A0A077Z0S4_TRITR Loading...

Acetyltransferase component of pyruvate dehydrogenase complex

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2).

AlphaFold DB , UniProt , Accession A0A077Z0S4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 417 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
1M59.2Low74.4Confident130 Ų13062.2 Ų62.264%0.6431%0.306SS*.  01200-81.4170164.500106.4T28 K30M1-T28 HydrophobicContact CE-CG2 4.41Å; M1-T28 HydrophobicContact SD-CG2 4.4Å; M1-K30 HydrophobicContact CE-CB 3.76Å; M1-K30 HydrophobicContact CE-CG 3.53Å
2E66Low74.7Confident149 Ų14970.2 Ų70.270%0.69634%0.337SS*.  trans-102.7-24.8-175.7-70.6177.1168.600112.7P56 V57E2-P56 WeakPolarHBondContact O-CA 3.34Å; E2-V57 PolarHBondContact O-N 3.18Å
3K75.4Confident74.8Confident114 Ų11473.1 Ų73.150%0.49635%0.35SS..EExtended strand (participates in β ladder)trans-148.6154-173.9-52.3-175.3-177.7-174.70112D54 V55K3-D54 HydrophobicContact CD-CB 4.15Å; K3-V55 CarbonylContact C-O 3.57Å; K3-V55 VanDerWaalsContact CA-O 3.24Å; K3-V55 WeakPolarHBondContact CA-O 3.42Å
4G74Confident74.7Confident11 Ų1170.4 Ų70.411%0.11335%0.352CS..EExtended strand (participates in β ladder)trans-144.5163.8174.600000112.5V55G4-V55 PolarHBondContact N-O 2.71Å; G4-V55 WeakPolarHBondContact O-CB 3.37Å; G4-V55 PolarHBondContact O-N 2.69Å
5N77.5Confident74.9Confident16 Ų1669.9 Ų69.99%0.08635%0.35CS..EExtended strand (participates in β ladder)trans-111.5136.5179.4-59.2-30000109.9V7 I26 E27 A52 K53 D54 N197N5-V7 PolarHBondContact O-N 3.41Å; N5-I26 CarbonylContact O-C 3.48Å; N5-I26 WeakPolarHBondContact O-CA 3.25Å; N5-E27 PolarHBondContact N-O 3.26Å; N5-E27 PolarHBondContact O-N 3.5Å; N5-A52 WeakPolarHBondContact CA-O 3.38Å; N5-K53 VanDerWaalsContact OD1-CA 3.28Å; N5-K53 WeakPolarHBondContact OD1-CA 3.46Å; N5-D54 PolarHBondContact OD1-N 2.93Å; N5-N197 VanDerWaalsContact ND2-CG 3.32Å; N5-N197 PolarHBondContact ND2-OD1 3.27Å
6V78.6Confident75Confident3 Ų373.8 Ų73.82%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-87.4109.2174.7-1760000108.5C24 V48 G51 A52 L61V6-C24 HydrophobicContact CG1-CB 4.28Å; V6-V48 HydrophobicContact CG2-CG1 3.79Å; V6-G51 VanDerWaalsContact O-CA 3.27Å; V6-G51 WeakPolarHBondContact O-CA 3.35Å; V6-G51 PolarHBondContact O-N 3.29Å; V6-A52 PolarHBondContact N-O 2.83Å; V6-L61 HydrophobicContact CG2-CD2 4.03Å
7V74.9Confident75.3Confident64 Ų6469.6 Ų69.639%0.38835%0.346SS..EExtended strand (participates in β ladder)trans-75.5-51.8-174.7-177.20000110.8N5 E25 E27N5-V7 PolarHBondContact O-N 3.41Å; V7-E25 HydrophobicContact CB-CB 4.29Å; V7-E25 WeakPolarHBondContact CB-O 3.34Å; V7-E25 PolarHBondContact N-O 3.27Å; V7-E27 HydrophobicContact CG2-CB 3.36Å
8S78.8Confident75.3Confident29 Ų2968.3 Ų68.320%0.20335%0.349CS..EExtended strand (participates in β ladder)trans-157.2145.2179.960.90000110.6C24 E25S8-C24 WeakPolarHBondContact O-CA 3.38Å; S8-C24 WeakPolarHBondContact O-CB 3.47Å; S8-E25 PolarHBondContact O-N 3Å
9W78.5Confident75.5Confident16 Ų1672.4 Ų72.46%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-92.6131.8168.7-76.892.4000108M23 C24 L43 I46 V48 E50 L61 C62W9-M23 HydrophobicContact CZ3-CB 4.19Å; W9-C24 HydrophobicContact CD2-CB 3.72Å; W9-C24 HydrophobicContact CE3-CB 3.71Å; W9-C24 HydrophobicContact CG-CB 4.12Å; W9-C24 HydrophobicContact CZ3-CB 4.15Å; W9-L43 HydrophobicContact CE3-CD2 4.44Å; W9-L43 HydrophobicContact CZ3-CD1 4.46Å; W9-L43 HydrophobicContact CZ3-CD2 4.41Å; W9-I46 HydrophobicContact CB-CD1 4.35Å; W9-I46 HydrophobicContact CD2-CD1 3.84Å; W9-I46 HydrophobicContact CD2-CG1 4.17Å; W9-I46 HydrophobicContact CD2-CG2 4.31Å; W9-I46 HydrophobicContact CE3-CD1 4.16Å; W9-I46 HydrophobicContact CE3-CG1 4.31Å; W9-I46 HydrophobicContact CG-CD1 3.93Å; W9-I46 HydrophobicContact CH2-CG1 4.49Å; W9-I46 HydrophobicContact CZ2-CG1 4.31Å; W9-I46 HydrophobicContact CZ2-CG2 3.74Å; W9-I46 HydrophobicContact CZ3-CG1 4.47Å; W9-V48 PolarHBondContact NE1-O 3.03Å; W9-E50 HydrophobicContact CB-CG 3.97Å; W9-E50 WeakPolarHBondContact CB-OE1 3.45Å; W9-E50 VanDerWaalsContact CD1-CG 3.45Å; W9-E50 HydrophobicContact CG-CG 4.09Å; W9-E50 PolarHBondContact N-OE1 3.46Å; W9-L61 HydrophobicContact CH2-CD2 3.91Å; W9-L61 HydrophobicContact CZ2-CD2 3.63Å; W9-C62 HydrophobicContact CH2-CB 3.67Å; W9-C62 HydrophobicContact CZ2-CB 4.41Å; W9-C62 HydrophobicContact CZ3-CB 4.32Å
10K78.8Confident75.5Confident111 Ų11170.9 Ų70.948%0.48337%0.37SS..SBendtrans-89.8-19.6173.9-60.8-61.4-175.8-170.80111.8L22 M23 E25K10-L22 HydrophobicContact CG-CD2 4.25Å; K10-L22 HydrophobicContact CG-CG 4.48Å; K10-M23 PolarHBondContact N-O 3.41Å; K10-E25 WeakPolarHBondContact CE-OE1 3.49Å; K10-E25 IonicContact NZ-OE1 3.36Å; K10-E25 PolarHBondContact NZ-OE1 2.75Å
11K76.5Confident75.8Confident41 Ų4170.1 Ų70.118%0.17837%0.366CS..SBendtrans-112142.9178.6-66.6-70.5-176.6155.90110.8D15 Q16 D21 M23 L43K11-D15 HydrophobicContact CB-CB 4.47Å; K11-D15 HydrophobicContact CD-CB 4Å; K11-Q16 PolarHBondContact NZ-O 3.38Å; K11-Q16 VanDerWaalsContact NZ-O 3.1Å; K11-D21 VanDerWaalsContact CE-CG 3.5Å; K11-D21 WeakPolarHBondContact CE-OD2 3.44Å; K11-D21 IonicContact NZ-OD2 3.75Å; K11-D21 PolarHBondContact NZ-OD2 3Å; K11-M23 PolarHBondContact N-O 2.78Å; K11-L43 HydrophobicContact CB-CD2 4.21Å
12K77.7Confident76.8Confident158 Ų15866.6 Ų66.669%0.68735%0.35SS*.  trans-101.7159.7177.8-63.3179.8-177.2179.30110.6G14 D15K12-G14 PolarHBondContact O-N 3.39Å; K12-D15 PolarHBondContact N-OD2 3.41Å; K12-D15 WeakPolarHBondContact O-CB 3.36Å; K12-D15 PolarHBondContact O-N 3.05Å
13E76.2Confident77.5Confident108 Ų10859.8 Ų59.851%0.50532%0.318SS..THydrogen-bonded Turntrans-56125.5171.7-59-177.8159.600109.6L43 I46E13-L43 CarbonylContact C-O 3.58Å; E13-L43 WeakPolarHBondContact CA-O 3.29Å; E13-I46 HydrophobicContact CG-CB 4.34Å; E13-I46 HydrophobicContact CG-CD1 4.08Å; E13-I46 HydrophobicContact CG-CG1 3.95Å; E13-I46 PolarHBondContact OE1-N 3.26Å
14G73.5Confident77.6Confident36 Ų3654.3 Ų54.337%0.37129%0.294SS..THydrogen-bonded Turntrans96.1-9.8-174.300000115.6K12 L43K12-G14 PolarHBondContact O-N 3.39Å; G14-L43 PolarHBondContact N-O 3.02Å
15D77.6Confident77.8Confident62 Ų6256.4 Ų56.433%0.33230%0.301SS..  trans-71.6141.7178.8-76.3-18.8000111.6K11 K12 Y42 L43K11-D15 HydrophobicContact CB-CB 4.47Å; K11-D15 HydrophobicContact CD-CB 4Å; K12-D15 PolarHBondContact N-OD2 3.41Å; K12-D15 WeakPolarHBondContact O-CB 3.36Å; K12-D15 PolarHBondContact O-N 3.05Å; D15-Y42 WeakPolarHBondContact O-CA 3.32Å; D15-L43 PolarHBondContact O-N 2.86Å
16Q77Confident78Confident133 Ų13357.1 Ų57.162%0.62130%0.304SS*.EExtended strand (participates in β ladder)trans-72.9134.7169.6-166.2176.74.400109.9K11 G41 Y42K11-Q16 PolarHBondContact NZ-O 3.38Å; K11-Q16 VanDerWaalsContact NZ-O 3.1Å; Q16-G41 WeakPolarHBondContact CA-O 3.5Å; Q16-Y42 HydrophobicContact CB-CD1 4.07Å; Q16-Y42 HydrophobicContact CB-CE1 3.74Å; Q16-Y42 HydrophobicContact CG-CD1 4.46Å; Q16-Y42 HydrophobicContact CG-CE1 3.99Å
17I80.2Confident77.9Confident2 Ų260 Ų601%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-119.9131.2-178.4-59.7159.4000107.5D21 M23 A37 E40 G41 L43 V64I17-D21 HydrophobicContact CG2-CB 4.3Å; I17-M23 HydrophobicContact CD1-SD 3.34Å; I17-M23 WeakPolarHBondContact CD1-SD 3.24Å; I17-M23 HydrophobicContact CG1-SD 4.04Å; I17-M23 HydrophobicContact CG2-CG 4.39Å; I17-M23 HydrophobicContact CG2-SD 4.02Å; I17-A37 HydrophobicContact CG2-CB 3.1Å; I17-E40 WeakPolarHBondContact O-CA 3.43Å; I17-G41 PolarHBondContact N-O 2.77Å; I17-G41 PolarHBondContact O-N 2.81Å; I17-L43 HydrophobicContact CD1-CB 3.66Å; I17-L43 HydrophobicContact CD1-CD1 3.94Å; I17-L43 HydrophobicContact CD1-CG 4.33Å; I17-V64 HydrophobicContact CD1-CG1 4.42Å; I17-V64 HydrophobicContact CD1-CG2 4.21Å
18A75.4Confident78Confident47 Ų4757.8 Ų57.839%0.38830%0.304SS..  trans-104.8160.3171.700000110.2G20 D21A18-G20 PolarHBondContact O-N 3.48Å; A18-D21 VanDerWaalsContact O-CB 3.25Å; A18-D21 WeakPolarHBondContact O-CB 3.43Å; A18-D21 PolarHBondContact O-N 2.95Å
19E77.8Confident77.4Confident145 Ų14559.4 Ų59.468%0.67831%0.311SS*.THydrogen-bonded Turntrans-58.2126.5174.2-170.5-178.1170.300110E40E19-E40 HydrophobicContact CB-CG 4.18Å
20G77Confident77.1Confident43 Ų4362.2 Ų62.244%0.44332%0.323SS..THydrogen-bonded Turntrans85.43-176.400000115.5A18 A37A18-G20 PolarHBondContact O-N 3.48Å; G20-A37 PolarHBondContact N-O 3.4Å
21D80.2Confident76.6Confident54 Ų5459 Ų5929%0.28932%0.317SS..  trans-76.6139.1177.1-159.2-3.9000111.8K11 I17 A18 M23 E36 A37K11-D21 VanDerWaalsContact CE-CG 3.5Å; K11-D21 WeakPolarHBondContact CE-OD2 3.44Å; K11-D21 IonicContact NZ-OD2 3.75Å; K11-D21 PolarHBondContact NZ-OD2 3Å; I17-D21 HydrophobicContact CG2-CB 4.3Å; A18-D21 VanDerWaalsContact O-CB 3.25Å; A18-D21 WeakPolarHBondContact O-CB 3.43Å; A18-D21 PolarHBondContact O-N 2.95Å; D21-M23 PolarHBondContact O-N 3.23Å; D21-E36 CarbonylContact O-C 3.18Å; D21-E36 VanDerWaalsContact O-CA 3.29Å; D21-E36 WeakPolarHBondContact O-CA 3.17Å; D21-A37 PolarHBondContact O-N 3.16Å
22L82Confident76.6Confident57 Ų5760.8 Ų60.830%0.29833%0.332SS..EExtended strand (participates in β ladder)trans-78109.7-176.5-17969.6000110.2K10 E36K10-L22 HydrophobicContact CG-CD2 4.25Å; K10-L22 HydrophobicContact CG-CG 4.48Å; L22-E36 HydrophobicContact CD1-CG 4.41Å
23M78.9Confident76.7Confident5 Ų558.1 Ų58.13%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-84.3-50.7-176.8-64-133.1-68.200112.9W9 K10 K11 I17 D21 F35 A37 L43 C62 V64W9-M23 HydrophobicContact CZ3-CB 4.19Å; K10-M23 PolarHBondContact N-O 3.41Å; K11-M23 PolarHBondContact N-O 2.78Å; I17-M23 HydrophobicContact CD1-SD 3.34Å; I17-M23 WeakPolarHBondContact CD1-SD 3.24Å; I17-M23 HydrophobicContact CG1-SD 4.04Å; I17-M23 HydrophobicContact CG2-CG 4.39Å; I17-M23 HydrophobicContact CG2-SD 4.02Å; D21-M23 PolarHBondContact O-N 3.23Å; M23-F35 HydrophobicContact CB-CD1 4.47Å; M23-F35 HydrophobicContact CE-CD1 4.22Å; M23-F35 HydrophobicContact CE-CE1 4.01Å; M23-F35 PolarHBondContact N-O 3.49Å; M23-A37 HydrophobicContact CG-CB 3.85Å; M23-A37 HydrophobicContact SD-CB 4.03Å; M23-L43 HydrophobicContact SD-CD1 4.32Å; M23-C62 VanDerWaalsContact CE-SG 3.56Å; M23-V64 HydrophobicContact CE-CG2 4.46Å
24C78.3Confident76.9Confident0 Ų055.2 Ų55.20%032%0.322CS..EExtended strand (participates in β ladder)trans-151.9159.5-178.964.30000112.2V6 S8 W9 F35V6-C24 HydrophobicContact CG1-CB 4.28Å; S8-C24 WeakPolarHBondContact O-CA 3.38Å; S8-C24 WeakPolarHBondContact O-CB 3.47Å; W9-C24 HydrophobicContact CD2-CB 3.72Å; W9-C24 HydrophobicContact CE3-CB 3.71Å; W9-C24 HydrophobicContact CG-CB 4.12Å; W9-C24 HydrophobicContact CZ3-CB 4.15Å; C24-F35 PolarHBondContact O-N 2.96Å
25E79.1Confident77.2Confident55 Ų5557.5 Ų57.526%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-99119.3173.1-70.1175.6-157.500109.1V7 S8 K10 T32V7-E25 HydrophobicContact CB-CB 4.29Å; V7-E25 WeakPolarHBondContact CB-O 3.34Å; V7-E25 PolarHBondContact N-O 3.27Å; S8-E25 PolarHBondContact O-N 3Å; K10-E25 WeakPolarHBondContact CE-OE1 3.49Å; K10-E25 IonicContact NZ-OE1 3.36Å; K10-E25 PolarHBondContact NZ-OE1 2.75Å; E25-T32 HydrophobicContact CB-CG2 4.03Å
26I80.5Confident77.5Confident31 Ų3160 Ų6016%0.15933%0.332CS..EExtended strand (participates in β ladder)trans-104.5117.1178.5-58178000108.5N5 T28 T32 M33 F35 L61N5-I26 CarbonylContact O-C 3.48Å; N5-I26 WeakPolarHBondContact O-CA 3.25Å; I26-T28 HydrophobicContact CG2-CG2 4.38Å; I26-T32 WeakPolarHBondContact O-CA 2.87Å; I26-M33 PolarHBondContact N-O 3.21Å; I26-M33 PolarHBondContact O-N 3.29Å; I26-F35 HydrophobicContact CD1-CB 3.9Å; I26-F35 HydrophobicContact CD1-CD2 4.28Å; I26-F35 HydrophobicContact CD1-CG 4.22Å; I26-F35 HydrophobicContact CG1-CB 4.34Å; I26-L61 HydrophobicContact CD1-CD1 4.16Å
27E76.4Confident77.4Confident62 Ų6254.1 Ų54.129%0.2931%0.305SS..EExtended strand (participates in β ladder)trans-87.4118.4172.1-173.7-171.2149.100109.6N5 V7 N197N5-E27 PolarHBondContact N-O 3.26Å; N5-E27 PolarHBondContact O-N 3.5Å; V7-E27 HydrophobicContact CG2-CB 3.36Å; E27-N197 PolarHBondContact OE1-ND2 2.96Å; E27-N197 VanDerWaalsContact OE1-ND2 3.1Å
28T77.9Confident77.2Confident18 Ų1858.2 Ų58.211%0.1133%0.334CS..  trans-101.7175.917166.10000110.2M1 I26 K30 A31M1-T28 HydrophobicContact CE-CG2 4.41Å; M1-T28 HydrophobicContact SD-CG2 4.4Å; I26-T28 HydrophobicContact CG2-CG2 4.38Å; T28-K30 PolarHBondContact O-N 3.45Å; T28-K30 VanDerWaalsContact O-N 3.07Å; T28-K30 PolarHBondContact OG1-N 2.95Å; T28-A31 PolarHBondContact N-O 3.09Å; T28-A31 PolarHBondContact OG1-N 3.09Å; T28-A31 PolarHBondContact OG1-O 3.11Å
29D66.6Low77.2Confident63 Ų6361.7 Ų61.734%0.33735%0.346SS..SBendtrans-63.8-1017569.5-40.4000114.1V201D29-V201 HydrophobicContact CB-CG2 4.15Å
30K71.3Confident77.1Confident76 Ų7661.4 Ų61.433%0.3335%0.345SS..SBendtrans-114.8-35.7-176.1-58.3-57.5178173.70114.3M1 T28 Q330M1-K30 HydrophobicContact CE-CB 3.76Å; M1-K30 HydrophobicContact CE-CG 3.53Å; T28-K30 PolarHBondContact O-N 3.45Å; T28-K30 VanDerWaalsContact O-N 3.07Å; T28-K30 PolarHBondContact OG1-N 2.95Å; K30-Q330 VanDerWaalsContact NZ-CD 3.27Å; K30-Q330 VanDerWaalsContact NZ-NE2 3.11Å
31A69.4Low77.2Confident43 Ų4359.7 Ų59.736%0.35533%0.327SS..  trans-165158.5-174.700000111.1T28 M33T28-A31 PolarHBondContact N-O 3.09Å; T28-A31 PolarHBondContact OG1-N 3.09Å; T28-A31 PolarHBondContact OG1-O 3.11Å; A31-M33 HydrophobicContact CB-CE 4.35Å; A31-M33 HydrophobicContact CB-CG 4.47Å
32T75.6Confident77Confident79 Ų7960.1 Ų60.149%0.48533%0.325SS..EExtended strand (participates in β ladder)trans-81.7120.2160.3-48.70000108.1E25 I26E25-T32 HydrophobicContact CB-CG2 4.03Å; I26-T32 WeakPolarHBondContact O-CA 2.87Å
33M80.8Confident76.7Confident102 Ų10257.4 Ų57.450%0.50231%0.311SS..EExtended strand (participates in β ladder)trans-114.2139.4177.2-65.5-178.9-179.700109.2I26 A31I26-M33 PolarHBondContact N-O 3.21Å; I26-M33 PolarHBondContact O-N 3.29Å; A31-M33 HydrophobicContact CB-CE 4.35Å; A31-M33 HydrophobicContact CB-CG 4.47Å
34G79.1Confident76.3Confident46 Ų4657.3 Ų57.347%0.47431%0.311SS..EExtended strand (participates in β ladder)trans-76.7131.4169.600000110.4
35F79.8Confident76Confident85 Ų8559 Ų5937%0.37332%0.318SS..EExtended strand (participates in β ladder)trans-94.2109.9169.4-171.1-100.8000108.7M23 C24 I26M23-F35 HydrophobicContact CB-CD1 4.47Å; M23-F35 HydrophobicContact CE-CD1 4.22Å; M23-F35 HydrophobicContact CE-CE1 4.01Å; M23-F35 PolarHBondContact N-O 3.49Å; C24-F35 PolarHBondContact O-N 2.96Å; I26-F35 HydrophobicContact CD1-CB 3.9Å; I26-F35 HydrophobicContact CD1-CD2 4.28Å; I26-F35 HydrophobicContact CD1-CG 4.22Å; I26-F35 HydrophobicContact CG1-CB 4.34Å
36E83.6Confident75.8Confident115 Ų11557.9 Ų57.954%0.53731%0.313SS..EExtended strand (participates in β ladder)trans-92.2146.3178.9-66.2172.1-172.800110.4D21 L22D21-E36 CarbonylContact O-C 3.18Å; D21-E36 VanDerWaalsContact O-CA 3.29Å; D21-E36 WeakPolarHBondContact O-CA 3.17Å; L22-E36 HydrophobicContact CD1-CG 4.41Å
37A75.6Confident75.5Confident8 Ų857.8 Ų57.87%0.06631%0.314CS..  trans-73.5132.1177.100000111.5I17 G20 D21 M23I17-A37 HydrophobicContact CG2-CB 3.1Å; G20-A37 PolarHBondContact N-O 3.4Å; D21-A37 PolarHBondContact O-N 3.16Å; M23-A37 HydrophobicContact CG-CB 3.85Å; M23-A37 HydrophobicContact SD-CB 4.03Å
38S76.7Confident75.4Confident88 Ų8855.1 Ų55.162%0.61530%0.302SS*.SBendtrans-85.8-20.2175.1-51.20000113.1
39D75.2Confident75.1Confident121 Ų12158.3 Ų58.365%0.64732%0.323SS*.SBendtrans-127.3149-172.5-57.2-51.1000110.7
40E75.4Confident75.5Confident139 Ų13961.2 Ų61.265%0.6534%0.335SS*.  trans-83.9134.2172.7-59.8-171158.700110.6I17 E19I17-E40 WeakPolarHBondContact O-CA 3.43Å; E19-E40 HydrophobicContact CB-CG 4.18Å
41G79.9Confident75.4Confident6 Ų659.7 Ų59.76%0.06234%0.341CS..EExtended strand (participates in β ladder)trans170.7-158.9-179.700000113.8Q16 I17 V65Q16-G41 WeakPolarHBondContact CA-O 3.5Å; I17-G41 PolarHBondContact N-O 2.77Å; I17-G41 PolarHBondContact O-N 2.81Å; G41-V65 CarbonylContact C-O 3.51Å; G41-V65 WeakPolarHBondContact CA-O 3.23Å
42Y75.5Confident75.4Confident63 Ų6358.7 Ų58.725%0.24733%0.333CS..EExtended strand (participates in β ladder)trans-118136.3177.9-65.3-89.9000110.4D15 Q16 A44 V64 V65 A68D15-Y42 WeakPolarHBondContact O-CA 3.32Å; Q16-Y42 HydrophobicContact CB-CD1 4.07Å; Q16-Y42 HydrophobicContact CB-CE1 3.74Å; Q16-Y42 HydrophobicContact CG-CD1 4.46Å; Q16-Y42 HydrophobicContact CG-CE1 3.99Å; Y42-A44 PolarHBondContact O-N 2.89Å; Y42-V64 WeakPolarHBondContact O-CA 3.24Å; Y42-V65 PolarHBondContact N-O 2.85Å; Y42-V65 PolarHBondContact O-N 2.85Å; Y42-A68 HydrophobicContact CD1-CB 4.3Å; Y42-A68 HydrophobicContact CD2-CB 4.12Å; Y42-A68 HydrophobicContact CE1-CB 4.15Å; Y42-A68 HydrophobicContact CE2-CB 3.96Å; Y42-A68 HydrophobicContact CG-CB 4.28Å
43L75.1Confident75.2Confident0 Ų059.6 Ų59.60%033%0.33CS..EExtended strand (participates in β ladder)trans-70.998.7177.6-166.365.3000109.7W9 K11 E13 G14 D15 I17 M23 I46 C62 V64W9-L43 HydrophobicContact CE3-CD2 4.44Å; W9-L43 HydrophobicContact CZ3-CD1 4.46Å; W9-L43 HydrophobicContact CZ3-CD2 4.41Å; K11-L43 HydrophobicContact CB-CD2 4.21Å; E13-L43 CarbonylContact C-O 3.58Å; E13-L43 WeakPolarHBondContact CA-O 3.29Å; G14-L43 PolarHBondContact N-O 3.02Å; D15-L43 PolarHBondContact O-N 2.86Å; I17-L43 HydrophobicContact CD1-CB 3.66Å; I17-L43 HydrophobicContact CD1-CD1 3.94Å; I17-L43 HydrophobicContact CD1-CG 4.33Å; M23-L43 HydrophobicContact SD-CD1 4.32Å; L43-I46 HydrophobicContact CD2-CD1 3.98Å; L43-I46 HydrophobicContact CD2-CG1 3.79Å; L43-I46 HydrophobicContact CG-CG1 4.42Å; L43-C62 HydrophobicContact CD1-CB 3.67Å; L43-V64 HydrophobicContact CD1-CG2 4.21Å
44A71.3Confident74.7Confident3 Ų358.3 Ų58.33%0.02533%0.325CS..EExtended strand (participates in β ladder)trans-67.5-48.8-176.600000112.1Y42 I63 V65 F74Y42-A44 PolarHBondContact O-N 2.89Å; A44-I63 HydrophobicContact CB-CB 4.14Å; A44-I63 HydrophobicContact CB-CG2 3.99Å; A44-I63 WeakPolarHBondContact CB-O 3.37Å; A44-I63 PolarHBondContact N-O 3.1Å; A44-V65 HydrophobicContact CB-CG1 4.38Å; A44-V65 HydrophobicContact CB-CG2 3.58Å; A44-F74 HydrophobicContact CB-CB 4.11Å; A44-F74 HydrophobicContact CB-CD2 4.39Å
45K70.6Confident74.4Confident37 Ų3757 Ų5716%0.16131%0.308CS..EExtended strand (participates in β ladder)trans-159.6138.9-176.9-172.4161.2-173.3168.50112.8C62 I63 F74 A75 V77K45-C62 CarbonylContact O-C 3.51Å; K45-C62 VanDerWaalsContact O-CA 3.23Å; K45-C62 WeakPolarHBondContact O-CA 3.41Å; K45-C62 WeakPolarHBondContact O-CB 2.89Å; K45-I63 PolarHBondContact N-O 2.78Å; K45-I63 PolarHBondContact O-N 3.22Å; K45-F74 VanDerWaalsContact CD-O 3.24Å; K45-F74 WeakPolarHBondContact CD-O 3.36Å; K45-A75 PolarHBondContact NZ-O 3Å; K45-V77 WeakPolarHBondContact CD-O 3.45Å; K45-V77 WeakPolarHBondContact CE-O 3.25Å; K45-V77 PolarHBondContact NZ-O 3.34Å
46I75.6Confident74.2Confident30 Ų3055.8 Ų55.815%0.15431%0.308CS..EExtended strand (participates in β ladder)trans-89.3108.4170.7-65.2170.5000107.7W9 E13 L43 V48W9-I46 HydrophobicContact CB-CD1 4.35Å; W9-I46 HydrophobicContact CD2-CD1 3.84Å; W9-I46 HydrophobicContact CD2-CG1 4.17Å; W9-I46 HydrophobicContact CD2-CG2 4.31Å; W9-I46 HydrophobicContact CE3-CD1 4.16Å; W9-I46 HydrophobicContact CE3-CG1 4.31Å; W9-I46 HydrophobicContact CG-CD1 3.93Å; W9-I46 HydrophobicContact CH2-CG1 4.49Å; W9-I46 HydrophobicContact CZ2-CG1 4.31Å; W9-I46 HydrophobicContact CZ2-CG2 3.74Å; W9-I46 HydrophobicContact CZ3-CG1 4.47Å; E13-I46 HydrophobicContact CG-CB 4.34Å; E13-I46 HydrophobicContact CG-CD1 4.08Å; E13-I46 HydrophobicContact CG-CG1 3.95Å; E13-I46 PolarHBondContact OE1-N 3.26Å; L43-I46 HydrophobicContact CD2-CD1 3.98Å; L43-I46 HydrophobicContact CD2-CG1 3.79Å; L43-I46 HydrophobicContact CG-CG1 4.42Å; I46-V48 WeakPolarHBondContact CG2-O 3.35Å
47V74.4Confident73.5Confident29 Ų2955.4 Ų55.418%0.17631%0.314CS..SBendtrans-80.3-29.3179.1177.70000110.9L60 L61 I63 A79V47-L60 HydrophobicContact CB-CD2 4.01Å; V47-L60 HydrophobicContact CG1-CD2 4.21Å; V47-L60 HydrophobicContact CG2-CD2 3.53Å; V47-L61 PolarHBondContact N-O 2.7Å; V47-L61 VanDerWaalsContact N-O 3.1Å; V47-I63 HydrophobicContact CG2-CG1 4.4Å; V47-A79 HydrophobicContact CG1-CB 4.15Å
48V73.4Confident73.4Confident7 Ų759 Ų594%0.04235%0.351CS..SBendtrans-110.8101.9178.3176.90000109.1V6 W9 I46 A52 V55 L60 L61V6-V48 HydrophobicContact CG2-CG1 3.79Å; W9-V48 PolarHBondContact NE1-O 3.03Å; I46-V48 WeakPolarHBondContact CG2-O 3.35Å; V48-A52 HydrophobicContact CG1-CB 3.36Å; V48-V55 HydrophobicContact CG1-CG1 4.41Å; V48-V55 HydrophobicContact CG1-CG2 3.58Å; V48-V55 HydrophobicContact CG2-CG1 4.31Å; V48-L60 WeakPolarHBondContact CG2-O 3.36Å; V48-L61 PolarHBondContact N-O 3.19Å
49P73.3Confident73.4Confident84 Ų8459 Ų5955%0.54534%0.34SS..  trans-65.1162.7-174.426.3-34.1000112.7G51 A52P49-G51 PolarHBondContact O-N 2.63Å; P49-A52 HydrophobicContact CG-CB 4.49Å; P49-A52 WeakPolarHBondContact O-CB 3.33Å; P49-A52 PolarHBondContact O-N 3.1Å; P49-A52 VanDerWaalsContact O-N 3.1Å
50E74.2Confident73.6Confident124 Ų12457.4 Ų57.458%0.57933%0.331SS*.THydrogen-bonded Turntrans-51.6134.6171.1-70.9-173.7155.200111.2W9 A52W9-E50 HydrophobicContact CB-CG 3.97Å; W9-E50 WeakPolarHBondContact CB-OE1 3.45Å; W9-E50 VanDerWaalsContact CD1-CG 3.45Å; W9-E50 HydrophobicContact CG-CG 4.09Å; W9-E50 PolarHBondContact N-OE1 3.46Å; E50-A52 VanDerWaalsContact C-N 3.28Å; E50-A52 PolarHBondContact O-N 3.17Å
51G70.1Confident73.6Confident45 Ų4552.4 Ų52.446%0.46431%0.308SS..THydrogen-bonded Turntrans79.53.2-178.800000114.8V6 P49 K53V6-G51 VanDerWaalsContact O-CA 3.27Å; V6-G51 WeakPolarHBondContact O-CA 3.35Å; V6-G51 PolarHBondContact O-N 3.29Å; P49-G51 PolarHBondContact O-N 2.63Å; G51-K53 WeakPolarHBondContact O-CG 3.28Å; G51-K53 PolarHBondContact O-N 3.44Å
52A69.1Low73.3Confident22 Ų2253.1 Ų53.118%0.18231%0.313CS..  trans-61.2124.8174.100000110.9N5 V6 V48 P49 E50 V55N5-A52 WeakPolarHBondContact CA-O 3.38Å; V6-A52 PolarHBondContact N-O 2.83Å; V48-A52 HydrophobicContact CG1-CB 3.36Å; P49-A52 HydrophobicContact CG-CB 4.49Å; P49-A52 WeakPolarHBondContact O-CB 3.33Å; P49-A52 PolarHBondContact O-N 3.1Å; P49-A52 VanDerWaalsContact O-N 3.1Å; E50-A52 VanDerWaalsContact C-N 3.28Å; E50-A52 PolarHBondContact O-N 3.17Å; A52-V55 HydrophobicContact CB-CG2 4.08Å
53K71Confident73.3Confident98 Ų9851.4 Ų51.443%0.42631%0.307SS..  trans-101.3153.2-176.5-56.9-174-176.5-179.80111.4N5 G51 V55 E194N5-K53 VanDerWaalsContact OD1-CA 3.28Å; N5-K53 WeakPolarHBondContact OD1-CA 3.46Å; G51-K53 WeakPolarHBondContact O-CG 3.28Å; G51-K53 PolarHBondContact O-N 3.44Å; K53-V55 VanDerWaalsContact C-N 3.3Å; K53-V55 PolarHBondContact O-N 2.93Å; K53-E194 IonicContact NZ-OE1 2.69Å; K53-E194 PolarHBondContact NZ-OE1 3.45Å
54D69.5Low73.4Confident75 Ų7554.1 Ų54.140%0.40132%0.324SS..SBendtrans58.335.9173.7-70.4-55.5000114.4K3 N5 P56K3-D54 HydrophobicContact CD-CB 4.15Å; N5-D54 PolarHBondContact OD1-N 2.93Å; D54-P56 VanDerWaalsContact O-CD 3.28Å; D54-P56 WeakPolarHBondContact O-CD 3.01Å
55V73.1Confident73.6Confident18 Ų1854.8 Ų54.811%0.10933%0.328CS..EExtended strand (participates in β ladder)trans-70.5116.3177.6-175.30000108.5K3 G4 V48 A52 K53 K59K3-V55 CarbonylContact C-O 3.57Å; K3-V55 VanDerWaalsContact CA-O 3.24Å; K3-V55 WeakPolarHBondContact CA-O 3.42Å; G4-V55 PolarHBondContact N-O 2.71Å; G4-V55 WeakPolarHBondContact O-CB 3.37Å; G4-V55 PolarHBondContact O-N 2.69Å; V48-V55 HydrophobicContact CG1-CG1 4.41Å; V48-V55 HydrophobicContact CG1-CG2 3.58Å; V48-V55 HydrophobicContact CG2-CG1 4.31Å; A52-V55 HydrophobicContact CB-CG2 4.08Å; K53-V55 VanDerWaalsContact C-N 3.3Å; K53-V55 PolarHBondContact O-N 2.93Å; V55-K59 HydrophobicContact CG1-CB 4.09Å; V55-K59 HydrophobicContact CG1-CD 4.26Å
56P74.9Confident73.7Confident59 Ų5961.8 Ų61.838%0.38336%0.361SS..EExtended strand (participates in β ladder)trans-67143.4-179.821.8-25.2000111.3E2 D54 G58 K59E2-P56 WeakPolarHBondContact O-CA 3.34Å; D54-P56 VanDerWaalsContact O-CD 3.28Å; D54-P56 WeakPolarHBondContact O-CD 3.01Å; P56-G58 PolarHBondContact O-N 2.91Å; P56-K59 HydrophobicContact CG-CB 4.12Å; P56-K59 HydrophobicContact CG-CD 4.22Å; P56-K59 WeakPolarHBondContact O-CB 3.32Å; P56-K59 PolarHBondContact O-N 3.3Å; P56-K59 VanDerWaalsContact O-N 3.07Å
57V69.9Low73.3Confident108 Ų10862.6 Ų62.666%0.65537%0.369SS*.THydrogen-bonded Turntrans-62.1125.8177.1178.60000108.8E2E2-V57 PolarHBondContact O-N 3.18Å
58G73Confident72.8Confident82 Ų8263.6 Ų63.685%0.84538%0.38SS*.THydrogen-bonded Turntrans99-7.5-175.300000114.7P56P56-G58 PolarHBondContact O-N 2.91Å
59K77.4Confident72.3Confident90 Ų9070 Ų7039%0.39141%0.414SS..SBendtrans-69.4141.1171.7-170.5171.1179.9176.90110.6V55 P56 L61V55-K59 HydrophobicContact CG1-CB 4.09Å; V55-K59 HydrophobicContact CG1-CD 4.26Å; P56-K59 HydrophobicContact CG-CB 4.12Å; P56-K59 HydrophobicContact CG-CD 4.22Å; P56-K59 WeakPolarHBondContact O-CB 3.32Å; P56-K59 PolarHBondContact O-N 3.3Å; P56-K59 VanDerWaalsContact O-N 3.07Å; K59-L61 PolarHBondContact O-N 3.07Å
60L78.4Confident71.8Confident87 Ų8769.7 Ų69.746%0.45541%0.408SS..  trans-60.2117.1177.1-166.8123.3000110.8V47 V48 I63 L82V47-L60 HydrophobicContact CB-CD2 4.01Å; V47-L60 HydrophobicContact CG1-CD2 4.21Å; V47-L60 HydrophobicContact CG2-CD2 3.53Å; V48-L60 WeakPolarHBondContact CG2-O 3.36Å; L60-I63 HydrophobicContact CD2-CG1 4.09Å; L60-L82 HydrophobicContact CD2-CD1 4.44Å
61L75.1Confident71.2Confident33 Ų3365.2 Ų65.217%0.17339%0.389CS..  trans-88.8-50.9-174-114.5140.9000111.6V6 W9 I26 V47 V48 K59V6-L61 HydrophobicContact CG2-CD2 4.03Å; W9-L61 HydrophobicContact CH2-CD2 3.91Å; W9-L61 HydrophobicContact CZ2-CD2 3.63Å; I26-L61 HydrophobicContact CD1-CD1 4.16Å; V47-L61 PolarHBondContact N-O 2.7Å; V47-L61 VanDerWaalsContact N-O 3.1Å; V48-L61 PolarHBondContact N-O 3.19Å; K59-L61 PolarHBondContact O-N 3.07Å
62C73.8Confident70.8Confident22 Ų2266.8 Ų66.815%0.14940%0.398CS..EExtended strand (participates in β ladder)trans-153.5166.9178.859.40000110.6W9 M23 L43 K45W9-C62 HydrophobicContact CH2-CB 3.67Å; W9-C62 HydrophobicContact CZ2-CB 4.41Å; W9-C62 HydrophobicContact CZ3-CB 4.32Å; M23-C62 VanDerWaalsContact CE-SG 3.56Å; L43-C62 HydrophobicContact CD1-CB 3.67Å; K45-C62 CarbonylContact O-C 3.51Å; K45-C62 VanDerWaalsContact O-CA 3.23Å; K45-C62 WeakPolarHBondContact O-CA 3.41Å; K45-C62 WeakPolarHBondContact O-CB 2.89Å
63I76.5Confident70.4Confident26 Ų2668.8 Ų68.813%0.13342%0.415CS..EExtended strand (participates in β ladder)trans-109.1129.2172.4-57.2173.9000107.3A44 K45 V47 L60 F74 L82A44-I63 HydrophobicContact CB-CB 4.14Å; A44-I63 HydrophobicContact CB-CG2 3.99Å; A44-I63 WeakPolarHBondContact CB-O 3.37Å; A44-I63 PolarHBondContact N-O 3.1Å; K45-I63 PolarHBondContact N-O 2.78Å; K45-I63 PolarHBondContact O-N 3.22Å; V47-I63 HydrophobicContact CG2-CG1 4.4Å; L60-I63 HydrophobicContact CD2-CG1 4.09Å; I63-F74 HydrophobicContact CD1-CD1 3.99Å; I63-F74 HydrophobicContact CD1-CG 4.48Å; I63-F74 HydrophobicContact CG2-CD1 4.35Å; I63-F74 HydrophobicContact CG2-CG 4.29Å; I63-L82 HydrophobicContact CD1-CD1 3.95Å
64V76.3Confident69.8Low57 Ų5767.5 Ų67.535%0.34541%0.409SS..EExtended strand (participates in β ladder)trans-114137.8173.8-176.40000107.7I17 M23 Y42 L43I17-V64 HydrophobicContact CD1-CG1 4.42Å; I17-V64 HydrophobicContact CD1-CG2 4.21Å; M23-V64 HydrophobicContact CE-CG2 4.46Å; Y42-V64 WeakPolarHBondContact O-CA 3.24Å; L43-V64 HydrophobicContact CD1-CG2 4.21Å
65V75.5Confident69.1Low18 Ų1867 Ų6711%0.10942%0.415CS..EExtended strand (participates in β ladder)trans-125.2144.4179.9-86.70000110.3G41 Y42 A44 S67 D70 V71 F74G41-V65 CarbonylContact C-O 3.51Å; G41-V65 WeakPolarHBondContact CA-O 3.23Å; Y42-V65 PolarHBondContact N-O 2.85Å; Y42-V65 PolarHBondContact O-N 2.85Å; A44-V65 HydrophobicContact CB-CG1 4.38Å; A44-V65 HydrophobicContact CB-CG2 3.58Å; V65-S67 VanDerWaalsContact C-N 3.32Å; V65-S67 PolarHBondContact O-N 3.27Å; V65-D70 HydrophobicContact CB-CB 4.11Å; V65-D70 HydrophobicContact CG1-CB 3.93Å; V65-D70 HydrophobicContact CG2-CB 4.39Å; V65-V71 HydrophobicContact CG2-CG2 3.7Å; V65-F74 HydrophobicContact CG1-CD2 3.99Å; V65-F74 HydrophobicContact CG1-CE2 3.75Å
66E73.9Confident68.1Low183 Ų18371 Ų7186%0.85544%0.444SS*.SBendtrans-68.9-30.4-178.6-64.1178.3177.600112.5
67S67.2Low66.8Low47 Ų4769.4 Ų69.433%0.32943%0.433SS..SBendtrans-115.8139.9-177.4-173.70000112.3V65 D69 D70V65-S67 VanDerWaalsContact C-N 3.32Å; V65-S67 PolarHBondContact O-N 3.27Å; S67-D69 PolarHBondContact O-N 2.85Å; S67-D70 PolarHBondContact O-N 3.24Å
68A63.5Low65.7Low50 Ų5066.8 Ų66.841%0.41342%0.42SS..G310 helixtrans-62.6-26.6177.200000113Y42 D70 V71Y42-A68 HydrophobicContact CD1-CB 4.3Å; Y42-A68 HydrophobicContact CD2-CB 4.12Å; Y42-A68 HydrophobicContact CE1-CB 4.15Å; Y42-A68 HydrophobicContact CE2-CB 3.96Å; Y42-A68 HydrophobicContact CG-CB 4.28Å; A68-D70 VanDerWaalsContact C-N 3.28Å; A68-D70 PolarHBondContact O-N 2.99Å; A68-V71 WeakPolarHBondContact O-CB 3.5Å; A68-V71 WeakPolarHBondContact O-CG2 3.18Å; A68-V71 PolarHBondContact O-N 2.98Å
69D61.5Low64.6Low141 Ų14165.7 Ų65.775%0.75440%0.403SS*.G310 helixtrans-68.5-27.9-179.7-67.8-36.4000112.4S67 V71S67-D69 PolarHBondContact O-N 2.85Å; D69-V71 VanDerWaalsContact C-N 3.35Å
70D64.4Low63.2Low79 Ų7965.5 Ų65.542%0.42242%0.418SS..G310 helixtrans-82-13.3-178.1-66.5-42.8000113.1V65 S67 A68 A72 A73 F74V65-D70 HydrophobicContact CB-CB 4.11Å; V65-D70 HydrophobicContact CG1-CB 3.93Å; V65-D70 HydrophobicContact CG2-CB 4.39Å; S67-D70 PolarHBondContact O-N 3.24Å; A68-D70 VanDerWaalsContact C-N 3.28Å; A68-D70 PolarHBondContact O-N 2.99Å; D70-A72 PolarHBondContact O-N 2.83Å; D70-A73 WeakPolarHBondContact O-CB 3.47Å; D70-A73 PolarHBondContact O-N 2.96Å; D70-F74 WeakPolarHBondContact O-CD2 3.27Å
71V60.6Low61.7Low29 Ų2966.9 Ų66.918%0.17643%0.425CS..Hα-helixtrans-56.4-39.3177.8173.80000110.9V65 A68 D69 A73 F74 A75V65-V71 HydrophobicContact CG2-CG2 3.7Å; A68-V71 WeakPolarHBondContact O-CB 3.5Å; A68-V71 WeakPolarHBondContact O-CG2 3.18Å; A68-V71 PolarHBondContact O-N 2.98Å; D69-V71 VanDerWaalsContact C-N 3.35Å; V71-A73 VanDerWaalsContact C-N 3.31Å; V71-A73 PolarHBondContact O-N 2.84Å; V71-F74 PolarHBondContact O-N 3.49Å; V71-A75 PolarHBondContact O-N 3.2Å
72A61.2Low60.4Low78 Ų7869 Ų6965%0.64544%0.436SS*.Hα-helixtrans-67.8-28.8-179.800000113.3D70 F74 A75D70-A72 PolarHBondContact O-N 2.83Å; A72-F74 VanDerWaalsContact C-N 3.27Å; A72-F74 PolarHBondContact O-N 2.95Å; A72-A75 PolarHBondContact O-N 2.83Å
73A61.6Low58.7Low65 Ų6570.6 Ų70.654%0.53746%0.457SS..Hα-helixtrans-68.7-28.3-179.300000112.3D70 V71D70-A73 WeakPolarHBondContact O-CB 3.47Å; D70-A73 PolarHBondContact O-N 2.96Å; V71-A73 VanDerWaalsContact C-N 3.31Å; V71-A73 PolarHBondContact O-N 2.84Å
74F57.4Low57Low71 Ų7172.1 Ų72.131%0.31147%0.473SS..Hα-helixtrans-96.9-6.2-178.3-65.8-79.7000114A44 K45 I63 V65 D70 V71 A72 S76 V77A44-F74 HydrophobicContact CB-CB 4.11Å; A44-F74 HydrophobicContact CB-CD2 4.39Å; K45-F74 VanDerWaalsContact CD-O 3.24Å; K45-F74 WeakPolarHBondContact CD-O 3.36Å; I63-F74 HydrophobicContact CD1-CD1 3.99Å; I63-F74 HydrophobicContact CD1-CG 4.48Å; I63-F74 HydrophobicContact CG2-CD1 4.35Å; I63-F74 HydrophobicContact CG2-CG 4.29Å; V65-F74 HydrophobicContact CG1-CD2 3.99Å; V65-F74 HydrophobicContact CG1-CE2 3.75Å; D70-F74 WeakPolarHBondContact O-CD2 3.27Å; V71-F74 PolarHBondContact O-N 3.49Å; A72-F74 VanDerWaalsContact C-N 3.27Å; A72-F74 PolarHBondContact O-N 2.95Å; F74-S76 PolarHBondContact O-N 3.29Å; F74-S76 VanDerWaalsContact O-N 3.16Å; F74-V77 HydrophobicContact CD1-CG2 4.13Å; F74-V77 PolarHBondContact O-N 2.89Å; F74-V77 VanDerWaalsContact O-N 3.09Å
75A55.3Low55.2Low64 Ų6476.9 Ų76.953%0.52950%0.497SS..THydrogen-bonded Turntrans-57.4-32.5-179.100000113.4K45 V71 A72K45-A75 PolarHBondContact NZ-O 3Å; V71-A75 PolarHBondContact O-N 3.2Å; A72-A75 PolarHBondContact O-N 2.83Å
76S51.7Low53.1Low101 Ų10185.1 Ų85.171%0.70653%0.534SS*.THydrogen-bonded Turntrans-87.2-6.8-179.358.10000114.8F74 S78F74-S76 PolarHBondContact O-N 3.29Å; F74-S76 VanDerWaalsContact O-N 3.16Å; S76-S78 PolarHBondContact O-N 2.88Å
77V48.6Very low51.2Low27 Ų2783.7 Ų83.716%0.16453%0.528CS..  trans-78.1110.3-172.4-176.70000110.4K45 F74 D81 L82K45-V77 WeakPolarHBondContact CD-O 3.45Å; K45-V77 WeakPolarHBondContact CE-O 3.25Å; K45-V77 PolarHBondContact NZ-O 3.34Å; F74-V77 HydrophobicContact CD1-CG2 4.13Å; F74-V77 PolarHBondContact O-N 2.89Å; F74-V77 VanDerWaalsContact O-N 3.09Å; V77-D81 HydrophobicContact CG1-CB 4.49Å; V77-L82 HydrophobicContact CG1-CD1 3.26Å; V77-L82 HydrophobicContact CG1-CD2 4.13Å; V77-L82 HydrophobicContact CG1-CG 3.37Å
78S46Very low49.5Very low53 Ų5385.4 Ų85.437%0.37155%0.545SS..  trans-90.5158177.977.30000110.8S76 A80 D81S76-S78 PolarHBondContact O-N 2.88Å; S78-A80 PolarHBondContact O-N 2.84Å; S78-D81 PolarHBondContact N-OD2 3.27Å; S78-D81 PolarHBondContact O-N 2.87Å; S78-D81 PolarHBondContact OG-OD2 3.05Å
79A49.6Very low48.3Very low59 Ų5989.1 Ų89.149%0.48857%0.565SS.*THydrogen-bonded Turntrans-58.3-11.5177.300000114V47V47-A79 HydrophobicContact CG1-CB 4.15Å
80A48.4Very low46.9Very low86 Ų8690.7 Ų90.771%0.71157%0.565SS**THydrogen-bonded Turntrans-84.3-25.117400000113.4S78S78-A80 PolarHBondContact O-N 2.84Å
81D47.9Very low45.5Very low115 Ų11592.4 Ų92.462%0.61558%0.583SS**THydrogen-bonded Turntrans-86.1-29.2-175.3-59-56.8000112.4V77 S78 G83V77-D81 HydrophobicContact CG1-CB 4.49Å; S78-D81 PolarHBondContact N-OD2 3.27Å; S78-D81 PolarHBondContact O-N 2.87Å; S78-D81 PolarHBondContact OG-OD2 3.05Å; D81-G83 PolarHBondContact O-N 3.44Å
82L47.7Very low44.3Very low77 Ų7795.3 Ų95.340%0.40361%0.61SS.*THydrogen-bonded Turntrans-97.780.1174.2-65.9166.6000108.3L60 I63 V77 A84L60-L82 HydrophobicContact CD2-CD1 4.44Å; I63-L82 HydrophobicContact CD1-CD1 3.95Å; V77-L82 HydrophobicContact CG1-CD1 3.26Å; V77-L82 HydrophobicContact CG1-CD2 4.13Å; V77-L82 HydrophobicContact CG1-CG 3.37Å; L82-A84 VanDerWaalsContact C-N 3.33Å; L82-A84 PolarHBondContact O-N 3.1Å
83G36.9Very low43Very low56 Ų5696 Ų9658%0.57762%0.616SS**THydrogen-bonded Turntrans-37.886.8-174.300000115D81 D85 E86D81-G83 PolarHBondContact O-N 3.44Å; G83-D85 PolarHBondContact O-N 3.24Å; G83-E86 PolarHBondContact O-N 3.43Å
84A40.9Very low42.1Very low58 Ų5898.3 Ų98.348%0.47963%0.626SS.*THydrogen-bonded Turntrans-76.518.1-172.600000113.7L82L82-A84 VanDerWaalsContact C-N 3.33Å; L82-A84 PolarHBondContact O-N 3.1Å
85D38.4Very low41.3Very low158 Ų158100.4 Ų100.485%0.84565%0.646SS**THydrogen-bonded Turntrans-123.439.9174.5-67.4-45.3000110.4G83 E87G83-D85 PolarHBondContact O-N 3.24Å; D85-E87 PolarHBondContact O-N 2.79Å
86E33.3Very low40.8Very low190 Ų190102.8 Ų102.889%0.88866%0.656SS**  trans-68.976.5158.8-83.2-162.8151.800109.2G83 A88G83-E86 PolarHBondContact O-N 3.43Å; E86-A88 PolarHBondContact O-N 2.85Å; E86-A88 VanDerWaalsContact O-N 3.11Å
87E33Very low40.4Very low153 Ų153103.6 Ų103.672%0.71566%0.659SS**  trans-57.2109.3152.5-101.1-168.8170.600107.3D85 K90D85-E87 PolarHBondContact O-N 2.79Å; E87-K90 IonicContact OE2-NZ 3.75Å; E87-K90 PolarHBondContact OE2-NZ 2.92Å
88A31.6Very low40.2Very low84 Ų84107.8 Ų107.869%0.69469%0.687SS**  trans-40.8145.1169.500000112.2E86 K90E86-A88 PolarHBondContact O-N 2.85Å; E86-A88 VanDerWaalsContact O-N 3.11Å; A88-K90 PolarHBondContact O-N 2.81Å; A88-K90 VanDerWaalsContact O-N 3.09Å
89P38.9Very low40Very low128 Ų128110.7 Ų110.783%0.83171%0.705SS**  trans-63.4115.1-156.224.2-33.1000111.6S91P89-S91 PolarHBondContact O-N 3.45Å
90K32Very low39.7Very low173 Ų173114.1 Ų114.175%0.75272%0.722SS**  trans-55.7106.6167.6-109.7168.2-172.9128.50108.9E87 A88 A92E87-K90 IonicContact OE2-NZ 3.75Å; E87-K90 PolarHBondContact OE2-NZ 2.92Å; A88-K90 PolarHBondContact O-N 2.81Å; A88-K90 VanDerWaalsContact O-N 3.09Å; K90-A92 PolarHBondContact O-N 2.92Å
91S34Very low39.6Very low115 Ų115115.9 Ų115.980%0.80473%0.729SS**  trans-38.2134.2160.6-175.40000110.8P89 A93P89-S91 PolarHBondContact O-N 3.45Å; S91-A93 PolarHBondContact O-N 3.43Å
92A35.6Very low39.1Very low91 Ų91115 Ų11575%0.75274%0.738SS**  trans-40.6120.7-171.900000113.3K90K90-A92 PolarHBondContact O-N 2.92Å
93A34.7Very low39Very low92 Ų92115.7 Ų115.776%0.7676%0.755SS**PPolyproline II helixtrans-56.1133.9170.100000109.9S91S91-A93 PolarHBondContact O-N 3.43Å
94P41Very low39.2Very low114 Ų114118.7 Ų118.774%0.7476%0.764SS**PPolyproline II helixtrans-63.1147.1178.3-14.126.9000110.7
95P41.6Very low39.2Very low114 Ų114121.2 Ų121.274%0.7478%0.775SS**PPolyproline II helixtrans-62.6149.9-179.226.3-32.8000111.3
96P43.8Very low39.6Very low115 Ų115119.9 Ų119.975%0.74778%0.775SS**PPolyproline II helixtrans-61.9148-174.225.2-33.5000111.6
97P43.4Very low39.9Very low117 Ų117116.8 Ų116.876%0.7677%0.77SS**PPolyproline II helixtrans-61.8142.7-17825.5-33000110.8
98P44.7Very low40.7Very low115 Ų115114.5 Ų114.575%0.74777%0.768SS**PPolyproline II helixtrans-63.8146.3-17926.1-32.9000110.8
99P42.3Very low40.7Very low115 Ų115116.3 Ų116.375%0.74777%0.771SS**PPolyproline II helixtrans-63.8149.4-176.926.4-33.2000111.2S101P99-S101 PolarHBondContact O-N 2.84Å
100P44.5Very low40.7Very low131 Ų131116.1 Ų116.185%0.85177%0.769SS**PPolyproline II helixtrans-61.2124.5-174.423-31.6000111.3
101S45.1Very low40.9Very low122 Ų122114 Ų11485%0.85377%0.77SS**PPolyproline II helixtrans-60.6137.2177-177.10000111.5P99P99-S101 PolarHBondContact O-N 2.84Å
102A37.3Very low41.2Very low97 Ų97113.8 Ų113.880%0.80277%0.769SS**PPolyproline II helixtrans-47.8127.4-175.500000114.4
103A45.5Very low41.2Very low92 Ų92113.8 Ų113.876%0.7677%0.769SS**PPolyproline II helixtrans-81.3148.4160.900000110.1
104P41.8Very low41.8Very low118 Ų118115.1 Ų115.177%0.76677%0.77SS**PPolyproline II helixtrans-78.7164.8-166.6-6.125.2000113.1
105P41.4Very low41.6Very low111 Ų111115.4 Ų115.472%0.72178%0.775SS**PPolyproline II helixtrans-82143-158.632.9-34.2000113.3
106P46.2Very low42.2Very low131 Ų131115.7 Ų115.785%0.85178%0.776SS**PPolyproline II helixtrans-89.5130160.532.6-27000110.5
107T40.6Very low42.3Very low125 Ų125115.9 Ų115.977%0.76778%0.778SS**  trans-120.7158.3173.439.10000109.4
108P49.5Very low42Very low105 Ų105116.9 Ų116.968%0.68278%0.781SS**  -127.9166.1-64.932-13.4000111.9
109T30.5Very low42.3Very low122 Ų122117.1 Ų117.175%0.74878%0.783SS**  trans42.1129.5149.6550000120.1
110P39.3Very low42.4Very low123 Ų123119.9 Ų119.980%0.79979%0.788SS**  -135.7133.7102.832.3-17.4000115.4
111V35.6Very low42.4Very low128 Ų128119.1 Ų119.178%0.77678%0.783SS**  trans29.6125.5132.6-143.10000120.6
112S40.8Very low43Very low111 Ų111119 Ų11978%0.77678%0.779SS**  trans125.9120.7130.6-66.20000117.3
113A35.3Very low43.1Very low92 Ų92120.1 Ų120.176%0.7678%0.778SS**  trans-46.2169.8162.600000114.5
114P47.3Very low42.5Very low119 Ų119121 Ų12177%0.77379%0.785SS**  cis-141164.826.638.9-17.9000118.6
115S36.9Very low41.9Very low121 Ų121119.6 Ų119.685%0.84678%0.784SS**  trans-75.7140.1173.5-28.70000113
116P55.6Low41.4Very low119 Ų119122.7 Ų122.777%0.77379%0.791SS**  trans-119.9166.2151.830.8-14.6000112
117P45.8Very low40.9Very low119 Ų119122.5 Ų122.577%0.77379%0.789SS**PPolyproline II helixtrans-97.2165.5-136.236.3-35.6000115.8
118V35.2Very low40.5Very low138 Ų138125.4 Ų125.484%0.83680%0.795SS**PPolyproline II helixtrans-51.9124174.5-157.50000111.8
119P50.9Low39.8Very low120 Ų120126.1 Ų126.178%0.77980%0.799SS**PPolyproline II helixtrans-80.2123.3166-1.218.9000109.5
120M45.1Very low39.9Very low174 Ų174128.9 Ų128.986%0.85781%0.806SS**PPolyproline II helixtrans-63142.5168.1-162.5171.9179.900110
121P45.1Very low39.7Very low114 Ų114128.5 Ų128.574%0.7480%0.803SS**PPolyproline II helixtrans-73.7134.5-171.727.3-31.9000111.9
122P57.8Low39.7Very low119 Ų119129.8 Ų129.877%0.77381%0.811SS**PPolyproline II helixtrans-78156.3173.330.8-30.8000111.4
123P39.1Very low39.5Very low121 Ų121128.3 Ų128.379%0.78681%0.814SS**PPolyproline II helixtrans-83.2157-164.41.317.4000112.8A125P123-A125 PolarHBondContact O-N 2.84Å
124A32.5Very low40.1Very low110 Ų110126.4 Ų126.491%0.90980%0.803SS**PPolyproline II helixtrans-47.6118.9172.200000112.4
125A29.5Very low40.6Very low89 Ų89131.7 Ų131.774%0.73681%0.808SS**  trans-140.7102.6168.100000109.8P123P123-A125 PolarHBondContact O-N 2.84Å
126M31Very low42.2Very low177 Ų177128.7 Ų128.787%0.87278%0.784SS**  trans54.3142.7135.9-69.8-174.5150.900120.9Q128M126-Q128 PolarHBondContact O-N 2.87Å
127P36Very low43Very low126 Ų126129.6 Ų129.682%0.81878%0.776SS**PPolyproline II helixtrans-73.3126.8-161.129.9-32.2000111.3
128Q31.7Very low44.6Very low187 Ų187124.7 Ų124.787%0.87475%0.745SS**PPolyproline II helixtrans-77.2139.2173.5-69.4-155.7-5.700111.1M126M126-Q128 PolarHBondContact O-N 2.87Å
129P34.1Very low46.6Very low120 Ų120119.2 Ų119.278%0.77971%0.713SS**PPolyproline II helixtrans-71.1146.5-179.7-3.319.6000111.1
130M34Very low47.9Very low179 Ų179118.7 Ų118.788%0.88271%0.71SS**PPolyproline II helixtrans-55.1124.7-175.4-65.1-166.4-70.300112.5V132M130-V132 PolarHBondContact O-N 2.8Å
131P34Very low49.4Very low115 Ų115115.5 Ų115.575%0.74770%0.695SS**  trans-76.2111.8175.228.1-29000110.1G133P131-G133 PolarHBondContact O-N 3.02Å
132V35.4Very low51Low155 Ų155110 Ų11094%0.93966%0.66SS**THydrogen-bonded Turntrans-63.5108.3167.3179.50000108.2M130M130-V132 PolarHBondContact O-N 2.8Å
133G38Very low52.2Low81 Ų81109.8 Ų109.884%0.83565%0.647SS**THydrogen-bonded Turntrans99.317.4166.500000118.4P131P131-G133 PolarHBondContact O-N 3.02Å
134G46.6Very low53.9Low52 Ų52107.8 Ų107.854%0.53663%0.632SS.*  trans-79.3134.2178.800000114.4V136G134-V136 PolarHBondContact O-N 2.65Å
135R59.2Low56.1Low230 Ų230104.8 Ų104.887%0.86860%0.601SS**  trans-51.8118.2175.3-77.5177.8172.4173.5-2.2111.6F137R135-F137 PolarHBondContact O-N 3.01Å
136V70.2Confident58.4Low57 Ų57100.7 Ų100.735%0.34557%0.567SS.*  trans-77.4112.8176.1-176.70000110.4G134 A138 L153 T154 I165G134-V136 PolarHBondContact O-N 2.65Å; V136-A138 HydrophobicContact CG1-CB 4.47Å; V136-A138 PolarHBondContact O-N 3.33Å; V136-L153 HydrophobicContact CG1-CB 3.91Å; V136-T154 HydrophobicContact CG2-CG2 3.91Å; V136-I165 HydrophobicContact CG1-CD1 3.57Å
137F71.9Confident60.7Low139 Ų13995.9 Ų95.961%0.6156%0.555SS**  trans-81.695.4173.3-82.8-89.1000110R135 R164 I165R135-F137 PolarHBondContact O-N 3.01Å; F137-R164 CarbonylContact O-C 3.56Å; F137-R164 WeakPolarHBondContact O-CA 3.22Å; F137-R164 WeakPolarHBondContact O-CG 3.44Å; F137-I165 PolarHBondContact O-N 3.35Å
138A78.6Confident62.6Low15 Ų1597.3 Ų97.312%0.12455%0.551CS.*BIsolated β-bridgetrans-118.614417500000111.4V136 K143 L153 I165V136-A138 HydrophobicContact CG1-CB 4.47Å; V136-A138 PolarHBondContact O-N 3.33Å; A138-K143 HydrophobicContact CB-CG 3.91Å; A138-L153 HydrophobicContact CB-CD1 3.96Å; A138-L153 HydrophobicContact CB-CD2 4.43Å; A138-I165 HydrophobicContact CB-CB 4.05Å; A138-I165 HydrophobicContact CB-CD1 4.46Å
139S77.7Confident64.8Low24 Ų2493.2 Ų93.217%0.16853%0.53CS..  trans-63.9151.6171.666.30000111.3L141 A142 K143 I165S139-L141 PolarHBondContact O-N 3.16Å; S139-A142 PolarHBondContact O-N 3.16Å; S139-A142 VanDerWaalsContact OG-CB 3.28Å; S139-A142 WeakPolarHBondContact OG-CB 3.17Å; S139-A142 PolarHBondContact OG-N 3.23Å; S139-K143 PolarHBondContact O-N 3.33Å; S139-I165 PolarHBondContact N-O 2.92Å; S139-I165 PolarHBondContact OG-O 2.89Å
140P78.3Confident66.6Low109 Ų10995.9 Ų95.971%0.70853%0.533SS*.Hα-helixtrans-53.8-40.8178.9-26.734.5000113K143 T144P140-K143 PolarHBondContact O-N 3.05Å; P140-T144 PolarHBondContact O-N 2.94Å; P140-T144 VanDerWaalsContact O-N 3.15Å; P140-T144 PolarHBondContact O-OG1 3.49Å
141L77.5Confident68.5Low106 Ų10688.2 Ų88.256%0.55550%0.495SS*.Hα-helixtrans-68.3-34.3179.2-158.9124.5000112.7S139 T144 L145 A167S139-L141 PolarHBondContact O-N 3.16Å; L141-T144 WeakPolarHBondContact CA-OG1 3.45Å; L141-T144 PolarHBondContact O-OG1 3.48Å; L141-L145 HydrophobicContact CD2-CD1 3.8Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 PolarHBondContact O-N 3.07Å; L141-L145 VanDerWaalsContact O-N 3.11Å; L141-A167 HydrophobicContact CD2-CB 3.35Å
142A78.1Confident70.7Confident0 Ų087.3 Ų87.30%048%0.484CS..Hα-helixtrans-68.9-36.9173.500000111.8S139 L145 A146 I165 L170S139-A142 PolarHBondContact O-N 3.16Å; S139-A142 VanDerWaalsContact OG-CB 3.28Å; S139-A142 WeakPolarHBondContact OG-CB 3.17Å; S139-A142 PolarHBondContact OG-N 3.23Å; A142-L145 PolarHBondContact O-N 3.1Å; A142-A146 VanDerWaalsContact O-CB 3.23Å; A142-A146 WeakPolarHBondContact O-CB 3.13Å; A142-A146 PolarHBondContact O-N 3.16Å; A142-I165 HydrophobicContact CB-CG2 4.23Å; A142-I165 WeakPolarHBondContact CB-O 3.28Å; A142-L170 HydrophobicContact CB-CD1 3.92Å; A142-L170 WeakPolarHBondContact O-CD1 3.38Å
143K81.6Confident72.6Confident113 Ų11381.3 Ų81.349%0.49145%0.446SS..Hα-helixtrans-64-42.2176.1-68.8-175179.5-174.90112.3A138 S139 P140 A147 L153A138-K143 HydrophobicContact CB-CG 3.91Å; S139-K143 PolarHBondContact O-N 3.33Å; P140-K143 PolarHBondContact O-N 3.05Å; K143-A147 WeakPolarHBondContact O-CB 3.43Å; K143-A147 PolarHBondContact O-N 3.49Å; K143-L153 HydrophobicContact CG-CD1 3.96Å
144T75.8Confident74.3Confident79 Ų7982.1 Ų82.149%0.48544%0.436SS..Hα-helixtrans-67.1-42.8177.751.90000111.7P140 L141 A147 Q148P140-T144 PolarHBondContact O-N 2.94Å; P140-T144 VanDerWaalsContact O-N 3.15Å; P140-T144 PolarHBondContact O-OG1 3.49Å; L141-T144 WeakPolarHBondContact CA-OG1 3.45Å; L141-T144 PolarHBondContact O-OG1 3.48Å; T144-A147 PolarHBondContact O-N 3.25Å; T144-Q148 WeakPolarHBondContact O-CB 3.46Å; T144-Q148 WeakPolarHBondContact O-CG 3.44Å; T144-Q148 PolarHBondContact O-N 3.26Å
145L78.3Confident75.5Confident47 Ų4783.9 Ų83.925%0.24644%0.44CS..Hα-helixtrans-64.9-41176.3-98.3152.3000112.5L141 A142 Q148 K149 A167 L170L141-L145 HydrophobicContact CD2-CD1 3.8Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 PolarHBondContact O-N 3.07Å; L141-L145 VanDerWaalsContact O-N 3.11Å; A142-L145 PolarHBondContact O-N 3.1Å; L145-Q148 PolarHBondContact O-N 3.34Å; L145-K149 WeakPolarHBondContact O-CB 3.28Å; L145-K149 WeakPolarHBondContact O-CG 3.41Å; L145-K149 PolarHBondContact O-N 2.93Å; L145-A167 HydrophobicContact CD1-CB 4.01Å; L145-L170 HydrophobicContact CB-CD1 3.83Å
146A78.5Confident76.1Confident3 Ų373.7 Ų73.73%0.02540%0.403CS..Hα-helixtrans-66-40.817700000111.8A142 K149 Q150 L151 L153 L170A142-A146 VanDerWaalsContact O-CB 3.23Å; A142-A146 WeakPolarHBondContact O-CB 3.13Å; A142-A146 PolarHBondContact O-N 3.16Å; A146-K149 CarbonylContact O-C 3.56Å; A146-K149 PolarHBondContact O-N 3.33Å; A146-Q150 WeakPolarHBondContact O-CA 3.44Å; A146-Q150 PolarHBondContact O-N 3.38Å; A146-L151 HydrophobicContact CB-CB 4.29Å; A146-L151 PolarHBondContact O-N 2.92Å; A146-L153 HydrophobicContact CB-CD1 4.2Å; A146-L153 HydrophobicContact CB-CD2 3.58Å; A146-L153 HydrophobicContact CB-CG 3.71Å; A146-L170 HydrophobicContact CB-CD1 4.12Å
147A78.7Confident76.2Confident76 Ų7680.1 Ų80.163%0.62843%0.426SS*.Hα-helixtrans-63.4-42.3174.300000112.1K143 T144 Q150K143-A147 WeakPolarHBondContact O-CB 3.43Å; K143-A147 PolarHBondContact O-N 3.49Å; T144-A147 PolarHBondContact O-N 3.25Å; A147-Q150 PolarHBondContact O-N 3.21Å
148Q76.2Confident76.4Confident156 Ų15674.2 Ų74.273%0.72940%0.404SS*.Hα-helixtrans-65.2-37.6176.1-76.8177.7-14.900112.8T144 L145T144-Q148 WeakPolarHBondContact O-CB 3.46Å; T144-Q148 WeakPolarHBondContact O-CG 3.44Å; T144-Q148 PolarHBondContact O-N 3.26Å; L145-Q148 PolarHBondContact O-N 3.34Å
149K78.1Confident76.4Confident101 Ų10178.1 Ų78.144%0.43943%0.431SS..THydrogen-bonded Turntrans-90.31.7179.2-67.1-171.2177.9-172.90114.3L145 A146 L151 L170L145-K149 WeakPolarHBondContact O-CB 3.28Å; L145-K149 WeakPolarHBondContact O-CG 3.41Å; L145-K149 PolarHBondContact O-N 2.93Å; A146-K149 CarbonylContact O-C 3.56Å; A146-K149 PolarHBondContact O-N 3.33Å; K149-L151 HydrophobicContact CB-CD1 3.77Å; K149-L151 HydrophobicContact CB-CG 3.87Å; K149-L151 HydrophobicContact CD-CD1 3.93Å; K149-L151 PolarHBondContact O-N 2.99Å; K149-L170 PolarHBondContact NZ-O 2.78Å
150Q71.2Confident76.2Confident177 Ų17777.6 Ų77.683%0.82743%0.429SS*.THydrogen-bonded Turntrans52.837.8-174.9-60166.20.300112.9A146 A147A146-Q150 WeakPolarHBondContact O-CA 3.44Å; A146-Q150 PolarHBondContact O-N 3.38Å; A147-Q150 PolarHBondContact O-N 3.21Å
151L75.2Confident75.6Confident17 Ų1777.2 Ų77.29%0.08943%0.426CS..  trans-92.9131.6178.8-71169.4000110.6A146 K149 L153 L170 V173 A175A146-L151 HydrophobicContact CB-CB 4.29Å; A146-L151 PolarHBondContact O-N 2.92Å; K149-L151 HydrophobicContact CB-CD1 3.77Å; K149-L151 HydrophobicContact CB-CG 3.87Å; K149-L151 HydrophobicContact CD-CD1 3.93Å; K149-L151 PolarHBondContact O-N 2.99Å; L151-L153 PolarHBondContact O-N 3.06Å; L151-L170 HydrophobicContact CD1-CD2 4.18Å; L151-V173 HydrophobicContact CD2-CG1 4.06Å; L151-A175 HydrophobicContact CD2-CB 3.9Å
152D78.7Confident75.2Confident97 Ų9778.5 Ų78.552%0.51945%0.445SS..  trans-80.8112.6171.9-171.6-1.4000110.7T154 S155D152-T154 PolarHBondContact O-N 3.06Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.5Å; D152-T154 PolarHBondContact OD1-N 3.23Å; D152-T154 PolarHBondContact OD1-OG1 3.43Å; D152-T154 VanDerWaalsContact OD1-OG1 3.08Å; D152-T154 PolarHBondContact OD2-OG1 3.15Å; D152-S155 PolarHBondContact O-N 3.25Å; D152-S155 VanDerWaalsContact O-N 3.17Å; D152-S155 PolarHBondContact O-OG 3.3Å
153L75.3Confident74.8Confident28 Ų2880.8 Ų80.815%0.14747%0.468CS..G310 helixtrans-62.7-19.5179.7-68.2168.5000113.1V136 A138 K143 A146 L151 S155 V156 I165 L170V136-L153 HydrophobicContact CG1-CB 3.91Å; A138-L153 HydrophobicContact CB-CD1 3.96Å; A138-L153 HydrophobicContact CB-CD2 4.43Å; K143-L153 HydrophobicContact CG-CD1 3.96Å; A146-L153 HydrophobicContact CB-CD1 4.2Å; A146-L153 HydrophobicContact CB-CD2 3.58Å; A146-L153 HydrophobicContact CB-CG 3.71Å; L151-L153 PolarHBondContact O-N 3.06Å; L153-S155 PolarHBondContact O-N 2.89Å; L153-V156 PolarHBondContact O-N 3.46Å; L153-I165 HydrophobicContact CB-CD1 4.03Å; L153-I165 HydrophobicContact CD2-CD1 4.05Å; L153-I165 HydrophobicContact CD2-CG2 4.1Å; L153-I165 VanDerWaalsContact O-CD1 3.24Å; L153-I165 WeakPolarHBondContact O-CD1 3.36Å; L153-L170 HydrophobicContact CD2-CD2 4.12Å
154T74.8Confident74.6Confident99 Ų9981 Ų8161%0.60747%0.466SS*.G310 helixtrans-64.9-26.7176.566.40000112.5V136 D152V136-T154 HydrophobicContact CG2-CG2 3.91Å; D152-T154 PolarHBondContact O-N 3.06Å; D152-T154 WeakPolarHBondContact OD1-CG2 3.5Å; D152-T154 PolarHBondContact OD1-N 3.23Å; D152-T154 PolarHBondContact OD1-OG1 3.43Å; D152-T154 VanDerWaalsContact OD1-OG1 3.08Å; D152-T154 PolarHBondContact OD2-OG1 3.15Å
155S71.3Confident74.7Confident89 Ų8977.5 Ų77.562%0.62244%0.444SS*.G310 helixtrans-87.2-9.1-179.469.60000113.8D152 L153D152-S155 PolarHBondContact O-N 3.25Å; D152-S155 VanDerWaalsContact O-N 3.17Å; D152-S155 PolarHBondContact O-OG 3.3Å; L153-S155 PolarHBondContact O-N 2.89Å
156V70.9Confident74.8Confident15 Ų1577.4 Ų77.49%0.09145%0.445CS..  trans-101.1119.2-173.6-175.70000110.3L153 G158 I165 D169 L170 V173L153-V156 PolarHBondContact O-N 3.46Å; V156-G158 PolarHBondContact O-N 2.88Å; V156-I165 HydrophobicContact CB-CD1 4.22Å; V156-I165 HydrophobicContact CG1-CG2 3.99Å; V156-I165 WeakPolarHBondContact O-CD1 3.42Å; V156-D169 HydrophobicContact CG1-CB 4.1Å; V156-L170 HydrophobicContact CG1-CD2 4.23Å; V156-L170 HydrophobicContact CG2-CD2 4.07Å; V156-V173 HydrophobicContact CG1-CG2 4.43Å; V156-V173 HydrophobicContact CG2-CG1 4.38Å; V156-V173 HydrophobicContact CG2-CG2 4.3Å
157K74.1Confident74.5Confident193 Ų19378.8 Ų78.884%0.83946%0.456SS*.  trans-77.3113.8173.3-170.9177.1-178.3-179.80109.6
158G75.7Confident74.4Confident15 Ų1578.8 Ų78.816%0.15546%0.457CS..  trans-75.3133.7-178.600000113.6V156 R164 D169V156-G158 PolarHBondContact O-N 2.88Å; G158-R164 CarbonylContact C-O 3.54Å; G158-D169 WeakPolarHBondContact CA-OD2 3.49Å
159S77.8Confident74.4Confident96 Ų9672.7 Ų72.767%0.67143%0.429SS*.  trans-92.3-1.4178-50.80000113.7D169S159-D169 WeakPolarHBondContact CB-OD1 3.38Å; S159-D169 PolarHBondContact N-OD2 2.93Å; S159-D169 PolarHBondContact OG-OD1 2.91Å
160G74.5Confident74.1Confident13 Ų1368 Ų6813%0.13441%0.409CS..BIsolated β-bridgetrans-78.2172.6-177.700000114.3S162 G163 R164G160-S162 PolarHBondContact O-N 3.4Å; G160-G163 PolarHBondContact O-N 2.87Å; G160-R164 WeakPolarHBondContact CA-O 3.47Å; G160-R164 PolarHBondContact N-O 3.11Å; G160-R164 PolarHBondContact O-N 2.97Å
161P66Low73.9Confident101 Ų10163.5 Ų63.566%0.65640%0.401SS*.G310 helixtrans-53.2127.5177.6-24.133.2000111.4G163 R164P161-G163 VanDerWaalsContact C-N 3.34Å; P161-G163 PolarHBondContact O-N 3.39Å; P161-R164 WeakPolarHBondContact O-CB 3.48Å
162S68.6Low73.3Confident134 Ų13466 Ų6694%0.93743%0.431SS*.G310 helixtrans61.330.6-173.7-51.50000115.5G160G160-S162 PolarHBondContact O-N 3.4Å
163G70.4Confident72.3Confident47 Ų4763.8 Ų63.849%0.48542%0.421SS..G310 helixtrans79.521177.100000114G160 P161G160-G163 PolarHBondContact O-N 2.87Å; P161-G163 VanDerWaalsContact C-N 3.34Å; P161-G163 PolarHBondContact O-N 3.39Å
164R77.2Confident71.2Confident119 Ų11968.5 Ų68.545%0.44945%0.452SS..BIsolated β-bridgetrans-73133.3-178.2-175.7-177.9-65.2169.9-0.3111.3F137 G158 G160 P161 V166F137-R164 CarbonylContact O-C 3.56Å; F137-R164 WeakPolarHBondContact O-CA 3.22Å; F137-R164 WeakPolarHBondContact O-CG 3.44Å; G158-R164 CarbonylContact C-O 3.54Å; G160-R164 WeakPolarHBondContact CA-O 3.47Å; G160-R164 PolarHBondContact N-O 3.11Å; G160-R164 PolarHBondContact O-N 2.97Å; P161-R164 WeakPolarHBondContact O-CB 3.48Å; R164-V166 PolarHBondContact O-N 3.4Å
165I76.1Confident70.1Confident4 Ų466.3 Ų66.32%0.02144%0.443CS..BIsolated β-bridgetrans-74.6118.1176.1-54.7166.6000109.6V136 F137 A138 S139 A142 L153 V156 D169 L170V136-I165 HydrophobicContact CG1-CD1 3.57Å; F137-I165 PolarHBondContact O-N 3.35Å; A138-I165 HydrophobicContact CB-CB 4.05Å; A138-I165 HydrophobicContact CB-CD1 4.46Å; S139-I165 PolarHBondContact N-O 2.92Å; S139-I165 PolarHBondContact OG-O 2.89Å; A142-I165 HydrophobicContact CB-CG2 4.23Å; A142-I165 WeakPolarHBondContact CB-O 3.28Å; L153-I165 HydrophobicContact CB-CD1 4.03Å; L153-I165 HydrophobicContact CD2-CD1 4.05Å; L153-I165 HydrophobicContact CD2-CG2 4.1Å; L153-I165 VanDerWaalsContact O-CD1 3.24Å; L153-I165 WeakPolarHBondContact O-CD1 3.36Å; V156-I165 HydrophobicContact CB-CD1 4.22Å; V156-I165 HydrophobicContact CG1-CG2 3.99Å; V156-I165 WeakPolarHBondContact O-CD1 3.42Å; I165-D169 HydrophobicContact CG2-CB 4.27Å; I165-L170 HydrophobicContact CG2-CD2 4.46Å
166V80.6Confident68.9Low46 Ų4667.4 Ų67.428%0.27945%0.448SS..PPolyproline II helixtrans-103.8161.2175.2-670000110.4R164 A168 D169R164-V166 PolarHBondContact O-N 3.4Å; V166-A168 HydrophobicContact CG2-CB 4.45Å; V166-A168 PolarHBondContact O-N 3.24Å; V166-A168 VanDerWaalsContact O-N 3.16Å; V166-D169 VanDerWaalsContact CG2-OD2 3.25Å; V166-D169 WeakPolarHBondContact CG2-OD2 3.39Å; V166-D169 PolarHBondContact N-OD2 3.42Å; V166-D169 WeakPolarHBondContact O-CB 3.49Å; V166-D169 PolarHBondContact O-N 2.91Å
167A73.9Confident67.6Low31 Ų3174 Ų7426%0.25649%0.488SS..G310 helixtrans-56.4-34.3-175.100000113.8L141 L145 D169 L170L141-A167 HydrophobicContact CD2-CB 3.35Å; L145-A167 HydrophobicContact CD1-CB 4.01Å; A167-D169 PolarHBondContact O-N 3.36Å; A167-L170 PolarHBondContact O-N 2.93Å; A167-L170 VanDerWaalsContact O-N 3.16Å
168A76.7Confident66.1Low77 Ų7768.8 Ų68.864%0.63648%0.481SS*.G310 helixtrans-62.4-30.217800000112.8V166 L170 A171V166-A168 HydrophobicContact CG2-CB 4.45Å; V166-A168 PolarHBondContact O-N 3.24Å; V166-A168 VanDerWaalsContact O-N 3.16Å; A168-L170 PolarHBondContact O-N 3.32Å; A168-A171 WeakPolarHBondContact O-CB 3.19Å; A168-A171 PolarHBondContact O-N 2.66Å
169D75.7Confident64.5Low28 Ų2871.9 Ų71.915%0.1551%0.505CS..G310 helixtrans-69.3-21.3179.2-57.5-36.8000111.9V156 G158 S159 I165 V166 A167 V173V156-D169 HydrophobicContact CG1-CB 4.1Å; G158-D169 WeakPolarHBondContact CA-OD2 3.49Å; S159-D169 WeakPolarHBondContact CB-OD1 3.38Å; S159-D169 PolarHBondContact N-OD2 2.93Å; S159-D169 PolarHBondContact OG-OD1 2.91Å; I165-D169 HydrophobicContact CG2-CB 4.27Å; V166-D169 VanDerWaalsContact CG2-OD2 3.25Å; V166-D169 WeakPolarHBondContact CG2-OD2 3.39Å; V166-D169 PolarHBondContact N-OD2 3.42Å; V166-D169 WeakPolarHBondContact O-CB 3.49Å; V166-D169 PolarHBondContact O-N 2.91Å; A167-D169 PolarHBondContact O-N 3.36Å; D169-V173 WeakPolarHBondContact O-CG2 3.23Å
170L70.5Confident63Low2 Ų273.1 Ų73.11%0.0151%0.511CS..G310 helixtrans-89.6-1.9178.2-59.4173.2000113.3A142 L145 A146 K149 L151 L153 V156 I165 A167 A168A142-L170 HydrophobicContact CB-CD1 3.92Å; A142-L170 WeakPolarHBondContact O-CD1 3.38Å; L145-L170 HydrophobicContact CB-CD1 3.83Å; A146-L170 HydrophobicContact CB-CD1 4.12Å; K149-L170 PolarHBondContact NZ-O 2.78Å; L151-L170 HydrophobicContact CD1-CD2 4.18Å; L153-L170 HydrophobicContact CD2-CD2 4.12Å; V156-L170 HydrophobicContact CG1-CD2 4.23Å; V156-L170 HydrophobicContact CG2-CD2 4.07Å; I165-L170 HydrophobicContact CG2-CD2 4.46Å; A167-L170 PolarHBondContact O-N 2.93Å; A167-L170 VanDerWaalsContact O-N 3.16Å; A168-L170 PolarHBondContact O-N 3.32Å
171A68.4Low61.6Low82 Ų8279.2 Ų79.268%0.67855%0.545SS*.SBendtrans-75.8-31.3-178.900000112.4A168A168-A171 WeakPolarHBondContact O-CB 3.19Å; A168-A171 PolarHBondContact O-N 2.66Å
172G61.3Low60.9Low69 Ų6979 Ų7971%0.71155%0.547SS*.SBendtrans-103.3-6.9-177.300000115.6T174G172-T174 PolarHBondContact O-N 3Å
173V58Low59.9Low51 Ų5177.3 Ų77.331%0.30954%0.54SS..  trans-87.894-179.1-174.40000108.5L151 V156 D169L151-V173 HydrophobicContact CD2-CG1 4.06Å; V156-V173 HydrophobicContact CG1-CG2 4.43Å; V156-V173 HydrophobicContact CG2-CG1 4.38Å; V156-V173 HydrophobicContact CG2-CG2 4.3Å; D169-V173 WeakPolarHBondContact O-CG2 3.23Å
174T53.5Low59Low128 Ų12882.4 Ų82.479%0.78555%0.554SS**PPolyproline II helixtrans-74125.2164.540.30000108.2G172G172-T174 PolarHBondContact O-N 3Å
175A51.2Low57.9Low53 Ų5380.9 Ų80.944%0.43857%0.566SS.*PPolyproline II helixtrans-52.7130176.600000109L151 V177L151-A175 HydrophobicContact CD2-CB 3.9Å; A175-V177 PolarHBondContact O-N 2.94Å
176P45.8Very low56.9Low112 Ų11286 Ų8673%0.72761%0.609SS**PPolyproline II helixtrans-56.1135164.7-13.726.3000106.7A178P176-A178 PolarHBondContact O-N 3.03Å
177V44.4Very low55.9Low152 Ų15286.8 Ų86.892%0.92163%0.626SS**  trans-65.875.5174.3-173.70000107.6A175 A179A175-V177 PolarHBondContact O-N 2.94Å; V177-A179 PolarHBondContact O-N 3.26Å
178A40.8Very low55.9Low85 Ų8588.2 Ų88.270%0.70264%0.644SS**  trans-73.5109.5174.100000105.7P176P176-A178 PolarHBondContact O-N 3.03Å
179A42.1Very low56.3Low79 Ų7991 Ų9165%0.65366%0.659SS**  trans-47.3134.717300000109.1V177 V181V177-A179 PolarHBondContact O-N 3.26Å; A179-V181 PolarHBondContact O-N 3.43Å
180P47.2Very low57Low123 Ų12397.9 Ų97.980%0.79968%0.684SS**  trans-64.6102.5-173.425.7-32.3000108.3S182P180-S182 PolarHBondContact O-N 3.28Å
181V45.7Very low57.9Low140 Ų140101.7 Ų101.785%0.84872%0.716SS**  trans-66.484.9158-79.40000105.8A179 A183A179-V181 PolarHBondContact O-N 3.43Å; V181-A183 PolarHBondContact O-N 2.95Å
182S50.1Low58.9Low98 Ų98104.5 Ų104.569%0.68572%0.72SS**  trans-6871170.5-164.30000108.1P180 M184P180-S182 PolarHBondContact O-N 3.28Å; S182-M184 PolarHBondContact O-N 2.81Å; S182-M184 VanDerWaalsContact O-N 3.17Å
183A47.6Very low60.2Low97 Ų97108.7 Ų108.780%0.80273%0.725SS**  trans-82.556.1157.600000107.1V181 A185V181-A183 PolarHBondContact O-N 2.95Å; A183-A185 VanDerWaalsContact C-N 3.3Å; A183-A185 PolarHBondContact O-N 3.49Å
184M52.1Low61.6Low155 Ų155114 Ų11476%0.76475%0.746SS**  trans-73.198170.2-148.9145.582.600105.1S182 A186S182-M184 PolarHBondContact O-N 2.81Å; S182-M184 VanDerWaalsContact O-N 3.17Å; M184-A186 PolarHBondContact O-N 2.7Å
185A55Low63.2Low87 Ų87112.4 Ų112.472%0.71973%0.732SS**  trans-40.7128.3168.100000107.6A183 G187A183-A185 VanDerWaalsContact C-N 3.3Å; A183-A185 PolarHBondContact O-N 3.49Å; A185-G187 WeakPolarHBondContact O-CA 3.41Å; A185-G187 PolarHBondContact O-N 3.4Å
186A54.8Low64.9Low110 Ų110113 Ų11391%0.90973%0.733SS**  trans-4688.4-17500000110.9M184 G188M184-A186 PolarHBondContact O-N 2.7Å; A186-G188 PolarHBondContact O-N 2.95Å
187G60.2Low66.7Low63 Ų63109 Ų10965%0.64971%0.705SS**PPolyproline II helixtrans-76.4127.8-174.600000106.8A185A185-G187 WeakPolarHBondContact O-CA 3.41Å; A185-G187 PolarHBondContact O-N 3.4Å
188G73.6Confident68.4Low61 Ų61105.3 Ų105.363%0.62968%0.683SS**PPolyproline II helixtrans-53157.2172.600000111.1A186 Y190A186-G188 PolarHBondContact O-N 2.95Å; G188-Y190 WeakPolarHBondContact O-CD1 3.33Å; G188-Y190 PolarHBondContact O-N 2.98Å
189S84.7Confident70.6Confident136 Ų136107.8 Ų107.895%0.95167%0.674SS**PPolyproline II helixtrans-58127173.7-176.70000110.1
190Y90.4Very high72.7Confident172 Ų172107 Ų10768%0.67566%0.657SS**  trans-130.715917264.1-90.7000109.5G188G188-Y190 WeakPolarHBondContact O-CD1 3.33Å; G188-Y190 PolarHBondContact O-N 2.98Å
191A89.1Confident74.5Confident82 Ų82102.6 Ų102.668%0.67863%0.628SS**  trans-128.7121175.200000109
192D90Very high76.4Confident142 Ų14298.6 Ų98.676%0.75960%0.601SS**PPolyproline II helixtrans-80.5118.8173.2-67.1-31.6000108.8
193L87.5Confident78.2Confident157 Ų15796.6 Ų96.682%0.82259%0.591SS**PPolyproline II helixtrans-99.8126.1175.4-60.6178.8000109
194E87.8Confident80.3Confident161 Ų16198.9 Ų98.975%0.75258%0.578SS**PPolyproline II helixtrans-65136.5177.4-167.9174.1-173.400111.2K53 S196K53-E194 IonicContact NZ-OE1 2.69Å; K53-E194 PolarHBondContact NZ-OE1 3.45Å; E194-S196 PolarHBondContact O-N 3.01Å
195I87.9Confident82Confident96 Ų9696.9 Ų96.949%0.49256%0.562SS.*PPolyproline II helixtrans-81.4119.5179.6-50.9177.7000108.7R199 Q200I195-R199 HydrophobicContact CG2-CB 3.94Å; I195-R199 HydrophobicContact CG2-CG 4.07Å; I195-Q200 HydrophobicContact CB-CG 4.3Å; I195-Q200 HydrophobicContact CG2-CG 3.56Å
196S85.4Confident83.7Confident64 Ų6496.4 Ų96.445%0.44855%0.547SS..PPolyproline II helixtrans-69.6155.1172.7690000112.1E194 V198 R199 Q200E194-S196 PolarHBondContact O-N 3.01Å; S196-V198 VanDerWaalsContact C-N 3.32Å; S196-V198 PolarHBondContact O-N 3.37Å; S196-R199 WeakPolarHBondContact O-CB 3.24Å; S196-R199 PolarHBondContact O-N 2.99Å; S196-R199 WeakPolarHBondContact OG-CB 3.39Å; S196-R199 PolarHBondContact OG-N 3.01Å; S196-Q200 PolarHBondContact O-N 3.35Å
197N83.8Confident85.5Confident28 Ų2896.6 Ų96.615%0.1553%0.532CS..Hα-helixtrans-53.9-47177-176.432.5000112.1N5 E27 R199 Q200 V201N5-N197 VanDerWaalsContact ND2-CG 3.32Å; N5-N197 PolarHBondContact ND2-OD1 3.27Å; E27-N197 PolarHBondContact OE1-ND2 2.96Å; E27-N197 VanDerWaalsContact OE1-ND2 3.1Å; N197-R199 VanDerWaalsContact C-N 3.27Å; N197-R199 PolarHBondContact O-N 3.13Å; N197-Q200 WeakPolarHBondContact O-CB 3.5Å; N197-Q200 PolarHBondContact O-N 2.56Å; N197-Q200 VanDerWaalsContact O-N 3.13Å; N197-V201 WeakPolarHBondContact O-CG2 3.41Å; N197-V201 PolarHBondContact O-N 3.24Å
198V81.2Confident87.1Confident76 Ų7698.4 Ų98.446%0.46152%0.524SS..Hα-helixtrans-56.3-41.7175.5178.70000111.6S196 V201 I202S196-V198 VanDerWaalsContact C-N 3.32Å; S196-V198 PolarHBondContact O-N 3.37Å; V198-V201 PolarHBondContact O-N 2.76Å; V198-I202 HydrophobicContact CG1-CD1 3.98Å; V198-I202 VanDerWaalsContact O-CG1 3.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.44Å; V198-I202 PolarHBondContact O-N 3.07Å
199R85.6Confident88Confident137 Ų13795.5 Ų95.552%0.51749%0.494SS..Hα-helixtrans-71.3-34.8179.6-170153.7-68.1-144.5-1.2112.5I195 S196 N197 I202 A203I195-R199 HydrophobicContact CG2-CB 3.94Å; I195-R199 HydrophobicContact CG2-CG 4.07Å; S196-R199 WeakPolarHBondContact O-CB 3.24Å; S196-R199 PolarHBondContact O-N 2.99Å; S196-R199 WeakPolarHBondContact OG-CB 3.39Å; S196-R199 PolarHBondContact OG-N 3.01Å; N197-R199 VanDerWaalsContact C-N 3.27Å; N197-R199 PolarHBondContact O-N 3.13Å; R199-I202 PolarHBondContact O-N 2.86Å; R199-A203 WeakPolarHBondContact O-CB 3.49Å; R199-A203 PolarHBondContact O-N 2.72Å
200Q87.4Confident88.5Confident63 Ų6394.2 Ų94.229%0.29447%0.471SS..Hα-helixtrans-62.4-44.3171.1-70.4-179.3-38.300111.5I195 S196 N197 I202 A203 R204I195-Q200 HydrophobicContact CB-CG 4.3Å; I195-Q200 HydrophobicContact CG2-CG 3.56Å; S196-Q200 PolarHBondContact O-N 3.35Å; N197-Q200 WeakPolarHBondContact O-CB 3.5Å; N197-Q200 PolarHBondContact O-N 2.56Å; N197-Q200 VanDerWaalsContact O-N 3.13Å; Q200-I202 PolarHBondContact O-N 2.82Å; Q200-A203 PolarHBondContact O-N 3.03Å; Q200-R204 PolarHBondContact O-N 3.39Å
201V85.6Confident88.7Confident29 Ų2990.8 Ų90.818%0.17647%0.468CS..Hα-helixtrans-61.5-451771750000111.2D29 N197 V198 R204 R205D29-V201 HydrophobicContact CB-CG2 4.15Å; N197-V201 WeakPolarHBondContact O-CG2 3.41Å; N197-V201 PolarHBondContact O-N 3.24Å; V198-V201 PolarHBondContact O-N 2.76Å; V201-R204 PolarHBondContact O-N 2.85Å; V201-R205 WeakPolarHBondContact O-CG 3.39Å; V201-R205 PolarHBondContact O-N 3.33Å
202I85.7Confident88.9Confident57 Ų5791.2 Ų91.229%0.29246%0.459SS..Hα-helixtrans-59.4-48.8175.3-68.3165.5000110.3V198 R199 Q200 R204 R205 L206V198-I202 HydrophobicContact CG1-CD1 3.98Å; V198-I202 VanDerWaalsContact O-CG1 3.29Å; V198-I202 WeakPolarHBondContact O-CG1 3.44Å; V198-I202 PolarHBondContact O-N 3.07Å; R199-I202 PolarHBondContact O-N 2.86Å; Q200-I202 PolarHBondContact O-N 2.82Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 2.63Å; I202-R205 PolarHBondContact O-N 2.86Å; I202-L206 HydrophobicContact CG2-CD1 3.59Å; I202-L206 HydrophobicContact CG2-CG 4.05Å; I202-L206 WeakPolarHBondContact O-CB 3.21Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.11Å; I202-L206 PolarHBondContact O-N 3.41Å
203A87.5Confident89.1Confident56 Ų5685 Ų8546%0.46343%0.426SS..Hα-helixtrans-58.2-45.9-179.600000112R199 Q200 L207R199-A203 WeakPolarHBondContact O-CB 3.49Å; R199-A203 PolarHBondContact O-N 2.72Å; Q200-A203 PolarHBondContact O-N 3.03Å; A203-L207 WeakPolarHBondContact O-CB 3.17Å; A203-L207 PolarHBondContact O-N 3.36Å
204R90Very high89.5Confident145 Ų14580.5 Ų80.555%0.54741%0.406SS..Hα-helixtrans-60.5-48.2176.9-175.5173.766.7124.8-4.2111.9Q200 V201 I202 L207 E208Q200-R204 PolarHBondContact O-N 3.39Å; V201-R204 PolarHBondContact O-N 2.85Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 2.63Å; R204-L207 PolarHBondContact O-N 3.47Å; R204-E208 WeakPolarHBondContact O-CB 3.33Å; R204-E208 PolarHBondContact O-N 3.41Å
205R89.1Confident89.9Confident112 Ų11274.3 Ų74.342%0.42338%0.377SS..Hα-helixtrans-66-41.4-179.1-76.1-173.8171.2-149.2-5.6113V201 I202 E208 S209V201-R205 WeakPolarHBondContact O-CG 3.39Å; V201-R205 PolarHBondContact O-N 3.33Å; I202-R205 PolarHBondContact O-N 2.86Å; R205-E208 PolarHBondContact O-N 3.25Å; R205-S209 WeakPolarHBondContact O-CB 3.41Å; R205-S209 PolarHBondContact O-N 3.3Å
206L90.5Very high90.2Very high78 Ų7874.2 Ų74.241%0.40837%0.371SS..Hα-helixtrans-66.7-39.7177.7-68.5179000111.5I202 S209 K210 I350I202-L206 HydrophobicContact CG2-CD1 3.59Å; I202-L206 HydrophobicContact CG2-CG 4.05Å; I202-L206 WeakPolarHBondContact O-CB 3.21Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.11Å; I202-L206 PolarHBondContact O-N 3.41Å; L206-S209 PolarHBondContact O-N 3.34Å; L206-K210 WeakPolarHBondContact O-CB 3.41Å; L206-K210 PolarHBondContact O-N 2.99Å; L206-I350 HydrophobicContact CD2-CB 4.24Å; L206-I350 HydrophobicContact CD2-CD1 4.09Å; L206-I350 HydrophobicContact CD2-CG2 3.94Å
207L93.5Very high90.8Very high113 Ų11374.9 Ų74.959%0.59236%0.364SS*.Hα-helixtrans-63.5-47.3174.3-178.765000111.2A203 R204 S209 K210 V211A203-L207 WeakPolarHBondContact O-CB 3.17Å; A203-L207 PolarHBondContact O-N 3.36Å; R204-L207 PolarHBondContact O-N 3.47Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.17Å; L207-K210 PolarHBondContact O-N 3.39Å; L207-K210 VanDerWaalsContact O-N 3.17Å; L207-V211 HydrophobicContact CD1-CG2 3.73Å; L207-V211 HydrophobicContact CG-CG2 4.17Å; L207-V211 WeakPolarHBondContact O-CB 3.5Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.45Å; L207-V211 PolarHBondContact O-N 3.21Å
208E91.9Very high91.4Very high101 Ų10174.9 Ų74.947%0.47236%0.364SS..Hα-helixtrans-55.9-47.7176.8-172.2-173168.400111.4R204 R205 K210 N212R204-E208 WeakPolarHBondContact O-CB 3.33Å; R204-E208 PolarHBondContact O-N 3.41Å; R205-E208 PolarHBondContact O-N 3.25Å; E208-K210 PolarHBondContact O-N 2.72Å; E208-N212 VanDerWaalsContact CG-ND2 3.33Å; E208-N212 WeakPolarHBondContact CG-ND2 3.49Å; E208-N212 VanDerWaalsContact O-CB 3.24Å; E208-N212 WeakPolarHBondContact O-CB 3.29Å; E208-N212 PolarHBondContact O-N 2.98Å; E208-N212 PolarHBondContact O-ND2 2.91Å
209S93.8Very high92.1Very high1 Ų175.5 Ų75.51%0.00737%0.365CS..Hα-helixtrans-58.3-48.9175.4179.60000111.4R205 L206 L207 V211 I213 H215 I350 I351R205-S209 WeakPolarHBondContact O-CB 3.41Å; R205-S209 PolarHBondContact O-N 3.3Å; L206-S209 PolarHBondContact O-N 3.34Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.17Å; S209-V211 PolarHBondContact O-N 2.87Å; S209-I213 WeakPolarHBondContact O-CB 3.41Å; S209-I213 WeakPolarHBondContact O-CG1 3.2Å; S209-I213 PolarHBondContact O-N 3.21Å; S209-H215 PolarHBondContact O-CE1 3.03Å; S209-I350 WeakPolarHBondContact OG-CG2 3.45Å; S209-I351 WeakPolarHBondContact CB-O 3.47Å; S209-I351 PolarHBondContact OG-O 3.18Å
210K94.2Very high92.6Very high109 Ų10971 Ų7147%0.47435%0.351SS..Hα-helixtrans-71.9-30.1-174.4-162.864.5176.9-176.20113.8L206 L207 E208 Y217L206-K210 WeakPolarHBondContact O-CB 3.41Å; L206-K210 PolarHBondContact O-N 2.99Å; L207-K210 PolarHBondContact O-N 3.39Å; L207-K210 VanDerWaalsContact O-N 3.17Å; E208-K210 PolarHBondContact O-N 2.72Å; K210-Y217 PolarHBondContact NZ-OH 2.89Å
211V94.9Very high93Very high100 Ų10070.6 Ų70.661%0.60635%0.351SS*.Hα-helixtrans-83.1-44.9179.6172.80000111.3L207 S209L207-V211 HydrophobicContact CD1-CG2 3.73Å; L207-V211 HydrophobicContact CG-CG2 4.17Å; L207-V211 WeakPolarHBondContact O-CB 3.5Å; L207-V211 VanDerWaalsContact O-CG2 3.29Å; L207-V211 WeakPolarHBondContact O-CG2 3.45Å; L207-V211 PolarHBondContact O-N 3.21Å; S209-V211 PolarHBondContact O-N 2.87Å
212N93.6Very high93.5Very high90 Ų9069.2 Ų69.248%0.48134%0.342SS..Hα-helixtrans-91.8-19.2-170.5-63-37.4000113.8E208 R391E208-N212 VanDerWaalsContact CG-ND2 3.33Å; E208-N212 WeakPolarHBondContact CG-ND2 3.49Å; E208-N212 VanDerWaalsContact O-CB 3.24Å; E208-N212 WeakPolarHBondContact O-CB 3.29Å; E208-N212 PolarHBondContact O-N 2.98Å; E208-N212 PolarHBondContact O-ND2 2.91Å; N212-R391 PolarHBondContact O-NH1 2.9Å
213I95.1Very high93.9Very high12 Ų1269 Ų696%0.06234%0.34CS..SBendtrans-102.7116.1-179.6-51.9-174.1000109.9S209 H215 I351 P353 D389S209-I213 WeakPolarHBondContact O-CB 3.41Å; S209-I213 WeakPolarHBondContact O-CG1 3.2Å; S209-I213 PolarHBondContact O-N 3.21Å; I213-H215 PolarHBondContact O-N 2.69Å; I213-H215 PolarHBondContact O-ND1 2.96Å; I213-I351 HydrophobicContact CD1-CB 4.27Å; I213-I351 HydrophobicContact CD1-CG2 3.95Å; I213-I351 HydrophobicContact CG2-CD1 3.79Å; I213-P353 HydrophobicContact CD1-CB 4.32Å; I213-P353 HydrophobicContact CD1-CG 3.85Å; I213-D389 HydrophobicContact CG2-CB 3.6Å; I213-D389 VanDerWaalsContact CG2-CG 3.42Å
214P95.3Very high94.2Very high63 Ų6366.5 Ų66.541%0.40932%0.319SS..  trans-70.594.4170.129.6-31.7000109.2Y216 H390 R391P214-Y216 PolarHBondContact O-N 3.04Å; P214-H390 HydrophobicContact CB-CB 4.34Å; P214-H390 HydrophobicContact CG-CB 4.19Å; P214-H390 VanDerWaalsContact O-CB 3.29Å; P214-H390 WeakPolarHBondContact O-CB 3.4Å; P214-H390 PolarHBondContact O-N 3.49Å; P214-R391 HydrophobicContact CG-CG 3.65Å
215H95.1Very high94.4Very high31 Ų3161 Ų6114%0.14430%0.3CS..EExtended strand (participates in β ladder)trans-70.4126.3-179-73.856.1000110.8S209 I213 Y217 I351 C388S209-H215 PolarHBondContact O-CE1 3.03Å; I213-H215 PolarHBondContact O-N 2.69Å; I213-H215 PolarHBondContact O-ND1 2.96Å; H215-Y217 HydrophobicContact CB-CE1 4.08Å; H215-Y217 HydrophobicContact CB-CE2 3.97Å; H215-Y217 WeakPolarHBondContact CB-OH 3.22Å; H215-Y217 PolarHBondContact CD2-OH 3.03Å; H215-I351 PolarHBondContact NE2-N 2.92Å; H215-I351 VanDerWaalsContact NE2-N 3.17Å; H215-C388 CarbonylContact C-O 3.52Å; H215-C388 WeakPolarHBondContact CA-O 3.38Å
216Y94.9Very high94.6Very high94 Ų9460 Ų6037%0.36930%0.3SS..EExtended strand (participates in β ladder)trans-113.7132.9170.9-166.7-98.6000109.7P214 L218 C388 H390P214-Y216 PolarHBondContact O-N 3.04Å; Y216-L218 HydrophobicContact CD1-CD2 4.35Å; Y216-L218 HydrophobicContact CD1-CG 4.07Å; Y216-L218 HydrophobicContact CE1-CD1 4.47Å; Y216-L218 HydrophobicContact CE1-CD2 3.68Å; Y216-L218 HydrophobicContact CE1-CG 3.92Å; Y216-C388 PolarHBondContact N-O 3.44Å; Y216-C388 PolarHBondContact O-N 2.79Å; Y216-H390 AromaticContact CG-ND1 3.96Å
217Y97.2Very high94.8Very high77 Ų7756.2 Ų56.230%0.30228%0.281SS..EExtended strand (participates in β ladder)trans-114.7128.3-171.3-57.4-70.3000111.2K210 H215 T385 L386 S387K210-Y217 PolarHBondContact NZ-OH 2.89Å; H215-Y217 HydrophobicContact CB-CE1 4.08Å; H215-Y217 HydrophobicContact CB-CE2 3.97Å; H215-Y217 WeakPolarHBondContact CB-OH 3.22Å; H215-Y217 PolarHBondContact CD2-OH 3.03Å; Y217-T385 HydrophobicContact CD1-CG2 4.49Å; Y217-L386 WeakPolarHBondContact CA-O 3.4Å; Y217-S387 WeakPolarHBondContact CD1-OG 3.46Å; Y217-S387 WeakPolarHBondContact CE1-OG 3.21Å
218L96.7Very high94.8Very high29 Ų2952.7 Ų52.715%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-123.6132176.2-68.3169.6000109.5Y216 T385 L386 L402Y216-L218 HydrophobicContact CD1-CD2 4.35Å; Y216-L218 HydrophobicContact CD1-CG 4.07Å; Y216-L218 HydrophobicContact CE1-CD1 4.47Å; Y216-L218 HydrophobicContact CE1-CD2 3.68Å; Y216-L218 HydrophobicContact CE1-CG 3.92Å; L218-T385 CarbonylContact O-C 3.46Å; L218-T385 WeakPolarHBondContact O-CA 3.38Å; L218-L386 PolarHBondContact N-O 2.84Å; L218-L386 PolarHBondContact O-N 3.16Å; L218-L402 HydrophobicContact CB-CD1 3.43Å; L218-L402 VanDerWaalsContact CB-CD1 3.43Å; L218-L402 HydrophobicContact CD1-CD1 4.33Å
219N96.6Very high94.9Very high89 Ų8953.3 Ų53.348%0.47627%0.265SS..EExtended strand (participates in β ladder)trans-120.8136.2-176.4-54.1-57000110V384 T385N219-V384 WeakPolarHBondContact CA-O 3.21Å; N219-T385 WeakPolarHBondContact OD1-CB 3.29Å; N219-T385 WeakPolarHBondContact OD1-CG2 3.33Å; N219-T385 PolarHBondContact OD1-OG1 3.49Å
220I96.3Very high94.8Very high42 Ų4256 Ų5622%0.21528%0.279CS..EExtended strand (participates in β ladder)trans-139.1152.5168.358.3160.6000110.4V222 V384 L402 K406I220-V222 HydrophobicContact CD1-CG2 3.74Å; I220-V222 HydrophobicContact CG1-CG2 4.18Å; I220-V384 HydrophobicContact CD1-CG2 4.07Å; I220-V384 HydrophobicContact CG1-CG2 3.52Å; I220-V384 PolarHBondContact N-O 2.95Å; I220-V384 PolarHBondContact O-N 2.87Å; I220-L402 HydrophobicContact CD1-CB 3.89Å; I220-L402 HydrophobicContact CD1-CD2 3.9Å; I220-L402 HydrophobicContact CD1-CG 4.39Å; I220-L402 WeakPolarHBondContact CD1-O 3.37Å; I220-L402 HydrophobicContact CG1-CB 4.33Å; I220-L402 HydrophobicContact CG1-CD1 4.33Å; I220-L402 HydrophobicContact CG1-CD2 3.88Å; I220-L402 HydrophobicContact CG1-CG 4.42Å; I220-L402 HydrophobicContact CG2-CB 4.39Å; I220-L402 HydrophobicContact CG2-CD1 4.15Å; I220-K406 HydrophobicContact CD1-CB 3.8Å; I220-K406 HydrophobicContact CD1-CD 4.23Å; I220-K406 HydrophobicContact CD1-CG 4.43Å
221D95.5Very high94.8Very high55 Ų5553.8 Ų53.829%0.29427%0.267SS..EExtended strand (participates in β ladder)trans-99135.3166.3-57.1-41.2000109.4R346 L381 S383 K406D221-R346 VanDerWaalsContact CG-NH2 3.26Å; D221-R346 IonicContact OD1-CZ 2.63Å; D221-R346 IonicContact OD1-NE 3.03Å; D221-R346 IonicContact OD1-NH2 2.91Å; D221-R346 PolarHBondContact OD1-NH2 3.25Å; D221-R346 IonicContact OD2-NH2 2.72Å; D221-R346 PolarHBondContact OD2-NH2 2.95Å; D221-L381 HydrophobicContact CB-CD1 4.09Å; D221-S383 WeakPolarHBondContact OD1-CB 3.5Å; D221-S383 PolarHBondContact OD1-OG 3.18Å; D221-K406 WeakPolarHBondContact O-CE 3.3Å; D221-K406 PolarHBondContact O-NZ 2.85Å
222V95.7Very high94.7Very high0 Ų054.1 Ų54.10%026%0.262CS..EExtended strand (participates in β ladder)trans-118.9126.9-175.3-178.90000109.2I220 I224 L381 M382 V384 F405 K406 M409 E410I220-V222 HydrophobicContact CD1-CG2 3.74Å; I220-V222 HydrophobicContact CG1-CG2 4.18Å; V222-I224 HydrophobicContact CG1-CG2 4.19Å; V222-L381 CarbonylContact O-C 3.49Å; V222-L381 WeakPolarHBondContact O-CA 3.33Å; V222-M382 PolarHBondContact N-O 3.17Å; V222-M382 PolarHBondContact O-N 2.99Å; V222-V384 HydrophobicContact CG2-CG2 4.09Å; V222-F405 HydrophobicContact CG2-CE1 4.39Å; V222-K406 HydrophobicContact CG2-CB 4.42Å; V222-K406 HydrophobicContact CG2-CG 4.33Å; V222-M409 HydrophobicContact CG1-CB 3.4Å; V222-M409 VanDerWaalsContact CG1-CB 3.4Å; V222-M409 HydrophobicContact CG1-CG 4.22Å; V222-E410 HydrophobicContact CG1-CG 4.29Å
223E94.7Very high94.6Very high53 Ų5355.7 Ų55.725%0.24827%0.265CS..EExtended strand (participates in β ladder)trans-75.8122.9171.7-174.7177153.200109.8K379 L381 E410E223-K379 IonicContact OE1-NZ 3.21Å; E223-K379 WeakPolarHBondContact OE2-CD 3.5Å; E223-K379 WeakPolarHBondContact OE2-CE 3.41Å; E223-K379 IonicContact OE2-NZ 2.74Å; E223-K379 PolarHBondContact OE2-NZ 2.67Å; E223-L381 HydrophobicContact CB-CD2 3.98Å; E223-E410 HydrophobicContact CB-CG 4.13Å; E223-E410 PolarHBondContact N-OE1 2.78Å; E223-E410 WeakPolarHBondContact O-CG 3.35Å
224I94.6Very high94.4Very high3 Ų357.2 Ų57.22%0.01527%0.273CS..  trans-113.67.7-173.862.1168000113.4V222 E226 I227 V228 L247 S364 T380 M382 M409V222-I224 HydrophobicContact CG1-CG2 4.19Å; I224-E226 VanDerWaalsContact C-N 3.32Å; I224-E226 PolarHBondContact O-N 3.46Å; I224-I227 WeakPolarHBondContact O-CB 3.24Å; I224-I227 PolarHBondContact O-N 3.49Å; I224-I227 VanDerWaalsContact O-N 3.08Å; I224-V228 HydrophobicContact CD1-CG2 4.2Å; I224-V228 HydrophobicContact CG1-CG2 4.27Å; I224-V228 WeakPolarHBondContact O-CG2 3.4Å; I224-V228 PolarHBondContact O-N 3.32Å; I224-L247 HydrophobicContact CD1-CD2 4.31Å; I224-S364 WeakPolarHBondContact CD1-OG 3.43Å; I224-T380 HydrophobicContact CD1-CG2 3.8Å; I224-T380 HydrophobicContact CG1-CG2 3.73Å; I224-T380 WeakPolarHBondContact CG1-O 3.47Å; I224-T380 PolarHBondContact N-O 3.33Å; I224-M382 HydrophobicContact CD1-CB 4.19Å; I224-M382 HydrophobicContact CG2-CB 3.89Å; I224-M382 HydrophobicContact CG2-CE 4.19Å; I224-M409 HydrophobicContact CG2-CE 4.31Å
225D94.1Very high94.3Very high28 Ų2855.3 Ų55.315%0.1526%0.259CS..Hα-helixtrans-57.9-43.6-176-67.2-58.9000112.4I227 V228 K229 K379 T380D225-I227 VanDerWaalsContact C-N 3.33Å; D225-I227 PolarHBondContact O-N 3.44Å; D225-V228 PolarHBondContact O-N 3.03Å; D225-K229 VanDerWaalsContact O-CG 3.31Å; D225-K229 WeakPolarHBondContact O-CG 3.27Å; D225-K229 PolarHBondContact O-N 3.11Å; D225-K379 WeakPolarHBondContact OD2-CA 3.22Å; D225-T380 WeakPolarHBondContact OD1-CB 3.34Å; D225-T380 PolarHBondContact OD1-N 3.35Å; D225-T380 VanDerWaalsContact OD1-N 3.14Å; D225-T380 PolarHBondContact OD1-OG1 3.27Å; D225-T380 PolarHBondContact OD2-N 3.45Å
226E93.6Very high94.2Very high91 Ų9159.6 Ų59.643%0.42528%0.279SS..Hα-helixtrans-66.8-34.3177.3-66-55.1119.100112.5I224 K229 L230 P412I224-E226 VanDerWaalsContact C-N 3.32Å; I224-E226 PolarHBondContact O-N 3.46Å; E226-K229 IonicContact OE1-NZ 3.68Å; E226-K229 PolarHBondContact OE1-NZ 3.41Å; E226-L230 VanDerWaalsContact O-CB 3.27Å; E226-L230 WeakPolarHBondContact O-CB 3.14Å; E226-L230 PolarHBondContact O-N 2.97Å; E226-P412 HydrophobicContact CB-CG 4.4Å
227I94.2Very high93.9Very high0 Ų060.8 Ų60.80%029%0.288CS..Hα-helixtrans-67.2-43.6172.3-85.8177.1000111.4I224 D225 K229 L230 R231 L247 I250 M409 P412 M415I224-I227 WeakPolarHBondContact O-CB 3.24Å; I224-I227 PolarHBondContact O-N 3.49Å; I224-I227 VanDerWaalsContact O-N 3.08Å; D225-I227 VanDerWaalsContact C-N 3.33Å; D225-I227 PolarHBondContact O-N 3.44Å; I227-K229 VanDerWaalsContact C-N 3.31Å; I227-K229 PolarHBondContact O-N 3.01Å; I227-L230 PolarHBondContact O-N 3.37Å; I227-R231 WeakPolarHBondContact O-CB 3.39Å; I227-R231 PolarHBondContact O-N 3.07Å; I227-L247 HydrophobicContact CG2-CD1 3.45Å; I227-L247 VanDerWaalsContact CG2-CD1 3.45Å; I227-I250 HydrophobicContact CD1-CG2 3.65Å; I227-I250 HydrophobicContact CG1-CG2 4.15Å; I227-I250 HydrophobicContact CG2-CD1 3.84Å; I227-I250 HydrophobicContact CG2-CG2 4.32Å; I227-M409 VanDerWaalsContact CD1-CA 3.48Å; I227-M409 HydrophobicContact CD1-CB 3.89Å; I227-M409 HydrophobicContact CD1-CE 3.34Å; I227-M409 HydrophobicContact CD1-CG 4.24Å; I227-M409 WeakPolarHBondContact CD1-O 3.38Å; I227-M409 HydrophobicContact CD1-SD 3.38Å; I227-M409 WeakPolarHBondContact CD1-SD 3.29Å; I227-M409 WeakPolarHBondContact CG1-O 3.31Å; I227-P412 HydrophobicContact CG1-CB 3.87Å; I227-P412 HydrophobicContact CG1-CG 3.95Å; I227-M415 HydrophobicContact CD1-CE 4.46Å
228V93.1Very high93.5Very high39 Ų3958 Ų5824%0.23628%0.279CS..Hα-helixtrans-62.7-43.7-179.8172.40000109.8I224 D225 R231 Q232I224-V228 HydrophobicContact CD1-CG2 4.2Å; I224-V228 HydrophobicContact CG1-CG2 4.27Å; I224-V228 WeakPolarHBondContact O-CG2 3.4Å; I224-V228 PolarHBondContact O-N 3.32Å; D225-V228 PolarHBondContact O-N 3.03Å; V228-R231 PolarHBondContact O-N 3.39Å; V228-Q232 VanDerWaalsContact O-CG 3.29Å; V228-Q232 WeakPolarHBondContact O-CG 3.41Å; V228-Q232 PolarHBondContact O-N 2.83Å
229K94Very high93Very high114 Ų11463.6 Ų63.650%0.49630%0.301SS..Hα-helixtrans-62.1-49.5174.2-69.8172.7-166.4166.60112.1D225 E226 I227 R231 Q232 K233D225-K229 VanDerWaalsContact O-CG 3.31Å; D225-K229 WeakPolarHBondContact O-CG 3.27Å; D225-K229 PolarHBondContact O-N 3.11Å; E226-K229 IonicContact OE1-NZ 3.68Å; E226-K229 PolarHBondContact OE1-NZ 3.41Å; I227-K229 VanDerWaalsContact C-N 3.31Å; I227-K229 PolarHBondContact O-N 3.01Å; K229-R231 VanDerWaalsContact C-N 3.32Å; K229-R231 PolarHBondContact O-N 2.92Å; K229-Q232 PolarHBondContact O-N 2.56Å; K229-K233 PolarHBondContact O-N 2.98Å
230L92Very high92.3Very high57 Ų5768.5 Ų68.530%0.29832%0.322SS..Hα-helixtrans-59-46.3178.5177.464.6000111E226 I227 Q232 K233 L234 P412E226-L230 VanDerWaalsContact O-CB 3.27Å; E226-L230 WeakPolarHBondContact O-CB 3.14Å; E226-L230 PolarHBondContact O-N 2.97Å; I227-L230 PolarHBondContact O-N 3.37Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 3.04Å; L230-K233 PolarHBondContact O-N 3.48Å; L230-L234 HydrophobicContact CD1-CD1 3.99Å; L230-L234 HydrophobicContact CD1-CG 4.03Å; L230-L234 HydrophobicContact CD2-CD1 4.38Å; L230-L234 HydrophobicContact CG-CD1 3.84Å; L230-L234 HydrophobicContact CG-CG 4.27Å; L230-L234 WeakPolarHBondContact O-CB 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 2.9Å; L230-P412 HydrophobicContact CB-CG 4.35Å; L230-P412 HydrophobicContact CD2-CB 3.53Å; L230-P412 HydrophobicContact CD2-CG 3.7Å
231R92.9Very high91.7Very high63 Ų6372 Ų7224%0.23834%0.337CS..Hα-helixtrans-62.3-38.1178.7-171.9-174.272.1104.1-2.3111.8I227 V228 K229 N235 L245 I250I227-R231 WeakPolarHBondContact O-CB 3.39Å; I227-R231 PolarHBondContact O-N 3.07Å; V228-R231 PolarHBondContact O-N 3.39Å; K229-R231 VanDerWaalsContact C-N 3.32Å; K229-R231 PolarHBondContact O-N 2.92Å; R231-N235 WeakPolarHBondContact O-CB 3.38Å; R231-N235 PolarHBondContact O-N 3.04Å; R231-N235 PolarHBondContact O-ND2 2.89Å; R231-N235 VanDerWaalsContact O-ND2 3.12Å; R231-L245 WeakPolarHBondContact CD-O 3.48Å; R231-L245 HydrophobicContact CG-CB 4.43Å; R231-L245 PolarHBondContact NH1-O 3Å; R231-I250 HydrophobicContact CB-CD1 4.05Å; R231-I250 HydrophobicContact CG-CD1 4.22Å
232Q92.9Very high91.1Very high106 Ų10676.8 Ų76.850%0.49536%0.363SS..Hα-helixtrans-62.7-50174.4-77.5170.8-1200111V228 K229 L230 N235 E236V228-Q232 VanDerWaalsContact O-CG 3.29Å; V228-Q232 WeakPolarHBondContact O-CG 3.41Å; V228-Q232 PolarHBondContact O-N 2.83Å; K229-Q232 PolarHBondContact O-N 2.56Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 3.04Å; Q232-N235 PolarHBondContact O-N 3.1Å; Q232-E236 WeakPolarHBondContact O-CG 3.36Å; Q232-E236 PolarHBondContact O-N 3.1Å
233K92.4Very high90.7Very high124 Ų12481.4 Ų81.454%0.53938%0.38SS..Hα-helixtrans-59.5-49.4178.4-173.6-176.6175.9-171.20112.3K229 L230 N235 E236 E237K229-K233 PolarHBondContact O-N 2.98Å; L230-K233 PolarHBondContact O-N 3.48Å; K233-N235 VanDerWaalsContact C-N 3.31Å; K233-N235 PolarHBondContact O-N 3.06Å; K233-E236 WeakPolarHBondContact O-CB 2.99Å; K233-E236 PolarHBondContact O-N 2.79Å; K233-E236 VanDerWaalsContact O-N 3.1Å; K233-E237 WeakPolarHBondContact CE-OE1 3.47Å; K233-E237 PolarHBondContact O-N 3.08Å
234L91Very high90.5Very high43 Ų4385.6 Ų85.623%0.22540%0.398CS..Hα-helixtrans-62.2-40.4178.2-68.3175.9000111.6L230 E236 E237 L238 L245L230-L234 HydrophobicContact CD1-CD1 3.99Å; L230-L234 HydrophobicContact CD1-CG 4.03Å; L230-L234 HydrophobicContact CD2-CD1 4.38Å; L230-L234 HydrophobicContact CG-CD1 3.84Å; L230-L234 HydrophobicContact CG-CG 4.27Å; L230-L234 WeakPolarHBondContact O-CB 3.29Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 2.9Å; L234-E236 PolarHBondContact O-N 2.93Å; L234-E237 PolarHBondContact O-N 3.38Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 WeakPolarHBondContact O-CD1 3.14Å; L234-L238 WeakPolarHBondContact O-CG 3.32Å; L234-L238 PolarHBondContact O-N 3.45Å; L234-L245 HydrophobicContact CB-CD1 3.95Å; L234-L245 HydrophobicContact CD1-CD1 3.79Å
235N92.7Very high90.4Very high24 Ų2485.6 Ų85.613%0.12840%0.398CS..Hα-helixtrans-68.2-22.5176.7-78.6-26000113.4R231 Q232 K233 K239 L245R231-N235 WeakPolarHBondContact O-CB 3.38Å; R231-N235 PolarHBondContact O-N 3.04Å; R231-N235 PolarHBondContact O-ND2 2.89Å; R231-N235 VanDerWaalsContact O-ND2 3.12Å; Q232-N235 PolarHBondContact O-N 3.1Å; K233-N235 VanDerWaalsContact C-N 3.31Å; K233-N235 PolarHBondContact O-N 3.06Å; N235-K239 VanDerWaalsContact O-CG 3.3Å; N235-K239 WeakPolarHBondContact O-CG 3.43Å; N235-K239 PolarHBondContact O-N 2.89Å; N235-L245 PolarHBondContact ND2-O 3.01Å; N235-L245 VanDerWaalsContact ND2-O 3.08Å; N235-L245 PolarHBondContact OD1-N 2.72Å
236E92.9Very high90.3Very high120 Ų12086.3 Ų86.356%0.56141%0.405SS*.Hα-helixtrans-73.7-43.6172.8-75.3171.5179.200111.6Q232 K233 L234 L238 K239Q232-E236 WeakPolarHBondContact O-CG 3.36Å; Q232-E236 PolarHBondContact O-N 3.1Å; K233-E236 WeakPolarHBondContact O-CB 2.99Å; K233-E236 PolarHBondContact O-N 2.79Å; K233-E236 VanDerWaalsContact O-N 3.1Å; L234-E236 PolarHBondContact O-N 2.93Å; E236-L238 VanDerWaalsContact C-N 3.32Å; E236-K239 WeakPolarHBondContact O-CB 3.49Å; E236-K239 PolarHBondContact O-N 2.82Å
237E89.1Confident90.3Very high120 Ų12083.7 Ų83.756%0.56139%0.394SS*.Hα-helixtrans-64.6-37.6175.3-67.4172.8-169.900111.3K233 L234 K239K233-E237 WeakPolarHBondContact CE-OE1 3.47Å; K233-E237 PolarHBondContact O-N 3.08Å; L234-E237 PolarHBondContact O-N 3.38Å; E237-K239 VanDerWaalsContact C-N 3.28Å; E237-K239 PolarHBondContact O-N 3.11Å
238L88.9Confident90.3Very high19 Ų1985 Ų8510%0.09940%0.4CS..THydrogen-bonded Turntrans-80.1-0.8179.8-65.9167.2000114.6L234 E236 E240 E241 N242 R243 L245 L306L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 WeakPolarHBondContact O-CD1 3.14Å; L234-L238 WeakPolarHBondContact O-CG 3.32Å; L234-L238 PolarHBondContact O-N 3.45Å; E236-L238 VanDerWaalsContact C-N 3.32Å; L238-E240 VanDerWaalsContact C-N 3.26Å; L238-E240 PolarHBondContact O-N 3.02Å; L238-E241 PolarHBondContact O-N 2.84Å; L238-N242 PolarHBondContact O-N 3.42Å; L238-R243 HydrophobicContact CB-CB 4.35Å; L238-R243 PolarHBondContact O-N 3.09Å; L238-L245 HydrophobicContact CD1-CD1 3.99Å; L238-L245 HydrophobicContact CD1-CG 3.91Å; L238-L306 HydrophobicContact CD1-CD2 3.64Å; L238-L306 HydrophobicContact CD2-CD1 4.15Å; L238-L306 HydrophobicContact CD2-CD2 3.79Å; L238-L306 HydrophobicContact CG-CD2 4.37Å
239K85.5Confident90.4Very high145 Ų14583.3 Ų83.363%0.6339%0.39SS*.THydrogen-bonded Turntrans-59.9-38.4178.3-78.6178.8-175.3165.30112N235 E236 E237 E241 N242N235-K239 VanDerWaalsContact O-CG 3.3Å; N235-K239 WeakPolarHBondContact O-CG 3.43Å; N235-K239 PolarHBondContact O-N 2.89Å; E236-K239 WeakPolarHBondContact O-CB 3.49Å; E236-K239 PolarHBondContact O-N 2.82Å; E237-K239 VanDerWaalsContact C-N 3.28Å; E237-K239 PolarHBondContact O-N 3.11Å; K239-E241 PolarHBondContact O-N 3.43Å; K239-N242 PolarHBondContact O-N 3.02Å
240E82.9Confident90.5Very high192 Ų19278 Ų7890%0.89737%0.367SS*.THydrogen-bonded Turntrans-65.5-32-179.2-62-171.617100111.8L238 N242L238-E240 VanDerWaalsContact C-N 3.26Å; L238-E240 PolarHBondContact O-N 3.02Å; E240-N242 VanDerWaalsContact C-N 3.33Å
241E82.1Confident90.7Very high116 Ų11675.3 Ų75.354%0.54235%0.353SS..THydrogen-bonded Turntrans-87.7-0.2178.3-60.3-176.9-172.800113.4L238 K239 R243L238-E241 PolarHBondContact O-N 2.84Å; K239-E241 PolarHBondContact O-N 3.43Å; E241-R243 HydrophobicContact CB-CB 4.45Å; E241-R243 HydrophobicContact CB-CG 4.28Å; E241-R243 PolarHBondContact O-N 3.18Å
242N83.3Confident90.8Very high155 Ų15572.3 Ų72.383%0.82934%0.342SS*.THydrogen-bonded Turntrans52.834.3-174.1-165.236.2000113.4L238 K239 E240L238-N242 PolarHBondContact O-N 3.42Å; K239-N242 PolarHBondContact O-N 3.02Å; E240-N242 VanDerWaalsContact C-N 3.33Å
243R87.3Confident91Very high97 Ų9768.3 Ų68.337%0.36632%0.323SS..  trans-109.1151.5179.2-74.4171.5166.1-144.7-16110.3L238 E241 E310L238-R243 HydrophobicContact CB-CB 4.35Å; L238-R243 PolarHBondContact O-N 3.09Å; E241-R243 HydrophobicContact CB-CB 4.45Å; E241-R243 HydrophobicContact CB-CG 4.28Å; E241-R243 PolarHBondContact O-N 3.18Å; R243-E310 IonicContact CZ-OE1 3.76Å; R243-E310 IonicContact CZ-OE2 3.81Å; R243-E310 IonicContact NE-OE1 2.72Å; R243-E310 IonicContact NH1-OE1 2.82Å; R243-E310 PolarHBondContact NH1-OE1 3.02Å; R243-E310 IonicContact NH1-OE2 3.92Å; R243-E310 IonicContact NH2-OE1 2.93Å; R243-E310 PolarHBondContact NH2-OE1 3.01Å; R243-E310 IonicContact NH2-OE2 3.62Å; R243-E310 PolarHBondContact NH2-OE2 2.84Å
244K90.2Very high91.2Very high142 Ų14262.4 Ų62.462%0.61730%0.297SS*.  trans-142.7131.1-178.3-169.9177.2-177.9177.60111.6S309K244-S309 PolarHBondContact O-OG 3.18Å
245L92.8Very high91.5Very high3 Ų360.4 Ų60.42%0.01629%0.286CS..  trans-90.3128.3170.5-61.6177.6000110.3R231 L234 N235 L238 L305 L306R231-L245 WeakPolarHBondContact CD-O 3.48Å; R231-L245 HydrophobicContact CG-CB 4.43Å; R231-L245 PolarHBondContact NH1-O 3Å; L234-L245 HydrophobicContact CB-CD1 3.95Å; L234-L245 HydrophobicContact CD1-CD1 3.79Å; N235-L245 PolarHBondContact ND2-O 3.01Å; N235-L245 VanDerWaalsContact ND2-O 3.08Å; N235-L245 PolarHBondContact OD1-N 2.72Å; L238-L245 HydrophobicContact CD1-CD1 3.99Å; L238-L245 HydrophobicContact CD1-CG 3.91Å; L245-L305 HydrophobicContact CD1-CB 4.41Å; L245-L305 HydrophobicContact CD2-CB 4.15Å; L245-L305 WeakPolarHBondContact CD2-O 3.45Å; L245-L306 HydrophobicContact CD2-CD2 4.08Å
246S93.1Very high91.7Very high43 Ų4359.2 Ų59.230%0.30128%0.28SS..  trans-91.4162.6171.282.10000110.8N248 D249S246-N248 PolarHBondContact O-N 2.69Å; S246-N248 WeakPolarHBondContact OG-CB 3.48Å; S246-N248 PolarHBondContact OG-N 2.69Å; S246-D249 WeakPolarHBondContact CA-OD2 3.32Å; S246-D249 VanDerWaalsContact CB-OD2 3.28Å; S246-D249 WeakPolarHBondContact CB-OD2 2.95Å; S246-D249 PolarHBondContact N-OD2 2.78Å; S246-D249 PolarHBondContact O-N 3.37Å; S246-D249 PolarHBondContact OG-N 3.46Å; S246-D249 PolarHBondContact OG-OD1 3.35Å; S246-D249 VanDerWaalsContact OG-OD1 3.06Å; S246-D249 PolarHBondContact OG-OD2 3.13Å
247L92.7Very high91.8Very high36 Ų3655.2 Ų55.219%0.18826%0.262CS..Hα-helixtrans-64.3-31.2170.7-179.761.2000111.1I224 I227 D249 I250 I251 M382 M409I224-L247 HydrophobicContact CD1-CD2 4.31Å; I227-L247 HydrophobicContact CG2-CD1 3.45Å; I227-L247 VanDerWaalsContact CG2-CD1 3.45Å; L247-D249 VanDerWaalsContact C-N 3.33Å; L247-D249 PolarHBondContact O-N 2.81Å; L247-I250 PolarHBondContact O-N 3.26Å; L247-I251 HydrophobicContact CG-CD1 3.93Å; L247-I251 HydrophobicContact CG-CG1 4.49Å; L247-I251 WeakPolarHBondContact O-CG1 3.22Å; L247-I251 PolarHBondContact O-N 3.42Å; L247-M382 HydrophobicContact CD2-SD 4.21Å; L247-M409 HydrophobicContact CD1-CE 4.46Å
248N94.3Very high92.2Very high26 Ų2649.5 Ų49.514%0.13924%0.235CC..Hα-helixtrans-64-38.9-179.5-161.464000111.7S246 I250 I251 I252 N338S246-N248 PolarHBondContact O-N 2.69Å; S246-N248 WeakPolarHBondContact OG-CB 3.48Å; S246-N248 PolarHBondContact OG-N 2.69Å; N248-I250 VanDerWaalsContact C-N 3.29Å; N248-I250 PolarHBondContact O-N 3.12Å; N248-I251 WeakPolarHBondContact O-CB 3.18Å; N248-I251 PolarHBondContact O-N 3.44Å; N248-I251 VanDerWaalsContact O-N 3.16Å; N248-I252 WeakPolarHBondContact ND2-CD1 3.44Å; N248-I252 WeakPolarHBondContact O-CD1 3.29Å; N248-I252 VanDerWaalsContact O-CG1 3.26Å; N248-I252 WeakPolarHBondContact O-CG1 3.32Å; N248-I252 PolarHBondContact O-N 2.97Å; N248-N338 PolarHBondContact OD1-ND2 2.63Å
249D95Very high92.6Very high4 Ų448.6 Ų48.62%0.02123%0.231CC..Hα-helixtrans-63-39.3179.1-47.2-35.1000111.2S246 L247 I252 K253 I308 S309S246-D249 WeakPolarHBondContact CA-OD2 3.32Å; S246-D249 VanDerWaalsContact CB-OD2 3.28Å; S246-D249 WeakPolarHBondContact CB-OD2 2.95Å; S246-D249 PolarHBondContact N-OD2 2.78Å; S246-D249 PolarHBondContact O-N 3.37Å; S246-D249 PolarHBondContact OG-N 3.46Å; S246-D249 PolarHBondContact OG-OD1 3.35Å; S246-D249 VanDerWaalsContact OG-OD1 3.06Å; S246-D249 PolarHBondContact OG-OD2 3.13Å; L247-D249 VanDerWaalsContact C-N 3.33Å; L247-D249 PolarHBondContact O-N 2.81Å; D249-I252 PolarHBondContact O-N 3.18Å; D249-K253 PolarHBondContact O-N 2.79Å; D249-I308 HydrophobicContact CB-CG2 4.08Å; D249-S309 WeakPolarHBondContact OD2-CB 3.31Å; D249-S309 PolarHBondContact OD2-OG 3.44Å
250I95.2Very high93Very high3 Ų346.2 Ų46.22%0.01522%0.221CC..Hα-helixtrans-68-41.5175.9-58.4172.6000110.5I227 R231 L247 N248 I252 K253 A254 L305 M409 M415I227-I250 HydrophobicContact CD1-CG2 3.65Å; I227-I250 HydrophobicContact CG1-CG2 4.15Å; I227-I250 HydrophobicContact CG2-CD1 3.84Å; I227-I250 HydrophobicContact CG2-CG2 4.32Å; R231-I250 HydrophobicContact CB-CD1 4.05Å; R231-I250 HydrophobicContact CG-CD1 4.22Å; L247-I250 PolarHBondContact O-N 3.26Å; N248-I250 VanDerWaalsContact C-N 3.29Å; N248-I250 PolarHBondContact O-N 3.12Å; I250-I252 VanDerWaalsContact C-N 3.35Å; I250-I252 PolarHBondContact O-N 2.81Å; I250-K253 PolarHBondContact O-N 3.14Å; I250-A254 VanDerWaalsContact O-CB 3.27Å; I250-A254 WeakPolarHBondContact O-CB 3.37Å; I250-A254 PolarHBondContact O-N 3.07Å; I250-L305 HydrophobicContact CG1-CD2 4.19Å; I250-M409 HydrophobicContact CG2-SD 4.26Å; I250-M415 HydrophobicContact CG2-CE 3.82Å; I250-M415 HydrophobicContact CG2-SD 4.32Å
251I96.2Very high93.6Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-62.3-42.3175.7-69.5162.4000111.2L247 N248 A254 S255 V336 L359 V361 M382 F405 M409L247-I251 HydrophobicContact CG-CD1 3.93Å; L247-I251 HydrophobicContact CG-CG1 4.49Å; L247-I251 WeakPolarHBondContact O-CG1 3.22Å; L247-I251 PolarHBondContact O-N 3.42Å; N248-I251 WeakPolarHBondContact O-CB 3.18Å; N248-I251 PolarHBondContact O-N 3.44Å; N248-I251 VanDerWaalsContact O-N 3.16Å; I251-A254 PolarHBondContact O-N 3.35Å; I251-S255 VanDerWaalsContact O-CB 3.29Å; I251-S255 WeakPolarHBondContact O-CB 3.15Å; I251-S255 PolarHBondContact O-N 2.97Å; I251-S255 PolarHBondContact O-OG 2.89Å; I251-V336 HydrophobicContact CG2-CG1 4.03Å; I251-L359 HydrophobicContact CG2-CD2 4.13Å; I251-V361 HydrophobicContact CD1-CG1 3.86Å; I251-V361 HydrophobicContact CD1-CG2 4.37Å; I251-V361 HydrophobicContact CG2-CG2 4.09Å; I251-M382 HydrophobicContact CD1-CE 4.08Å; I251-M382 HydrophobicContact CD1-SD 4.04Å; I251-M382 HydrophobicContact CG1-CE 4.29Å; I251-F405 HydrophobicContact CG2-CE2 4.27Å; I251-F405 HydrophobicContact CG2-CZ 4.16Å; I251-M409 HydrophobicContact CG1-CE 3.69Å; I251-M409 HydrophobicContact CG1-SD 4.36Å
252I96.8Very high94.3Very high0 Ų033.8 Ų33.80%017%0.171CC..Hα-helixtrans-60.3-50.6177.4-70.3155000109.7N248 D249 I250 A254 S255 A256 V282 V284 I297 A300 I308 M312N248-I252 WeakPolarHBondContact ND2-CD1 3.44Å; N248-I252 WeakPolarHBondContact O-CD1 3.29Å; N248-I252 VanDerWaalsContact O-CG1 3.26Å; N248-I252 WeakPolarHBondContact O-CG1 3.32Å; N248-I252 PolarHBondContact O-N 2.97Å; D249-I252 PolarHBondContact O-N 3.18Å; I250-I252 VanDerWaalsContact C-N 3.35Å; I250-I252 PolarHBondContact O-N 2.81Å; I252-A254 PolarHBondContact O-N 3.08Å; I252-S255 PolarHBondContact O-N 2.82Å; I252-A256 WeakPolarHBondContact O-CB 3.38Å; I252-A256 PolarHBondContact O-N 2.81Å; I252-V282 HydrophobicContact CG1-CG1 4.34Å; I252-V282 HydrophobicContact CG2-CB 4.05Å; I252-V282 HydrophobicContact CG2-CG1 4.06Å; I252-V282 HydrophobicContact CG2-CG2 4.32Å; I252-V284 HydrophobicContact CD1-CG2 3.68Å; I252-V284 HydrophobicContact CG1-CG2 3.87Å; I252-I297 HydrophobicContact CD1-CD1 3.75Å; I252-I297 HydrophobicContact CG2-CD1 4.08Å; I252-A300 HydrophobicContact CG2-CB 4.12Å; I252-I308 HydrophobicContact CB-CG2 4.11Å; I252-I308 HydrophobicContact CD1-CG2 4.24Å; I252-I308 HydrophobicContact CG2-CD1 4.5Å; I252-I308 HydrophobicContact CG2-CG2 3.86Å; I252-M312 HydrophobicContact CD1-SD 4.18Å
253K96.1Very high94.9Very high23 Ų2328.5 Ų28.510%0.115%0.145CC..Hα-helixtrans-60.8-45.7177.9-176.461.8177.8-174.50111.9D249 I250 S255 A256 L257 D301 K303 L305 I308 M415D249-K253 PolarHBondContact O-N 2.79Å; I250-K253 PolarHBondContact O-N 3.14Å; K253-S255 VanDerWaalsContact C-N 3.33Å; K253-S255 PolarHBondContact O-N 2.83Å; K253-A256 PolarHBondContact O-N 2.76Å; K253-L257 HydrophobicContact CD-CD1 4.43Å; K253-L257 HydrophobicContact CD-CG 4.36Å; K253-L257 HydrophobicContact CG-CD1 4.27Å; K253-L257 WeakPolarHBondContact O-CG 3.43Å; K253-L257 PolarHBondContact O-N 3.06Å; K253-D301 PolarHBondContact NZ-O 3.27Å; K253-K303 WeakPolarHBondContact CE-O 3.48Å; K253-K303 PolarHBondContact NZ-O 2.89Å; K253-L305 HydrophobicContact CB-CD2 3.65Å; K253-L305 HydrophobicContact CG-CD2 3.99Å; K253-I308 HydrophobicContact CB-CD1 3.85Å; K253-I308 HydrophobicContact CD-CD1 3.83Å; K253-I308 HydrophobicContact CG-CD1 4.34Å; K253-M415 HydrophobicContact CG-SD 4.35Å
254A96.6Very high95.3Very high0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-61.2-41.8177.800000112.1I250 I251 I252 A258 F405 L408 M409 M415I250-A254 VanDerWaalsContact O-CB 3.27Å; I250-A254 WeakPolarHBondContact O-CB 3.37Å; I250-A254 PolarHBondContact O-N 3.07Å; I251-A254 PolarHBondContact O-N 3.35Å; I252-A254 PolarHBondContact O-N 3.08Å; A254-A258 VanDerWaalsContact O-CB 3.27Å; A254-A258 WeakPolarHBondContact O-CB 2.71Å; A254-A258 PolarHBondContact O-N 2.82Å; A254-F405 HydrophobicContact CB-CD2 3.96Å; A254-F405 HydrophobicContact CB-CE2 3.75Å; A254-L408 HydrophobicContact CB-CB 4.31Å; A254-L408 WeakPolarHBondContact O-CD1 3.43Å; A254-M409 HydrophobicContact CB-CG 4.11Å; A254-M409 HydrophobicContact CB-SD 3.58Å; A254-M409 VanDerWaalsContact CB-SD 3.58Å; A254-M415 HydrophobicContact CB-CE 3.63Å; A254-M415 HydrophobicContact CB-SD 4.5Å
255S96.9Very high95.6Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-64.1-43.3176.9-57.20000110.8I251 I252 K253 A258 C259 F405I251-S255 VanDerWaalsContact O-CB 3.29Å; I251-S255 WeakPolarHBondContact O-CB 3.15Å; I251-S255 PolarHBondContact O-N 2.97Å; I251-S255 PolarHBondContact O-OG 2.89Å; I252-S255 PolarHBondContact O-N 2.82Å; K253-S255 VanDerWaalsContact C-N 3.33Å; K253-S255 PolarHBondContact O-N 2.83Å; S255-A258 PolarHBondContact O-N 2.91Å; S255-C259 PolarHBondContact O-N 3.17Å; S255-C259 PolarHBondContact O-SG 3.43Å; S255-C259 VanDerWaalsContact O-SG 3.38Å; S255-F405 WeakPolarHBondContact OG-CE2 3.44Å
256A96.8Very high95.7Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-63.8-45.2178.900000112.4I252 K253 C259 K260 V280 V282 A300 D301I252-A256 WeakPolarHBondContact O-CB 3.38Å; I252-A256 PolarHBondContact O-N 2.81Å; K253-A256 PolarHBondContact O-N 2.76Å; A256-C259 WeakPolarHBondContact O-CB 3.5Å; A256-C259 PolarHBondContact O-N 3.44Å; A256-K260 PolarHBondContact O-N 2.92Å; A256-K260 VanDerWaalsContact O-N 3.1Å; A256-V280 HydrophobicContact CB-CB 4.35Å; A256-V280 HydrophobicContact CB-CG1 4.08Å; A256-V282 HydrophobicContact CB-CG2 4.09Å; A256-A300 HydrophobicContact CB-CB 3.78Å; A256-D301 HydrophobicContact CB-CB 4.24Å
257L96.3Very high95.9Very high35 Ų3518.5 Ų18.518%0.18310%0.1CC..Hα-helixtrans-66.4-36.5175.5-68.5179.2000112.4K253 C259 K260 A261 L408 M415K253-L257 HydrophobicContact CD-CD1 4.43Å; K253-L257 HydrophobicContact CD-CG 4.36Å; K253-L257 HydrophobicContact CG-CD1 4.27Å; K253-L257 WeakPolarHBondContact O-CG 3.43Å; K253-L257 PolarHBondContact O-N 3.06Å; L257-C259 VanDerWaalsContact C-N 3.34Å; L257-K260 WeakPolarHBondContact O-CB 3.49Å; L257-K260 PolarHBondContact O-N 2.76Å; L257-A261 PolarHBondContact O-N 2.99Å; L257-L408 HydrophobicContact CB-CD1 3.68Å; L257-L408 HydrophobicContact CD1-CD2 4.3Å; L257-M415 HydrophobicContact CD1-CB 3.82Å; L257-M415 HydrophobicContact CD1-CG 4.01Å
258A96.7Very high96Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-64.4-38.417400000111.8A254 S255 K260 A261 V262 W401 H404 F405 L408A254-A258 VanDerWaalsContact O-CB 3.27Å; A254-A258 WeakPolarHBondContact O-CB 2.71Å; A254-A258 PolarHBondContact O-N 2.82Å; S255-A258 PolarHBondContact O-N 2.91Å; A258-K260 VanDerWaalsContact C-N 3.33Å; A258-K260 PolarHBondContact O-N 3.08Å; A258-A261 PolarHBondContact O-N 3.37Å; A258-V262 PolarHBondContact O-N 3.02Å; A258-W401 HydrophobicContact CB-CD2 4.05Å; A258-W401 HydrophobicContact CB-CG 4.36Å; A258-W401 HydrophobicContact CB-CH2 4.49Å; A258-W401 HydrophobicContact CB-CZ2 3.82Å; A258-H404 HydrophobicContact CB-CB 4.32Å; A258-F405 HydrophobicContact CB-CB 4.08Å; A258-L408 HydrophobicContact CB-CD1 4.31Å
259C96.8Very high96Very high1 Ų119.9 Ų19.91%0.00710%0.101CC..Hα-helixtrans-63.3-34.6172.2-75.70000112.9S255 A256 L257 V262 P263 N266 V280 W401S255-C259 PolarHBondContact O-N 3.17Å; S255-C259 PolarHBondContact O-SG 3.43Å; S255-C259 VanDerWaalsContact O-SG 3.38Å; A256-C259 WeakPolarHBondContact O-CB 3.5Å; A256-C259 PolarHBondContact O-N 3.44Å; L257-C259 VanDerWaalsContact C-N 3.34Å; C259-V262 CarbonylContact O-C 3.25Å; C259-P263 VanDerWaalsContact O-CA 3.32Å; C259-P263 WeakPolarHBondContact O-CA 3.49Å; C259-N266 HydrophobicContact CB-CB 4.02Å; C259-V280 HydrophobicContact CB-CB 4.46Å; C259-V280 HydrophobicContact CB-CG1 3.73Å; C259-V280 HydrophobicContact CB-CG2 3.82Å; C259-W401 PolarHBondContact SG-NE1 3.1Å
260K95Very high95.9Very high94 Ų9422.8 Ų22.841%0.40912%0.116SC..Hα-helixtrans-68-38.1171.7-79.1-71.4-170.7171.60113A256 L257 A258 P263 D278 V280 D301A256-K260 PolarHBondContact O-N 2.92Å; A256-K260 VanDerWaalsContact O-N 3.1Å; L257-K260 WeakPolarHBondContact O-CB 3.49Å; L257-K260 PolarHBondContact O-N 2.76Å; A258-K260 VanDerWaalsContact C-N 3.33Å; A258-K260 PolarHBondContact O-N 3.08Å; K260-P263 WeakPolarHBondContact O-CG 3.49Å; K260-D278 PolarHBondContact NZ-O 2.9Å; K260-V280 HydrophobicContact CD-CG2 4.38Å; K260-V280 HydrophobicContact CG-CG2 4.08Å; K260-D301 WeakPolarHBondContact CE-OD2 3.41Å; K260-D301 HydrophobicContact CG-CB 3.88Å; K260-D301 IonicContact NZ-OD2 3.66Å; K260-D301 PolarHBondContact NZ-OD2 3.25Å; K260-D301 VanDerWaalsContact NZ-OD2 3.1Å
261A94.9Very high95.6Very high48 Ų4825 Ų2540%0.39714%0.139SC..Hα-helixtrans-72.3-31.2178.700000112.6L257 A258 H404L257-A261 PolarHBondContact O-N 2.99Å; A258-A261 PolarHBondContact O-N 3.37Å; A261-H404 HydrophobicContact CB-CB 4.3Å
262V96.9Very high95.4Very high0 Ų030.3 Ų30.30%018%0.177CC..  trans-127.276.4176.5-169.60000109.5A258 C259 E264 V265 V397 R400 W401A258-V262 PolarHBondContact O-N 3.02Å; C259-V262 CarbonylContact O-C 3.25Å; V262-E264 HydrophobicContact CG1-CB 4.5Å; V262-E264 VanDerWaalsContact CG1-OE2 3.29Å; V262-E264 WeakPolarHBondContact CG1-OE2 2.99Å; V262-E264 PolarHBondContact O-N 3.48Å; V262-E264 VanDerWaalsContact O-N 3.07Å; V262-V265 HydrophobicContact CG1-CG2 4.06Å; V262-V265 PolarHBondContact O-N 3.29Å; V262-V265 VanDerWaalsContact O-N 3.08Å; V262-V397 HydrophobicContact CG1-CG1 3.9Å; V262-R400 HydrophobicContact CG2-CB 4.3Å; V262-R400 HydrophobicContact CG2-CG 3.92Å; V262-W401 HydrophobicContact CB-CB 4.27Å; V262-W401 HydrophobicContact CG1-CB 4.46Å; V262-W401 HydrophobicContact CG2-CB 4.35Å
263P95.9Very high95.3Very high43 Ų4334.1 Ų34.128%0.27920%0.2SC..THydrogen-bonded Turntrans-57.4-23.1-177.6-27.737.9000114.1C259 K260 V265 N266 S267 R276C259-P263 VanDerWaalsContact O-CA 3.32Å; C259-P263 WeakPolarHBondContact O-CA 3.49Å; K260-P263 WeakPolarHBondContact O-CG 3.49Å; P263-V265 PolarHBondContact O-N 3.23Å; P263-N266 CarbonylContact O-C 3.6Å; P263-N266 WeakPolarHBondContact O-CA 3.34Å; P263-N266 PolarHBondContact O-N 3.21Å; P263-S267 PolarHBondContact O-OG 3.38Å; P263-R276 HydrophobicContact CB-CG 4.26Å; P263-R276 WeakPolarHBondContact O-CG 3.44Å
264E95.2Very high95.2Very high70 Ų7037.2 Ų37.233%0.32722%0.216SC..THydrogen-bonded Turntrans-60.1-32.8177-54.997.9131.100112.3V262 N266 S267 V397 R400V262-E264 HydrophobicContact CG1-CB 4.5Å; V262-E264 VanDerWaalsContact CG1-OE2 3.29Å; V262-E264 WeakPolarHBondContact CG1-OE2 2.99Å; V262-E264 PolarHBondContact O-N 3.48Å; V262-E264 VanDerWaalsContact O-N 3.07Å; E264-N266 VanDerWaalsContact C-N 3.34Å; E264-S267 WeakPolarHBondContact O-CB 3.35Å; E264-S267 PolarHBondContact O-OG 3.1Å; E264-V397 HydrophobicContact CB-CG1 3.61Å; E264-V397 HydrophobicContact CG-CG1 4.5Å; E264-R400 IonicContact OE1-NH1 3.07Å; E264-R400 PolarHBondContact OE1-NH1 2.72Å
265V96.3Very high95.2Very high0 Ų043.7 Ų43.70%024%0.241CC..THydrogen-bonded Turntrans-73.9-29.1174.5173.50000111.9V262 P263 S267 F334 A357 I393 V397 W401V262-V265 HydrophobicContact CG1-CG2 4.06Å; V262-V265 PolarHBondContact O-N 3.29Å; V262-V265 VanDerWaalsContact O-N 3.08Å; P263-V265 PolarHBondContact O-N 3.23Å; V265-S267 PolarHBondContact O-N 2.95Å; V265-F334 HydrophobicContact CG1-CD2 4.15Å; V265-F334 HydrophobicContact CG1-CE2 3.83Å; V265-A357 HydrophobicContact CG1-CB 3.89Å; V265-I393 HydrophobicContact CB-CD1 4.12Å; V265-I393 HydrophobicContact CG1-CD1 3.9Å; V265-I393 HydrophobicContact CG2-CD1 4.07Å; V265-I393 HydrophobicContact CG2-CG1 4.28Å; V265-I393 HydrophobicContact CG2-CG2 4.21Å; V265-V397 HydrophobicContact CG2-CG1 3.8Å; V265-W401 HydrophobicContact CB-CB 4.43Å; V265-W401 HydrophobicContact CB-CG 4.13Å; V265-W401 HydrophobicContact CG1-CD2 4.48Å; V265-W401 HydrophobicContact CG1-CG 4.02Å; V265-W401 HydrophobicContact CG2-CB 3.67Å; V265-W401 HydrophobicContact CG2-CG 3.89Å
266N96.8Very high95.2Very high2 Ų250.8 Ų50.81%0.01127%0.268CS..SBendtrans-83.455.4176.7-160.944.3000111.2C259 P263 E264 Y277 Y279 T333C259-N266 HydrophobicContact CB-CB 4.02Å; P263-N266 CarbonylContact O-C 3.6Å; P263-N266 WeakPolarHBondContact O-CA 3.34Å; P263-N266 PolarHBondContact O-N 3.21Å; E264-N266 VanDerWaalsContact C-N 3.34Å; N266-Y277 PolarHBondContact ND2-O 3.28Å; N266-Y277 WeakPolarHBondContact O-CD2 3.16Å; N266-Y277 PolarHBondContact O-N 3.26Å; N266-Y279 PolarHBondContact ND2-O 3.32Å; N266-T333 WeakPolarHBondContact OD1-CB 3.37Å; N266-T333 PolarHBondContact OD1-OG1 2.74Å
267S96.3Very high95.1Very high4 Ų452 Ų523%0.02827%0.272CS..EExtended strand (participates in β ladder)trans-136.6162.9-174.8-63.10000112P263 E264 V265 R275 R276 A356P263-S267 PolarHBondContact O-OG 3.38Å; E264-S267 WeakPolarHBondContact O-CB 3.35Å; E264-S267 PolarHBondContact O-OG 3.1Å; V265-S267 PolarHBondContact O-N 2.95Å; S267-R275 CarbonylContact C-O 3.51Å; S267-R275 WeakPolarHBondContact CA-O 3.29Å; S267-R275 WeakPolarHBondContact CB-O 3.42Å; S267-R276 WeakPolarHBondContact OG-CA 3.22Å; S267-R276 WeakPolarHBondContact OG-CB 3.43Å; S267-R276 WeakPolarHBondContact OG-CG 3.24Å; S267-A356 WeakPolarHBondContact O-CB 3.44Å; S267-A356 PolarHBondContact O-N 3.32Å; S267-A356 VanDerWaalsContact O-N 3.11Å
268S95.4Very high94.9Very high0 Ų056 Ų560%029%0.294CS..EExtended strand (participates in β ladder)trans-130.6140.4178.5-73.40000110.6I274 R275 Y277 P354S268-I274 WeakPolarHBondContact O-CA 3.41Å; S268-R275 PolarHBondContact N-O 2.92Å; S268-R275 PolarHBondContact O-N 2.96Å; S268-Y277 WeakPolarHBondContact CB-OH 3.38Å; S268-Y277 WeakPolarHBondContact OG-CE2 3.19Å; S268-Y277 PolarHBondContact OG-OH 3.47Å; S268-P354 WeakPolarHBondContact CA-O 3.41Å; S268-P354 WeakPolarHBondContact CB-O 3.41Å; S268-P354 PolarHBondContact OG-O 3.43Å
269W94.2Very high94.9Very high90 Ų9060.8 Ų60.834%0.34131%0.313SS..EExtended strand (participates in β ladder)trans-83.9114.2171.3-178.9-92.7000110.3I274 R391 V392W269-I274 HydrophobicContact CE3-CD1 4.17Å; W269-I274 HydrophobicContact CE3-CG1 3.8Å; W269-I274 HydrophobicContact CZ3-CD1 4.11Å; W269-I274 HydrophobicContact CZ3-CG1 4.01Å; W269-R391 HydrophobicContact CD2-CB 4.11Å; W269-R391 HydrophobicContact CE3-CB 3.71Å; W269-R391 HydrophobicContact CZ3-CB 3.94Å; W269-V392 HydrophobicContact CB-CG2 3.74Å; W269-V392 HydrophobicContact CE3-CG2 4.04Å
270L92.4Very high94.9Very high66 Ų6660.8 Ų60.835%0.34631%0.313SS..  trans-107.120.4179.6-56-178.2000113S272 V273 R275 P354L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 2.78Å; L270-V273 HydrophobicContact CB-CG2 4.05Å; L270-V273 WeakPolarHBondContact CB-O 3.26Å; L270-V273 HydrophobicContact CD1-CG2 4.18Å; L270-V273 PolarHBondContact N-O 2.85Å; L270-R275 HydrophobicContact CD1-CB 3.7Å; L270-R275 HydrophobicContact CG-CB 4.25Å; L270-P354 HydrophobicContact CD2-CB 4.3Å
271G89.2Confident95Very high48 Ų4856.9 Ų56.950%0.49530%0.296SS..SBendtrans83.9-61.6179.700000113.5
272S91.3Very high95.1Very high113 Ų11354.6 Ų54.679%0.7928%0.277SS*.SBendtrans-94.3-24179.458.20000113.7L270L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 2.78Å
273V94.6Very high95.1Very high80 Ų8054.6 Ų54.649%0.48528%0.277SS..  trans-139.4149.7-176.9-61.60000110.7L270L270-V273 HydrophobicContact CB-CG2 4.05Å; L270-V273 WeakPolarHBondContact CB-O 3.26Å; L270-V273 HydrophobicContact CD1-CG2 4.18Å; L270-V273 PolarHBondContact N-O 2.85Å
274I95.4Very high95.1Very high87 Ų8752.8 Ų52.845%0.44627%0.265SS..EExtended strand (participates in β ladder)trans-92.6118164.6-62.2176.1000106.9S268 W269 V392S268-I274 WeakPolarHBondContact O-CA 3.41Å; W269-I274 HydrophobicContact CE3-CD1 4.17Å; W269-I274 HydrophobicContact CE3-CG1 3.8Å; W269-I274 HydrophobicContact CZ3-CD1 4.11Å; W269-I274 HydrophobicContact CZ3-CG1 4.01Å; I274-V392 HydrophobicContact CD1-CG2 4.37Å; I274-V392 HydrophobicContact CG1-CG2 4.38Å; I274-V392 HydrophobicContact CG2-CG1 3.88Å; I274-V392 HydrophobicContact CG2-CG2 4.44Å
275R95.9Very high95Very high137 Ų13750.4 Ų50.452%0.51726%0.258SS..EExtended strand (participates in β ladder)trans-91.7115.7174.4175.6172.3-66.4175.32108.9S267 S268 L270 Y277S267-R275 CarbonylContact C-O 3.51Å; S267-R275 WeakPolarHBondContact CA-O 3.29Å; S267-R275 WeakPolarHBondContact CB-O 3.42Å; S268-R275 PolarHBondContact N-O 2.92Å; S268-R275 PolarHBondContact O-N 2.96Å; L270-R275 HydrophobicContact CD1-CB 3.7Å; L270-R275 HydrophobicContact CG-CB 4.25Å; R275-Y277 HydrophobicContact CG-CD1 4.37Å; R275-Y277 HydrophobicContact CG-CE1 4Å; R275-Y277 HydrophobicContact CG-CE2 4.34Å
276R96.1Very high94.8Very high148 Ų14851.3 Ų51.356%0.55826%0.263SS*.EExtended strand (participates in β ladder)trans-90.6136.4167.9-171.1179.876.4-172.1-0.4109.7P263 S267P263-R276 HydrophobicContact CB-CG 4.26Å; P263-R276 WeakPolarHBondContact O-CG 3.44Å; S267-R276 WeakPolarHBondContact OG-CA 3.22Å; S267-R276 WeakPolarHBondContact OG-CB 3.43Å; S267-R276 WeakPolarHBondContact OG-CG 3.24Å
277Y95.2Very high94.3Very high26 Ų2655.1 Ų55.110%0.10229%0.29CS..  trans-101.7136.1178.4-54.9-90.8000110.7N266 S268 R275 Y279 T333N266-Y277 PolarHBondContact ND2-O 3.28Å; N266-Y277 WeakPolarHBondContact O-CD2 3.16Å; N266-Y277 PolarHBondContact O-N 3.26Å; S268-Y277 WeakPolarHBondContact CB-OH 3.38Å; S268-Y277 WeakPolarHBondContact OG-CE2 3.19Å; S268-Y277 PolarHBondContact OG-OH 3.47Å; R275-Y277 HydrophobicContact CG-CD1 4.37Å; R275-Y277 HydrophobicContact CG-CE1 4Å; R275-Y277 HydrophobicContact CG-CE2 4.34Å; Y277-Y279 HydrophobicContact CD1-CE1 4.05Å; Y277-Y279 HydrophobicContact CD1-CE2 4.24Å; Y277-Y279 AromaticContact CD1-CZ 3.66Å; Y277-Y279 WeakPolarHBondContact CD1-OH 3.39Å; Y277-T333 HydrophobicContact CD1-CG2 3.83Å; Y277-T333 HydrophobicContact CD2-CG2 3.66Å; Y277-T333 HydrophobicContact CE1-CG2 4.25Å; Y277-T333 HydrophobicContact CE2-CG2 4.14Å; Y277-T333 HydrophobicContact CG-CG2 3.5Å; Y277-T333 VanDerWaalsContact CG-CG2 3.5Å
278D93.4Very high93.8Very high119 Ų11955.9 Ų55.964%0.63630%0.295SS*.SBendtrans-84.2-21.5176-62-39.5000112.1K260K260-D278 PolarHBondContact NZ-O 2.9Å
279Y95Very high93Very high101 Ų10165.7 Ų65.740%0.39634%0.34SS..SBendtrans-99.3155.7172.558.6-90.4000110.9N266 Y277 D281 N299 T333N266-Y279 PolarHBondContact ND2-O 3.32Å; Y277-Y279 HydrophobicContact CD1-CE1 4.05Å; Y277-Y279 HydrophobicContact CD1-CE2 4.24Å; Y277-Y279 AromaticContact CD1-CZ 3.66Å; Y277-Y279 WeakPolarHBondContact CD1-OH 3.39Å; Y279-D281 WeakPolarHBondContact CE2-OD2 3.39Å; Y279-N299 WeakPolarHBondContact CB-OD1 3.39Å; Y279-T333 HydrophobicContact CD2-CG2 4.16Å; Y279-T333 HydrophobicContact CE2-CG2 3.72Å
280V96.9Very high92.1Very high0 Ų065.2 Ų65.20%035%0.351CS..  trans-120.2104.9178.2-166.90000111.4A256 C259 K260 V282 N299 A300 D301A256-V280 HydrophobicContact CB-CB 4.35Å; A256-V280 HydrophobicContact CB-CG1 4.08Å; C259-V280 HydrophobicContact CB-CB 4.46Å; C259-V280 HydrophobicContact CB-CG1 3.73Å; C259-V280 HydrophobicContact CB-CG2 3.82Å; K260-V280 HydrophobicContact CD-CG2 4.38Å; K260-V280 HydrophobicContact CG-CG2 4.08Å; V280-V282 HydrophobicContact CG1-CG2 4.17Å; V280-N299 CarbonylContact O-C 3.53Å; V280-N299 WeakPolarHBondContact O-CA 3.41Å; V280-N299 PolarHBondContact O-N 2.83Å; V280-A300 PolarHBondContact O-N 3.06Å; V280-D301 HydrophobicContact CB-CB 4.1Å; V280-D301 HydrophobicContact CG2-CB 4.09Å; V280-D301 PolarHBondContact N-OD1 2.88Å; V280-D301 VanDerWaalsContact N-OD1 3.1Å
281D97.2Very high91.7Very high12 Ų1262.9 Ų62.96%0.06434%0.343CS..  trans-97.7121.6171.5-64.5-19.5000109.7Y279 I296 I297 F298 N299 T333 F334Y279-D281 WeakPolarHBondContact CE2-OD2 3.39Å; D281-I296 HydrophobicContact CB-CG2 3.82Å; D281-I297 WeakPolarHBondContact CA-O 3.43Å; D281-F298 HydrophobicContact CB-CD1 4.4Å; D281-F298 WeakPolarHBondContact OD1-CA 3.41Å; D281-F298 WeakPolarHBondContact OD2-CD1 3.45Å; D281-N299 PolarHBondContact OD1-N 2.96Å; D281-T333 HydrophobicContact CB-CG2 4.31Å; D281-T333 PolarHBondContact N-OG1 3.06Å; D281-T333 PolarHBondContact O-N 2.72Å; D281-T333 PolarHBondContact O-OG1 3.21Å; D281-F334 PolarHBondContact O-N 3.28Å; D281-F334 VanDerWaalsContact O-N 3.08Å
282V97.8Very high91.5Very high0 Ų065.8 Ų65.80%035%0.346CS..EExtended strand (participates in β ladder)trans-104.1112.9-177.8-178.40000110I252 A256 V280 V284 I297 A300 F334 V336I252-V282 HydrophobicContact CG1-CG1 4.34Å; I252-V282 HydrophobicContact CG2-CB 4.05Å; I252-V282 HydrophobicContact CG2-CG1 4.06Å; I252-V282 HydrophobicContact CG2-CG2 4.32Å; A256-V282 HydrophobicContact CB-CG2 4.09Å; V280-V282 HydrophobicContact CG1-CG2 4.17Å; V282-V284 HydrophobicContact CG1-CG2 4.28Å; V282-I297 PolarHBondContact N-O 2.82Å; V282-I297 PolarHBondContact O-N 3.26Å; V282-A300 HydrophobicContact CB-CB 4.26Å; V282-A300 HydrophobicContact CG2-CB 3.82Å; V282-F334 CarbonylContact C-O 3.54Å; V282-F334 WeakPolarHBondContact CA-O 3.26Å; V282-V336 HydrophobicContact CG1-CB 4.45Å; V282-V336 HydrophobicContact CG1-CG2 3.78Å
283S96.7Very high91.5Very high0 Ų062.1 Ų62.10%032%0.318CS..EExtended strand (participates in β ladder)trans-80.6127.7171.1-56.30000110.1P295 F334 S335 V336 Q355S283-P295 CarbonylContact C-O 3.4Å; S283-P295 WeakPolarHBondContact CA-O 3.29Å; S283-F334 PolarHBondContact N-O 2.86Å; S283-S335 WeakPolarHBondContact CB-OG 3.46Å; S283-S335 CarbonylContact O-C 3.6Å; S283-S335 VanDerWaalsContact O-CA 3.28Å; S283-S335 WeakPolarHBondContact O-CA 3.47Å; S283-V336 PolarHBondContact O-N 2.96Å; S283-Q355 PolarHBondContact OG-NE2 3.45Å
284V96.1Very high91.4Very high5 Ų559.6 Ų59.63%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-114.5123-177.8-1760000109.6I252 V282 V286 T294 P295 I297 M312 V336I252-V284 HydrophobicContact CD1-CG2 3.68Å; I252-V284 HydrophobicContact CG1-CG2 3.87Å; V282-V284 HydrophobicContact CG1-CG2 4.28Å; V284-V286 PolarHBondContact O-N 3.41Å; V284-T294 WeakPolarHBondContact O-CA 3.26Å; V284-P295 PolarHBondContact N-O 3.11Å; V284-P295 WeakPolarHBondContact O-CD 3.29Å; V284-P295 WeakPolarHBondContact O-CG 3.42Å; V284-I297 HydrophobicContact CG2-CD1 4.16Å; V284-M312 HydrophobicContact CB-CE 4.38Å; V284-M312 HydrophobicContact CB-SD 3.91Å; V284-M312 HydrophobicContact CG1-CE 4.18Å; V284-M312 HydrophobicContact CG1-SD 3.77Å; V284-M312 HydrophobicContact CG2-SD 3.95Å; V284-V336 WeakPolarHBondContact CA-O 3.49Å
285A93.5Very high91.4Very high21 Ų2155.5 Ų55.517%0.17428%0.281CS..  trans-72.9117.9-178.700000111.6L292 T294 V336A285-L292 HydrophobicContact CB-CD1 4Å; A285-L292 HydrophobicContact CB-CD2 4.24Å; A285-L292 HydrophobicContact CB-CG 4.3Å; A285-T294 HydrophobicContact CB-CG2 4.29Å; A285-V336 PolarHBondContact N-O 2.8Å
286V90.9Very high91.4Very high18 Ų1849 Ų4911%0.10926%0.257CS..EExtended strand (participates in β ladder)trans-118.5126.6178.5-1800000109.5V284 I293 P295 M312 A319V284-V286 PolarHBondContact O-N 3.41Å; V286-I293 HydrophobicContact CB-CG2 4.47Å; V286-I293 PolarHBondContact N-O 3.02Å; V286-I293 PolarHBondContact O-N 3.48Å; V286-P295 HydrophobicContact CB-CG 4.42Å; V286-P295 HydrophobicContact CG2-CG 3.67Å; V286-M312 HydrophobicContact CG2-CE 3.72Å; V286-A319 HydrophobicContact CB-CB 4.39Å; V286-A319 HydrophobicContact CG1-CB 4.06Å
287S86.8Confident91.5Very high82 Ų8242 Ų4257%0.57323%0.231SC*.EExtended strand (participates in β ladder)trans-78.6125.7175-167.40000110.4
288T85.4Confident91.5Very high21 Ų2144.2 Ų44.213%0.12924%0.241CC..  trans-120.9173.7174.172.90000109.4S290 G291 I293 A319T288-S290 VanDerWaalsContact C-N 3.3Å; T288-S290 PolarHBondContact O-N 2.73Å; T288-S290 PolarHBondContact OG1-N 2.72Å; T288-S290 PolarHBondContact OG1-OG 3.44Å; T288-G291 PolarHBondContact N-O 3.05Å; T288-G291 PolarHBondContact O-N 3.5Å; T288-G291 PolarHBondContact OG1-N 3.34Å; T288-G291 PolarHBondContact OG1-O 3.37Å; T288-I293 HydrophobicContact CG2-CG2 3.57Å; T288-A319 HydrophobicContact CG2-CB 4.22Å; T288-A319 WeakPolarHBondContact CG2-O 3.44Å
289Q79.2Confident91.6Very high205 Ų20541.8 Ų41.896%0.95823%0.228SC*.SBendtrans-67-32.4176.2-66.8-178.7-0.400112.4
290S76.1Confident91.6Very high81 Ų8137 Ų3757%0.56621%0.209SC*.SBendtrans-77.1-22.1178.352.50000113T288T288-S290 VanDerWaalsContact C-N 3.3Å; T288-S290 PolarHBondContact O-N 2.73Å; T288-S290 PolarHBondContact OG1-N 2.72Å; T288-S290 PolarHBondContact OG1-OG 3.44Å
291G83.5Confident91.5Very high17 Ų1738.2 Ų38.218%0.17522%0.216CC..  trans150.7-147.617600000112.7T288T288-G291 PolarHBondContact N-O 3.05Å; T288-G291 PolarHBondContact O-N 3.5Å; T288-G291 PolarHBondContact OG1-N 3.34Å; T288-G291 PolarHBondContact OG1-O 3.37Å
292L85.6Confident91.3Very high108 Ų10841.9 Ų41.957%0.56524%0.242SC*.EExtended strand (participates in β ladder)trans-95.5123.3175.4-167.371.4000109.1A285A285-L292 HydrophobicContact CB-CD1 4Å; A285-L292 HydrophobicContact CB-CD2 4.24Å; A285-L292 HydrophobicContact CB-CG 4.3Å
293I89.8Confident91.1Very high36 Ų3643.3 Ų43.319%0.18525%0.249CC..EExtended strand (participates in β ladder)trans-119148.9171.2-165.1168.9000109.3V286 T288 P295 A319 L324 F329V286-I293 HydrophobicContact CB-CG2 4.47Å; V286-I293 PolarHBondContact N-O 3.02Å; V286-I293 PolarHBondContact O-N 3.48Å; T288-I293 HydrophobicContact CG2-CG2 3.57Å; I293-P295 WeakPolarHBondContact O-CD 3.33Å; I293-A319 HydrophobicContact CG2-CB 3.72Å; I293-L324 HydrophobicContact CD1-CB 4.13Å; I293-L324 HydrophobicContact CD1-CD2 4.35Å; I293-F329 HydrophobicContact CD1-CB 4.26Å; I293-F329 HydrophobicContact CD1-CD1 3.97Å; I293-F329 HydrophobicContact CD1-CE1 4.4Å; I293-F329 HydrophobicContact CD1-CG 4.01Å; I293-F329 HydrophobicContact CG1-CB 3.98Å; I293-F329 HydrophobicContact CG1-CD2 4.46Å; I293-F329 HydrophobicContact CG1-CG 4.12Å
294T93Very high90.9Very high27 Ų2745 Ų4517%0.16627%0.265CS..  trans-119.678.9-174.852.90000110.9V284 A285 F329V284-T294 WeakPolarHBondContact O-CA 3.26Å; A285-T294 HydrophobicContact CB-CG2 4.29Å; T294-F329 WeakPolarHBondContact O-CA 3.38Å
295P95.2Very high90.8Very high1 Ų146.8 Ų46.81%0.00628%0.275CS..  trans-53.1145.8169.621.9-35.5000111.9S283 V284 V286 I293 M312 L315 L324 E328S283-P295 CarbonylContact C-O 3.4Å; S283-P295 WeakPolarHBondContact CA-O 3.29Å; V284-P295 PolarHBondContact N-O 3.11Å; V284-P295 WeakPolarHBondContact O-CD 3.29Å; V284-P295 WeakPolarHBondContact O-CG 3.42Å; V286-P295 HydrophobicContact CB-CG 4.42Å; V286-P295 HydrophobicContact CG2-CG 3.67Å; I293-P295 WeakPolarHBondContact O-CD 3.33Å; P295-M312 HydrophobicContact CG-CE 4.31Å; P295-L315 HydrophobicContact CB-CB 3.77Å; P295-L315 HydrophobicContact CB-CD1 4.26Å; P295-L315 HydrophobicContact CB-CD2 4.26Å; P295-L315 HydrophobicContact CB-CG 4.33Å; P295-L315 HydrophobicContact CG-CB 4.46Å; P295-L324 HydrophobicContact CB-CD1 4.39Å; P295-L324 HydrophobicContact CB-CD2 3.92Å; P295-E328 CarbonylContact C-O 3.52Å; P295-E328 WeakPolarHBondContact CA-O 3.48Å
296I96.4Very high90.7Very high1 Ų148.5 Ų48.51%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-109.4126.1-175.4-58.4163.5000109.2D281 F298 L315 E328 Q330D281-I296 HydrophobicContact CB-CG2 3.82Å; I296-F298 HydrophobicContact CB-CE1 4.46Å; I296-F298 HydrophobicContact CB-CE2 4.17Å; I296-F298 HydrophobicContact CB-CZ 4.05Å; I296-F298 HydrophobicContact CD1-CZ 4.31Å; I296-F298 HydrophobicContact CG2-CD1 3.97Å; I296-F298 HydrophobicContact CG2-CD2 4.31Å; I296-F298 HydrophobicContact CG2-CE1 3.76Å; I296-F298 HydrophobicContact CG2-CE2 4.13Å; I296-F298 HydrophobicContact CG2-CG 4.23Å; I296-F298 HydrophobicContact CG2-CZ 3.84Å; I296-L315 WeakPolarHBondContact O-CD1 3.47Å; I296-E328 WeakPolarHBondContact CB-O 3.31Å; I296-E328 WeakPolarHBondContact CG1-O 3.42Å; I296-E328 PolarHBondContact N-O 3.06Å; I296-Q330 VanDerWaalsContact CD1-C 3.5Å; I296-Q330 WeakPolarHBondContact CD1-O 3.33Å
297I97Very high90.9Very high1 Ų152.5 Ų52.51%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-94.6103.9166.6-60.6170.6000106.8I252 D281 V282 V284 A300 K303 I308 M312 L315I252-I297 HydrophobicContact CD1-CD1 3.75Å; I252-I297 HydrophobicContact CG2-CD1 4.08Å; D281-I297 WeakPolarHBondContact CA-O 3.43Å; V282-I297 PolarHBondContact N-O 2.82Å; V282-I297 PolarHBondContact O-N 3.26Å; V284-I297 HydrophobicContact CG2-CD1 4.16Å; I297-A300 HydrophobicContact CG2-CB 4.01Å; I297-K303 HydrophobicContact CG2-CD 4.35Å; I297-I308 HydrophobicContact CD1-CG2 4.15Å; I297-I308 HydrophobicContact CG2-CG1 4.43Å; I297-M312 HydrophobicContact CD1-CB 4.17Å; I297-M312 HydrophobicContact CD1-SD 4.08Å; I297-L315 HydrophobicContact CG1-CD1 4.12Å
298F96.1Very high91.4Very high73 Ų7348.6 Ų48.632%0.3227%0.271SS..THydrogen-bonded Turntrans-69.9142.5-177.8-68.5-77.9000111.8D281 I296 A300 K303 H327D281-F298 HydrophobicContact CB-CD1 4.4Å; D281-F298 WeakPolarHBondContact OD1-CA 3.41Å; D281-F298 WeakPolarHBondContact OD2-CD1 3.45Å; I296-F298 HydrophobicContact CB-CE1 4.46Å; I296-F298 HydrophobicContact CB-CE2 4.17Å; I296-F298 HydrophobicContact CB-CZ 4.05Å; I296-F298 HydrophobicContact CD1-CZ 4.31Å; I296-F298 HydrophobicContact CG2-CD1 3.97Å; I296-F298 HydrophobicContact CG2-CD2 4.31Å; I296-F298 HydrophobicContact CG2-CE1 3.76Å; I296-F298 HydrophobicContact CG2-CE2 4.13Å; I296-F298 HydrophobicContact CG2-CG 4.23Å; I296-F298 HydrophobicContact CG2-CZ 3.84Å; F298-A300 PolarHBondContact O-N 3.41Å; F298-K303 WeakPolarHBondContact O-CE 3.28Å; F298-K303 PolarHBondContact O-NZ 3.38Å; F298-H327 VanDerWaalsContact CZ-O 3.29Å; F298-H327 WeakPolarHBondContact CZ-O 3.49Å
299N95.7Very high91.8Very high68 Ų6847.9 Ų47.936%0.36427%0.267SS..THydrogen-bonded Turntrans46.845.4178-55.6-67.6000112.8Y279 V280 D281 D301 S302 K303Y279-N299 WeakPolarHBondContact CB-OD1 3.39Å; V280-N299 CarbonylContact O-C 3.53Å; V280-N299 WeakPolarHBondContact O-CA 3.41Å; V280-N299 PolarHBondContact O-N 2.83Å; D281-N299 PolarHBondContact OD1-N 2.96Å; N299-D301 WeakPolarHBondContact CA-OD1 3.46Å; N299-D301 PolarHBondContact O-N 2.98Å; N299-D301 VanDerWaalsContact O-N 3.11Å; N299-S302 PolarHBondContact O-N 3.33Å; N299-S302 VanDerWaalsContact O-N 3.09Å; N299-S302 PolarHBondContact O-OG 3.46Å; N299-K303 PolarHBondContact O-N 3.5Å
300A95.7Very high92.5Very high0 Ų041.7 Ų41.70%024%0.238CC..THydrogen-bonded Turntrans-61.7-20.1-178.500000112.2I252 A256 V280 V282 I297 F298I252-A300 HydrophobicContact CG2-CB 4.12Å; A256-A300 HydrophobicContact CB-CB 3.78Å; V280-A300 PolarHBondContact O-N 3.06Å; V282-A300 HydrophobicContact CB-CB 4.26Å; V282-A300 HydrophobicContact CG2-CB 3.82Å; I297-A300 HydrophobicContact CG2-CB 4.01Å; F298-A300 PolarHBondContact O-N 3.41Å
301D93.3Very high93.4Very high25 Ų2540.6 Ų40.613%0.13422%0.224CC..THydrogen-bonded Turntrans-66.6-36.7174.558.7-68.5000112.7K253 A256 K260 V280 N299K253-D301 PolarHBondContact NZ-O 3.27Å; A256-D301 HydrophobicContact CB-CB 4.24Å; K260-D301 WeakPolarHBondContact CE-OD2 3.41Å; K260-D301 HydrophobicContact CG-CB 3.88Å; K260-D301 IonicContact NZ-OD2 3.66Å; K260-D301 PolarHBondContact NZ-OD2 3.25Å; K260-D301 VanDerWaalsContact NZ-OD2 3.1Å; V280-D301 HydrophobicContact CB-CB 4.1Å; V280-D301 HydrophobicContact CG2-CB 4.09Å; V280-D301 PolarHBondContact N-OD1 2.88Å; V280-D301 VanDerWaalsContact N-OD1 3.1Å; N299-D301 WeakPolarHBondContact CA-OD1 3.46Å; N299-D301 PolarHBondContact O-N 2.98Å; N299-D301 VanDerWaalsContact O-N 3.11Å
302S93.4Very high94Very high89 Ų8940.9 Ų40.962%0.62222%0.221SC*.THydrogen-bonded Turntrans-88.5-19.3-178.660.60000113.9N299N299-S302 PolarHBondContact O-N 3.33Å; N299-S302 VanDerWaalsContact O-N 3.09Å; N299-S302 PolarHBondContact O-OG 3.46Å
303K94.3Very high94.4Very high31 Ų3141 Ų4114%0.13522%0.221CC..SBendtrans-79.4150.8-173.6-70178.8179.91720114.2K253 I297 F298 N299 E307 I308 E311K253-K303 WeakPolarHBondContact CE-O 3.48Å; K253-K303 PolarHBondContact NZ-O 2.89Å; I297-K303 HydrophobicContact CG2-CD 4.35Å; F298-K303 WeakPolarHBondContact O-CE 3.28Å; F298-K303 PolarHBondContact O-NZ 3.38Å; N299-K303 PolarHBondContact O-N 3.5Å; K303-E307 VanDerWaalsContact CA-OE2 3.29Å; K303-E307 WeakPolarHBondContact CA-OE2 3.11Å; K303-E307 HydrophobicContact CB-CB 4.26Å; K303-E307 WeakPolarHBondContact CB-OE2 3.34Å; K303-I308 HydrophobicContact CB-CD1 4.26Å; K303-I308 HydrophobicContact CB-CG1 3.85Å; K303-E311 WeakPolarHBondContact CE-OE1 3.43Å; K303-E311 IonicContact NZ-OE1 2.64Å; K303-E311 PolarHBondContact NZ-OE1 2.88Å; K303-E311 IonicContact NZ-OE2 2.86Å; K303-E311 PolarHBondContact NZ-OE2 3.43Å
304G92.9Very high94.6Very high34 Ų3441.5 Ų41.535%0.35123%0.231SC..  trans-72.9162.8170.100000112.8L306 E307 I308G304-L306 VanDerWaalsContact C-N 3.26Å; G304-L306 PolarHBondContact O-N 2.81Å; G304-E307 PolarHBondContact N-OE2 2.79Å; G304-E307 PolarHBondContact O-N 3.39Å; G304-I308 VanDerWaalsContact O-CG1 3.31Å; G304-I308 WeakPolarHBondContact O-CG1 3.44Å; G304-I308 PolarHBondContact O-N 3.37Å
305L92.9Very high94.6Very high43 Ų4340.6 Ų40.623%0.22522%0.224CC..Hα-helixtrans-61.1-34.9176.4-73.3174.6000112.9L245 I250 K253 S309L245-L305 HydrophobicContact CD1-CB 4.41Å; L245-L305 HydrophobicContact CD2-CB 4.15Å; L245-L305 WeakPolarHBondContact CD2-O 3.45Å; I250-L305 HydrophobicContact CG1-CD2 4.19Å; K253-L305 HydrophobicContact CB-CD2 3.65Å; K253-L305 HydrophobicContact CG-CD2 3.99Å; L305-S309 WeakPolarHBondContact O-CB 3.21Å; L305-S309 PolarHBondContact O-N 2.64Å
306L92.4Very high94.4Very high57 Ų5741 Ų4130%0.29823%0.229SC..Hα-helixtrans-67-49177.4-75.7170.5000111.6L238 L245 G304 I308 S309 E310L238-L306 HydrophobicContact CD1-CD2 3.64Å; L238-L306 HydrophobicContact CD2-CD1 4.15Å; L238-L306 HydrophobicContact CD2-CD2 3.79Å; L238-L306 HydrophobicContact CG-CD2 4.37Å; L245-L306 HydrophobicContact CD2-CD2 4.08Å; G304-L306 VanDerWaalsContact C-N 3.26Å; G304-L306 PolarHBondContact O-N 2.81Å; L306-I308 VanDerWaalsContact C-N 3.31Å; L306-I308 PolarHBondContact O-N 2.86Å; L306-S309 WeakPolarHBondContact O-CB 3.21Å; L306-S309 PolarHBondContact O-N 2.91Å; L306-S309 VanDerWaalsContact O-N 3.11Å; L306-E310 WeakPolarHBondContact O-CG 3.4Å; L306-E310 PolarHBondContact O-N 3.18Å
307E94.8Very high94.2Very high102 Ų10243.3 Ų43.348%0.47725%0.248SC..Hα-helixtrans-57.8-44.3176.6-64.7171.8175.500111.3K303 G304 S309 E310 E311K303-E307 VanDerWaalsContact CA-OE2 3.29Å; K303-E307 WeakPolarHBondContact CA-OE2 3.11Å; K303-E307 HydrophobicContact CB-CB 4.26Å; K303-E307 WeakPolarHBondContact CB-OE2 3.34Å; G304-E307 PolarHBondContact N-OE2 2.79Å; G304-E307 PolarHBondContact O-N 3.39Å; E307-S309 PolarHBondContact O-N 2.95Å; E307-E310 PolarHBondContact O-N 3.2Å; E307-E311 WeakPolarHBondContact O-CB 3.38Å; E307-E311 WeakPolarHBondContact O-CG 3.38Å; E307-E311 PolarHBondContact O-N 2.92Å
308I96Very high94Very high0 Ų047.3 Ų47.30%026%0.263CS..Hα-helixtrans-60.2-45.4175.6-69.7170.1000111D249 I252 K253 I297 K303 G304 L306 M312D249-I308 HydrophobicContact CB-CG2 4.08Å; I252-I308 HydrophobicContact CB-CG2 4.11Å; I252-I308 HydrophobicContact CD1-CG2 4.24Å; I252-I308 HydrophobicContact CG2-CD1 4.5Å; I252-I308 HydrophobicContact CG2-CG2 3.86Å; K253-I308 HydrophobicContact CB-CD1 3.85Å; K253-I308 HydrophobicContact CD-CD1 3.83Å; K253-I308 HydrophobicContact CG-CD1 4.34Å; I297-I308 HydrophobicContact CD1-CG2 4.15Å; I297-I308 HydrophobicContact CG2-CG1 4.43Å; K303-I308 HydrophobicContact CB-CD1 4.26Å; K303-I308 HydrophobicContact CB-CG1 3.85Å; G304-I308 VanDerWaalsContact O-CG1 3.31Å; G304-I308 WeakPolarHBondContact O-CG1 3.44Å; G304-I308 PolarHBondContact O-N 3.37Å; L306-I308 VanDerWaalsContact C-N 3.31Å; L306-I308 PolarHBondContact O-N 2.86Å; I308-M312 WeakPolarHBondContact O-CB 3.16Å; I308-M312 PolarHBondContact O-N 3.41Å
309S94.4Very high93.8Very high6 Ų643.9 Ų43.94%0.04225%0.249CC..Hα-helixtrans-63-46.2179.2177.30000111.8K244 D249 L305 L306 E307 E311 M312 I313K244-S309 PolarHBondContact O-OG 3.18Å; D249-S309 WeakPolarHBondContact OD2-CB 3.31Å; D249-S309 PolarHBondContact OD2-OG 3.44Å; L305-S309 WeakPolarHBondContact O-CB 3.21Å; L305-S309 PolarHBondContact O-N 2.64Å; L306-S309 WeakPolarHBondContact O-CB 3.21Å; L306-S309 PolarHBondContact O-N 2.91Å; L306-S309 VanDerWaalsContact O-N 3.11Å; E307-S309 PolarHBondContact O-N 2.95Å; S309-E311 PolarHBondContact O-N 3.17Å; S309-M312 PolarHBondContact O-N 2.99Å; S309-I313 VanDerWaalsContact O-CG1 3.26Å; S309-I313 WeakPolarHBondContact O-CG1 3.26Å; S309-I313 PolarHBondContact O-N 3.25Å
310E94.9Very high93.5Very high76 Ų7647.6 Ų47.636%0.35526%0.261SS..Hα-helixtrans-61.2-46.8178.8-71.7166.1-131.200112R243 L306 E307 I313 A314R243-E310 IonicContact CZ-OE1 3.76Å; R243-E310 IonicContact CZ-OE2 3.81Å; R243-E310 IonicContact NE-OE1 2.72Å; R243-E310 IonicContact NH1-OE1 2.82Å; R243-E310 PolarHBondContact NH1-OE1 3.02Å; R243-E310 IonicContact NH1-OE2 3.92Å; R243-E310 IonicContact NH2-OE1 2.93Å; R243-E310 PolarHBondContact NH2-OE1 3.01Å; R243-E310 IonicContact NH2-OE2 3.62Å; R243-E310 PolarHBondContact NH2-OE2 2.84Å; L306-E310 WeakPolarHBondContact O-CG 3.4Å; L306-E310 PolarHBondContact O-N 3.18Å; E307-E310 PolarHBondContact O-N 3.2Å; E310-I313 PolarHBondContact O-N 3.01Å; E310-A314 WeakPolarHBondContact O-CB 3.38Å; E310-A314 PolarHBondContact O-N 3.32Å
311E95Very high93.3Very high58 Ų5852.7 Ų52.727%0.27129%0.289SS..Hα-helixtrans-63.7-41.7175.9-75.3-174.8-157.300111.8K303 E307 S309 I313 A314 L315K303-E311 WeakPolarHBondContact CE-OE1 3.43Å; K303-E311 IonicContact NZ-OE1 2.64Å; K303-E311 PolarHBondContact NZ-OE1 2.88Å; K303-E311 IonicContact NZ-OE2 2.86Å; K303-E311 PolarHBondContact NZ-OE2 3.43Å; E307-E311 WeakPolarHBondContact O-CB 3.38Å; E307-E311 WeakPolarHBondContact O-CG 3.38Å; E307-E311 PolarHBondContact O-N 2.92Å; S309-E311 PolarHBondContact O-N 3.17Å; E311-I313 VanDerWaalsContact C-N 3.34Å; E311-I313 PolarHBondContact O-N 2.98Å; E311-A314 PolarHBondContact O-N 3.23Å; E311-L315 HydrophobicContact CB-CD1 4.47Å; E311-L315 WeakPolarHBondContact O-CB 3.5Å; E311-L315 VanDerWaalsContact O-CG 3.24Å; E311-L315 WeakPolarHBondContact O-CG 3.36Å; E311-L315 PolarHBondContact O-N 2.97Å
312M94.7Very high93Very high22 Ų2254.6 Ų54.611%0.10831%0.314CS..Hα-helixtrans-63.7-39.7178-17465.3-110.900111.7I252 V284 V286 P295 I297 I308 S309 G316I252-M312 HydrophobicContact CD1-SD 4.18Å; V284-M312 HydrophobicContact CB-CE 4.38Å; V284-M312 HydrophobicContact CB-SD 3.91Å; V284-M312 HydrophobicContact CG1-CE 4.18Å; V284-M312 HydrophobicContact CG1-SD 3.77Å; V284-M312 HydrophobicContact CG2-SD 3.95Å; V286-M312 HydrophobicContact CG2-CE 3.72Å; P295-M312 HydrophobicContact CG-CE 4.31Å; I297-M312 HydrophobicContact CD1-CB 4.17Å; I297-M312 HydrophobicContact CD1-SD 4.08Å; I308-M312 WeakPolarHBondContact O-CB 3.16Å; I308-M312 PolarHBondContact O-N 3.41Å; S309-M312 PolarHBondContact O-N 2.99Å; M312-G316 WeakPolarHBondContact O-CA 3.36Å; M312-G316 PolarHBondContact O-N 3.34Å
313I93.7Very high92.8Very high111 Ų11157 Ų5757%0.56931%0.313SS*.Hα-helixtrans-65.9-48175.6-68.5164.2000110.1S309 E310 E311 G316 A317S309-I313 VanDerWaalsContact O-CG1 3.26Å; S309-I313 WeakPolarHBondContact O-CG1 3.26Å; S309-I313 PolarHBondContact O-N 3.25Å; E310-I313 PolarHBondContact O-N 3.01Å; E311-I313 VanDerWaalsContact C-N 3.34Å; E311-I313 PolarHBondContact O-N 2.98Å; I313-G316 PolarHBondContact O-N 2.83Å; I313-A317 WeakPolarHBondContact O-CB 3.48Å; I313-A317 PolarHBondContact O-N 3Å
314A94.2Very high92.6Very high47 Ų4756.1 Ų56.139%0.38831%0.31SS..Hα-helixtrans-64.8-44-179.200000112.5E310 E311 R318E310-A314 WeakPolarHBondContact O-CB 3.38Å; E310-A314 PolarHBondContact O-N 3.32Å; E311-A314 PolarHBondContact O-N 3.23Å; A314-R318 WeakPolarHBondContact O-CG 3.49Å; A314-R318 PolarHBondContact O-N 3.36Å; A314-R318 VanDerWaalsContact O-N 3.13Å; A314-R318 PolarHBondContact O-NE 2.91Å
315L94.1Very high92.4Very high7 Ų759.4 Ų59.44%0.03732%0.316CS..Hα-helixtrans-68.4-41.2175.4-72.3166.4000111.1P295 I296 I297 E311 A317 R318 A319 L324 E328P295-L315 HydrophobicContact CB-CB 3.77Å; P295-L315 HydrophobicContact CB-CD1 4.26Å; P295-L315 HydrophobicContact CB-CD2 4.26Å; P295-L315 HydrophobicContact CB-CG 4.33Å; P295-L315 HydrophobicContact CG-CB 4.46Å; I296-L315 WeakPolarHBondContact O-CD1 3.47Å; I297-L315 HydrophobicContact CG1-CD1 4.12Å; E311-L315 HydrophobicContact CB-CD1 4.47Å; E311-L315 WeakPolarHBondContact O-CB 3.5Å; E311-L315 VanDerWaalsContact O-CG 3.24Å; E311-L315 WeakPolarHBondContact O-CG 3.36Å; E311-L315 PolarHBondContact O-N 2.97Å; L315-A317 PolarHBondContact O-N 2.82Å; L315-R318 VanDerWaalsContact CD2-NH2 3.25Å; L315-R318 PolarHBondContact O-N 3.27Å; L315-A319 VanDerWaalsContact O-CB 3.26Å; L315-A319 WeakPolarHBondContact O-CB 3.4Å; L315-A319 PolarHBondContact O-N 3.15Å; L315-L324 HydrophobicContact CD2-CD1 4.46Å; L315-L324 WeakPolarHBondContact O-CD1 3.47Å; L315-E328 HydrophobicContact CD2-CB 4.17Å; L315-E328 HydrophobicContact CD2-CG 4.5Å
316G91.3Very high92.2Very high10 Ų1060 Ų6010%0.10332%0.323CS..Hα-helixtrans-62.6-39.3177.300000113.1M312 I313 K320M312-G316 WeakPolarHBondContact O-CA 3.36Å; M312-G316 PolarHBondContact O-N 3.34Å; I313-G316 PolarHBondContact O-N 2.83Å; G316-K320 WeakPolarHBondContact O-CG 3.45Å; G316-K320 PolarHBondContact O-N 3.17Å
317A92.3Very high92Very high49 Ų4963 Ų6341%0.40534%0.335SS..Hα-helixtrans-64.9-51173.500000111.2I313 L315 A319 K320 D321I313-A317 WeakPolarHBondContact O-CB 3.48Å; I313-A317 PolarHBondContact O-N 3Å; L315-A317 PolarHBondContact O-N 2.82Å; A317-A319 PolarHBondContact O-N 2.8Å; A317-K320 PolarHBondContact O-N 2.9Å; A317-D321 PolarHBondContact O-N 2.7Å
318R92.9Very high91.8Very high85 Ų8559 Ų5932%0.32132%0.316SS..Hα-helixtrans-62.4-31.2178.3-71.2-175.1-68.9158.10.5113A314 L315 G322 K323 L324 E328A314-R318 WeakPolarHBondContact O-CG 3.49Å; A314-R318 PolarHBondContact O-N 3.36Å; A314-R318 VanDerWaalsContact O-N 3.13Å; A314-R318 PolarHBondContact O-NE 2.91Å; L315-R318 VanDerWaalsContact CD2-NH2 3.25Å; L315-R318 PolarHBondContact O-N 3.27Å; R318-G322 PolarHBondContact O-N 3.23Å; R318-G322 VanDerWaalsContact O-N 3.12Å; R318-K323 PolarHBondContact O-N 3.42Å; R318-L324 HydrophobicContact CB-CD1 3.87Å; R318-L324 PolarHBondContact O-N 3.45Å; R318-E328 IonicContact CZ-OE1 3.06Å; R318-E328 IonicContact CZ-OE2 3.1Å; R318-E328 IonicContact NH1-OE1 3.66Å; R318-E328 PolarHBondContact NH1-OE1 3.31Å; R318-E328 IonicContact NH1-OE2 2.69Å; R318-E328 PolarHBondContact NH1-OE2 3.46Å; R318-E328 VanDerWaalsContact NH1-OE2 3.07Å; R318-E328 IonicContact NH2-OE1 2.79Å; R318-E328 PolarHBondContact NH2-OE1 3.4Å; R318-E328 IonicContact NH2-OE2 2.69Å
319A90.9Very high91.5Very high2 Ų261.8 Ų61.82%0.01733%0.328CS..Hα-helixtrans-64.1-50.3175.500000110.5V286 T288 I293 L315 A317 D321 G322 L324V286-A319 HydrophobicContact CB-CB 4.39Å; V286-A319 HydrophobicContact CG1-CB 4.06Å; T288-A319 HydrophobicContact CG2-CB 4.22Å; T288-A319 WeakPolarHBondContact CG2-O 3.44Å; I293-A319 HydrophobicContact CG2-CB 3.72Å; L315-A319 VanDerWaalsContact O-CB 3.26Å; L315-A319 WeakPolarHBondContact O-CB 3.4Å; L315-A319 PolarHBondContact O-N 3.15Å; A317-A319 PolarHBondContact O-N 2.8Å; A319-D321 VanDerWaalsContact C-N 3.3Å; A319-D321 PolarHBondContact O-N 2.81Å; A319-G322 PolarHBondContact O-N 2.8Å; A319-G322 VanDerWaalsContact O-N 3.14Å; A319-L324 VanDerWaalsContact CA-CD1 3.41Å; A319-L324 HydrophobicContact CB-CD1 3.63Å
320K89.5Confident91.1Very high145 Ų14564.9 Ų64.963%0.6334%0.342SS*.Hα-helixtrans-64.2-36.4179.3-71.3176.2-179.3-178.50112.2G316 A317 G322G316-K320 WeakPolarHBondContact O-CG 3.45Å; G316-K320 PolarHBondContact O-N 3.17Å; A317-K320 PolarHBondContact O-N 2.9Å; K320-G322 PolarHBondContact O-N 3.45Å
321D91.1Very high90.8Very high108 Ų10863.3 Ų63.358%0.57835%0.347SS*.THydrogen-bonded Turntrans-78.6-4.6177.2-67.5-7.4000113.5A317 A319 K323A317-D321 PolarHBondContact O-N 2.7Å; A319-D321 VanDerWaalsContact C-N 3.3Å; A319-D321 PolarHBondContact O-N 2.81Å; D321-K323 HydrophobicContact CB-CD 4.26Å; D321-K323 HydrophobicContact CB-CG 4.22Å; D321-K323 PolarHBondContact O-N 2.85Å
322G87Confident90.7Very high64 Ų6461 Ų6166%0.6634%0.338SS*.THydrogen-bonded Turntrans67.919.6-177.500000114.5R318 A319 K320R318-G322 PolarHBondContact O-N 3.23Å; R318-G322 VanDerWaalsContact O-N 3.12Å; A319-G322 PolarHBondContact O-N 2.8Å; A319-G322 VanDerWaalsContact O-N 3.14Å; K320-G322 PolarHBondContact O-N 3.45Å
323K89.8Confident90.7Very high139 Ų13960 Ų6060%0.60433%0.333SS*.  trans-102.211-176.8-65.9179.3-178.1172.60113.7R318 D321 Q325R318-K323 PolarHBondContact O-N 3.42Å; D321-K323 HydrophobicContact CB-CD 4.26Å; D321-K323 HydrophobicContact CB-CG 4.22Å; D321-K323 PolarHBondContact O-N 2.85Å; K323-Q325 PolarHBondContact O-N 2.84Å; K323-Q325 PolarHBondContact O-NE2 3.5Å
324L88.9Confident90.9Very high14 Ų1454.7 Ų54.77%0.07331%0.306CS..  trans-67.5130.6177.8-127.9103000110.2I293 P295 L315 R318 A319 E328 F329I293-L324 HydrophobicContact CD1-CB 4.13Å; I293-L324 HydrophobicContact CD1-CD2 4.35Å; P295-L324 HydrophobicContact CB-CD1 4.39Å; P295-L324 HydrophobicContact CB-CD2 3.92Å; L315-L324 HydrophobicContact CD2-CD1 4.46Å; L315-L324 WeakPolarHBondContact O-CD1 3.47Å; R318-L324 HydrophobicContact CB-CD1 3.87Å; R318-L324 PolarHBondContact O-N 3.45Å; A319-L324 VanDerWaalsContact CA-CD1 3.41Å; A319-L324 HydrophobicContact CB-CD1 3.63Å; L324-E328 HydrophobicContact CD2-CB 3.63Å; L324-E328 HydrophobicContact CG-CB 4.04Å; L324-F329 HydrophobicContact CB-CD1 4.18Å; L324-F329 HydrophobicContact CD2-CB 3.76Å; L324-F329 HydrophobicContact CD2-CD1 3.9Å; L324-F329 HydrophobicContact CD2-CG 4.31Å
325Q88.9Confident91.1Very high102 Ų10252.6 Ų52.648%0.47729%0.288SS..  trans-77.6151.3178.9-61.4-59.9-46.600110.8K323 H327 E328 F329K323-Q325 PolarHBondContact O-N 2.84Å; K323-Q325 PolarHBondContact O-NE2 3.5Å; Q325-H327 VanDerWaalsContact C-N 3.26Å; Q325-H327 VanDerWaalsContact CB-CE1 3.42Å; Q325-H327 WeakPolarHBondContact CB-CE1 3.27Å; Q325-H327 WeakPolarHBondContact CB-ND1 3.41Å; Q325-H327 PolarHBondContact O-N 3.39Å; Q325-H327 VanDerWaalsContact O-N 3.16Å; Q325-E328 HydrophobicContact CB-CG 4.05Å; Q325-E328 PolarHBondContact N-OE2 3.19Å; Q325-E328 WeakPolarHBondContact O-CA 3.44Å; Q325-E328 WeakPolarHBondContact O-CB 3.29Å; Q325-E328 PolarHBondContact O-N 3.27Å; Q325-F329 WeakPolarHBondContact O-CD1 3.47Å; Q325-F329 WeakPolarHBondContact O-CE1 3.27Å
326P88.6Confident91.2Very high56 Ų5652.3 Ų52.336%0.36429%0.287SS..Hα-helixtrans-51.1-41-179.4-31.136.9000114.7E328 F329 Q330P326-E328 PolarHBondContact O-N 3.43Å; P326-F329 VanDerWaalsContact CA-CE1 3.43Å; P326-F329 HydrophobicContact CB-CE1 4.5Å; P326-F329 PolarHBondContact O-N 2.87Å; P326-Q330 WeakPolarHBondContact O-CB 3.47Å; P326-Q330 WeakPolarHBondContact O-CG 3.47Å; P326-Q330 PolarHBondContact O-N 3.49Å
327H89.4Confident91.4Very high121 Ų12152.4 Ų52.456%0.5629%0.286SS*.Hα-helixtrans-67.1-17.9178.769.2-89.1000113.1F298 Q325F298-H327 VanDerWaalsContact CZ-O 3.29Å; F298-H327 WeakPolarHBondContact CZ-O 3.49Å; Q325-H327 VanDerWaalsContact C-N 3.26Å; Q325-H327 VanDerWaalsContact CB-CE1 3.42Å; Q325-H327 WeakPolarHBondContact CB-CE1 3.27Å; Q325-H327 WeakPolarHBondContact CB-ND1 3.41Å; Q325-H327 PolarHBondContact O-N 3.39Å; Q325-H327 VanDerWaalsContact O-N 3.16Å
328E90.5Very high91.5Very high16 Ų1651.7 Ų51.78%0.07528%0.275CS..Hα-helixtrans-88.7-12-177.3-57.5-176.6117.900113.3P295 I296 L315 R318 L324 Q325 P326P295-E328 CarbonylContact C-O 3.52Å; P295-E328 WeakPolarHBondContact CA-O 3.48Å; I296-E328 WeakPolarHBondContact CB-O 3.31Å; I296-E328 WeakPolarHBondContact CG1-O 3.42Å; I296-E328 PolarHBondContact N-O 3.06Å; L315-E328 HydrophobicContact CD2-CB 4.17Å; L315-E328 HydrophobicContact CD2-CG 4.5Å; R318-E328 IonicContact CZ-OE1 3.06Å; R318-E328 IonicContact CZ-OE2 3.1Å; R318-E328 IonicContact NH1-OE1 3.66Å; R318-E328 PolarHBondContact NH1-OE1 3.31Å; R318-E328 IonicContact NH1-OE2 2.69Å; R318-E328 PolarHBondContact NH1-OE2 3.46Å; R318-E328 VanDerWaalsContact NH1-OE2 3.07Å; R318-E328 IonicContact NH2-OE1 2.79Å; R318-E328 PolarHBondContact NH2-OE1 3.4Å; R318-E328 IonicContact NH2-OE2 2.69Å; L324-E328 HydrophobicContact CD2-CB 3.63Å; L324-E328 HydrophobicContact CG-CB 4.04Å; Q325-E328 HydrophobicContact CB-CG 4.05Å; Q325-E328 PolarHBondContact N-OE2 3.19Å; Q325-E328 WeakPolarHBondContact O-CA 3.44Å; Q325-E328 WeakPolarHBondContact O-CB 3.29Å; Q325-E328 PolarHBondContact O-N 3.27Å; P326-E328 PolarHBondContact O-N 3.43Å
329F90.3Very high91.3Very high59 Ų5950.4 Ų50.426%0.25928%0.275SS..Hα-helixtrans-130-4.2176.965.8-93.5000114.2I293 T294 L324 Q325 P326I293-F329 HydrophobicContact CD1-CB 4.26Å; I293-F329 HydrophobicContact CD1-CD1 3.97Å; I293-F329 HydrophobicContact CD1-CE1 4.4Å; I293-F329 HydrophobicContact CD1-CG 4.01Å; I293-F329 HydrophobicContact CG1-CB 3.98Å; I293-F329 HydrophobicContact CG1-CD2 4.46Å; I293-F329 HydrophobicContact CG1-CG 4.12Å; T294-F329 WeakPolarHBondContact O-CA 3.38Å; L324-F329 HydrophobicContact CB-CD1 4.18Å; L324-F329 HydrophobicContact CD2-CB 3.76Å; L324-F329 HydrophobicContact CD2-CD1 3.9Å; L324-F329 HydrophobicContact CD2-CG 4.31Å; Q325-F329 WeakPolarHBondContact O-CD1 3.47Å; Q325-F329 WeakPolarHBondContact O-CE1 3.27Å; P326-F329 VanDerWaalsContact CA-CE1 3.43Å; P326-F329 HydrophobicContact CB-CE1 4.5Å; P326-F329 PolarHBondContact O-N 2.87Å
330Q86.2Confident90.8Very high72 Ų7250.9 Ų50.934%0.33628%0.28SS..SBendtrans-103.7120.9176.8-62.2-178.926.100110.4K30 I296 P326K30-Q330 VanDerWaalsContact NZ-CD 3.27Å; K30-Q330 VanDerWaalsContact NZ-NE2 3.11Å; I296-Q330 VanDerWaalsContact CD1-C 3.5Å; I296-Q330 WeakPolarHBondContact CD1-O 3.33Å; P326-Q330 WeakPolarHBondContact O-CB 3.47Å; P326-Q330 WeakPolarHBondContact O-CG 3.47Å; P326-Q330 PolarHBondContact O-N 3.49Å
331G88.6Confident90.5Very high43 Ų4350.8 Ų50.844%0.44328%0.283SS..  trans114.1-133-176.300000110.9Q355G331-Q355 PolarHBondContact O-NE2 3.37Å
332G91.6Very high90.3Very high9 Ų952.3 Ų52.39%0.09329%0.285CS..  trans76.7158.9-170.400000112.2Q355G332-Q355 WeakPolarHBondContact O-CG 3.45Å; G332-Q355 PolarHBondContact O-NE2 2.94Å
333T95.9Very high90.4Very high1 Ų151.7 Ų51.71%0.00628%0.278CS..SBendtrans-113.4-25-177560000112.4N266 Y277 Y279 D281N266-T333 WeakPolarHBondContact OD1-CB 3.37Å; N266-T333 PolarHBondContact OD1-OG1 2.74Å; Y277-T333 HydrophobicContact CD1-CG2 3.83Å; Y277-T333 HydrophobicContact CD2-CG2 3.66Å; Y277-T333 HydrophobicContact CE1-CG2 4.25Å; Y277-T333 HydrophobicContact CE2-CG2 4.14Å; Y277-T333 HydrophobicContact CG-CG2 3.5Å; Y277-T333 VanDerWaalsContact CG-CG2 3.5Å; Y279-T333 HydrophobicContact CD2-CG2 4.16Å; Y279-T333 HydrophobicContact CE2-CG2 3.72Å; D281-T333 HydrophobicContact CB-CG2 4.31Å; D281-T333 PolarHBondContact N-OG1 3.06Å; D281-T333 PolarHBondContact O-N 2.72Å; D281-T333 PolarHBondContact O-OG1 3.21Å
334F97.4Very high90.6Very high0 Ų047.4 Ų47.40%026%0.264CS..EExtended strand (participates in β ladder)trans-145.7146.2179.6-171-94.5000110V265 D281 V282 S283 V336 A357 L359 L386 W401V265-F334 HydrophobicContact CG1-CD2 4.15Å; V265-F334 HydrophobicContact CG1-CE2 3.83Å; D281-F334 PolarHBondContact O-N 3.28Å; D281-F334 VanDerWaalsContact O-N 3.08Å; V282-F334 CarbonylContact C-O 3.54Å; V282-F334 WeakPolarHBondContact CA-O 3.26Å; S283-F334 PolarHBondContact N-O 2.86Å; F334-V336 HydrophobicContact CD1-CG2 4.23Å; F334-V336 HydrophobicContact CE1-CG2 4.03Å; F334-A357 HydrophobicContact CD2-CB 3.93Å; F334-A357 HydrophobicContact CE2-CB 3.56Å; F334-L359 HydrophobicContact CE1-CB 3.88Å; F334-L359 HydrophobicContact CZ-CB 3.95Å; F334-L386 HydrophobicContact CE2-CD1 3.96Å; F334-L386 HydrophobicContact CZ-CD1 3.73Å; F334-W401 HydrophobicContact CE1-CH2 4.04Å; F334-W401 AromaticContact CE1-CZ2 3.84Å; F334-W401 HydrophobicContact CE1-CZ2 3.84Å; F334-W401 HydrophobicContact CE2-CH2 4.4Å; F334-W401 AromaticContact CE2-CZ2 3.86Å; F334-W401 HydrophobicContact CE2-CZ2 3.86Å; F334-W401 AromaticContact CZ-CH2 3.56Å; F334-W401 HydrophobicContact CZ-CH2 3.56Å; F334-W401 AromaticContact CZ-CZ2 3.35Å; F334-W401 HydrophobicContact CZ-CZ2 3.35Å; F334-W401 HydrophobicContact CZ-CZ3 4.34Å
335S97.3Very high90.7Very high2 Ų250.3 Ų50.31%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-114.7145.1179-73.70000112.7S283 Q355 A357 I358 L359S283-S335 WeakPolarHBondContact CB-OG 3.46Å; S283-S335 CarbonylContact O-C 3.6Å; S283-S335 VanDerWaalsContact O-CA 3.28Å; S283-S335 WeakPolarHBondContact O-CA 3.47Å; S335-Q355 VanDerWaalsContact N-OE1 3.07Å; S335-Q355 PolarHBondContact OG-OE1 2.92Å; S335-A357 PolarHBondContact N-O 2.91Å; S335-I358 CarbonylContact O-C 3.45Å; S335-I358 VanDerWaalsContact O-CA 3.31Å; S335-I358 WeakPolarHBondContact O-CA 3.38Å; S335-L359 PolarHBondContact O-N 3.36Å
336V97.4Very high90.9Very high1 Ų152.1 Ų52.11%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-122.4128.1169.5178.60000108.8I251 V282 S283 V284 A285 F334 L359 V361I251-V336 HydrophobicContact CG2-CG1 4.03Å; V282-V336 HydrophobicContact CG1-CB 4.45Å; V282-V336 HydrophobicContact CG1-CG2 3.78Å; S283-V336 PolarHBondContact O-N 2.96Å; V284-V336 WeakPolarHBondContact CA-O 3.49Å; A285-V336 PolarHBondContact N-O 2.8Å; F334-V336 HydrophobicContact CD1-CG2 4.23Å; F334-V336 HydrophobicContact CE1-CG2 4.03Å; V336-L359 WeakPolarHBondContact CA-O 3.47Å; V336-L359 HydrophobicContact CG2-CB 4.39Å; V336-V361 HydrophobicContact CG1-CG2 4.07Å
337S95.8Very high91.3Very high13 Ų1351.2 Ų51.29%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-121.1125.2173.5-177.10000108.9F347 L359 A360 V361S337-F347 WeakPolarHBondContact O-CZ 3.43Å; S337-L359 PolarHBondContact N-O 3.23Å; S337-A360 CarbonylContact O-C 3.46Å; S337-A360 WeakPolarHBondContact O-CA 3.38Å; S337-V361 PolarHBondContact O-N 3.5Å
338N92.8Very high91.5Very high33 Ų3348.5 Ų48.518%0.17627%0.267CS..EExtended strand (participates in β ladder)trans-119.6111.5-176.9-175.5-8.9000110.3N248 G340 V361N248-N338 PolarHBondContact OD1-ND2 2.63Å; N338-G340 PolarHBondContact OD1-N 2.82Å; N338-V361 HydrophobicContact CB-CB 4.18Å; N338-V361 PolarHBondContact OD1-O 3.1Å
339L89.7Confident91.7Very high58 Ų5848.2 Ų48.230%0.30427%0.267SS..  trans-110.85.7173.7-63-178.5000112.4M341 F342 V344 F347 V361L339-M341 PolarHBondContact O-N 3.23Å; L339-F342 HydrophobicContact CD2-CD2 3.9Å; L339-F342 HydrophobicContact CD2-CE2 4.13Å; L339-F342 PolarHBondContact O-N 2.95Å; L339-V344 HydrophobicContact CB-CB 4.05Å; L339-V344 HydrophobicContact CB-CG2 4.15Å; L339-F347 HydrophobicContact CB-CD1 4.13Å; L339-F347 HydrophobicContact CB-CE1 3.68Å; L339-F347 HydrophobicContact CB-CZ 3.94Å; L339-F347 HydrophobicContact CD1-CD1 4.15Å; L339-F347 HydrophobicContact CD1-CD2 3.72Å; L339-F347 HydrophobicContact CD1-CE1 4.06Å; L339-F347 HydrophobicContact CD1-CE2 3.6Å; L339-F347 HydrophobicContact CD1-CG 3.98Å; L339-F347 HydrophobicContact CD1-CZ 3.78Å; L339-F347 HydrophobicContact CG-CD1 4.43Å; L339-F347 HydrophobicContact CG-CD2 4.46Å; L339-F347 HydrophobicContact CG-CE1 3.9Å; L339-F347 HydrophobicContact CG-CE2 3.93Å; L339-F347 HydrophobicContact CG-CZ 3.61Å; L339-V361 PolarHBondContact N-O 3.43Å; L339-V361 VanDerWaalsContact N-O 3.1Å
340G80.6Confident91.9Very high12 Ų1248.5 Ų48.512%0.12427%0.271CS..G310 helixtrans-58.8-29.3177.500000113.2N338 F342 G343 V361 G362 T363N338-G340 PolarHBondContact OD1-N 2.82Å; G340-F342 PolarHBondContact O-N 3.05Å; G340-G343 PolarHBondContact O-N 2.93Å; G340-V361 PolarHBondContact N-O 2.97Å; G340-G362 VanDerWaalsContact CA-C 3.44Å; G340-T363 VanDerWaalsContact CA-N 3.34Å; G340-T363 WeakPolarHBondContact O-CB 3.12Å; G340-T363 PolarHBondContact O-OG1 2.85Å
341M82.5Confident92.4Very high144 Ų14445.1 Ų45.171%0.70926%0.255SS*.G310 helixtrans-63.3-21.6174.973.3-177.572.800113.9L339L339-M341 PolarHBondContact O-N 3.23Å
342F88.2Confident92.5Very high140 Ų14045.1 Ų45.161%0.61425%0.245SC*.G310 helixtrans-94.67.1177.4-63.2-77.7000112.6L339 G340 V344L339-F342 HydrophobicContact CD2-CD2 3.9Å; L339-F342 HydrophobicContact CD2-CE2 4.13Å; L339-F342 PolarHBondContact O-N 2.95Å; G340-F342 PolarHBondContact O-N 3.05Å; F342-V344 VanDerWaalsContact C-N 3.3Å; F342-V344 HydrophobicContact CB-CG2 4.29Å; F342-V344 PolarHBondContact O-N 3.29Å
343G89Confident92.5Very high50 Ų5046.9 Ų46.952%0.51526%0.255SS..THydrogen-bonded Turntrans74.418.5-177.600000114G340 D345G340-G343 PolarHBondContact O-N 2.93Å; G343-D345 PolarHBondContact O-N 3.01Å
344V92.4Very high92.3Very high50 Ų5049.6 Ų49.630%0.30327%0.273SS..  trans-79.5116.3176.6178.30000109.4L339 F342 F347 G362 T363L339-V344 HydrophobicContact CB-CB 4.05Å; L339-V344 HydrophobicContact CB-CG2 4.15Å; F342-V344 VanDerWaalsContact C-N 3.3Å; F342-V344 HydrophobicContact CB-CG2 4.29Å; F342-V344 PolarHBondContact O-N 3.29Å; V344-F347 HydrophobicContact CG1-CB 4.04Å; V344-F347 HydrophobicContact CG1-CD1 3.99Å; V344-F347 HydrophobicContact CG1-CG 4.35Å; V344-G362 CarbonylContact O-C 3.57Å; V344-G362 VanDerWaalsContact O-CA 3.25Å; V344-G362 WeakPolarHBondContact O-CA 3.33Å; V344-T363 PolarHBondContact O-N 2.66Å
345D91.4Very high92.1Very high75 Ų7549.7 Ų49.740%0.40127%0.273SS..  trans-68.8-50.7-179.9-66.5-20.5000112.5G343 G362 T363 Q365 S383G343-D345 PolarHBondContact O-N 3.01Å; D345-G362 WeakPolarHBondContact O-CA 3.44Å; D345-T363 WeakPolarHBondContact OD1-CG2 3.44Å; D345-Q365 PolarHBondContact OD1-NE2 2.9Å; D345-Q365 PolarHBondContact OD2-NE2 3.12Å; D345-Q365 VanDerWaalsContact OD2-NE2 3.1Å; D345-S383 WeakPolarHBondContact O-CB 3.19Å
346R93.8Very high92.1Very high139 Ų13949.6 Ų49.653%0.52527%0.272SS..  trans-145.2138.1-177.5-66.5-178177.7176-5109.9D221 S383D221-R346 VanDerWaalsContact CG-NH2 3.26Å; D221-R346 IonicContact OD1-CZ 2.63Å; D221-R346 IonicContact OD1-NE 3.03Å; D221-R346 IonicContact OD1-NH2 2.91Å; D221-R346 PolarHBondContact OD1-NH2 3.25Å; D221-R346 IonicContact OD2-NH2 2.72Å; D221-R346 PolarHBondContact OD2-NH2 2.95Å; R346-S383 PolarHBondContact NE-OG 3.4Å; R346-S383 VanDerWaalsContact NE-OG 3.11Å
347F95.8Very high92.1Very high37 Ų3749.5 Ų49.516%0.16227%0.272CS..  trans-151.5167.2171.472.8-73.8000109.9S337 L339 V344 A349 A360 V361 T385S337-F347 WeakPolarHBondContact O-CZ 3.43Å; L339-F347 HydrophobicContact CB-CD1 4.13Å; L339-F347 HydrophobicContact CB-CE1 3.68Å; L339-F347 HydrophobicContact CB-CZ 3.94Å; L339-F347 HydrophobicContact CD1-CD1 4.15Å; L339-F347 HydrophobicContact CD1-CD2 3.72Å; L339-F347 HydrophobicContact CD1-CE1 4.06Å; L339-F347 HydrophobicContact CD1-CE2 3.6Å; L339-F347 HydrophobicContact CD1-CG 3.98Å; L339-F347 HydrophobicContact CD1-CZ 3.78Å; L339-F347 HydrophobicContact CG-CD1 4.43Å; L339-F347 HydrophobicContact CG-CD2 4.46Å; L339-F347 HydrophobicContact CG-CE1 3.9Å; L339-F347 HydrophobicContact CG-CE2 3.93Å; L339-F347 HydrophobicContact CG-CZ 3.61Å; V344-F347 HydrophobicContact CG1-CB 4.04Å; V344-F347 HydrophobicContact CG1-CD1 3.99Å; V344-F347 HydrophobicContact CG1-CG 4.35Å; F347-A349 HydrophobicContact CE2-CB 4.1Å; F347-A360 HydrophobicContact CD1-CB 4.01Å; F347-A360 HydrophobicContact CD2-CB 3.87Å; F347-A360 HydrophobicContact CE1-CB 3.64Å; F347-A360 HydrophobicContact CE2-CB 3.5Å; F347-A360 HydrophobicContact CG-CB 4.12Å; F347-A360 HydrophobicContact CZ-CB 3.38Å; F347-A360 WeakPolarHBondContact O-CB 3.18Å; F347-V361 WeakPolarHBondContact CE1-O 3.42Å; F347-T385 WeakPolarHBondContact O-CB 2.8Å; F347-T385 WeakPolarHBondContact O-CG2 3.48Å; F347-T385 PolarHBondContact O-OG1 3.48Å
348S94.7Very high92.1Very high65 Ų6549.5 Ų49.546%0.45527%0.271SS..  trans-118.4118.9176.3-58.10000108.4
349A94.6Very high92.4Very high9 Ų948 Ų487%0.07426%0.262CS..PPolyproline II helixtrans-80.4156.1178.200000111.2F347 I358 A360 S387F347-A349 HydrophobicContact CE2-CB 4.1Å; A349-I358 HydrophobicContact CB-CB 4.46Å; A349-I358 HydrophobicContact CB-CD1 3.7Å; A349-I358 HydrophobicContact CB-CG1 3.82Å; A349-I358 HydrophobicContact CB-CG2 3.78Å; A349-A360 HydrophobicContact CB-CB 4.06Å; A349-S387 WeakPolarHBondContact O-CB 3.5Å; A349-S387 PolarHBondContact O-OG 2.89Å
350I94.9Very high92.8Very high66 Ų6645.2 Ų45.234%0.33825%0.248SC..PPolyproline II helixtrans-85130.3172.8-62.6173.1000107.4L206 S209 N352L206-I350 HydrophobicContact CD2-CB 4.24Å; L206-I350 HydrophobicContact CD2-CD1 4.09Å; L206-I350 HydrophobicContact CD2-CG2 3.94Å; S209-I350 WeakPolarHBondContact OG-CG2 3.45Å; I350-N352 PolarHBondContact O-N 3.44Å
351I95.5Very high93.6Very high1 Ų144.7 Ų44.71%0.00524%0.242CC..PPolyproline II helixtrans-61.4136.1178.9-66.5163.5000109S209 I213 H215 P353 Q355 I358 D389S209-I351 WeakPolarHBondContact CB-O 3.47Å; S209-I351 PolarHBondContact OG-O 3.18Å; I213-I351 HydrophobicContact CD1-CB 4.27Å; I213-I351 HydrophobicContact CD1-CG2 3.95Å; I213-I351 HydrophobicContact CG2-CD1 3.79Å; H215-I351 PolarHBondContact NE2-N 2.92Å; H215-I351 VanDerWaalsContact NE2-N 3.17Å; I351-P353 VanDerWaalsContact O-CD 3.22Å; I351-P353 WeakPolarHBondContact O-CD 3.28Å; I351-Q355 WeakPolarHBondContact CG2-O 3.32Å; I351-I358 HydrophobicContact CB-CG2 4.48Å; I351-I358 HydrophobicContact CG1-CG2 3.95Å; I351-D389 HydrophobicContact CD1-CB 4.34Å
352N91.5Very high94.2Very high42 Ų4238 Ų3823%0.22521%0.21CC..  trans-92.498.2177.7-174.718.9000109.8I350 Q355I350-N352 PolarHBondContact O-N 3.44Å; N352-Q355 WeakPolarHBondContact O-CB 3.07Å; N352-Q355 VanDerWaalsContact O-CG 3.32Å; N352-Q355 WeakPolarHBondContact O-CG 3.5Å; N352-Q355 PolarHBondContact O-N 3.23Å
353P90.5Very high94.5Very high47 Ų4732.8 Ų32.831%0.30519%0.19SC..THydrogen-bonded Turntrans-64.9146.4-175.2-14.831.4000110.7I213 I351I213-P353 HydrophobicContact CD1-CB 4.32Å; I213-P353 HydrophobicContact CD1-CG 3.85Å; I351-P353 VanDerWaalsContact O-CD 3.22Å; I351-P353 WeakPolarHBondContact O-CD 3.28Å
354P91.7Very high94.7Very high58 Ų5832.7 Ų32.738%0.37718%0.181SC..THydrogen-bonded Turncis-86.84.2936-37.6000114.9S268 L270S268-P354 WeakPolarHBondContact CA-O 3.41Å; S268-P354 WeakPolarHBondContact CB-O 3.41Å; S268-P354 PolarHBondContact OG-O 3.43Å; L270-P354 HydrophobicContact CD2-CB 4.3Å
355Q95Very high94.7Very high1 Ų134.7 Ų34.71%0.00519%0.187CC..BIsolated β-bridgetrans-59143-177.7-51.3176.25.800110.7S283 G331 G332 S335 I351 N352S283-Q355 PolarHBondContact OG-NE2 3.45Å; G331-Q355 PolarHBondContact O-NE2 3.37Å; G332-Q355 WeakPolarHBondContact O-CG 3.45Å; G332-Q355 PolarHBondContact O-NE2 2.94Å; S335-Q355 VanDerWaalsContact N-OE1 3.07Å; S335-Q355 PolarHBondContact OG-OE1 2.92Å; I351-Q355 WeakPolarHBondContact CG2-O 3.32Å; N352-Q355 WeakPolarHBondContact O-CB 3.07Å; N352-Q355 VanDerWaalsContact O-CG 3.32Å; N352-Q355 WeakPolarHBondContact O-CG 3.5Å; N352-Q355 PolarHBondContact O-N 3.23Å
356A96Very high94.7Very high0 Ų038.7 Ų38.70%020%0.201CC..SBendtrans-86.4-11.7179.500000114.2S267 C388 D389 V392 I393S267-A356 WeakPolarHBondContact O-CB 3.44Å; S267-A356 PolarHBondContact O-N 3.32Å; S267-A356 VanDerWaalsContact O-N 3.11Å; A356-C388 CarbonylContact O-C 3.58Å; A356-C388 WeakPolarHBondContact O-CA 3.43Å; A356-D389 HydrophobicContact CB-CB 4.16Å; A356-D389 PolarHBondContact O-N 3.44Å; A356-V392 HydrophobicContact CB-CB 3.92Å; A356-V392 HydrophobicContact CB-CG1 3.9Å; A356-V392 HydrophobicContact CB-CG2 4.23Å; A356-I393 HydrophobicContact CB-CD1 3.77Å; A356-I393 HydrophobicContact CB-CG1 4.27Å
357A97Very high94.6Very high0 Ų035 Ų350%019%0.191CC..EExtended strand (participates in β ladder)trans-148149.5-176.100000114.6V265 F334 S335 L386 S387 I393V265-A357 HydrophobicContact CG1-CB 3.89Å; F334-A357 HydrophobicContact CD2-CB 3.93Å; F334-A357 HydrophobicContact CE2-CB 3.56Å; S335-A357 PolarHBondContact N-O 2.91Å; A357-L386 HydrophobicContact CB-CD1 4.21Å; A357-S387 VanDerWaalsContact CA-O 3.26Å; A357-S387 WeakPolarHBondContact CA-O 3.38Å; A357-I393 HydrophobicContact CB-CD1 3.77Å
358I97.5Very high94.3Very high13 Ų1338.1 Ų38.17%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-137.4130.9170.6-176.7161.3000110.5S335 A349 I351 S387S335-I358 CarbonylContact O-C 3.45Å; S335-I358 VanDerWaalsContact O-CA 3.31Å; S335-I358 WeakPolarHBondContact O-CA 3.38Å; A349-I358 HydrophobicContact CB-CB 4.46Å; A349-I358 HydrophobicContact CB-CD1 3.7Å; A349-I358 HydrophobicContact CB-CG1 3.82Å; A349-I358 HydrophobicContact CB-CG2 3.78Å; I351-I358 HydrophobicContact CB-CG2 4.48Å; I351-I358 HydrophobicContact CG1-CG2 3.95Å; I358-S387 PolarHBondContact N-O 2.85Å; I358-S387 PolarHBondContact O-N 3.22Å
359L98.3Very high94Very high0 Ų036.1 Ų36.10%020%0.201CC..EExtended strand (participates in β ladder)trans-90.8118.4173.8-172.571.8000110.1I251 F334 S335 V336 S337 V361 V384 L386 W401 L402 F405I251-L359 HydrophobicContact CG2-CD2 4.13Å; F334-L359 HydrophobicContact CE1-CB 3.88Å; F334-L359 HydrophobicContact CZ-CB 3.95Å; S335-L359 PolarHBondContact O-N 3.36Å; V336-L359 WeakPolarHBondContact CA-O 3.47Å; V336-L359 HydrophobicContact CG2-CB 4.39Å; S337-L359 PolarHBondContact N-O 3.23Å; L359-V361 HydrophobicContact CD2-CG2 3.92Å; L359-V361 HydrophobicContact CG-CG2 4.11Å; L359-V384 HydrophobicContact CD1-CB 3.91Å; L359-V384 HydrophobicContact CD1-CG2 4.21Å; L359-V384 HydrophobicContact CG-CB 4.5Å; L359-L386 HydrophobicContact CB-CD1 4.43Å; L359-L386 HydrophobicContact CD1-CB 4.46Å; L359-L386 HydrophobicContact CD1-CD1 4.22Å; L359-W401 HydrophobicContact CD1-CH2 4.27Å; L359-W401 HydrophobicContact CD1-CZ3 3.95Å; L359-W401 HydrophobicContact CD2-CH2 4.2Å; L359-L402 HydrophobicContact CD1-CD2 4.42Å; L359-F405 HydrophobicContact CD2-CE1 4.22Å; L359-F405 HydrophobicContact CD2-CE2 3.85Å; L359-F405 HydrophobicContact CD2-CZ 3.68Å
360A97.4Very high93.6Very high0 Ų042.7 Ų42.70%023%0.228CC..EExtended strand (participates in β ladder)trans-93.8118.3169.600000109.8S337 F347 A349 V384 T385S337-A360 CarbonylContact O-C 3.46Å; S337-A360 WeakPolarHBondContact O-CA 3.38Å; F347-A360 HydrophobicContact CD1-CB 4.01Å; F347-A360 HydrophobicContact CD2-CB 3.87Å; F347-A360 HydrophobicContact CE1-CB 3.64Å; F347-A360 HydrophobicContact CE2-CB 3.5Å; F347-A360 HydrophobicContact CG-CB 4.12Å; F347-A360 HydrophobicContact CZ-CB 3.38Å; F347-A360 WeakPolarHBondContact O-CB 3.18Å; A349-A360 HydrophobicContact CB-CB 4.06Å; A360-V384 CarbonylContact O-C 3.52Å; A360-V384 WeakPolarHBondContact O-CA 3.42Å; A360-T385 PolarHBondContact N-O 3.11Å; A360-T385 PolarHBondContact O-N 2.56Å
361V97.5Very high93Very high1 Ų141 Ų411%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-103.7115-177.2-177.60000110.1I251 V336 S337 N338 L339 G340 F347 L359 M382 V384I251-V361 HydrophobicContact CD1-CG1 3.86Å; I251-V361 HydrophobicContact CD1-CG2 4.37Å; I251-V361 HydrophobicContact CG2-CG2 4.09Å; V336-V361 HydrophobicContact CG1-CG2 4.07Å; S337-V361 PolarHBondContact O-N 3.5Å; N338-V361 HydrophobicContact CB-CB 4.18Å; N338-V361 PolarHBondContact OD1-O 3.1Å; L339-V361 PolarHBondContact N-O 3.43Å; L339-V361 VanDerWaalsContact N-O 3.1Å; G340-V361 PolarHBondContact N-O 2.97Å; F347-V361 WeakPolarHBondContact CE1-O 3.42Å; L359-V361 HydrophobicContact CD2-CG2 3.92Å; L359-V361 HydrophobicContact CG-CG2 4.11Å; V361-M382 HydrophobicContact CG1-CE 4.14Å; V361-M382 HydrophobicContact CG1-CG 4.16Å; V361-M382 HydrophobicContact CG1-SD 3.5Å; V361-M382 VanDerWaalsContact CG1-SD 3.5Å; V361-V384 HydrophobicContact CG1-CG1 4.4Å; V361-V384 HydrophobicContact CG2-CG1 4.34Å
362G95.6Very high92.5Very high3 Ų351 Ų513%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-82.2-177.8175.900000113.7G340 V344 D345 S383G340-G362 VanDerWaalsContact CA-C 3.44Å; V344-G362 CarbonylContact O-C 3.57Å; V344-G362 VanDerWaalsContact O-CA 3.25Å; V344-G362 WeakPolarHBondContact O-CA 3.33Å; D345-G362 WeakPolarHBondContact O-CA 3.44Å; G362-S383 WeakPolarHBondContact CA-O 3.38Å; G362-S383 PolarHBondContact N-O 3.36Å
363T94.1Very high92.2Very high32 Ų3254.2 Ų54.220%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-71.7162.1177.3-169.70000111.6G340 V344 D345 Q365G340-T363 VanDerWaalsContact CA-N 3.34Å; G340-T363 WeakPolarHBondContact O-CB 3.12Å; G340-T363 PolarHBondContact O-OG1 2.85Å; V344-T363 PolarHBondContact O-N 2.66Å; D345-T363 WeakPolarHBondContact OD1-CG2 3.44Å; T363-Q365 HydrophobicContact CG2-CG 4.19Å
364S92.8Very high91.9Very high48 Ų4860.4 Ų60.434%0.33630%0.302SS..EExtended strand (participates in β ladder)trans-96.1124.8175-52.20000109.5I224 L381I224-S364 WeakPolarHBondContact CD1-OG 3.43Å; S364-L381 CarbonylContact C-O 3.53Å; S364-L381 VanDerWaalsContact CA-O 3.3Å; S364-L381 WeakPolarHBondContact CA-O 3.35Å
365Q92.3Very high91.7Very high91 Ų9164.9 Ų64.943%0.42531%0.312SS..EExtended strand (participates in β ladder)trans-116.5137.2179.6-64-172-20.300110.5D345 T363 T380 L381D345-Q365 PolarHBondContact OD1-NE2 2.9Å; D345-Q365 PolarHBondContact OD2-NE2 3.12Å; D345-Q365 VanDerWaalsContact OD2-NE2 3.1Å; T363-Q365 HydrophobicContact CG2-CG 4.19Å; Q365-T380 WeakPolarHBondContact O-CA 3.38Å; Q365-L381 PolarHBondContact N-O 3.36Å; Q365-L381 PolarHBondContact O-N 3.2Å
366K92.1Very high91.4Very high160 Ų16069 Ų6970%0.69634%0.34SS*.EExtended strand (participates in β ladder)trans-81.2121.8167.9-69.1-173.2176.1-168.30109K379K366-K379 CarbonylContact C-O 3.59Å; K366-K379 WeakPolarHBondContact CA-O 3.3Å
367I92.1Very high91.1Very high60 Ų6071.2 Ų71.231%0.30835%0.353SS..EExtended strand (participates in β ladder)trans-120.8157.3175.563.7151.3000110.1A369 E378 K379 L381I367-A369 HydrophobicContact CD1-CB 4.22Å; I367-E378 WeakPolarHBondContact O-CA 3.47Å; I367-K379 HydrophobicContact CG1-CB 4.32Å; I367-K379 PolarHBondContact N-O 3.08Å; I367-K379 PolarHBondContact O-N 3.03Å; I367-L381 HydrophobicContact CD1-CD1 3.28Å; I367-L381 HydrophobicContact CD1-CG 3.77Å; I367-L381 HydrophobicContact CG1-CD1 3.96Å; I367-L381 HydrophobicContact CG1-CG 3.92Å
368V89.9Confident90.9Very high103 Ų10378.3 Ų78.362%0.62439%0.386SS*.EExtended strand (participates in β ladder)trans-94.5120.6167.3-178.70000107.7C376V368-C376 HydrophobicContact CG1-CB 3.78Å
369A87.2Confident90.6Very high24 Ų2480 Ų8020%0.19839%0.393CS..EExtended strand (participates in β ladder)trans-124.6158.1177.600000110.1I367 V377 K379I367-A369 HydrophobicContact CD1-CB 4.22Å; A369-V377 PolarHBondContact N-O 2.75Å; A369-V377 WeakPolarHBondContact O-CG2 3.4Å; A369-V377 PolarHBondContact O-N 2.97Å; A369-V377 VanDerWaalsContact O-O 3.1Å; A369-K379 HydrophobicContact CB-CD 3.89Å; A369-K379 HydrophobicContact CB-CG 4.26Å
370F87.4Confident90.4Very high146 Ų14681 Ų8164%0.6440%0.4SS*.EExtended strand (participates in β ladder)trans-80.9131.6170.9-68.1-72.5000110K374 R375 C376F370-K374 WeakPolarHBondContact CD1-O 3.45Å; F370-R375 WeakPolarHBondContact CA-O 3.26Å; F370-C376 VanDerWaalsContact CE1-SG 3.52Å
371D82.7Confident90.3Very high32 Ų3282.8 Ų82.817%0.17141%0.409CS..  trans-71.7179.4165.775.10.8000111.1D373 K374 R375 V377D371-D373 PolarHBondContact O-N 2.96Å; D371-D373 VanDerWaalsContact O-N 3.17Å; D371-D373 VanDerWaalsContact OD1-CA 3.22Å; D371-D373 WeakPolarHBondContact OD1-CA 3.29Å; D371-D373 WeakPolarHBondContact OD1-CB 3.41Å; D371-D373 PolarHBondContact OD1-N 3.44Å; D371-K374 PolarHBondContact O-N 3.5Å; D371-K374 PolarHBondContact OD1-N 3.34Å; D371-R375 PolarHBondContact N-O 3.16Å; D371-R375 PolarHBondContact OD1-N 2.95Å; D371-R375 IonicContact OD1-NE 3.93Å; D371-R375 IonicContact OD2-CZ 3.23Å; D371-R375 VanDerWaalsContact OD2-CZ 3.23Å; D371-R375 IonicContact OD2-NE 2.83Å; D371-R375 PolarHBondContact OD2-NE 3.17Å; D371-R375 IonicContact OD2-NH2 2.78Å; D371-R375 PolarHBondContact OD2-NH2 3.23Å; D371-V377 HydrophobicContact CB-CG1 4.03Å; D371-V377 HydrophobicContact CB-CG2 3.92Å
372K83.6Confident90.2Very high211 Ų21182.8 Ų82.892%0.91741%0.409SS*.THydrogen-bonded Turntrans-60.4-23.7176.6-65.5-177.1-179179.40113K374K372-K374 VanDerWaalsContact C-N 3.33Å
373D84.9Confident90.2Very high109 Ų10983.6 Ų83.658%0.58341%0.414SS*.THydrogen-bonded Turntrans-93.911.8179.9-55.1-36.6000112.1D371 R375D371-D373 PolarHBondContact O-N 2.96Å; D371-D373 VanDerWaalsContact O-N 3.17Å; D371-D373 VanDerWaalsContact OD1-CA 3.22Å; D371-D373 WeakPolarHBondContact OD1-CA 3.29Å; D371-D373 WeakPolarHBondContact OD1-CB 3.41Å; D371-D373 PolarHBondContact OD1-N 3.44Å; D373-R375 HydrophobicContact CB-CG 4.44Å; D373-R375 PolarHBondContact O-N 3.48Å; D373-R375 IonicContact OD2-CZ 3.43Å; D373-R375 IonicContact OD2-NH2 2.71Å; D373-R375 PolarHBondContact OD2-NH2 3.08Å
374K85.4Confident90.4Very high177 Ų17782 Ų8277%0.7740%0.404SS*.SBendtrans58.624.6-177.6-55.5-179.6179.5179.50114.3F370 D371 K372F370-K374 WeakPolarHBondContact CD1-O 3.45Å; D371-K374 PolarHBondContact O-N 3.5Å; D371-K374 PolarHBondContact OD1-N 3.34Å; K372-K374 VanDerWaalsContact C-N 3.33Å
375R87.3Confident90.6Very high151 Ų15179.9 Ų79.957%0.5739%0.389SS*.  trans-87.2141.6170-60.7175.6-63.8-158.8-7.4109.5F370 D371 D373 V377F370-R375 WeakPolarHBondContact CA-O 3.26Å; D371-R375 PolarHBondContact N-O 3.16Å; D371-R375 PolarHBondContact OD1-N 2.95Å; D371-R375 IonicContact OD1-NE 3.93Å; D371-R375 IonicContact OD2-CZ 3.23Å; D371-R375 VanDerWaalsContact OD2-CZ 3.23Å; D371-R375 IonicContact OD2-NE 2.83Å; D371-R375 PolarHBondContact OD2-NE 3.17Å; D371-R375 IonicContact OD2-NH2 2.78Å; D371-R375 PolarHBondContact OD2-NH2 3.23Å; D373-R375 HydrophobicContact CB-CG 4.44Å; D373-R375 PolarHBondContact O-N 3.48Å; D373-R375 IonicContact OD2-CZ 3.43Å; D373-R375 IonicContact OD2-NH2 2.71Å; D373-R375 PolarHBondContact OD2-NH2 3.08Å; R375-V377 PolarHBondContact O-N 3.35Å
376C87.9Confident90.9Very high89 Ų8975.6 Ų75.660%0.60137%0.369SS*.EExtended strand (participates in β ladder)trans-68.3117.6171.5-63.20000109.1V368 F370V368-C376 HydrophobicContact CG1-CB 3.78Å; F370-C376 VanDerWaalsContact CE1-SG 3.52Å
377V90.1Very high91.2Very high46 Ų4668 Ų6828%0.27934%0.336SS..EExtended strand (participates in β ladder)trans-122.7141.9174.5-64.90000109.6A369 D371 R375 K379A369-V377 PolarHBondContact N-O 2.75Å; A369-V377 WeakPolarHBondContact O-CG2 3.4Å; A369-V377 PolarHBondContact O-N 2.97Å; A369-V377 VanDerWaalsContact O-O 3.1Å; D371-V377 HydrophobicContact CB-CG1 4.03Å; D371-V377 HydrophobicContact CB-CG2 3.92Å; R375-V377 PolarHBondContact O-N 3.35Å; V377-K379 HydrophobicContact CG2-CG 4.19Å
378E91.8Very high91.4Very high148 Ų14865.1 Ų65.169%0.69232%0.322SS*.EExtended strand (participates in β ladder)trans-74.3133.5169.9-66.9-174.4-175.900109.4I367I367-E378 WeakPolarHBondContact O-CA 3.47Å
379K92.6Very high91.7Very high48 Ų4860.3 Ų60.321%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-132.5144.9175.3-64.5-167.2170.4-155.40110.5E223 D225 K366 I367 A369 V377E223-K379 IonicContact OE1-NZ 3.21Å; E223-K379 WeakPolarHBondContact OE2-CD 3.5Å; E223-K379 WeakPolarHBondContact OE2-CE 3.41Å; E223-K379 IonicContact OE2-NZ 2.74Å; E223-K379 PolarHBondContact OE2-NZ 2.67Å; D225-K379 WeakPolarHBondContact OD2-CA 3.22Å; K366-K379 CarbonylContact C-O 3.59Å; K366-K379 WeakPolarHBondContact CA-O 3.3Å; I367-K379 HydrophobicContact CG1-CB 4.32Å; I367-K379 PolarHBondContact N-O 3.08Å; I367-K379 PolarHBondContact O-N 3.03Å; A369-K379 HydrophobicContact CB-CD 3.89Å; A369-K379 HydrophobicContact CB-CG 4.26Å; V377-K379 HydrophobicContact CG2-CG 4.19Å
380T94.5Very high92.1Very high23 Ų2363.3 Ų63.314%0.14130%0.302CS..EExtended strand (participates in β ladder)trans-99.8111.5172.7-47.50000109I224 D225 Q365I224-T380 HydrophobicContact CD1-CG2 3.8Å; I224-T380 HydrophobicContact CG1-CG2 3.73Å; I224-T380 WeakPolarHBondContact CG1-O 3.47Å; I224-T380 PolarHBondContact N-O 3.33Å; D225-T380 WeakPolarHBondContact OD1-CB 3.34Å; D225-T380 PolarHBondContact OD1-N 3.35Å; D225-T380 VanDerWaalsContact OD1-N 3.14Å; D225-T380 PolarHBondContact OD1-OG1 3.27Å; D225-T380 PolarHBondContact OD2-N 3.45Å; Q365-T380 WeakPolarHBondContact O-CA 3.38Å
381L94.8Very high92.5Very high37 Ų3760.4 Ų60.419%0.19429%0.287CS..EExtended strand (participates in β ladder)trans-102.4139.9176.1-66.7-170.1000111.2D221 V222 E223 S364 Q365 I367D221-L381 HydrophobicContact CB-CD1 4.09Å; V222-L381 CarbonylContact O-C 3.49Å; V222-L381 WeakPolarHBondContact O-CA 3.33Å; E223-L381 HydrophobicContact CB-CD2 3.98Å; S364-L381 CarbonylContact C-O 3.53Å; S364-L381 VanDerWaalsContact CA-O 3.3Å; S364-L381 WeakPolarHBondContact CA-O 3.35Å; Q365-L381 PolarHBondContact N-O 3.36Å; Q365-L381 PolarHBondContact O-N 3.2Å; I367-L381 HydrophobicContact CD1-CD1 3.28Å; I367-L381 HydrophobicContact CD1-CG 3.77Å; I367-L381 HydrophobicContact CG1-CD1 3.96Å; I367-L381 HydrophobicContact CG1-CG 3.92Å
382M95.4Very high93.1Very high1 Ų160 Ų601%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-117.2122.4169.1-176.3179.772.400108.6V222 I224 L247 I251 V361 V384 M409V222-M382 PolarHBondContact N-O 3.17Å; V222-M382 PolarHBondContact O-N 2.99Å; I224-M382 HydrophobicContact CD1-CB 4.19Å; I224-M382 HydrophobicContact CG2-CB 3.89Å; I224-M382 HydrophobicContact CG2-CE 4.19Å; L247-M382 HydrophobicContact CD2-SD 4.21Å; I251-M382 HydrophobicContact CD1-CE 4.08Å; I251-M382 HydrophobicContact CD1-SD 4.04Å; I251-M382 HydrophobicContact CG1-CE 4.29Å; V361-M382 HydrophobicContact CG1-CE 4.14Å; V361-M382 HydrophobicContact CG1-CG 4.16Å; V361-M382 HydrophobicContact CG1-SD 3.5Å; V361-M382 VanDerWaalsContact CG1-SD 3.5Å; M382-V384 HydrophobicContact CE-CG1 3.77Å; M382-V384 HydrophobicContact CG-CG1 4.46Å; M382-M409 HydrophobicContact CE-CE 3.79Å
383S95.4Very high93.6Very high19 Ų1950 Ų5013%0.13324%0.242CC..EExtended strand (participates in β ladder)trans-80.9134.4172.9-66.90000110.2D221 D345 R346 G362D221-S383 WeakPolarHBondContact OD1-CB 3.5Å; D221-S383 PolarHBondContact OD1-OG 3.18Å; D345-S383 WeakPolarHBondContact O-CB 3.19Å; R346-S383 PolarHBondContact NE-OG 3.4Å; R346-S383 VanDerWaalsContact NE-OG 3.11Å; G362-S383 WeakPolarHBondContact CA-O 3.38Å; G362-S383 PolarHBondContact N-O 3.36Å
384V97.3Very high94.1Very high0 Ų048.6 Ų48.60%023%0.234CC..EExtended strand (participates in β ladder)trans-127.9142.5171.5-60.10000110.9N219 I220 V222 L359 A360 V361 M382 L402 F405N219-V384 WeakPolarHBondContact CA-O 3.21Å; I220-V384 HydrophobicContact CD1-CG2 4.07Å; I220-V384 HydrophobicContact CG1-CG2 3.52Å; I220-V384 PolarHBondContact N-O 2.95Å; I220-V384 PolarHBondContact O-N 2.87Å; V222-V384 HydrophobicContact CG2-CG2 4.09Å; L359-V384 HydrophobicContact CD1-CB 3.91Å; L359-V384 HydrophobicContact CD1-CG2 4.21Å; L359-V384 HydrophobicContact CG-CB 4.5Å; A360-V384 CarbonylContact O-C 3.52Å; A360-V384 WeakPolarHBondContact O-CA 3.42Å; V361-V384 HydrophobicContact CG1-CG1 4.4Å; V361-V384 HydrophobicContact CG2-CG1 4.34Å; M382-V384 HydrophobicContact CE-CG1 3.77Å; M382-V384 HydrophobicContact CG-CG1 4.46Å; V384-L402 HydrophobicContact CG2-CD2 4.26Å; V384-F405 HydrophobicContact CG1-CE1 4.2Å; V384-F405 HydrophobicContact CG2-CD1 4.4Å; V384-F405 HydrophobicContact CG2-CE1 4.13Å
385T98Very high94.4Very high3 Ų341.1 Ų41.12%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-120.4115178.9-53.80000108.8Y217 L218 N219 F347 A360Y217-T385 HydrophobicContact CD1-CG2 4.49Å; L218-T385 CarbonylContact O-C 3.46Å; L218-T385 WeakPolarHBondContact O-CA 3.38Å; N219-T385 WeakPolarHBondContact OD1-CB 3.29Å; N219-T385 WeakPolarHBondContact OD1-CG2 3.33Å; N219-T385 PolarHBondContact OD1-OG1 3.49Å; F347-T385 WeakPolarHBondContact O-CB 2.8Å; F347-T385 WeakPolarHBondContact O-CG2 3.48Å; F347-T385 PolarHBondContact O-OG1 3.48Å; A360-T385 PolarHBondContact N-O 3.11Å; A360-T385 PolarHBondContact O-N 2.56Å
386L98Very high94.7Very high0 Ų037 Ų370%021%0.206CC..EExtended strand (participates in β ladder)trans-89.5119.3171.5-171.271.4000109.2Y217 L218 F334 A357 L359 C388 W401 L402Y217-L386 WeakPolarHBondContact CA-O 3.4Å; L218-L386 PolarHBondContact N-O 2.84Å; L218-L386 PolarHBondContact O-N 3.16Å; F334-L386 HydrophobicContact CE2-CD1 3.96Å; F334-L386 HydrophobicContact CZ-CD1 3.73Å; A357-L386 HydrophobicContact CB-CD1 4.21Å; L359-L386 HydrophobicContact CB-CD1 4.43Å; L359-L386 HydrophobicContact CD1-CB 4.46Å; L359-L386 HydrophobicContact CD1-CD1 4.22Å; L386-C388 WeakPolarHBondContact CD2-SG 3.44Å; L386-C388 VanDerWaalsContact CG-SG 3.54Å; L386-W401 HydrophobicContact CD1-CE3 4.16Å; L386-W401 HydrophobicContact CD1-CZ3 4.08Å; L386-W401 HydrophobicContact CD2-CD2 4.39Å; L386-W401 HydrophobicContact CD2-CE3 3.93Å; L386-L402 HydrophobicContact CB-CD1 4.08Å; L386-L402 HydrophobicContact CB-CD2 3.92Å; L386-L402 HydrophobicContact CB-CG 4.1Å; L386-L402 HydrophobicContact CD2-CG 4.13Å
387S97.7Very high95.1Very high0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-98.2122.4172-47.50000108.3Y217 A349 A357 I358Y217-S387 WeakPolarHBondContact CD1-OG 3.46Å; Y217-S387 WeakPolarHBondContact CE1-OG 3.21Å; A349-S387 WeakPolarHBondContact O-CB 3.5Å; A349-S387 PolarHBondContact O-OG 2.89Å; A357-S387 VanDerWaalsContact CA-O 3.26Å; A357-S387 WeakPolarHBondContact CA-O 3.38Å; I358-S387 PolarHBondContact N-O 2.85Å; I358-S387 PolarHBondContact O-N 3.22Å
388C97Very high95.4Very high1 Ų131.2 Ų31.21%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-120.5143.6-171-58.50000111.4H215 Y216 A356 L386 H390 I393H215-C388 CarbonylContact C-O 3.52Å; H215-C388 WeakPolarHBondContact CA-O 3.38Å; Y216-C388 PolarHBondContact N-O 3.44Å; Y216-C388 PolarHBondContact O-N 2.79Å; A356-C388 CarbonylContact O-C 3.58Å; A356-C388 WeakPolarHBondContact O-CA 3.43Å; L386-C388 WeakPolarHBondContact CD2-SG 3.44Å; L386-C388 VanDerWaalsContact CG-SG 3.54Å; C388-H390 PolarHBondContact O-N 3.06Å; C388-I393 HydrophobicContact CB-CB 3.97Å; C388-I393 HydrophobicContact CB-CD1 4.29Å; C388-I393 HydrophobicContact CB-CG2 3.93Å
389D96.7Very high95.7Very high2 Ų226.4 Ų26.41%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-75.9108.7165.1-177.5-15000108.4I213 I351 A356 R391 V392 I393I213-D389 HydrophobicContact CG2-CB 3.6Å; I213-D389 VanDerWaalsContact CG2-CG 3.42Å; I351-D389 HydrophobicContact CD1-CB 4.34Å; A356-D389 HydrophobicContact CB-CB 4.16Å; A356-D389 PolarHBondContact O-N 3.44Å; D389-R391 PolarHBondContact O-N 3.21Å; D389-R391 VanDerWaalsContact OD1-CB 3.27Å; D389-R391 WeakPolarHBondContact OD1-CB 3.49Å; D389-R391 WeakPolarHBondContact OD1-CG 3.41Å; D389-R391 IonicContact OD1-CZ 3.97Å; D389-R391 PolarHBondContact OD1-N 3.39Å; D389-R391 IonicContact OD1-NE 2.63Å; D389-R391 PolarHBondContact OD1-NE 3.46Å; D389-R391 IonicContact OD1-NH2 2.88Å; D389-R391 IonicContact OD2-CZ 2.84Å; D389-R391 IonicContact OD2-NE 3.17Å; D389-R391 PolarHBondContact OD2-NE 3.08Å; D389-R391 IonicContact OD2-NH2 2.56Å; D389-R391 PolarHBondContact OD2-NH2 2.86Å; D389-V392 PolarHBondContact O-N 3.26Å; D389-I393 PolarHBondContact O-N 3.47Å
390H96.1Very high95.9Very high86 Ų8629 Ų2940%0.39816%0.162SC..THydrogen-bonded Turntrans-68.1-7.5-174.4-151.835000114.4P214 Y216 C388 V392 I393P214-H390 HydrophobicContact CB-CB 4.34Å; P214-H390 HydrophobicContact CG-CB 4.19Å; P214-H390 VanDerWaalsContact O-CB 3.29Å; P214-H390 WeakPolarHBondContact O-CB 3.4Å; P214-H390 PolarHBondContact O-N 3.49Å; Y216-H390 AromaticContact CG-ND1 3.96Å; C388-H390 PolarHBondContact O-N 3.06Å; H390-V392 VanDerWaalsContact C-N 3.34Å; H390-I393 WeakPolarHBondContact CA-O 3.25Å; H390-I393 PolarHBondContact ND1-O 2.81Å
391R95.2Very high96.1Very high86 Ų8628 Ų2833%0.32516%0.156SC..THydrogen-bonded Turntrans-77.3-22.9171.7-57.9170.8-65.4-177.58112.6N212 P214 W269 D389N212-R391 PolarHBondContact O-NH1 2.9Å; P214-R391 HydrophobicContact CG-CG 3.65Å; W269-R391 HydrophobicContact CD2-CB 4.11Å; W269-R391 HydrophobicContact CE3-CB 3.71Å; W269-R391 HydrophobicContact CZ3-CB 3.94Å; D389-R391 PolarHBondContact O-N 3.21Å; D389-R391 VanDerWaalsContact OD1-CB 3.27Å; D389-R391 WeakPolarHBondContact OD1-CB 3.49Å; D389-R391 WeakPolarHBondContact OD1-CG 3.41Å; D389-R391 IonicContact OD1-CZ 3.97Å; D389-R391 PolarHBondContact OD1-N 3.39Å; D389-R391 IonicContact OD1-NE 2.63Å; D389-R391 PolarHBondContact OD1-NE 3.46Å; D389-R391 IonicContact OD1-NH2 2.88Å; D389-R391 IonicContact OD2-CZ 2.84Å; D389-R391 IonicContact OD2-NE 3.17Å; D389-R391 PolarHBondContact OD2-NE 3.08Å; D389-R391 IonicContact OD2-NH2 2.56Å; D389-R391 PolarHBondContact OD2-NH2 2.86Å
392V94.4Very high96.2Very high23 Ų2326.4 Ų26.414%0.13915%0.147CC..THydrogen-bonded Turntrans-112.1-41.7-177.3-177.90000111.1W269 I274 A356 D389 H390W269-V392 HydrophobicContact CB-CG2 3.74Å; W269-V392 HydrophobicContact CE3-CG2 4.04Å; I274-V392 HydrophobicContact CD1-CG2 4.37Å; I274-V392 HydrophobicContact CG1-CG2 4.38Å; I274-V392 HydrophobicContact CG2-CG1 3.88Å; I274-V392 HydrophobicContact CG2-CG2 4.44Å; A356-V392 HydrophobicContact CB-CB 3.92Å; A356-V392 HydrophobicContact CB-CG1 3.9Å; A356-V392 HydrophobicContact CB-CG2 4.23Å; D389-V392 PolarHBondContact O-N 3.26Å; H390-V392 VanDerWaalsContact C-N 3.34Å
393I95.6Very high96.3Very high0 Ų032.8 Ų32.80%018%0.177CC..  trans-117.9110-172.8-58.5167000108.7V265 A356 A357 C388 D389 H390 V397V265-I393 HydrophobicContact CB-CD1 4.12Å; V265-I393 HydrophobicContact CG1-CD1 3.9Å; V265-I393 HydrophobicContact CG2-CD1 4.07Å; V265-I393 HydrophobicContact CG2-CG1 4.28Å; V265-I393 HydrophobicContact CG2-CG2 4.21Å; A356-I393 HydrophobicContact CB-CD1 3.77Å; A356-I393 HydrophobicContact CB-CG1 4.27Å; A357-I393 HydrophobicContact CB-CD1 3.77Å; C388-I393 HydrophobicContact CB-CB 3.97Å; C388-I393 HydrophobicContact CB-CD1 4.29Å; C388-I393 HydrophobicContact CB-CG2 3.93Å; D389-I393 PolarHBondContact O-N 3.47Å; H390-I393 WeakPolarHBondContact CA-O 3.25Å; H390-I393 PolarHBondContact ND1-O 2.81Å; I393-V397 HydrophobicContact CG2-CB 4.22Å; I393-V397 HydrophobicContact CG2-CG1 4.07Å
394D93.7Very high96.3Very high80 Ų8034.8 Ų34.843%0.42818%0.184SC..  trans-76.5172.8169.971.241.7000111.9A396 V397 G398D394-A396 VanDerWaalsContact C-N 3.27Å; D394-A396 PolarHBondContact O-N 3.26Å; D394-A396 WeakPolarHBondContact OD1-CA 3.01Å; D394-A396 WeakPolarHBondContact OD1-CB 3.21Å; D394-A396 PolarHBondContact OD1-N 3.42Å; D394-V397 PolarHBondContact O-N 3.41Å; D394-V397 WeakPolarHBondContact OD1-CG2 3.43Å; D394-V397 PolarHBondContact OD1-N 3.5Å; D394-G398 PolarHBondContact O-N 3.35Å
395G92.1Very high96.3Very high21 Ų2134.8 Ų34.822%0.21618%0.184CC..Hα-helixtrans-62.9-31.2-178.700000113.8A399G395-A399 WeakPolarHBondContact O-CB 3.22Å; G395-A399 PolarHBondContact O-N 2.89Å
396A95.2Very high96.3Very high64 Ų6437.9 Ų37.953%0.52920%0.198SC..Hα-helixtrans-77.1-41.3-179.500000111.6D394 A399 R400D394-A396 VanDerWaalsContact C-N 3.27Å; D394-A396 PolarHBondContact O-N 3.26Å; D394-A396 WeakPolarHBondContact OD1-CA 3.01Å; D394-A396 WeakPolarHBondContact OD1-CB 3.21Å; D394-A396 PolarHBondContact OD1-N 3.42Å; A396-A399 PolarHBondContact O-N 2.97Å; A396-R400 WeakPolarHBondContact O-CB 3.15Å; A396-R400 PolarHBondContact O-N 3.01Å
397V96.3Very high96.2Very high13 Ų1343.4 Ų43.48%0.07922%0.222CC..Hα-helixtrans-63.3-48.3175174.10000110.3V262 E264 V265 I393 D394 A399 R400 W401V262-V397 HydrophobicContact CG1-CG1 3.9Å; E264-V397 HydrophobicContact CB-CG1 3.61Å; E264-V397 HydrophobicContact CG-CG1 4.5Å; V265-V397 HydrophobicContact CG2-CG1 3.8Å; I393-V397 HydrophobicContact CG2-CB 4.22Å; I393-V397 HydrophobicContact CG2-CG1 4.07Å; D394-V397 PolarHBondContact O-N 3.41Å; D394-V397 WeakPolarHBondContact OD1-CG2 3.43Å; D394-V397 PolarHBondContact OD1-N 3.5Å; V397-A399 VanDerWaalsContact C-N 3.33Å; V397-A399 PolarHBondContact O-N 3.2Å; V397-R400 WeakPolarHBondContact O-CB 3.46Å; V397-R400 PolarHBondContact O-N 3.27Å; V397-W401 PolarHBondContact O-N 2.97Å
398G96.5Very high96.1Very high0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-61.6-40.5176.100000112.5D394 W401 L402D394-G398 PolarHBondContact O-N 3.35Å; G398-W401 PolarHBondContact O-N 3.21Å; G398-L402 PolarHBondContact O-N 3.12Å
399A96.9Very high96Very high48 Ų4844.3 Ų44.340%0.39723%0.226SC..Hα-helixtrans-66-38.3175.900000112.3G395 A396 V397 L402 Q403G395-A399 WeakPolarHBondContact O-CB 3.22Å; G395-A399 PolarHBondContact O-N 2.89Å; A396-A399 PolarHBondContact O-N 2.97Å; V397-A399 VanDerWaalsContact C-N 3.33Å; V397-A399 PolarHBondContact O-N 3.2Å; A399-L402 PolarHBondContact O-N 3.1Å; A399-Q403 WeakPolarHBondContact O-CB 3.27Å; A399-Q403 PolarHBondContact O-N 3.41Å
400R97.4Very high95.9Very high103 Ų10347.1 Ų47.139%0.38924%0.239SC..Hα-helixtrans-62.6-43.7174.9-165.7-170-57.4147.74110.9V262 E264 A396 V397 Q403 H404V262-R400 HydrophobicContact CG2-CB 4.3Å; V262-R400 HydrophobicContact CG2-CG 3.92Å; E264-R400 IonicContact OE1-NH1 3.07Å; E264-R400 PolarHBondContact OE1-NH1 2.72Å; A396-R400 WeakPolarHBondContact O-CB 3.15Å; A396-R400 PolarHBondContact O-N 3.01Å; V397-R400 WeakPolarHBondContact O-CB 3.46Å; V397-R400 PolarHBondContact O-N 3.27Å; R400-Q403 WeakPolarHBondContact O-CB 3.5Å; R400-Q403 PolarHBondContact O-N 2.93Å; R400-H404 PolarHBondContact O-CD2 2.74Å; R400-H404 VanDerWaalsContact O-CD2 3.27Å; R400-H404 PolarHBondContact O-N 2.82Å
401W98.2Very high95.8Very high0 Ų049.4 Ų49.40%025%0.248CC..Hα-helixtrans-60.9-47.2175.6-173.699.4000111.4A258 C259 V262 V265 F334 L359 L386 V397 G398 Q403 H404 F405A258-W401 HydrophobicContact CB-CD2 4.05Å; A258-W401 HydrophobicContact CB-CG 4.36Å; A258-W401 HydrophobicContact CB-CH2 4.49Å; A258-W401 HydrophobicContact CB-CZ2 3.82Å; C259-W401 PolarHBondContact SG-NE1 3.1Å; V262-W401 HydrophobicContact CB-CB 4.27Å; V262-W401 HydrophobicContact CG1-CB 4.46Å; V262-W401 HydrophobicContact CG2-CB 4.35Å; V265-W401 HydrophobicContact CB-CB 4.43Å; V265-W401 HydrophobicContact CB-CG 4.13Å; V265-W401 HydrophobicContact CG1-CD2 4.48Å; V265-W401 HydrophobicContact CG1-CG 4.02Å; V265-W401 HydrophobicContact CG2-CB 3.67Å; V265-W401 HydrophobicContact CG2-CG 3.89Å; F334-W401 HydrophobicContact CE1-CH2 4.04Å; F334-W401 AromaticContact CE1-CZ2 3.84Å; F334-W401 HydrophobicContact CE1-CZ2 3.84Å; F334-W401 HydrophobicContact CE2-CH2 4.4Å; F334-W401 AromaticContact CE2-CZ2 3.86Å; F334-W401 HydrophobicContact CE2-CZ2 3.86Å; F334-W401 AromaticContact CZ-CH2 3.56Å; F334-W401 HydrophobicContact CZ-CH2 3.56Å; F334-W401 AromaticContact CZ-CZ2 3.35Å; F334-W401 HydrophobicContact CZ-CZ2 3.35Å; F334-W401 HydrophobicContact CZ-CZ3 4.34Å; L359-W401 HydrophobicContact CD1-CH2 4.27Å; L359-W401 HydrophobicContact CD1-CZ3 3.95Å; L359-W401 HydrophobicContact CD2-CH2 4.2Å; L386-W401 HydrophobicContact CD1-CE3 4.16Å; L386-W401 HydrophobicContact CD1-CZ3 4.08Å; L386-W401 HydrophobicContact CD2-CD2 4.39Å; L386-W401 HydrophobicContact CD2-CE3 3.93Å; V397-W401 PolarHBondContact O-N 2.97Å; G398-W401 PolarHBondContact O-N 3.21Å; W401-Q403 VanDerWaalsContact C-N 3.28Å; W401-Q403 PolarHBondContact O-N 2.82Å; W401-H404 PolarHBondContact O-N 2.87Å; W401-H404 VanDerWaalsContact O-N 3.15Å; W401-F405 HydrophobicContact CE3-CB 3.98Å; W401-F405 HydrophobicContact CH2-CB 4.05Å; W401-F405 AromaticContact CH2-CD2 3.67Å; W401-F405 HydrophobicContact CH2-CD2 3.67Å; W401-F405 HydrophobicContact CH2-CE2 4.36Å; W401-F405 AromaticContact CH2-CG 3.94Å; W401-F405 HydrophobicContact CH2-CG 3.94Å; W401-F405 HydrophobicContact CZ2-CD2 4.45Å; W401-F405 HydrophobicContact CZ3-CB 3.65Å; W401-F405 HydrophobicContact CZ3-CD1 4.42Å; W401-F405 HydrophobicContact CZ3-CD2 4.02Å; W401-F405 AromaticContact CZ3-CG 3.77Å; W401-F405 HydrophobicContact CZ3-CG 3.77Å; W401-F405 WeakPolarHBondContact O-CB 3.17Å; W401-F405 PolarHBondContact O-N 2.72Å
402L97.9Very high95.5Very high4 Ų446 Ų462%0.02124%0.237CC..Hα-helixtrans-61.1-35.7176.1-78.7177.6000112.5L218 I220 L359 V384 L386 G398 A399 K406L218-L402 HydrophobicContact CB-CD1 3.43Å; L218-L402 VanDerWaalsContact CB-CD1 3.43Å; L218-L402 HydrophobicContact CD1-CD1 4.33Å; I220-L402 HydrophobicContact CD1-CB 3.89Å; I220-L402 HydrophobicContact CD1-CD2 3.9Å; I220-L402 HydrophobicContact CD1-CG 4.39Å; I220-L402 WeakPolarHBondContact CD1-O 3.37Å; I220-L402 HydrophobicContact CG1-CB 4.33Å; I220-L402 HydrophobicContact CG1-CD1 4.33Å; I220-L402 HydrophobicContact CG1-CD2 3.88Å; I220-L402 HydrophobicContact CG1-CG 4.42Å; I220-L402 HydrophobicContact CG2-CB 4.39Å; I220-L402 HydrophobicContact CG2-CD1 4.15Å; L359-L402 HydrophobicContact CD1-CD2 4.42Å; V384-L402 HydrophobicContact CG2-CD2 4.26Å; L386-L402 HydrophobicContact CB-CD1 4.08Å; L386-L402 HydrophobicContact CB-CD2 3.92Å; L386-L402 HydrophobicContact CB-CG 4.1Å; L386-L402 HydrophobicContact CD2-CG 4.13Å; G398-L402 PolarHBondContact O-N 3.12Å; A399-L402 PolarHBondContact O-N 3.1Å; L402-K406 WeakPolarHBondContact O-CB 3.44Å; L402-K406 PolarHBondContact O-N 2.97Å
403Q96.8Very high95.1Very high136 Ų13648.3 Ų48.364%0.63626%0.259SS*.Hα-helixtrans-64-44.4174.1-175.1-175.635.500111.8A399 R400 W401 K407A399-Q403 WeakPolarHBondContact O-CB 3.27Å; A399-Q403 PolarHBondContact O-N 3.41Å; R400-Q403 WeakPolarHBondContact O-CB 3.5Å; R400-Q403 PolarHBondContact O-N 2.93Å; W401-Q403 VanDerWaalsContact C-N 3.28Å; W401-Q403 PolarHBondContact O-N 2.82Å; Q403-K407 WeakPolarHBondContact O-CB 3.43Å; Q403-K407 PolarHBondContact O-N 2.97Å
404H96.4Very high94.7Very high61 Ų6149.9 Ų49.928%0.28227%0.268SS..Hα-helixtrans-65.3-46.5175.1-82.7-81.7000111.7A258 A261 R400 W401 K406 K407 L408A258-H404 HydrophobicContact CB-CB 4.32Å; A261-H404 HydrophobicContact CB-CB 4.3Å; R400-H404 PolarHBondContact O-CD2 2.74Å; R400-H404 VanDerWaalsContact O-CD2 3.27Å; R400-H404 PolarHBondContact O-N 2.82Å; W401-H404 PolarHBondContact O-N 2.87Å; W401-H404 VanDerWaalsContact O-N 3.15Å; H404-K406 PolarHBondContact O-N 3.02Å; H404-K407 PolarHBondContact O-N 3.14Å; H404-L408 VanDerWaalsContact O-CG 3.29Å; H404-L408 WeakPolarHBondContact O-CG 3.43Å; H404-L408 PolarHBondContact O-N 2.71Å
405F97.2Very high94.3Very high0 Ų047.1 Ų47.10%025%0.253CS..Hα-helixtrans-56.3-49.4175.1179.5-96.8000111.4V222 I251 A254 S255 A258 L359 V384 W401 K407 L408 M409V222-F405 HydrophobicContact CG2-CE1 4.39Å; I251-F405 HydrophobicContact CG2-CE2 4.27Å; I251-F405 HydrophobicContact CG2-CZ 4.16Å; A254-F405 HydrophobicContact CB-CD2 3.96Å; A254-F405 HydrophobicContact CB-CE2 3.75Å; S255-F405 WeakPolarHBondContact OG-CE2 3.44Å; A258-F405 HydrophobicContact CB-CB 4.08Å; L359-F405 HydrophobicContact CD2-CE1 4.22Å; L359-F405 HydrophobicContact CD2-CE2 3.85Å; L359-F405 HydrophobicContact CD2-CZ 3.68Å; V384-F405 HydrophobicContact CG1-CE1 4.2Å; V384-F405 HydrophobicContact CG2-CD1 4.4Å; V384-F405 HydrophobicContact CG2-CE1 4.13Å; W401-F405 HydrophobicContact CE3-CB 3.98Å; W401-F405 HydrophobicContact CH2-CB 4.05Å; W401-F405 AromaticContact CH2-CD2 3.67Å; W401-F405 HydrophobicContact CH2-CD2 3.67Å; W401-F405 HydrophobicContact CH2-CE2 4.36Å; W401-F405 AromaticContact CH2-CG 3.94Å; W401-F405 HydrophobicContact CH2-CG 3.94Å; W401-F405 HydrophobicContact CZ2-CD2 4.45Å; W401-F405 HydrophobicContact CZ3-CB 3.65Å; W401-F405 HydrophobicContact CZ3-CD1 4.42Å; W401-F405 HydrophobicContact CZ3-CD2 4.02Å; W401-F405 AromaticContact CZ3-CG 3.77Å; W401-F405 HydrophobicContact CZ3-CG 3.77Å; W401-F405 WeakPolarHBondContact O-CB 3.17Å; W401-F405 PolarHBondContact O-N 2.72Å; F405-K407 PolarHBondContact O-N 3.05Å; F405-L408 PolarHBondContact O-N 2.85Å; F405-M409 HydrophobicContact CD1-CG 4.13Å; F405-M409 HydrophobicContact CD2-CG 4.44Å; F405-M409 HydrophobicContact CE1-CG 3.73Å; F405-M409 HydrophobicContact CE2-CG 4.08Å; F405-M409 HydrophobicContact CE2-SD 4.32Å; F405-M409 HydrophobicContact CG-CG 4.46Å; F405-M409 HydrophobicContact CZ-CE 4.46Å; F405-M409 HydrophobicContact CZ-CG 3.7Å; F405-M409 HydrophobicContact CZ-SD 4.06Å; F405-M409 WeakPolarHBondContact O-CB 3.3Å; F405-M409 VanDerWaalsContact O-CG 3.26Å; F405-M409 WeakPolarHBondContact O-CG 3.5Å; F405-M409 PolarHBondContact O-N 3.33Å
406K96.8Very high93.6Very high68 Ų6853.5 Ų53.530%0.29628%0.282SS..Hα-helixtrans-57.8-46.5176.1-177168.5-178.3157.40112.1I220 D221 V222 L402 H404 L408 M409 E410I220-K406 HydrophobicContact CD1-CB 3.8Å; I220-K406 HydrophobicContact CD1-CD 4.23Å; I220-K406 HydrophobicContact CD1-CG 4.43Å; D221-K406 WeakPolarHBondContact O-CE 3.3Å; D221-K406 PolarHBondContact O-NZ 2.85Å; V222-K406 HydrophobicContact CG2-CB 4.42Å; V222-K406 HydrophobicContact CG2-CG 4.33Å; L402-K406 WeakPolarHBondContact O-CB 3.44Å; L402-K406 PolarHBondContact O-N 2.97Å; H404-K406 PolarHBondContact O-N 3.02Å; K406-L408 VanDerWaalsContact C-N 3.34Å; K406-L408 PolarHBondContact O-N 2.83Å; K406-M409 PolarHBondContact O-N 2.82Å; K406-E410 VanDerWaalsContact CE-CD 3.41Å; K406-E410 WeakPolarHBondContact CE-OE1 2.98Å; K406-E410 HydrophobicContact CG-CG 4.17Å; K406-E410 IonicContact NZ-OE1 3.99Å; K406-E410 WeakPolarHBondContact O-CB 3.38Å; K406-E410 WeakPolarHBondContact O-CG 3.37Å; K406-E410 PolarHBondContact O-N 2.69Å
407K95.9Very high92.4Very high116 Ų11659.9 Ų59.950%0.50431%0.306SS..Hα-helixtrans-59.7-44.5178.2-179.9-175.2174.8-172.20111.7Q403 H404 F405 M409 K411Q403-K407 WeakPolarHBondContact O-CB 3.43Å; Q403-K407 PolarHBondContact O-N 2.97Å; H404-K407 PolarHBondContact O-N 3.14Å; F405-K407 PolarHBondContact O-N 3.05Å; K407-M409 VanDerWaalsContact C-N 3.32Å; K407-K411 WeakPolarHBondContact O-CB 3.45Å; K407-K411 PolarHBondContact O-N 3.17Å
408L95.3Very high92.2Very high20 Ų2062.2 Ų62.211%0.10532%0.317CS..Hα-helixtrans-64.2-41.4178.1-68166.1000110.5A254 L257 A258 H404 F405 K406 K411 P412 M415A254-L408 HydrophobicContact CB-CB 4.31Å; A254-L408 WeakPolarHBondContact O-CD1 3.43Å; L257-L408 HydrophobicContact CB-CD1 3.68Å; L257-L408 HydrophobicContact CD1-CD2 4.3Å; A258-L408 HydrophobicContact CB-CD1 4.31Å; H404-L408 VanDerWaalsContact O-CG 3.29Å; H404-L408 WeakPolarHBondContact O-CG 3.43Å; H404-L408 PolarHBondContact O-N 2.71Å; F405-L408 PolarHBondContact O-N 2.85Å; K406-L408 VanDerWaalsContact C-N 3.34Å; K406-L408 PolarHBondContact O-N 2.83Å; L408-K411 CarbonylContact O-C 3.55Å; L408-K411 VanDerWaalsContact O-C 3.25Å; L408-P412 VanDerWaalsContact O-CA 3.3Å; L408-P412 WeakPolarHBondContact O-CA 3.16Å; L408-M415 HydrophobicContact CB-CE 3.98Å; L408-M415 HydrophobicContact CB-CG 4.31Å; L408-M415 HydrophobicContact CD2-CG 3.98Å; L408-M415 VanDerWaalsContact O-CE 3.22Å; L408-M415 WeakPolarHBondContact O-CE 3.47Å
409M95.1Very high92Very high0 Ų065.5 Ų65.50%033%0.334CS..Hα-helixtrans-71.4-41.5-179.2-67.9-65.2-71.200113.5V222 I224 I227 L247 I250 I251 A254 M382 F405 K406 K407 K411 M415V222-M409 HydrophobicContact CG1-CB 3.4Å; V222-M409 VanDerWaalsContact CG1-CB 3.4Å; V222-M409 HydrophobicContact CG1-CG 4.22Å; I224-M409 HydrophobicContact CG2-CE 4.31Å; I227-M409 VanDerWaalsContact CD1-CA 3.48Å; I227-M409 HydrophobicContact CD1-CB 3.89Å; I227-M409 HydrophobicContact CD1-CE 3.34Å; I227-M409 HydrophobicContact CD1-CG 4.24Å; I227-M409 WeakPolarHBondContact CD1-O 3.38Å; I227-M409 HydrophobicContact CD1-SD 3.38Å; I227-M409 WeakPolarHBondContact CD1-SD 3.29Å; I227-M409 WeakPolarHBondContact CG1-O 3.31Å; L247-M409 HydrophobicContact CD1-CE 4.46Å; I250-M409 HydrophobicContact CG2-SD 4.26Å; I251-M409 HydrophobicContact CG1-CE 3.69Å; I251-M409 HydrophobicContact CG1-SD 4.36Å; A254-M409 HydrophobicContact CB-CG 4.11Å; A254-M409 HydrophobicContact CB-SD 3.58Å; A254-M409 VanDerWaalsContact CB-SD 3.58Å; M382-M409 HydrophobicContact CE-CE 3.79Å; F405-M409 HydrophobicContact CD1-CG 4.13Å; F405-M409 HydrophobicContact CD2-CG 4.44Å; F405-M409 HydrophobicContact CE1-CG 3.73Å; F405-M409 HydrophobicContact CE2-CG 4.08Å; F405-M409 HydrophobicContact CE2-SD 4.32Å; F405-M409 HydrophobicContact CG-CG 4.46Å; F405-M409 HydrophobicContact CZ-CE 4.46Å; F405-M409 HydrophobicContact CZ-CG 3.7Å; F405-M409 HydrophobicContact CZ-SD 4.06Å; F405-M409 WeakPolarHBondContact O-CB 3.3Å; F405-M409 VanDerWaalsContact O-CG 3.26Å; F405-M409 WeakPolarHBondContact O-CG 3.5Å; F405-M409 PolarHBondContact O-N 3.33Å; K406-M409 PolarHBondContact O-N 2.82Å; K407-M409 VanDerWaalsContact C-N 3.32Å; M409-K411 VanDerWaalsContact C-N 3.32Å; M409-M415 HydrophobicContact SD-CE 4.23Å
410E94.8Very high91.7Very high60 Ų6066.4 Ų66.428%0.2833%0.33SS..Hα-helixtrans-75.2-23.8178-68.2-176.4160.600112.5V222 E223 K406V222-E410 HydrophobicContact CG1-CG 4.29Å; E223-E410 HydrophobicContact CB-CG 4.13Å; E223-E410 PolarHBondContact N-OE1 2.78Å; E223-E410 WeakPolarHBondContact O-CG 3.35Å; K406-E410 VanDerWaalsContact CE-CD 3.41Å; K406-E410 WeakPolarHBondContact CE-OE1 2.98Å; K406-E410 HydrophobicContact CG-CG 4.17Å; K406-E410 IonicContact NZ-OE1 3.99Å; K406-E410 WeakPolarHBondContact O-CB 3.38Å; K406-E410 WeakPolarHBondContact O-CG 3.37Å; K406-E410 PolarHBondContact O-N 2.69Å
411K93.1Very high91.3Very high134 Ų13464.3 Ų64.358%0.58333%0.327SS*.  trans-13173.5180-60.6-176.5-177.6-178.50110.3K407 L408 M409 A413 T414K407-K411 WeakPolarHBondContact O-CB 3.45Å; K407-K411 PolarHBondContact O-N 3.17Å; L408-K411 CarbonylContact O-C 3.55Å; L408-K411 VanDerWaalsContact O-C 3.25Å; M409-K411 VanDerWaalsContact C-N 3.32Å; K411-A413 PolarHBondContact O-N 2.8Å; K411-A413 VanDerWaalsContact O-N 3.08Å; K411-T414 HydrophobicContact CB-CG2 3.98Å; K411-T414 WeakPolarHBondContact O-CB 3.4Å; K411-T414 PolarHBondContact O-N 2.83Å; K411-T414 PolarHBondContact O-OG1 2.9Å
412P88.9Confident90.9Very high14 Ų1468.3 Ų68.39%0.09135%0.347CS..G310 helixtrans-63-23.1-172.125.8-35.9000113.8E226 I227 L230 L408 T414 M415E226-P412 HydrophobicContact CB-CG 4.4Å; I227-P412 HydrophobicContact CG1-CB 3.87Å; I227-P412 HydrophobicContact CG1-CG 3.95Å; L230-P412 HydrophobicContact CB-CG 4.35Å; L230-P412 HydrophobicContact CD2-CB 3.53Å; L230-P412 HydrophobicContact CD2-CG 3.7Å; L408-P412 VanDerWaalsContact O-CA 3.3Å; L408-P412 WeakPolarHBondContact O-CA 3.16Å; P412-T414 PolarHBondContact O-N 3.27Å; P412-T414 VanDerWaalsContact O-N 3.12Å; P412-M415 HydrophobicContact CB-CE 4.49Å; P412-M415 WeakPolarHBondContact O-CB 3.22Å; P412-M415 WeakPolarHBondContact O-CG 3.35Å; P412-M415 PolarHBondContact O-N 2.85Å
413A87.8Confident90.5Very high72 Ų7272.6 Ų72.660%0.59537%0.369SS*.G310 helixtrans-57.7-24.4171.600000113.4K411 M415 L416K411-A413 PolarHBondContact O-N 2.8Å; K411-A413 VanDerWaalsContact O-N 3.08Å; A413-M415 PolarHBondContact O-N 2.96Å; A413-L416 WeakPolarHBondContact O-CB 3.36Å; A413-L416 PolarHBondContact O-N 3.24Å
414T86.1Confident90Very high33 Ų3368.1 Ų68.120%0.20235%0.35CS..G310 helixtrans-72.5-12.8175.9620000113.7K411 P412 L416K411-T414 HydrophobicContact CB-CG2 3.98Å; K411-T414 WeakPolarHBondContact O-CB 3.4Å; K411-T414 PolarHBondContact O-N 2.83Å; K411-T414 PolarHBondContact O-OG1 2.9Å; P412-T414 PolarHBondContact O-N 3.27Å; P412-T414 VanDerWaalsContact O-N 3.12Å; T414-L416 PolarHBondContact O-N 2.92Å
415M85.4Confident89.5Confident22 Ų2268.6 Ų68.611%0.10836%0.355CS..G310 helixtrans-75.6-10.1172.5-57-174.5-166.700113.1I227 I250 K253 A254 L257 L408 M409 P412 A413I227-M415 HydrophobicContact CD1-CE 4.46Å; I250-M415 HydrophobicContact CG2-CE 3.82Å; I250-M415 HydrophobicContact CG2-SD 4.32Å; K253-M415 HydrophobicContact CG-SD 4.35Å; A254-M415 HydrophobicContact CB-CE 3.63Å; A254-M415 HydrophobicContact CB-SD 4.5Å; L257-M415 HydrophobicContact CD1-CB 3.82Å; L257-M415 HydrophobicContact CD1-CG 4.01Å; L408-M415 HydrophobicContact CB-CE 3.98Å; L408-M415 HydrophobicContact CB-CG 4.31Å; L408-M415 HydrophobicContact CD2-CG 3.98Å; L408-M415 VanDerWaalsContact O-CE 3.22Å; L408-M415 WeakPolarHBondContact O-CE 3.47Å; M409-M415 HydrophobicContact SD-CE 4.23Å; P412-M415 HydrophobicContact CB-CE 4.49Å; P412-M415 WeakPolarHBondContact O-CB 3.22Å; P412-M415 WeakPolarHBondContact O-CG 3.35Å; P412-M415 PolarHBondContact O-N 2.85Å; A413-M415 PolarHBondContact O-N 2.96Å
416L77.9Confident88.9Confident156 Ų15674.3 Ų74.382%0.81738%0.384SS*.G310 helixtrans-90.4-14.5178-62.2173.3000113.2A413 T414A413-L416 WeakPolarHBondContact O-CB 3.36Å; A413-L416 PolarHBondContact O-N 3.24Å; T414-L416 PolarHBondContact O-N 2.92Å
417L69.2Low88.1Confident197 Ų19774.9 Ų74.9100%1.03139%0.392SS*.  trans-81.80174.1-62.7175.6000109.3

Retrieved 417 of 417 residues in 265.5 ms (Link to these results)

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