-Q31 WeakPolarHBondContact O-CG 3.48Å; V27-Q31 PolarHBondContact O-N 2.96Å; V27-L52 HydrophobicContact CG2-CB 4.43Å; V27-L53 VanDerWaalsContact CA-CD2 3.47Å; V27-L53 HydrophobicContact CB-CD2 4.22Å; V27-L53 HydrophobicContact CG2-CD2 3.74Å
28R96.1Very high95.7Very high52 Ų5222.7 Ų22.720%0.19613%0.127CC..Hα-helixtrans-64.3-42.5-177.7-179.760.7-164.3-113.23.8112.5R6 A24 I25 A30 Q31 E32 A232 D233 A236R6-R28 VanDerWaalsContact NH2-NH2 3.19Å; A24-R28 WeakPolarHBondContact O-CB 3.49Å; A24-R28 PolarHBondContact O-N 3.48Å; I25-R28 PolarHBondContact O-N 3Å; R28-A30 VanDerWaalsContact C-N 3.32Å; R28-A30 PolarHBondContact O-N 2.9Å; R28-Q31 WeakPolarHBondContact O-CB 3.44Å; R28-Q31 PolarHBondContact O-N 3.09Å; R28-E32 IonicContact CZ-OE1 3.11Å; R28-E32 IonicContact NE-OE1 3.56Å; R28-E32 PolarHBondContact NE-OE1 3.01Å; R28-E32 IonicContact NH2-OE1 2.87Å; R28-E32 PolarHBondContact NH2-OE1 3.31Å; R28-E32 WeakPolarHBondContact O-CG 3.47Å; R28-E32 PolarHBondContact O-N 3.32Å; R28-E32 VanDerWaalsContact O-N 3.11Å; R28-A232 HydrophobicContact CB-CB 3.76Å; R28-A232 HydrophobicContact CG-CB 4.19Å; R28-D233 IonicContact CZ-OD1 3.8Å; R28-D233 IonicContact CZ-OD2 3.72Å; R28-D233 IonicContact NE-OD1 2.99Å; R28-D233 IonicContact NH1-OD1 2.57Å; R28-D233 PolarHBondContact NH1-OD1 3.47Å; R28-D233 IonicContact NH1-OD2 2.82Å; R28-D233 PolarHBondContact NH1-OD2 3.35Å; R28-A236 HydrophobicContact CG-CB 3.84Å
29L95.8Very high95.8Very high0 Ų022.6 Ų22.60%013%0.126CC..Hα-helixtrans-64.6-37.8177.2-65.3177.4000111.5L7 A12 V14 I25 V27 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 3.73Å; V14-L29 HydrophobicContact CG2-CD1 4.03Å; I25-L29 HydrophobicContact CG2-CD1 3.69Å; I25-L29 HydrophobicContact CG2-CG 4.12Å; I25-L29 WeakPolarHBondContact O-CB 3.38Å; I25-L29 VanDerWaalsContact O-CG 3.24Å; I25-L29 WeakPolarHBondContact O-CG 3.15Å; I25-L29 PolarHBondContact O-N 2.86Å; V27-L29 PolarHBondContact O-N 3.28Å; L29-E32 PolarHBondContact O-N 3.28Å; L29-G33 PolarHBondContact O-N 3.37Å; L29-A34 HydrophobicContact CB-CB 4.24Å; L29-A34 VanDerWaalsContact O-CB 3.23Å; L29-A34 WeakPolarHBondContact O-CB 3.23Å; L29-A34 PolarHBondContact O-N 2.98Å; L29-V36 HydrophobicContact CB-CG2 4.37Å; L29-V97 HydrophobicContact CD1-CG1 4.41Å; L29-V99 HydrophobicContact CD1-CG2 4.23Å; L29-A236 HydrophobicContact CD2-CB 4.25Å; L29-A239 HydrophobicContact CD2-CB 3.92Å
30A93.4Very high95.9Very high14 Ų1421.1 Ų21.112%0.11611%0.113CC..Hα-helixtrans-64.8-42.4173.700000112.3S26 V27 R28 E32 G33 V36 L53 H67S26-A30 WeakPolarHBondContact O-CB 3.33Å; S26-A30 PolarHBondContact O-N 2.71Å; S26-A30 VanDerWaalsContact O-N 3.09Å; V27-A30 WeakPolarHBondContact O-CB 3.15Å; V27-A30 PolarHBondContact O-N 3.26Å; R28-A30 VanDerWaalsContact C-N 3.32Å; R28-A30 PolarHBondContact O-N 2.9Å; A30-E32 PolarHBondContact O-N 2.72Å; A30-G33 WeakPolarHBondContact O-CA 3.35Å; A30-G33 PolarHBondContact O-N 3.42Å; A30-V36 HydrophobicContact CB-CG2 4.06Å; A30-L53 HydrophobicContact CB-CB 3.94Å; A30-L53 HydrophobicContact CB-CD2 4.19Å; A30-L53 HydrophobicContact CB-CG 4.42Å; A30-H67 VanDerWaalsContact CB-CE1 3.4Å; A30-H67 WeakPolarHBondContact CB-CE1 3.3Å
31Q90.3Very high95.9Very high123 Ų12325.5 Ų25.558%0.57513%0.132SC*.Hα-helixtrans-60.4-29.6174.8-72.9171.5-9.600112.7L5 V27 R28 G33L5-Q31 VanDerWaalsContact CD2-O 3.24Å; L5-Q31 WeakPolarHBondContact CD2-O 3.44Å; V27-Q31 HydrophobicContact CG1-CG 4.43Å; V27-Q31 WeakPolarHBondContact O-CG 3.48Å; V27-Q31 PolarHBondContact O-N 2.96Å; R28-Q31 WeakPolarHBondContact O-CB 3.44Å; R28-Q31 PolarHBondContact O-N 3.09Å; Q31-G33 PolarHBondContact O-N 3.07Å
32E90.6Very high95.9Very high22 Ų2228.4 Ų28.410%0.10315%0.148CC..THydrogen-bonded Turntrans-83.44.7173.4-65.5-74.7174.600113.3L5 R6 L7 R28 L29 A30L5-E32 CarbonylContact C-O 3.57Å; L5-E32 WeakPolarHBondContact CB-O 3.39Å; R6-E32 IonicContact CZ-OE1 3.73Å; R6-E32 IonicContact CZ-OE2 3.54Å; R6-E32 PolarHBondContact N-O 3.04Å; R6-E32 PolarHBondContact N-OE2 2.91Å; R6-E32 IonicContact NE-OE1 3.86Å; R6-E32 PolarHBondContact NE-OE1 3.38Å; R6-E32 IonicContact NE-OE2 3.98Å; R6-E32 PolarHBondContact NE-OE2 3.43Å; R6-E32 VanDerWaalsContact NH2-CD 3.33Å; R6-E32 IonicContact NH2-OE1 2.68Å; R6-E32 PolarHBondContact NH2-OE1 2.66Å; R6-E32 IonicContact NH2-OE2 3.97Å; L7-E32 CarbonylContact C-O 3.58Å; L7-E32 WeakPolarHBondContact CA-O 3.42Å; L7-E32 HydrophobicContact CB-CB 4.05Å; L7-E32 WeakPolarHBondContact CB-O 3.39Å; L7-E32 HydrophobicContact CD1-CB 3.83Å; L7-E32 HydrophobicContact CG-CB 3.93Å; L7-E32 PolarHBondContact N-O 3.13Å; R28-E32 IonicContact CZ-OE1 3.11Å; R28-E32 IonicContact NE-OE1 3.56Å; R28-E32 PolarHBondContact NE-OE1 3.01Å; R28-E32 IonicContact NH2-OE1 2.87Å; R28-E32 PolarHBondContact NH2-OE1 3.31Å; R28-E32 WeakPolarHBondContact O-CG 3.47Å; R28-E32 PolarHBondContact O-N 3.32Å; R28-E32 VanDerWaalsContact O-N 3.11Å; L29-E32 PolarHBondContact O-N 3.28Å; A30-E32 PolarHBondContact O-N 2.72Å
33G89Confident95.8Very high23 Ų2329.3 Ų29.324%0.23716%0.157CC..THydrogen-bonded Turntrans92.86.5173.900000115.8L7 R8 L29 A30 Q31L7-G33 CarbonylContact O-C 3.59Å; R8-G33 CarbonylContact C-O 3.48Å; R8-G33 WeakPolarHBondContact CA-O 3.39Å; L29-G33 PolarHBondContact O-N 3.37Å; A30-G33 WeakPolarHBondContact O-CA 3.35Å; A30-G33 PolarHBondContact O-N 3.42Å; Q31-G33 PolarHBondContact O-N 3.07Å
34A93.2Very high95.7Very high3 Ų328.2 Ų28.23%0.02517%0.166CC..  trans-72142.7177.200000111.6L7 A10 A12 L29 H67L7-A34 HydrophobicContact CB-CB 3.93Å; L7-A34 HydrophobicContact CD1-CB 4.37Å; L7-A34 WeakPolarHBondContact O-CA 3.24Å; L7-A34 PolarHBondContact O-N 2.74Å; A10-A34 HydrophobicContact CB-CB 4.14Å; A12-A34 HydrophobicContact CB-CB 4.35Å; L29-A34 HydrophobicContact CB-CB 4.24Å; L29-A34 VanDerWaalsContact O-CB 3.23Å; L29-A34 WeakPolarHBondContact O-CB 3.23Å; L29-A34 PolarHBondContact O-N 2.98Å; A34-H67 PolarHBondContact O-CE1 3.45Å; A34-H67 VanDerWaalsContact O-CE1 3.23Å
35A93.9Very high95.7Very high8 Ų828.7 Ų28.77%0.06617%0.17CC..EExtended strand (participates in β ladder)trans-70.6139.4156.800000108.4A10 L11 A12 F91A10-A35 PolarHBondContact O-N 3.03Å; L11-A35 WeakPolarHBondContact CA-O 3.45Å; L11-A35 HydrophobicContact CD1-CB 3.94Å; A12-A35 PolarHBondContact N-O 3.19Å; A35-F91 HydrophobicContact CB-CE1 4.35Å
36V95.9Very high95.6Very high0 Ų028.7 Ų28.70%017%0.17CC..EExtended strand (participates in β ladder)trans-123.9122-174.2-177.80000110.7A12 V14 L29 A30 A38 L53 H67 A68A12-V36 HydrophobicContact CB-CG2 4.45Å; A12-V36 CarbonylContact O-C 3.41Å; A12-V36 WeakPolarHBondContact O-CA 3.46Å; V14-V36 HydrophobicContact CG2-CG1 4.36Å; L29-V36 HydrophobicContact CB-CG2 4.37Å; A30-V36 HydrophobicContact CB-CG2 4.06Å; V36-A38 HydrophobicContact CG1-CB 4.5Å; V36-L53 HydrophobicContact CB-CD1 3.81Å; V36-L53 HydrophobicContact CG1-CD1 4.08Å; V36-L53 HydrophobicContact CG2-CD1 4.3Å; V36-H67 HydrophobicContact CB-CB 4.45Å; V36-H67 WeakPolarHBondContact CB-ND1 3.4Å; V36-H67 PolarHBondContact N-ND1 3.06Å; V36-H67 VanDerWaalsContact N-ND1 3.11Å; V36-H67 CarbonylContact O-C 3.36Å; V36-H67 WeakPolarHBondContact O-CA 3.38Å; V36-H67 WeakPolarHBondContact O-CB 3.32Å; V36-A68 PolarHBondContact O-N 2.75Å
37A97.6Very high95.4Very high0 Ų032.9 Ų32.90%019%0.189CC..EExtended strand (participates in β ladder)trans-91.599.5162.200000108.4A12 L13 V14 A68 F70 V87 F91A12-A37 PolarHBondContact O-N 2.9Å; L13-A37 WeakPolarHBondContact CA-O 3.38Å; L13-A37 HydrophobicContact CD1-CB 3.97Å; L13-A37 WeakPolarHBondContact CD1-O 3.49Å; V14-A37 PolarHBondContact N-O 2.8Å; A37-A68 CarbonylContact C-O 3.35Å; A37-A68 WeakPolarHBondContact CA-O 3.44Å; A37-F70 HydrophobicContact CB-CD2 3.92Å; A37-F70 HydrophobicContact CB-CE2 3.57Å; A37-V87 HydrophobicContact CB-CG1 3.95Å; A37-V87 HydrophobicContact CB-CG2 3.87Å; A37-F91 HydrophobicContact CB-CE2 3.92Å
38A98.1Very high95.3Very high0 Ų034.6 Ų34.60%020%0.198CC..EExtended strand (participates in β ladder)trans-86.3119.4177.500000109.2A17 V36 T49 V50 A68 A69 F70A17-A38 HydrophobicContact CB-CB 3.74Å; V36-A38 HydrophobicContact CG1-CB 4.5Å; A38-T49 HydrophobicContact CB-CG2 4.3Å; A38-V50 HydrophobicContact CB-CG2 3.8Å; A38-A68 PolarHBondContact N-O 3.33Å; A38-A69 CarbonylContact O-C 3.59Å; A38-A69 VanDerWaalsContact O-CA 3.28Å; A38-A69 WeakPolarHBondContact O-CA 3.24Å; A38-F70 PolarHBondContact O-N 3.37Å
39C98.6Very high95.3Very high0 Ų032.1 Ų32.10%019%0.188CC..EExtended strand (participates in β ladder)trans-117.5135.2179.4-178.60000110.8L13 V14 T15 G16 A17 F70 L83L13-C39 HydrophobicContact CD1-CB 4.07Å; V14-C39 PolarHBondContact O-N 3.11Å; T15-C39 CarbonylContact C-O 3.58Å; T15-C39 WeakPolarHBondContact CA-O 3.33Å; T15-C39 HydrophobicContact CG2-CB 4.39Å; G16-C39 PolarHBondContact N-O 2.87Å; A17-C39 PolarHBondContact N-O 3.39Å; C39-F70 WeakPolarHBondContact CA-O 3.43Å; C39-F70 HydrophobicContact CB-CB 4.24Å; C39-L83 HydrophobicContact CB-CD1 4.04Å; C39-L83 HydrophobicContact CB-CD2 4.12Å; C39-L83 VanDerWaalsContact SG-CD2 3.53Å
40D98.6Very high95.2Very high29 Ų2933.2 Ų33.216%0.15520%0.195CC..EExtended strand (participates in β ladder)trans-144.7166.5170.4-153.5-76.6000110.7G16 A17 G18 D42 A46 F70 Q71 A72G16-D40 VanDerWaalsContact CA-OD2 3.26Å; G16-D40 WeakPolarHBondContact CA-OD2 3.42Å; A17-D40 PolarHBondContact N-OD2 2.86Å; G18-D40 VanDerWaalsContact CA-OD2 3.32Å; G18-D40 WeakPolarHBondContact CA-OD2 3.41Å; G18-D40 PolarHBondContact N-OD2 3.23Å; D40-D42 VanDerWaalsContact C-N 3.28Å; D40-D42 PolarHBondContact OD1-N 3.16Å; D40-D42 VanDerWaalsContact OD1-N 3.07Å; D40-A46 HydrophobicContact CB-CB 3.94Å; D40-F70 PolarHBondContact N-O 2.9Å; D40-Q71 WeakPolarHBondContact O-CA 3.24Å; D40-A72 PolarHBondContact O-N 3.49Å; D40-A72 VanDerWaalsContact O-N 3.09Å
41L97.9Very high95Very high110 Ų11041.1 Ų41.158%0.57622%0.222SC*.SBendtrans-68.3-36.1169.2-177.367.3000110G43 Q71 D73L41-G43 PolarHBondContact O-N 3.43Å; L41-Q71 WeakPolarHBondContact O-CG 3.44Å; L41-Q71 PolarHBondContact O-NE2 3.02Å; L41-D73 HydrophobicContact CD1-CB 3.69Å
42D97.9Very high94.9Very high87 Ų8740 Ų4047%0.46522%0.219SC..SBendtrans-88.399.3170.5-175.7-14.8000110.2D40 A44 A45 A46D40-D42 VanDerWaalsContact C-N 3.28Å; D40-D42 PolarHBondContact OD1-N 3.16Å; D40-D42 VanDerWaalsContact OD1-N 3.07Å; D42-A44 PolarHBondContact O-N 2.86Å; D42-A44 WeakPolarHBondContact OD1-CB 3.39Å; D42-A44 PolarHBondContact OD1-N 3.41Å; D42-A45 HydrophobicContact CB-CB 3.87Å; D42-A45 PolarHBondContact O-N 3.47Å; D42-A45 PolarHBondContact OD1-N 3.37Å; D42-A45 VanDerWaalsContact OD1-N 3.17Å; D42-A46 PolarHBondContact O-N 2.9Å; D42-A46 VanDerWaalsContact O-N 3.08Å
43G96.2Very high94.8Very high20 Ų2039.7 Ų39.721%0.20622%0.218CC..Hα-helixtrans-60.6-29.5179.800000113.7L41 Q47L41-G43 PolarHBondContact O-N 3.43Å; G43-Q47 WeakPolarHBondContact O-CB 3.48Å; G43-Q47 PolarHBondContact O-N 3.27Å
44A96.3Very high93.6Very high62 Ų6240.1 Ų40.151%0.51222%0.222SC..Hα-helixtrans-71.3-42.417700000110.7D42 A46 Q47 D48D42-A44 PolarHBondContact O-N 2.86Å; D42-A44 WeakPolarHBondContact OD1-CB 3.39Å; D42-A44 PolarHBondContact OD1-N 3.41Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 2.95Å; A44-Q47 WeakPolarHBondContact O-CB 3.4Å; A44-Q47 PolarHBondContact O-N 3.45Å; A44-Q47 VanDerWaalsContact O-N 3.16Å; A44-D48 PolarHBondContact O-N 2.95Å
45A97.3Very high91.5Very high17 Ų1742.1 Ų42.114%0.1424%0.244CC..Hα-helixtrans-62.2-39.8175.100000112.2D42 D48 T49D42-A45 HydrophobicContact CB-CB 3.87Å; D42-A45 PolarHBondContact O-N 3.47Å; D42-A45 PolarHBondContact OD1-N 3.37Å; D42-A45 VanDerWaalsContact OD1-N 3.17Å; A45-D48 PolarHBondContact O-N 3.25Å; A45-T49 PolarHBondContact O-N 2.88Å; A45-T49 PolarHBondContact O-OG1 2.89Å
46A96.8Very high89Confident0 Ų048.4 Ų48.40%028%0.284CS..Hα-helixtrans-62.8-41.9173.300000112.1D40 D42 A44 D48 T49 V50 A69D40-A46 HydrophobicContact CB-CB 3.94Å; D42-A46 PolarHBondContact O-N 2.9Å; D42-A46 VanDerWaalsContact O-N 3.08Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 2.95Å; A46-D48 VanDerWaalsContact C-N 3.34Å; A46-D48 PolarHBondContact O-N 2.89Å; A46-T49 WeakPolarHBondContact O-CB 3.28Å; A46-T49 PolarHBondContact O-N 3.5Å; A46-V50 PolarHBondContact O-N 3.33Å; A46-A69 HydrophobicContact CB-CB 4.08Å
47Q94.4Very high86.6Confident87 Ų8749.9 Ų49.941%0.40730%0.299SS..Hα-helixtrans-62-42175.9-172.165.932.600111.7G43 A44 V50 R51 A69G43-Q47 WeakPolarHBondContact O-CB 3.48Å; G43-Q47 PolarHBondContact O-N 3.27Å; A44-Q47 WeakPolarHBondContact O-CB 3.4Å; A44-Q47 PolarHBondContact O-N 3.45Å; A44-Q47 VanDerWaalsContact O-N 3.16Å; Q47-V50 WeakPolarHBondContact O-CB 3.41Å; Q47-V50 PolarHBondContact O-N 3.25Å; Q47-R51 WeakPolarHBondContact O-CG 3.39Å; Q47-R51 PolarHBondContact O-N 3.04Å; Q47-R51 VanDerWaalsContact O-N 3.1Å; Q47-A69 HydrophobicContact CB-CB 4.23Å; Q47-A69 VanDerWaalsContact OE1-CB 3.31Å
48D94.1Very high84.2Confident69 Ų6954.1 Ų54.137%0.36933%0.329SS..Hα-helixtrans-65.6-39.6177.3-70.8-13000111.7A44 A45 A46 V50 R51 L52A44-D48 PolarHBondContact O-N 2.95Å; A45-D48 PolarHBondContact O-N 3.25Å; A46-D48 VanDerWaalsContact C-N 3.34Å; A46-D48 PolarHBondContact O-N 2.89Å; D48-V50 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.45Å; D48-R51 WeakPolarHBondContact O-CB 3.29Å; D48-R51 PolarHBondContact O-N 3.04Å; D48-R51 IonicContact OD1-CZ 3.43Å; D48-R51 IonicContact OD1-NE 3.13Å; D48-R51 PolarHBondContact OD1-NE 3.47Å; D48-R51 VanDerWaalsContact OD1-NE 3.13Å; D48-R51 IonicContact OD1-NH2 2.98Å; D48-R51 PolarHBondContact OD1-NH2 3.48Å; D48-L52 WeakPolarHBondContact O-CG 3.36Å; D48-L52 PolarHBondContact O-N 3.33Å
49T94.9Very high81.4Confident0 Ų062.1 Ų62.10%037%0.366CS..Hα-helixtrans-57-45.8170.2-69.70000111.4A17 R23 A38 A45 A46 R51 L52 L53A17-T49 WeakPolarHBondContact O-CB 3.46Å; A17-T49 WeakPolarHBondContact O-CG2 3.35Å; A17-T49 PolarHBondContact O-OG1 3.11Å; R23-T49 HydrophobicContact CB-CG2 4.39Å; R23-T49 HydrophobicContact CG-CG2 4.01Å; R23-T49 WeakPolarHBondContact CG-OG1 3.42Å; R23-T49 PolarHBondContact NE-OG1 3.02Å; R23-T49 VanDerWaalsContact NE-OG1 3.13Å; A38-T49 HydrophobicContact CB-CG2 4.3Å; A45-T49 PolarHBondContact O-N 2.88Å; A45-T49 PolarHBondContact O-OG1 2.89Å; A46-T49 WeakPolarHBondContact O-CB 3.28Å; A46-T49 PolarHBondContact O-N 3.5Å; T49-R51 VanDerWaalsContact C-N 3.28Å; T49-R51 PolarHBondContact O-N 3.41Å; T49-L52 WeakPolarHBondContact O-CB 3.19Å; T49-L52 PolarHBondContact O-N 2.79Å; T49-L53 HydrophobicContact CG2-CD2 4.38Å; T49-L53 WeakPolarHBondContact O-CG 3.22Å
50V93.1Very high78.5Confident23 Ų2366 Ų6614%0.13941%0.406CS..Hα-helixtrans-59.2-37178.2165.80000112.7A38 A46 Q47 D48 L52 L53 H67 A69A38-V50 HydrophobicContact CB-CG2 3.8Å; A46-V50 PolarHBondContact O-N 3.33Å; Q47-V50 WeakPolarHBondContact O-CB 3.41Å; Q47-V50 PolarHBondContact O-N 3.25Å; D48-V50 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.45Å; V50-L52 PolarHBondContact O-N 3.31Å; V50-L53 HydrophobicContact CG2-CD1 4.5Å; V50-L53 PolarHBondContact O-N 3.3Å; V50-H67 HydrophobicContact CG1-CB 4.06Å; V50-H67 HydrophobicContact CG2-CB 4.45Å; V50-A69 HydrophobicContact CG2-CB 3.93Å
51R89.7Confident76Confident180 Ų18067.6 Ų67.668%0.67943%0.43SS*.Hα-helixtrans-63.2-28.5176.1-64-176.5-133.6-1378.5112.9Q47 D48 T49Q47-R51 WeakPolarHBondContact O-CG 3.39Å; Q47-R51 PolarHBondContact O-N 3.04Å; Q47-R51 VanDerWaalsContact O-N 3.1Å; D48-R51 WeakPolarHBondContact O-CB 3.29Å; D48-R51 PolarHBondContact O-N 3.04Å; D48-R51 IonicContact OD1-CZ 3.43Å; D48-R51 IonicContact OD1-NE 3.13Å; D48-R51 PolarHBondContact OD1-NE 3.47Å; D48-R51 VanDerWaalsContact OD1-NE 3.13Å; D48-R51 IonicContact OD1-NH2 2.98Å; D48-R51 PolarHBondContact OD1-NH2 3.48Å; T49-R51 VanDerWaalsContact C-N 3.28Å; T49-R51 PolarHBondContact O-N 3.41Å
52L88.4Confident73.4Confident101 Ų10165.2 Ų65.253%0.52943%0.426SS..Hα-helixtrans-79.7-16.2-178.8-62.1172.3000113.6R23 V27 D48 T49 V50 G54R23-L52 HydrophobicContact CG-CD1 4.38Å; V27-L52 HydrophobicContact CG2-CB 4.43Å; D48-L52 WeakPolarHBondContact O-CG 3.36Å; D48-L52 PolarHBondContact O-N 3.33Å; T49-L52 WeakPolarHBondContact O-CB 3.19Å; T49-L52 PolarHBondContact O-N 2.79Å; V50-L52 PolarHBondContact O-N 3.31Å; L52-G54 VanDerWaalsContact C-N 3.28Å; L52-G54 PolarHBondContact O-N 3.13Å
53L87.8Confident71.1Confident14 Ų1466.7 Ų66.77%0.07344%0.44CS..SBendtrans-71.6-20.4-169.5-56.5-176.3000113.8S26 V27 A30 V36 T49 V50 H67S26-L53 VanDerWaalsContact C-CD2 3.45Å; S26-L53 WeakPolarHBondContact O-CD2 3.38Å; V27-L53 VanDerWaalsContact CA-CD2 3.47Å; V27-L53 HydrophobicContact CB-CD2 4.22Å; V27-L53 HydrophobicContact CG2-CD2 3.74Å; A30-L53 HydrophobicContact CB-CB 3.94Å; A30-L53 HydrophobicContact CB-CD2 4.19Å; A30-L53 HydrophobicContact CB-CG 4.42Å; V36-L53 HydrophobicContact CB-CD1 3.81Å; V36-L53 HydrophobicContact CG1-CD1 4.08Å; V36-L53 HydrophobicContact CG2-CD1 4.3Å; T49-L53 HydrophobicContact CG2-CD2 4.38Å; T49-L53 WeakPolarHBondContact O-CG 3.22Å; V50-L53 HydrophobicContact CG2-CD1 4.5Å; V50-L53 PolarHBondContact O-N 3.3Å; L53-H67 HydrophobicContact CD1-CB 3.58Å; L53-H67 VanDerWaalsContact CD1-CG 3.43Å
54G65.3Low68.5Low32 Ų3277.2 Ų77.233%0.3347%0.474SS..  trans57.4-168.4175.900000114.5L52L52-G54 VanDerWaalsContact C-N 3.28Å; L52-G54 PolarHBondContact O-N 3.13Å
55G49.3Very low66.5Low46 Ų4676.8 Ų76.847%0.47448%0.475SS..SBendtrans100.4163.917200000116.1G57 S58G55-G57 PolarHBondContact O-N 2.87Å; G55-S58 WeakPolarHBondContact O-CB 3.42Å; G55-S58 PolarHBondContact O-N 3.08Å; G55-S58 PolarHBondContact O-OG 3.44Å
56P41.3Very low65.5Low140 Ų14077.5 Ų77.591%0.90948%0.475SS*.THydrogen-bonded Turntrans-60.6100.917323.6-30.2000109.3
57G45.1Very low65.2Low31 Ų3179.2 Ų79.232%0.3248%0.483SS..THydrogen-bonded Turntrans131.50.9-168.400000115.5G55 E59 K66G55-G57 PolarHBondContact O-N 2.87Å; G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 2.89Å; G57-K66 WeakPolarHBondContact O-CD 3.49Å
58S46.3Very low65.2Low89 Ų8976 Ų7662%0.62247%0.472SS*.  trans-75.3-0.5-178.742.20000116.3G55G55-S58 WeakPolarHBondContact O-CB 3.42Å; G55-S58 PolarHBondContact O-N 3.08Å; G55-S58 PolarHBondContact O-OG 3.44Å
59E40.2Very low65.3Low168 Ų16874 Ų7479%0.78547%0.465SS*.SBendtrans-91.7138.4167-65.4-165.4170.800110.7G57 K66G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 2.89Å; E59-K66 PolarHBondContact O-NZ 3.01Å
60G38.1Very low65.4Low80 Ų8075.1 Ų75.183%0.82547%0.469SS*.SBendtrans-50151-170.400000116.1K66G60-K66 PolarHBondContact O-NZ 3.08Å
61G46.6Very low65.7Low64 Ų6480.3 Ų80.366%0.6649%0.492SS*.SBendtrans9093167.800000115.7K66G61-K66 VanDerWaalsContact C-NZ 3.29Å; G61-K66 WeakPolarHBondContact O-CE 3.48Å; G61-K66 PolarHBondContact O-NZ 3.12Å
62A42.9Very low66.1Low60 Ų6072.2 Ų72.250%0.49646%0.464SS..  trans-58.2142.4-173.100000116.3K66A62-K66 HydrophobicContact CB-CB 3.84Å; A62-K66 HydrophobicContact CB-CD 4.05Å; A62-K66 HydrophobicContact CB-CG 3.92Å
63P48.5Very low66.5Low118 Ų11870 Ų7077%0.76645%0.452SS*.SBendtrans-131.6-22.71336.315.9000117.1
64R43.1Very low67Low241 Ų24169.7 Ų69.791%0.90945%0.451SS*.SBendtrans-163.7127.7173.8-101169.9-168.4-146.81.7109.2
65G52.9Low68.6Low53 Ų5368.7 Ų68.755%0.54644%0.439SS..SBendtrans89.814.5178.500000116.6
66K76.1Confident70.9Confident32 Ų3271.4 Ų71.414%0.13944%0.439CS..  trans-94.8159.7-177.4-56.2-142-170.4-174.10112.3G57 E59 G60 G61 A62 F91G57-K66 WeakPolarHBondContact O-CD 3.49Å; E59-K66 PolarHBondContact O-NZ 3.01Å; G60-K66 PolarHBondContact O-NZ 3.08Å; G61-K66 VanDerWaalsContact C-NZ 3.29Å; G61-K66 WeakPolarHBondContact O-CE 3.48Å; G61-K66 PolarHBondContact O-NZ 3.12Å; A62-K66 HydrophobicContact CB-CB 3.84Å; A62-K66 HydrophobicContact CB-CD 4.05Å; A62-K66 HydrophobicContact CB-CG 3.92Å; K66-F91 WeakPolarHBondContact O-CE1 3.43Å
67H90.9Very high73.5Confident36 Ų3667.1 Ų67.117%0.16742%0.416CS..  trans-99.4153.4167.2-48.3-76.5000108.9A30 A34 V36 V50 L53A30-H67 VanDerWaalsContact CB-CE1 3.4Å; A30-H67 WeakPolarHBondContact CB-CE1 3.3Å; A34-H67 PolarHBondContact O-CE1 3.45Å; A34-H67 VanDerWaalsContact O-CE1 3.23Å; V36-H67 HydrophobicContact CB-CB 4.45Å; V36-H67 WeakPolarHBondContact CB-ND1 3.4Å; V36-H67 PolarHBondContact N-ND1 3.06Å; V36-H67 VanDerWaalsContact N-ND1 3.11Å; V36-H67 CarbonylContact O-C 3.36Å; V36-H67 WeakPolarHBondContact O-CA 3.38Å; V36-H67 WeakPolarHBondContact O-CB 3.32Å; V50-H67 HydrophobicContact CG1-CB 4.06Å; V50-H67 HydrophobicContact CG2-CB 4.45Å; L53-H67 HydrophobicContact CD1-CB 3.58Å; L53-H67 VanDerWaalsContact CD1-CG 3.43Å
68A93.8Very high75.9Confident20 Ų2068 Ų6817%0.16542%0.42CS..EExtended strand (participates in β ladder)trans-143.1146.4179.100000111.2V36 A37 A38 F70 F91V36-A68 PolarHBondContact O-N 2.75Å; A37-A68 CarbonylContact C-O 3.35Å; A37-A68 WeakPolarHBondContact CA-O 3.44Å; A38-A68 PolarHBondContact N-O 3.33Å; A68-F70 HydrophobicContact CB-CE2 3.73Å; A68-F70 HydrophobicContact CB-CZ 4.08Å; A68-F91 HydrophobicContact CB-CE2 3.97Å; A68-F91 HydrophobicContact CB-CZ 3.66Å
69A96.6Very high78.3Confident27 Ų2764.4 Ų64.422%0.22340%0.396CS..EExtended strand (participates in β ladder)trans-97143.7177.500000110.2A38 A46 Q47 V50A38-A69 CarbonylContact O-C 3.59Å; A38-A69 VanDerWaalsContact O-CA 3.28Å; A38-A69 WeakPolarHBondContact O-CA 3.24Å; A46-A69 HydrophobicContact CB-CB 4.08Å; Q47-A69 HydrophobicContact CB-CB 4.23Å; Q47-A69 VanDerWaalsContact OE1-CB 3.31Å; V50-A69 HydrophobicContact CG2-CB 3.93Å
70F97.9Very high80.9Confident22 Ų2256.5 Ų56.510%0.09636%0.359CS..EExtended strand (participates in β ladder)trans-132.6150.4176.1-61.1-94.4000109.2A37 A38 C39 D40 A68 L83 Q86 V87 C90 F91A37-F70 HydrophobicContact CB-CD2 3.92Å; A37-F70 HydrophobicContact CB-CE2 3.57Å; A38-F70 PolarHBondContact O-N 3.37Å; C39-F70 WeakPolarHBondContact CA-O 3.43Å; C39-F70 HydrophobicContact CB-CB 4.24Å; D40-F70 PolarHBondContact N-O 2.9Å; A68-F70 HydrophobicContact CB-CE2 3.73Å; A68-F70 HydrophobicContact CB-CZ 4.08Å; F70-L83 HydrophobicContact CB-CD1 3.52Å; F70-L83 HydrophobicContact CD1-CD1 4.27Å; F70-L83 HydrophobicContact CG-CD1 3.93Å; F70-Q86 HydrophobicContact CD1-CB 4.09Å; F70-Q86 HydrophobicContact CE1-CB 3.94Å; F70-V87 HydrophobicContact CD1-CG2 4.11Å; F70-V87 HydrophobicContact CD2-CG2 3.96Å; F70-V87 HydrophobicContact CE1-CG2 3.9Å; F70-V87 HydrophobicContact CE2-CG2 3.76Å; F70-V87 HydrophobicContact CG-CG2 4.15Å; F70-V87 HydrophobicContact CZ-CB 4.35Å; F70-V87 HydrophobicContact CZ-CG2 3.72Å; F70-C90 HydrophobicContact CE1-CB 4.36Å; F70-C90 HydrophobicContact CZ-CB 3.92Å; F70-F91 HydrophobicContact CE2-CE2 4Å; F70-F91 HydrophobicContact CZ-CE2 4.06Å
71Q98.3Very high83.6Confident132 Ų13259.8 Ų59.862%0.61735%0.346SS*.EExtended strand (participates in β ladder)trans-115123.2173.8-171.1-179.112.300109.4D40 L41D40-Q71 WeakPolarHBondContact O-CA 3.24Å; L41-Q71 WeakPolarHBondContact O-CG 3.44Å; L41-Q71 PolarHBondContact O-NE2 3.02Å
72A98.3Very high86Confident10 Ų1063 Ų638%0.08334%0.339CS..  trans-154.8141.4174.600000112D40 V74 L83D40-A72 PolarHBondContact O-N 3.49Å; D40-A72 VanDerWaalsContact O-N 3.09Å; A72-V74 PolarHBondContact O-N 2.83Å; A72-L83 HydrophobicContact CB-CB 4.2Å; A72-L83 HydrophobicContact CB-CD1 4.41Å; A72-L83 HydrophobicContact CB-CD2 4.18Å
73D98.3Very high88.6Confident54 Ų5460.2 Ų60.229%0.28932%0.315SS..  trans-85.3106162.6-177.3-8.1000109.3L41 S75 Q76 A79L41-D73 HydrophobicContact CD1-CB 3.69Å; D73-S75 PolarHBondContact O-N 3.34Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.08Å; D73-S75 PolarHBondContact OD1-N 2.81Å; D73-S75 PolarHBondContact OD1-OG 3.33Å; D73-S75 PolarHBondContact OD2-OG 3.11Å; D73-S75 VanDerWaalsContact OD2-OG 3.08Å; D73-Q76 HydrophobicContact CB-CG 4.2Å; D73-Q76 PolarHBondContact O-N 3.06Å; D73-A79 WeakPolarHBondContact O-CB 3.31Å
74V98.1Very high90.9Very high9 Ų954.8 Ų54.86%0.05528%0.28CS..THydrogen-bonded Turntrans-64.2-19.6-178.5-62.30000113.3T15 A72 Q76 A102 V124 G128 L131 V132T15-V74 HydrophobicContact CG2-CG1 4.06Å; A72-V74 PolarHBondContact O-N 2.83Å; V74-Q76 PolarHBondContact O-N 3.23Å; V74-A102 HydrophobicContact CG1-CB 4.41Å; V74-A102 HydrophobicContact CG2-CB 3.82Å; V74-V124 HydrophobicContact CG2-CG1 4.37Å; V74-G128 WeakPolarHBondContact O-CA 3.27Å; V74-L131 WeakPolarHBondContact O-CD1 3.32Å; V74-V132 HydrophobicContact CB-CG2 4.21Å; V74-V132 HydrophobicContact CG1-CG2 3.95Å
75S97.9Very high93.4Very high10 Ų1048.2 Ų48.27%0.0726%0.26CS..THydrogen-bonded Turntrans-70.3-15.4178.774.90000113.4D73 A123 K127D73-S75 PolarHBondContact O-N 3.34Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 3.08Å; D73-S75 PolarHBondContact OD1-N 2.81Å; D73-S75 PolarHBondContact OD1-OG 3.33Å; D73-S75 PolarHBondContact OD2-OG 3.11Å; D73-S75 VanDerWaalsContact OD2-OG 3.08Å; S75-A123 WeakPolarHBondContact CB-O 3.36Å; S75-K127 WeakPolarHBondContact O-CE 3.5Å; S75-K127 PolarHBondContact O-NZ 3.14Å
76Q97.9Very high95.5Very high103 Ų10350.6 Ų50.648%0.48126%0.256SS..SBendtrans-101.1118-176.9-57-56.1-38.700111.1D73 V74 A78 A79 A80D73-Q76 HydrophobicContact CB-CG 4.2Å; D73-Q76 PolarHBondContact O-N 3.06Å; V74-Q76 PolarHBondContact O-N 3.23Å; Q76-A78 VanDerWaalsContact C-N 3.29Å; Q76-A78 PolarHBondContact O-N 3.43Å; Q76-A79 HydrophobicContact CB-CB 3.9Å; Q76-A79 PolarHBondContact O-N 3.31Å; Q76-A80 PolarHBondContact O-N 3.12Å
77A95.3Very high96.5Very high50 Ų5049 Ų4941%0.41325%0.25SC..Hα-helixtrans-55.6-42-176.700000113.2A79 R81 L131A77-A79 VanDerWaalsContact C-N 3.33Å; A77-A79 PolarHBondContact O-N 3.01Å; A77-R81 PolarHBondContact O-N 3.44Å; A77-R81 VanDerWaalsContact O-N 3.15Å; A77-L131 HydrophobicContact CB-CD1 4.15Å; A77-L131 HydrophobicContact CB-CD2 3.74Å
78A96.8Very high96.7Very high50 Ų5050.1 Ų50.141%0.41326%0.255SS..Hα-helixtrans-67.6-33.8178.200000112.4Q76 R82Q76-A78 VanDerWaalsContact C-N 3.29Å; Q76-A78 PolarHBondContact O-N 3.43Å; A78-R82 WeakPolarHBondContact O-CB 3.46Å; A78-R82 VanDerWaalsContact O-CG 3.31Å; A78-R82 WeakPolarHBondContact O-CG 3.48Å; A78-R82 PolarHBondContact O-N 3.39Å; A78-R82 VanDerWaalsContact O-N 3.09Å
79A96.1Very high96.7Very high13 Ų1352.9 Ų52.911%0.10728%0.278CS..Hα-helixtrans-73.4-42.617800000111.6D73 Q76 A77 R81 R82 L83D73-A79 WeakPolarHBondContact O-CB 3.31Å; Q76-A79 HydrophobicContact CB-CB 3.9Å; Q76-A79 PolarHBondContact O-N 3.31Å; A77-A79 VanDerWaalsContact C-N 3.33Å; A77-A79 PolarHBondContact O-N 3.01Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 2.85Å; A79-R82 PolarHBondContact O-N 3.13Å; A79-L83 WeakPolarHBondContact O-CB 3.42Å; A79-L83 PolarHBondContact O-N 2.86Å
80A93.8Very high96.6Very high2 Ų254.4 Ų54.42%0.01729%0.286CS..Hα-helixtrans-60.2-41.1175.700000112.2Q76 L84 L131 V132Q76-A80 PolarHBondContact O-N 3.12Å; A80-L84 PolarHBondContact O-N 2.78Å; A80-L131 HydrophobicContact CB-CB 3.75Å; A80-V132 HydrophobicContact CB-CG2 4.4Å
81R94.8Very high96.4Very high149 Ų14954.9 Ų54.956%0.56229%0.288SS*.Hα-helixtrans-63.4-51.8174.1-174.8-176.9-63.2153.41.7111.8A77 A79 L83 L84 E85A77-R81 PolarHBondContact O-N 3.44Å; A77-R81 VanDerWaalsContact O-N 3.15Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 2.85Å; R81-L83 VanDerWaalsContact C-N 3.26Å; R81-L83 PolarHBondContact O-N 2.7Å; R81-L84 PolarHBondContact O-N 3.37Å; R81-L84 VanDerWaalsContact O-N 3.15Å; R81-E85 WeakPolarHBondContact CG-OE1 3.44Å; R81-E85 PolarHBondContact O-N 2.97Å; R81-E85 VanDerWaalsContact O-N 3.15Å
82R97.7Very high96.1Very high133 Ų13353.9 Ų53.950%0.50230%0.296SS..Hα-helixtrans-59.2-36.5179.1-77.7-170.4-59.1-991.4112.6A78 A79 L84 E85 Q86A78-R82 WeakPolarHBondContact O-CB 3.46Å; A78-R82 VanDerWaalsContact O-CG 3.31Å; A78-R82 WeakPolarHBondContact O-CG 3.48Å; A78-R82 PolarHBondContact O-N 3.39Å; A78-R82 VanDerWaalsContact O-N 3.09Å; A79-R82 PolarHBondContact O-N 3.13Å; R82-L84 PolarHBondContact O-N 2.8Å; R82-E85 PolarHBondContact O-N 3.03Å; R82-Q86 WeakPolarHBondContact O-CB 3.24Å; R82-Q86 VanDerWaalsContact O-CG 3.24Å; R82-Q86 WeakPolarHBondContact O-CG 3.46Å; R82-Q86 PolarHBondContact O-N 3.33Å
83L97.9Very high96Very high0 Ų058 Ų580%031%0.309CS..Hα-helixtrans-56.6-49.8175.6173.163.1000111.1L13 T15 C39 F70 A72 A79 R81 E85 Q86 V87L13-L83 HydrophobicContact CD1-CD1 4.4Å; L13-L83 HydrophobicContact CD1-CD2 4.31Å; L13-L83 HydrophobicContact CD1-CG 4.45Å; L13-L83 HydrophobicContact CD2-CD2 4.25Å; L13-L83 HydrophobicContact CD2-CG 4.38Å; T15-L83 HydrophobicContact CG2-CD2 4.21Å; C39-L83 HydrophobicContact CB-CD1 4.04Å; C39-L83 HydrophobicContact CB-CD2 4.12Å; C39-L83 VanDerWaalsContact SG-CD2 3.53Å; F70-L83 HydrophobicContact CB-CD1 3.52Å; F70-L83 HydrophobicContact CD1-CD1 4.27Å; F70-L83 HydrophobicContact CG-CD1 3.93Å; A72-L83 HydrophobicContact CB-CB 4.2Å; A72-L83 HydrophobicContact CB-CD1 4.41Å; A72-L83 HydrophobicContact CB-CD2 4.18Å; A79-L83 WeakPolarHBondContact O-CB 3.42Å; A79-L83 PolarHBondContact O-N 2.86Å; R81-L83 VanDerWaalsContact C-N 3.26Å; R81-L83 PolarHBondContact O-N 2.7Å; L83-E85 PolarHBondContact O-N 3.33Å; L83-Q86 PolarHBondContact O-N 2.96Å; L83-V87 HydrophobicContact CD1-CG2 4.09Å; L83-V87 WeakPolarHBondContact O-CB 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.48Å; L83-V87 PolarHBondContact O-N 2.87Å
84L96.4Very high95.9Very high5 Ų556.3 Ų56.33%0.02630%0.301CS..Hα-helixtrans-64.4-40.2179.1-90.8-63.5000112.1L13 A80 R81 R82 V87 Q88 P95 A135L13-L84 HydrophobicContact CD2-CD1 3.95Å; L13-L84 HydrophobicContact CD2-CD2 3.69Å; L13-L84 HydrophobicContact CD2-CG 4.49Å; A80-L84 PolarHBondContact O-N 2.78Å; R81-L84 PolarHBondContact O-N 3.37Å; R81-L84 VanDerWaalsContact O-N 3.15Å; R82-L84 PolarHBondContact O-N 2.8Å; L84-V87 PolarHBondContact O-N 2.95Å; L84-Q88 WeakPolarHBondContact O-CB 3.35Å; L84-Q88 VanDerWaalsContact O-CG 3.28Å; L84-Q88 WeakPolarHBondContact O-CG 3.21Å; L84-Q88 PolarHBondContact O-N 3.16Å; L84-P95 HydrophobicContact CD1-CG 3.58Å; L84-A135 HydrophobicContact CB-CB 4.34Å; L84-A135 HydrophobicContact CD2-CB 3.91Å; L84-A135 HydrophobicContact CG-CB 3.85Å
85E96.4Very high95.9Very high103 Ų10355.9 Ų55.948%0.48130%0.298SS..Hα-helixtrans-61.3-45.9175.3-68.2166.4179.600111.5R81 R82 L83 Q88 A89R81-E85 WeakPolarHBondContact CG-OE1 3.44Å; R81-E85 PolarHBondContact O-N 2.97Å; R81-E85 VanDerWaalsContact O-N 3.15Å; R82-E85 PolarHBondContact O-N 3.03Å; L83-E85 PolarHBondContact O-N 3.33Å; E85-Q88 PolarHBondContact O-N 2.9Å; E85-A89 WeakPolarHBondContact O-CB 3.45Å; E85-A89 PolarHBondContact O-N 3.08Å
86Q97.1Very high95.9Very high102 Ų10257 Ų5748%0.47731%0.307SS..Hα-helixtrans-64.5-42.8177.9-74.1175.2-36.600112F70 R82 L83 A89 C90F70-Q86 HydrophobicContact CD1-CB 4.09Å; F70-Q86 HydrophobicContact CE1-CB 3.94Å; R82-Q86 WeakPolarHBondContact O-CB 3.24Å; R82-Q86 VanDerWaalsContact O-CG 3.24Å; R82-Q86 WeakPolarHBondContact O-CG 3.46Å; R82-Q86 PolarHBondContact O-N 3.33Å; L83-Q86 PolarHBondContact O-N 2.96Å; Q86-A89 PolarHBondContact O-N 2.8Å; Q86-C90 WeakPolarHBondContact O-CB 3.28Å; Q86-C90 PolarHBondContact O-N 2.78Å
87V96.3Very high95.9Very high0 Ų052.3 Ų52.30%029%0.285CS..Hα-helixtrans-62-47.5175.3170.20000110.1L11 L13 A37 F70 L83 L84 A89 C90 F91 P95L11-V87 HydrophobicContact CD2-CG1 4.1Å; L13-V87 HydrophobicContact CD1-CG2 4.12Å; A37-V87 HydrophobicContact CB-CG1 3.95Å; A37-V87 HydrophobicContact CB-CG2 3.87Å; F70-V87 HydrophobicContact CD1-CG2 4.11Å; F70-V87 HydrophobicContact CD2-CG2 3.96Å; F70-V87 HydrophobicContact CE1-CG2 3.9Å; F70-V87 HydrophobicContact CE2-CG2 3.76Å; F70-V87 HydrophobicContact CG-CG2 4.15Å; F70-V87 HydrophobicContact CZ-CB 4.35Å; F70-V87 HydrophobicContact CZ-CG2 3.72Å; L83-V87 HydrophobicContact CD1-CG2 4.09Å; L83-V87 WeakPolarHBondContact O-CB 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.48Å; L83-V87 PolarHBondContact O-N 2.87Å; L84-V87 PolarHBondContact O-N 2.95Å; V87-A89 PolarHBondContact O-N 3.28Å; V87-C90 PolarHBondContact O-N 3.36Å; V87-F91 HydrophobicContact CG1-CD2 4.01Å; V87-F91 VanDerWaalsContact O-CD2 3.29Å; V87-F91 WeakPolarHBondContact O-CD2 3.33Å; V87-F91 PolarHBondContact O-N 3.12Å; V87-P95 HydrophobicContact CG1-CG 4.44Å
88Q95.1Very high96.1Very high58 Ų5850 Ų5027%0.27127%0.265SS..Hα-helixtrans-60.8-44.3177.7-79.3173.925.500112.7L84 E85 S92 R93 P94L84-Q88 WeakPolarHBondContact O-CB 3.35Å; L84-Q88 VanDerWaalsContact O-CG 3.28Å; L84-Q88 WeakPolarHBondContact O-CG 3.21Å; L84-Q88 PolarHBondContact O-N 3.16Å; E85-Q88 PolarHBondContact O-N 2.9Å; Q88-S92 WeakPolarHBondContact O-CA 3.37Å; Q88-S92 PolarHBondContact O-N 3.18Å; Q88-R93 PolarHBondContact O-N 3.21Å; Q88-P94 HydrophobicContact CG-CB 4.26Å
89A94.8Very high96.2Very high79 Ų7947.6 Ų47.665%0.65325%0.246SC*.Hα-helixtrans-62.9-44.4176.700000111.2E85 Q86 V87 F91E85-A89 WeakPolarHBondContact O-CB 3.45Å; E85-A89 PolarHBondContact O-N 3.08Å; Q86-A89 PolarHBondContact O-N 2.8Å; V87-A89 PolarHBondContact O-N 3.28Å; A89-F91 PolarHBondContact O-N 3.08Å
90C93.1Very high96.3Very high58 Ų5847 Ų4739%0.39224%0.241SC..Hα-helixtrans-63.8-40.5-179.3-175.90000112.7F70 Q86 V87F70-C90 HydrophobicContact CE1-CB 4.36Å; F70-C90 HydrophobicContact CZ-CB 3.92Å; Q86-C90 WeakPolarHBondContact O-CB 3.28Å; Q86-C90 PolarHBondContact O-N 2.78Å; V87-C90 PolarHBondContact O-N 3.36Å
91F93.1Very high96.6Very high32 Ų3247.9 Ų47.914%0.1425%0.247CC..Hα-helixtrans-103.2-3.2-174.9-69.1-75.9000114.6L11 A35 A37 K66 A68 F70 V87 A89 R93L11-F91 HydrophobicContact CD1-CB 4.24Å; L11-F91 HydrophobicContact CD1-CD1 3.82Å; L11-F91 HydrophobicContact CD1-CD2 3.72Å; L11-F91 HydrophobicContact CD1-CE1 4.08Å; L11-F91 HydrophobicContact CD1-CE2 3.99Å; L11-F91 HydrophobicContact CD1-CG 3.63Å; L11-F91 HydrophobicContact CD1-CZ 4.15Å; L11-F91 HydrophobicContact CD2-CB 3.48Å; L11-F91 VanDerWaalsContact CD2-CB 3.48Å; L11-F91 HydrophobicContact CD2-CD2 3.98Å; L11-F91 HydrophobicContact CD2-CG 3.76Å; L11-F91 HydrophobicContact CG-CG 4.37Å; A35-F91 HydrophobicContact CB-CE1 4.35Å; A37-F91 HydrophobicContact CB-CE2 3.92Å; K66-F91 WeakPolarHBondContact O-CE1 3.43Å; A68-F91 HydrophobicContact CB-CE2 3.97Å; A68-F91 HydrophobicContact CB-CZ 3.66Å; F70-F91 HydrophobicContact CE2-CE2 4Å; F70-F91 HydrophobicContact CZ-CE2 4.06Å; V87-F91 HydrophobicContact CG1-CD2 4.01Å; V87-F91 VanDerWaalsContact O-CD2 3.29Å; V87-F91 WeakPolarHBondContact O-CD2 3.33Å; V87-F91 PolarHBondContact O-N 3.12Å; A89-F91 PolarHBondContact O-N 3.08Å; F91-R93 HydrophobicContact CB-CG 4.33Å; F91-R93 PolarHBondContact O-N 3.17Å
92S93.9Very high96.7Very high111 Ų11141.6 Ų41.678%0.77623%0.227SC*.THydrogen-bonded Turntrans55.324.9-175.2-55.40000114.3Q88Q88-S92 WeakPolarHBondContact O-CA 3.37Å; Q88-S92 PolarHBondContact O-N 3.18Å
93R94.4Very high96.7Very high97 Ų9736.6 Ų36.637%0.36622%0.217SC..SBendtrans-161.6152.7178.166.2-172.4-178.8159.76111.1S9 A10 L11 Q88 F91S9-R93 PolarHBondContact O-NH1 3.23Å; S9-R93 PolarHBondContact O-NH2 3.44Å; A10-R93 PolarHBondContact O-NH2 3.45Å; L11-R93 HydrophobicContact CB-CG 4.49Å; L11-R93 HydrophobicContact CD2-CG 3.89Å; L11-R93 WeakPolarHBondContact CD2-O 3.41Å; Q88-R93 PolarHBondContact O-N 3.21Å; F91-R93 HydrophobicContact CB-CG 4.33Å; F91-R93 PolarHBondContact O-N 3.17Å
94P96.8Very high96.6Very high18 Ų1838.7 Ų38.712%0.11723%0.227CC..  trans-68.4151.617231.5-37.4000111.7Q88 S96 A139 L140 C145Q88-P94 HydrophobicContact CG-CB 4.26Å; P94-S96 PolarHBondContact O-N 2.81Å; P94-A139 HydrophobicContact CB-CB 4.21Å; P94-L140 HydrophobicContact CB-CD2 4.46Å; P94-L140 HydrophobicContact CG-CD2 4.46Å; P94-C145 HydrophobicContact CG-CB 4.41Å
95P97.6Very high96.5Very high0 Ų040.1 Ų40.10%024%0.236CC..  trans-67.2120.5172.228.3-33000110.1L11 L13 L84 V87 V97 V98 L140L11-P95 HydrophobicContact CD2-CB 4.3Å; L11-P95 HydrophobicContact CG-CB 4.09Å; L11-P95 CarbonylContact O-C 3.57Å; L11-P95 VanDerWaalsContact O-CA 3.27Å; L11-P95 WeakPolarHBondContact O-CA 3.5Å; L13-P95 HydrophobicContact CB-CB 3.9Å; L13-P95 HydrophobicContact CB-CG 4.11Å; L84-P95 HydrophobicContact CD1-CG 3.58Å; V87-P95 HydrophobicContact CG1-CG 4.44Å; P95-V97 VanDerWaalsContact C-N 3.3Å; P95-V98 HydrophobicContact CB-CG2 3.95Å; P95-V98 HydrophobicContact CG-CG2 3.78Å; P95-L140 WeakPolarHBondContact O-CD2 3.32Å
96S98.1Very high96.5Very high35 Ų3540.2 Ų40.225%0.24523%0.232CC..SBendtrans-79-16.8175.462.40000112.6A10 L11 P94 G147 S148A10-S96 WeakPolarHBondContact CA-OG 3.34Å; L11-S96 PolarHBondContact N-OG 3.42Å; L11-S96 PolarHBondContact O-N 3.26Å; P94-S96 PolarHBondContact O-N 2.81Å; S96-G147 CarbonylContact O-C 3.48Å; S96-G147 WeakPolarHBondContact O-CA 3.36Å; S96-S148 PolarHBondContact O-N 2.79Å
97V98.8Very high96.4Very high4 Ų439.6 Ų39.62%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-124.1128172.9176.40000108A10 L11 A12 L13 L29 P95 V99 S148 I150 A239A10-V97 HydrophobicContact CB-CG2 4.19Å; L11-V97 PolarHBondContact O-N 3.09Å; A12-V97 CarbonylContact C-O 3.55Å; 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 4.2Å; L13-V97 PolarHBondContact N-O 3.49Å; L29-V97 HydrophobicContact CD1-CG1 4.41Å; P95-V97 VanDerWaalsContact C-N 3.3Å; V97-V99 HydrophobicContact CG1-CG2 4.17Å; V97-S148 CarbonylContact C-O 3.59Å; V97-S148 VanDerWaalsContact CA-O 3.31Å; V97-S148 WeakPolarHBondContact CA-O 3.24Å; V97-I150 HydrophobicContact CG1-CD1 4.06Å; V97-A239 HydrophobicContact CG1-CB 3.71Å; V97-A239 HydrophobicContact CG2-CB 3.97Å
98V98.9Very high96.5Very high0 Ų043.2 Ų43.20%025%0.249CC..EExtended strand (participates in β ladder)trans-129.6123.6176-178.20000109.5L13 P95 V132 A136 S148 I149 I150L13-V98 HydrophobicContact CB-CG1 4.5Å; L13-V98 HydrophobicContact CB-CG2 4.33Å; L13-V98 HydrophobicContact CD2-CG1 4.41Å; L13-V98 CarbonylContact O-C 3.56Å; L13-V98 WeakPolarHBondContact O-CA 3.4Å; P95-V98 HydrophobicContact CB-CG2 3.95Å; P95-V98 HydrophobicContact CG-CG2 3.78Å; V98-V132 HydrophobicContact CG1-CG1 3.78Å; V98-A136 HydrophobicContact CB-CB 4.13Å; V98-A136 HydrophobicContact CG1-CB 4.09Å; V98-A136 HydrophobicContact CG2-CB 3.65Å; V98-S148 PolarHBondContact N-O 3.09Å; V98-I149 CarbonylContact O-C 3.58Å; V98-I149 WeakPolarHBondContact O-CA 3.44Å; V98-I150 PolarHBondContact O-N 3.49Å
99V98.9Very high96.6Very high0 Ų046.4 Ų46.40%026%0.262CS..EExtended strand (participates in β ladder)trans-117.1112.3-180-170.10000110L13 V14 T15 I25 L29 V97 C101 I150 I152 V235L13-V99 PolarHBondContact O-N 3.3Å; V14-V99 WeakPolarHBondContact CA-O 3.34Å; V14-V99 HydrophobicContact CG1-CB 4.31Å; V14-V99 HydrophobicContact CG2-CB 4.27Å; V14-V99 HydrophobicContact CG2-CG2 4.39Å; T15-V99 PolarHBondContact N-O 2.91Å; I25-V99 HydrophobicContact CD1-CG1 4.07Å; I25-V99 HydrophobicContact CG2-CB 4.47Å; I25-V99 HydrophobicContact CG2-CG1 4.27Å; I25-V99 HydrophobicContact CG2-CG2 4.2Å; L29-V99 HydrophobicContact CD1-CG2 4.23Å; V97-V99 HydrophobicContact CG1-CG2 4.17Å; V99-C101 HydrophobicContact CG1-CB 4.44Å; V99-C101 PolarHBondContact O-N 3.34Å; V99-I150 CarbonylContact C-O 3.47Å; V99-I150 VanDerWaalsContact CA-O 3.25Å; V99-I150 WeakPolarHBondContact CA-O 3.21Å; V99-I150 HydrophobicContact CG2-CB 4.4Å; V99-I150 HydrophobicContact CG2-CD1 4.29Å; V99-I152 HydrophobicContact CG1-CD1 4.1Å; V99-I152 HydrophobicContact CG1-CG1 4.02Å; V99-V235 HydrophobicContact CG1-CG1 4.23Å; V99-V235 HydrophobicContact CG2-CG1 3.79Å
100S98.8Very high96.7Very high2 Ų248.3 Ų48.31%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-88.594.8174.7-56.60000109.5T15 I150 N151 I152T15-S100 WeakPolarHBondContact OG1-CA 3.4Å; S100-I150 PolarHBondContact N-O 2.89Å; S100-N151 WeakPolarHBondContact CB-OD1 3.37Å; S100-N151 PolarHBondContact OG-OD1 2.87Å; S100-I152 WeakPolarHBondContact O-CB 3.27Å; S100-I152 PolarHBondContact O-N 3.44Å
101C98.6Very high96.9Very high20 Ų2052.9 Ų52.914%0.13528%0.28CS..  trans-113.2-8.1-179-169.30000113.6T15 V99 G103 I152T15-C101 CarbonylContact O-C 3.51Å; T15-C101 VanDerWaalsContact O-CA 3.3Å; T15-C101 WeakPolarHBondContact O-CA 3.47Å; T15-C101 WeakPolarHBondContact O-CB 3.28Å; T15-C101 PolarHBondContact O-N 3.46Å; T15-C101 VanDerWaalsContact O-N 3.14Å; T15-C101 PolarHBondContact OG1-N 3.46Å; V99-C101 HydrophobicContact CG1-CB 4.44Å; V99-C101 PolarHBondContact O-N 3.34Å; C101-G103 PolarHBondContact O-N 2.84Å; C101-I152 HydrophobicContact CB-CB 4.32Å; C101-I152 HydrophobicContact CB-CG1 3.73Å
102A97.7Very high97.1Very high17 Ų1757.7 Ų57.714%0.1430%0.303CS..  trans-57.6132173.600000111.2T15 V74T15-A102 PolarHBondContact O-N 3.28Å; T15-A102 VanDerWaalsContact O-N 3.13Å; T15-A102 PolarHBondContact OG1-N 2.93Å; V74-A102 HydrophobicContact CG1-CB 4.41Å; V74-A102 HydrophobicContact CG2-CB 3.82Å
103G97Very high97.3Very high28 Ų2853.8 Ų53.829%0.28927%0.273SS..  trans-171.4152.7178.700000112.9C101 N125C101-G103 PolarHBondContact O-N 2.84Å; G103-N125 WeakPolarHBondContact CA-OD1 3.4Å
104I97.1Very high97.5Very high44 Ų4451.4 Ų51.423%0.22627%0.271CS..  trans-134.6163.2179.160.8166.2000110.9R120 V121 V124 N125 Y167I104-R120 HydrophobicContact CD1-CG 3.7Å; I104-V121 HydrophobicContact CD1-CG2 4.28Å; I104-V121 HydrophobicContact CG1-CG2 4.24Å; I104-V124 HydrophobicContact CD1-CB 4.22Å; I104-V124 HydrophobicContact CD1-CG2 3.97Å; I104-V124 HydrophobicContact CG1-CB 4.04Å; I104-V124 HydrophobicContact CG1-CG1 4.24Å; I104-V124 HydrophobicContact CG1-CG2 4.3Å; I104-V124 HydrophobicContact CG2-CG1 4.38Å; I104-N125 PolarHBondContact N-OD1 3.48Å; I104-N125 PolarHBondContact O-ND2 3.47Å; I104-N125 PolarHBondContact O-OD1 3.3Å; I104-Y167 WeakPolarHBondContact O-CD2 3.44Å
105T94.9Very high97.6Very high35 Ų3558.5 Ų58.522%0.21530%0.303CS..  trans-123.1148.6170.156.60000110.4Y167 M204T105-Y167 HydrophobicContact CG2-CD2 3.65Å; T105-Y167 HydrophobicContact CG2-CE2 3.79Å; T105-Y167 HydrophobicContact CG2-CG 4.09Å; T105-M204 HydrophobicContact CG2-CE 4.41Å; T105-M204 HydrophobicContact CG2-SD 3.98Å
106R95.9Very high97.7Very high104 Ų10464.1 Ų64.139%0.39233%0.329SS..  trans-143.677170.1-71.5-65-177.1-85.72.1106.5D117 V121 N166R106-D117 HydrophobicContact CB-CB 3.76Å; R106-D117 WeakPolarHBondContact CD-OD1 3.26Å; R106-D117 HydrophobicContact CG-CB 4.13Å; R106-D117 WeakPolarHBondContact CG-OD1 3.37Å; R106-D117 IonicContact NE-OD1 2.8Å; R106-V121 HydrophobicContact CB-CG2 3.82Å; R106-V121 HydrophobicContact CG-CG2 3.95Å; R106-N166 PolarHBondContact O-ND2 3.15Å
107D95.2Very high97.7Very high89 Ų8964.6 Ų64.648%0.47633%0.329SS..  trans-75.7128.1-171.6-62.3-9.4000109.5G163 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 2.96Å; D107-Q164 PolarHBondContact OD2-NE2 3.36Å
108E96.7Very high97.7Very high76 Ų7668.6 Ų68.636%0.35534%0.344SS..BIsolated β-bridgetrans-159.1150.3176.3-176.150.9-93.700108.7H112 M113 G163E108-H112 HydrophobicContact CG-CB 3.73Å; E108-M113 HydrophobicContact CB-CE 4.19Å; E108-M113 WeakPolarHBondContact O-CE 3.5Å; E108-G163 PolarHBondContact N-O 3.01Å; E108-G163 CarbonylContact O-C 3.26Å; E108-G163 VanDerWaalsContact O-C 3.26Å; E108-G163 VanDerWaalsContact O-CA 3.23Å; E108-G163 WeakPolarHBondContact O-CA 3.34Å
109F97.1Very high97.7Very high125 Ų12573.3 Ų73.355%0.54837%0.369SS..  trans-62146.3171.9-74.6-83.3000111L111 H112 M113 I162F109-L111 PolarHBondContact O-N 3.05Å; F109-H112 PolarHBondContact O-N 2.78Å; F109-M113 PolarHBondContact O-N 2.82Å; F109-I162 HydrophobicContact CD1-CG2 4.2Å; F109-I162 HydrophobicContact CE1-CG2 3.47Å; F109-I162 VanDerWaalsContact CE1-CG2 3.47Å; F109-I162 HydrophobicContact CZ-CG2 4.09Å
110L97.6Very high97.6Very high119 Ų11978.2 Ų78.262%0.62339%0.387SS*.THydrogen-bonded Turntrans-51.3-38.6-177.1179.163.2000113.4H112 T165L110-H112 PolarHBondContact O-N 3.34Å; L110-T165 HydrophobicContact CD1-CG2 3.91Å
111L97.8Very high97.6Very high154 Ų15478.1 Ų78.181%0.80639%0.387SS*.THydrogen-bonded Turntrans-69.3-15.4-178.6-61.4179.8000114.1F109F109-L111 PolarHBondContact O-N 3.05Å
112H97.9Very high97.7Very high133 Ų13379 Ų7962%0.61639%0.39SS*.THydrogen-bonded Turntrans-122.3-2.2-175.6-58.9-45.9000113E108 F109 L110 S114E108-H112 HydrophobicContact CG-CB 3.73Å; F109-H112 PolarHBondContact O-N 2.78Å; L110-H112 PolarHBondContact O-N 3.34Å; H112-S114 PolarHBondContact O-N 2.99Å
113M98.4Very high97.7Very high30 Ų3079.5 Ų79.515%0.14839%0.393CS..  trans-65.4118.6-178.6-169.7159.4-60.300110.3E108 F109 W118 N166E108-M113 HydrophobicContact CB-CE 4.19Å; E108-M113 WeakPolarHBondContact O-CE 3.5Å; F109-M113 PolarHBondContact O-N 2.82Å; M113-W118 HydrophobicContact SD-CE3 3.97Å; M113-N166 HydrophobicContact SD-CB 3.66Å; M113-N166 VanDerWaalsContact SD-CG 3.54Å
114S98.6Very high97.8Very high47 Ų4779.2 Ų79.233%0.32939%0.386SS..  trans-71148.3174.975.30000110.7H112 E116 D117 W118H112-S114 PolarHBondContact O-N 2.99Å; S114-E116 PolarHBondContact O-N 3.32Å; S114-D117 PolarHBondContact O-N 3.23Å; S114-D117 WeakPolarHBondContact OG-CB 3.32Å; S114-D117 PolarHBondContact OG-N 3.09Å; S114-D117 PolarHBondContact OG-OD2 2.91Å; S114-W118 PolarHBondContact O-N 3.06Å
115E98.5Very high97.9Very high166 Ų16677.1 Ų77.178%0.77638%0.375SS*.Hα-helixtrans-60-35.1171.9-68.3-177.4-177.400111.3W118 D119E115-W118 WeakPolarHBondContact O-CB 3.49Å; E115-W118 PolarHBondContact O-N 2.88Å; E115-D119 VanDerWaalsContact O-CB 3.3Å; E115-D119 WeakPolarHBondContact O-CB 3.4Å; E115-D119 PolarHBondContact O-N 2.99Å
116E98.5Very high98.1Very high119 Ų11977.5 Ų77.556%0.55638%0.376SS*.Hα-helixtrans-62.1-46.6177.6-173.4-170.6153.100112.1S114 D119 R120S114-E116 PolarHBondContact O-N 3.32Å; E116-D119 PolarHBondContact O-N 3.03Å; E116-R120 WeakPolarHBondContact O-CB 3.33Å; E116-R120 PolarHBondContact O-N 2.75Å; E116-R120 IonicContact OE1-CZ 3.5Å; E116-R120 IonicContact OE1-NH1 2.71Å; E116-R120 PolarHBondContact OE1-NH1 3.13Å; E116-R120 IonicContact OE1-NH2 3.45Å; E116-R120 PolarHBondContact OE1-NH2 2.75Å
117D98.4Very high98.2Very high45 Ų4577.2 Ų77.224%0.24138%0.377CS..Hα-helixtrans-69.8-36.5178.8-76.5-41.1000112R106 S114 R120 V121R106-D117 HydrophobicContact CB-CB 3.76Å; R106-D117 WeakPolarHBondContact CD-OD1 3.26Å; R106-D117 HydrophobicContact CG-CB 4.13Å; R106-D117 WeakPolarHBondContact CG-OD1 3.37Å; R106-D117 IonicContact NE-OD1 2.8Å; S114-D117 PolarHBondContact O-N 3.23Å; S114-D117 WeakPolarHBondContact OG-CB 3.32Å; S114-D117 PolarHBondContact OG-N 3.09Å; S114-D117 PolarHBondContact OG-OD2 2.91Å; D117-R120 IonicContact OD1-NH1 3.34Å; D117-V121 WeakPolarHBondContact O-CG2 3.44Å; D117-V121 PolarHBondContact O-N 3.31Å
118W98.6Very high98.4Very high88 Ų8873 Ų7333%0.33336%0.355SS..Hα-helixtrans-57.5-57.4170.2173.4-88.2000110.9M113 S114 E115 R120 V121 I122 T165 N166M113-W118 HydrophobicContact SD-CE3 3.97Å; S114-W118 PolarHBondContact O-N 3.06Å; E115-W118 WeakPolarHBondContact O-CB 3.49Å; E115-W118 PolarHBondContact O-N 2.88Å; W118-R120 VanDerWaalsContact C-N 3.32Å; W118-R120 PolarHBondContact O-N 3.03Å; W118-V121 PolarHBondContact O-N 2.92Å; W118-I122 HydrophobicContact CD2-CG1 4.39Å; W118-I122 HydrophobicContact CZ2-CD1 4.23Å; W118-I122 HydrophobicContact CZ2-CG1 4.29Å; W118-I122 WeakPolarHBondContact O-CG1 3.25Å; W118-I122 PolarHBondContact O-N 3.08Å; W118-T165 HydrophobicContact CZ3-CG2 3.82Å; W118-N166 HydrophobicContact CD2-CB 4.3Å; W118-N166 HydrophobicContact CE3-CB 3.67Å; W118-N166 HydrophobicContact CZ3-CB 4.19Å
119D98.8Very high98.5Very high99 Ų9969.6 Ų69.653%0.52934%0.34SS..Hα-helixtrans-61.4-41.2-176.4-81-11.8000111.6E115 E116 V121 I122 A123E115-D119 VanDerWaalsContact O-CB 3.3Å; E115-D119 WeakPolarHBondContact O-CB 3.4Å; E115-D119 PolarHBondContact O-N 2.99Å; E116-D119 PolarHBondContact O-N 3.03Å; D119-V121 PolarHBondContact O-N 3.44Å; D119-I122 PolarHBondContact O-N 3.04Å; D119-A123 WeakPolarHBondContact O-CB 3.4Å; D119-A123 PolarHBondContact O-N 3Å
120R98.6Very high98.6Very high102 Ų10267.7 Ų67.739%0.38533%0.331SS..Hα-helixtrans-61.5-44.6178.7-171.9179-81.3136.5-1.2111.4I104 E116 D117 W118 V124I104-R120 HydrophobicContact CD1-CG 3.7Å; E116-R120 WeakPolarHBondContact O-CB 3.33Å; E116-R120 PolarHBondContact O-N 2.75Å; E116-R120 IonicContact OE1-CZ 3.5Å; E116-R120 IonicContact OE1-NH1 2.71Å; E116-R120 PolarHBondContact OE1-NH1 3.13Å; E116-R120 IonicContact OE1-NH2 3.45Å; E116-R120 PolarHBondContact OE1-NH2 2.75Å; D117-R120 IonicContact OD1-NH1 3.34Å; W118-R120 VanDerWaalsContact C-N 3.32Å; W118-R120 PolarHBondContact O-N 3.03Å; R120-V124 WeakPolarHBondContact O-CG2 3.3Å; R120-V124 PolarHBondContact O-N 3.02Å; R120-V124 VanDerWaalsContact O-N 3.16Å
121V98.8Very high98.6Very high0 Ų062.9 Ų62.90%031%0.306CS..Hα-helixtrans-66.6-44.5177.8170.40000111.2I104 R106 D117 W118 D119 A123 N125 N166I104-V121 HydrophobicContact CD1-CG2 4.28Å; I104-V121 HydrophobicContact CG1-CG2 4.24Å; R106-V121 HydrophobicContact CB-CG2 3.82Å; R106-V121 HydrophobicContact CG-CG2 3.95Å; D117-V121 WeakPolarHBondContact O-CG2 3.44Å; D117-V121 PolarHBondContact O-N 3.31Å; W118-V121 PolarHBondContact O-N 2.92Å; D119-V121 PolarHBondContact O-N 3.44Å; V121-A123 PolarHBondContact O-N 3.13Å; V121-N125 WeakPolarHBondContact O-CB 3.26Å; V121-N125 PolarHBondContact O-N 2.81Å; V121-N166 HydrophobicContact CB-CB 4.02Å; V121-N166 HydrophobicContact CG1-CB 3.99Å; V121-N166 HydrophobicContact CG2-CB 4.44Å
122I98.8Very high98.7Very high40 Ų4055.5 Ų55.521%0.20527%0.268CS..Hα-helixtrans-63.3-42.5177.2-64.8-64.6000111.3W118 D119 V124 L126 K127W118-I122 HydrophobicContact CD2-CG1 4.39Å; W118-I122 HydrophobicContact CZ2-CD1 4.23Å; W118-I122 HydrophobicContact CZ2-CG1 4.29Å; W118-I122 WeakPolarHBondContact O-CG1 3.25Å; W118-I122 PolarHBondContact O-N 3.08Å; D119-I122 PolarHBondContact O-N 3.04Å; I122-V124 PolarHBondContact O-N 3.42Å; I122-L126 PolarHBondContact O-N 2.8Å; I122-L126 VanDerWaalsContact O-N 3.08Å; I122-K127 PolarHBondContact O-N 3.38Å
123A98.8Very high98.7Very high26 Ų2649.5 Ų49.522%0.21524%0.24CC..Iπ-helixtrans-62-42.7-178.500000112.3S75 D119 V121 K127 G128S75-A123 WeakPolarHBondContact CB-O 3.36Å; D119-A123 WeakPolarHBondContact O-CB 3.4Å; D119-A123 PolarHBondContact O-N 3Å; V121-A123 PolarHBondContact O-N 3.13Å; A123-K127 WeakPolarHBondContact O-CB 3.36Å; A123-G128 PolarHBondContact O-N 3.38Å
124V98.7Very high98.7Very high22 Ų2251.9 Ų51.913%0.13325%0.251CS..Iπ-helixtrans-79.2-55.4178.8176.40000111V74 I104 R120 I122 G128V74-V124 HydrophobicContact CG2-CG1 4.37Å; I104-V124 HydrophobicContact CD1-CB 4.22Å; I104-V124 HydrophobicContact CD1-CG2 3.97Å; I104-V124 HydrophobicContact CG1-CB 4.04Å; I104-V124 HydrophobicContact CG1-CG1 4.24Å; I104-V124 HydrophobicContact CG1-CG2 4.3Å; I104-V124 HydrophobicContact CG2-CG1 4.38Å; R120-V124 WeakPolarHBondContact O-CG2 3.3Å; R120-V124 PolarHBondContact O-N 3.02Å; R120-V124 VanDerWaalsContact O-N 3.16Å; I122-V124 PolarHBondContact O-N 3.42Å; V124-G128 WeakPolarHBondContact O-CA 3.15Å; V124-G128 PolarHBondContact O-N 3.3Å
125N98.8Very high98.7Very high0 Ų050.1 Ų50.10%024%0.24CC..Iπ-helixtrans-76.3-38.1-165.1-64.17000112.8G103 I104 V121 T129 Y167 S170 V174G103-N125 WeakPolarHBondContact CA-OD1 3.4Å; I104-N125 PolarHBondContact N-OD1 3.48Å; I104-N125 PolarHBondContact O-ND2 3.47Å; I104-N125 PolarHBondContact O-OD1 3.3Å; V121-N125 WeakPolarHBondContact O-CB 3.26Å; V121-N125 PolarHBondContact O-N 2.81Å; N125-T129 WeakPolarHBondContact O-CB 3.26Å; N125-T129 PolarHBondContact O-OG1 2.97Å; N125-Y167 VanDerWaalsContact ND2-CD2 3.28Å; N125-Y167 WeakPolarHBondContact ND2-CD2 3.38Å; N125-S170 VanDerWaalsContact CB-OG 3.28Å; N125-S170 WeakPolarHBondContact CB-OG 3.45Å; N125-S170 PolarHBondContact ND2-OG 2.95Å; N125-S170 VanDerWaalsContact ND2-OG 3.16Å; N125-V174 WeakPolarHBondContact O-CG2 3.19Å
126L98.9Very high98.7Very high44 Ų4442.3 Ų42.323%0.2320%0.203CC..Iπ-helixtrans-102.9-59.5-176179.556.1000111.5I122 G128 T129 F130 V174I122-L126 PolarHBondContact O-N 2.8Å; I122-L126 VanDerWaalsContact O-N 3.08Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.33Å; L126-T129 PolarHBondContact O-N 3.31Å; L126-F130 PolarHBondContact O-N 3.42Å; L126-V174 HydrophobicContact CD1-CG2 4.06Å
127K98.9Very high98.7Very high97 Ų9737.1 Ų37.142%0.42218%0.18SC..Iπ-helixtrans-61.7-42.5-180176.1-173.1174.9-169.70110.9S75 I122 A123 T129 F130 L131S75-K127 WeakPolarHBondContact O-CE 3.5Å; S75-K127 PolarHBondContact O-NZ 3.14Å; I122-K127 PolarHBondContact O-N 3.38Å; A123-K127 WeakPolarHBondContact O-CB 3.36Å; K127-T129 PolarHBondContact O-N 3.34Å; K127-F130 WeakPolarHBondContact O-CB 3.42Å; K127-F130 PolarHBondContact O-N 2.87Å; K127-L131 HydrophobicContact CG-CD1 3.93Å; K127-L131 HydrophobicContact CG-CG 4.26Å; K127-L131 VanDerWaalsContact O-CG 3.26Å; K127-L131 WeakPolarHBondContact O-CG 3.38Å; K127-L131 PolarHBondContact O-N 3.13Å
128G98.8Very high98.7Very high1 Ų139.8 Ų39.81%0.0119%0.192CC..Iπ-helixtrans-60.7-45176.500000113.2V74 A123 V124 L126 F130 L131 V132V74-G128 WeakPolarHBondContact O-CA 3.27Å; A123-G128 PolarHBondContact O-N 3.38Å; V124-G128 WeakPolarHBondContact O-CA 3.15Å; V124-G128 PolarHBondContact O-N 3.3Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.33Å; G128-F130 VanDerWaalsContact C-N 3.33Å; G128-F130 PolarHBondContact O-N 2.95Å; G128-L131 PolarHBondContact O-N 3.49Å; G128-V132 WeakPolarHBondContact O-CG2 3.41Å; G128-V132 PolarHBondContact O-N 2.91Å
129T98.9Very high98.7Very high5 Ų536.1 Ų36.13%0.03118%0.18CC..Hα-helixtrans-58.9-43.5173.2-600000112N125 L126 K127 T133 N151 V174 L177N125-T129 WeakPolarHBondContact O-CB 3.26Å; N125-T129 PolarHBondContact O-OG1 2.97Å; L126-T129 PolarHBondContact O-N 3.31Å; K127-T129 PolarHBondContact O-N 3.34Å; T129-T133 WeakPolarHBondContact O-CB 3.33Å; T129-T133 PolarHBondContact O-N 3.27Å; T129-T133 PolarHBondContact O-OG1 2.94Å; T129-N151 HydrophobicContact CG2-CB 3.94Å; T129-N151 WeakPolarHBondContact CG2-OD1 3.41Å; T129-V174 HydrophobicContact CG2-CG1 4.18Å; T129-V174 HydrophobicContact CG2-CG2 4.16Å; T129-L177 HydrophobicContact CG2-CD2 3.81Å
130F98.9Very high98.6Very high85 Ų8531.4 Ų31.437%0.37316%0.155SC..Hα-helixtrans-59.7-49.2174.7159.3-103.1000112.1L126 K127 G128 V132 T133 Q134 L177L126-F130 PolarHBondContact O-N 3.42Å; K127-F130 WeakPolarHBondContact O-CB 3.42Å; K127-F130 PolarHBondContact O-N 2.87Å; G128-F130 VanDerWaalsContact C-N 3.33Å; G128-F130 PolarHBondContact O-N 2.95Å; F130-V132 PolarHBondContact O-N 3.25Å; F130-T133 PolarHBondContact O-N 3.07Å; F130-Q134 HydrophobicContact CE2-CB 4.43Å; F130-Q134 WeakPolarHBondContact O-CB 3.38Å; F130-Q134 PolarHBondContact O-N 3.03Å; F130-L177 HydrophobicContact CB-CD1 4.31Å; F130-L177 HydrophobicContact CB-CD2 3.96Å; F130-L177 HydrophobicContact CD2-CD1 4.05Å
131L98.9Very high98.6Very high17 Ų1729.3 Ų29.39%0.08915%0.153CC..Hα-helixtrans-62.9-43.9-177.1-70.9170000111.9V74 A77 A80 K127 G128 A135V74-L131 WeakPolarHBondContact O-CD1 3.32Å; A77-L131 HydrophobicContact CB-CD1 4.15Å; A77-L131 HydrophobicContact CB-CD2 3.74Å; A80-L131 HydrophobicContact CB-CB 3.75Å; K127-L131 HydrophobicContact CG-CD1 3.93Å; K127-L131 HydrophobicContact CG-CG 4.26Å; K127-L131 VanDerWaalsContact O-CG 3.26Å; K127-L131 WeakPolarHBondContact O-CG 3.38Å; K127-L131 PolarHBondContact O-N 3.13Å; G128-L131 PolarHBondContact O-N 3.49Å; L131-A135 WeakPolarHBondContact O-CB 3.42Å; L131-A135 PolarHBondContact O-N 2.94Å
132V98.8Very high98.6Very high0 Ų034.3 Ų34.30%019%0.188CC..Hα-helixtrans-66-45.5176.71740000110.8T15 V74 A80 V98 G128 F130 Q134 A135 A136T15-V132 HydrophobicContact CG2-CG1 4.14Å; T15-V132 HydrophobicContact CG2-CG2 4.14Å; V74-V132 HydrophobicContact CB-CG2 4.21Å; V74-V132 HydrophobicContact CG1-CG2 3.95Å; A80-V132 HydrophobicContact CB-CG2 4.4Å; V98-V132 HydrophobicContact CG1-CG1 3.78Å; G128-V132 WeakPolarHBondContact O-CG2 3.41Å; G128-V132 PolarHBondContact O-N 2.91Å; F130-V132 PolarHBondContact O-N 3.25Å; V132-Q134 VanDerWaalsContact C-N 3.35Å; V132-Q134 PolarHBondContact O-N 3.34Å; V132-A135 PolarHBondContact O-N 3.42Å; V132-A136 VanDerWaalsContact O-CB 3.27Å; V132-A136 WeakPolarHBondContact O-CB 3.42Å; V132-A136 PolarHBondContact O-N 2.91Å
133T98.8Very high98.5Very high6 Ų635.2 Ų35.24%0.03720%0.198CC..Hα-helixtrans-58.2-46.5176.7-63.60000111.3T129 F130 A136 A137 I149 N151 A181T129-T133 WeakPolarHBondContact O-CB 3.33Å; T129-T133 PolarHBondContact O-N 3.27Å; T129-T133 PolarHBondContact O-OG1 2.94Å; F130-T133 PolarHBondContact O-N 3.07Å; T133-A136 PolarHBondContact O-N 3.46Å; T133-A137 VanDerWaalsContact O-CB 3.31Å; T133-A137 WeakPolarHBondContact O-CB 3.4Å; T133-A137 PolarHBondContact O-N 2.85Å; T133-I149 HydrophobicContact CG2-CD1 4.19Å; T133-I149 HydrophobicContact CG2-CG2 4.24Å; T133-N151 PolarHBondContact OG1-OD1 2.62Å; T133-A181 HydrophobicContact CG2-CB 4.39Å
134Q98.7Very high98.4Very high80 Ų8037.4 Ų37.437%0.37422%0.223SC..Hα-helixtrans-64.1-48179.9-177.8-178.969.800111.5F130 V132 A136 A137 Q138F130-Q134 HydrophobicContact CE2-CB 4.43Å; F130-Q134 WeakPolarHBondContact O-CB 3.38Å; F130-Q134 PolarHBondContact O-N 3.03Å; V132-Q134 VanDerWaalsContact C-N 3.35Å; V132-Q134 PolarHBondContact O-N 3.34Å; Q134-A136 VanDerWaalsContact C-N 3.34Å; Q134-A136 PolarHBondContact O-N 3.5Å; Q134-A137 PolarHBondContact O-N 3.31Å; Q134-Q138 WeakPolarHBondContact O-CB 3.23Å; Q134-Q138 VanDerWaalsContact O-CG 3.32Å; Q134-Q138 WeakPolarHBondContact O-CG 3.38Å; Q134-Q138 PolarHBondContact O-N 2.69Å
135A98.4Very high98.3Very high11 Ų1138.7 Ų38.79%0.09123%0.233CC..Hα-helixtrans-62.5-41.7179.600000111.6L84 L131 V132 A139L84-A135 HydrophobicContact CB-CB 4.34Å; L84-A135 HydrophobicContact CD2-CB 3.91Å; L84-A135 HydrophobicContact CG-CB 3.85Å; L131-A135 WeakPolarHBondContact O-CB 3.42Å; L131-A135 PolarHBondContact O-N 2.94Å; V132-A135 PolarHBondContact O-N 3.42Å; A135-A139 WeakPolarHBondContact O-CB 3.31Å; A135-A139 PolarHBondContact O-N 2.93Å
136A98.4Very high98.2Very high1 Ų147.8 Ų47.81%0.00827%0.267CS..Hα-helixtrans-63-45.817500000112.5V98 V132 T133 Q134 A139 L140 I149V98-A136 HydrophobicContact CB-CB 4.13Å; V98-A136 HydrophobicContact CG1-CB 4.09Å; V98-A136 HydrophobicContact CG2-CB 3.65Å; V132-A136 VanDerWaalsContact O-CB 3.27Å; V132-A136 WeakPolarHBondContact O-CB 3.42Å; V132-A136 PolarHBondContact O-N 2.91Å; T133-A136 PolarHBondContact O-N 3.46Å; Q134-A136 VanDerWaalsContact C-N 3.34Å; Q134-A136 PolarHBondContact O-N 3.5Å; A136-A139 WeakPolarHBondContact O-CB 3.48Å; A136-A139 PolarHBondContact O-N 3.42Å; A136-L140 WeakPolarHBondContact O-CB 3.14Å; A136-L140 WeakPolarHBondContact O-CG 3.4Å; A136-L140 PolarHBondContact O-N 3.15Å; A136-I149 HydrophobicContact CB-CD1 4.35Å
137A98.5Very high98.2Very high10 Ų1046.3 Ų46.38%0.08326%0.262CS..Hα-helixtrans-62.3-45.7177.900000111.8T133 Q134 A139 L140 V141 I149 L185T133-A137 VanDerWaalsContact O-CB 3.31Å; T133-A137 WeakPolarHBondContact O-CB 3.4Å; T133-A137 PolarHBondContact O-N 2.85Å; Q134-A137 PolarHBondContact O-N 3.31Å; A137-A139 VanDerWaalsContact C-N 3.32Å; A137-A139 PolarHBondContact O-N 3.3Å; A137-L140 PolarHBondContact O-N 3.15Å; A137-V141 WeakPolarHBondContact O-CB 3.34Å; A137-V141 VanDerWaalsContact O-CG2 3.26Å; A137-V141 WeakPolarHBondContact O-CG2 3.36Å; A137-V141 PolarHBondContact O-N 3.21Å; A137-I149 HydrophobicContact CB-CD1 4.42Å; A137-L185 HydrophobicContact CB-CD1 3.77Å; A137-L185 HydrophobicContact CB-CD2 3.72Å; A137-L185 HydrophobicContact CB-CG 4.42Å
138Q98.1Very high98.2Very high102 Ų10241.9 Ų41.948%0.47724%0.243SC..Hα-helixtrans-58.4-45.1176.2-74.6173.9-5.300111.4Q134 S142Q134-Q138 WeakPolarHBondContact O-CB 3.23Å; Q134-Q138 VanDerWaalsContact O-CG 3.32Å; Q134-Q138 WeakPolarHBondContact O-CG 3.38Å; Q134-Q138 PolarHBondContact O-N 2.69Å; Q138-S142 VanDerWaalsContact O-CB 3.23Å; Q138-S142 WeakPolarHBondContact O-CB 3.23Å; Q138-S142 PolarHBondContact O-N 3.09Å; Q138-S142 PolarHBondContact O-OG 3.41Å
139A97.7Very high98.2Very high10 Ų1041.8 Ų41.88%0.08324%0.243CC..Hα-helixtrans-59.5-49.3177.100000113.1P94 A135 A136 A137 S143P94-A139 HydrophobicContact CB-CB 4.21Å; A135-A139 WeakPolarHBondContact O-CB 3.31Å; A135-A139 PolarHBondContact O-N 2.93Å; A136-A139 WeakPolarHBondContact O-CB 3.48Å; A136-A139 PolarHBondContact O-N 3.42Å; A137-A139 VanDerWaalsContact C-N 3.32Å; A137-A139 PolarHBondContact O-N 3.3Å; A139-S143 WeakPolarHBondContact O-CB 3.3Å; A139-S143 PolarHBondContact O-N 3.14Å; A139-S143 VanDerWaalsContact O-N 3.09Å; A139-S143 PolarHBondContact O-OG 3.31Å
140L98.3Very high98.2Very high1 Ų141.6 Ų41.61%0.00524%0.241CC..Hα-helixtrans-63.9-48.1-179.9-74.5170.9000111.6P94 P95 A136 A137 S143 G144 C145 I190P94-L140 HydrophobicContact CB-CD2 4.46Å; P94-L140 HydrophobicContact CG-CD2 4.46Å; P95-L140 WeakPolarHBondContact O-CD2 3.32Å; A136-L140 WeakPolarHBondContact O-CB 3.14Å; A136-L140 WeakPolarHBondContact O-CG 3.4Å; A136-L140 PolarHBondContact O-N 3.15Å; A137-L140 PolarHBondContact O-N 3.15Å; L140-S143 CarbonylContact O-C 3.52Å; L140-S143 PolarHBondContact O-N 3.35Å; L140-G144 PolarHBondContact O-N 2.84Å; L140-G144 VanDerWaalsContact O-N 3.12Å; L140-C145 HydrophobicContact CD2-CB 3.84Å; L140-C145 PolarHBondContact O-N 2.86Å; L140-I190 HydrophobicContact CB-CD1 3.59Å; L140-I190 HydrophobicContact CB-CG1 4.26Å; L140-I190 HydrophobicContact CD1-CD1 4.08Å; L140-I190 HydrophobicContact CD1-CG1 4.17Å; L140-I190 HydrophobicContact CD1-CG2 4.27Å; L140-I190 HydrophobicContact CG-CD1 4.5Å
141V98.4Very high98.2Very high58 Ų5837.5 Ų37.535%0.35222%0.223SC..Hα-helixtrans-61.9-46.8178.8173.10000111.2A137 S143 G144 H188 I190A137-V141 WeakPolarHBondContact O-CB 3.34Å; A137-V141 VanDerWaalsContact O-CG2 3.26Å; A137-V141 WeakPolarHBondContact O-CG2 3.36Å; A137-V141 PolarHBondContact O-N 3.21Å; V141-S143 PolarHBondContact O-N 3.25Å; V141-G144 PolarHBondContact O-N 2.77Å; V141-G144 VanDerWaalsContact O-N 3.08Å; V141-H188 HydrophobicContact CG2-CB 3.92Å; V141-I190 HydrophobicContact CG2-CD1 3.81Å
142S97.7Very high98.2Very high105 Ų10537 Ų3773%0.73422%0.221SC*.Hα-helixtrans-64-28.9-179.7-55.70000112.4Q138Q138-S142 VanDerWaalsContact O-CB 3.23Å; Q138-S142 WeakPolarHBondContact O-CB 3.23Å; Q138-S142 PolarHBondContact O-N 3.09Å; Q138-S142 PolarHBondContact O-OG 3.41Å
143S96.6Very high98.2Very high58 Ų5837.2 Ų37.241%0.40622%0.222SC..THydrogen-bonded Turntrans-91.32.4178.2-50.90000113.4A139 L140 V141 C145A139-S143 WeakPolarHBondContact O-CB 3.3Å; A139-S143 PolarHBondContact O-N 3.14Å; A139-S143 VanDerWaalsContact O-N 3.09Å; A139-S143 PolarHBondContact O-OG 3.31Å; L140-S143 CarbonylContact O-C 3.52Å; L140-S143 PolarHBondContact O-N 3.35Å; V141-S143 PolarHBondContact O-N 3.25Å; S143-C145 PolarHBondContact O-N 2.94Å; S143-C145 VanDerWaalsContact O-N 3.16Å; S143-C145 PolarHBondContact O-SG 2.78Å; S143-C145 VanDerWaalsContact O-SG 3.36Å
144G96.9Very high98.1Very high73 Ų7337.3 Ų37.375%0.75322%0.223SC*.THydrogen-bonded Turntrans60.821-174.700000114L140 V141L140-G144 PolarHBondContact O-N 2.84Å; L140-G144 VanDerWaalsContact O-N 3.12Å; V141-G144 PolarHBondContact O-N 2.77Å; V141-G144 VanDerWaalsContact O-N 3.08Å
145C96.8Very high98.1Very high49 Ų4933.6 Ų33.633%0.33121%0.206SC..  trans-96.3144.7-174.3-70.90000111.3P94 L140 S143P94-C145 HydrophobicContact CG-CB 4.41Å; L140-C145 HydrophobicContact CD2-CB 3.84Å; L140-C145 PolarHBondContact O-N 2.86Å; S143-C145 PolarHBondContact O-N 2.94Å; S143-C145 VanDerWaalsContact O-N 3.16Å; S143-C145 PolarHBondContact O-SG 2.78Å; S143-C145 VanDerWaalsContact O-SG 3.36Å
146R97.4Very high98Very high191 Ų19133.5 Ų33.572%0.72120%0.204SC*.  trans-82.6162.1169.5-59177.875.4145.80.2109.7G189R146-G189 WeakPolarHBondContact CB-O 3.44Å
147G98.1Very high98Very high12 Ų1234 Ų3412%0.12421%0.209CC..EExtended strand (participates in β ladder)trans-168177.2176.800000115.3S96 I190 R191S96-G147 CarbonylContact O-C 3.48Å; S96-G147 WeakPolarHBondContact O-CA 3.36Å; G147-I190 WeakPolarHBondContact O-CA 3.47Å; G147-R191 PolarHBondContact O-N 2.94Å
148S98.8Very high97.9Very high4 Ų438.9 Ų38.93%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-128.2120.1174.3-168.10000109.8S96 V97 V98 I150 R191 L238S96-S148 PolarHBondContact O-N 2.79Å; V97-S148 CarbonylContact C-O 3.59Å; V97-S148 VanDerWaalsContact CA-O 3.31Å; V97-S148 WeakPolarHBondContact CA-O 3.24Å; V98-S148 PolarHBondContact N-O 3.09Å; S148-I150 WeakPolarHBondContact OG-CD1 3.26Å; S148-R191 PolarHBondContact OG-NH2 3.4Å; S148-L238 PolarHBondContact OG-O 3.47Å
149I98.9Very high97.8Very high0 Ų037.1 Ų37.10%022%0.224CC..EExtended strand (participates in β ladder)trans-103.2127.6173.3-58.1177.2000107.7V98 T133 A136 A137 L185 I190 R191 C192 N193V98-I149 CarbonylContact O-C 3.58Å; V98-I149 WeakPolarHBondContact O-CA 3.44Å; T133-I149 HydrophobicContact CG2-CD1 4.19Å; T133-I149 HydrophobicContact CG2-CG2 4.24Å; A136-I149 HydrophobicContact CB-CD1 4.35Å; A137-I149 HydrophobicContact CB-CD1 4.42Å; I149-L185 HydrophobicContact CD1-CD1 4.09Å; I149-I190 HydrophobicContact CD1-CG2 4.03Å; I149-I190 HydrophobicContact CG1-CG2 4.18Å; I149-R191 PolarHBondContact N-O 2.86Å; I149-C192 HydrophobicContact CB-CB 4.42Å; I149-C192 CarbonylContact O-C 3.52Å; I149-C192 VanDerWaalsContact O-CA 3.29Å; I149-C192 WeakPolarHBondContact O-CA 3.34Å; I149-N193 PolarHBondContact O-N 3.18Å
150I98.9Very high97.8Very high0 Ų038 Ų380%024%0.235CC..EExtended strand (participates in β ladder)trans-124.9118179.8-53.991.7000108.8V97 V98 V99 S100 S148 I152 N193 V195 V235 L238 A239V97-I150 HydrophobicContact CG1-CD1 4.06Å; V98-I150 PolarHBondContact O-N 3.49Å; V99-I150 CarbonylContact C-O 3.47Å; V99-I150 VanDerWaalsContact CA-O 3.25Å; V99-I150 WeakPolarHBondContact CA-O 3.21Å; V99-I150 HydrophobicContact CG2-CB 4.4Å; V99-I150 HydrophobicContact CG2-CD1 4.29Å; S100-I150 PolarHBondContact N-O 2.89Å; S148-I150 WeakPolarHBondContact OG-CD1 3.26Å; I150-I152 HydrophobicContact CG2-CD1 4.32Å; I150-N193 CarbonylContact C-O 3.49Å; I150-N193 WeakPolarHBondContact CA-O 3.42Å; I150-V195 HydrophobicContact CG2-CG2 3.87Å; I150-V235 HydrophobicContact CG2-CG1 4.46Å; I150-V235 HydrophobicContact CG2-CG2 4.18Å; I150-L238 HydrophobicContact CG1-CB 3.92Å; I150-L238 HydrophobicContact CG2-CD1 4.26Å; I150-A239 HydrophobicContact CD1-CB 4.31Å
151N98.9Very high97.6Very high0 Ų041.6 Ų41.60%025%0.254CS..EExtended strand (participates in β ladder)trans-103.8123178.9-65.3-37.7000110.4S100 T129 T133 S153 V174 T178 N193 S194 V195S100-N151 WeakPolarHBondContact CB-OD1 3.37Å; S100-N151 PolarHBondContact OG-OD1 2.87Å; T129-N151 HydrophobicContact CG2-CB 3.94Å; T129-N151 WeakPolarHBondContact CG2-OD1 3.41Å; T133-N151 PolarHBondContact OG1-OD1 2.62Å; N151-S153 PolarHBondContact O-N 3.45Å; N151-V174 HydrophobicContact CB-CG1 3.66Å; N151-T178 PolarHBondContact ND2-OG1 3.21Å; N151-T178 VanDerWaalsContact ND2-OG1 3.08Å; N151-N193 PolarHBondContact N-O 3.1Å; N151-S194 WeakPolarHBondContact O-CA 3.37Å; N151-S194 WeakPolarHBondContact O-CB 3.42Å; N151-V195 PolarHBondContact O-N 2.91Å
152I98.9Very high97.5Very high7 Ų745.4 Ų45.44%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-82.1105.6177.7-51.6-55000108.8I25 V99 S100 C101 I150 K171 V195 P197 V235I25-I152 HydrophobicContact CD1-CD1 4.06Å; I25-I152 HydrophobicContact CD1-CG1 4.26Å; V99-I152 HydrophobicContact CG1-CD1 4.1Å; V99-I152 HydrophobicContact CG1-CG1 4.02Å; S100-I152 WeakPolarHBondContact O-CB 3.27Å; S100-I152 PolarHBondContact O-N 3.44Å; C101-I152 HydrophobicContact CB-CB 4.32Å; C101-I152 HydrophobicContact CB-CG1 3.73Å; I150-I152 HydrophobicContact CG2-CD1 4.32Å; I152-K171 PolarHBondContact O-NZ 2.96Å; I152-V195 HydrophobicContact CD1-CB 4.02Å; I152-V195 HydrophobicContact CD1-CG2 4.48Å; I152-P197 HydrophobicContact CG2-CG 3.95Å; I152-V235 HydrophobicContact CD1-CG2 3.72Å
153S98.6Very high97.4Very high3 Ų341 Ų412%0.02124%0.242CC..  trans-89.9-135.7172.6-172.50000110.1N151 K171 V195N151-S153 PolarHBondContact O-N 3.45Å; S153-K171 WeakPolarHBondContact OG-CB 3.41Å; S153-K171 PolarHBondContact OG-O 2.8Å; S153-V195 PolarHBondContact N-O 3.15Å
154S98.2Very high97.4Very high9 Ų939 Ų396%0.06323%0.226CC..  trans-167.1151.8174.1177.30000109I156 G157 L196S154-I156 PolarHBondContact O-N 3.06Å; S154-I156 VanDerWaalsContact O-N 3.15Å; S154-I156 PolarHBondContact OG-N 3.19Å; S154-G157 PolarHBondContact O-N 2.84Å; S154-L196 WeakPolarHBondContact O-CG 3.49Å
155I97.5Very high97.5Very high1 Ų137.6 Ų37.61%0.00520%0.203CC..THydrogen-bonded Turntrans-56-29.1169.6-165.857.6000111.8G157 K158 V159 P197 E252 T254 F258I155-G157 PolarHBondContact O-N 2.91Å; I155-K158 HydrophobicContact CD1-CB 4.39Å; I155-K158 HydrophobicContact CD1-CD 4.09Å; I155-K158 WeakPolarHBondContact O-CA 3.28Å; I155-K158 WeakPolarHBondContact O-CB 3.19Å; I155-K158 PolarHBondContact O-N 3.09Å; I155-V159 HydrophobicContact CG1-CG2 4.44Å; I155-V159 WeakPolarHBondContact O-CG2 3.15Å; I155-V159 PolarHBondContact O-N 3.15Å; I155-V159 VanDerWaalsContact O-N 3.13Å; I155-P197 PolarHBondContact N-O 3.43Å; I155-E252 HydrophobicContact CD1-CG 4.25Å; I155-T254 HydrophobicContact CB-CG2 3.88Å; I155-T254 HydrophobicContact CD1-CG2 3.98Å; I155-T254 HydrophobicContact CG1-CG2 3.9Å; I155-F258 HydrophobicContact CG1-CB 4.21Å; I155-F258 HydrophobicContact CG1-CD2 3.89Å; I155-F258 HydrophobicContact CG2-CD2 4.26Å
156I97.4Very high97.5Very high9 Ų935.3 Ų35.35%0.04619%0.188CC..Hα-helixtrans-62.6-24.6175.4-57.8-45.4000112.5S154 K158 V159 G160 N161 Q164 Y167 A168S154-I156 PolarHBondContact O-N 3.06Å; S154-I156 VanDerWaalsContact O-N 3.15Å; S154-I156 PolarHBondContact OG-N 3.19Å; I156-K158 PolarHBondContact O-N 2.76Å; I156-V159 HydrophobicContact CD1-CG2 4.42Å; I156-G160 VanDerWaalsContact O-CA 3.29Å; I156-G160 WeakPolarHBondContact O-CA 3.19Å; I156-G160 PolarHBondContact O-N 2.88Å; I156-N161 HydrophobicContact CD1-CB 3.9Å; I156-N161 HydrophobicContact CG1-CB 4.38Å; I156-N161 HydrophobicContact CG2-CB 3.81Å; I156-Q164 HydrophobicContact CG2-CB 4.46Å; I156-Y167 HydrophobicContact CB-CD1 4.27Å; I156-Y167 HydrophobicContact CB-CE1 4.19Å; I156-Y167 HydrophobicContact CG2-CD1 3.99Å; I156-Y167 HydrophobicContact CG2-CE1 4.41Å; I156-A168 HydrophobicContact CG2-CB 3.84Å
157G97.3Very high97.6Very high12 Ų1227.5 Ų27.512%0.12416%0.158CC..Hα-helixtrans-67.8-18.617100000113.9S154 I155 A172S154-G157 PolarHBondContact O-N 2.84Å; I155-G157 PolarHBondContact O-N 2.91Å; G157-A172 VanDerWaalsContact O-CB 3.25Å; G157-A172 WeakPolarHBondContact O-CB 3.45Å
158K96.9Very high97.6Very high112 Ų11227.6 Ų27.649%0.48716%0.158SC..Hα-helixtrans-97.2-40.5177.9-175.4-175.2176.2-168.40112I155 I156 L196 E252I155-K158 HydrophobicContact CD1-CB 4.39Å; I155-K158 HydrophobicContact CD1-CD 4.09Å; I155-K158 WeakPolarHBondContact O-CA 3.28Å; I155-K158 WeakPolarHBondContact O-CB 3.19Å; I155-K158 PolarHBondContact O-N 3.09Å; I156-K158 PolarHBondContact O-N 2.76Å; K158-L196 HydrophobicContact CB-CD2 4.39Å; K158-E252 VanDerWaalsContact CD-OE1 3.27Å; K158-E252 WeakPolarHBondContact CD-OE1 3.36Å; K158-E252 WeakPolarHBondContact CE-OE1 3.19Å; K158-E252 IonicContact NZ-OE1 2.67Å; K158-E252 PolarHBondContact NZ-OE1 2.65Å; K158-E252 IonicContact NZ-OE2 3.21Å
159V96.5Very high97.6Very high65 Ų6529.7 Ų29.739%0.39417%0.173SC..Hα-helixtrans-111.7-10.3-169.5-57.20000114.8I155 I156 F258I155-V159 HydrophobicContact CG1-CG2 4.44Å; I155-V159 WeakPolarHBondContact O-CG2 3.15Å; I155-V159 PolarHBondContact O-N 3.15Å; I155-V159 VanDerWaalsContact O-N 3.13Å; I156-V159 HydrophobicContact CD1-CG2 4.42Å; V159-F258 HydrophobicContact CG1-CB 3.95Å; V159-F258 HydrophobicContact CG1-CG 4.32Å; V159-F258 HydrophobicContact CG2-CB 4.46Å; V159-F258 HydrophobicContact CG2-CD2 3.68Å; V159-F258 HydrophobicContact CG2-CE2 3.97Å; V159-F258 HydrophobicContact CG2-CG 4.01Å
160G96.4Very high97.6Very high29 Ų2929.7 Ų29.730%0.29917%0.173SC..  trans69.6174.6-171.500000113I156I156-G160 VanDerWaalsContact O-CA 3.29Å; I156-G160 WeakPolarHBondContact O-CA 3.19Å; I156-G160 PolarHBondContact O-N 2.88Å
161N95.6Very high97.6Very high76 Ų7630 Ų3041%0.40617%0.174SC..  trans-157.6148.4171.2-168.121.6000109.6I156 G163 Q164I156-N161 HydrophobicContact CD1-CB 3.9Å; I156-N161 HydrophobicContact CG1-CB 4.38Å; I156-N161 HydrophobicContact CG2-CB 3.81Å; N161-G163 PolarHBondContact O-N 3.39Å; N161-Q164 HydrophobicContact CB-CB 4.05Å; N161-Q164 HydrophobicContact CB-CG 4.08Å; N161-Q164 PolarHBondContact ND2-OE1 2.96Å; N161-Q164 PolarHBondContact O-N 3.15Å; N161-Q164 VanDerWaalsContact O-N 3.14Å
162I95Very high97.6Very high138 Ų13832 Ų3271%0.70819%0.191SC*.THydrogen-bonded Turntrans-61.5132.4177.7-64.8176.7000108.9F109 Q164F109-I162 HydrophobicContact CD1-CG2 4.2Å; F109-I162 HydrophobicContact CE1-CG2 3.47Å; F109-I162 VanDerWaalsContact CE1-CG2 3.47Å; F109-I162 HydrophobicContact CZ-CG2 4.09Å; I162-Q164 VanDerWaalsContact C-N 3.29Å; I162-Q164 PolarHBondContact O-N 2.85Å
163G95.3Very high97.6Very high13 Ų1332.9 Ų32.913%0.13420%0.202CC..THydrogen-bonded Turntrans804.3-179.700000114.8D107 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 3.01Å; E108-G163 CarbonylContact O-C 3.26Å; E108-G163 VanDerWaalsContact O-C 3.26Å; E108-G163 VanDerWaalsContact O-CA 3.23Å; E108-G163 WeakPolarHBondContact O-CA 3.34Å; N161-G163 PolarHBondContact O-N 3.39Å
164Q97.1Very high97.6Very high15 Ų1532.8 Ų32.87%0.0720%0.201CC..BIsolated β-bridgetrans-121.533.8-172.4-61.2-153.6-70.300113.4D107 I156 N161 I162 N166 Y167 A168D107-Q164 PolarHBondContact OD1-NE2 2.96Å; D107-Q164 PolarHBondContact OD2-NE2 3.36Å; I156-Q164 HydrophobicContact CG2-CB 4.46Å; N161-Q164 HydrophobicContact CB-CB 4.05Å; N161-Q164 HydrophobicContact CB-CG 4.08Å; N161-Q164 PolarHBondContact ND2-OE1 2.96Å; N161-Q164 PolarHBondContact O-N 3.15Å; N161-Q164 VanDerWaalsContact O-N 3.14Å; I162-Q164 VanDerWaalsContact C-N 3.29Å; I162-Q164 PolarHBondContact O-N 2.85Å; Q164-N166 VanDerWaalsContact C-N 3.31Å; Q164-N166 PolarHBondContact O-N 3.23Å; Q164-Y167 PolarHBondContact O-N 2.93Å; Q164-A168 WeakPolarHBondContact O-CB 3.27Å; Q164-A168 PolarHBondContact O-N 3.36Å
165T98.2Very high97.6Very high45 Ų4533.5 Ų33.528%0.27620%0.204SC..Hα-helixtrans-55.1-45.5-178.2-48.10000112L110 W118 S169L110-T165 HydrophobicContact CD1-CG2 3.91Å; W118-T165 HydrophobicContact CZ3-CG2 3.82Å; T165-S169 WeakPolarHBondContact O-CB 3.45Å; T165-S169 PolarHBondContact O-N 2.95Å; T165-S169 VanDerWaalsContact O-N 3.08Å; T165-S169 PolarHBondContact O-OG 3.16Å
166N98.4Very high97.7Very high0 Ų035 Ų350%022%0.219CC..Hα-helixtrans-63.1-50.2175.452.74.8000112.4R106 M113 W118 V121 Q164 S169 S170R106-N166 PolarHBondContact O-ND2 3.15Å; M113-N166 HydrophobicContact SD-CB 3.66Å; M113-N166 VanDerWaalsContact SD-CG 3.54Å; W118-N166 HydrophobicContact CD2-CB 4.3Å; W118-N166 HydrophobicContact CE3-CB 3.67Å; W118-N166 HydrophobicContact CZ3-CB 4.19Å; V121-N166 HydrophobicContact CB-CB 4.02Å; V121-N166 HydrophobicContact CG1-CB 3.99Å; V121-N166 HydrophobicContact CG2-CB 4.44Å; Q164-N166 VanDerWaalsContact C-N 3.31Å; Q164-N166 PolarHBondContact O-N 3.23Å; N166-S169 PolarHBondContact O-N 3.32Å; N166-S170 WeakPolarHBondContact O-CB 3.37Å; N166-S170 PolarHBondContact O-N 3.49Å
167Y98.3Very high97.8Very high27 Ų2736.2 Ų36.211%0.10623%0.226CC..Hα-helixtrans-66.7-49.2-176.7-176.3-101.8000111.7I104 T105 N125 I156 Q164 S169 S170 K171I104-Y167 WeakPolarHBondContact O-CD2 3.44Å; T105-Y167 HydrophobicContact CG2-CD2 3.65Å; T105-Y167 HydrophobicContact CG2-CE2 3.79Å; T105-Y167 HydrophobicContact CG2-CG 4.09Å; N125-Y167 VanDerWaalsContact ND2-CD2 3.28Å; N125-Y167 WeakPolarHBondContact ND2-CD2 3.38Å; I156-Y167 HydrophobicContact CB-CD1 4.27Å; I156-Y167 HydrophobicContact CB-CE1 4.19Å; I156-Y167 HydrophobicContact CG2-CD1 3.99Å; I156-Y167 HydrophobicContact CG2-CE1 4.41Å; Q164-Y167 PolarHBondContact O-N 2.93Å; Y167-S169 VanDerWaalsContact C-N 3.34Å; Y167-S169 PolarHBondContact O-N 3.08Å; Y167-S170 PolarHBondContact O-N 2.89Å; Y167-S170 VanDerWaalsContact O-N 3.17Å; Y167-S170 PolarHBondContact O-OG 3.2Å; Y167-K171 HydrophobicContact CD1-CG 4.22Å; Y167-K171 HydrophobicContact CD2-CG 4.34Å; Y167-K171 HydrophobicContact CE1-CG 3.86Å; Y167-K171 HydrophobicContact CE2-CD 4.32Å; Y167-K171 HydrophobicContact CE2-CG 4Å; Y167-K171 HydrophobicContact CG-CG 4.44Å; Y167-K171 WeakPolarHBondContact O-CG 3.37Å; Y167-K171 PolarHBondContact O-N 3.27Å; Y167-K171 VanDerWaalsContact OH-CE 3.31Å; Y167-K171 WeakPolarHBondContact OH-CE 3.35Å
168A98.5Very high97.8Very high14 Ų1435.6 Ų35.612%0.11622%0.22CC..Hα-helixtrans-56.2-47.8175.200000111.3I156 Q164 S170 K171 A172I156-A168 HydrophobicContact CG2-CB 3.84Å; Q164-A168 WeakPolarHBondContact O-CB 3.27Å; Q164-A168 PolarHBondContact O-N 3.36Å; A168-S170 VanDerWaalsContact C-N 3.34Å; A168-S170 PolarHBondContact O-N 2.75Å; A168-K171 PolarHBondContact O-N 3.43Å; A168-A172 VanDerWaalsContact O-CB 3.3Å; A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.4Å
169S98.8Very high97.9Very high49 Ų4934.4 Ų34.434%0.34322%0.216SC..Hα-helixtrans-60-43.9176.6-600000111.7T165 N166 Y167 K171 G173T165-S169 WeakPolarHBondContact O-CB 3.45Å; T165-S169 PolarHBondContact O-N 2.95Å; T165-S169 VanDerWaalsContact O-N 3.08Å; T165-S169 PolarHBondContact O-OG 3.16Å; N166-S169 PolarHBondContact O-N 3.32Å; Y167-S169 VanDerWaalsContact C-N 3.34Å; Y167-S169 PolarHBondContact O-N 3.08Å; S169-K171 PolarHBondContact O-N 3.02Å; S169-G173 PolarHBondContact O-N 3.47Å
170S98.8Very high98Very high0 Ų034.8 Ų34.80%022%0.218CC..Hα-helixtrans-62.4-43.4178.479.50000112.4N125 N166 Y167 A168 G173 V174N125-S170 VanDerWaalsContact CB-OG 3.28Å; N125-S170 WeakPolarHBondContact CB-OG 3.45Å; N125-S170 PolarHBondContact ND2-OG 2.95Å; N125-S170 VanDerWaalsContact ND2-OG 3.16Å; N166-S170 WeakPolarHBondContact O-CB 3.37Å; N166-S170 PolarHBondContact O-N 3.49Å; Y167-S170 PolarHBondContact O-N 2.89Å; Y167-S170 VanDerWaalsContact O-N 3.17Å; Y167-S170 PolarHBondContact O-OG 3.2Å; A168-S170 VanDerWaalsContact C-N 3.34Å; A168-S170 PolarHBondContact O-N 2.75Å; S170-G173 PolarHBondContact O-N 3.01Å; S170-V174 WeakPolarHBondContact O-CG2 3.41Å; S170-V174 PolarHBondContact O-N 2.92Å
171K98.6Very high98.2Very high6 Ų633.9 Ų33.93%0.02621%0.208CC..Hα-helixtrans-75.8-34.8-177.2-66.3-54.7-165174.30111.9I152 S153 Y167 A168 S169 G173 V174 I175I152-K171 PolarHBondContact O-NZ 2.96Å; S153-K171 WeakPolarHBondContact OG-CB 3.41Å; S153-K171 PolarHBondContact OG-O 2.8Å; Y167-K171 HydrophobicContact CD1-CG 4.22Å; Y167-K171 HydrophobicContact CD2-CG 4.34Å; Y167-K171 HydrophobicContact CE1-CG 3.86Å; Y167-K171 HydrophobicContact CE2-CD 4.32Å; Y167-K171 HydrophobicContact CE2-CG 4Å; Y167-K171 HydrophobicContact CG-CG 4.44Å; Y167-K171 WeakPolarHBondContact O-CG 3.37Å; Y167-K171 PolarHBondContact O-N 3.27Å; Y167-K171 VanDerWaalsContact OH-CE 3.31Å; Y167-K171 WeakPolarHBondContact OH-CE 3.35Å; A168-K171 PolarHBondContact O-N 3.43Å; S169-K171 PolarHBondContact O-N 3.02Å; K171-G173 VanDerWaalsContact C-N 3.34Å; K171-V174 PolarHBondContact O-N 2.84Å; K171-I175 PolarHBondContact O-N 2.66Å
172A98.8Very high98.3Very high43 Ų4330.6 Ų30.636%0.35519%0.191SC..Hα-helixtrans-59.7-45.7167.400000111.2G157 A168 V174 I175 G176G157-A172 VanDerWaalsContact O-CB 3.25Å; G157-A172 WeakPolarHBondContact O-CB 3.45Å; A168-A172 VanDerWaalsContact O-CB 3.3Å; A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.4Å; A172-V174 VanDerWaalsContact C-N 3.29Å; A172-V174 PolarHBondContact O-N 3.08Å; A172-I175 WeakPolarHBondContact O-CB 3.46Å; A172-I175 PolarHBondContact O-N 2.91Å; A172-I175 VanDerWaalsContact O-N 3.08Å; A172-G176 PolarHBondContact O-N 3.44Å
173G98.9Very high98.5Very high25 Ų2534.4 Ų34.426%0.25820%0.197SC..Hα-helixtrans-59-37.1175.700000113.2S169 S170 K171 I175 G176 L177S169-G173 PolarHBondContact O-N 3.47Å; S170-G173 PolarHBondContact O-N 3.01Å; K171-G173 VanDerWaalsContact C-N 3.34Å; G173-I175 VanDerWaalsContact C-N 3.3Å; G173-I175 PolarHBondContact O-N 2.97Å; G173-G176 PolarHBondContact O-N 3.21Å; G173-L177 WeakPolarHBondContact O-CB 3.29Å; G173-L177 PolarHBondContact O-N 3.2Å
174V98.9Very high98.6Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-63.8-34.6175.8169.60000111.9N125 L126 T129 N151 S170 K171 A172 T178N125-V174 WeakPolarHBondContact O-CG2 3.19Å; L126-V174 HydrophobicContact CD1-CG2 4.06Å; T129-V174 HydrophobicContact CG2-CG1 4.18Å; T129-V174 HydrophobicContact CG2-CG2 4.16Å; N151-V174 HydrophobicContact CB-CG1 3.66Å; S170-V174 WeakPolarHBondContact O-CG2 3.41Å; S170-V174 PolarHBondContact O-N 2.92Å; K171-V174 PolarHBondContact O-N 2.84Å; A172-V174 VanDerWaalsContact C-N 3.29Å; A172-V174 PolarHBondContact O-N 3.08Å; V174-T178 VanDerWaalsContact O-CB 3.32Å; V174-T178 WeakPolarHBondContact O-CB 3.2Å; V174-T178 PolarHBondContact O-N 3.25Å; V174-T178 PolarHBondContact O-OG1 3.48Å
175I98.9Very high98.7Very high24 Ų2439.9 Ų39.912%0.12322%0.22CC..Hα-helixtrans-65.5-49.2175.3-61.6165.6000109.7K171 A172 G173 L177 T178 Q179 L196K171-I175 PolarHBondContact O-N 2.66Å; A172-I175 WeakPolarHBondContact O-CB 3.46Å; A172-I175 PolarHBondContact O-N 2.91Å; A172-I175 VanDerWaalsContact O-N 3.08Å; G173-I175 VanDerWaalsContact C-N 3.3Å; G173-I175 PolarHBondContact O-N 2.97Å; I175-L177 PolarHBondContact O-N 3.18Å; I175-T178 WeakPolarHBondContact O-CB 3.22Å; I175-T178 PolarHBondContact O-N 2.98Å; I175-Q179 WeakPolarHBondContact O-CG 3.38Å; I175-Q179 PolarHBondContact O-N 2.94Å; I175-L196 HydrophobicContact CD1-CD1 4.36Å; I175-L196 HydrophobicContact CD1-CD2 3.77Å; I175-L196 HydrophobicContact CD1-CG 4.38Å; I175-L196 HydrophobicContact CG1-CD1 4.23Å
176G98.9Very high98.7Very high32 Ų3239.6 Ų39.633%0.3323%0.225SC..Hα-helixtrans-61.9-41.5177.600000113.4A172 G173 T178 T180A172-G176 PolarHBondContact O-N 3.44Å; G173-G176 PolarHBondContact O-N 3.21Å; G176-T178 PolarHBondContact O-N 3.36Å; G176-T180 WeakPolarHBondContact O-CB 3.21Å; G176-T180 PolarHBondContact O-N 2.98Å; G176-T180 PolarHBondContact O-OG1 3.27Å
177L98.9Very high98.7Very high35 Ų3549.8 Ų49.818%0.18326%0.264CS..Hα-helixtrans-57.2-48.6172.4169.865.5000111T129 F130 G173 I175 T180 A181T129-L177 HydrophobicContact CG2-CD2 3.81Å; F130-L177 HydrophobicContact CB-CD1 4.31Å; F130-L177 HydrophobicContact CB-CD2 3.96Å; F130-L177 HydrophobicContact CD2-CD1 4.05Å; G173-L177 WeakPolarHBondContact O-CB 3.29Å; G173-L177 PolarHBondContact O-N 3.2Å; I175-L177 PolarHBondContact O-N 3.18Å; L177-T180 PolarHBondContact O-N 3.48Å; L177-A181 VanDerWaalsContact O-CB 3.25Å; L177-A181 WeakPolarHBondContact O-CB 3.32Å; L177-A181 PolarHBondContact O-N 3.04Å
178T98.9Very high98.7Very high0 Ų051.8 Ų51.80%027%0.274CS..Hα-helixtrans-62.2-48.6-177.7-63.10000111.5N151 V174 I175 G176 T180 A181 A182 N193N151-T178 PolarHBondContact ND2-OG1 3.21Å; N151-T178 VanDerWaalsContact ND2-OG1 3.08Å; V174-T178 VanDerWaalsContact O-CB 3.32Å; V174-T178 WeakPolarHBondContact O-CB 3.2Å; V174-T178 PolarHBondContact O-N 3.25Å; V174-T178 PolarHBondContact O-OG1 3.48Å; I175-T178 WeakPolarHBondContact O-CB 3.22Å; I175-T178 PolarHBondContact O-N 2.98Å; G176-T178 PolarHBondContact O-N 3.36Å; T178-T180 VanDerWaalsContact C-N 3.34Å; T178-T180 PolarHBondContact O-N 3.34Å; T178-A181 PolarHBondContact O-N 3.38Å; T178-A182 WeakPolarHBondContact O-CB 3.47Å; T178-A182 PolarHBondContact O-N 3.31Å; T178-N193 VanDerWaalsContact CG2-CA 3.47Å
179Q98.9Very high98.7Very high86 Ų8652.1 Ų52.140%0.40228%0.278SS..Hα-helixtrans-63.7-40-179.5-70.7174.6-12.100112I175 R183I175-Q179 WeakPolarHBondContact O-CG 3.38Å; I175-Q179 PolarHBondContact O-N 2.94Å; Q179-R183 WeakPolarHBondContact O-CG 3.31Å; Q179-R183 PolarHBondContact O-N 3.06Å
180T98.9Very high98.7Very high73 Ų7349.8 Ų49.845%0.44826%0.262SS..Hα-helixtrans-66.6-49.8176-56.30000110.9G176 L177 T178 A182 R183 E184G176-T180 WeakPolarHBondContact O-CB 3.21Å; G176-T180 PolarHBondContact O-N 2.98Å; G176-T180 PolarHBondContact O-OG1 3.27Å; L177-T180 PolarHBondContact O-N 3.48Å; T178-T180 VanDerWaalsContact C-N 3.34Å; T178-T180 PolarHBondContact O-N 3.34Å; T180-A182 VanDerWaalsContact C-N 3.28Å; T180-A182 PolarHBondContact O-N 3.15Å; T180-R183 WeakPolarHBondContact O-CB 3.33Å; T180-R183 PolarHBondContact O-N 3.28Å; T180-R183 VanDerWaalsContact O-N 3.08Å; T180-E184 PolarHBondContact O-N 3.38Å
181A98.8Very high98.7Very high10 Ų1051.3 Ų51.38%0.08327%0.268CS..Hα-helixtrans-59-38.317800000112.2T133 L177 T178 R183 E184 L185 C192T133-A181 HydrophobicContact CG2-CB 4.39Å; L177-A181 VanDerWaalsContact O-CB 3.25Å; L177-A181 WeakPolarHBondContact O-CB 3.32Å; L177-A181 PolarHBondContact O-N 3.04Å; T178-A181 PolarHBondContact O-N 3.38Å; A181-R183 VanDerWaalsContact C-N 3.29Å; A181-R183 PolarHBondContact O-N 3.36Å; A181-E184 PolarHBondContact O-N 3.47Å; A181-L185 HydrophobicContact CB-CD1 4.23Å; A181-L185 WeakPolarHBondContact O-CB 3.27Å; A181-L185 WeakPolarHBondContact O-CG 3.39Å; A181-L185 PolarHBondContact O-N 3.37Å; A181-C192 HydrophobicContact CB-CB 4.33Å
182A98.8Very high98.7Very high7 Ų751 Ų516%0.05827%0.267CS..Hα-helixtrans-58.5-39.8176.100000112.9T178 T180 G186 C192 T247 G248T178-A182 WeakPolarHBondContact O-CB 3.47Å; T178-A182 PolarHBondContact O-N 3.31Å; T180-A182 VanDerWaalsContact C-N 3.28Å; T180-A182 PolarHBondContact O-N 3.15Å; A182-G186 PolarHBondContact O-N 3.35Å; A182-G186 VanDerWaalsContact O-N 3.11Å; A182-C192 HydrophobicContact CB-CB 4.12Å; A182-T247 WeakPolarHBondContact CB-OG1 3.39Å; A182-G248 VanDerWaalsContact CB-CA 3.45Å; A182-G248 VanDerWaalsContact CB-N 3.33Å
183R98.8Very high98.7Very high219 Ų21949 Ų4983%0.82625%0.25SC*.Hα-helixtrans-67.7-41.3177.9-67.1173.3-179.8-81.2-0.5111.7Q179 T180 A181Q179-R183 WeakPolarHBondContact O-CG 3.31Å; Q179-R183 PolarHBondContact O-N 3.06Å; T180-R183 WeakPolarHBondContact O-CB 3.33Å; T180-R183 PolarHBondContact O-N 3.28Å; T180-R183 VanDerWaalsContact O-N 3.08Å; A181-R183 VanDerWaalsContact C-N 3.29Å; A181-R183 PolarHBondContact O-N 3.36Å
184E98.6Very high98.7Very high124 Ų12447.8 Ų47.858%0.57924%0.238SC*.Hα-helixtrans-73.9-38.3-178.4-66.4179.1-169.300112.6T180 A181T180-E184 PolarHBondContact O-N 3.38Å; A181-E184 PolarHBondContact O-N 3.47Å
185L98.7Very high98.7Very high19 Ų1947.8 Ų47.810%0.09924%0.238CC..Hα-helixtrans-92.3-17-170.9-60.9178.6000113.8A137 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 4.09Å; A181-L185 HydrophobicContact CB-CD1 4.23Å; A181-L185 WeakPolarHBondContact O-CB 3.27Å; A181-L185 WeakPolarHBondContact O-CG 3.39Å; A181-L185 PolarHBondContact O-N 3.37Å; L185-R187 VanDerWaalsContact C-N 3.26Å; L185-R187 PolarHBondContact O-N 3.34Å; L185-H188 WeakPolarHBondContact O-CA 3.49Å; L185-H188 WeakPolarHBondContact O-CB 3.36Å; L185-H188 PolarHBondContact O-N 2.89Å; L185-I190 CarbonylContact C-O 3.57Å; L185-I190 HydrophobicContact CB-CB 4.02Å; L185-I190 HydrophobicContact CB-CG2 4.21Å; L185-I190 HydrophobicContact CD1-CG2 4.18Å; L185-I190 PolarHBondContact O-N 2.93Å
186G98.4Very high98.7Very high38 Ų3846.6 Ų46.639%0.39223%0.232SC..G310 helixtrans-55.7-38-178.800000113.7A182 H188 G189A182-G186 PolarHBondContact O-N 3.35Å; A182-G186 VanDerWaalsContact O-N 3.11Å; G186-H188 PolarHBondContact O-N 2.82Å; G186-H188 VanDerWaalsContact O-N 3.15Å; G186-G189 PolarHBondContact O-N 3.32Å
187R98Very high98.7Very high215 Ų21545.5 Ų45.581%0.81122%0.218SC*.G310 helixtrans-63-19.3176.272.1-179-177.4179.3-2.8114L185L185-R187 VanDerWaalsContact C-N 3.26Å; L185-R187 PolarHBondContact O-N 3.34Å
188H98.4Very high98.5Very high68 Ų6844.5 Ų44.532%0.31522%0.217SC..G310 helixtrans-95.66.2176.8-58.8-71.9000112.3V141 L185 G186 I190V141-H188 HydrophobicContact CG2-CB 3.92Å; L185-H188 WeakPolarHBondContact O-CA 3.49Å; L185-H188 WeakPolarHBondContact O-CB 3.36Å; L185-H188 PolarHBondContact O-N 2.89Å; G186-H188 PolarHBondContact O-N 2.82Å; G186-H188 VanDerWaalsContact O-N 3.15Å; H188-I190 HydrophobicContact CB-CD1 4.04Å; H188-I190 HydrophobicContact CB-CG1 4.28Å; H188-I190 PolarHBondContact O-N 2.68Å
189G98.1Very high98.3Very high21 Ų2146 Ų4622%0.21622%0.223CC..THydrogen-bonded Turntrans68.622.6-176.800000113.4R146 G186R146-G189 WeakPolarHBondContact CB-O 3.44Å; G186-G189 PolarHBondContact O-N 3.32Å
190I98.8Very high98.2Very high1 Ų142.2 Ų42.21%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-103.9125.1177.2-59.3165.9000108.3L140 V141 G147 I149 L185 H188L140-I190 HydrophobicContact CB-CD1 3.59Å; L140-I190 HydrophobicContact CB-CG1 4.26Å; L140-I190 HydrophobicContact CD1-CD1 4.08Å; L140-I190 HydrophobicContact CD1-CG1 4.17Å; L140-I190 HydrophobicContact CD1-CG2 4.27Å; L140-I190 HydrophobicContact CG-CD1 4.5Å; V141-I190 HydrophobicContact CG2-CD1 3.81Å; G147-I190 WeakPolarHBondContact O-CA 3.47Å; I149-I190 HydrophobicContact CD1-CG2 4.03Å; I149-I190 HydrophobicContact CG1-CG2 4.18Å; L185-I190 CarbonylContact C-O 3.57Å; L185-I190 HydrophobicContact CB-CB 4.02Å; L185-I190 HydrophobicContact CB-CG2 4.21Å; L185-I190 HydrophobicContact CD1-CG2 4.18Å; L185-I190 PolarHBondContact O-N 2.93Å; H188-I190 HydrophobicContact CB-CD1 4.04Å; H188-I190 HydrophobicContact CB-CG1 4.28Å; H188-I190 PolarHBondContact O-N 2.68Å
191R98.8Very high97.9Very high31 Ų3140.7 Ų40.712%0.11720%0.201CC..EExtended strand (participates in β ladder)trans-92.6144.8175.5-58.7-179.2-59.4106.1-3.2109.5G147 S148 I149 L238 S240 S243 I246 T247G147-R191 PolarHBondContact O-N 2.94Å; S148-R191 PolarHBondContact OG-NH2 3.4Å; I149-R191 PolarHBondContact N-O 2.86Å; R191-L238 PolarHBondContact NH1-O 2.85Å; R191-L238 VanDerWaalsContact NH1-O 3.13Å; R191-L238 PolarHBondContact NH2-O 2.87Å; R191-S240 PolarHBondContact NH2-O 2.9Å; R191-S243 WeakPolarHBondContact CD-O 3.3Å; R191-S243 VanDerWaalsContact CZ-OG 3.29Å; R191-S243 PolarHBondContact NH1-O 3.04Å; R191-S243 PolarHBondContact NH1-OG 2.82Å; R191-S243 PolarHBondContact NH2-OG 3.34Å; R191-S243 VanDerWaalsContact NH2-OG 3.09Å; R191-I246 WeakPolarHBondContact CD-O 3.22Å; R191-I246 PolarHBondContact NH1-O 3.47Å; R191-T247 WeakPolarHBondContact CA-OG1 3.35Å
192C98.9Very high97.6Very high0 Ų040.9 Ų40.90%020%0.201CC..EExtended strand (participates in β ladder)trans-134.7116.9175.3-168.40000109.4I149 A181 A182 T247 G248I149-C192 HydrophobicContact CB-CB 4.42Å; I149-C192 CarbonylContact O-C 3.52Å; I149-C192 VanDerWaalsContact O-CA 3.29Å; I149-C192 WeakPolarHBondContact O-CA 3.34Å; A181-C192 HydrophobicContact CB-CB 4.33Å; A182-C192 HydrophobicContact CB-CB 4.12Å; C192-T247 PolarHBondContact N-OG1 3.3Å; C192-T247 VanDerWaalsContact N-OG1 3.09Å; C192-G248 WeakPolarHBondContact O-CA 3.49Å; C192-G248 PolarHBondContact O-N 2.96Å
193N98.9Very high97Very high0 Ų043.7 Ų43.70%022%0.219CC..EExtended strand (participates in β ladder)trans-131.7162.8-177.6-63.5-67.5000110.8I149 I150 N151 T178 L238 I246 T247 G248 A249I149-N193 PolarHBondContact O-N 3.18Å; I150-N193 CarbonylContact C-O 3.49Å; I150-N193 WeakPolarHBondContact CA-O 3.42Å; N151-N193 PolarHBondContact N-O 3.1Å; T178-N193 VanDerWaalsContact CG2-CA 3.47Å; N193-L238 HydrophobicContact CB-CD1 4.1Å; N193-L238 HydrophobicContact CB-CD2 4.25Å; N193-I246 PolarHBondContact ND2-O 3.14Å; N193-T247 VanDerWaalsContact OD1-C 3.3Å; N193-T247 WeakPolarHBondContact OD1-CA 3.3Å; N193-T247 PolarHBondContact OD1-N 3.36Å; N193-G248 PolarHBondContact OD1-N 2.87Å; N193-A249 WeakPolarHBondContact OD1-CB 3.39Å; N193-A249 PolarHBondContact OD1-N 3.2Å
194S98.9Very high96.2Very high0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-122.1145.3175.562.70000111N151 A249 T250 V251N151-S194 WeakPolarHBondContact O-CA 3.37Å; N151-S194 WeakPolarHBondContact O-CB 3.42Å; S194-A249 PolarHBondContact N-O 3.24Å; S194-A249 PolarHBondContact OG-O 2.97Å; S194-T250 PolarHBondContact OG-OG1 3.2Å; S194-V251 PolarHBondContact O-N 3.08Å
195V98.9Very high95.5Very high0 Ų032.3 Ų32.30%018%0.177CC..EExtended strand (participates in β ladder)trans-114.2132.6172.1-179.90000107.9I150 N151 I152 S153 P197 V231 V235 L238 V251 V253I150-V195 HydrophobicContact CG2-CG2 3.87Å; N151-V195 PolarHBondContact O-N 2.91Å; I152-V195 HydrophobicContact CD1-CB 4.02Å; I152-V195 HydrophobicContact CD1-CG2 4.48Å; S153-V195 PolarHBondContact N-O 3.15Å; V195-P197 VanDerWaalsContact O-CD 3.28Å; V195-P197 WeakPolarHBondContact O-CD 3.37Å; V195-V231 HydrophobicContact CG1-CG1 3.98Å; V195-V235 HydrophobicContact CG2-CG2 4.04Å; V195-L238 HydrophobicContact CG2-CD1 3.5Å; V195-V251 CarbonylContact C-O 3.56Å; V195-V251 WeakPolarHBondContact CA-O 3.34Å; V195-V253 HydrophobicContact CG1-CB 4.49Å; V195-V253 HydrophobicContact CG1-CG2 3.75Å
196L98.6Very high94.7Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-114.390.4-178.3-81.563.3000108.5S154 K158 I175 T250 V251 E252 V253S154-L196 WeakPolarHBondContact O-CG 3.49Å; K158-L196 HydrophobicContact CB-CD2 4.39Å; I175-L196 HydrophobicContact CD1-CD1 4.36Å; I175-L196 HydrophobicContact CD1-CD2 3.77Å; I175-L196 HydrophobicContact CD1-CG 4.38Å; I175-L196 HydrophobicContact CG1-CD1 4.23Å; L196-T250 HydrophobicContact CD1-CG2 3.3Å; L196-T250 HydrophobicContact CD2-CG2 3.53Å; L196-T250 HydrophobicContact CG-CG2 4.01Å; L196-V251 PolarHBondContact N-O 2.88Å; L196-E252 HydrophobicContact CB-CG 4.21Å; L196-E252 HydrophobicContact CD2-CG 4.41Å; L196-V253 PolarHBondContact O-N 3.18Å
197P98.3Very high94Very high8 Ų844.8 Ų44.85%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-63.9144.8171.8-21.233.3000111.5I21 I152 I155 V195 I200 V231 V253I21-P197 HydrophobicContact CD1-CB 4.27Å; I21-P197 HydrophobicContact CD1-CG 4.11Å; I152-P197 HydrophobicContact CG2-CG 3.95Å; I155-P197 PolarHBondContact N-O 3.43Å; V195-P197 VanDerWaalsContact O-CD 3.28Å; V195-P197 WeakPolarHBondContact O-CD 3.37Å; P197-I200 HydrophobicContact CB-CD1 4.28Å; P197-I200 HydrophobicContact CB-CG1 3.72Å; P197-V231 HydrophobicContact CB-CG2 3.88Å; P197-V231 HydrophobicContact CG-CG1 3.9Å; P197-V231 HydrophobicContact CG-CG2 3.89Å; P197-V253 CarbonylContact C-O 3.41Å; P197-V253 WeakPolarHBondContact CA-O 3.3Å
198G96Very high93.4Very high14 Ų1436.5 Ų36.514%0.14419%0.193CC..  trans-77.8-141162.300000111.5I200 V253G198-I200 PolarHBondContact O-N 3.31Å; G198-V253 PolarHBondContact N-O 3.38Å
199F94.7Very high92.9Very high31 Ų3137.4 Ų37.414%0.13621%0.205CC..SBendtrans-83.8112.9172.5-73.6-95000109.9M208 V216 M225 G226 L257F199-M208 HydrophobicContact CD1-CE 3.95Å; F199-M208 HydrophobicContact CD1-SD 3.95Å; F199-M208 HydrophobicContact CE1-CE 3.65Å; F199-M208 HydrophobicContact CE1-SD 3.98Å; F199-V216 HydrophobicContact CB-CG1 3.73Å; F199-V216 HydrophobicContact CD1-CG1 3.94Å; F199-V216 HydrophobicContact CD1-CG2 4.34Å; F199-V216 HydrophobicContact CD2-CG1 3.37Å; F199-V216 HydrophobicContact CD2-CG2 4.35Å; F199-V216 HydrophobicContact CE1-CG1 4.38Å; F199-V216 HydrophobicContact CE1-CG2 4.02Å; F199-V216 HydrophobicContact CE2-CG1 3.87Å; F199-V216 HydrophobicContact CE2-CG2 4.03Å; F199-V216 HydrophobicContact CG-CG1 3.4Å; F199-V216 VanDerWaalsContact CG-CG1 3.4Å; F199-V216 HydrophobicContact CG-CG2 4.49Å; F199-V216 HydrophobicContact CZ-CG1 4.34Å; F199-V216 HydrophobicContact CZ-CG2 3.85Å; F199-M225 HydrophobicContact CB-CE 4.06Å; F199-M225 HydrophobicContact CB-CG 4.2Å; F199-M225 WeakPolarHBondContact O-CB 3.2Å; F199-G226 PolarHBondContact O-N 2.86Å; F199-L257 HydrophobicContact CD2-CD2 3.42Å; F199-L257 VanDerWaalsContact CD2-CD2 3.42Å; F199-L257 HydrophobicContact CE2-CD2 3.71Å
200I96.5Very high92.5Very high7 Ų741.7 Ų41.74%0.03622%0.219CC..BIsolated β-bridgetrans-111.8136.4-176.7-53.3-57.6000110.2I21 P197 G198 T202 T205 G226 D227 P228 V231I21-I200 HydrophobicContact CD1-CB 4.24Å; I21-I200 HydrophobicContact CD1-CG1 4.12Å; I21-I200 HydrophobicContact CD1-CG2 4.31Å; I21-I200 HydrophobicContact CG1-CG2 4.12Å; P197-I200 HydrophobicContact CB-CD1 4.28Å; P197-I200 HydrophobicContact CB-CG1 3.72Å; G198-I200 PolarHBondContact O-N 3.31Å; I200-T202 HydrophobicContact CB-CG2 4.27Å; I200-T202 HydrophobicContact CG2-CG2 3.89Å; I200-T202 PolarHBondContact O-N 3.43Å; I200-T202 PolarHBondContact O-OG1 3.11Å; I200-T205 WeakPolarHBondContact O-CB 3.3Å; I200-T205 WeakPolarHBondContact O-CG2 3.33Å; I200-T205 PolarHBondContact O-OG1 2.71Å; I200-G226 CarbonylContact C-O 3.46Å; I200-G226 WeakPolarHBondContact CA-O 3.41Å; I200-G226 WeakPolarHBondContact CG2-O 3.43Å; I200-D227 VanDerWaalsContact CG2-C 3.43Å; I200-P228 HydrophobicContact CG2-CG 4.1Å; I200-V231 HydrophobicContact CD1-CG2 3.84Å; I200-V231 HydrophobicContact CG1-CG2 3.91Å
201A93.1Very high92.1Very high42 Ų4249.9 Ų49.935%0.34726%0.255SS..  trans-6695177.300000111.1G226 P228A201-G226 PolarHBondContact N-O 3.13Å; A201-P228 WeakPolarHBondContact O-CD 3.09Å; A201-P228 VanDerWaalsContact O-CG 3.32Å; A201-P228 WeakPolarHBondContact O-CG 3.45Å
202T90.8Very high91.6Very high14 Ų1451.3 Ų51.39%0.08627%0.267CS..SBendtrans-139.6167.4-177.159.90000110I21 I200 M204 T205 Q206 P228I21-T202 HydrophobicContact CG1-CG2 4.05Å; I200-T202 HydrophobicContact CB-CG2 4.27Å; I200-T202 HydrophobicContact CG2-CG2 3.89Å; I200-T202 PolarHBondContact O-N 3.43Å; I200-T202 PolarHBondContact O-OG1 3.11Å; T202-M204 PolarHBondContact O-N 2.72Å; T202-M204 PolarHBondContact OG1-N 3.29Å; T202-T205 PolarHBondContact N-OG1 3Å; T202-T205 PolarHBondContact O-N 2.96Å; T202-T205 VanDerWaalsContact O-N 3.08Å; T202-T205 PolarHBondContact O-OG1 3.5Å; T202-T205 VanDerWaalsContact O-OG1 3.13Å; T202-Q206 WeakPolarHBondContact O-CG 3.27Å; T202-Q206 PolarHBondContact O-N 3.2Å; T202-P228 HydrophobicContact CG2-CG 4.05Å
203P86.6Confident91.1Very high66 Ų6653.4 Ų53.443%0.42928%0.276SS..THydrogen-bonded Turntrans-53.9-26.4171.8-2836.5000114.2
204M82.9Confident90.7Very high86 Ų8657.9 Ų57.942%0.42430%0.3SS..THydrogen-bonded Turntrans-68.3-46.8176.3-174.6-178-70.600111.8T105 T202T105-M204 HydrophobicContact CG2-CE 4.41Å; T105-M204 HydrophobicContact CG2-SD 3.98Å; T202-M204 PolarHBondContact O-N 2.72Å; T202-M204 PolarHBondContact OG1-N 3.29Å
205T82.8Confident90.3Very high18 Ų1865.1 Ų65.111%0.1133%0.331CS..G310 helixtrans-82.6-19-177.653.90000113.3I200 T202 K207 M208 M225I200-T205 WeakPolarHBondContact O-CB 3.3Å; I200-T205 WeakPolarHBondContact O-CG2 3.33Å; I200-T205 PolarHBondContact O-OG1 2.71Å; T202-T205 PolarHBondContact N-OG1 3Å; T202-T205 PolarHBondContact O-N 2.96Å; T202-T205 VanDerWaalsContact O-N 3.08Å; T202-T205 PolarHBondContact O-OG1 3.5Å; T202-T205 VanDerWaalsContact O-OG1 3.13Å; T205-K207 PolarHBondContact O-N 3.39Å; T205-K207 VanDerWaalsContact O-N 3.15Å; T205-M208 HydrophobicContact CG2-SD 4.15Å; T205-M208 VanDerWaalsContact O-CB 3.27Å; T205-M208 WeakPolarHBondContact O-CB 3.46Å; T205-M208 WeakPolarHBondContact O-CG 3.44Å; T205-M208 PolarHBondContact O-N 2.87Å; T205-M225 HydrophobicContact CG2-CE 4.09Å
206Q83.1Confident89.9Confident136 Ų13665.5 Ų65.564%0.63633%0.334SS*.G310 helixtrans-58.6-25.4172.9-78.5173.71.800113.3T202 M208T202-Q206 WeakPolarHBondContact O-CG 3.27Å; T202-Q206 PolarHBondContact O-N 3.2Å; Q206-M208 PolarHBondContact O-N 2.9Å
207K83.9Confident89.6Confident183 Ų18367.3 Ų67.380%0.79635%0.345SS*.G310 helixtrans-74.4-10.9176.9-61.4-178.9-177.7-179.40113.6T205T205-K207 PolarHBondContact O-N 3.39Å; T205-K207 VanDerWaalsContact O-N 3.15Å
208M84.1Confident89.4Confident40 Ų4071.2 Ų71.220%0.19738%0.378CS..SBendtrans-70.8139179.7-65.9173.161.900110.8F199 T205 Q206 V212 K213 V216F199-M208 HydrophobicContact CD1-CE 3.95Å; F199-M208 HydrophobicContact CD1-SD 3.95Å; F199-M208 HydrophobicContact CE1-CE 3.65Å; F199-M208 HydrophobicContact CE1-SD 3.98Å; T205-M208 HydrophobicContact CG2-SD 4.15Å; T205-M208 VanDerWaalsContact O-CB 3.27Å; T205-M208 WeakPolarHBondContact O-CB 3.46Å; T205-M208 WeakPolarHBondContact O-CG 3.44Å; T205-M208 PolarHBondContact O-N 2.87Å; Q206-M208 PolarHBondContact O-N 2.9Å; M208-V212 HydrophobicContact CE-CB 4.22Å; M208-V212 HydrophobicContact CE-CG1 3.45Å; M208-V212 VanDerWaalsContact CE-CG1 3.45Å; M208-K213 HydrophobicContact CB-CG 4.1Å; M208-K213 VanDerWaalsContact O-CE 3.27Å; M208-K213 WeakPolarHBondContact O-CE 3.38Å; M208-V216 HydrophobicContact CE-CG2 4.23Å
209P88.9Confident89.3Confident87 Ų8775.4 Ų75.457%0.56540%0.395SS*.  trans-60.7145172.2-20.531.4000111.6K211 V212 K213P209-K211 VanDerWaalsContact C-N 3.31Å; P209-K211 PolarHBondContact O-N 3.22Å; P209-V212 HydrophobicContact CB-CG2 4.14Å; P209-V212 HydrophobicContact CG-CG2 4.16Å; P209-V212 WeakPolarHBondContact O-CA 3.46Å; P209-V212 WeakPolarHBondContact O-CB 3.44Å; P209-V212 PolarHBondContact O-N 3.08Å; P209-K213 PolarHBondContact O-N 3.43Å
210E89.4Confident89.4Confident112 Ų11274.3 Ų74.352%0.52339%0.39SS..Hα-helixtrans-57.8-41.8-174.2-155.759.4-156.900113V212 K213 D214E210-V212 PolarHBondContact O-N 3.45Å; E210-V212 VanDerWaalsContact O-N 3.1Å; E210-K213 WeakPolarHBondContact O-CA 3.35Å; E210-K213 WeakPolarHBondContact O-CB 3.46Å; E210-K213 PolarHBondContact O-N 2.87Å; E210-K213 IonicContact OE2-NZ 3.5Å; E210-K213 PolarHBondContact OE2-NZ 3.26Å; E210-D214 PolarHBondContact O-N 3.35Å
211K90Very high89.5Confident172 Ų17278 Ų7875%0.74842%0.415SS*.Hα-helixtrans-57.5-29.2174.6-66.7-175.3178.8-179.50113.7P209 K215P209-K211 VanDerWaalsContact C-N 3.31Å; P209-K211 PolarHBondContact O-N 3.22Å; K211-K215 VanDerWaalsContact O-CG 3.3Å; K211-K215 WeakPolarHBondContact O-CG 3.44Å; K211-K215 PolarHBondContact O-N 2.94Å
212V88.2Confident89.7Confident62 Ų6281.6 Ų81.638%0.37643%0.427SS..Hα-helixtrans-77.8-40.4176.2-175.70000109.7M208 P209 E210 K215 V216M208-V212 HydrophobicContact CE-CB 4.22Å; M208-V212 HydrophobicContact CE-CG1 3.45Å; M208-V212 VanDerWaalsContact CE-CG1 3.45Å; P209-V212 HydrophobicContact CB-CG2 4.14Å; P209-V212 HydrophobicContact CG-CG2 4.16Å; P209-V212 WeakPolarHBondContact O-CA 3.46Å; P209-V212 WeakPolarHBondContact O-CB 3.44Å; P209-V212 PolarHBondContact O-N 3.08Å; E210-V212 PolarHBondContact O-N 3.45Å; E210-V212 VanDerWaalsContact O-N 3.1Å; V212-K215 PolarHBondContact O-N 2.85Å; V212-V216 HydrophobicContact CG1-CG2 4.45Å; V212-V216 WeakPolarHBondContact O-CB 3.48Å; V212-V216 WeakPolarHBondContact O-CG2 3.31Å; V212-V216 PolarHBondContact O-N 2.7Å
213K87.9Confident89.9Confident43 Ų4383.1 Ų83.119%0.18745%0.446CS..Hα-helixtrans-61.3-43.2174.4-61.6-175.5-163.7149.40112M208 P209 E210 K215 V216 T217M208-K213 HydrophobicContact CB-CG 4.1Å; M208-K213 VanDerWaalsContact O-CE 3.27Å; M208-K213 WeakPolarHBondContact O-CE 3.38Å; P209-K213 PolarHBondContact O-N 3.43Å; E210-K213 WeakPolarHBondContact O-CA 3.35Å; E210-K213 WeakPolarHBondContact O-CB 3.46Å; E210-K213 PolarHBondContact O-N 2.87Å; E210-K213 IonicContact OE2-NZ 3.5Å; E210-K213 PolarHBondContact OE2-NZ 3.26Å; K213-K215 PolarHBondContact O-N 3.16Å; K213-V216 PolarHBondContact O-N 3.08Å; K213-T217 VanDerWaalsContact O-CB 3.3Å; K213-T217 WeakPolarHBondContact O-CB 3.37Å; K213-T217 PolarHBondContact O-N 2.91Å; K213-T217 PolarHBondContact O-OG1 3.16Å
214D90.5Very high90.3Very high95 Ų9584.5 Ų84.551%0.50845%0.446SS..Hα-helixtrans-59.9-46.7177.1-66.7-26.6000111.4E210 T217 A218E210-D214 PolarHBondContact O-N 3.35Å; D214-T217 PolarHBondContact O-N 3.47Å; D214-A218 WeakPolarHBondContact O-CB 3.44Å; D214-A218 PolarHBondContact O-N 3.47Å
215K91.1Very high90.9Very high151 Ų15181.9 Ų81.966%0.65743%0.433SS*.Hα-helixtrans-61.9-45.6177.5-77.8179.3177.3-172.30112.1K211 V212 K213 A218 M219K211-K215 VanDerWaalsContact O-CG 3.3Å; K211-K215 WeakPolarHBondContact O-CG 3.44Å; K211-K215 PolarHBondContact O-N 2.94Å; V212-K215 PolarHBondContact O-N 2.85Å; K213-K215 PolarHBondContact O-N 3.16Å; K215-A218 PolarHBondContact O-N 3.49Å; K215-M219 WeakPolarHBondContact O-CG 3.25Å; K215-M219 PolarHBondContact O-N 3.28Å
216V90Very high91.6Very high8 Ų881.6 Ų81.65%0.04844%0.435CS..Hα-helixtrans-60.6-49.2176.4165.10000110.1F199 M208 V212 K213 A218 M219 I220F199-V216 HydrophobicContact CB-CG1 3.73Å; F199-V216 HydrophobicContact CD1-CG1 3.94Å; F199-V216 HydrophobicContact CD1-CG2 4.34Å; F199-V216 HydrophobicContact CD2-CG1 3.37Å; F199-V216 HydrophobicContact CD2-CG2 4.35Å; F199-V216 HydrophobicContact CE1-CG1 4.38Å; F199-V216 HydrophobicContact CE1-CG2 4.02Å; F199-V216 HydrophobicContact CE2-CG1 3.87Å; F199-V216 HydrophobicContact CE2-CG2 4.03Å; F199-V216 HydrophobicContact CG-CG1 3.4Å; F199-V216 VanDerWaalsContact CG-CG1 3.4Å; F199-V216 HydrophobicContact CG-CG2 4.49Å; F199-V216 HydrophobicContact CZ-CG1 4.34Å; F199-V216 HydrophobicContact CZ-CG2 3.85Å; M208-V216 HydrophobicContact CE-CG2 4.23Å; V212-V216 HydrophobicContact CG1-CG2 4.45Å; V212-V216 WeakPolarHBondContact O-CB 3.48Å; V212-V216 WeakPolarHBondContact O-CG2 3.31Å; V212-V216 PolarHBondContact O-N 2.7Å; K213-V216 PolarHBondContact O-N 3.08Å; V216-A218 VanDerWaalsContact C-N 3.3Å; V216-A218 PolarHBondContact O-N 3.49Å; V216-M219 HydrophobicContact CG2-CE 4.33Å; V216-M219 WeakPolarHBondContact O-CB 3.32Å; V216-M219 PolarHBondContact O-N 3.42Å; V216-I220 HydrophobicContact CG1-CD1 4.06Å; V216-I220 WeakPolarHBondContact O-CG1 3.35Å; V216-I220 PolarHBondContact O-N 2.88Å
217T92.3Very high92.2Very high39 Ų3979 Ų7924%0.23943%0.425CS..Hα-helixtrans-58.8-41.7-179.1-58.70000111.9K213 D214 M219 I220 G223K213-T217 VanDerWaalsContact O-CB 3.3Å; K213-T217 WeakPolarHBondContact O-CB 3.37Å; K213-T217 PolarHBondContact O-N 2.91Å; K213-T217 PolarHBondContact O-OG1 3.16Å; D214-T217 PolarHBondContact O-N 3.47Å; T217-M219 PolarHBondContact O-N 2.93Å; T217-I220 PolarHBondContact O-N 3.39Å; T217-G223 WeakPolarHBondContact CG2-O 3.35Å
218A94.6Very high92.9Very high90 Ų9071.1 Ų71.174%0.74439%0.392SS*.Hα-helixtrans-64.4-22.4176.400000114D214 K215 V216D214-A218 WeakPolarHBondContact O-CB 3.44Å; D214-A218 PolarHBondContact O-N 3.47Å; K215-A218 PolarHBondContact O-N 3.49Å; V216-A218 VanDerWaalsContact C-N 3.3Å; V216-A218 PolarHBondContact O-N 3.49Å
219M94.4Very high93.6Very high101 Ų10174.2 Ų74.250%0.49841%0.407SS..Hα-helixtrans-87.8-13.6174.6-65-174.6-61.700113.1K215 V216 T217 P221 L257K215-M219 WeakPolarHBondContact O-CG 3.25Å; K215-M219 PolarHBondContact O-N 3.28Å; V216-M219 HydrophobicContact CG2-CE 4.33Å; V216-M219 WeakPolarHBondContact O-CB 3.32Å; V216-M219 PolarHBondContact O-N 3.42Å; T217-M219 PolarHBondContact O-N 2.93Å; M219-P221 VanDerWaalsContact O-CD 3.3Å; M219-P221 WeakPolarHBondContact O-CD 3.22Å; M219-L257 HydrophobicContact CB-CD1 3.54Å; M219-L257 WeakPolarHBondContact O-CD1 3.47Å
220I96.6Very high94Very high8 Ų873.4 Ų73.44%0.04140%0.397CS..SBendtrans-84118.9179.4-60.3169.2000108.3V216 T217 L222 G223 H224 M225 G255 L257V216-I220 HydrophobicContact CG1-CD1 4.06Å; V216-I220 WeakPolarHBondContact O-CG1 3.35Å; V216-I220 PolarHBondContact O-N 2.88Å; T217-I220 PolarHBondContact O-N 3.39Å; I220-L222 VanDerWaalsContact C-N 3.28Å; I220-L222 HydrophobicContact CG2-CB 4.32Å; I220-L222 PolarHBondContact O-N 2.98Å; I220-G223 WeakPolarHBondContact O-CA 3.43Å; I220-G223 PolarHBondContact O-N 2.67Å; I220-H224 WeakPolarHBondContact CD1-O 3.39Å; I220-H224 WeakPolarHBondContact CG2-O 3.49Å; I220-M225 HydrophobicContact CD1-CG 4.34Å; I220-G255 WeakPolarHBondContact CG2-O 3.28Å; I220-L257 HydrophobicContact CG1-CB 4.14Å; I220-L257 HydrophobicContact CG1-CD1 4.05Å; I220-L257 HydrophobicContact CG1-CD2 4.31Å; I220-L257 HydrophobicContact CG1-CG 4.4Å
221P97.5Very high94.5Very high85 Ų8568.1 Ų68.155%0.55237%0.373SS*.THydrogen-bonded Turntrans-56.1-35.2177.9-31.237.8000115.4M219 G223 G255 G256 M259M219-P221 VanDerWaalsContact O-CD 3.3Å; M219-P221 WeakPolarHBondContact O-CD 3.22Å; P221-G223 PolarHBondContact O-N 3.22Å; P221-G255 VanDerWaalsContact CD-O 3.23Å; P221-G255 WeakPolarHBondContact CD-O 3.18Å; P221-G256 WeakPolarHBondContact CD-O 3.35Å; P221-G256 WeakPolarHBondContact CG-O 3.28Å; P221-M259 HydrophobicContact CG-CE 3.93Å
222L97.3Very high94.9Very high117 Ų11760 Ų6061%0.61334%0.337SS*.THydrogen-bonded Turntrans-72.2-7173.4-64.9-172.6000113.9I220 H224 G255I220-L222 VanDerWaalsContact C-N 3.28Å; I220-L222 HydrophobicContact CG2-CB 4.32Å; I220-L222 PolarHBondContact O-N 2.98Å; L222-H224 VanDerWaalsContact C-N 3.29Å; L222-H224 PolarHBondContact O-CD2 3.48Å; L222-H224 PolarHBondContact O-N 3Å; L222-G255 WeakPolarHBondContact CG-O 3.42Å; L222-G255 PolarHBondContact N-O 2.92Å; L222-G255 VanDerWaalsContact N-O 3.14Å
223G95.6Very high95.3Very high46 Ų4660.4 Ų60.447%0.47434%0.338SS..SBendtrans76.48.5171.800000115.5T217 I220 P221T217-G223 WeakPolarHBondContact CG2-O 3.35Å; I220-G223 WeakPolarHBondContact O-CA 3.43Å; I220-G223 PolarHBondContact O-N 2.67Å; P221-G223 PolarHBondContact O-N 3.22Å
224H95.1Very high95.9Very high95 Ų9559.2 Ų59.244%0.4434%0.336SS..SBendtrans-148.3157176.165.290.3000111.5I220 L222I220-H224 WeakPolarHBondContact CD1-O 3.39Å; I220-H224 WeakPolarHBondContact CG2-O 3.49Å; L222-H224 VanDerWaalsContact C-N 3.29Å; L222-H224 PolarHBondContact O-CD2 3.48Å; L222-H224 PolarHBondContact O-N 3Å
225M95.6Very high96.3Very high31 Ų3154.7 Ų54.715%0.15331%0.311CS..PPolyproline II helixtrans-64.3147.1165.7-71.1175.665.200109.9F199 T205 I220F199-M225 HydrophobicContact CB-CE 4.06Å; F199-M225 HydrophobicContact CB-CG 4.2Å; F199-M225 WeakPolarHBondContact O-CB 3.2Å; T205-M225 HydrophobicContact CG2-CE 4.09Å; I220-M225 HydrophobicContact CD1-CG 4.34Å
226G96.8Very high96.6Very high13 Ų1347.5 Ų47.513%0.13428%0.28CS..BIsolated β-bridgetrans-72.3158.9174.800000111.9F199 I200 A201 D230F199-G226 PolarHBondContact O-N 2.86Å; I200-G226 CarbonylContact C-O 3.46Å; I200-G226 WeakPolarHBondContact CA-O 3.41Å; I200-G226 WeakPolarHBondContact CG2-O 3.43Å; A201-G226 PolarHBondContact N-O 3.13Å; G226-D230 VanDerWaalsContact CA-OD2 3.28Å; G226-D230 WeakPolarHBondContact CA-OD2 3.26Å
227D97.4Very high97Very high82 Ų8250.8 Ų50.844%0.43929%0.294SS..PPolyproline II helixtrans-93.6155.8171.4-72-42.3000110.8I200 E229 D230I200-D227 VanDerWaalsContact CG2-C 3.43Å; D227-E229 PolarHBondContact O-N 3.2Å; D227-E229 VanDerWaalsContact O-N 3.12Å; D227-D230 PolarHBondContact N-OD2 3.34Å; D227-D230 WeakPolarHBondContact O-CB 3.43Å; D227-D230 PolarHBondContact O-N 2.89Å
228P98Very high97.3Very high16 Ų1649 Ų4910%0.10428%0.283CS..Hα-helixtrans-51.1-33.2174.1-29.938.6000113.5A24 I200 A201 T202 V231 A232A24-P228 HydrophobicContact CB-CB 3.41Å; A24-P228 VanDerWaalsContact CB-CB 3.41Å; I200-P228 HydrophobicContact CG2-CG 4.1Å; A201-P228 WeakPolarHBondContact O-CD 3.09Å; A201-P228 VanDerWaalsContact O-CG 3.32Å; A201-P228 WeakPolarHBondContact O-CG 3.45Å; T202-P228 HydrophobicContact CG2-CG 4.05Å; P228-V231 PolarHBondContact O-N 2.78Å; P228-A232 PolarHBondContact O-N 2.88Å
229E97.8Very high97.5Very high106 Ų10645.1 Ų45.150%0.49525%0.251SS..Hα-helixtrans-63.6-36.7177.1-71.170.5-160.800112.5D227 V231 A232 D233D227-E229 PolarHBondContact O-N 3.2Å; D227-E229 VanDerWaalsContact O-N 3.12Å; E229-V231 PolarHBondContact O-N 2.91Å; E229-A232 WeakPolarHBondContact O-CB 3.48Å; E229-A232 PolarHBondContact O-N 3.33Å; E229-D233 PolarHBondContact O-N 2.92Å
230D98.3Very high97.6Very high70 Ų7040.5 Ų40.537%0.37423%0.228SC..Hα-helixtrans-59.2-38.6177-65.5-41.3000111.3G226 D227 V253G226-D230 VanDerWaalsContact CA-OD2 3.28Å; G226-D230 WeakPolarHBondContact CA-OD2 3.26Å; D227-D230 PolarHBondContact N-OD2 3.34Å; D227-D230 WeakPolarHBondContact O-CB 3.43Å; D227-D230 PolarHBondContact O-N 2.89Å; D230-V253 HydrophobicContact CB-CG1 4.05Å
231V98.8Very high97.6Very high0 Ų048.7 Ų48.70%027%0.267CS..Hα-helixtrans-73.2-41.6175.3-175.90000110.6I21 V195 P197 I200 P228 E229 D233 A234 V235 V253I21-V231 HydrophobicContact CD1-CG2 4.29Å; I21-V231 HydrophobicContact CG1-CG2 4.45Å; I21-V231 HydrophobicContact CG2-CB 4.06Å; I21-V231 HydrophobicContact CG2-CG1 3.66Å; V195-V231 HydrophobicContact CG1-CG1 3.98Å; P197-V231 HydrophobicContact CB-CG2 3.88Å; P197-V231 HydrophobicContact CG-CG1 3.9Å; P197-V231 HydrophobicContact CG-CG2 3.89Å; I200-V231 HydrophobicContact CD1-CG2 3.84Å; I200-V231 HydrophobicContact CG1-CG2 3.91Å; P228-V231 PolarHBondContact O-N 2.78Å; E229-V231 PolarHBondContact O-N 2.91Å; V231-D233 PolarHBondContact O-N 3.47Å; V231-A234 PolarHBondContact O-N 2.71Å; V231-V235 HydrophobicContact CG1-CG2 4.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.45Å; V231-V235 PolarHBondContact O-N 2.85Å; V231-V253 HydrophobicContact CG2-CG1 4.2Å
232A98.5Very high97.5Very high1 Ų149.4 Ų49.41%0.00827%0.266CS..Hα-helixtrans-59.7-36179.500000112.5A24 I25 R28 P228 E229 V235 A236A24-A232 HydrophobicContact CB-CB 4.23Å; I25-A232 HydrophobicContact CG1-CB 4.06Å; R28-A232 HydrophobicContact CB-CB 3.76Å; R28-A232 HydrophobicContact CG-CB 4.19Å; P228-A232 PolarHBondContact O-N 2.88Å; E229-A232 WeakPolarHBondContact O-CB 3.48Å; E229-A232 PolarHBondContact O-N 3.33Å; A232-V235 PolarHBondContact O-N 3.28Å; A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 3.32Å
233D98.4Very high97.5Very high72 Ų7243.9 Ų43.939%0.38524%0.237SC..Hα-helixtrans-66.2-45.3178.8-77.623.6000112.1R28 E229 V231 V235 A236 F237R28-D233 IonicContact CZ-OD1 3.8Å; R28-D233 IonicContact CZ-OD2 3.72Å; R28-D233 IonicContact NE-OD1 2.99Å; R28-D233 IonicContact NH1-OD1 2.57Å; R28-D233 PolarHBondContact NH1-OD1 3.47Å; R28-D233 IonicContact NH1-OD2 2.82Å; R28-D233 PolarHBondContact NH1-OD2 3.35Å; E229-D233 PolarHBondContact O-N 2.92Å; V231-D233 PolarHBondContact O-N 3.47Å; D233-V235 VanDerWaalsContact C-N 3.33Å; D233-V235 PolarHBondContact O-N 3.42Å; D233-A236 PolarHBondContact O-N 3.43Å; D233-F237 PolarHBondContact O-N 3.42Å
234A98.7Very high97.6Very high17 Ų1743.9 Ų43.914%0.1424%0.237CC..Hα-helixtrans-62.4-41.3173.600000111.5V231 F237 L238 V253V231-A234 PolarHBondContact O-N 2.71Å; A234-F237 PolarHBondContact O-N 3.33Å; A234-L238 WeakPolarHBondContact O-CG 3.47Å; A234-L238 PolarHBondContact O-N 3.17Å; A234-V253 HydrophobicContact CB-CG2 3.73Å
235V98.8Very high97.8Very high0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-64.9-42.1176.7173.20000111.3I25 V99 I150 I152 V195 V231 A232 D233 F237 L238 A239I25-V235 HydrophobicContact CD1-CB 4.44Å; I25-V235 HydrophobicContact CD1-CG1 4.44Å; I25-V235 HydrophobicContact CD1-CG2 3.87Å; I25-V235 HydrophobicContact CG1-CB 4.22Å; I25-V235 HydrophobicContact CG1-CG1 4.32Å; I25-V235 HydrophobicContact CG1-CG2 4.13Å; I25-V235 HydrophobicContact CG2-CG1 3.78Å; V99-V235 HydrophobicContact CG1-CG1 4.23Å; V99-V235 HydrophobicContact CG2-CG1 3.79Å; I150-V235 HydrophobicContact CG2-CG1 4.46Å; I150-V235 HydrophobicContact CG2-CG2 4.18Å; I152-V235 HydrophobicContact CD1-CG2 3.72Å; V195-V235 HydrophobicContact CG2-CG2 4.04Å; V231-V235 HydrophobicContact CG1-CG2 4.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.45Å; V231-V235 PolarHBondContact O-N 2.85Å; A232-V235 PolarHBondContact O-N 3.28Å; D233-V235 VanDerWaalsContact C-N 3.33Å; D233-V235 PolarHBondContact O-N 3.42Å; V235-F237 VanDerWaalsContact C-N 3.35Å; V235-F237 PolarHBondContact O-N 3.29Å; V235-L238 CarbonylContact O-C 3.53Å; V235-L238 PolarHBondContact O-N 3.21Å; V235-A239 VanDerWaalsContact O-CB 3.3Å; V235-A239 WeakPolarHBondContact O-CB 3.39Å; V235-A239 PolarHBondContact O-N 3.08Å
236A98.3Very high97.9Very high0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-62.6-41.1177.300000112R28 L29 A232 D233 A239 S240R28-A236 HydrophobicContact CG-CB 3.84Å; L29-A236 HydrophobicContact CD2-CB 4.25Å; A232-A236 WeakPolarHBondContact O-CB 3.49Å; A232-A236 PolarHBondContact O-N 3.32Å; D233-A236 PolarHBondContact O-N 3.43Å; A236-A239 PolarHBondContact O-N 3.04Å; A236-S240 WeakPolarHBondContact O-CB 3.29Å; A236-S240 PolarHBondContact O-N 3.3Å; A236-S240 VanDerWaalsContact O-N 3.11Å
237F98.6Very high98Very high78 Ų7854.3 Ų54.334%0.34228%0.28SS..Hα-helixtrans-59.2-50.4171.3167.6-110.7000111.6D233 A234 V235 A239 S240 D242 S243 I246D233-F237 PolarHBondContact O-N 3.42Å; A234-F237 PolarHBondContact O-N 3.33Å; V235-F237 VanDerWaalsContact C-N 3.35Å; V235-F237 PolarHBondContact O-N 3.29Å; F237-A239 PolarHBondContact O-N 3.06Å; F237-S240 PolarHBondContact O-N 3.34Å; F237-S240 VanDerWaalsContact O-N 3.13Å; F237-S240 PolarHBondContact O-OG 3.18Å; F237-D242 HydrophobicContact CD2-CB 3.82Å; F237-D242 HydrophobicContact CE2-CB 3.71Å; F237-S243 WeakPolarHBondContact O-CB 3.25Å; F237-S243 PolarHBondContact O-OG 2.95Å; F237-I246 HydrophobicContact CE1-CD1 3.65Å; F237-I246 HydrophobicContact CZ-CD1 3.61Å
238L98.8Very high98.1Very high0 Ų051.3 Ų51.30%027%0.268CS..Hα-helixtrans-65-26178.8-70.2176.4000113.4S148 I150 R191 N193 V195 A234 V235 S243 I246 V251S148-L238 PolarHBondContact OG-O 3.47Å; I150-L238 HydrophobicContact CG1-CB 3.92Å; I150-L238 HydrophobicContact CG2-CD1 4.26Å; R191-L238 PolarHBondContact NH1-O 2.85Å; R191-L238 VanDerWaalsContact NH1-O 3.13Å; R191-L238 PolarHBondContact NH2-O 2.87Å; N193-L238 HydrophobicContact CB-CD1 4.1Å; N193-L238 HydrophobicContact CB-CD2 4.25Å; V195-L238 HydrophobicContact CG2-CD1 3.5Å; A234-L238 WeakPolarHBondContact O-CG 3.47Å; A234-L238 PolarHBondContact O-N 3.17Å; V235-L238 CarbonylContact O-C 3.53Å; V235-L238 PolarHBondContact O-N 3.21Å; L238-S243 VanDerWaalsContact CA-OG 3.26Å; L238-S243 WeakPolarHBondContact CA-OG 3.33Å; L238-S243 PolarHBondContact O-OG 3.04Å; L238-S243 VanDerWaalsContact O-OG 3.06Å; L238-I246 HydrophobicContact CD2-CG2 4.14Å; L238-V251 HydrophobicContact CD1-CG2 4.1Å; L238-V251 HydrophobicContact CD2-CG2 4.35Å
239A98.6Very high98.1Very high9 Ų951.9 Ų51.97%0.07428%0.275CS..Hα-helixtrans-76.3-29174.800000112.9L7 L29 V97 I150 V235 A236 F237L7-A239 HydrophobicContact CD1-CB 4.21Å; L7-A239 HydrophobicContact CD2-CB 4.29Å; L29-A239 HydrophobicContact CD2-CB 3.92Å; V97-A239 HydrophobicContact CG1-CB 3.71Å; V97-A239 HydrophobicContact CG2-CB 3.97Å; I150-A239 HydrophobicContact CD1-CB 4.31Å; V235-A239 VanDerWaalsContact O-CB 3.3Å; V235-A239 WeakPolarHBondContact O-CB 3.39Å; V235-A239 PolarHBondContact O-N 3.08Å; A236-A239 PolarHBondContact O-N 3.04Å; F237-A239 PolarHBondContact O-N 3.06Å
240S97.2Very high98.1Very high4 Ų449.1 Ų49.13%0.02827%0.265CS..SBendtrans-82.3172.2-174.675.60000114.4R191 A236 F237 D242 S243R191-S240 PolarHBondContact NH2-O 2.9Å; A236-S240 WeakPolarHBondContact O-CB 3.29Å; A236-S240 PolarHBondContact O-N 3.3Å; A236-S240 VanDerWaalsContact O-N 3.11Å; F237-S240 PolarHBondContact O-N 3.34Å; F237-S240 VanDerWaalsContact O-N 3.13Å; F237-S240 PolarHBondContact O-OG 3.18Å; S240-D242 PolarHBondContact O-N 2.78Å; S240-D242 WeakPolarHBondContact OG-CB 3.42Å; S240-D242 PolarHBondContact OG-N 3.46Å; S240-D242 PolarHBondContact OG-OD2 3.36Å; S240-S243 PolarHBondContact O-OG 2.84Å; S240-S243 VanDerWaalsContact O-OG 3.08Å
241E95.1Very high98.1Very high180 Ų18048 Ų4884%0.84126%0.26SS*.G310 helixtrans-70-18.5173-63.8-171.2158.100113.2S243 G244E241-S243 PolarHBondContact O-N 3.36Å; E241-S243 VanDerWaalsContact O-N 3.08Å; E241-G244 WeakPolarHBondContact O-CA 3.39Å; E241-G244 PolarHBondContact O-N 3.22Å
242D96.8Very high98.1Very high100 Ų10051.1 Ų51.154%0.53528%0.275SS..G310 helixtrans-58.7-24.9176.7-57.8-21.2000111.9R6 F237 S240R6-D242 VanDerWaalsContact CD-OD2 3.22Å; R6-D242 WeakPolarHBondContact CD-OD2 3.45Å; R6-D242 IonicContact NH1-OD2 3Å; R6-D242 PolarHBondContact NH1-OD2 2.98Å; R6-D242 VanDerWaalsContact NH1-OD2 3.11Å; F237-D242 HydrophobicContact CD2-CB 3.82Å; F237-D242 HydrophobicContact CE2-CB 3.71Å; S240-D242 PolarHBondContact O-N 2.78Å; S240-D242 WeakPolarHBondContact OG-CB 3.42Å; S240-D242 PolarHBondContact OG-N 3.46Å; S240-D242 PolarHBondContact OG-OD2 3.36Å
243S97.6Very high98.1Very high1 Ų152.3 Ų52.31%0.00728%0.282CS..G310 helixtrans-102.223176.662.90000113.1R191 F237 L238 S240 E241 Y245 I246R191-S243 WeakPolarHBondContact CD-O 3.3Å; R191-S243 VanDerWaalsContact CZ-OG 3.29Å; R191-S243 PolarHBondContact NH1-O 3.04Å; R191-S243 PolarHBondContact NH1-OG 2.82Å; R191-S243 PolarHBondContact NH2-OG 3.34Å; R191-S243 VanDerWaalsContact NH2-OG 3.09Å; F237-S243 WeakPolarHBondContact O-CB 3.25Å; F237-S243 PolarHBondContact O-OG 2.95Å; L238-S243 VanDerWaalsContact CA-OG 3.26Å; L238-S243 WeakPolarHBondContact CA-OG 3.33Å; L238-S243 PolarHBondContact O-OG 3.04Å; L238-S243 VanDerWaalsContact O-OG 3.06Å; S240-S243 PolarHBondContact O-OG 2.84Å; S240-S243 VanDerWaalsContact O-OG 3.08Å; E241-S243 PolarHBondContact O-N 3.36Å; E241-S243 VanDerWaalsContact O-N 3.08Å; S243-Y245 PolarHBondContact O-N 2.89Å; S243-I246 WeakPolarHBondContact O-CB 3.4Å; S243-I246 PolarHBondContact O-N 3.47Å
244G97.2Very high98.1Very high47 Ų4749.6 Ų49.649%0.48527%0.268SS..THydrogen-bonded Turntrans-57.2-20.7-172.700000115.8E241E241-G244 WeakPolarHBondContact O-CA 3.39Å; E241-G244 PolarHBondContact O-N 3.22Å
245Y98Very high98Very high236 Ų23650 Ų5093%0.92527%0.274SS*.THydrogen-bonded Turntrans-10710.4176.4-151-113.9000113.9S243S243-Y245 PolarHBondContact O-N 2.89Å
246I98.8Very high97.8Very high55 Ų5550.6 Ų50.628%0.28228%0.281SS..  trans-107.1112.3-179.2-54179.6000109.4R191 N193 F237 L238 S243 A249R191-I246 WeakPolarHBondContact CD-O 3.22Å; R191-I246 PolarHBondContact NH1-O 3.47Å; N193-I246 PolarHBondContact ND2-O 3.14Å; F237-I246 HydrophobicContact CE1-CD1 3.65Å; F237-I246 HydrophobicContact CZ-CD1 3.61Å; L238-I246 HydrophobicContact CD2-CG2 4.14Å; S243-I246 WeakPolarHBondContact O-CB 3.4Å; S243-I246 PolarHBondContact O-N 3.47Å; I246-A249 HydrophobicContact CG2-CB 3.56Å
247T98.8Very high97.5Very high66 Ų6650.7 Ų50.741%0.40528%0.281SS..  trans-145.5145.9172.5-164.90000109.9A182 R191 C192 N193 A249A182-T247 WeakPolarHBondContact CB-OG1 3.39Å; R191-T247 WeakPolarHBondContact CA-OG1 3.35Å; C192-T247 PolarHBondContact N-OG1 3.3Å; C192-T247 VanDerWaalsContact N-OG1 3.09Å; N193-T247 VanDerWaalsContact OD1-C 3.3Å; N193-T247 WeakPolarHBondContact OD1-CA 3.3Å; N193-T247 PolarHBondContact OD1-N 3.36Å; T247-A249 PolarHBondContact O-N 3.46Å
248G98.6Very high97Very high20 Ų2051 Ų5121%0.20628%0.282CS..SBendtrans74.18.5-174.900000114.2A182 C192 N193A182-G248 VanDerWaalsContact CB-CA 3.45Å; A182-G248 VanDerWaalsContact CB-N 3.33Å; C192-G248 WeakPolarHBondContact O-CA 3.49Å; C192-G248 PolarHBondContact O-N 2.96Å; N193-G248 PolarHBondContact OD1-N 2.87Å
249A98.7Very high95.8Very high28 Ų2860 Ų6023%0.23133%0.327CS..  trans-79.1154.7-177.400000112.5N193 S194 I246 T247N193-A249 WeakPolarHBondContact OD1-CB 3.39Å; N193-A249 PolarHBondContact OD1-N 3.2Å; S194-A249 PolarHBondContact N-O 3.24Å; S194-A249 PolarHBondContact OG-O 2.97Å; I246-A249 HydrophobicContact CG2-CB 3.56Å; T247-A249 PolarHBondContact O-N 3.46Å
250T98.1Very high95.6Very high47 Ų4762.6 Ų62.629%0.28834%0.339SS..EExtended strand (participates in β ladder)trans-121.3100.3175.4-610000106.5S194 L196S194-T250 PolarHBondContact OG-OG1 3.2Å; L196-T250 HydrophobicContact CD1-CG2 3.3Å; L196-T250 HydrophobicContact CD2-CG2 3.53Å; L196-T250 HydrophobicContact CG-CG2 4.01Å
251V98.5Very high95.5Very high47 Ų4765.7 Ų65.729%0.28536%0.356SS..EExtended strand (participates in β ladder)trans-96.5115.1-175.3-178.40000109.4S194 V195 L196 L238 V253S194-V251 PolarHBondContact O-N 3.08Å; V195-V251 CarbonylContact C-O 3.56Å; V195-V251 WeakPolarHBondContact CA-O 3.34Å; L196-V251 PolarHBondContact N-O 2.88Å; L238-V251 HydrophobicContact CD1-CG2 4.1Å; L238-V251 HydrophobicContact CD2-CG2 4.35Å; V251-V253 HydrophobicContact CG1-CG2 4.47Å
252E98.3Very high95.6Very high65 Ų6559.3 Ų59.330%0.30433%0.329SS..EExtended strand (participates in β ladder)trans-85.1125.4178.9-67.9177-16400110.5I155 K158 L196 T254I155-E252 HydrophobicContact CD1-CG 4.25Å; K158-E252 VanDerWaalsContact CD-OE1 3.27Å; K158-E252 WeakPolarHBondContact CD-OE1 3.36Å; K158-E252 WeakPolarHBondContact CE-OE1 3.19Å; K158-E252 IonicContact NZ-OE1 2.67Å; K158-E252 PolarHBondContact NZ-OE1 2.65Å; K158-E252 IonicContact NZ-OE2 3.21Å; L196-E252 HydrophobicContact CB-CG 4.21Å; L196-E252 HydrophobicContact CD2-CG 4.41Å; E252-T254 HydrophobicContact CB-CG2 4.03Å
253V98.3Very high95.5Very high26 Ų2656.9 Ų56.916%0.15832%0.317CS..EExtended strand (participates in β ladder)trans-119.575.8175.4-175.40000107.2V195 L196 P197 G198 D230 V231 A234 V251V195-V253 HydrophobicContact CG1-CB 4.49Å; V195-V253 HydrophobicContact CG1-CG2 3.75Å; L196-V253 PolarHBondContact O-N 3.18Å; P197-V253 CarbonylContact C-O 3.41Å; P197-V253 WeakPolarHBondContact CA-O 3.3Å; G198-V253 PolarHBondContact N-O 3.38Å; D230-V253 HydrophobicContact CB-CG1 4.05Å; V231-V253 HydrophobicContact CG2-CG1 4.2Å; A234-V253 HydrophobicContact CB-CG2 3.73Å; V251-V253 HydrophobicContact CG1-CG2 4.47Å
254T97.6Very high95.3Very high15 Ų1560.4 Ų60.49%0.09234%0.336CS..SBendtrans-123.2-0.8-16462.40000114.2I155 E252 G256 L257I155-T254 HydrophobicContact CB-CG2 3.88Å; I155-T254 HydrophobicContact CD1-CG2 3.98Å; I155-T254 HydrophobicContact CG1-CG2 3.9Å; E252-T254 HydrophobicContact CB-CG2 4.03Å; T254-G256 PolarHBondContact O-N 3.36Å; T254-G256 VanDerWaalsContact O-N 3.15Å; T254-G256 PolarHBondContact OG1-N 3.06Å; T254-L257 VanDerWaalsContact O-CB 3.26Å; T254-L257 WeakPolarHBondContact O-CB 3.23Å; T254-L257 PolarHBondContact O-N 2.91Å; T254-L257 PolarHBondContact OG1-N 3.27Å; T254-L257 PolarHBondContact OG1-O 3.04Å
255G97Very high95.2Very high25 Ų2561.3 Ų61.326%0.25833%0.326SS..THydrogen-bonded Turntrans59.419.7-169.200000113.4I220 P221 L222I220-G255 WeakPolarHBondContact CG2-O 3.28Å; P221-G255 VanDerWaalsContact CD-O 3.23Å; P221-G255 WeakPolarHBondContact CD-O 3.18Å; L222-G255 WeakPolarHBondContact CG-O 3.42Å; L222-G255 PolarHBondContact N-O 2.92Å; L222-G255 VanDerWaalsContact N-O 3.14Å
256G95.5Very high95Very high14 Ų1448.9 Ų48.914%0.14428%0.283CS..THydrogen-bonded Turntrans89.96.4-175.600000115.1P221 T254 F258 M259P221-G256 WeakPolarHBondContact CD-O 3.35Å; P221-G256 WeakPolarHBondContact CG-O 3.28Å; T254-G256 PolarHBondContact O-N 3.36Å; T254-G256 VanDerWaalsContact O-N 3.15Å; T254-G256 PolarHBondContact OG1-N 3.06Å; G256-F258 PolarHBondContact O-N 3.03Å; G256-M259 VanDerWaalsContact CA-CE 3.49Å; G256-M259 WeakPolarHBondContact CA-SD 3.19Å; G256-M259 WeakPolarHBondContact O-CE 3.48Å; G256-M259 WeakPolarHBondContact O-CG 3Å
257L92.6Very high94.7Very high2 Ų248.4 Ų48.41%0.0128%0.283CS..THydrogen-bonded Turntrans-66.9128.3176.9-17270.1000110.9F199 M219 I220 T254F199-L257 HydrophobicContact CD2-CD2 3.42Å; F199-L257 VanDerWaalsContact CD2-CD2 3.42Å; F199-L257 HydrophobicContact CE2-CD2 3.71Å; M219-L257 HydrophobicContact CB-CD1 3.54Å; M219-L257 WeakPolarHBondContact O-CD1 3.47Å; I220-L257 HydrophobicContact CG1-CB 4.14Å; I220-L257 HydrophobicContact CG1-CD1 4.05Å; I220-L257 HydrophobicContact CG1-CD2 4.31Å; I220-L257 HydrophobicContact CG1-CG 4.4Å; T254-L257 VanDerWaalsContact O-CB 3.26Å; T254-L257 WeakPolarHBondContact O-CB 3.23Å; T254-L257 PolarHBondContact O-N 2.91Å; T254-L257 PolarHBondContact OG1-N 3.27Å; T254-L257 PolarHBondContact OG1-O 3.04Å
258F87.7Confident94.4Very high85 Ų8546.9 Ų46.937%0.37327%0.273SS..THydrogen-bonded Turntrans62.131.8-179.6-51.4-59.9000115.9I155 V159 G256I155-F258 HydrophobicContact CG1-CB 4.21Å; I155-F258 HydrophobicContact CG1-CD2 3.89Å; I155-F258 HydrophobicContact CG2-CD2 4.26Å; V159-F258 HydrophobicContact CG1-CB 3.95Å; V159-F258 HydrophobicContact CG1-CG 4.32Å; V159-F258 HydrophobicContact CG2-CB 4.46Å; V159-F258 HydrophobicContact CG2-CD2 3.68Å; V159-F258 HydrophobicContact CG2-CE2 3.97Å; V159-F258 HydrophobicContact CG2-CG 4.01Å; G256-F258 PolarHBondContact O-N 3.03Å
259M72Confident94Very high189 Ų18949.4 Ų49.493%0.93128%0.279SS*.  trans-64.70166.4-69.4-176-53.500112.5P221 G256P221-M259 HydrophobicContact CG-CE 3.93Å; G256-M259 VanDerWaalsContact CA-CE 3.49Å; G256-M259 WeakPolarHBondContact CA-SD 3.19Å; G256-M259 WeakPolarHBondContact O-CE 3.48Å; G256-M259 WeakPolarHBondContact O-CG 3Å

Retrieved 259 of 259 residues in 102.3 ms (Link to these results)

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