A0A3B3VV52_9TELE Loading...

Integrator complex subunit 14

AlphaFold DB , UniProt , Accession A0A3B3VV52, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 512 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
1M84Confident95.6Very high38 Ų3813.8 Ų13.819%0.1877%0.072CC..  089.90164.1170.575.900105P108 Q110M1-P108 CarbonylContact C-O 3.51Å; M1-P108 WeakPolarHBondContact CA-O 3.43Å; M1-P108 HydrophobicContact CB-CB 4.24Å; M1-P108 WeakPolarHBondContact CB-O 3.25Å; M1-P108 HydrophobicContact CG-CB 4Å; M1-P108 VanDerWaalsContact CG-O 3.28Å; M1-P108 WeakPolarHBondContact CG-O 3.4Å; M1-P108 HydrophobicContact SD-CB 4.03Å; M1-Q110 VanDerWaalsContact CE-CD 3.5Å; M1-Q110 HydrophobicContact CE-CG 3.73Å; M1-Q110 HydrophobicContact CG-CG 3.81Å; M1-Q110 HydrophobicContact SD-CG 3.85Å
2P94Very high95.5Very high5 Ų514.3 Ų14.33%0.0328%0.078CC..  trans-60.2165.2-174.927-39.1000113.3F50 F66 W103 C107 P108 C109 Q110P2-F50 CarbonylContact C-O 3.56Å; P2-F50 WeakPolarHBondContact CA-O 3.34Å; P2-F50 HydrophobicContact CB-CB 4.18Å; P2-F50 WeakPolarHBondContact CB-O 3.47Å; P2-F66 HydrophobicContact CB-CD1 4.03Å; P2-F66 HydrophobicContact CB-CE1 3.64Å; P2-F66 HydrophobicContact CB-CZ 4.3Å; P2-F66 HydrophobicContact CG-CE1 4.39Å; P2-W103 HydrophobicContact CB-CZ2 4.41Å; P2-W103 HydrophobicContact CG-CD2 4.12Å; P2-W103 HydrophobicContact CG-CG 3.99Å; P2-C107 VanDerWaalsContact CD-SG 3.56Å; P2-P108 VanDerWaalsContact CD-O 3.25Å; P2-P108 WeakPolarHBondContact CD-O 3.32Å; P2-C109 HydrophobicContact CG-CB 4.48Å; P2-C109 CarbonylContact O-C 3.57Å; P2-C109 WeakPolarHBondContact O-CA 3.32Å; P2-C109 PolarHBondContact O-SG 3.36Å; P2-C109 VanDerWaalsContact O-SG 3.35Å; P2-Q110 PolarHBondContact O-N 2.92Å
3T97.6Very high95.4Very high0 Ų013.2 Ų13.20%07%0.072CC..EExtended strand (participates in β ladder)trans-118134.8178.9-68.20000111.3V5 E49 F50 T51 A52 F66 Q110 V112 Y209T3-V5 HydrophobicContact CG2-CG2 4.24Å; T3-E49 PolarHBondContact N-OE1 3.41Å; T3-E49 PolarHBondContact OG1-OE1 3.42Å; T3-F50 PolarHBondContact N-O 3.42Å; T3-T51 HydrophobicContact CG2-CG2 4.19Å; T3-T51 CarbonylContact O-C 3.59Å; T3-T51 VanDerWaalsContact O-CA 3.24Å; T3-T51 WeakPolarHBondContact O-CA 3.45Å; T3-A52 PolarHBondContact O-N 2.98Å; T3-F66 WeakPolarHBondContact O-CE1 3.27Å; T3-Q110 CarbonylContact C-O 3.55Å; T3-Q110 WeakPolarHBondContact CA-O 3.3Å; T3-V112 HydrophobicContact CG2-CG2 3.98Å; T3-Y209 WeakPolarHBondContact CG2-OH 3.48Å; T3-Y209 WeakPolarHBondContact OG1-CE1 3.27Å; T3-Y209 PolarHBondContact OG1-OH 2.9Å
4V98.4Very high95.3Very high0 Ų014.7 Ų14.70%08%0.082CC..EExtended strand (participates in β ladder)trans-112.5115.8167.5-177.80000108.6M54 F66 V95 V99 Q110 V111 V112V4-M54 HydrophobicContact CG1-CG 4.11Å; V4-M54 HydrophobicContact CG1-SD 3.65Å; V4-F66 HydrophobicContact CG2-CE1 3.79Å; V4-F66 HydrophobicContact CG2-CZ 3.46Å; V4-F66 VanDerWaalsContact CG2-CZ 3.46Å; V4-V95 HydrophobicContact CB-CG1 4.39Å; V4-V95 HydrophobicContact CG1-CG1 4.29Å; V4-V95 HydrophobicContact CG1-CG2 4.05Å; V4-V95 HydrophobicContact CG2-CG1 4.46Å; V4-V99 HydrophobicContact CG2-CG2 3.77Å; V4-Q110 PolarHBondContact N-O 3.5Å; V4-V111 WeakPolarHBondContact O-CA 3.28Å; V4-V112 PolarHBondContact O-N 2.87Å
5V98.6Very high95Very high0 Ų019.5 Ų19.50%010%0.098CC..EExtended strand (participates in β ladder)trans-86.9124.7170.1176.90000108.5T3 L35 F39 T51 A52 L53 M54 V112T3-V5 HydrophobicContact CG2-CG2 4.24Å; V5-L35 HydrophobicContact CG1-CD1 3.97Å; V5-L35 HydrophobicContact CG1-CD2 3.48Å; V5-L35 VanDerWaalsContact CG1-CD2 3.48Å; V5-L35 HydrophobicContact CG1-CG 4.4Å; V5-L35 HydrophobicContact CG2-CD2 4.3Å; V5-F39 HydrophobicContact CB-CZ 4.47Å; V5-F39 HydrophobicContact CG2-CE1 3.82Å; V5-F39 HydrophobicContact CG2-CZ 3.96Å; V5-T51 HydrophobicContact CG2-CG2 4.06Å; V5-A52 PolarHBondContact N-O 3.29Å; V5-L53 HydrophobicContact CB-CD1 3.97Å; V5-L53 HydrophobicContact CG1-CD1 3.68Å; V5-M54 PolarHBondContact O-N 3.42Å; V5-V112 WeakPolarHBondContact CA-O 3.26Å; V5-V112 HydrophobicContact CG2-CB 4.35Å
6L97.8Very high94.7Very high0 Ų022.8 Ų22.80%012%0.121CC..EExtended strand (participates in β ladder)trans-114.3104.7176.3-175.762.1000109.5M54 F56 L88 A91 V95 V112 L113 V114L6-M54 WeakPolarHBondContact CA-O 2.96Å; L6-M54 HydrophobicContact CD1-CB 3.72Å; L6-F56 HydrophobicContact CD1-CB 4.22Å; L6-F56 HydrophobicContact CD1-CD1 3.51Å; L6-F56 HydrophobicContact CD1-CE1 4.23Å; L6-F56 HydrophobicContact CD1-CG 4.11Å; L6-F56 HydrophobicContact CD2-CD1 4.15Å; L6-F56 HydrophobicContact CD2-CE1 4.18Å; L6-F56 HydrophobicContact CG-CD1 3.52Å; L6-F56 HydrophobicContact CG-CE1 3.7Å; L6-F56 HydrophobicContact CG-CG 4.39Å; L6-L88 HydrophobicContact CD2-CD1 4.09Å; L6-A91 HydrophobicContact CD1-CB 4Å; L6-A91 HydrophobicContact CD2-CB 3.8Å; L6-A91 HydrophobicContact CG-CB 4.45Å; L6-V95 HydrophobicContact CD2-CG2 4.22Å; L6-V112 PolarHBondContact N-O 3.15Å; L6-L113 HydrophobicContact CB-CD1 4.37Å; L6-L113 HydrophobicContact CD2-CD1 3.99Å; L6-L113 HydrophobicContact CG-CD1 4.11Å; L6-L113 WeakPolarHBondContact O-CA 3.13Å; L6-V114 PolarHBondContact O-N 2.93Å
7M97.8Very high94.2Very high0 Ų023.2 Ų23.20%013%0.125CC..EExtended strand (participates in β ladder)trans-99.2122.1-175.2178.157.9-173.800111.2V9 M13 K28 A31 L35 L53 M54 A55 F56 L80 V114M7-V9 HydrophobicContact CG-CG1 4.22Å; M7-V9 PolarHBondContact O-N 3.43Å; M7-M13 HydrophobicContact CE-CE 3.82Å; M7-K28 HydrophobicContact CE-CG 4Å; M7-A31 HydrophobicContact CE-CB 3.37Å; M7-A31 HydrophobicContact SD-CB 3.82Å; M7-L35 HydrophobicContact CB-CD1 4.44Å; M7-L35 HydrophobicContact CG-CD1 4.4Å; M7-L35 HydrophobicContact SD-CD1 3.94Å; M7-L53 HydrophobicContact CB-CD1 4.39Å; M7-M54 PolarHBondContact N-O 3.18Å; M7-A55 VanDerWaalsContact O-CA 3.31Å; M7-A55 WeakPolarHBondContact O-CA 3.47Å; M7-F56 VanDerWaalsContact O-CD1 3.28Å; M7-F56 WeakPolarHBondContact O-CD1 3.38Å; M7-F56 PolarHBondContact O-N 3.13Å; M7-L80 HydrophobicContact CE-CD1 4.42Å; M7-L80 HydrophobicContact CG-CD1 3.97Å; M7-V114 HydrophobicContact SD-CB 4Å; M7-V114 HydrophobicContact SD-CG1 4.02Å
8D97.3Very high93.1Very high0 Ų025.5 Ų25.50%014%0.143CC..EExtended strand (participates in β ladder)trans-71.9124.7172.2-165.7-25.1000109.8S10 M13 F56 V114 T115D8-S10 WeakPolarHBondContact OD1-CB 3.5Å; D8-S10 PolarHBondContact OD1-N 3.22Å; D8-S10 PolarHBondContact OD1-OG 2.83Å; D8-M13 HydrophobicContact CB-CE 4.39Å; D8-M13 HydrophobicContact CB-CG 3.96Å; D8-M13 HydrophobicContact CB-SD 4.15Å; D8-M13 WeakPolarHBondContact O-CG 3.1Å; D8-F56 VanDerWaalsContact CA-CE1 3.43Å; D8-F56 HydrophobicContact CB-CE1 3.68Å; D8-F56 HydrophobicContact CB-CZ 3.75Å; D8-V114 VanDerWaalsContact CB-O 3.28Å; D8-V114 WeakPolarHBondContact CB-O 3.41Å; D8-V114 PolarHBondContact N-O 3.4Å; D8-T115 PolarHBondContact OD2-OG1 3.25Å
9V96.6Very high91.5Very high2 Ų232.6 Ų32.61%0.01218%0.18CC..  trans-121.719.5178.2-67.60000111.6M7 A55 F56 L80 Y83M7-V9 HydrophobicContact CG-CG1 4.22Å; M7-V9 PolarHBondContact O-N 3.43Å; V9-A55 HydrophobicContact CG1-CB 4.04Å; V9-A55 HydrophobicContact CG2-CB 3.96Å; V9-F56 VanDerWaalsContact CG2-O 3.26Å; V9-F56 WeakPolarHBondContact CG2-O 3.25Å; V9-F56 PolarHBondContact N-O 3.3Å; V9-L80 HydrophobicContact CG1-CB 4.47Å; V9-L80 HydrophobicContact CG1-CD1 4.28Å; V9-L80 HydrophobicContact CG1-CD2 4.18Å; V9-Y83 HydrophobicContact CB-CD2 4.01Å; V9-Y83 HydrophobicContact CG2-CD2 3.48Å; V9-Y83 VanDerWaalsContact CG2-CD2 3.48Å; V9-Y83 HydrophobicContact CG2-CE2 4.05Å; V9-Y83 HydrophobicContact CG2-CG 4.5Å; V9-Y83 PolarHBondContact O-N 3.49Å
10S95.4Very high89.9Confident1 Ų139.1 Ų39.11%0.00721%0.214CC..SBendtrans-69.8165.2176.567.10000112.5D8 S12 M13 T86D8-S10 WeakPolarHBondContact OD1-CB 3.5Å; D8-S10 PolarHBondContact OD1-N 3.22Å; D8-S10 PolarHBondContact OD1-OG 2.83Å; S10-S12 PolarHBondContact O-N 3.28Å; S10-S12 VanDerWaalsContact O-N 3.08Å; S10-S12 PolarHBondContact OG-OG 3.38Å; S10-M13 WeakPolarHBondContact O-CB 3.39Å; S10-M13 PolarHBondContact O-N 3.31Å; S10-T86 WeakPolarHBondContact CB-OG1 3.45Å; S10-T86 PolarHBondContact OG-OG1 3.15Å; S10-T86 VanDerWaalsContact OG-OG1 3.11Å
11L94.4Very high88.2Confident106 Ų10639.3 Ų39.356%0.55523%0.225SC*.G310 helixtrans-59.1-28.4-176-17063.6000112.8M13 T14 Y83 D84L11-M13 PolarHBondContact O-N 2.73Å; L11-T14 HydrophobicContact CD1-CG2 4.44Å; L11-T14 WeakPolarHBondContact O-CB 3.14Å; L11-T14 PolarHBondContact O-N 2.97Å; L11-T14 VanDerWaalsContact O-N 3.09Å; L11-T14 PolarHBondContact O-OG1 2.81Å; L11-Y83 WeakPolarHBondContact CA-O 3.48Å; L11-Y83 WeakPolarHBondContact CB-O 3.4Å; L11-Y83 PolarHBondContact N-O 3.31Å; L11-D84 WeakPolarHBondContact CB-O 3.36Å; L11-D84 PolarHBondContact N-O 3.01Å; L11-D84 VanDerWaalsContact N-O 3.09Å
12S93.8Very high86.6Confident20 Ų2045.9 Ų45.914%0.1426%0.259CS..G310 helixtrans-66.3-25.417962.10000113S10 T14 R15 D116 S118S10-S12 PolarHBondContact O-N 3.28Å; S10-S12 VanDerWaalsContact O-N 3.08Å; S10-S12 PolarHBondContact OG-OG 3.38Å; S12-T14 PolarHBondContact O-N 2.99Å; S12-R15 VanDerWaalsContact O-CB 3.31Å; S12-R15 WeakPolarHBondContact O-CB 3.43Å; S12-R15 WeakPolarHBondContact O-CG 3.46Å; S12-R15 PolarHBondContact O-N 2.84Å; S12-R15 PolarHBondContact O-NE 3.39Å; S12-R15 VanDerWaalsContact O-NE 3.08Å; S12-D116 WeakPolarHBondContact CB-OD2 3.48Å; S12-D116 PolarHBondContact OG-OD1 3.44Å; S12-D116 PolarHBondContact OG-OD2 2.91Å; S12-S118 WeakPolarHBondContact OG-CB 3.35Å; S12-S118 PolarHBondContact OG-OG 3.31Å
13M95.1Very high84.8Confident0 Ų052.3 Ų52.30%029%0.289CS..G310 helixtrans-70.1-15.3174.8-64.5-68.5-73.600112.8M7 D8 S10 L11 R15 R27 K28 A31 D116 I157M7-M13 HydrophobicContact CE-CE 3.82Å; D8-M13 HydrophobicContact CB-CE 4.39Å; D8-M13 HydrophobicContact CB-CG 3.96Å; D8-M13 HydrophobicContact CB-SD 4.15Å; D8-M13 WeakPolarHBondContact O-CG 3.1Å; S10-M13 WeakPolarHBondContact O-CB 3.39Å; S10-M13 PolarHBondContact O-N 3.31Å; L11-M13 PolarHBondContact O-N 2.73Å; M13-R15 VanDerWaalsContact C-N 3.29Å; M13-R27 WeakPolarHBondContact O-CB 3.42Å; M13-R27 PolarHBondContact O-N 3.03Å; M13-K28 HydrophobicContact CB-CB 4.27Å; M13-K28 PolarHBondContact O-N 3.21Å; M13-A31 HydrophobicContact CE-CB 3.99Å; M13-D116 HydrophobicContact SD-CB 3.52Å; M13-D116 VanDerWaalsContact SD-CB 3.52Å; M13-D116 PolarHBondContact SD-N 3.48Å; M13-I157 HydrophobicContact CE-CG1 4.43Å
14T93.6Very high83.5Confident34 Ų3461.5 Ų61.521%0.20933%0.332CS..G310 helixtrans-83.2-3.7174.972.70000113.2L11 S12 Q26 D82L11-T14 HydrophobicContact CD1-CG2 4.44Å; L11-T14 WeakPolarHBondContact O-CB 3.14Å; L11-T14 PolarHBondContact O-N 2.97Å; L11-T14 VanDerWaalsContact O-N 3.09Å; L11-T14 PolarHBondContact O-OG1 2.81Å; S12-T14 PolarHBondContact O-N 2.99Å; T14-Q26 WeakPolarHBondContact O-CG 3.29Å; T14-D82 HydrophobicContact CG2-CB 4.07Å
15R91.2Very high82.9Confident86 Ų8665 Ų6533%0.32535%0.347SS..SBendtrans-59.4141177.2-72.6-176.6-65.6157-2.8110.8S12 M13 Q26 R27 D116 E162S12-R15 VanDerWaalsContact O-CB 3.31Å; S12-R15 WeakPolarHBondContact O-CB 3.43Å; S12-R15 WeakPolarHBondContact O-CG 3.46Å; S12-R15 PolarHBondContact O-N 2.84Å; S12-R15 PolarHBondContact O-NE 3.39Å; S12-R15 VanDerWaalsContact O-NE 3.08Å; M13-R15 VanDerWaalsContact C-N 3.29Å; R15-Q26 WeakPolarHBondContact O-CA 3.36Å; R15-R27 VanDerWaalsContact NH2-NH1 3.18Å; R15-R27 PolarHBondContact O-N 3.02Å; R15-R27 VanDerWaalsContact O-N 3.09Å; R15-D116 IonicContact CZ-OD2 2.96Å; R15-D116 IonicContact NE-OD2 2.81Å; R15-D116 PolarHBondContact NE-OD2 3.39Å; R15-D116 VanDerWaalsContact NH2-CG 3.32Å; R15-D116 IonicContact NH2-OD2 2.81Å; R15-D116 PolarHBondContact NH2-OD2 3.02Å; R15-E162 IonicContact CZ-OE1 3.46Å; R15-E162 IonicContact NH1-OE1 3.48Å; R15-E162 PolarHBondContact NH1-OE1 2.85Å; R15-E162 IonicContact NH2-OE1 2.66Å; R15-E162 PolarHBondContact NH2-OE1 3.23Å
16P89.9Confident82.6Confident73 Ų7368 Ų6847%0.47436%0.361SS..BIsolated β-bridgetrans-66.1146.6175.828.6-34.5000110.9L19P16-L19 HydrophobicContact CG-CD2 4.21Å
17V85.4Confident82.4Confident30 Ų3068.8 Ų68.818%0.18236%0.364CS..SBendtrans-73.9-38.5179.9167.10000112.1F25 L30 L192V17-F25 WeakPolarHBondContact CB-O 3.46Å; V17-F25 HydrophobicContact CG2-CB 4.19Å; V17-F25 VanDerWaalsContact CG2-O 3.29Å; V17-F25 WeakPolarHBondContact CG2-O 3.37Å; V17-F25 PolarHBondContact N-O 3.34Å; V17-L30 HydrophobicContact CB-CD1 4.35Å; V17-L30 HydrophobicContact CG1-CD1 3.93Å; V17-L30 HydrophobicContact CG2-CD1 3.44Å; V17-L30 VanDerWaalsContact CG2-CD1 3.44Å; V17-L30 HydrophobicContact CG2-CG 3.8Å; V17-L192 HydrophobicContact CB-CD2 4.48Å; V17-L192 HydrophobicContact CG1-CB 4.06Å; V17-L192 HydrophobicContact CG1-CD2 4.13Å; V17-L192 HydrophobicContact CG1-CG 3.85Å; V17-L192 WeakPolarHBondContact CG1-O 3.28Å; V17-L192 HydrophobicContact CG2-CD2 4.27Å
18S75.4Confident82.3Confident64 Ų6469.9 Ų69.945%0.44837%0.369SS..  trans-131.6134.3174.4-1790000109.5D20 G21S18-D20 VanDerWaalsContact C-N 3.31Å; S18-D20 PolarHBondContact OG-N 3.43Å; S18-G21 PolarHBondContact OG-N 2.81Å
19L62.6Low82.2Confident161 Ų16173 Ų7384%0.84339%0.385SS*.SBendtrans-77.5-21175.6-69.5165000112.2P16P16-L19 HydrophobicContact CG-CD2 4.21Å
20D58.6Low82.1Confident161 Ų16172.9 Ų72.986%0.86139%0.385SS*.SBendtrans-112.75.2-173.8-63.6-35.7000113.1S18S18-D20 VanDerWaalsContact C-N 3.31Å; S18-D20 PolarHBondContact OG-N 3.43Å
21G55.2Low82.1Confident44 Ų4472.9 Ų72.945%0.45439%0.385SS..  trans-88.6149.1-172.600000114.8S18 E23S18-G21 PolarHBondContact OG-N 2.81Å; G21-E23 VanDerWaalsContact C-N 3.28Å
22I51.1Low82.3Confident176 Ų17669 Ų6990%0.90337%0.365SS*.SBendtrans-75.3-18.1172.5-60.5168.7000111.5
23E55.1Low82.3Confident141 Ų14170.8 Ų70.866%0.65937%0.372SS*.SBendtrans-95.1120.2179.4-65.4-177.4164.400111.6G21 F25G21-E23 VanDerWaalsContact C-N 3.28Å; E23-F25 HydrophobicContact CB-CD2 3.75Å; E23-F25 HydrophobicContact CB-CE2 3.95Å; E23-F25 HydrophobicContact CG-CE2 4.26Å; E23-F25 PolarHBondContact O-N 3.35Å; E23-F25 WeakPolarHBondContact OE2-CE2 3.31Å
24E70.9Confident82.4Confident192 Ų19270.8 Ų70.890%0.89737%0.372SS*.  trans-81.648.5179.9-63.3-174.1165.400113
25F84.9Confident82.6Confident73 Ų7369.2 Ų69.232%0.3236%0.362SS..  trans-81132.4174.7-69.8-64.4000111.6V17 E23 N29V17-F25 WeakPolarHBondContact CB-O 3.46Å; V17-F25 HydrophobicContact CG2-CB 4.19Å; V17-F25 VanDerWaalsContact CG2-O 3.29Å; V17-F25 WeakPolarHBondContact CG2-O 3.37Å; V17-F25 PolarHBondContact N-O 3.34Å; E23-F25 HydrophobicContact CB-CD2 3.75Å; E23-F25 HydrophobicContact CB-CE2 3.95Å; E23-F25 HydrophobicContact CG-CE2 4.26Å; E23-F25 PolarHBondContact O-N 3.35Å; E23-F25 WeakPolarHBondContact OE2-CE2 3.31Å; F25-N29 HydrophobicContact CD1-CB 3.97Å
26Q92.6Very high82.9Confident63 Ų6366.6 Ų66.629%0.29435%0.354SS..BIsolated β-bridgetrans-91.7161.2167.1-55.5178.4-1500110.4T14 R15 K28 N29 L30T14-Q26 WeakPolarHBondContact O-CG 3.29Å; R15-Q26 WeakPolarHBondContact O-CA 3.36Å; Q26-K28 PolarHBondContact O-N 3.27Å; Q26-N29 WeakPolarHBondContact CA-OD1 3.06Å; Q26-N29 VanDerWaalsContact CB-OD1 3.28Å; Q26-N29 WeakPolarHBondContact CB-OD1 3.12Å; Q26-N29 PolarHBondContact N-OD1 3.41Å; Q26-N29 WeakPolarHBondContact O-CB 3.35Å; Q26-N29 PolarHBondContact O-N 3.35Å; Q26-L30 PolarHBondContact O-N 3.08Å
27R94.5Very high83.3Confident17 Ų1765.9 Ų65.96%0.06435%0.345CS..Hα-helixtrans-57.4-37.5175.9-62.2-174.3-178.5-145.41.3112.3M13 R15 N29 L30 A31 I157 E162 L192M13-R27 WeakPolarHBondContact O-CB 3.42Å; M13-R27 PolarHBondContact O-N 3.03Å; R15-R27 VanDerWaalsContact NH2-NH1 3.18Å; R15-R27 PolarHBondContact O-N 3.02Å; R15-R27 VanDerWaalsContact O-N 3.09Å; R27-N29 VanDerWaalsContact C-N 3.28Å; R27-N29 PolarHBondContact O-N 3Å; R27-L30 PolarHBondContact O-N 2.86Å; R27-A31 PolarHBondContact O-N 3.05Å; R27-I157 HydrophobicContact CB-CB 4.38Å; R27-I157 HydrophobicContact CB-CG2 3.78Å; R27-I157 WeakPolarHBondContact CD-O 3.4Å; R27-I157 HydrophobicContact CG-CG2 4.13Å; R27-I157 PolarHBondContact NH1-O 2.9Å; R27-E162 IonicContact CZ-OE1 2.79Å; R27-E162 VanDerWaalsContact CZ-OE1 3.31Å; R27-E162 IonicContact CZ-OE2 2.67Å; R27-E162 VanDerWaalsContact CZ-OE2 3.29Å; R27-E162 VanDerWaalsContact NH1-CD 3.35Å; R27-E162 IonicContact NH1-OE1 3.53Å; R27-E162 PolarHBondContact NH1-OE1 3.41Å; R27-E162 IonicContact NH1-OE2 3.56Å; R27-E162 PolarHBondContact NH1-OE2 2.69Å; R27-E162 IonicContact NH2-OE1 3.53Å; R27-E162 PolarHBondContact NH2-OE1 3.07Å; R27-E162 IonicContact NH2-OE2 3.39Å; R27-E162 PolarHBondContact NH2-OE2 2.7Å; R27-L192 HydrophobicContact CG-CD2 4.28Å
28K95.2Very high83.9Confident23 Ų2364.4 Ų64.410%0.134%0.336CS..Hα-helixtrans-55-42.4173-169.8178.878.9176.10111.9M7 M13 Q26 L30 A31 V32 L80 D82M7-K28 HydrophobicContact CE-CG 4Å; M13-K28 HydrophobicContact CB-CB 4.27Å; M13-K28 PolarHBondContact O-N 3.21Å; Q26-K28 PolarHBondContact O-N 3.27Å; K28-L30 PolarHBondContact O-N 3.09Å; K28-A31 PolarHBondContact O-N 3.44Å; K28-V32 HydrophobicContact CG-CG2 4.48Å; K28-V32 WeakPolarHBondContact O-CG2 3.23Å; K28-V32 PolarHBondContact O-N 3.28Å; K28-L80 PolarHBondContact NZ-O 2.83Å; K28-D82 WeakPolarHBondContact CD-OD1 3.27Å; K28-D82 WeakPolarHBondContact CE-OD1 3.22Å; K28-D82 VanDerWaalsContact NZ-CG 3.31Å; K28-D82 IonicContact NZ-OD1 3.31Å; K28-D82 PolarHBondContact NZ-OD1 3.35Å; K28-D82 IonicContact NZ-OD2 2.84Å; K28-D82 PolarHBondContact NZ-OD2 3.42Å
29N94.3Very high84.9Confident65 Ų6561.4 Ų61.435%0.34832%0.315SS..Hα-helixtrans-64.8-40.9-180-54.9116.4000111.7F25 Q26 R27 V32 H33F25-N29 HydrophobicContact CD1-CB 3.97Å; Q26-N29 WeakPolarHBondContact CA-OD1 3.06Å; Q26-N29 VanDerWaalsContact CB-OD1 3.28Å; Q26-N29 WeakPolarHBondContact CB-OD1 3.12Å; Q26-N29 PolarHBondContact N-OD1 3.41Å; Q26-N29 WeakPolarHBondContact O-CB 3.35Å; Q26-N29 PolarHBondContact O-N 3.35Å; R27-N29 VanDerWaalsContact C-N 3.28Å; R27-N29 PolarHBondContact O-N 3Å; N29-V32 PolarHBondContact O-N 3.03Å; N29-H33 WeakPolarHBondContact O-CB 3.44Å; N29-H33 PolarHBondContact O-N 3.38Å
30L94.8Very high86.6Confident1 Ų159.1 Ų59.11%0.00530%0.3CS..Hα-helixtrans-66.6-41.1176.3-60.9-171.7000112.1V17 Q26 R27 K28 H33 G34 I157 L192 M194 V197V17-L30 HydrophobicContact CB-CD1 4.35Å; V17-L30 HydrophobicContact CG1-CD1 3.93Å; V17-L30 HydrophobicContact CG2-CD1 3.44Å; V17-L30 VanDerWaalsContact CG2-CD1 3.44Å; V17-L30 HydrophobicContact CG2-CG 3.8Å; Q26-L30 PolarHBondContact O-N 3.08Å; R27-L30 PolarHBondContact O-N 2.86Å; K28-L30 PolarHBondContact O-N 3.09Å; L30-H33 PolarHBondContact O-N 3.05Å; L30-G34 PolarHBondContact O-N 2.64Å; L30-I157 HydrophobicContact CB-CG2 4.14Å; L30-I157 HydrophobicContact CD1-CG2 4.34Å; L30-L192 HydrophobicContact CD1-CD1 4.01Å; L30-L192 HydrophobicContact CD1-CD2 4.45Å; L30-L192 HydrophobicContact CD1-CG 3.83Å; L30-M194 HydrophobicContact CD2-CB 4.38Å; L30-M194 HydrophobicContact CD2-SD 3.74Å; L30-V197 HydrophobicContact CB-CG1 4.47Å; L30-V197 HydrophobicContact CB-CG2 4.08Å; L30-V197 HydrophobicContact CD1-CG2 3.99Å
31A96.7Very high88.3Confident0 Ų053.1 Ų53.10%027%0.267CS..Hα-helixtrans-59.8-47.7174.900000112.2M7 M13 R27 K28 H33 G34 L35 V114 I157M7-A31 HydrophobicContact CE-CB 3.37Å; M7-A31 HydrophobicContact SD-CB 3.82Å; M13-A31 HydrophobicContact CE-CB 3.99Å; R27-A31 PolarHBondContact O-N 3.05Å; K28-A31 PolarHBondContact O-N 3.44Å; A31-H33 VanDerWaalsContact C-N 3.29Å; A31-H33 PolarHBondContact O-N 3.47Å; A31-G34 PolarHBondContact O-N 3.09Å; A31-L35 WeakPolarHBondContact O-CB 3.09Å; A31-L35 WeakPolarHBondContact O-CG 3.17Å; A31-L35 PolarHBondContact O-N 2.92Å; A31-V114 HydrophobicContact CB-CG1 3.68Å; A31-I157 HydrophobicContact CB-CD1 4.13Å; A31-I157 HydrophobicContact CB-CG1 4Å
32V96.8Very high90.2Very high24 Ų2451 Ų5115%0.14525%0.245CC..Hα-helixtrans-59-42.9176.2167.20000110.7K28 N29 L35 N36 L77 L80K28-V32 HydrophobicContact CG-CG2 4.48Å; K28-V32 WeakPolarHBondContact O-CG2 3.23Å; K28-V32 PolarHBondContact O-N 3.28Å; N29-V32 PolarHBondContact O-N 3.03Å; V32-L35 PolarHBondContact O-N 3.03Å; V32-N36 WeakPolarHBondContact O-CB 3.47Å; V32-N36 PolarHBondContact O-N 3.47Å; V32-N36 PolarHBondContact O-ND2 3.32Å; V32-L77 HydrophobicContact CG1-CB 4.21Å; V32-L80 HydrophobicContact CG2-CD1 3.99Å
33H95.5Very high92.3Very high59 Ų5944.2 Ų44.227%0.27322%0.215SC..Hα-helixtrans-64.1-44.2177.5-169.881.5000113N29 L30 A31 N36 M37 M194 Q198N29-H33 WeakPolarHBondContact O-CB 3.44Å; N29-H33 PolarHBondContact O-N 3.38Å; L30-H33 PolarHBondContact O-N 3.05Å; A31-H33 VanDerWaalsContact C-N 3.29Å; A31-H33 PolarHBondContact O-N 3.47Å; H33-N36 PolarHBondContact O-N 3.13Å; H33-M37 PolarHBondContact O-N 3.05Å; H33-M194 HydrophobicContact CB-CE 3.68Å; H33-M194 HydrophobicContact CB-SD 3.49Å; H33-M194 WeakPolarHBondContact CB-SD 3.05Å; H33-M194 PolarHBondContact CD2-SD 2.95Å; H33-M194 WeakPolarHBondContact ND1-CE 3.25Å; H33-Q198 PolarHBondContact NE2-NE2 2.83Å
34G96.8Very high93.9Very high0 Ų040.8 Ų40.80%021%0.207CC..Hα-helixtrans-62.1-41.7175.400000112.8L30 A31 M37 L38 F201L30-G34 PolarHBondContact O-N 2.64Å; A31-G34 PolarHBondContact O-N 3.09Å; G34-M37 WeakPolarHBondContact O-CB 3.33Å; G34-M37 PolarHBondContact O-N 3.14Å; G34-L38 PolarHBondContact O-N 2.87Å; G34-F201 VanDerWaalsContact C-CD1 3.46Å; G34-F201 VanDerWaalsContact C-CE1 3.43Å; G34-F201 WeakPolarHBondContact O-CD1 3.29Å
35L98.1Very high94.8Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-67.5-37175.7-74.5171.4000112.8V5 M7 A31 V32 M37 L38 F39 L77 V114 F201V5-L35 HydrophobicContact CG1-CD1 3.97Å; V5-L35 HydrophobicContact CG1-CD2 3.48Å; V5-L35 VanDerWaalsContact CG1-CD2 3.48Å; V5-L35 HydrophobicContact CG1-CG 4.4Å; V5-L35 HydrophobicContact CG2-CD2 4.3Å; M7-L35 HydrophobicContact CB-CD1 4.44Å; M7-L35 HydrophobicContact CG-CD1 4.4Å; M7-L35 HydrophobicContact SD-CD1 3.94Å; A31-L35 WeakPolarHBondContact O-CB 3.09Å; A31-L35 WeakPolarHBondContact O-CG 3.17Å; A31-L35 PolarHBondContact O-N 2.92Å; V32-L35 PolarHBondContact O-N 3.03Å; L35-M37 VanDerWaalsContact C-N 3.33Å; L35-M37 PolarHBondContact O-N 3.09Å; L35-L38 HydrophobicContact CD2-CD2 4.32Å; L35-L38 WeakPolarHBondContact O-CB 3.38Å; L35-L38 PolarHBondContact O-N 3.18Å; L35-F39 WeakPolarHBondContact O-CD2 3.48Å; L35-F39 VanDerWaalsContact O-CG 3.28Å; L35-F39 WeakPolarHBondContact O-CG 3.29Å; L35-F39 PolarHBondContact O-N 2.9Å; L35-L77 HydrophobicContact CB-CD1 3.58Å; L35-L77 HydrophobicContact CD1-CD1 4.4Å; L35-L77 HydrophobicContact CD1-CD2 3.83Å; L35-V114 HydrophobicContact CD1-CG2 4.25Å; L35-V114 HydrophobicContact CD2-CG2 3.96Å; L35-V114 HydrophobicContact CG-CG2 4.21Å; L35-F201 HydrophobicContact CD2-CE1 3.88Å; L35-F201 HydrophobicContact CD2-CZ 4.31Å; L35-F201 HydrophobicContact CG-CE1 4.1Å; L35-F201 HydrophobicContact CG-CZ 4.14Å
36N97.6Very high95.2Very high32 Ų3231.9 Ų31.917%0.17117%0.169CC..Hα-helixtrans-60.7-44.1172.4-78.8-27.2000111.1V32 H33 L38 F39 E40V32-N36 WeakPolarHBondContact O-CB 3.47Å; V32-N36 PolarHBondContact O-N 3.47Å; V32-N36 PolarHBondContact O-ND2 3.32Å; H33-N36 PolarHBondContact O-N 3.13Å; N36-L38 VanDerWaalsContact C-N 3.32Å; N36-L38 PolarHBondContact O-N 3.29Å; N36-F39 PolarHBondContact O-N 2.96Å; N36-E40 WeakPolarHBondContact O-CB 3.22Å; N36-E40 VanDerWaalsContact O-CG 3.27Å; N36-E40 WeakPolarHBondContact O-CG 3.49Å; N36-E40 PolarHBondContact O-N 3.34Å
37M97.2Very high95.1Very high57 Ų5736.8 Ų36.828%0.28118%0.184SC..Hα-helixtrans-58.4-42.9173.8177.1-175.217500112H33 G34 L35 H41 Q198 F201 I205H33-M37 PolarHBondContact O-N 3.05Å; G34-M37 WeakPolarHBondContact O-CB 3.33Å; G34-M37 PolarHBondContact O-N 3.14Å; L35-M37 VanDerWaalsContact C-N 3.33Å; L35-M37 PolarHBondContact O-N 3.09Å; M37-H41 PolarHBondContact O-N 3.25Å; M37-Q198 HydrophobicContact SD-CB 3.98Å; M37-Q198 HydrophobicContact SD-CG 4.07Å; M37-F201 HydrophobicContact SD-CB 4.31Å; M37-I205 HydrophobicContact CE-CD1 4.18Å; M37-I205 HydrophobicContact CG-CD1 4.37Å
38L97.8Very high95Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-61.5-48.5175176.662.2000111.6G34 L35 N36 E40 H41 M42 F201 L204 I205 Y209G34-L38 PolarHBondContact O-N 2.87Å; L35-L38 HydrophobicContact CD2-CD2 4.32Å; L35-L38 WeakPolarHBondContact O-CB 3.38Å; L35-L38 PolarHBondContact O-N 3.18Å; N36-L38 VanDerWaalsContact C-N 3.32Å; N36-L38 PolarHBondContact O-N 3.29Å; L38-E40 PolarHBondContact O-N 2.73Å; L38-H41 WeakPolarHBondContact O-CB 3.39Å; L38-H41 PolarHBondContact O-N 3.21Å; L38-M42 HydrophobicContact CD1-CG 4.17Å; L38-M42 HydrophobicContact CD1-SD 3.97Å; L38-M42 HydrophobicContact CD2-SD 4.48Å; L38-M42 HydrophobicContact CG-CG 4.47Å; L38-M42 HydrophobicContact CG-SD 3.87Å; L38-M42 VanDerWaalsContact O-CG 3.26Å; L38-M42 WeakPolarHBondContact O-CG 3.41Å; L38-M42 PolarHBondContact O-N 2.99Å; L38-F201 HydrophobicContact CB-CD1 4.15Å; L38-L204 HydrophobicContact CD1-CD2 4.4Å; L38-L204 HydrophobicContact CD2-CD2 4.09Å; L38-I205 HydrophobicContact CD1-CG1 3.83Å; L38-Y209 HydrophobicContact CD1-CD2 3.7Å; L38-Y209 HydrophobicContact CD1-CE2 3.91Å; L38-Y209 HydrophobicContact CD1-CG 4.31Å
39F97.8Very high94.9Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-66.4-36.7-179.2-64.8-22000112.8V5 L35 N36 M42 A43 T51 Y70 L73 Q74 L77V5-F39 HydrophobicContact CB-CZ 4.47Å; V5-F39 HydrophobicContact CG2-CE1 3.82Å; V5-F39 HydrophobicContact CG2-CZ 3.96Å; L35-F39 WeakPolarHBondContact O-CD2 3.48Å; L35-F39 VanDerWaalsContact O-CG 3.28Å; L35-F39 WeakPolarHBondContact O-CG 3.29Å; L35-F39 PolarHBondContact O-N 2.9Å; N36-F39 PolarHBondContact O-N 2.96Å; F39-M42 HydrophobicContact CD1-SD 4.32Å; F39-M42 PolarHBondContact O-N 3.2Å; F39-A43 VanDerWaalsContact O-CB 3.22Å; F39-A43 WeakPolarHBondContact O-CB 3.49Å; F39-A43 PolarHBondContact O-N 2.96Å; F39-T51 HydrophobicContact CE1-CG2 3.92Å; F39-Y70 HydrophobicContact CB-CD1 4.07Å; F39-Y70 HydrophobicContact CD1-CD1 4.13Å; F39-Y70 HydrophobicContact CD1-CE1 4.43Å; F39-Y70 HydrophobicContact CG-CD1 4.31Å; F39-L73 HydrophobicContact CD2-CB 3.84Å; F39-L73 HydrophobicContact CE1-CD1 4.42Å; F39-L73 HydrophobicContact CE2-CB 3.67Å; F39-L73 HydrophobicContact CG-CB 4.41Å; F39-L73 HydrophobicContact CZ-CB 4.13Å; F39-Q74 HydrophobicContact CB-CG 3.98Å; F39-Q74 HydrophobicContact CD2-CG 4.03Å; F39-L77 HydrophobicContact CD2-CD1 3.76Å; F39-L77 HydrophobicContact CE2-CD1 3.42Å; F39-L77 VanDerWaalsContact CE2-CD1 3.42Å; F39-L77 HydrophobicContact CE2-CG 4.03Å; F39-L77 HydrophobicContact CZ-CD1 4.5Å
40E96.8Very high95Very high113 Ų11336.6 Ų36.653%0.52818%0.183SC..Hα-helixtrans-62-43.7172.4-74.3171.9-170.600111.7N36 L38 A43 S44N36-E40 WeakPolarHBondContact O-CB 3.22Å; N36-E40 VanDerWaalsContact O-CG 3.27Å; N36-E40 WeakPolarHBondContact O-CG 3.49Å; N36-E40 PolarHBondContact O-N 3.34Å; L38-E40 PolarHBondContact O-N 2.73Å; E40-A43 PolarHBondContact O-N 3.15Å; E40-S44 WeakPolarHBondContact O-CB 3.28Å; E40-S44 PolarHBondContact O-N 2.97Å; E40-S44 VanDerWaalsContact O-N 3.1Å; E40-S44 PolarHBondContact O-OG 3.33Å
41H95.6Very high95.2Very high36 Ų3636.6 Ų36.617%0.16718%0.183CC..Hα-helixtrans-62.3-47.1174.9176.377000111.3M37 L38 A43 S44 N45 I205 Y209M37-H41 PolarHBondContact O-N 3.25Å; L38-H41 WeakPolarHBondContact O-CB 3.39Å; L38-H41 PolarHBondContact O-N 3.21Å; H41-A43 PolarHBondContact O-N 2.69Å; H41-S44 PolarHBondContact O-N 3.46Å; H41-S44 VanDerWaalsContact O-N 3.14Å; H41-N45 PolarHBondContact CE1-ND2 3.28Å; H41-N45 VanDerWaalsContact CE1-ND2 3.32Å; H41-N45 PolarHBondContact ND1-ND2 3.18Å; H41-N45 WeakPolarHBondContact O-CB 3.47Å; H41-N45 PolarHBondContact O-N 3.48Å; H41-N45 PolarHBondContact O-ND2 3.07Å; H41-I205 HydrophobicContact CB-CD1 3.89Å; H41-I205 HydrophobicContact CB-CG1 4.41Å; H41-I205 VanDerWaalsContact CE1-CG2 3.48Å; H41-I205 WeakPolarHBondContact CE1-CG2 3.42Å; H41-I205 WeakPolarHBondContact NE2-CG2 3.17Å; H41-Y209 PolarHBondContact NE2-O 3.42Å
42M95.1Very high95.2Very high0 Ų036.6 Ų36.60%018%0.183CC..Hα-helixtrans-65.3-40.1179.8-65.517488.600112L38 F39 S44 Y46 R47 E49 T51 Y70 Y209L38-M42 HydrophobicContact CD1-CG 4.17Å; L38-M42 HydrophobicContact CD1-SD 3.97Å; L38-M42 HydrophobicContact CD2-SD 4.48Å; L38-M42 HydrophobicContact CG-CG 4.47Å; L38-M42 HydrophobicContact CG-SD 3.87Å; L38-M42 VanDerWaalsContact O-CG 3.26Å; L38-M42 WeakPolarHBondContact O-CG 3.41Å; L38-M42 PolarHBondContact O-N 2.99Å; F39-M42 HydrophobicContact CD1-SD 4.32Å; F39-M42 PolarHBondContact O-N 3.2Å; M42-S44 PolarHBondContact O-N 3.08Å; M42-Y46 CarbonylContact O-C 3.58Å; M42-Y46 WeakPolarHBondContact O-CA 3.47Å; M42-Y46 PolarHBondContact O-N 3.3Å; M42-R47 WeakPolarHBondContact O-CA 3.24Å; M42-R47 PolarHBondContact O-N 2.98Å; M42-E49 HydrophobicContact CE-CB 4.06Å; M42-E49 HydrophobicContact CE-CG 3.44Å; M42-E49 VanDerWaalsContact CE-CG 3.44Å; M42-T51 WeakPolarHBondContact CE-OG1 3.27Å; M42-Y70 HydrophobicContact CB-CD1 3.98Å; M42-Y70 HydrophobicContact CB-CE1 3.34Å; M42-Y70 HydrophobicContact CB-CE2 4.2Å; M42-Y70 VanDerWaalsContact CB-CZ 3.48Å; M42-Y70 HydrophobicContact CE-CE1 4.08Å; M42-Y70 HydrophobicContact CG-CE1 4.18Å; M42-Y70 HydrophobicContact SD-CE1 3.81Å; M42-Y209 HydrophobicContact CE-CD1 4Å; M42-Y209 HydrophobicContact CE-CE1 3.74Å
43A93.8Very high95.3Very high32 Ų3235.4 Ų35.426%0.26418%0.176SC..Hα-helixtrans-61.7-27.3173.900000112.9F39 E40 H41 R47 Y70F39-A43 VanDerWaalsContact O-CB 3.22Å; F39-A43 WeakPolarHBondContact O-CB 3.49Å; F39-A43 PolarHBondContact O-N 2.96Å; E40-A43 PolarHBondContact O-N 3.15Å; H41-A43 PolarHBondContact O-N 2.69Å; A43-R47 WeakPolarHBondContact O-CD 3.44Å; A43-R47 WeakPolarHBondContact O-CG 3.4Å; A43-R47 PolarHBondContact O-NE 3.47Å; A43-Y70 HydrophobicContact CB-CD2 3.96Å; A43-Y70 HydrophobicContact CB-CG 3.98Å
44S90.3Very high95.5Very high69 Ų6932.6 Ų32.648%0.48316%0.163SC..Hα-helixtrans-93.3-46.3-178.4-59.20000112.5E40 H41 M42 R47E40-S44 WeakPolarHBondContact O-CB 3.28Å; E40-S44 PolarHBondContact O-N 2.97Å; E40-S44 VanDerWaalsContact O-N 3.1Å; E40-S44 PolarHBondContact O-OG 3.33Å; H41-S44 PolarHBondContact O-N 3.46Å; H41-S44 VanDerWaalsContact O-N 3.14Å; M42-S44 PolarHBondContact O-N 3.08Å; S44-R47 PolarHBondContact O-NE 3.29Å
45N89.8Confident95.5Very high75 Ų7533 Ų3340%0.40117%0.165SC..Hα-helixtrans-115.9-18.2-164.2-58.3-55.3000113.8H41 Q226H41-N45 PolarHBondContact CE1-ND2 3.28Å; H41-N45 VanDerWaalsContact CE1-ND2 3.32Å; H41-N45 PolarHBondContact ND1-ND2 3.18Å; H41-N45 WeakPolarHBondContact O-CB 3.47Å; H41-N45 PolarHBondContact O-N 3.48Å; H41-N45 PolarHBondContact O-ND2 3.07Å; N45-Q226 PolarHBondContact O-NE2 2.8Å
46Y91.8Very high95.4Very high4 Ų433 Ų332%0.01617%0.166CC..  trans-133.235.6-172.8-137.6-119.3000112.9M42 L48 E49 Y209 F228 R230M42-Y46 CarbonylContact O-C 3.58Å; M42-Y46 WeakPolarHBondContact O-CA 3.47Å; M42-Y46 PolarHBondContact O-N 3.3Å; Y46-L48 PolarHBondContact O-N 3.16Å; Y46-E49 HydrophobicContact CD1-CB 3.48Å; Y46-E49 VanDerWaalsContact CD1-CB 3.48Å; Y46-E49 HydrophobicContact CD1-CG 3.86Å; Y46-E49 HydrophobicContact CE1-CB 3.95Å; Y46-E49 HydrophobicContact CE1-CG 4.08Å; Y46-E49 HydrophobicContact CG-CB 4.42Å; Y46-E49 VanDerWaalsContact O-CB 3.24Å; Y46-E49 WeakPolarHBondContact O-CB 3.49Å; Y46-E49 PolarHBondContact O-N 3Å; Y46-Y209 AromaticContact CD1-CD1 3.9Å; Y46-Y209 HydrophobicContact CD1-CD1 3.9Å; Y46-Y209 HydrophobicContact CE1-CD1 4.07Å; Y46-F228 AromaticContact CD1-CE2 3.73Å; Y46-F228 HydrophobicContact CD1-CE2 3.73Å; Y46-F228 HydrophobicContact CD1-CZ 4.39Å; Y46-F228 HydrophobicContact CD2-CD2 4.09Å; Y46-F228 AromaticContact CD2-CE2 3.79Å; Y46-F228 HydrophobicContact CD2-CE2 3.79Å; Y46-F228 HydrophobicContact CE1-CD2 4.43Å; Y46-F228 AromaticContact CE1-CE2 3.48Å; Y46-F228 HydrophobicContact CE1-CE2 3.48Å; Y46-F228 VanDerWaalsContact CE1-CE2 3.48Å; Y46-F228 HydrophobicContact CE1-CZ 4.04Å; Y46-F228 AromaticContact CE2-CD2 3.72Å; Y46-F228 HydrophobicContact CE2-CD2 3.72Å; Y46-F228 AromaticContact CE2-CE2 3.54Å; Y46-F228 HydrophobicContact CE2-CE2 3.54Å; Y46-F228 AromaticContact CG-CE2 3.86Å; Y46-F228 HydrophobicContact CG-CE2 3.86Å; Y46-F228 AromaticContact CZ-CD2 3.9Å; Y46-F228 AromaticContact CZ-CE2 3.37Å; Y46-R230 PolarHBondContact OH-N 3.23Å
47R91.1Very high95.3Very high165 Ų16531.7 Ų31.762%0.62316%0.159SC*.THydrogen-bonded Turntrans-53.8-23.9-168.4-70.6177.4-177.9174.56.7116.8M42 A43 S44M42-R47 WeakPolarHBondContact O-CA 3.24Å; M42-R47 PolarHBondContact O-N 2.98Å; A43-R47 WeakPolarHBondContact O-CD 3.44Å; A43-R47 WeakPolarHBondContact O-CG 3.4Å; A43-R47 PolarHBondContact O-NE 3.47Å; S44-R47 PolarHBondContact O-NE 3.29Å
48L91.5Very high95Very high42 Ų4230.5 Ų30.522%0.2216%0.156CC..THydrogen-bonded Turntrans-88.8-9.8-175.4-64.9-176.9000113.4Y46 R68 F228 L272 L274Y46-L48 PolarHBondContact O-N 3.16Å; L48-R68 PolarHBondContact O-NE 3.02Å; L48-R68 PolarHBondContact O-NH2 3.25Å; L48-F228 VanDerWaalsContact C-CZ 3.5Å; L48-F228 HydrophobicContact CB-CD1 3.66Å; L48-F228 HydrophobicContact CB-CD2 4.35Å; L48-F228 HydrophobicContact CB-CE1 3.44Å; L48-F228 VanDerWaalsContact CB-CE1 3.44Å; L48-F228 HydrophobicContact CB-CE2 4.12Å; L48-F228 HydrophobicContact CB-CG 4.15Å; L48-F228 HydrophobicContact CB-CZ 3.72Å; L48-F228 HydrophobicContact CD1-CD1 4.02Å; L48-F228 HydrophobicContact CD1-CG 4.23Å; L48-L272 HydrophobicContact CD1-CD1 3.7Å; L48-L274 HydrophobicContact CD1-CD1 3.49Å; L48-L274 VanDerWaalsContact CD1-CD1 3.49Å
49E94.1Very high94.8Very high2 Ų236.8 Ų36.81%0.00919%0.189CC..  trans-69131.4177.3-176.974.4168.500110.4T3 M42 Y46 Y70 F228T3-E49 PolarHBondContact N-OE1 3.41Å; T3-E49 PolarHBondContact OG1-OE1 3.42Å; M42-E49 HydrophobicContact CE-CB 4.06Å; M42-E49 HydrophobicContact CE-CG 3.44Å; M42-E49 VanDerWaalsContact CE-CG 3.44Å; Y46-E49 HydrophobicContact CD1-CB 3.48Å; Y46-E49 VanDerWaalsContact CD1-CB 3.48Å; Y46-E49 HydrophobicContact CD1-CG 3.86Å; Y46-E49 HydrophobicContact CE1-CB 3.95Å; Y46-E49 HydrophobicContact CE1-CG 4.08Å; Y46-E49 HydrophobicContact CG-CB 4.42Å; Y46-E49 VanDerWaalsContact O-CB 3.24Å; Y46-E49 WeakPolarHBondContact O-CB 3.49Å; Y46-E49 PolarHBondContact O-N 3Å; E49-Y70 PolarHBondContact O-OH 2.85Å; E49-F228 HydrophobicContact CB-CE2 4.32Å; E49-F228 HydrophobicContact CB-CZ 3.9Å; E49-F228 VanDerWaalsContact N-CZ 3.29Å
50F96.3Very high94.7Very high58 Ų5841.2 Ų41.225%0.25421%0.206SC..  trans-87.4126.1171.3-77.8-83.2000109.1P2 T3 F66 T67 R68 W103P2-F50 CarbonylContact C-O 3.56Å; P2-F50 WeakPolarHBondContact CA-O 3.34Å; P2-F50 HydrophobicContact CB-CB 4.18Å; P2-F50 WeakPolarHBondContact CB-O 3.47Å; T3-F50 PolarHBondContact N-O 3.42Å; F50-F66 HydrophobicContact CB-CB 4.29Å; F50-F66 HydrophobicContact CB-CD1 4.1Å; F50-F66 HydrophobicContact CD1-CB 4.41Å; F50-T67 WeakPolarHBondContact CA-O 3.42Å; F50-R68 HydrophobicContact CD1-CG 4.02Å; F50-R68 HydrophobicContact CE1-CG 4.02Å; F50-R68 HydrophobicContact CG-CG 4.35Å; F50-R68 HydrophobicContact CZ-CG 4.37Å; F50-W103 HydrophobicContact CB-CH2 4.4Å; F50-W103 HydrophobicContact CB-CZ2 3.77Å; F50-W103 HydrophobicContact CD1-CZ2 4.27Å; F50-W103 AromaticContact CD2-CH2 3.46Å; F50-W103 HydrophobicContact CD2-CH2 3.46Å; F50-W103 VanDerWaalsContact CD2-CH2 3.46Å; F50-W103 AromaticContact CD2-CZ2 3.72Å; F50-W103 HydrophobicContact CD2-CZ2 3.72Å; F50-W103 AromaticContact CE2-CH2 3.69Å; F50-W103 HydrophobicContact CE2-CH2 3.69Å; F50-W103 HydrophobicContact CE2-CZ2 4.33Å; F50-W103 AromaticContact CG-CH2 3.89Å; F50-W103 HydrophobicContact CG-CH2 3.89Å; F50-W103 AromaticContact CG-CZ2 3.67Å; F50-W103 HydrophobicContact CG-CZ2 3.67Å; F50-W103 HydrophobicContact CZ-CH2 4.33Å
51T98.1Very high94.7Very high0 Ų040.9 Ų40.90%020%0.204CC..EExtended strand (participates in β ladder)trans-123133.4-179.9-560000110T3 V5 F39 M42 T67 Y70 L73T3-T51 HydrophobicContact CG2-CG2 4.19Å; T3-T51 CarbonylContact O-C 3.59Å; T3-T51 VanDerWaalsContact O-CA 3.24Å; T3-T51 WeakPolarHBondContact O-CA 3.45Å; V5-T51 HydrophobicContact CG2-CG2 4.06Å; F39-T51 HydrophobicContact CE1-CG2 3.92Å; M42-T51 WeakPolarHBondContact CE-OG1 3.27Å; T51-T67 PolarHBondContact N-O 2.8Å; T51-T67 PolarHBondContact O-N 3.1Å; T51-Y70 PolarHBondContact OG1-OH 3.41Å; T51-L73 HydrophobicContact CG2-CD1 3.9Å
52A98.4Very high94.8Very high0 Ų042 Ų420%021%0.211CC..EExtended strand (participates in β ladder)trans-110.7148.5169.600000109.8T3 V5 L62 V64 F66T3-A52 PolarHBondContact O-N 2.98Å; V5-A52 PolarHBondContact N-O 3.29Å; A52-L62 HydrophobicContact CB-CD1 4.31Å; A52-V64 WeakPolarHBondContact CA-O 3.5Å; A52-F66 HydrophobicContact CB-CD1 3.73Å; A52-F66 HydrophobicContact CB-CD2 4.32Å; A52-F66 HydrophobicContact CB-CE1 3.82Å; A52-F66 HydrophobicContact CB-CE2 4.44Å; A52-F66 HydrophobicContact CB-CG 3.99Å; A52-F66 HydrophobicContact CB-CZ 4.2Å
53L98.6Very high94.9Very high0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-116.6121.3175.117864.9000109.8V5 M7 L63 V64 L73 A76 L77V5-L53 HydrophobicContact CB-CD1 3.97Å; V5-L53 HydrophobicContact CG1-CD1 3.68Å; M7-L53 HydrophobicContact CB-CD1 4.39Å; L53-L63 HydrophobicContact CD2-CB 4.46Å; L53-L63 HydrophobicContact CD2-CD1 4.19Å; L53-L63 HydrophobicContact CG-CB 4.4Å; L53-L63 HydrophobicContact CG-CD1 4.28Å; L53-L63 PolarHBondContact O-N 3.39Å; L53-V64 HydrophobicContact CB-CB 4.09Å; L53-V64 HydrophobicContact CB-CG2 4.27Å; L53-V64 HydrophobicContact CD2-CG2 4.46Å; L53-V64 PolarHBondContact N-O 2.91Å; L53-V64 PolarHBondContact O-N 2.98Å; L53-V64 VanDerWaalsContact O-N 3.08Å; L53-L73 HydrophobicContact CB-CD2 3.6Å; L53-A76 HydrophobicContact CD2-CB 3.88Å; L53-L77 HydrophobicContact CD1-CD2 4.03Å; L53-L77 HydrophobicContact CD2-CD2 3.78Å; L53-L77 HydrophobicContact CD2-CG 4.03Å
54M98.1Very high95.1Very high0 Ų043.9 Ų43.90%022%0.217CC..EExtended strand (participates in β ladder)trans-117.5139.5174.7-62.8-179.462.100109.3V4 V5 L6 M7 W60 E61 L62 V95 V98V4-M54 HydrophobicContact CG1-CG 4.11Å; V4-M54 HydrophobicContact CG1-SD 3.65Å; V5-M54 PolarHBondContact O-N 3.42Å; L6-M54 WeakPolarHBondContact CA-O 2.96Å; L6-M54 HydrophobicContact CD1-CB 3.72Å; M7-M54 PolarHBondContact N-O 3.18Å; M54-W60 HydrophobicContact CE-CD2 3.97Å; M54-W60 HydrophobicContact CE-CE3 3.32Å; M54-W60 HydrophobicContact CE-CZ3 3.67Å; M54-E61 VanDerWaalsContact CA-O 3.3Å; M54-E61 WeakPolarHBondContact CA-O 3.4Å; M54-L62 HydrophobicContact CG-CD1 3.65Å; M54-L62 HydrophobicContact SD-CD1 4.48Å; M54-V95 HydrophobicContact CE-CG2 4.32Å; M54-V95 HydrophobicContact SD-CG2 3.89Å; M54-V98 HydrophobicContact CE-CG2 4.4Å; M54-V98 HydrophobicContact SD-CB 4.45Å; M54-V98 HydrophobicContact SD-CG2 4.15Å
55A97.4Very high95.5Very high7 Ų744.2 Ų44.26%0.05822%0.217CC..EExtended strand (participates in β ladder)trans-112.5147.1170.500000110M7 V9 W60 E61 L63 L80M7-A55 VanDerWaalsContact O-CA 3.31Å; M7-A55 WeakPolarHBondContact O-CA 3.47Å; V9-A55 HydrophobicContact CG1-CB 4.04Å; V9-A55 HydrophobicContact CG2-CB 3.96Å; A55-W60 CarbonylContact O-C 2.74Å; A55-W60 WeakPolarHBondContact O-CA 3.47Å; A55-E61 PolarHBondContact N-O 2.95Å; A55-E61 PolarHBondContact O-N 3.24Å; A55-L63 HydrophobicContact CB-CD1 3.57Å; A55-L63 HydrophobicContact CB-CG 4.03Å; A55-L80 HydrophobicContact CB-CD2 4.35Å
56F96.5Very high95.9Very high2 Ų241.8 Ų41.81%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-143145.9177.677.6-72.1000114.1L6 M7 D8 V9 L59 W60 T86 L88 A91 L113L6-F56 HydrophobicContact CD1-CB 4.22Å; L6-F56 HydrophobicContact CD1-CD1 3.51Å; L6-F56 HydrophobicContact CD1-CE1 4.23Å; L6-F56 HydrophobicContact CD1-CG 4.11Å; L6-F56 HydrophobicContact CD2-CD1 4.15Å; L6-F56 HydrophobicContact CD2-CE1 4.18Å; L6-F56 HydrophobicContact CG-CD1 3.52Å; L6-F56 HydrophobicContact CG-CE1 3.7Å; L6-F56 HydrophobicContact CG-CG 4.39Å; M7-F56 VanDerWaalsContact O-CD1 3.28Å; M7-F56 WeakPolarHBondContact O-CD1 3.38Å; M7-F56 PolarHBondContact O-N 3.13Å; D8-F56 VanDerWaalsContact CA-CE1 3.43Å; D8-F56 HydrophobicContact CB-CE1 3.68Å; D8-F56 HydrophobicContact CB-CZ 3.75Å; V9-F56 VanDerWaalsContact CG2-O 3.26Å; V9-F56 WeakPolarHBondContact CG2-O 3.25Å; V9-F56 PolarHBondContact N-O 3.3Å; F56-L59 WeakPolarHBondContact CA-O 3.45Å; F56-W60 HydrophobicContact CB-CB 4.01Å; F56-T86 HydrophobicContact CD2-CG2 4.3Å; F56-T86 HydrophobicContact CE2-CG2 3.48Å; F56-T86 VanDerWaalsContact CE2-CG2 3.48Å; F56-T86 HydrophobicContact CZ-CG2 4.22Å; F56-L88 HydrophobicContact CD2-CD1 4.49Å; F56-L88 HydrophobicContact CE1-CD1 4.49Å; F56-L88 HydrophobicContact CE2-CB 4.19Å; F56-L88 HydrophobicContact CE2-CD1 3.7Å; F56-L88 HydrophobicContact CZ-CD1 3.73Å; F56-A91 HydrophobicContact CB-CB 3.59Å; F56-A91 HydrophobicContact CD1-CB 4.31Å; F56-A91 HydrophobicContact CD2-CB 3.72Å; F56-A91 HydrophobicContact CE2-CB 4.5Å; F56-A91 HydrophobicContact CG-CB 3.61Å; F56-L113 HydrophobicContact CE1-CD1 3.68Å; F56-L113 HydrophobicContact CZ-CD1 3.73Å
57S94.8Very high96.1Very high4 Ų443.3 Ų43.33%0.02821%0.213CC..SBendtrans-142.8-114.9166.7-178.70000106.1L59 Y83 D84 K85 C87S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 CarbonylContact C-O 3.4Å; S57-L59 PolarHBondContact N-O 2.93Å; S57-Y83 VanDerWaalsContact CB-CB 3.41Å; S57-Y83 WeakPolarHBondContact OG-CB 3.41Å; S57-D84 PolarHBondContact OG-N 3.27Å; S57-D84 VanDerWaalsContact OG-N 3.11Å; S57-D84 PolarHBondContact OG-OD1 3.45Å; S57-K85 CarbonylContact C-O 3.48Å; S57-K85 WeakPolarHBondContact CA-O 3.2Å; S57-K85 VanDerWaalsContact O-O 3.08Å; S57-K85 PolarHBondContact OG-N 3.19Å; S57-K85 PolarHBondContact OG-O 2.73Å; S57-C87 WeakPolarHBondContact O-CB 3.48Å; S57-C87 PolarHBondContact O-N 3.36Å
58S92.3Very high96.4Very high31 Ų3140.3 Ų40.322%0.21720%0.202CC..SBendtrans-75.2-27.6178.453.30000112.2D84 K85S58-D84 WeakPolarHBondContact CB-OD1 3.19Å; S58-D84 WeakPolarHBondContact CB-OD2 3.13Å; S58-D84 PolarHBondContact N-OD1 2.97Å; S58-D84 VanDerWaalsContact OG-CG 3.3Å; S58-D84 PolarHBondContact OG-OD1 3.07Å; S58-D84 PolarHBondContact OG-OD2 2.77Å; S58-D84 VanDerWaalsContact OG-OD2 3.08Å; S58-K85 VanDerWaalsContact CA-O 3.32Å; S58-K85 WeakPolarHBondContact CA-O 3.36Å; S58-K85 PolarHBondContact N-O 3.23Å
59L93.1Very high96.6Very high132 Ų13242 Ų4269%0.69121%0.211SC*.SBendtrans-117.7172.5167.8-58.4177000108.7F56 S57F56-L59 WeakPolarHBondContact CA-O 3.45Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 CarbonylContact C-O 3.4Å; S57-L59 PolarHBondContact N-O 2.93Å
60W95.5Very high96.8Very high93 Ų9342.3 Ų42.335%0.35221%0.212SC..EExtended strand (participates in β ladder)trans-121.7152.4170.365.4-92.6000109.6M54 A55 F56 L62 L90 A91 G94 V98M54-W60 HydrophobicContact CE-CD2 3.97Å; M54-W60 HydrophobicContact CE-CE3 3.32Å; M54-W60 HydrophobicContact CE-CZ3 3.67Å; A55-W60 CarbonylContact O-C 2.74Å; A55-W60 WeakPolarHBondContact O-CA 3.47Å; F56-W60 HydrophobicContact CB-CB 4.01Å; W60-L62 HydrophobicContact CZ3-CB 4.3Å; W60-L90 PolarHBondContact NE1-O 2.67Å; W60-A91 HydrophobicContact CB-CB 4.27Å; W60-G94 VanDerWaalsContact CE2-CA 3.41Å; W60-V98 HydrophobicContact CH2-CG2 4.49Å; W60-V98 HydrophobicContact CZ3-CG2 4.37Å
61E96.6Very high96.7Very high107 Ų10744.9 Ų44.950%0.523%0.229SC..EExtended strand (participates in β ladder)trans-135.1139.7176.1-176.6173.5-171.100110M54 A55 L63M54-E61 VanDerWaalsContact CA-O 3.3Å; M54-E61 WeakPolarHBondContact CA-O 3.4Å; A55-E61 PolarHBondContact N-O 2.95Å; A55-E61 PolarHBondContact O-N 3.24Å; E61-L63 HydrophobicContact CB-CD2 4.49Å; E61-L63 HydrophobicContact CG-CD2 4.09Å; E61-L63 PolarHBondContact O-N 2.86Å
62L97.6Very high96.7Very high60 Ų6046.5 Ų46.531%0.31424%0.242SC..EExtended strand (participates in β ladder)trans-86.599.3168.7179.266.1000108.4A52 M54 W60 V64 P65 V98A52-L62 HydrophobicContact CB-CD1 4.31Å; M54-L62 HydrophobicContact CG-CD1 3.65Å; M54-L62 HydrophobicContact SD-CD1 4.48Å; W60-L62 HydrophobicContact CZ3-CB 4.3Å; L62-V64 WeakPolarHBondContact CD1-O 3.48Å; L62-P65 HydrophobicContact CD2-CB 4.21Å; L62-V98 HydrophobicContact CD1-CG1 4.24Å; L62-V98 HydrophobicContact CD1-CG2 4.35Å; L62-V98 HydrophobicContact CD2-CG1 4.41Å; L62-V98 HydrophobicContact CD2-CG2 4.14Å
63L97.5Very high96.6Very high57 Ų5746.5 Ų46.530%0.29824%0.242SC..EExtended strand (participates in β ladder)trans-73.3-43.2-178.8-62.4179.1000111.6L53 A55 E61 L80L53-L63 HydrophobicContact CD2-CB 4.46Å; L53-L63 HydrophobicContact CD2-CD1 4.19Å; L53-L63 HydrophobicContact CG-CB 4.4Å; L53-L63 HydrophobicContact CG-CD1 4.28Å; L53-L63 PolarHBondContact O-N 3.39Å; A55-L63 HydrophobicContact CB-CD1 3.57Å; A55-L63 HydrophobicContact CB-CG 4.03Å; E61-L63 HydrophobicContact CB-CD2 4.49Å; E61-L63 HydrophobicContact CG-CD2 4.09Å; E61-L63 PolarHBondContact O-N 2.86Å; L63-L80 HydrophobicContact CD1-CD2 3.31Å
64V98.1Very high96.6Very high14 Ų1448.4 Ų48.49%0.08525%0.251CS..EExtended strand (participates in β ladder)trans-135119.2179.2-171.40000108.6A52 L53 L62 T67 L73 A76A52-V64 WeakPolarHBondContact CA-O 3.5Å; L53-V64 HydrophobicContact CB-CB 4.09Å; L53-V64 HydrophobicContact CB-CG2 4.27Å; L53-V64 HydrophobicContact CD2-CG2 4.46Å; L53-V64 PolarHBondContact N-O 2.91Å; L53-V64 PolarHBondContact O-N 2.98Å; L53-V64 VanDerWaalsContact O-N 3.08Å; L62-V64 WeakPolarHBondContact CD1-O 3.48Å; V64-T67 HydrophobicContact CG1-CG2 3.73Å; V64-L73 HydrophobicContact CB-CD2 3.68Å; V64-L73 HydrophobicContact CG1-CD2 3.69Å; V64-L73 HydrophobicContact CG1-CG 4.22Å; V64-L73 HydrophobicContact CG2-CD2 4.11Å; V64-A76 HydrophobicContact CG2-CB 3.45Å; V64-A76 VanDerWaalsContact CG2-CB 3.45Å
65P97.9Very high96.5Very high75 Ų7554.7 Ų54.749%0.48728%0.28SS..EExtended strand (participates in β ladder)trans-66.2170.9173.630.6-35.4000111L62 T67L62-P65 HydrophobicContact CD2-CB 4.21Å; P65-T67 PolarHBondContact O-N 2.76Å
66F97.9Very high96.5Very high25 Ų2555.4 Ų55.411%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-53.1117.5-179.5-77.4-70.2000112.1P2 T3 V4 F50 A52 V98 V99 E102 W103P2-F66 HydrophobicContact CB-CD1 4.03Å; P2-F66 HydrophobicContact CB-CE1 3.64Å; P2-F66 HydrophobicContact CB-CZ 4.3Å; P2-F66 HydrophobicContact CG-CE1 4.39Å; T3-F66 WeakPolarHBondContact O-CE1 3.27Å; V4-F66 HydrophobicContact CG2-CE1 3.79Å; V4-F66 HydrophobicContact CG2-CZ 3.46Å; V4-F66 VanDerWaalsContact CG2-CZ 3.46Å; F50-F66 HydrophobicContact CB-CB 4.29Å; F50-F66 HydrophobicContact CB-CD1 4.1Å; F50-F66 HydrophobicContact CD1-CB 4.41Å; A52-F66 HydrophobicContact CB-CD1 3.73Å; A52-F66 HydrophobicContact CB-CD2 4.32Å; A52-F66 HydrophobicContact CB-CE1 3.82Å; A52-F66 HydrophobicContact CB-CE2 4.44Å; A52-F66 HydrophobicContact CB-CG 3.99Å; A52-F66 HydrophobicContact CB-CZ 4.2Å; F66-V98 HydrophobicContact CD2-CG1 4.26Å; F66-V98 HydrophobicContact CE2-CG1 3.74Å; F66-V98 HydrophobicContact CZ-CG1 4.45Å; F66-V99 HydrophobicContact CZ-CG2 4.12Å; F66-E102 HydrophobicContact CD2-CB 3.91Å; F66-E102 HydrophobicContact CD2-CG 3.95Å; F66-E102 HydrophobicContact CE2-CB 4.19Å; F66-E102 HydrophobicContact CE2-CG 4.49Å; F66-W103 HydrophobicContact CB-CZ2 4.42Å; F66-W103 AromaticContact CD1-NE1 3.75Å; F66-W103 AromaticContact CD2-CD1 3.96Å; F66-W103 AromaticContact CD2-NE1 3.28Å; F66-W103 VanDerWaalsContact CD2-NE1 3.28Å; F66-W103 AromaticContact CE1-NE1 3.79Å; F66-W103 AromaticContact CE2-CD1 3.55Å; F66-W103 AromaticContact CE2-NE1 3.29Å; F66-W103 VanDerWaalsContact CE2-NE1 3.29Å; F66-W103 HydrophobicContact CG-CZ2 4.43Å; F66-W103 AromaticContact CG-NE1 3.5Å; F66-W103 AromaticContact CZ-CD1 3.82Å; F66-W103 AromaticContact CZ-NE1 3.55Å
67T97.2Very high96.4Very high35 Ų3555.4 Ų55.422%0.21529%0.286CS..EExtended strand (participates in β ladder)trans-141.4163.3-178.1-171.10000111.3F50 T51 V64 P65 D69 L73F50-T67 WeakPolarHBondContact CA-O 3.42Å; T51-T67 PolarHBondContact N-O 2.8Å; T51-T67 PolarHBondContact O-N 3.1Å; V64-T67 HydrophobicContact CG1-CG2 3.73Å; P65-T67 PolarHBondContact O-N 2.76Å; T67-D69 HydrophobicContact CG2-CB 4.49Å; T67-D69 WeakPolarHBondContact OG1-CB 3.22Å; T67-D69 PolarHBondContact OG1-N 3.33Å; T67-L73 HydrophobicContact CG2-CD1 4.06Å; T67-L73 HydrophobicContact CG2-CD2 4.37Å; T67-L73 HydrophobicContact CG2-CG 3.99Å
68R96.2Very high96.2Very high102 Ų10259.3 Ų59.339%0.38531%0.313SS..SBendtrans-104.6-1165.8-66.8175.4174.9157.2-4.2111.9L48 F50 Y70L48-R68 PolarHBondContact O-NE 3.02Å; L48-R68 PolarHBondContact O-NH2 3.25Å; F50-R68 HydrophobicContact CD1-CG 4.02Å; F50-R68 HydrophobicContact CE1-CG 4.02Å; F50-R68 HydrophobicContact CG-CG 4.35Å; F50-R68 HydrophobicContact CZ-CG 4.37Å; R68-Y70 WeakPolarHBondContact O-CD2 3.25Å; R68-Y70 PolarHBondContact O-N 2.98Å
69D96.8Very high96.2Very high78 Ų7863.4 Ų63.442%0.41733%0.333SS..  trans-82.489.5175.8-170-7.6000109.6T67 N71 A72 L73T67-D69 HydrophobicContact CG2-CB 4.49Å; T67-D69 WeakPolarHBondContact OG1-CB 3.22Å; T67-D69 PolarHBondContact OG1-N 3.33Å; D69-N71 PolarHBondContact O-N 3.27Å; D69-N71 WeakPolarHBondContact OD1-CB 3.4Å; D69-N71 PolarHBondContact OD1-N 2.84Å; D69-N71 VanDerWaalsContact OD1-N 3.15Å; D69-A72 HydrophobicContact CB-CB 4.24Å; D69-A72 PolarHBondContact O-N 3.19Å; D69-A72 PolarHBondContact OD1-N 3.47Å; D69-L73 PolarHBondContact O-N 3.35Å
70Y96.8Very high96.2Very high8 Ų858 Ų583%0.03130%0.304CS..Hα-helixtrans-68-21.3179-69.1-81.4000112.9F39 M42 A43 E49 T51 R68 L73 Q74F39-Y70 HydrophobicContact CB-CD1 4.07Å; F39-Y70 HydrophobicContact CD1-CD1 4.13Å; F39-Y70 HydrophobicContact CD1-CE1 4.43Å; F39-Y70 HydrophobicContact CG-CD1 4.31Å; M42-Y70 HydrophobicContact CB-CD1 3.98Å; M42-Y70 HydrophobicContact CB-CE1 3.34Å; M42-Y70 HydrophobicContact CB-CE2 4.2Å; M42-Y70 VanDerWaalsContact CB-CZ 3.48Å; M42-Y70 HydrophobicContact CE-CE1 4.08Å; M42-Y70 HydrophobicContact CG-CE1 4.18Å; M42-Y70 HydrophobicContact SD-CE1 3.81Å; A43-Y70 HydrophobicContact CB-CD2 3.96Å; A43-Y70 HydrophobicContact CB-CG 3.98Å; E49-Y70 PolarHBondContact O-OH 2.85Å; T51-Y70 PolarHBondContact OG1-OH 3.41Å; R68-Y70 WeakPolarHBondContact O-CD2 3.25Å; R68-Y70 PolarHBondContact O-N 2.98Å; Y70-L73 HydrophobicContact CD1-CD1 3.83Å; Y70-L73 HydrophobicContact CE1-CD1 4.15Å; Y70-L73 PolarHBondContact O-N 3.35Å; Y70-Q74 VanDerWaalsContact O-CG 3.31Å; Y70-Q74 WeakPolarHBondContact O-CG 3.39Å; Y70-Q74 PolarHBondContact O-N 2.99Å
71N96.2Very high96Very high113 Ų11359.5 Ų59.560%0.60432%0.315SS*.Hα-helixtrans-67.9-41.8175.2-59.1-44.6000110.5D69 L73 Q74 E75D69-N71 PolarHBondContact O-N 3.27Å; D69-N71 WeakPolarHBondContact OD1-CB 3.4Å; D69-N71 PolarHBondContact OD1-N 2.84Å; D69-N71 VanDerWaalsContact OD1-N 3.15Å; N71-L73 VanDerWaalsContact C-N 3.29Å; N71-L73 PolarHBondContact O-N 3.06Å; N71-Q74 PolarHBondContact O-N 3.15Å; N71-E75 WeakPolarHBondContact O-CB 3.33Å; N71-E75 PolarHBondContact O-N 2.63Å
72A96.8Very high95.8Very high33 Ų3358.2 Ų58.227%0.27331%0.312SS..Hα-helixtrans-62.4-37175.700000112.1D69 A76D69-A72 HydrophobicContact CB-CB 4.24Å; D69-A72 PolarHBondContact O-N 3.19Å; D69-A72 PolarHBondContact OD1-N 3.47Å; A72-A76 WeakPolarHBondContact O-CB 3.12Å; A72-A76 PolarHBondContact O-N 3.27Å
73L97.7Very high95.7Very high0 Ų059.7 Ų59.70%031%0.314CS..Hα-helixtrans-64.7-43.6174.6-70.2166.1000111.7F39 T51 L53 V64 T67 D69 Y70 N71 A76 L77F39-L73 HydrophobicContact CD2-CB 3.84Å; F39-L73 HydrophobicContact CE1-CD1 4.42Å; F39-L73 HydrophobicContact CE2-CB 3.67Å; F39-L73 HydrophobicContact CG-CB 4.41Å; F39-L73 HydrophobicContact CZ-CB 4.13Å; T51-L73 HydrophobicContact CG2-CD1 3.9Å; L53-L73 HydrophobicContact CB-CD2 3.6Å; V64-L73 HydrophobicContact CB-CD2 3.68Å; V64-L73 HydrophobicContact CG1-CD2 3.69Å; V64-L73 HydrophobicContact CG1-CG 4.22Å; V64-L73 HydrophobicContact CG2-CD2 4.11Å; T67-L73 HydrophobicContact CG2-CD1 4.06Å; T67-L73 HydrophobicContact CG2-CD2 4.37Å; T67-L73 HydrophobicContact CG2-CG 3.99Å; D69-L73 PolarHBondContact O-N 3.35Å; Y70-L73 HydrophobicContact CD1-CD1 3.83Å; Y70-L73 HydrophobicContact CE1-CD1 4.15Å; Y70-L73 PolarHBondContact O-N 3.35Å; N71-L73 VanDerWaalsContact C-N 3.29Å; N71-L73 PolarHBondContact O-N 3.06Å; L73-A76 PolarHBondContact O-N 2.84Å; L73-L77 WeakPolarHBondContact O-CG 3.22Å; L73-L77 PolarHBondContact O-N 2.93Å; L73-L77 VanDerWaalsContact O-N 3.16Å
74Q96.8Very high95.3Very high40 Ų4061 Ų6119%0.18732%0.322CS..Hα-helixtrans-68-38.2177-68.7176.7-51.200112.9F39 Y70 N71 L77 S78F39-Q74 HydrophobicContact CB-CG 3.98Å; F39-Q74 HydrophobicContact CD2-CG 4.03Å; Y70-Q74 VanDerWaalsContact O-CG 3.31Å; Y70-Q74 WeakPolarHBondContact O-CG 3.39Å; Y70-Q74 PolarHBondContact O-N 2.99Å; N71-Q74 PolarHBondContact O-N 3.15Å; Q74-L77 PolarHBondContact O-N 3.22Å; Q74-S78 PolarHBondContact O-N 3.34Å; Q74-S78 PolarHBondContact O-OG 3.29Å; Q74-S78 VanDerWaalsContact O-OG 3.07Å
75E96.7Very high94.9Very high132 Ų13264 Ų6462%0.61733%0.333SS*.Hα-helixtrans-64-41.8175.2-173.5176.5-176.200111.1N71 L77 S78 N79N71-E75 WeakPolarHBondContact O-CB 3.33Å; N71-E75 PolarHBondContact O-N 2.63Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 3.25Å; E75-S78 WeakPolarHBondContact O-CB 3.42Å; E75-S78 PolarHBondContact O-N 3.45Å; E75-N79 PolarHBondContact O-N 3.42Å; E75-N79 PolarHBondContact O-ND2 3.02Å
76A96.6Very high94.7Very high22 Ų2260.8 Ų60.818%0.18231%0.312CS..Hα-helixtrans-62.7-38.8175.500000112.6L53 V64 A72 L73 S78 N79L53-A76 HydrophobicContact CD2-CB 3.88Å; V64-A76 HydrophobicContact CG2-CB 3.45Å; V64-A76 VanDerWaalsContact CG2-CB 3.45Å; A72-A76 WeakPolarHBondContact O-CB 3.12Å; A72-A76 PolarHBondContact O-N 3.27Å; L73-A76 PolarHBondContact O-N 2.84Å; A76-S78 VanDerWaalsContact C-N 3.25Å; A76-S78 PolarHBondContact O-N 2.9Å; A76-N79 PolarHBondContact O-N 3.26Å
77L94.9Very high94.4Very high3 Ų360 Ų602%0.01631%0.31CS..Hα-helixtrans-62.7-32.3174.9-72.5178.6000113.1V32 L35 F39 L53 L73 Q74 E75 N79 L80V32-L77 HydrophobicContact CG1-CB 4.21Å; L35-L77 HydrophobicContact CB-CD1 3.58Å; L35-L77 HydrophobicContact CD1-CD1 4.4Å; L35-L77 HydrophobicContact CD1-CD2 3.83Å; F39-L77 HydrophobicContact CD2-CD1 3.76Å; F39-L77 HydrophobicContact CE2-CD1 3.42Å; F39-L77 VanDerWaalsContact CE2-CD1 3.42Å; F39-L77 HydrophobicContact CE2-CG 4.03Å; F39-L77 HydrophobicContact CZ-CD1 4.5Å; L53-L77 HydrophobicContact CD1-CD2 4.03Å; L53-L77 HydrophobicContact CD2-CD2 3.78Å; L53-L77 HydrophobicContact CD2-CG 4.03Å; L73-L77 WeakPolarHBondContact O-CG 3.22Å; L73-L77 PolarHBondContact O-N 2.93Å; L73-L77 VanDerWaalsContact O-N 3.16Å; Q74-L77 PolarHBondContact O-N 3.22Å; E75-L77 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 3.25Å; L77-N79 PolarHBondContact O-N 3.44Å; L77-L80 HydrophobicContact CD2-CD1 3.94Å; L77-L80 WeakPolarHBondContact O-CG 3.36Å
78S91.6Very high94.3Very high86 Ų8658.9 Ų58.960%0.60130%0.302SS*.Hα-helixtrans-71.2-20.7-179.6-58.70000112.6Q74 E75 A76Q74-S78 PolarHBondContact O-N 3.34Å; Q74-S78 PolarHBondContact O-OG 3.29Å; Q74-S78 VanDerWaalsContact O-OG 3.07Å; E75-S78 WeakPolarHBondContact O-CB 3.42Å; E75-S78 PolarHBondContact O-N 3.45Å; A76-S78 VanDerWaalsContact C-N 3.25Å; A76-S78 PolarHBondContact O-N 2.9Å
79N91.7Very high94.2Very high116 Ų11655.2 Ų55.262%0.6229%0.29SS*.THydrogen-bonded Turntrans-108.220.6-175.7-64.6-52.5000113.3E75 A76 L77 E81E75-N79 PolarHBondContact O-N 3.42Å; E75-N79 PolarHBondContact O-ND2 3.02Å; A76-N79 PolarHBondContact O-N 3.26Å; L77-N79 PolarHBondContact O-N 3.44Å; N79-E81 PolarHBondContact O-N 2.95Å
80L92.5Very high94Very high19 Ų1954.7 Ų54.710%0.09929%0.286CS..PPolyproline II helixtrans-70120.7-179.1-70.1176.5000112.8M7 V9 K28 V32 A55 L63 L77M7-L80 HydrophobicContact CE-CD1 4.42Å; M7-L80 HydrophobicContact CG-CD1 3.97Å; V9-L80 HydrophobicContact CG1-CB 4.47Å; V9-L80 HydrophobicContact CG1-CD1 4.28Å; V9-L80 HydrophobicContact CG1-CD2 4.18Å; K28-L80 PolarHBondContact NZ-O 2.83Å; V32-L80 HydrophobicContact CG2-CD1 3.99Å; A55-L80 HydrophobicContact CB-CD2 4.35Å; L63-L80 HydrophobicContact CD1-CD2 3.31Å; L77-L80 HydrophobicContact CD2-CD1 3.94Å; L77-L80 WeakPolarHBondContact O-CG 3.36Å
81E92.3Very high93.9Very high124 Ų12454.3 Ų54.358%0.57929%0.285SS*.PPolyproline II helixtrans-75.8159.5170.9-62-174.7167.700112.2N79 Y83N79-E81 PolarHBondContact O-N 2.95Å; E81-Y83 HydrophobicContact CB-CD2 4.47Å; E81-Y83 HydrophobicContact CB-CE1 4.43Å; E81-Y83 HydrophobicContact CB-CE2 3.69Å; E81-Y83 WeakPolarHBondContact CB-OH 3.41Å; E81-Y83 PolarHBondContact OE2-OH 3.45Å
82D92.8Very high93.9Very high81 Ų8148.9 Ų48.943%0.43326%0.256SS..PPolyproline II helixtrans-98.8133.7175.2-61.8-50.1000110.4T14 K28T14-D82 HydrophobicContact CG2-CB 4.07Å; K28-D82 WeakPolarHBondContact CD-OD1 3.27Å; K28-D82 WeakPolarHBondContact CE-OD1 3.22Å; K28-D82 VanDerWaalsContact NZ-CG 3.31Å; K28-D82 IonicContact NZ-OD1 3.31Å; K28-D82 PolarHBondContact NZ-OD1 3.35Å; K28-D82 IonicContact NZ-OD2 2.84Å; K28-D82 PolarHBondContact NZ-OD2 3.42Å
83Y93.9Very high93.8Very high91 Ų9150.9 Ų50.936%0.35726%0.26SS..  trans-124.2-165.8-176.8-63.3-78.3000112.2V9 L11 S57 E81V9-Y83 HydrophobicContact CB-CD2 4.01Å; V9-Y83 HydrophobicContact CG2-CD2 3.48Å; V9-Y83 VanDerWaalsContact CG2-CD2 3.48Å; V9-Y83 HydrophobicContact CG2-CE2 4.05Å; V9-Y83 HydrophobicContact CG2-CG 4.5Å; V9-Y83 PolarHBondContact O-N 3.49Å; L11-Y83 WeakPolarHBondContact CA-O 3.48Å; L11-Y83 WeakPolarHBondContact CB-O 3.4Å; L11-Y83 PolarHBondContact N-O 3.31Å; S57-Y83 VanDerWaalsContact CB-CB 3.41Å; S57-Y83 WeakPolarHBondContact OG-CB 3.41Å; E81-Y83 HydrophobicContact CB-CD2 4.47Å; E81-Y83 HydrophobicContact CB-CE1 4.43Å; E81-Y83 HydrophobicContact CB-CE2 3.69Å; E81-Y83 WeakPolarHBondContact CB-OH 3.41Å; E81-Y83 PolarHBondContact OE2-OH 3.45Å
84D90.1Very high93.7Very high85 Ų8550.9 Ų50.946%0.45526%0.26SS..SBendtrans-89.9-85.3-163.961.2-15.1000115.1L11 S57 S58L11-D84 WeakPolarHBondContact CB-O 3.36Å; L11-D84 PolarHBondContact N-O 3.01Å; L11-D84 VanDerWaalsContact N-O 3.09Å; S57-D84 PolarHBondContact OG-N 3.27Å; S57-D84 VanDerWaalsContact OG-N 3.11Å; S57-D84 PolarHBondContact OG-OD1 3.45Å; S58-D84 WeakPolarHBondContact CB-OD1 3.19Å; S58-D84 WeakPolarHBondContact CB-OD2 3.13Å; S58-D84 PolarHBondContact N-OD1 2.97Å; S58-D84 VanDerWaalsContact OG-CG 3.3Å; S58-D84 PolarHBondContact OG-OD1 3.07Å; S58-D84 PolarHBondContact OG-OD2 2.77Å; S58-D84 VanDerWaalsContact OG-OD2 3.08Å
85K90.6Very high93.7Very high77 Ų7749 Ų4934%0.33525%0.251SS..  trans-126.6146.4-168.566168.1-169.5167.60111.7S57 S58 C87 K123S57-K85 CarbonylContact C-O 3.48Å; S57-K85 WeakPolarHBondContact CA-O 3.2Å; S57-K85 VanDerWaalsContact O-O 3.08Å; S57-K85 PolarHBondContact OG-N 3.19Å; S57-K85 PolarHBondContact OG-O 2.73Å; S58-K85 VanDerWaalsContact CA-O 3.32Å; S58-K85 WeakPolarHBondContact CA-O 3.36Å; S58-K85 PolarHBondContact N-O 3.23Å; K85-C87 PolarHBondContact O-N 2.61Å; K85-K123 PolarHBondContact NZ-O 3.2Å
86T91.9Very high93.6Very high7 Ų743.5 Ų43.54%0.04323%0.227CC..  trans-71.3126.6177.2-39.40000112.6S10 F56S10-T86 WeakPolarHBondContact CB-OG1 3.45Å; S10-T86 PolarHBondContact OG-OG1 3.15Å; S10-T86 VanDerWaalsContact OG-OG1 3.11Å; F56-T86 HydrophobicContact CD2-CG2 4.3Å; F56-T86 HydrophobicContact CE2-CG2 3.48Å; F56-T86 VanDerWaalsContact CE2-CG2 3.48Å; F56-T86 HydrophobicContact CZ-CG2 4.22Å
87C93.3Very high93.6Very high9 Ų945.6 Ų45.66%0.06124%0.24CC..  trans-12673.9169.1-88.80000110.7S57 K85 E89 L90 A91 G124S57-C87 WeakPolarHBondContact O-CB 3.48Å; S57-C87 PolarHBondContact O-N 3.36Å; K85-C87 PolarHBondContact O-N 2.61Å; C87-E89 VanDerWaalsContact C-N 3.32Å; C87-E89 PolarHBondContact O-N 2.63Å; C87-L90 HydrophobicContact CB-CD1 4.23Å; C87-L90 PolarHBondContact O-N 3.11Å; C87-A91 PolarHBondContact O-N 3.09Å; C87-G124 WeakPolarHBondContact CA-O 3.34Å
88L94.1Very high93.6Very high10 Ų1046 Ų465%0.05224%0.243CC..Hα-helixtrans-61.9-36.1-173.4-174.261.1000113.4L6 F56 L90 A91 L92 L113 L126 L175L6-L88 HydrophobicContact CD2-CD1 4.09Å; F56-L88 HydrophobicContact CD2-CD1 4.49Å; F56-L88 HydrophobicContact CE1-CD1 4.49Å; F56-L88 HydrophobicContact CE2-CB 4.19Å; F56-L88 HydrophobicContact CE2-CD1 3.7Å; F56-L88 HydrophobicContact CZ-CD1 3.73Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 PolarHBondContact O-N 3.31Å; L88-A91 WeakPolarHBondContact O-CB 3.43Å; L88-A91 PolarHBondContact O-N 3Å; L88-A91 VanDerWaalsContact O-N 3.15Å; L88-L92 HydrophobicContact CD1-CD2 4.45Å; L88-L92 HydrophobicContact CD1-CG 4.29Å; L88-L92 HydrophobicContact CG-CD1 4.07Å; L88-L92 HydrophobicContact CG-CG 4.16Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 3.08Å; L88-L113 HydrophobicContact CD1-CD1 3.87Å; L88-L113 HydrophobicContact CD1-CD2 3.92Å; L88-L113 HydrophobicContact CD2-CD2 4.02Å; L88-L126 HydrophobicContact CD2-CD1 4.24Å; L88-L126 HydrophobicContact CD2-CD2 3.89Å; L88-L175 HydrophobicContact CD2-CD2 3.61Å
89E93.6Very high93.8Very high26 Ų2641.9 Ų41.912%0.12121%0.214CC..Hα-helixtrans-59.4-41.6-179.6-173.5-176.9158.600112.8C87 A91 L92 Q93 S129 R136 F142 P143C87-E89 VanDerWaalsContact C-N 3.32Å; C87-E89 PolarHBondContact O-N 2.63Å; E89-A91 VanDerWaalsContact C-N 3.34Å; E89-L92 PolarHBondContact O-N 3.09Å; E89-Q93 PolarHBondContact O-N 2.99Å; E89-S129 WeakPolarHBondContact OE2-CB 3.36Å; E89-S129 PolarHBondContact OE2-OG 2.67Å; E89-R136 IonicContact OE1-CZ 3.53Å; E89-R136 IonicContact OE1-NH1 3.08Å; E89-R136 PolarHBondContact OE1-NH1 2.82Å; E89-R136 IonicContact OE1-NH2 2.81Å; E89-R136 IonicContact OE2-CZ 3.02Å; E89-R136 IonicContact OE2-NH1 2.87Å; E89-R136 PolarHBondContact OE2-NH1 2.8Å; E89-R136 IonicContact OE2-NH2 3.39Å; E89-R136 PolarHBondContact OE2-NH2 3.35Å; E89-F142 HydrophobicContact CB-CE2 4.23Å; E89-F142 HydrophobicContact CG-CD2 3.91Å; E89-F142 HydrophobicContact CG-CE2 3.76Å; E89-P143 HydrophobicContact CG-CG 3.85Å; E89-P143 WeakPolarHBondContact O-CG 3.28Å
90L92.6Very high94Very high66 Ų6639.9 Ų39.935%0.34620%0.201SC..Hα-helixtrans-67.4-38.9177.8-69.6178.6000111.1W60 C87 L88 Q93 G94W60-L90 PolarHBondContact NE1-O 2.67Å; C87-L90 HydrophobicContact CB-CD1 4.23Å; C87-L90 PolarHBondContact O-N 3.11Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 PolarHBondContact O-N 3.31Å; L90-Q93 VanDerWaalsContact O-CB 3.25Å; L90-Q93 WeakPolarHBondContact O-CB 3.49Å; L90-Q93 PolarHBondContact O-N 3.24Å; L90-G94 PolarHBondContact O-N 3.1Å
91A95.3Very high94.1Very high0 Ų046.8 Ų46.80%023%0.233CC..Hα-helixtrans-63.1-43.4176.400000111.8L6 F56 W60 C87 L88 E89 Q93 G94 V95L6-A91 HydrophobicContact CD1-CB 4Å; L6-A91 HydrophobicContact CD2-CB 3.8Å; L6-A91 HydrophobicContact CG-CB 4.45Å; F56-A91 HydrophobicContact CB-CB 3.59Å; F56-A91 HydrophobicContact CD1-CB 4.31Å; F56-A91 HydrophobicContact CD2-CB 3.72Å; F56-A91 HydrophobicContact CE2-CB 4.5Å; F56-A91 HydrophobicContact CG-CB 3.61Å; W60-A91 HydrophobicContact CB-CB 4.27Å; C87-A91 PolarHBondContact O-N 3.09Å; L88-A91 WeakPolarHBondContact O-CB 3.43Å; L88-A91 PolarHBondContact O-N 3Å; L88-A91 VanDerWaalsContact O-N 3.15Å; E89-A91 VanDerWaalsContact C-N 3.34Å; A91-Q93 VanDerWaalsContact C-N 3.31Å; A91-Q93 PolarHBondContact O-N 3.36Å; A91-G94 WeakPolarHBondContact O-CA 3.42Å; A91-G94 PolarHBondContact O-N 2.89Å; A91-V95 WeakPolarHBondContact O-CG2 3.33Å; A91-V95 PolarHBondContact O-N 2.81Å
92L95.8Very high94.2Very high0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-63.8-36.4175.4-63.8172.5000112L88 E89 G94 V95 S96 F142 P143 L144 Y146 M152 L175L88-L92 HydrophobicContact CD1-CD2 4.45Å; L88-L92 HydrophobicContact CD1-CG 4.29Å; L88-L92 HydrophobicContact CG-CD1 4.07Å; L88-L92 HydrophobicContact CG-CG 4.16Å; L88-L92 VanDerWaalsContact O-CG 3.3Å; L88-L92 WeakPolarHBondContact O-CG 3.43Å; L88-L92 PolarHBondContact O-N 3.08Å; E89-L92 PolarHBondContact O-N 3.09Å; L92-G94 VanDerWaalsContact C-N 3.34Å; L92-V95 PolarHBondContact O-N 3.39Å; L92-S96 PolarHBondContact O-N 3.26Å; L92-S96 VanDerWaalsContact O-N 3.08Å; L92-F142 HydrophobicContact CD1-CZ 4.49Å; L92-P143 HydrophobicContact CB-CB 3.9Å; L92-P143 HydrophobicContact CB-CG 3.94Å; L92-L144 HydrophobicContact CD1-CD1 4.2Å; L92-L144 HydrophobicContact CD1-CG 4.36Å; L92-Y146 WeakPolarHBondContact CD2-OH 3.15Å; L92-Y146 WeakPolarHBondContact O-CE1 3.42Å; L92-Y146 PolarHBondContact O-OH 3.43Å; L92-M152 HydrophobicContact CD2-CE 3.5Å; L92-M152 VanDerWaalsContact CD2-CE 3.5Å; L92-L175 HydrophobicContact CD1-CD1 3.74Å; L92-L175 HydrophobicContact CD1-CD2 4.47Å
93Q94.7Very high94.2Very high74 Ų7446.4 Ų46.435%0.34623%0.225SC..Hα-helixtrans-57.9-46.4168.2-102.2156.333.400111.5E89 L90 A91 S96 S97 P143E89-Q93 PolarHBondContact O-N 2.99Å; L90-Q93 VanDerWaalsContact O-CB 3.25Å; L90-Q93 WeakPolarHBondContact O-CB 3.49Å; L90-Q93 PolarHBondContact O-N 3.24Å; A91-Q93 VanDerWaalsContact C-N 3.31Å; A91-Q93 PolarHBondContact O-N 3.36Å; Q93-S96 WeakPolarHBondContact O-CB 3.18Å; Q93-S96 PolarHBondContact O-N 2.57Å; Q93-S97 PolarHBondContact O-N 2.73Å; Q93-S97 PolarHBondContact O-OG 3.2Å; Q93-P143 HydrophobicContact CB-CG 4.46Å; Q93-P143 HydrophobicContact CG-CB 4.27Å; Q93-P143 HydrophobicContact CG-CG 3.9Å
94G96.1Very high94.1Very high0 Ų043.4 Ų43.40%022%0.221CC..Hα-helixtrans-58.2-46.8175.900000112.9W60 L90 A91 L92 S96 S97 V98W60-G94 VanDerWaalsContact CE2-CA 3.41Å; L90-G94 PolarHBondContact O-N 3.1Å; A91-G94 WeakPolarHBondContact O-CA 3.42Å; A91-G94 PolarHBondContact O-N 2.89Å; L92-G94 VanDerWaalsContact C-N 3.34Å; G94-S96 VanDerWaalsContact C-N 3.27Å; G94-S96 PolarHBondContact O-N 2.95Å; G94-S97 PolarHBondContact O-N 3.46Å; G94-S97 VanDerWaalsContact O-N 3.13Å; G94-V98 WeakPolarHBondContact O-CG2 3.47Å; G94-V98 PolarHBondContact O-N 3.2Å
95V96.9Very high94.1Very high0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-55-46.2174.9173.80000110.4V4 L6 M54 A91 L92 S97 V98 V99 V111 Y146V4-V95 HydrophobicContact CB-CG1 4.39Å; V4-V95 HydrophobicContact CG1-CG1 4.29Å; V4-V95 HydrophobicContact CG1-CG2 4.05Å; V4-V95 HydrophobicContact CG2-CG1 4.46Å; L6-V95 HydrophobicContact CD2-CG2 4.22Å; M54-V95 HydrophobicContact CE-CG2 4.32Å; M54-V95 HydrophobicContact SD-CG2 3.89Å; A91-V95 WeakPolarHBondContact O-CG2 3.33Å; A91-V95 PolarHBondContact O-N 2.81Å; L92-V95 PolarHBondContact O-N 3.39Å; V95-S97 VanDerWaalsContact C-N 3.35Å; V95-S97 PolarHBondContact O-N 3.15Å; V95-V98 PolarHBondContact O-N 3.37Å; V95-V99 HydrophobicContact CG1-CG2 4.31Å; V95-V99 VanDerWaalsContact O-CG2 3.29Å; V95-V99 WeakPolarHBondContact O-CG2 3.42Å; V95-V99 PolarHBondContact O-N 3.04Å; V95-V111 HydrophobicContact CG1-CG1 4.49Å; V95-V111 HydrophobicContact CG1-CG2 3.73Å; V95-Y146 HydrophobicContact CB-CE1 4.29Å; V95-Y146 WeakPolarHBondContact CB-OH 3.43Å; V95-Y146 HydrophobicContact CG1-CE1 4.12Å
96S95.3Very high93.7Very high17 Ų1743.1 Ų43.112%0.11924%0.24CC..Hα-helixtrans-59.5-44.8178.2-163.50000111.9L92 Q93 G94 Q100L92-S96 PolarHBondContact O-N 3.26Å; L92-S96 VanDerWaalsContact O-N 3.08Å; Q93-S96 WeakPolarHBondContact O-CB 3.18Å; Q93-S96 PolarHBondContact O-N 2.57Å; G94-S96 VanDerWaalsContact C-N 3.27Å; G94-S96 PolarHBondContact O-N 2.95Å; S96-Q100 WeakPolarHBondContact O-CB 3.45Å; S96-Q100 WeakPolarHBondContact O-CG 3.49Å; S96-Q100 PolarHBondContact O-N 3.06Å; S96-Q100 VanDerWaalsContact O-N 3.1Å; S96-Q100 PolarHBondContact O-NE2 2.86Å; S96-Q100 PolarHBondContact OG-NE2 3.15Å
97S94.9Very high93.4Very high66 Ų6644.2 Ų44.246%0.46225%0.247SC..Hα-helixtrans-64.2-46.9177.9-62.10000112.6Q93 G94 V95 Q101Q93-S97 PolarHBondContact O-N 2.73Å; Q93-S97 PolarHBondContact O-OG 3.2Å; G94-S97 PolarHBondContact O-N 3.46Å; G94-S97 VanDerWaalsContact O-N 3.13Å; V95-S97 VanDerWaalsContact C-N 3.35Å; V95-S97 PolarHBondContact O-N 3.15Å; S97-Q101 VanDerWaalsContact O-CB 3.24Å; S97-Q101 WeakPolarHBondContact O-CB 3.47Å; S97-Q101 PolarHBondContact O-N 3.21Å
98V96.4Very high93.1Very high12 Ų1246.5 Ų46.57%0.07326%0.262CS..Hα-helixtrans-64.3-43.8-177.9171.50000111.3M54 W60 L62 F66 G94 V95 E102M54-V98 HydrophobicContact CE-CG2 4.4Å; M54-V98 HydrophobicContact SD-CB 4.45Å; M54-V98 HydrophobicContact SD-CG2 4.15Å; W60-V98 HydrophobicContact CH2-CG2 4.49Å; W60-V98 HydrophobicContact CZ3-CG2 4.37Å; L62-V98 HydrophobicContact CD1-CG1 4.24Å; L62-V98 HydrophobicContact CD1-CG2 4.35Å; L62-V98 HydrophobicContact CD2-CG1 4.41Å; L62-V98 HydrophobicContact CD2-CG2 4.14Å; F66-V98 HydrophobicContact CD2-CG1 4.26Å; F66-V98 HydrophobicContact CE2-CG1 3.74Å; F66-V98 HydrophobicContact CZ-CG1 4.45Å; G94-V98 WeakPolarHBondContact O-CG2 3.47Å; G94-V98 PolarHBondContact O-N 3.2Å; V95-V98 PolarHBondContact O-N 3.37Å; V98-E102 PolarHBondContact O-N 3.15Å
99V96.1Very high93.1Very high0 Ų046.1 Ų46.10%026%0.26CS..Hα-helixtrans-67-47.5179175.60000111.3V4 F66 V95 Q101 E102 W103 G104 C109 F148V4-V99 HydrophobicContact CG2-CG2 3.77Å; F66-V99 HydrophobicContact CZ-CG2 4.12Å; V95-V99 HydrophobicContact CG1-CG2 4.31Å; V95-V99 VanDerWaalsContact O-CG2 3.29Å; V95-V99 WeakPolarHBondContact O-CG2 3.42Å; V95-V99 PolarHBondContact O-N 3.04Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 3.05Å; V99-E102 PolarHBondContact O-N 3.26Å; V99-W103 PolarHBondContact O-N 2.88Å; V99-G104 PolarHBondContact O-N 3.49Å; V99-C109 HydrophobicContact CG1-CB 4.16Å; V99-C109 HydrophobicContact CG2-CB 4.45Å; V99-F148 HydrophobicContact CB-CD1 4.22Å; V99-F148 HydrophobicContact CB-CE1 3.61Å; V99-F148 HydrophobicContact CB-CE2 4.13Å; V99-F148 HydrophobicContact CB-CZ 3.57Å; V99-F148 HydrophobicContact CG1-CD1 3.71Å; V99-F148 HydrophobicContact CG1-CD2 3.87Å; V99-F148 HydrophobicContact CG1-CE1 3.6Å; V99-F148 HydrophobicContact CG1-CE2 3.77Å; V99-F148 HydrophobicContact CG1-CG 3.87Å; V99-F148 HydrophobicContact CG1-CZ 3.65Å; V99-F148 HydrophobicContact CG2-CE1 4.34Å; V99-F148 HydrophobicContact CG2-CE2 4.13Å; V99-F148 HydrophobicContact CG2-CZ 3.78Å
100Q94.5Very high93.2Very high74 Ų7444.9 Ų44.935%0.34626%0.255SS..Hα-helixtrans-65-35.6-178.4-71.518051.700112.6S96 E102 G104 N105 P147 F148S96-Q100 WeakPolarHBondContact O-CB 3.45Å; S96-Q100 WeakPolarHBondContact O-CG 3.49Å; S96-Q100 PolarHBondContact O-N 3.06Å; S96-Q100 VanDerWaalsContact O-N 3.1Å; S96-Q100 PolarHBondContact O-NE2 2.86Å; S96-Q100 PolarHBondContact OG-NE2 3.15Å; Q100-E102 VanDerWaalsContact C-N 3.34Å; Q100-G104 VanDerWaalsContact O-CA 3.31Å; Q100-G104 WeakPolarHBondContact O-CA 3.33Å; Q100-G104 PolarHBondContact O-N 3.24Å; Q100-G104 VanDerWaalsContact O-N 3.11Å; Q100-N105 WeakPolarHBondContact CG-OD1 3.48Å; Q100-P147 HydrophobicContact CG-CG 4.24Å; Q100-F148 HydrophobicContact CG-CD1 4.11Å; Q100-F148 HydrophobicContact CG-CE1 4.18Å
101Q94.8Very high93.4Very high164 Ų16441.8 Ų41.877%0.76624%0.238SC*.Hα-helixtrans-65-37.4179.2-178.5175.1-18.300112.3S97 V99S97-Q101 VanDerWaalsContact O-CB 3.24Å; S97-Q101 WeakPolarHBondContact O-CB 3.47Å; S97-Q101 PolarHBondContact O-N 3.21Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 3.05Å
102E94.9Very high93.6Very high114 Ų11441.8 Ų41.853%0.53324%0.238SC..Hα-helixtrans-95.4-41.2-175.1-74.6-7317400113.2F66 V98 V99 Q100F66-E102 HydrophobicContact CD2-CB 3.91Å; F66-E102 HydrophobicContact CD2-CG 3.95Å; F66-E102 HydrophobicContact CE2-CB 4.19Å; F66-E102 HydrophobicContact CE2-CG 4.49Å; V98-E102 PolarHBondContact O-N 3.15Å; V99-E102 PolarHBondContact O-N 3.26Å; Q100-E102 VanDerWaalsContact C-N 3.34Å
103W92.6Very high93.7Very high83 Ų8341.8 Ų41.831%0.31424%0.238SC..Hα-helixtrans-117.5-7.3-170.1-53.8104.7000114.2P2 F50 F66 V99 C107P2-W103 HydrophobicContact CB-CZ2 4.41Å; P2-W103 HydrophobicContact CG-CD2 4.12Å; P2-W103 HydrophobicContact CG-CG 3.99Å; F50-W103 HydrophobicContact CB-CH2 4.4Å; F50-W103 HydrophobicContact CB-CZ2 3.77Å; F50-W103 HydrophobicContact CD1-CZ2 4.27Å; F50-W103 AromaticContact CD2-CH2 3.46Å; F50-W103 HydrophobicContact CD2-CH2 3.46Å; F50-W103 VanDerWaalsContact CD2-CH2 3.46Å; F50-W103 AromaticContact CD2-CZ2 3.72Å; F50-W103 HydrophobicContact CD2-CZ2 3.72Å; F50-W103 AromaticContact CE2-CH2 3.69Å; F50-W103 HydrophobicContact CE2-CH2 3.69Å; F50-W103 HydrophobicContact CE2-CZ2 4.33Å; F50-W103 AromaticContact CG-CH2 3.89Å; F50-W103 HydrophobicContact CG-CH2 3.89Å; F50-W103 AromaticContact CG-CZ2 3.67Å; F50-W103 HydrophobicContact CG-CZ2 3.67Å; F50-W103 HydrophobicContact CZ-CH2 4.33Å; F66-W103 HydrophobicContact CB-CZ2 4.42Å; F66-W103 AromaticContact CD1-NE1 3.75Å; F66-W103 AromaticContact CD2-CD1 3.96Å; F66-W103 AromaticContact CD2-NE1 3.28Å; F66-W103 VanDerWaalsContact CD2-NE1 3.28Å; F66-W103 AromaticContact CE1-NE1 3.79Å; F66-W103 AromaticContact CE2-CD1 3.55Å; F66-W103 AromaticContact CE2-NE1 3.29Å; F66-W103 VanDerWaalsContact CE2-NE1 3.29Å; F66-W103 HydrophobicContact CG-CZ2 4.43Å; F66-W103 AromaticContact CG-NE1 3.5Å; F66-W103 AromaticContact CZ-CD1 3.82Å; F66-W103 AromaticContact CZ-NE1 3.55Å; V99-W103 PolarHBondContact O-N 2.88Å; W103-C107 HydrophobicContact CB-CB 3.65Å
104G91.9Very high93.9Very high27 Ų2738.2 Ų38.228%0.27822%0.222SC..  trans67-157.3-17400000113.2V99 Q100V99-G104 PolarHBondContact O-N 3.49Å; Q100-G104 VanDerWaalsContact O-CA 3.31Å; Q100-G104 WeakPolarHBondContact O-CA 3.33Å; Q100-G104 PolarHBondContact O-N 3.24Å; Q100-G104 VanDerWaalsContact O-N 3.11Å
105N89.1Confident93.9Very high87 Ų8738.5 Ų38.547%0.46522%0.224SC..SBendtrans-96.9-12.7-172.2-62.4-2.1000113.9Q100 F148Q100-N105 WeakPolarHBondContact CG-OD1 3.48Å; N105-F148 WeakPolarHBondContact O-CA 3.23Å; N105-F148 WeakPolarHBondContact O-CB 3.35Å
106G82.3Confident93.7Very high69 Ų6938.6 Ų38.671%0.71122%0.224SC*.SBendtrans-94.1-9.4-174.100000114.6P108G106-P108 WeakPolarHBondContact O-CD 3.41Å
107C85.6Confident93.5Very high30 Ų3038 Ų3820%0.20322%0.221CC..SBendtrans-90.3120.4-176.7-167.10000110P2 W103 C109P2-C107 VanDerWaalsContact CD-SG 3.56Å; W103-C107 HydrophobicContact CB-CB 3.65Å; C107-C109 PolarHBondContact O-N 3.32Å
108P88.5Confident93.3Very high58 Ų5836.9 Ų36.938%0.37721%0.213SC..  trans-60.1138.2172.3-22.533.6000110.7M1 P2 G106 P149M1-P108 CarbonylContact C-O 3.51Å; M1-P108 WeakPolarHBondContact CA-O 3.43Å; M1-P108 HydrophobicContact CB-CB 4.24Å; M1-P108 WeakPolarHBondContact CB-O 3.25Å; M1-P108 HydrophobicContact CG-CB 4Å; M1-P108 VanDerWaalsContact CG-O 3.28Å; M1-P108 WeakPolarHBondContact CG-O 3.4Å; M1-P108 HydrophobicContact SD-CB 4.03Å; P2-P108 VanDerWaalsContact CD-O 3.25Å; P2-P108 WeakPolarHBondContact CD-O 3.32Å; G106-P108 WeakPolarHBondContact O-CD 3.41Å; P108-P149 CarbonylContact C-O 3.53Å; P108-P149 VanDerWaalsContact CA-O 3.26Å; P108-P149 WeakPolarHBondContact CA-O 3.28Å; P108-P149 HydrophobicContact CB-CB 4.13Å; P108-P149 HydrophobicContact CG-CB 4.29Å; P108-P149 HydrophobicContact CG-CG 4.4Å
109C93.3Very high92.8Very high1 Ų137.2 Ų37.21%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-131.1148.9-178.8-168.90000111.3P2 V99 C107 F148 P149 T150 K151P2-C109 HydrophobicContact CG-CB 4.48Å; P2-C109 CarbonylContact O-C 3.57Å; P2-C109 WeakPolarHBondContact O-CA 3.32Å; P2-C109 PolarHBondContact O-SG 3.36Å; P2-C109 VanDerWaalsContact O-SG 3.35Å; V99-C109 HydrophobicContact CG1-CB 4.16Å; V99-C109 HydrophobicContact CG2-CB 4.45Å; C107-C109 PolarHBondContact O-N 3.32Å; C109-F148 HydrophobicContact CB-CD2 3.89Å; C109-F148 HydrophobicContact CB-CE2 3.9Å; C109-P149 PolarHBondContact N-O 3.05Å; C109-T150 VanDerWaalsContact O-CA 3.23Å; C109-T150 WeakPolarHBondContact O-CA 3.17Å; C109-K151 PolarHBondContact O-N 3.21Å
110Q95.3Very high92.2Very high1 Ų138.1 Ų38.11%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-105.7134.7171.4-55.1-17861.400109.3M1 P2 T3 V4 K151 Y209M1-Q110 VanDerWaalsContact CE-CD 3.5Å; M1-Q110 HydrophobicContact CE-CG 3.73Å; M1-Q110 HydrophobicContact CG-CG 3.81Å; M1-Q110 HydrophobicContact SD-CG 3.85Å; P2-Q110 PolarHBondContact O-N 2.92Å; T3-Q110 CarbonylContact C-O 3.55Å; T3-Q110 WeakPolarHBondContact CA-O 3.3Å; V4-Q110 PolarHBondContact N-O 3.5Å; Q110-K151 CarbonylContact C-O 3.25Å; Q110-K151 WeakPolarHBondContact CA-O 3.01Å; Q110-K151 HydrophobicContact CG-CB 4.47Å; Q110-Y209 PolarHBondContact OE1-OH 3.06Å
111V97.6Very high91.5Very high0 Ų041.2 Ų41.20%024%0.241CC..EExtended strand (participates in β ladder)trans-114.3118.1175.2179.60000108.2V4 V95 Y146 T150 K151 M152 F153V4-V111 WeakPolarHBondContact O-CA 3.28Å; V95-V111 HydrophobicContact CG1-CG1 4.49Å; V95-V111 HydrophobicContact CG1-CG2 3.73Å; V111-Y146 HydrophobicContact CG2-CE2 4.13Å; V111-T150 HydrophobicContact CB-CG2 4.37Å; V111-T150 HydrophobicContact CG2-CG2 3.7Å; V111-K151 PolarHBondContact N-O 3.08Å; V111-M152 HydrophobicContact CG1-CE 4.43Å; V111-F153 PolarHBondContact O-N 2.76Å
112V98.4Very high91Very high0 Ų035.8 Ų35.80%023%0.229CC..EExtended strand (participates in β ladder)trans-10796.1178.9-178.40000108.1T3 V4 V5 L6 V114 F153 L155 L204 Y209T3-V112 HydrophobicContact CG2-CG2 3.98Å; V4-V112 PolarHBondContact O-N 2.87Å; V5-V112 WeakPolarHBondContact CA-O 3.26Å; V5-V112 HydrophobicContact CG2-CB 4.35Å; L6-V112 PolarHBondContact N-O 3.15Å; V112-V114 HydrophobicContact CG1-CG2 4.26Å; V112-F153 CarbonylContact C-O 3.54Å; V112-F153 WeakPolarHBondContact CA-O 3.47Å; V112-L155 HydrophobicContact CG1-CD1 3.48Å; V112-L155 VanDerWaalsContact CG1-CD1 3.48Å; V112-L204 HydrophobicContact CG1-CD2 4.02Å; V112-L204 HydrophobicContact CG2-CD2 4.47Å; V112-Y209 WeakPolarHBondContact CG2-OH 3.36Å
113L98.3Very high90.2Very high0 Ų038.8 Ų38.80%024%0.24CC..EExtended strand (participates in β ladder)trans-86.7120.1176.9170.260.4000109.7L6 F56 L88 T115 M152 F153 I154 L155 L175L6-L113 HydrophobicContact CB-CD1 4.37Å; L6-L113 HydrophobicContact CD2-CD1 3.99Å; L6-L113 HydrophobicContact CG-CD1 4.11Å; L6-L113 WeakPolarHBondContact O-CA 3.13Å; F56-L113 HydrophobicContact CE1-CD1 3.68Å; F56-L113 HydrophobicContact CZ-CD1 3.73Å; L88-L113 HydrophobicContact CD1-CD1 3.87Å; L88-L113 HydrophobicContact CD1-CD2 3.92Å; L88-L113 HydrophobicContact CD2-CD2 4.02Å; L113-T115 HydrophobicContact CD1-CG2 4.43Å; L113-T115 HydrophobicContact CD2-CG2 4.45Å; L113-T115 HydrophobicContact CG-CG2 4.19Å; L113-M152 HydrophobicContact CD2-CE 4.44Å; L113-F153 PolarHBondContact N-O 3.41Å; L113-I154 HydrophobicContact CB-CG1 4.4Å; L113-I154 HydrophobicContact CD2-CD1 4.43Å; L113-I154 HydrophobicContact CD2-CG1 4.21Å; L113-I154 HydrophobicContact CD2-CG2 4.06Å; L113-I154 HydrophobicContact CG-CG2 4.3Å; L113-I154 CarbonylContact O-C 3.54Å; L113-I154 WeakPolarHBondContact O-CA 3.39Å; L113-L155 PolarHBondContact O-N 3.32Å; L113-L175 HydrophobicContact CD2-CD2 4.4Å
114V98.3Very high89.6Confident0 Ų035.8 Ų35.80%024%0.235CC..EExtended strand (participates in β ladder)trans-112.8116.5175.2-1720000109.1L6 M7 D8 A31 L35 V112 L155 I157 F201L6-V114 PolarHBondContact O-N 2.93Å; M7-V114 HydrophobicContact SD-CB 4Å; M7-V114 HydrophobicContact SD-CG1 4.02Å; D8-V114 VanDerWaalsContact CB-O 3.28Å; D8-V114 WeakPolarHBondContact CB-O 3.41Å; D8-V114 PolarHBondContact N-O 3.4Å; A31-V114 HydrophobicContact CB-CG1 3.68Å; L35-V114 HydrophobicContact CD1-CG2 4.25Å; L35-V114 HydrophobicContact CD2-CG2 3.96Å; L35-V114 HydrophobicContact CG-CG2 4.21Å; V112-V114 HydrophobicContact CG1-CG2 4.26Å; V114-L155 WeakPolarHBondContact CA-O 3.48Å; V114-L155 HydrophobicContact CG2-CB 4.41Å; V114-I157 HydrophobicContact CG1-CD1 4.16Å; V114-I157 HydrophobicContact CG1-CG1 4.15Å; V114-F201 HydrophobicContact CG1-CZ 4.36Å; V114-F201 HydrophobicContact CG2-CZ 4.09Å
115T96.5Very high89.5Confident6 Ų634.9 Ų34.94%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-150.1165.7-177.3178.80000110.2D8 L113 G117 L155 C156 I157D8-T115 PolarHBondContact OD2-OG1 3.25Å; L113-T115 HydrophobicContact CD1-CG2 4.43Å; L113-T115 HydrophobicContact CD2-CG2 4.45Å; L113-T115 HydrophobicContact CG-CG2 4.19Å; T115-G117 VanDerWaalsContact C-N 3.28Å; T115-G117 PolarHBondContact OG1-N 3.3Å; T115-L155 PolarHBondContact N-O 2.98Å; T115-L155 VanDerWaalsContact N-O 3.1Å; T115-C156 CarbonylContact O-C 3.57Å; T115-C156 VanDerWaalsContact O-CA 3.24Å; T115-C156 WeakPolarHBondContact O-CA 3.46Å; T115-I157 PolarHBondContact O-N 3.48Å
116D94.3Very high89.7Confident2 Ų230.9 Ų30.91%0.01120%0.203CC..  trans-87.93.817166.3-6.8000113.1S12 M13 R15 S118 A158S12-D116 WeakPolarHBondContact CB-OD2 3.48Å; S12-D116 PolarHBondContact OG-OD1 3.44Å; S12-D116 PolarHBondContact OG-OD2 2.91Å; M13-D116 HydrophobicContact SD-CB 3.52Å; M13-D116 VanDerWaalsContact SD-CB 3.52Å; M13-D116 PolarHBondContact SD-N 3.48Å; R15-D116 IonicContact CZ-OD2 2.96Å; R15-D116 IonicContact NE-OD2 2.81Å; R15-D116 PolarHBondContact NE-OD2 3.39Å; R15-D116 VanDerWaalsContact NH2-CG 3.32Å; R15-D116 IonicContact NH2-OD2 2.81Å; R15-D116 PolarHBondContact NH2-OD2 3.02Å; D116-S118 VanDerWaalsContact C-N 3.32Å; D116-S118 WeakPolarHBondContact OD1-CB 3.32Å; D116-S118 PolarHBondContact OD1-N 3.05Å; D116-A158 WeakPolarHBondContact O-CB 3.42Å
117G90.3Very high90.1Very high5 Ų532.3 Ų32.35%0.05219%0.187CC..  trans83.35.4-177.800000114T115 L119 A168T115-G117 VanDerWaalsContact C-N 3.28Å; T115-G117 PolarHBondContact OG1-N 3.3Å; G117-L119 PolarHBondContact O-N 3.29Å; G117-L119 VanDerWaalsContact O-N 3.15Å; G117-A168 VanDerWaalsContact O-CB 3.22Å; G117-A168 WeakPolarHBondContact O-CB 3.48Å
118S89.6Confident90.3Very high41 Ų4134.2 Ų34.229%0.28719%0.193SC..  trans-64.3114172.2-178.50000110.5S12 D116 G120S12-S118 WeakPolarHBondContact OG-CB 3.35Å; S12-S118 PolarHBondContact OG-OG 3.31Å; D116-S118 VanDerWaalsContact C-N 3.32Å; D116-S118 WeakPolarHBondContact OD1-CB 3.32Å; D116-S118 PolarHBondContact OD1-N 3.05Å; S118-G120 PolarHBondContact O-N 3.34Å
119L86.2Confident90.5Very high20 Ų2031.5 Ų31.511%0.10518%0.176CC..  trans-75.1-2.8-177.2-56.4-175.9000113.7G117 S125 L126 R127 D167 A168 N171G117-L119 PolarHBondContact O-N 3.29Å; G117-L119 VanDerWaalsContact O-N 3.15Å; L119-S125 CarbonylContact O-C 3.58Å; L119-S125 WeakPolarHBondContact O-CA 3.33Å; L119-S125 WeakPolarHBondContact O-CB 3.45Å; L119-L126 HydrophobicContact CB-CB 4.31Å; L119-L126 HydrophobicContact CD2-CB 4.2Å; L119-L126 HydrophobicContact CD2-CD2 3.86Å; L119-L126 HydrophobicContact CD2-CG 4.44Å; L119-L126 PolarHBondContact O-N 2.88Å; L119-R127 HydrophobicContact CD1-CB 4.23Å; L119-D167 WeakPolarHBondContact CD1-OD1 2.85Å; L119-A168 HydrophobicContact CD2-CB 4.21Å; L119-A168 HydrophobicContact CG-CB 4.23Å; L119-N171 HydrophobicContact CD1-CB 3.84Å; L119-N171 WeakPolarHBondContact CD1-ND2 3.24Å; L119-N171 HydrophobicContact CD2-CB 3.96Å
120G84.1Confident90.4Very high19 Ų1932.3 Ų32.320%0.19618%0.18CC..  trans73.3178.2-169.600000113.5S118 S125S118-G120 PolarHBondContact O-N 3.34Å; G120-S125 VanDerWaalsContact C-CB 3.41Å; G120-S125 VanDerWaalsContact O-CB 3.29Å; G120-S125 WeakPolarHBondContact O-CB 3.36Å
121I79.6Confident90.1Very high139 Ų13938.6 Ų38.671%0.71321%0.209SC*.SBendtrans-124.3138.9-177.555.2169.7000112.9
122G84.5Confident89.7Confident50 Ų5040.3 Ų40.352%0.51522%0.219SC..SBendtrans67.3-143.4172.500000114.4G124 S125 H128G122-G124 PolarHBondContact O-N 3Å; G122-S125 WeakPolarHBondContact O-CB 3.17Å; G122-S125 PolarHBondContact O-N 3.42Å; G122-S125 VanDerWaalsContact O-N 3.15Å; G122-S125 PolarHBondContact O-OG 3.4Å; G122-H128 WeakPolarHBondContact O-CB 3.48Å
123K77.7Confident89.1Confident176 Ų17642.6 Ų42.677%0.76523%0.231SC*.THydrogen-bonded Turntrans-68.2116.1177.5-67.5-176.4-179.2179.50109.6K85K85-K123 PolarHBondContact NZ-O 3.2Å
124G79.9Confident88.3Confident21 Ų2152 Ų5222%0.21627%0.272CS..THydrogen-bonded Turntrans110-13.7-174.900000114.3C87 G122C87-G124 WeakPolarHBondContact CA-O 3.34Å; G122-G124 PolarHBondContact O-N 3Å
125S90.6Very high87.5Confident8 Ų860 Ų606%0.05631%0.309CS..  trans-65.9146.9172.263.50000111.7L119 G120 G122 R127 H128 S129L119-S125 CarbonylContact O-C 3.58Å; L119-S125 WeakPolarHBondContact O-CA 3.33Å; L119-S125 WeakPolarHBondContact O-CB 3.45Å; G120-S125 VanDerWaalsContact C-CB 3.41Å; G120-S125 VanDerWaalsContact O-CB 3.29Å; G120-S125 WeakPolarHBondContact O-CB 3.36Å; G122-S125 WeakPolarHBondContact O-CB 3.17Å; G122-S125 PolarHBondContact O-N 3.42Å; G122-S125 VanDerWaalsContact O-N 3.15Å; G122-S125 PolarHBondContact O-OG 3.4Å; S125-R127 VanDerWaalsContact C-N 3.26Å; S125-R127 PolarHBondContact O-N 3.49Å; S125-H128 PolarHBondContact O-N 2.94Å; S125-H128 VanDerWaalsContact OG-CB 3.22Å; S125-H128 WeakPolarHBondContact OG-CB 3.48Å; S125-H128 PolarHBondContact OG-N 3.4Å; S125-S129 PolarHBondContact O-N 2.9Å; S125-S129 PolarHBondContact O-OG 3.31Å
126L92.1Very high86.8Confident3 Ų362.6 Ų62.62%0.01632%0.318CS..Hα-helixtrans-57.5-42.8176.9179.758000110.9L88 L119 H128 S129 L130 N171 L172 L175L88-L126 HydrophobicContact CD2-CD1 4.24Å; L88-L126 HydrophobicContact CD2-CD2 3.89Å; L119-L126 HydrophobicContact CB-CB 4.31Å; L119-L126 HydrophobicContact CD2-CB 4.2Å; L119-L126 HydrophobicContact CD2-CD2 3.86Å; L119-L126 HydrophobicContact CD2-CG 4.44Å; L119-L126 PolarHBondContact O-N 2.88Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-H128 PolarHBondContact O-N 2.96Å; L126-S129 WeakPolarHBondContact O-CB 3.46Å; L126-S129 PolarHBondContact O-N 2.81Å; L126-S129 VanDerWaalsContact O-N 3.1Å; L126-L130 HydrophobicContact CD1-CD1 3.96Å; L126-L130 HydrophobicContact CD1-CD2 4.23Å; L126-L130 HydrophobicContact CD1-CG 3.83Å; L126-L130 HydrophobicContact CD2-CD1 4.47Å; L126-L130 HydrophobicContact CG-CD1 3.9Å; L126-L130 HydrophobicContact CG-CG 4.21Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 2.81Å; L126-N171 HydrophobicContact CD2-CB 4.18Å; L126-N171 HydrophobicContact CG-CB 4.48Å; L126-L172 HydrophobicContact CD2-CD2 4.14Å; L126-L175 HydrophobicContact CD1-CD1 4.01Å
127R90.9Very high85.9Confident99 Ų9965.1 Ų65.137%0.37435%0.345SS..Hα-helixtrans-57-46.3177.9-165.8-174.8-68172.16.8111.9L119 S125 Q131 T166 D167L119-R127 HydrophobicContact CD1-CB 4.23Å; S125-R127 VanDerWaalsContact C-N 3.26Å; S125-R127 PolarHBondContact O-N 3.49Å; R127-Q131 WeakPolarHBondContact O-CB 3.26Å; R127-Q131 VanDerWaalsContact O-CG 3.23Å; R127-Q131 WeakPolarHBondContact O-CG 3.27Å; R127-Q131 PolarHBondContact O-N 2.97Å; R127-Q131 VanDerWaalsContact O-N 3.07Å; R127-T166 PolarHBondContact NH2-O 2.79Å; R127-D167 VanDerWaalsContact CZ-CG 3.41Å; R127-D167 IonicContact CZ-OD1 3.89Å; R127-D167 IonicContact CZ-OD2 2.69Å; R127-D167 IonicContact NE-OD1 3.58Å; R127-D167 PolarHBondContact NE-OD1 3.36Å; R127-D167 VanDerWaalsContact NE-OD1 3.09Å; R127-D167 IonicContact NE-OD2 2.7Å; R127-D167 PolarHBondContact NE-OD2 2.81Å; R127-D167 VanDerWaalsContact NE-OD2 3.08Å; R127-D167 IonicContact NH1-OD2 2.83Å; R127-D167 IonicContact NH2-OD1 2.99Å; R127-D167 PolarHBondContact NH2-OD1 3.22Å; R127-D167 IonicContact NH2-OD2 2.89Å; R127-D167 PolarHBondContact NH2-OD2 2.83Å
128H91.1Very high84.9Confident69 Ų6970.8 Ų70.832%0.31937%0.374SS..Hα-helixtrans-66.1-39.9176.7-17967.3000112.1G122 S125 L126 Q131 T132G122-H128 WeakPolarHBondContact O-CB 3.48Å; S125-H128 PolarHBondContact O-N 2.94Å; S125-H128 VanDerWaalsContact OG-CB 3.22Å; S125-H128 WeakPolarHBondContact OG-CB 3.48Å; S125-H128 PolarHBondContact OG-N 3.4Å; L126-H128 VanDerWaalsContact C-N 3.34Å; L126-H128 PolarHBondContact O-N 2.96Å; H128-Q131 PolarHBondContact O-N 3.48Å; H128-T132 WeakPolarHBondContact O-CG2 3.35Å; H128-T132 PolarHBondContact O-N 2.89Å; H128-T132 VanDerWaalsContact O-N 3.15Å; H128-T132 PolarHBondContact O-OG1 2.86Å
129S91.3Very high84.1Confident2 Ų276.8 Ų76.81%0.01440%0.403CS..Hα-helixtrans-63-44.7179.4-70.20000112.2E89 S125 L126 T132 L133 R136E89-S129 WeakPolarHBondContact OE2-CB 3.36Å; E89-S129 PolarHBondContact OE2-OG 2.67Å; S125-S129 PolarHBondContact O-N 2.9Å; S125-S129 PolarHBondContact O-OG 3.31Å; L126-S129 WeakPolarHBondContact O-CB 3.46Å; L126-S129 PolarHBondContact O-N 2.81Å; L126-S129 VanDerWaalsContact O-N 3.1Å; S129-T132 PolarHBondContact O-N 2.9Å; S129-T132 PolarHBondContact O-OG1 2.89Å; S129-T132 VanDerWaalsContact O-OG1 3.04Å; S129-L133 PolarHBondContact O-N 3.33Å; S129-R136 PolarHBondContact O-NH2 3.39Å
130L91.2Very high83.6Confident18 Ų1883.5 Ų83.59%0.09443%0.431CS..Hα-helixtrans-67.1-43.3177-65.1177.5000112L126 T132 L133 F142 N171 E174 L178L126-L130 HydrophobicContact CD1-CD1 3.96Å; L126-L130 HydrophobicContact CD1-CD2 4.23Å; L126-L130 HydrophobicContact CD1-CG 3.83Å; L126-L130 HydrophobicContact CD2-CD1 4.47Å; L126-L130 HydrophobicContact CG-CD1 3.9Å; L126-L130 HydrophobicContact CG-CG 4.21Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 2.81Å; L130-T132 PolarHBondContact O-N 3.29Å; L130-L133 HydrophobicContact CB-CD1 4.28Å; L130-L133 HydrophobicContact CD2-CD1 3.83Å; L130-L133 WeakPolarHBondContact O-CB 3.43Å; L130-L133 VanDerWaalsContact O-CD1 3.25Å; L130-L133 WeakPolarHBondContact O-CD1 3.4Å; L130-L133 VanDerWaalsContact O-CG 3.25Å; L130-L133 WeakPolarHBondContact O-CG 3.11Å; L130-L133 PolarHBondContact O-N 3.15Å; L130-F142 HydrophobicContact CD2-CE1 4.38Å; L130-F142 HydrophobicContact CD2-CZ 4.08Å; L130-N171 HydrophobicContact CD1-CB 3.93Å; L130-N171 WeakPolarHBondContact CD1-O 3.45Å; L130-E174 HydrophobicContact CD1-CB 4.24Å; L130-E174 HydrophobicContact CD1-CG 4.12Å; L130-E174 HydrophobicContact CD2-CG 4.2Å; L130-L178 HydrophobicContact CD2-CD1 3.56Å
131Q89.7Confident83.6Confident133 Ų13389 Ų8962%0.62145%0.45SS*.Hα-helixtrans-61.7-28.6177.5-74.5174.9-2.400113.5R127 H128R127-Q131 WeakPolarHBondContact O-CB 3.26Å; R127-Q131 VanDerWaalsContact O-CG 3.23Å; R127-Q131 WeakPolarHBondContact O-CG 3.27Å; R127-Q131 PolarHBondContact O-N 2.97Å; R127-Q131 VanDerWaalsContact O-N 3.07Å; H128-Q131 PolarHBondContact O-N 3.48Å
132T88.8Confident84.1Confident35 Ų3583.4 Ų83.422%0.21542%0.42CS..THydrogen-bonded Turntrans-91.3-0.9-178.153.90000113.9H128 S129 L130 K134 H135 R136H128-T132 WeakPolarHBondContact O-CG2 3.35Å; H128-T132 PolarHBondContact O-N 2.89Å; H128-T132 VanDerWaalsContact O-N 3.15Å; H128-T132 PolarHBondContact O-OG1 2.86Å; S129-T132 PolarHBondContact O-N 2.9Å; S129-T132 PolarHBondContact O-OG1 2.89Å; S129-T132 VanDerWaalsContact O-OG1 3.04Å; L130-T132 PolarHBondContact O-N 3.29Å; T132-K134 VanDerWaalsContact C-N 3.35Å; T132-K134 PolarHBondContact O-N 3.3Å; T132-H135 PolarHBondContact O-N 3.48Å; T132-R136 WeakPolarHBondContact O-CD 3.21Å; T132-R136 WeakPolarHBondContact O-CG 3.44Å; T132-R136 PolarHBondContact OG1-NE 2.92Å; T132-R136 VanDerWaalsContact OG1-NE 3.15Å; T132-R136 PolarHBondContact OG1-NH2 2.85Å; T132-R136 VanDerWaalsContact OG1-NH2 3.12Å
133L86.3Confident84.4Confident48 Ų4881.7 Ų81.725%0.25140%0.4SS..G310 helixtrans-47.8-51-176.4-82.6164.3000113.5S129 L130 H135 F142 L178S129-L133 PolarHBondContact O-N 3.33Å; L130-L133 HydrophobicContact CB-CD1 4.28Å; L130-L133 HydrophobicContact CD2-CD1 3.83Å; L130-L133 WeakPolarHBondContact O-CB 3.43Å; L130-L133 VanDerWaalsContact O-CD1 3.25Å; L130-L133 WeakPolarHBondContact O-CD1 3.4Å; L130-L133 VanDerWaalsContact O-CG 3.25Å; L130-L133 WeakPolarHBondContact O-CG 3.11Å; L130-L133 PolarHBondContact O-N 3.15Å; L133-H135 VanDerWaalsContact C-N 3.26Å; L133-H135 PolarHBondContact O-N 3.41Å; L133-F142 HydrophobicContact CD2-CB 3.43Å; L133-F142 VanDerWaalsContact CD2-CB 3.43Å; L133-F142 HydrophobicContact CD2-CD1 3.82Å; L133-F142 HydrophobicContact CD2-CD2 4.08Å; L133-F142 HydrophobicContact CD2-CG 3.51Å; L133-L178 HydrophobicContact CD1-CD1 3.61Å; L133-L178 HydrophobicContact CD2-CD1 4.41Å
134K81.6Confident85.2Confident199 Ų19973.9 Ų73.987%0.86537%0.367SS*.G310 helixtrans-74.8-13.2-174.7-63.4-177.3-178.5177.10114.2T132T132-K134 VanDerWaalsContact C-N 3.35Å; T132-K134 PolarHBondContact O-N 3.3Å
135H80.9Confident85.8Confident166 Ų16677.3 Ų77.377%0.76939%0.385SS*.G310 helixtrans-104.94.4-173.1-61.4-59.4000113T132 L133T132-H135 PolarHBondContact O-N 3.48Å; L133-H135 VanDerWaalsContact C-N 3.26Å; L133-H135 PolarHBondContact O-N 3.41Å
136R82.2Confident85.9Confident62 Ų6277.7 Ų77.723%0.23439%0.385CS..  trans-89.5137.6-179-71155.4177.8-119.310.2110.8E89 S129 T132 K140E89-R136 IonicContact OE1-CZ 3.53Å; E89-R136 IonicContact OE1-NH1 3.08Å; E89-R136 PolarHBondContact OE1-NH1 2.82Å; E89-R136 IonicContact OE1-NH2 2.81Å; E89-R136 IonicContact OE2-CZ 3.02Å; E89-R136 IonicContact OE2-NH1 2.87Å; E89-R136 PolarHBondContact OE2-NH1 2.8Å; E89-R136 IonicContact OE2-NH2 3.39Å; E89-R136 PolarHBondContact OE2-NH2 3.35Å; S129-R136 PolarHBondContact O-NH2 3.39Å; T132-R136 WeakPolarHBondContact O-CD 3.21Å; T132-R136 WeakPolarHBondContact O-CG 3.44Å; T132-R136 PolarHBondContact OG1-NE 2.92Å; T132-R136 VanDerWaalsContact OG1-NE 3.15Å; T132-R136 PolarHBondContact OG1-NH2 2.85Å; T132-R136 VanDerWaalsContact OG1-NH2 3.12Å; R136-K140 WeakPolarHBondContact CD-O 3.36Å; R136-K140 PolarHBondContact NH1-O 3.02Å
137G74.4Confident85.9Confident55 Ų5580.6 Ų80.657%0.56740%0.404SS*.  trans-78.6173168.200000112D139 K140G137-D139 PolarHBondContact O-N 2.78Å; G137-D139 VanDerWaalsContact O-N 3.12Å; G137-K140 PolarHBondContact O-N 3.04Å; G137-K140 VanDerWaalsContact O-N 3.08Å
138D71.3Confident85.9Confident124 Ų12476.2 Ų76.266%0.66339%0.388SS*.G310 helixtrans-58-28.3-174.8-80.3-46.5000114.4K140 K141D138-K140 VanDerWaalsContact C-N 3.28Å; D138-K140 PolarHBondContact O-N 3.11Å; D138-K141 WeakPolarHBondContact O-CG 3.46Å; D138-K141 WeakPolarHBondContact OD1-CE 3.49Å; D138-K141 IonicContact OD1-NZ 3.51Å; D138-K141 PolarHBondContact OD1-NZ 3.33Å
139D71.5Confident85.8Confident167 Ų16776.3 Ų76.389%0.89340%0.395SS*.G310 helixtrans-77.1-8.2-179.1-58.9-31.4000114.1G137G137-D139 PolarHBondContact O-N 2.78Å; G137-D139 VanDerWaalsContact O-N 3.12Å
140K76.9Confident85.9Confident161 Ų16176.9 Ų76.970%0.740%0.399SS*.G310 helixtrans-13241.5-178.4-64.7-174-178.8179.40112.1R136 G137 D138R136-K140 WeakPolarHBondContact CD-O 3.36Å; R136-K140 PolarHBondContact NH1-O 3.02Å; G137-K140 PolarHBondContact O-N 3.04Å; G137-K140 VanDerWaalsContact O-N 3.08Å; D138-K140 VanDerWaalsContact C-N 3.28Å; D138-K140 PolarHBondContact O-N 3.11Å
141K84.1Confident86Confident135 Ų13577.5 Ų77.559%0.58740%0.4SS*.  trans-59.5139.6176.3-76.5179.2-172.2-178.40110.5D138D138-K141 WeakPolarHBondContact O-CG 3.46Å; D138-K141 WeakPolarHBondContact OD1-CE 3.49Å; D138-K141 IonicContact OD1-NZ 3.51Å; D138-K141 PolarHBondContact OD1-NZ 3.33Å
142F89.9Confident86.3Confident20 Ų2071.2 Ų71.29%0.08837%0.371CS..  trans-64.6145.8170.6-167.7-108.1000108.9E89 L92 L130 L133 L144 L175 L178E89-F142 HydrophobicContact CB-CE2 4.23Å; E89-F142 HydrophobicContact CG-CD2 3.91Å; E89-F142 HydrophobicContact CG-CE2 3.76Å; L92-F142 HydrophobicContact CD1-CZ 4.49Å; L130-F142 HydrophobicContact CD2-CE1 4.38Å; L130-F142 HydrophobicContact CD2-CZ 4.08Å; L133-F142 HydrophobicContact CD2-CB 3.43Å; L133-F142 VanDerWaalsContact CD2-CB 3.43Å; L133-F142 HydrophobicContact CD2-CD1 3.82Å; L133-F142 HydrophobicContact CD2-CD2 4.08Å; L133-F142 HydrophobicContact CD2-CG 3.51Å; F142-L144 HydrophobicContact CD1-CB 3.93Å; F142-L144 HydrophobicContact CD1-CG 4.47Å; F142-L144 HydrophobicContact CE1-CB 3.93Å; F142-L144 HydrophobicContact CE1-CD1 4.08Å; F142-L144 HydrophobicContact CE1-CG 4.06Å; F142-L144 PolarHBondContact O-N 3.12Å; F142-L144 VanDerWaalsContact O-N 3.16Å; F142-L175 HydrophobicContact CE1-CD1 4.06Å; F142-L175 HydrophobicContact CZ-CD1 3.91Å; F142-L178 HydrophobicContact CD1-CD1 4.31Å; F142-L178 HydrophobicContact CE1-CD1 4.02Å
143P90.7Very high86.7Confident15 Ų1569.9 Ų69.910%0.09736%0.362CS..SBendtrans-68.4-15.5-170.7-13.125.8000114E89 L92 Q93E89-P143 HydrophobicContact CG-CG 3.85Å; E89-P143 WeakPolarHBondContact O-CG 3.28Å; L92-P143 HydrophobicContact CB-CB 3.9Å; L92-P143 HydrophobicContact CB-CG 3.94Å; Q93-P143 HydrophobicContact CB-CG 4.46Å; Q93-P143 HydrophobicContact CG-CB 4.27Å; Q93-P143 HydrophobicContact CG-CG 3.9Å
144L92.8Very high87.3Confident11 Ų1167.6 Ų67.66%0.05835%0.35CS..  trans-106.1145.1180-60.2-178.9000111.9L92 F142 Y146 M152 L175 L178L92-L144 HydrophobicContact CD1-CD1 4.2Å; L92-L144 HydrophobicContact CD1-CG 4.36Å; F142-L144 HydrophobicContact CD1-CB 3.93Å; F142-L144 HydrophobicContact CD1-CG 4.47Å; F142-L144 HydrophobicContact CE1-CB 3.93Å; F142-L144 HydrophobicContact CE1-CD1 4.08Å; F142-L144 HydrophobicContact CE1-CG 4.06Å; F142-L144 PolarHBondContact O-N 3.12Å; F142-L144 VanDerWaalsContact O-N 3.16Å; L144-Y146 HydrophobicContact CD2-CD1 4.32Å; L144-Y146 HydrophobicContact CD2-CD2 3.48Å; L144-Y146 VanDerWaalsContact CD2-CD2 3.48Å; L144-Y146 HydrophobicContact CD2-CE1 4.17Å; L144-Y146 HydrophobicContact CD2-CE2 3.31Å; L144-Y146 HydrophobicContact CD2-CG 4Å; L144-M152 HydrophobicContact CD1-SD 4.49Å; L144-L175 HydrophobicContact CD1-CD1 3.46Å; L144-L175 VanDerWaalsContact CD1-CD1 3.46Å; L144-L175 HydrophobicContact CD1-CG 3.83Å; L144-L175 WeakPolarHBondContact CD1-O 3.42Å; L144-L178 HydrophobicContact CB-CB 4.05Å; L144-L178 HydrophobicContact CD1-CB 4.35Å
145P93.1Very high88.1Confident93 Ų9358.1 Ų58.160%0.60431%0.309SS*.SBendcis-68.8151.5-3.729.2-35.2000111.9L178P145-L178 VanDerWaalsContact CA-O 3.32Å; P145-L178 WeakPolarHBondContact CA-O 3.48Å; P145-L178 WeakPolarHBondContact CB-O 3.22Å
146Y93.1Very high88.8Confident16 Ų1650.2 Ų50.26%0.06327%0.273CS..  trans-63.3151.1175.4-74.5-64.7000111L92 V95 V111 L144 F148 T150L92-Y146 WeakPolarHBondContact CD2-OH 3.15Å; L92-Y146 WeakPolarHBondContact O-CE1 3.42Å; L92-Y146 PolarHBondContact O-OH 3.43Å; V95-Y146 HydrophobicContact CB-CE1 4.29Å; V95-Y146 WeakPolarHBondContact CB-OH 3.43Å; V95-Y146 HydrophobicContact CG1-CE1 4.12Å; V111-Y146 HydrophobicContact CG2-CE2 4.13Å; L144-Y146 HydrophobicContact CD2-CD1 4.32Å; L144-Y146 HydrophobicContact CD2-CD2 3.48Å; L144-Y146 VanDerWaalsContact CD2-CD2 3.48Å; L144-Y146 HydrophobicContact CD2-CE1 4.17Å; L144-Y146 HydrophobicContact CD2-CE2 3.31Å; L144-Y146 HydrophobicContact CD2-CG 4Å; Y146-F148 HydrophobicContact CD1-CE1 4.04Å; Y146-F148 HydrophobicContact CD1-CE2 4.2Å; Y146-F148 AromaticContact CD1-CZ 3.55Å; Y146-F148 HydrophobicContact CD1-CZ 3.55Å; Y146-F148 HydrophobicContact CD2-CE2 4.26Å; Y146-F148 HydrophobicContact CD2-CZ 4.39Å; Y146-F148 HydrophobicContact CE1-CZ 4.16Å; Y146-F148 HydrophobicContact CG-CE1 4.33Å; Y146-F148 AromaticContact CG-CE2 3.85Å; Y146-F148 HydrophobicContact CG-CE2 3.85Å; Y146-F148 AromaticContact CG-CZ 3.68Å; Y146-F148 HydrophobicContact CG-CZ 3.68Å; Y146-F148 PolarHBondContact O-N 2.79Å; Y146-T150 WeakPolarHBondContact CB-OG1 3.47Å; Y146-T150 HydrophobicContact CD2-CG2 3.68Å; Y146-T150 HydrophobicContact CE2-CG2 4.07Å
147P91.4Very high89.5Confident64 Ų6447.3 Ų47.342%0.41626%0.261SS..SBendtrans-77.33.7177.130.8-31.7000113.5Q100Q100-P147 HydrophobicContact CG-CG 4.24Å
148F91.4Very high90.3Very high7 Ų744.7 Ų44.73%0.03123%0.234CC..SBendtrans-127.2151.6175.746.6-95.6000109.9V99 Q100 N105 C109 Y146 T150V99-F148 HydrophobicContact CB-CD1 4.22Å; V99-F148 HydrophobicContact CB-CE1 3.61Å; V99-F148 HydrophobicContact CB-CE2 4.13Å; V99-F148 HydrophobicContact CB-CZ 3.57Å; V99-F148 HydrophobicContact CG1-CD1 3.71Å; V99-F148 HydrophobicContact CG1-CD2 3.87Å; V99-F148 HydrophobicContact CG1-CE1 3.6Å; V99-F148 HydrophobicContact CG1-CE2 3.77Å; V99-F148 HydrophobicContact CG1-CG 3.87Å; V99-F148 HydrophobicContact CG1-CZ 3.65Å; V99-F148 HydrophobicContact CG2-CE1 4.34Å; V99-F148 HydrophobicContact CG2-CE2 4.13Å; V99-F148 HydrophobicContact CG2-CZ 3.78Å; Q100-F148 HydrophobicContact CG-CD1 4.11Å; Q100-F148 HydrophobicContact CG-CE1 4.18Å; N105-F148 WeakPolarHBondContact O-CA 3.23Å; N105-F148 WeakPolarHBondContact O-CB 3.35Å; C109-F148 HydrophobicContact CB-CD2 3.89Å; C109-F148 HydrophobicContact CB-CE2 3.9Å; Y146-F148 HydrophobicContact CD1-CE1 4.04Å; Y146-F148 HydrophobicContact CD1-CE2 4.2Å; Y146-F148 AromaticContact CD1-CZ 3.55Å; Y146-F148 HydrophobicContact CD1-CZ 3.55Å; Y146-F148 HydrophobicContact CD2-CE2 4.26Å; Y146-F148 HydrophobicContact CD2-CZ 4.39Å; Y146-F148 HydrophobicContact CE1-CZ 4.16Å; Y146-F148 HydrophobicContact CG-CE1 4.33Å; Y146-F148 AromaticContact CG-CE2 3.85Å; Y146-F148 HydrophobicContact CG-CE2 3.85Å; Y146-F148 AromaticContact CG-CZ 3.68Å; Y146-F148 HydrophobicContact CG-CZ 3.68Å; Y146-F148 PolarHBondContact O-N 2.79Å; F148-T150 WeakPolarHBondContact CD2-OG1 3.41Å; F148-T150 HydrophobicContact CE2-CG2 4.44Å; F148-T150 WeakPolarHBondContact CE2-OG1 3.04Å; F148-T150 PolarHBondContact O-N 3.46Å; F148-T150 PolarHBondContact O-OG1 2.66Å
149P89.9Confident91.2Very high72 Ų7241 Ų4147%0.46822%0.215SC..  trans-56.9126.2176.6-19.931.2000109.7P108 C109P108-P149 CarbonylContact C-O 3.53Å; P108-P149 VanDerWaalsContact CA-O 3.26Å; P108-P149 WeakPolarHBondContact CA-O 3.28Å; P108-P149 HydrophobicContact CB-CB 4.13Å; P108-P149 HydrophobicContact CG-CB 4.29Å; P108-P149 HydrophobicContact CG-CG 4.4Å; C109-P149 PolarHBondContact N-O 3.05Å
150T92.1Very high92Very high14 Ų1434.6 Ų34.69%0.08619%0.185CC..EExtended strand (participates in β ladder)trans-136.7137.1-172.4-54.40000111.7C109 V111 Y146 F148C109-T150 VanDerWaalsContact O-CA 3.23Å; C109-T150 WeakPolarHBondContact O-CA 3.17Å; V111-T150 HydrophobicContact CB-CG2 4.37Å; V111-T150 HydrophobicContact CG2-CG2 3.7Å; Y146-T150 WeakPolarHBondContact CB-OG1 3.47Å; Y146-T150 HydrophobicContact CD2-CG2 3.68Å; Y146-T150 HydrophobicContact CE2-CG2 4.07Å; F148-T150 WeakPolarHBondContact CD2-OG1 3.41Å; F148-T150 HydrophobicContact CE2-CG2 4.44Å; F148-T150 WeakPolarHBondContact CE2-OG1 3.04Å; F148-T150 PolarHBondContact O-N 3.46Å; F148-T150 PolarHBondContact O-OG1 2.66Å
151K93.8Very high92.5Very high31 Ų3133.8 Ų33.814%0.13518%0.184CC..EExtended strand (participates in β ladder)trans-104.5124.7163.3-68.7-172.1173.4-177.90109.9C109 Q110 V111 F153 D182 E232C109-K151 PolarHBondContact O-N 3.21Å; Q110-K151 CarbonylContact C-O 3.25Å; Q110-K151 WeakPolarHBondContact CA-O 3.01Å; Q110-K151 HydrophobicContact CG-CB 4.47Å; V111-K151 PolarHBondContact N-O 3.08Å; K151-F153 HydrophobicContact CB-CE2 3.94Å; K151-F153 HydrophobicContact CB-CZ 4.1Å; K151-F153 HydrophobicContact CD-CZ 4.35Å; K151-D182 WeakPolarHBondContact CA-O 3.44Å; K151-D182 WeakPolarHBondContact CE-OD1 3.42Å; K151-D182 WeakPolarHBondContact CE-OD2 3.44Å; K151-D182 HydrophobicContact CG-CB 4.41Å; K151-D182 WeakPolarHBondContact CG-OD2 3.2Å; K151-E232 IonicContact NZ-OE1 3.47Å; K151-E232 PolarHBondContact NZ-OE1 2.94Å; K151-E232 IonicContact NZ-OE2 2.63Å; K151-E232 PolarHBondContact NZ-OE2 2.83Å
152M96.3Very high92.8Very high0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-108.5112.1-178.1-167.4174.2-150.400111.4L92 V111 L113 L144 I154 L175 L176 D182 G183 Q184L92-M152 HydrophobicContact CD2-CE 3.5Å; L92-M152 VanDerWaalsContact CD2-CE 3.5Å; V111-M152 HydrophobicContact CG1-CE 4.43Å; L113-M152 HydrophobicContact CD2-CE 4.44Å; L144-M152 HydrophobicContact CD1-SD 4.49Å; M152-I154 HydrophobicContact CG-CG1 4.18Å; M152-I154 HydrophobicContact SD-CD1 4.39Å; M152-L175 HydrophobicContact CE-CD2 3.86Å; M152-L175 HydrophobicContact CE-CG 4.41Å; M152-L175 HydrophobicContact SD-CD2 4.24Å; M152-L175 HydrophobicContact SD-CG 4.31Å; M152-L176 HydrophobicContact CB-CD1 4.07Å; M152-L176 WeakPolarHBondContact O-CD1 3.48Å; M152-D182 PolarHBondContact N-O 3.28Å; M152-G183 CarbonylContact O-C 3.57Å; M152-G183 WeakPolarHBondContact O-CA 3.31Å; M152-Q184 PolarHBondContact O-N 2.79Å; M152-Q184 VanDerWaalsContact O-N 3.07Å
153F97.9Very high92.8Very high8 Ų828.4 Ų28.44%0.03516%0.161CC..EExtended strand (participates in β ladder)trans-104.6121.7174.4-57.9-66.3000109.6V111 V112 L113 K151 L155 Q184 F186 L204 R207 A208V111-F153 PolarHBondContact O-N 2.76Å; V112-F153 CarbonylContact C-O 3.54Å; V112-F153 WeakPolarHBondContact CA-O 3.47Å; L113-F153 PolarHBondContact N-O 3.41Å; K151-F153 HydrophobicContact CB-CE2 3.94Å; K151-F153 HydrophobicContact CB-CZ 4.1Å; K151-F153 HydrophobicContact CD-CZ 4.35Å; F153-L155 HydrophobicContact CB-CD1 4.39Å; F153-Q184 WeakPolarHBondContact CA-O 3.26Å; F153-Q184 HydrophobicContact CD1-CB 4.25Å; F153-F186 HydrophobicContact CB-CE2 4.29Å; F153-F186 AromaticContact CD1-CE2 3.83Å; F153-F186 HydrophobicContact CD1-CE2 3.83Å; F153-F186 HydrophobicContact CG-CE2 4.41Å; F153-L204 HydrophobicContact CB-CD1 3.67Å; F153-L204 HydrophobicContact CD1-CD1 3.99Å; F153-L204 HydrophobicContact CD2-CD1 3.79Å; F153-L204 HydrophobicContact CE2-CD1 4.43Å; F153-L204 HydrophobicContact CG-CD1 3.53Å; F153-R207 HydrophobicContact CE1-CG 4.48Å; F153-A208 HydrophobicContact CD2-CB 4.39Å; F153-A208 HydrophobicContact CE1-CB 4.49Å; F153-A208 HydrophobicContact CE2-CB 3.63Å; F153-A208 HydrophobicContact CZ-CB 3.68Å
154I97.9Very high92.7Very high0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-111.4111.7-178.9-54.2179.8000107.9L113 M152 L172 L175 Q184 I185 F186L113-I154 HydrophobicContact CB-CG1 4.4Å; L113-I154 HydrophobicContact CD2-CD1 4.43Å; L113-I154 HydrophobicContact CD2-CG1 4.21Å; L113-I154 HydrophobicContact CD2-CG2 4.06Å; L113-I154 HydrophobicContact CG-CG2 4.3Å; L113-I154 CarbonylContact O-C 3.54Å; L113-I154 WeakPolarHBondContact O-CA 3.39Å; M152-I154 HydrophobicContact CG-CG1 4.18Å; M152-I154 HydrophobicContact SD-CD1 4.39Å; I154-L172 HydrophobicContact CD1-CB 4.43Å; I154-L172 HydrophobicContact CD1-CD2 4.4Å; I154-L172 HydrophobicContact CG2-CD1 4.33Å; I154-L172 HydrophobicContact CG2-CD2 4.23Å; I154-L175 HydrophobicContact CD1-CD2 4.11Å; I154-Q184 PolarHBondContact N-O 3.42Å; I154-I185 HydrophobicContact CB-CG1 4.26Å; I154-I185 HydrophobicContact CD1-CG1 4.3Å; I154-I185 CarbonylContact O-C 3.46Å; I154-I185 WeakPolarHBondContact O-CA 3.38Å; I154-F186 PolarHBondContact O-N 3.26Å
155L97.9Very high92.5Very high0 Ų041.5 Ų41.50%022%0.223CC..EExtended strand (participates in β ladder)trans-101.3112178.2-66.393.1000109.3V112 L113 V114 T115 F153 F186 M200 F201 L204V112-L155 HydrophobicContact CG1-CD1 3.48Å; V112-L155 VanDerWaalsContact CG1-CD1 3.48Å; L113-L155 PolarHBondContact O-N 3.32Å; V114-L155 WeakPolarHBondContact CA-O 3.48Å; V114-L155 HydrophobicContact CG2-CB 4.41Å; T115-L155 PolarHBondContact N-O 2.98Å; T115-L155 VanDerWaalsContact N-O 3.1Å; F153-L155 HydrophobicContact CB-CD1 4.39Å; L155-F186 HydrophobicContact CG-CB 4.29Å; L155-F186 HydrophobicContact CG-CD2 4.27Å; L155-M200 HydrophobicContact CB-CE 3.95Å; L155-M200 HydrophobicContact CB-SD 4.4Å; L155-M200 HydrophobicContact CD2-CE 4.13Å; L155-M200 HydrophobicContact CD2-CG 4.44Å; L155-F201 HydrophobicContact CD2-CD1 3.77Å; L155-F201 HydrophobicContact CD2-CD2 3.75Å; L155-F201 HydrophobicContact CD2-CE1 3.69Å; L155-F201 HydrophobicContact CD2-CE2 3.68Å; L155-F201 HydrophobicContact CD2-CG 3.82Å; L155-F201 HydrophobicContact CD2-CZ 3.67Å; L155-L204 HydrophobicContact CD1-CD2 3.95Å; L155-L204 HydrophobicContact CD2-CB 4.37Å; L155-L204 HydrophobicContact CD2-CD2 4.03Å
156C96.6Very high92.2Very high0 Ų040.5 Ų40.50%022%0.215CC..EExtended strand (participates in β ladder)trans-94116.3-178.9-62.20000110.7T115 A158 L163 L172 F186 T187T115-C156 CarbonylContact O-C 3.57Å; T115-C156 VanDerWaalsContact O-CA 3.24Å; T115-C156 WeakPolarHBondContact O-CA 3.46Å; C156-A158 PolarHBondContact O-N 3.47Å; C156-L163 HydrophobicContact CB-CD1 3.67Å; C156-L172 VanDerWaalsContact SG-CD1 3.59Å; C156-F186 PolarHBondContact N-O 3.14Å; C156-T187 HydrophobicContact CB-CG2 4.38Å
157I95.9Very high92Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-78.757.3168.6-44.6-61.9000109.3M13 R27 L30 A31 V114 T115 L192 V197 M200M13-I157 HydrophobicContact CE-CG1 4.43Å; R27-I157 HydrophobicContact CB-CB 4.38Å; R27-I157 HydrophobicContact CB-CG2 3.78Å; R27-I157 WeakPolarHBondContact CD-O 3.4Å; R27-I157 HydrophobicContact CG-CG2 4.13Å; R27-I157 PolarHBondContact NH1-O 2.9Å; L30-I157 HydrophobicContact CB-CG2 4.14Å; L30-I157 HydrophobicContact CD1-CG2 4.34Å; A31-I157 HydrophobicContact CB-CD1 4.13Å; A31-I157 HydrophobicContact CB-CG1 4Å; V114-I157 HydrophobicContact CG1-CD1 4.16Å; V114-I157 HydrophobicContact CG1-CG1 4.15Å; T115-I157 PolarHBondContact O-N 3.48Å; I157-L192 HydrophobicContact CG2-CD1 3.98Å; I157-L192 HydrophobicContact CG2-CD2 4.35Å; I157-V197 HydrophobicContact CD1-CG1 4.18Å; I157-V197 HydrophobicContact CD1-CG2 4.38Å; I157-M200 HydrophobicContact CD1-CE 3.94Å
158A92.4Very high92Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-158.3153.8-179.100000108.3D116 C156 L163 V188D116-A158 WeakPolarHBondContact O-CB 3.42Å; C156-A158 PolarHBondContact O-N 3.47Å; A158-L163 HydrophobicContact CB-CD1 4.33Å; A158-L163 HydrophobicContact CB-CD2 3.8Å; A158-L163 HydrophobicContact CB-CG 3.89Å; A158-V188 PolarHBondContact O-N 3.1Å; A158-V188 VanDerWaalsContact O-N 3.14Å
159N89.1Confident92.1Very high47 Ų4740.3 Ų40.325%0.25121%0.211SC..EExtended strand (participates in β ladder)trans-81.1160.8170.962.727.3000110.5E161 E162 L163N159-E161 VanDerWaalsContact C-N 3.25Å; N159-E161 PolarHBondContact O-N 2.94Å; N159-E162 PolarHBondContact O-N 3.07Å; N159-E162 WeakPolarHBondContact OD1-CB 3.31Å; N159-E162 PolarHBondContact OD1-N 2.8Å; N159-L163 WeakPolarHBondContact O-CG 3.32Å; N159-L163 PolarHBondContact O-N 3.48Å
160A88Confident92.3Very high33 Ų3343.5 Ų43.527%0.27322%0.22SC..Hα-helixtrans-60.5-35.6-178.400000112.6L163 Q164A160-L163 PolarHBondContact O-N 2.91Å; A160-Q164 WeakPolarHBondContact O-CB 3.36Å; A160-Q164 VanDerWaalsContact O-CG 3.25Å; A160-Q164 WeakPolarHBondContact O-CG 3.25Å; A160-Q164 PolarHBondContact O-N 3.22Å
161E88.4Confident92.4Very high143 Ų14343.7 Ų43.767%0.66822%0.22SC*.Hα-helixtrans-62-46.4178.6-64.7-179.8179.100111.7N159 L163 Q164 M165N159-E161 VanDerWaalsContact C-N 3.25Å; N159-E161 PolarHBondContact O-N 2.94Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 2.91Å; E161-Q164 PolarHBondContact O-N 3.26Å; E161-M165 VanDerWaalsContact O-CG 3.27Å; E161-M165 WeakPolarHBondContact O-CG 3.49Å; E161-M165 PolarHBondContact O-N 3.5Å
162E89.8Confident92.5Very high41 Ų4142.3 Ų42.319%0.19222%0.215CC..Hα-helixtrans-60.8-42.5177.8-178.8-176.6177.600111.9R15 R27 N159 M165 T166R15-E162 IonicContact CZ-OE1 3.46Å; R15-E162 IonicContact NH1-OE1 3.48Å; R15-E162 PolarHBondContact NH1-OE1 2.85Å; R15-E162 IonicContact NH2-OE1 2.66Å; R15-E162 PolarHBondContact NH2-OE1 3.23Å; R27-E162 IonicContact CZ-OE1 2.79Å; R27-E162 VanDerWaalsContact CZ-OE1 3.31Å; R27-E162 IonicContact CZ-OE2 2.67Å; R27-E162 VanDerWaalsContact CZ-OE2 3.29Å; R27-E162 VanDerWaalsContact NH1-CD 3.35Å; R27-E162 IonicContact NH1-OE1 3.53Å; R27-E162 PolarHBondContact NH1-OE1 3.41Å; R27-E162 IonicContact NH1-OE2 3.56Å; R27-E162 PolarHBondContact NH1-OE2 2.69Å; R27-E162 IonicContact NH2-OE1 3.53Å; R27-E162 PolarHBondContact NH2-OE1 3.07Å; R27-E162 IonicContact NH2-OE2 3.39Å; R27-E162 PolarHBondContact NH2-OE2 2.7Å; N159-E162 PolarHBondContact O-N 3.07Å; N159-E162 WeakPolarHBondContact OD1-CB 3.31Å; N159-E162 PolarHBondContact OD1-N 2.8Å; E162-M165 PolarHBondContact O-N 3.02Å; E162-T166 PolarHBondContact O-N 2.86Å; E162-T166 PolarHBondContact O-OG1 3.39Å
163L91.2Very high92.4Very high1 Ų147.1 Ų47.11%0.00524%0.237CC..Hα-helixtrans-68.4-36.3179.9-63.5174000112C156 A158 N159 A160 E161 T166 D167 A168 M169 T187C156-L163 HydrophobicContact CB-CD1 3.67Å; A158-L163 HydrophobicContact CB-CD1 4.33Å; A158-L163 HydrophobicContact CB-CD2 3.8Å; A158-L163 HydrophobicContact CB-CG 3.89Å; N159-L163 WeakPolarHBondContact O-CG 3.32Å; N159-L163 PolarHBondContact O-N 3.48Å; A160-L163 PolarHBondContact O-N 2.91Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 2.91Å; L163-T166 PolarHBondContact O-OG1 2.87Å; L163-D167 PolarHBondContact O-N 3.07Å; L163-A168 HydrophobicContact CB-CB 4.35Å; L163-A168 HydrophobicContact CD2-CB 3.86Å; L163-A168 PolarHBondContact O-N 2.86Å; L163-M169 HydrophobicContact CB-CB 4.16Å; L163-M169 HydrophobicContact CD1-SD 4.45Å; L163-M169 PolarHBondContact O-N 3.22Å; L163-T187 HydrophobicContact CD1-CG2 3.58Å
164Q88.7Confident92.3Very high132 Ų13249.5 Ų49.562%0.61725%0.248SC*.Hα-helixtrans-70-38.8176.2-73.8173.12.800111.8A160 E161 T166 D167 M169A160-Q164 WeakPolarHBondContact O-CB 3.36Å; A160-Q164 VanDerWaalsContact O-CG 3.25Å; A160-Q164 WeakPolarHBondContact O-CG 3.25Å; A160-Q164 PolarHBondContact O-N 3.22Å; E161-Q164 PolarHBondContact O-N 3.26Å; Q164-T166 PolarHBondContact O-N 3.5Å; Q164-D167 PolarHBondContact O-N 2.82Å; Q164-M169 HydrophobicContact CG-CB 4.42Å
165M87.9Confident92.1Very high169 Ų16949.5 Ų49.583%0.83325%0.248SC*.Hα-helixtrans-62.9-25.6178.2-72.5-176.28800113.5E161 E162E161-M165 VanDerWaalsContact O-CG 3.27Å; E161-M165 WeakPolarHBondContact O-CG 3.49Å; E161-M165 PolarHBondContact O-N 3.5Å; E162-M165 PolarHBondContact O-N 3.02Å
166T85.6Confident91.9Very high72 Ų7250.7 Ų50.744%0.44225%0.254SS..THydrogen-bonded Turntrans-105.84.4-174.352.70000114.2R127 E162 L163 Q164 A168R127-T166 PolarHBondContact NH2-O 2.79Å; E162-T166 PolarHBondContact O-N 2.86Å; E162-T166 PolarHBondContact O-OG1 3.39Å; L163-T166 PolarHBondContact O-OG1 2.87Å; Q164-T166 PolarHBondContact O-N 3.5Å; T166-A168 PolarHBondContact O-N 2.84Å
167D89.1Confident91.8Very high48 Ų4857.7 Ų57.726%0.25728%0.281SS..THydrogen-bonded Turntrans58.59.3-168.281.922.2000115.4L119 R127 L163 Q164 M169 E170 N171L119-D167 WeakPolarHBondContact CD1-OD1 2.85Å; R127-D167 VanDerWaalsContact CZ-CG 3.41Å; R127-D167 IonicContact CZ-OD1 3.89Å; R127-D167 IonicContact CZ-OD2 2.69Å; R127-D167 IonicContact NE-OD1 3.58Å; R127-D167 PolarHBondContact NE-OD1 3.36Å; R127-D167 VanDerWaalsContact NE-OD1 3.09Å; R127-D167 IonicContact NE-OD2 2.7Å; R127-D167 PolarHBondContact NE-OD2 2.81Å; R127-D167 VanDerWaalsContact NE-OD2 3.08Å; R127-D167 IonicContact NH1-OD2 2.83Å; R127-D167 IonicContact NH2-OD1 2.99Å; R127-D167 PolarHBondContact NH2-OD1 3.22Å; R127-D167 IonicContact NH2-OD2 2.89Å; R127-D167 PolarHBondContact NH2-OD2 2.83Å; L163-D167 PolarHBondContact O-N 3.07Å; Q164-D167 PolarHBondContact O-N 2.82Å; D167-M169 VanDerWaalsContact C-N 3.28Å; D167-M169 PolarHBondContact O-N 3.43Å; D167-E170 PolarHBondContact O-N 3.03Å; D167-N171 PolarHBondContact O-N 3.18Å; D167-N171 PolarHBondContact O-ND2 3.21Å; D167-N171 PolarHBondContact OD1-ND2 2.9Å
168A92.3Very high91.7Very high0 Ų059.2 Ų59.20%029%0.289CS..Hα-helixtrans-58.9-41.217900000111.8G117 L119 L163 T166 E170 N171 L172G117-A168 VanDerWaalsContact O-CB 3.22Å; G117-A168 WeakPolarHBondContact O-CB 3.48Å; L119-A168 HydrophobicContact CD2-CB 4.21Å; L119-A168 HydrophobicContact CG-CB 4.23Å; L163-A168 HydrophobicContact CB-CB 4.35Å; L163-A168 HydrophobicContact CD2-CB 3.86Å; L163-A168 PolarHBondContact O-N 2.86Å; T166-A168 PolarHBondContact O-N 2.84Å; A168-E170 PolarHBondContact O-N 3.43Å; A168-N171 PolarHBondContact O-N 2.99Å; A168-L172 VanDerWaalsContact O-CG 3.27Å; A168-L172 WeakPolarHBondContact O-CG 3.18Å; A168-L172 PolarHBondContact O-N 2.97Å
169M94.3Very high91.6Very high36 Ų3659.6 Ų59.618%0.17729%0.292CS..Hα-helixtrans-57.2-49.5180-167.765.8175.300112L163 Q164 D167 N171 L172 E173 I185 T187L163-M169 HydrophobicContact CB-CB 4.16Å; L163-M169 HydrophobicContact CD1-SD 4.45Å; L163-M169 PolarHBondContact O-N 3.22Å; Q164-M169 HydrophobicContact CG-CB 4.42Å; D167-M169 VanDerWaalsContact C-N 3.28Å; D167-M169 PolarHBondContact O-N 3.43Å; M169-N171 VanDerWaalsContact C-N 3.31Å; M169-N171 PolarHBondContact O-N 2.9Å; M169-L172 PolarHBondContact O-N 2.91Å; M169-E173 WeakPolarHBondContact CE-OE1 3.4Å; M169-E173 WeakPolarHBondContact O-CG 3.17Å; M169-E173 PolarHBondContact O-N 3.16Å; M169-I185 HydrophobicContact CE-CG2 4.41Å; M169-I185 HydrophobicContact SD-CG2 4.36Å; M169-T187 HydrophobicContact SD-CG2 4.41Å
170E93.9Very high91.4Very high138 Ų13860.4 Ų60.465%0.64531%0.311SS*.Hα-helixtrans-61.3-39-179.7-63.2-178.5179.700112.1D167 A168 E174D167-E170 PolarHBondContact O-N 3.03Å; A168-E170 PolarHBondContact O-N 3.43Å; E170-E174 WeakPolarHBondContact O-CB 3.36Å; E170-E174 PolarHBondContact O-N 3.28Å
171N94.1Very high91.1Very high18 Ų1861 Ų6110%0.09632%0.32CS..Hα-helixtrans-71.2-35.5179-73.4-94.2000112.1L119 L126 L130 D167 A168 M169 L175L119-N171 HydrophobicContact CD1-CB 3.84Å; L119-N171 WeakPolarHBondContact CD1-ND2 3.24Å; L119-N171 HydrophobicContact CD2-CB 3.96Å; L126-N171 HydrophobicContact CD2-CB 4.18Å; L126-N171 HydrophobicContact CG-CB 4.48Å; L130-N171 HydrophobicContact CD1-CB 3.93Å; L130-N171 WeakPolarHBondContact CD1-O 3.45Å; D167-N171 PolarHBondContact O-N 3.18Å; D167-N171 PolarHBondContact O-ND2 3.21Å; D167-N171 PolarHBondContact OD1-ND2 2.9Å; A168-N171 PolarHBondContact O-N 2.99Å; M169-N171 VanDerWaalsContact C-N 3.31Å; M169-N171 PolarHBondContact O-N 2.9Å; N171-L175 WeakPolarHBondContact O-CB 3.39Å; N171-L175 PolarHBondContact O-N 2.96Å
172L95.1Very high91Very high3 Ų358.1 Ų58.12%0.01631%0.309CS..Hα-helixtrans-72.1-37.6175.7-65.6174.3000111.6L126 I154 C156 A168 M169 L175 L176 I185L126-L172 HydrophobicContact CD2-CD2 4.14Å; I154-L172 HydrophobicContact CD1-CB 4.43Å; I154-L172 HydrophobicContact CD1-CD2 4.4Å; I154-L172 HydrophobicContact CG2-CD1 4.33Å; I154-L172 HydrophobicContact CG2-CD2 4.23Å; C156-L172 VanDerWaalsContact SG-CD1 3.59Å; A168-L172 VanDerWaalsContact O-CG 3.27Å; A168-L172 WeakPolarHBondContact O-CG 3.18Å; A168-L172 PolarHBondContact O-N 2.97Å; M169-L172 PolarHBondContact O-N 2.91Å; L172-L175 WeakPolarHBondContact O-CB 3.42Å; L172-L175 PolarHBondContact O-N 3.26Å; L172-L176 PolarHBondContact O-N 3.12Å; L172-I185 HydrophobicContact CB-CD1 3.82Å
173E95.1Very high91Very high101 Ų10157.3 Ų57.347%0.47231%0.312SS..Hα-helixtrans-62.5-43.9172.5-74.2175.3178.100111.5M169 L175 L176 R177 I185M169-E173 WeakPolarHBondContact CE-OE1 3.4Å; M169-E173 WeakPolarHBondContact O-CG 3.17Å; M169-E173 PolarHBondContact O-N 3.16Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 2.66Å; E173-L176 PolarHBondContact O-N 3.37Å; E173-R177 WeakPolarHBondContact O-CB 3.34Å; E173-R177 PolarHBondContact O-N 3.36Å; E173-I185 HydrophobicContact CB-CD1 4.36Å; E173-I185 HydrophobicContact CG-CD1 3.71Å
174E94.6Very high91.2Very high58 Ų5861 Ų6127%0.27133%0.33SS..Hα-helixtrans-63.4-38.1174.6178.863.1-177.700111.7L130 E170 R177 L178L130-E174 HydrophobicContact CD1-CB 4.24Å; L130-E174 HydrophobicContact CD1-CG 4.12Å; L130-E174 HydrophobicContact CD2-CG 4.2Å; E170-E174 WeakPolarHBondContact O-CB 3.36Å; E170-E174 PolarHBondContact O-N 3.28Å; E174-R177 VanDerWaalsContact CD-NH2 3.31Å; E174-R177 PolarHBondContact O-N 2.86Å; E174-R177 IonicContact OE1-CZ 2.73Å; E174-R177 IonicContact OE1-NE 3.29Å; E174-R177 IonicContact OE1-NH2 2.97Å; E174-R177 PolarHBondContact OE1-NH2 3.26Å; E174-R177 IonicContact OE2-CZ 2.7Å; E174-R177 IonicContact OE2-NE 3.53Å; E174-R177 PolarHBondContact OE2-NE 3.05Å; E174-R177 IonicContact OE2-NH2 3.95Å; E174-R177 PolarHBondContact OE2-NH2 3.42Å; E174-L178 HydrophobicContact CG-CD1 4.25Å; E174-L178 VanDerWaalsContact O-CG 3.27Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 2.92Å
175L94.2Very high91.6Very high0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-61.4-47.3174.3-171.176.1000111.6L88 L92 L113 L126 F142 L144 M152 I154 N171 L172 E173 R177 L178 S179L88-L175 HydrophobicContact CD2-CD2 3.61Å; L92-L175 HydrophobicContact CD1-CD1 3.74Å; L92-L175 HydrophobicContact CD1-CD2 4.47Å; L113-L175 HydrophobicContact CD2-CD2 4.4Å; L126-L175 HydrophobicContact CD1-CD1 4.01Å; F142-L175 HydrophobicContact CE1-CD1 4.06Å; F142-L175 HydrophobicContact CZ-CD1 3.91Å; L144-L175 HydrophobicContact CD1-CD1 3.46Å; L144-L175 VanDerWaalsContact CD1-CD1 3.46Å; L144-L175 HydrophobicContact CD1-CG 3.83Å; L144-L175 WeakPolarHBondContact CD1-O 3.42Å; M152-L175 HydrophobicContact CE-CD2 3.86Å; M152-L175 HydrophobicContact CE-CG 4.41Å; M152-L175 HydrophobicContact SD-CD2 4.24Å; M152-L175 HydrophobicContact SD-CG 4.31Å; I154-L175 HydrophobicContact CD1-CD2 4.11Å; N171-L175 WeakPolarHBondContact O-CB 3.39Å; N171-L175 PolarHBondContact O-N 2.96Å; L172-L175 WeakPolarHBondContact O-CB 3.42Å; L172-L175 PolarHBondContact O-N 3.26Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 2.66Å; L175-R177 VanDerWaalsContact C-N 3.32Å; L175-R177 PolarHBondContact O-N 3.07Å; L175-L178 PolarHBondContact O-N 3.28Å; L175-S179 PolarHBondContact O-N 2.83Å
176L94.6Very high92Very high24 Ų2448.2 Ų48.213%0.12627%0.268CS..Hα-helixtrans-60.7-42.7176.6-179.761.1000110.9M152 L172 E173 L178 S179 G181 I185M152-L176 HydrophobicContact CB-CD1 4.07Å; M152-L176 WeakPolarHBondContact O-CD1 3.48Å; L172-L176 PolarHBondContact O-N 3.12Å; E173-L176 PolarHBondContact O-N 3.37Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 3.08Å; L176-S179 WeakPolarHBondContact O-CB 3.49Å; L176-S179 PolarHBondContact O-N 3.09Å; L176-S179 VanDerWaalsContact O-N 3.15Å; L176-S179 PolarHBondContact O-OG 3.06Å; L176-G181 WeakPolarHBondContact O-CA 3.48Å; L176-G181 PolarHBondContact O-N 2.79Å; L176-I185 HydrophobicContact CD2-CG1 4.19Å
177R94.4Very high92.4Very high147 Ų14746 Ų4656%0.55526%0.255SS*.Hα-helixtrans-60.1-42.8175.7-166.2-171.769.173.13.3112.2E173 E174 L175 S179 G180E173-R177 WeakPolarHBondContact O-CB 3.34Å; E173-R177 PolarHBondContact O-N 3.36Å; E174-R177 VanDerWaalsContact CD-NH2 3.31Å; E174-R177 PolarHBondContact O-N 2.86Å; E174-R177 IonicContact OE1-CZ 2.73Å; E174-R177 IonicContact OE1-NE 3.29Å; E174-R177 IonicContact OE1-NH2 2.97Å; E174-R177 PolarHBondContact OE1-NH2 3.26Å; E174-R177 IonicContact OE2-CZ 2.7Å; E174-R177 IonicContact OE2-NE 3.53Å; E174-R177 PolarHBondContact OE2-NE 3.05Å; E174-R177 IonicContact OE2-NH2 3.95Å; E174-R177 PolarHBondContact OE2-NH2 3.42Å; L175-R177 VanDerWaalsContact C-N 3.32Å; L175-R177 PolarHBondContact O-N 3.07Å; R177-S179 VanDerWaalsContact C-N 3.28Å; R177-S179 PolarHBondContact O-N 2.88Å; R177-G180 PolarHBondContact O-N 3.17Å
178L92.9Very high92.5Very high32 Ų3243.9 Ų43.917%0.16824%0.243CC..Hα-helixtrans-68.2-26.6177.3-70.2170.2000113L130 L133 F142 L144 P145 E174 L175 L176 G180L130-L178 HydrophobicContact CD2-CD1 3.56Å; L133-L178 HydrophobicContact CD1-CD1 3.61Å; L133-L178 HydrophobicContact CD2-CD1 4.41Å; F142-L178 HydrophobicContact CD1-CD1 4.31Å; F142-L178 HydrophobicContact CE1-CD1 4.02Å; L144-L178 HydrophobicContact CB-CB 4.05Å; L144-L178 HydrophobicContact CD1-CB 4.35Å; P145-L178 VanDerWaalsContact CA-O 3.32Å; P145-L178 WeakPolarHBondContact CA-O 3.48Å; P145-L178 WeakPolarHBondContact CB-O 3.22Å; E174-L178 HydrophobicContact CG-CD1 4.25Å; E174-L178 VanDerWaalsContact O-CG 3.27Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 2.92Å; L175-L178 PolarHBondContact O-N 3.28Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 3.08Å; L178-G180 PolarHBondContact O-N 3.23Å
179S89.8Confident92.1Very high9 Ų949.8 Ų49.86%0.06328%0.275CS..THydrogen-bonded Turntrans-71.1-9.9175.277.20000113.9L175 L176 R177L175-S179 PolarHBondContact O-N 2.83Å; L176-S179 WeakPolarHBondContact O-CB 3.49Å; L176-S179 PolarHBondContact O-N 3.09Å; L176-S179 VanDerWaalsContact O-N 3.15Å; L176-S179 PolarHBondContact O-OG 3.06Å; R177-S179 VanDerWaalsContact C-N 3.28Å; R177-S179 PolarHBondContact O-N 2.88Å
180G84.7Confident91.6Very high64 Ų6450.3 Ų50.366%0.6629%0.289SS*.THydrogen-bonded Turntrans114.6-6.2-174.800000113.5R177 L178 D182R177-G180 PolarHBondContact O-N 3.17Å; L178-G180 PolarHBondContact O-N 3.23Å; G180-D182 PolarHBondContact O-N 2.79Å
181G82.6Confident91.3Very high45 Ų4548.6 Ų48.646%0.46429%0.291SS..SBendtrans79.9-3.1179.500000114.9L176 G183L176-G181 WeakPolarHBondContact O-CA 3.48Å; L176-G181 PolarHBondContact O-N 2.79Å; G181-G183 PolarHBondContact O-N 2.95Å
182D85.2Confident91.1Very high82 Ų8248.9 Ų48.944%0.43929%0.292SS..  trans-84.7109.1175.9-163.92.7000109.6K151 M152 G180K151-D182 WeakPolarHBondContact CA-O 3.44Å; K151-D182 WeakPolarHBondContact CE-OD1 3.42Å; K151-D182 WeakPolarHBondContact CE-OD2 3.44Å; K151-D182 HydrophobicContact CG-CB 4.41Å; K151-D182 WeakPolarHBondContact CG-OD2 3.2Å; M152-D182 PolarHBondContact N-O 3.28Å; G180-D182 PolarHBondContact O-N 2.79Å
183G91.4Very high90.9Very high25 Ų2551 Ų5126%0.25831%0.306SS..EExtended strand (participates in β ladder)trans146.1-168.4-172.500000113.4M152 G181M152-G183 CarbonylContact O-C 3.57Å; M152-G183 WeakPolarHBondContact O-CA 3.31Å; G181-G183 PolarHBondContact O-N 2.95Å
184Q95.6Very high90.7Very high79 Ų7948.9 Ų48.937%0.36930%0.297SS..EExtended strand (participates in β ladder)trans-158.8144.6-178.1-175.2169.7-300111.8M152 F153 I154 F186M152-Q184 PolarHBondContact O-N 2.79Å; M152-Q184 VanDerWaalsContact O-N 3.07Å; F153-Q184 WeakPolarHBondContact CA-O 3.26Å; F153-Q184 HydrophobicContact CD1-CB 4.25Å; I154-Q184 PolarHBondContact N-O 3.42Å; Q184-F186 HydrophobicContact CB-CD2 4.5Å; Q184-F186 HydrophobicContact CB-CE2 3.89Å; Q184-F186 HydrophobicContact CB-CZ 4.08Å; Q184-F186 HydrophobicContact CG-CD2 4.43Å; Q184-F186 HydrophobicContact CG-CE1 4.31Å; Q184-F186 HydrophobicContact CG-CE2 4.09Å; Q184-F186 HydrophobicContact CG-CZ 4.02Å
185I96.3Very high90.5Very high25 Ų2554 Ų5413%0.12832%0.319CS..EExtended strand (participates in β ladder)trans-92.1128.4167.1-55.2174.4000108.2I154 M169 L172 E173 L176 T187I154-I185 HydrophobicContact CB-CG1 4.26Å; I154-I185 HydrophobicContact CD1-CG1 4.3Å; I154-I185 CarbonylContact O-C 3.46Å; I154-I185 WeakPolarHBondContact O-CA 3.38Å; M169-I185 HydrophobicContact CE-CG2 4.41Å; M169-I185 HydrophobicContact SD-CG2 4.36Å; L172-I185 HydrophobicContact CB-CD1 3.82Å; E173-I185 HydrophobicContact CB-CD1 4.36Å; E173-I185 HydrophobicContact CG-CD1 3.71Å; L176-I185 HydrophobicContact CD2-CG1 4.19Å; I185-T187 HydrophobicContact CG2-CG2 4.32Å
186F96.6Very high90.4Very high7 Ų754.8 Ų54.83%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-109.8125.4174.5-63.2-88.5000109.1F153 I154 L155 C156 Q184 M200 M203 L204F153-F186 HydrophobicContact CB-CE2 4.29Å; F153-F186 AromaticContact CD1-CE2 3.83Å; F153-F186 HydrophobicContact CD1-CE2 3.83Å; F153-F186 HydrophobicContact CG-CE2 4.41Å; I154-F186 PolarHBondContact O-N 3.26Å; L155-F186 HydrophobicContact CG-CB 4.29Å; L155-F186 HydrophobicContact CG-CD2 4.27Å; C156-F186 PolarHBondContact N-O 3.14Å; Q184-F186 HydrophobicContact CB-CD2 4.5Å; Q184-F186 HydrophobicContact CB-CE2 3.89Å; Q184-F186 HydrophobicContact CB-CZ 4.08Å; Q184-F186 HydrophobicContact CG-CD2 4.43Å; Q184-F186 HydrophobicContact CG-CE1 4.31Å; Q184-F186 HydrophobicContact CG-CE2 4.09Å; Q184-F186 HydrophobicContact CG-CZ 4.02Å; F186-M200 HydrophobicContact CB-CG 3.59Å; F186-M200 HydrophobicContact CB-SD 3.88Å; F186-M200 HydrophobicContact CG-CG 4.46Å; F186-M203 HydrophobicContact CD1-CB 4.12Å; F186-M203 HydrophobicContact CD1-CE 4.26Å; F186-M203 HydrophobicContact CE1-CB 3.79Å; F186-L204 HydrophobicContact CE2-CB 4.4Å; F186-L204 HydrophobicContact CE2-CD1 4Å; F186-L204 HydrophobicContact CZ-CB 4.4Å; F186-L204 HydrophobicContact CZ-CD1 4.45Å
187T94.4Very high90.4Very high25 Ų2553.7 Ų53.715%0.15332%0.318CS..EExtended strand (participates in β ladder)trans-115.8159.9174.756.40000109.9C156 L163 M169 I185 D189C156-T187 HydrophobicContact CB-CG2 4.38Å; L163-T187 HydrophobicContact CD1-CG2 3.58Å; M169-T187 HydrophobicContact SD-CG2 4.41Å; I185-T187 HydrophobicContact CG2-CG2 4.32Å; T187-D189 PolarHBondContact O-N 2.93Å
188V90.7Very high90.4Very high3 Ų350.3 Ų50.32%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-79.5122.7176.9173.70000110.7A158 L192 S196 V197 M200A158-V188 PolarHBondContact O-N 3.1Å; A158-V188 VanDerWaalsContact O-N 3.14Å; V188-L192 HydrophobicContact CB-CD1 4.16Å; V188-L192 HydrophobicContact CG1-CD1 4.11Å; V188-L192 HydrophobicContact CG2-CD1 3.74Å; V188-S196 WeakPolarHBondContact CG1-OG 3.38Å; V188-V197 HydrophobicContact CG2-CG2 3.99Å; V188-M200 HydrophobicContact CG2-CE 4.3Å; V188-M200 HydrophobicContact CG2-SD 4.04Å
189D83.7Confident90.6Very high124 Ų12451.6 Ų51.666%0.66332%0.324SS*.  trans-80.7118.4172.3-72-26.2000110.8T187T187-D189 PolarHBondContact O-N 2.93Å
190G83.8Confident90.9Very high47 Ų4751.2 Ų51.249%0.48532%0.321SS..SBendtrans81.3-149.4178.800000113.9
191P87Confident91.5Very high103 Ų10348.2 Ų48.267%0.66929%0.29SS*.SBendtrans-68136.6-176.628.1-33.2000111.1C193 S196P191-C193 PolarHBondContact O-N 3.49Å; P191-C193 VanDerWaalsContact O-N 3.15Å; P191-C193 PolarHBondContact O-SG 3.47Å; P191-S196 PolarHBondContact O-OG 2.83Å
192L89.9Confident92.2Very high24 Ų2446.8 Ų46.813%0.12628%0.275CS..  trans-66.1114.2174.9-172.164.1000109V17 R27 L30 I157 V188 V197V17-L192 HydrophobicContact CB-CD2 4.48Å; V17-L192 HydrophobicContact CG1-CB 4.06Å; V17-L192 HydrophobicContact CG1-CD2 4.13Å; V17-L192 HydrophobicContact CG1-CG 3.85Å; V17-L192 WeakPolarHBondContact CG1-O 3.28Å; V17-L192 HydrophobicContact CG2-CD2 4.27Å; R27-L192 HydrophobicContact CG-CD2 4.28Å; L30-L192 HydrophobicContact CD1-CD1 4.01Å; L30-L192 HydrophobicContact CD1-CD2 4.45Å; L30-L192 HydrophobicContact CD1-CG 3.83Å; I157-L192 HydrophobicContact CG2-CD1 3.98Å; I157-L192 HydrophobicContact CG2-CD2 4.35Å; V188-L192 HydrophobicContact CB-CD1 4.16Å; V188-L192 HydrophobicContact CG1-CD1 4.11Å; V188-L192 HydrophobicContact CG2-CD1 3.74Å; L192-V197 HydrophobicContact CD1-CG2 4.12Å
193C90.4Very high92.7Very high47 Ų4746.7 Ų46.732%0.31827%0.273SS..SBendtrans-159.9172.1-179.365.40000110.1P191 K195 S196 V197P191-C193 PolarHBondContact O-N 3.49Å; P191-C193 VanDerWaalsContact O-N 3.15Å; P191-C193 PolarHBondContact O-SG 3.47Å; C193-K195 VanDerWaalsContact C-N 3.3Å; C193-K195 PolarHBondContact O-N 3.49Å; C193-S196 PolarHBondContact N-OG 2.75Å; C193-S196 VanDerWaalsContact N-OG 3.09Å; C193-S196 PolarHBondContact O-N 3.01Å; C193-S196 PolarHBondContact O-OG 3.43Å; C193-S196 VanDerWaalsContact O-OG 3.05Å; C193-S196 PolarHBondContact SG-OG 3.41Å; C193-S196 VanDerWaalsContact SG-OG 3.38Å; C193-V197 PolarHBondContact O-N 3.36Å; C193-V197 VanDerWaalsContact O-N 3.13Å
194M90.8Very high92.9Very high57 Ų5745.5 Ų45.528%0.28126%0.261SS..Hα-helixtrans-55.1-45.9179.6-161.770.1115.800112.7L30 H33 S196 V197 Q198L30-M194 HydrophobicContact CD2-CB 4.38Å; L30-M194 HydrophobicContact CD2-SD 3.74Å; H33-M194 HydrophobicContact CB-CE 3.68Å; H33-M194 HydrophobicContact CB-SD 3.49Å; H33-M194 WeakPolarHBondContact CB-SD 3.05Å; H33-M194 PolarHBondContact CD2-SD 2.95Å; H33-M194 WeakPolarHBondContact ND1-CE 3.25Å; M194-S196 PolarHBondContact O-N 3.36Å; M194-V197 PolarHBondContact O-N 3.35Å; M194-Q198 WeakPolarHBondContact O-CG 3.45Å; M194-Q198 PolarHBondContact O-N 3.35Å
195K91.8Very high92.9Very high166 Ų16642.2 Ų42.272%0.72225%0.246SC*.Hα-helixtrans-63.1-41.6-177.6-177.6-179.9177.6-178.70112.3C193 Q198 A199C193-K195 VanDerWaalsContact C-N 3.3Å; C193-K195 PolarHBondContact O-N 3.49Å; K195-Q198 PolarHBondContact O-N 3.49Å; K195-A199 PolarHBondContact O-N 2.83Å
196S92.7Very high92.7Very high16 Ų1646.8 Ų46.811%0.11227%0.27CS..Hα-helixtrans-73.3-34.5-177.862.80000111.7V188 P191 C193 M194 A199 M200V188-S196 WeakPolarHBondContact CG1-OG 3.38Å; P191-S196 PolarHBondContact O-OG 2.83Å; C193-S196 PolarHBondContact N-OG 2.75Å; C193-S196 VanDerWaalsContact N-OG 3.09Å; C193-S196 PolarHBondContact O-N 3.01Å; C193-S196 PolarHBondContact O-OG 3.43Å; C193-S196 VanDerWaalsContact O-OG 3.05Å; C193-S196 PolarHBondContact SG-OG 3.41Å; C193-S196 VanDerWaalsContact SG-OG 3.38Å; M194-S196 PolarHBondContact O-N 3.36Å; S196-A199 PolarHBondContact O-N 3.49Å; S196-M200 PolarHBondContact O-N 2.92Å
197V93.9Very high92.5Very high0 Ų054.7 Ų54.70%030%0.3CS..Hα-helixtrans-68.4-40.8171.2174.60000111.9L30 I157 V188 L192 C193 M194 A199 M200 F201L30-V197 HydrophobicContact CB-CG1 4.47Å; L30-V197 HydrophobicContact CB-CG2 4.08Å; L30-V197 HydrophobicContact CD1-CG2 3.99Å; I157-V197 HydrophobicContact CD1-CG1 4.18Å; I157-V197 HydrophobicContact CD1-CG2 4.38Å; V188-V197 HydrophobicContact CG2-CG2 3.99Å; L192-V197 HydrophobicContact CD1-CG2 4.12Å; C193-V197 PolarHBondContact O-N 3.36Å; C193-V197 VanDerWaalsContact O-N 3.13Å; M194-V197 PolarHBondContact O-N 3.35Å; V197-A199 VanDerWaalsContact C-N 3.31Å; V197-A199 PolarHBondContact O-N 2.88Å; V197-M200 HydrophobicContact CG1-CE 4.28Å; V197-M200 WeakPolarHBondContact O-CB 3.39Å; V197-M200 PolarHBondContact O-N 2.85Å; V197-M200 VanDerWaalsContact O-N 3.16Å; V197-F201 HydrophobicContact CG1-CD2 3.77Å; V197-F201 HydrophobicContact CG1-CE2 3.83Å; V197-F201 WeakPolarHBondContact O-CD2 3.24Å; V197-F201 PolarHBondContact O-N 3.45Å
198Q94.3Very high92.3Very high76 Ų7654.1 Ų54.136%0.35530%0.298SS..Hα-helixtrans-59-42.6172.7-75.7177.2-4300112.1H33 M37 M194 K195 M200 F201 G202H33-Q198 PolarHBondContact NE2-NE2 2.83Å; M37-Q198 HydrophobicContact SD-CB 3.98Å; M37-Q198 HydrophobicContact SD-CG 4.07Å; M194-Q198 WeakPolarHBondContact O-CG 3.45Å; M194-Q198 PolarHBondContact O-N 3.35Å; K195-Q198 PolarHBondContact O-N 3.49Å; Q198-M200 VanDerWaalsContact C-N 3.32Å; Q198-M200 PolarHBondContact O-N 3.33Å; Q198-F201 PolarHBondContact O-N 3.03Å; Q198-G202 PolarHBondContact O-N 3.23Å
199A95.9Very high92.4Very high59 Ų5954 Ų5449%0.48830%0.297SS..Hα-helixtrans-61.5-42.1175.100000111.6K195 S196 V197 G202 M203K195-A199 PolarHBondContact O-N 2.83Å; S196-A199 PolarHBondContact O-N 3.49Å; V197-A199 VanDerWaalsContact C-N 3.31Å; V197-A199 PolarHBondContact O-N 2.88Å; A199-G202 PolarHBondContact O-N 3.35Å; A199-M203 WeakPolarHBondContact O-CG 3.41Å; A199-M203 PolarHBondContact O-N 3.04Å
200M96.5Very high92.8Very high2 Ų250 Ų501%0.0128%0.279CS..Hα-helixtrans-60.2-47.5176.4-171.4-177.158.700112.7L155 I157 F186 V188 S196 V197 Q198 G202 M203 L204L155-M200 HydrophobicContact CB-CE 3.95Å; L155-M200 HydrophobicContact CB-SD 4.4Å; L155-M200 HydrophobicContact CD2-CE 4.13Å; L155-M200 HydrophobicContact CD2-CG 4.44Å; I157-M200 HydrophobicContact CD1-CE 3.94Å; F186-M200 HydrophobicContact CB-CG 3.59Å; F186-M200 HydrophobicContact CB-SD 3.88Å; F186-M200 HydrophobicContact CG-CG 4.46Å; V188-M200 HydrophobicContact CG2-CE 4.3Å; V188-M200 HydrophobicContact CG2-SD 4.04Å; S196-M200 PolarHBondContact O-N 2.92Å; V197-M200 HydrophobicContact CG1-CE 4.28Å; V197-M200 WeakPolarHBondContact O-CB 3.39Å; V197-M200 PolarHBondContact O-N 2.85Å; V197-M200 VanDerWaalsContact O-N 3.16Å; Q198-M200 VanDerWaalsContact C-N 3.32Å; Q198-M200 PolarHBondContact O-N 3.33Å; M200-G202 VanDerWaalsContact C-N 3.34Å; M200-M203 PolarHBondContact O-N 3.49Å; M200-L204 PolarHBondContact O-N 3.16Å
201F97.6Very high93.1Very high0 Ų049 Ų490%026%0.264CS..Hα-helixtrans-68.8-31.4175.5-85.1-96.6000112.6G34 L35 M37 L38 V114 L155 V197 Q198 L204 I205G34-F201 VanDerWaalsContact C-CD1 3.46Å; G34-F201 VanDerWaalsContact C-CE1 3.43Å; G34-F201 WeakPolarHBondContact O-CD1 3.29Å; L35-F201 HydrophobicContact CD2-CE1 3.88Å; L35-F201 HydrophobicContact CD2-CZ 4.31Å; L35-F201 HydrophobicContact CG-CE1 4.1Å; L35-F201 HydrophobicContact CG-CZ 4.14Å; M37-F201 HydrophobicContact SD-CB 4.31Å; L38-F201 HydrophobicContact CB-CD1 4.15Å; V114-F201 HydrophobicContact CG1-CZ 4.36Å; V114-F201 HydrophobicContact CG2-CZ 4.09Å; L155-F201 HydrophobicContact CD2-CD1 3.77Å; L155-F201 HydrophobicContact CD2-CD2 3.75Å; L155-F201 HydrophobicContact CD2-CE1 3.69Å; L155-F201 HydrophobicContact CD2-CE2 3.68Å; L155-F201 HydrophobicContact CD2-CG 3.82Å; L155-F201 HydrophobicContact CD2-CZ 3.67Å; V197-F201 HydrophobicContact CG1-CD2 3.77Å; V197-F201 HydrophobicContact CG1-CE2 3.83Å; V197-F201 WeakPolarHBondContact O-CD2 3.24Å; V197-F201 PolarHBondContact O-N 3.45Å; Q198-F201 PolarHBondContact O-N 3.03Å; F201-L204 HydrophobicContact CD1-CD2 4.4Å; F201-L204 WeakPolarHBondContact O-CB 3.33Å; F201-L204 PolarHBondContact O-N 3.45Å; F201-I205 WeakPolarHBondContact O-CG1 3.43Å; F201-I205 PolarHBondContact O-N 2.96Å
202G96.7Very high93.4Very high15 Ų1545.3 Ų45.316%0.15524%0.237CC..Hα-helixtrans-58.2-45.1169.800000112.2Q198 A199 M200 L204 I205 D206Q198-G202 PolarHBondContact O-N 3.23Å; A199-G202 PolarHBondContact O-N 3.35Å; M200-G202 VanDerWaalsContact C-N 3.34Å; G202-L204 VanDerWaalsContact C-N 3.33Å; G202-L204 PolarHBondContact O-N 3.04Å; G202-I205 WeakPolarHBondContact O-CB 3.36Å; G202-I205 PolarHBondContact O-N 3.08Å; G202-I205 VanDerWaalsContact O-N 3.15Å; G202-D206 PolarHBondContact O-N 3.35Å
203M96.3Very high93.7Very high80 Ų8049.1 Ų49.139%0.39425%0.254SS..Hα-helixtrans-61.6-39.1175.1-66.3-170.6-72.600112.7F186 A199 M200 R207F186-M203 HydrophobicContact CD1-CB 4.12Å; F186-M203 HydrophobicContact CD1-CE 4.26Å; F186-M203 HydrophobicContact CE1-CB 3.79Å; A199-M203 WeakPolarHBondContact O-CG 3.41Å; A199-M203 PolarHBondContact O-N 3.04Å; M200-M203 PolarHBondContact O-N 3.49Å; M203-R207 WeakPolarHBondContact O-CB 3.42Å; M203-R207 PolarHBondContact O-N 3.18Å
204L96.1Very high94Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-61-47.3172.8173.370.7000111.1L38 V112 F153 L155 F186 M200 F201 G202 D206 R207 A208 Y209L38-L204 HydrophobicContact CD1-CD2 4.4Å; L38-L204 HydrophobicContact CD2-CD2 4.09Å; V112-L204 HydrophobicContact CG1-CD2 4.02Å; V112-L204 HydrophobicContact CG2-CD2 4.47Å; F153-L204 HydrophobicContact CB-CD1 3.67Å; F153-L204 HydrophobicContact CD1-CD1 3.99Å; F153-L204 HydrophobicContact CD2-CD1 3.79Å; F153-L204 HydrophobicContact CE2-CD1 4.43Å; F153-L204 HydrophobicContact CG-CD1 3.53Å; L155-L204 HydrophobicContact CD1-CD2 3.95Å; L155-L204 HydrophobicContact CD2-CB 4.37Å; L155-L204 HydrophobicContact CD2-CD2 4.03Å; F186-L204 HydrophobicContact CE2-CB 4.4Å; F186-L204 HydrophobicContact CE2-CD1 4Å; F186-L204 HydrophobicContact CZ-CB 4.4Å; F186-L204 HydrophobicContact CZ-CD1 4.45Å; M200-L204 PolarHBondContact O-N 3.16Å; F201-L204 HydrophobicContact CD1-CD2 4.4Å; F201-L204 WeakPolarHBondContact O-CB 3.33Å; F201-L204 PolarHBondContact O-N 3.45Å; G202-L204 VanDerWaalsContact C-N 3.33Å; G202-L204 PolarHBondContact O-N 3.04Å; L204-D206 PolarHBondContact O-N 3.34Å; L204-R207 PolarHBondContact O-N 3.08Å; L204-A208 HydrophobicContact CD1-CB 4.22Å; L204-A208 WeakPolarHBondContact O-CB 3.3Å; L204-A208 PolarHBondContact O-N 3.38Å; L204-Y209 HydrophobicContact CD1-CE2 4.28Å; L204-Y209 HydrophobicContact CD2-CE2 4.19Å; L204-Y209 HydrophobicContact CG-CD2 4.27Å; L204-Y209 HydrophobicContact CG-CE2 4.05Å
205I95.8Very high94.3Very high10 Ų1046.1 Ų46.15%0.05124%0.239CC..Hα-helixtrans-57.8-50.6179.8-74.8163.9000110.5M37 L38 H41 F201 G202 R207 A208 Y209 S210M37-I205 HydrophobicContact CE-CD1 4.18Å; M37-I205 HydrophobicContact CG-CD1 4.37Å; L38-I205 HydrophobicContact CD1-CG1 3.83Å; H41-I205 HydrophobicContact CB-CD1 3.89Å; H41-I205 HydrophobicContact CB-CG1 4.41Å; H41-I205 VanDerWaalsContact CE1-CG2 3.48Å; H41-I205 WeakPolarHBondContact CE1-CG2 3.42Å; H41-I205 WeakPolarHBondContact NE2-CG2 3.17Å; F201-I205 WeakPolarHBondContact O-CG1 3.43Å; F201-I205 PolarHBondContact O-N 2.96Å; G202-I205 WeakPolarHBondContact O-CB 3.36Å; G202-I205 PolarHBondContact O-N 3.08Å; G202-I205 VanDerWaalsContact O-N 3.15Å; I205-R207 PolarHBondContact O-N 3.01Å; I205-A208 PolarHBondContact O-N 3.43Å; I205-Y209 CarbonylContact O-C 3.56Å; I205-Y209 VanDerWaalsContact O-C 3.25Å; I205-Y209 WeakPolarHBondContact O-CA 3.34Å; I205-Y209 PolarHBondContact O-N 2.96Å; I205-S210 PolarHBondContact O-N 3.23Å
206D92.4Very high94.5Very high121 Ų12138.2 Ų38.265%0.64720%0.204SC*.Hα-helixtrans-61.4-37.3-180-68.4-22.1000111.6G202 L204G202-D206 PolarHBondContact O-N 3.35Å; L204-D206 PolarHBondContact O-N 3.34Å
207R90.7Very high94.8Very high173 Ų17340 Ų4065%0.65321%0.211SC*.Hα-helixtrans-75.6-42.2-177.2-17559.6175.2147.52.3113.5F153 M203 L204 I205F153-R207 HydrophobicContact CE1-CG 4.48Å; M203-R207 WeakPolarHBondContact O-CB 3.42Å; M203-R207 PolarHBondContact O-N 3.18Å; L204-R207 PolarHBondContact O-N 3.08Å; I205-R207 PolarHBondContact O-N 3.01Å
208A91.5Very high95Very high14 Ų1441.4 Ų41.412%0.11622%0.221CC..Hα-helixtrans-120.9-23.2-163.900000114.5F153 L204 I205F153-A208 HydrophobicContact CD2-CB 4.39Å; F153-A208 HydrophobicContact CE1-CB 4.49Å; F153-A208 HydrophobicContact CE2-CB 3.63Å; F153-A208 HydrophobicContact CZ-CB 3.68Å; L204-A208 HydrophobicContact CD1-CB 4.22Å; L204-A208 WeakPolarHBondContact O-CB 3.3Å; L204-A208 PolarHBondContact O-N 3.38Å; I205-A208 PolarHBondContact O-N 3.43Å
209Y92.8Very high95Very high0 Ų040.5 Ų40.50%023%0.232CC..SBendtrans-125.819.4-172.1-58-73.4000113.4T3 L38 H41 M42 Y46 Q110 V112 L204 I205T3-Y209 WeakPolarHBondContact CG2-OH 3.48Å; T3-Y209 WeakPolarHBondContact OG1-CE1 3.27Å; T3-Y209 PolarHBondContact OG1-OH 2.9Å; L38-Y209 HydrophobicContact CD1-CD2 3.7Å; L38-Y209 HydrophobicContact CD1-CE2 3.91Å; L38-Y209 HydrophobicContact CD1-CG 4.31Å; H41-Y209 PolarHBondContact NE2-O 3.42Å; M42-Y209 HydrophobicContact CE-CD1 4Å; M42-Y209 HydrophobicContact CE-CE1 3.74Å; Y46-Y209 AromaticContact CD1-CD1 3.9Å; Y46-Y209 HydrophobicContact CD1-CD1 3.9Å; Y46-Y209 HydrophobicContact CE1-CD1 4.07Å; Q110-Y209 PolarHBondContact OE1-OH 3.06Å; V112-Y209 WeakPolarHBondContact CG2-OH 3.36Å; L204-Y209 HydrophobicContact CD1-CE2 4.28Å; L204-Y209 HydrophobicContact CD2-CE2 4.19Å; L204-Y209 HydrophobicContact CG-CD2 4.27Å; L204-Y209 HydrophobicContact CG-CE2 4.05Å; I205-Y209 CarbonylContact O-C 3.56Å; I205-Y209 VanDerWaalsContact O-C 3.25Å; I205-Y209 WeakPolarHBondContact O-CA 3.34Å; I205-Y209 PolarHBondContact O-N 2.96Å
210S91.1Very high95Very high41 Ų4146 Ų4629%0.28725%0.252SS..  trans-75.3122.6169.4173.80000109.6I205 R230I205-S210 PolarHBondContact O-N 3.23Å; S210-R230 PolarHBondContact O-NH1 2.85Å
211P90.9Very high95Very high26 Ų2650 Ų5017%0.16927%0.274CS..  trans-61.6149176.429.3-35.9000110.6Q226P211-Q226 HydrophobicContact CB-CG 4.39Å; P211-Q226 VanDerWaalsContact CB-NE2 3.27Å
212F94.2Very high94.9Very high24 Ų2453.4 Ų53.411%0.10530%0.298CS..EExtended strand (participates in β ladder)trans-95.9111.9173.5-174.4-91.5000109.2A214 Q226 V227 R230 V247 T249F212-A214 HydrophobicContact CD1-CB 4.3Å; F212-A214 HydrophobicContact CE1-CB 3.82Å; F212-Q226 WeakPolarHBondContact O-CA 3.32Å; F212-V227 HydrophobicContact CD1-CB 3.73Å; F212-V227 HydrophobicContact CD1-CG2 3.83Å; F212-V227 HydrophobicContact CE1-CB 4.45Å; F212-V227 HydrophobicContact CE1-CG2 4.18Å; F212-V227 PolarHBondContact O-N 3.13Å; F212-R230 HydrophobicContact CB-CB 4.3Å; F212-R230 HydrophobicContact CB-CG 4.08Å; F212-R230 HydrophobicContact CD2-CG 4.46Å; F212-V247 HydrophobicContact CZ-CB 4.4Å; F212-V247 HydrophobicContact CZ-CG1 4.41Å; F212-T249 HydrophobicContact CZ-CG2 4.39Å
213H94.9Very high94.8Very high104 Ų10453.1 Ų53.148%0.48129%0.293SS..EExtended strand (participates in β ladder)trans-98.4138.8174.9-60.5163.6000109.8V225 I276H213-V225 WeakPolarHBondContact CA-O 3.24Å; H213-I276 HydrophobicContact CB-CD1 4.18Å; H213-I276 WeakPolarHBondContact CD2-CD1 3.36Å
214A96.3Very high94.8Very high7 Ų751.7 Ų51.76%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-145.5167.3179.400000109.7F212 V225 V227 T249 L251F212-A214 HydrophobicContact CD1-CB 4.3Å; F212-A214 HydrophobicContact CE1-CB 3.82Å; A214-V225 HydrophobicContact CB-CG2 4.04Å; A214-V225 PolarHBondContact N-O 3.43Å; A214-V225 WeakPolarHBondContact O-CG2 3.46Å; A214-V225 PolarHBondContact O-N 2.85Å; A214-V225 VanDerWaalsContact O-O 3.11Å; A214-V227 HydrophobicContact CB-CG2 4.43Å; A214-T249 CarbonylContact C-O 3.44Å; A214-T249 WeakPolarHBondContact CA-O 3.27Å; A214-T249 WeakPolarHBondContact CB-O 3.19Å; A214-L251 HydrophobicContact CB-CD1 3.85Å; A214-L251 HydrophobicContact CB-CG 4.05Å
215V97.1Very high94.7Very high35 Ų3551.7 Ų51.721%0.21229%0.287CS..EExtended strand (participates in β ladder)trans-112.4121.6171.7-166.60000108H217 T249 L251V215-H217 WeakPolarHBondContact CB-NE2 3.38Å; V215-H217 VanDerWaalsContact CG1-CE1 3.43Å; V215-H217 WeakPolarHBondContact CG1-CE1 3.38Å; V215-H217 WeakPolarHBondContact CG1-NE2 3.49Å; V215-H217 PolarHBondContact O-CD2 2.83Å; V215-T249 PolarHBondContact N-O 3Å; V215-L251 PolarHBondContact O-N 3.3Å
216L97.9Very high94.7Very high0 Ų052.9 Ų52.90%029%0.292CS..EExtended strand (participates in β ladder)trans-89.9121.8176.6179.263.9000109.5S222 S223 V225 L251 I253 F309 L313 L336 L348L216-S222 CarbonylContact O-C 3.51Å; L216-S222 WeakPolarHBondContact O-CA 3.01Å; L216-S223 PolarHBondContact N-O 2.99Å; L216-S223 PolarHBondContact O-N 3.26Å; L216-V225 HydrophobicContact CB-CG1 3.98Å; L216-V225 HydrophobicContact CB-CG2 4.06Å; L216-L251 HydrophobicContact CD1-CB 4.01Å; L216-I253 HydrophobicContact CD1-CD1 4.05Å; L216-I253 HydrophobicContact CD1-CG1 4.06Å; L216-F309 HydrophobicContact CD2-CD1 4.32Å; L216-F309 HydrophobicContact CD2-CE1 4.06Å; L216-F309 HydrophobicContact CG-CD1 4.37Å; L216-F309 HydrophobicContact CG-CE1 3.99Å; L216-L313 HydrophobicContact CD2-CD2 3.77Å; L216-L336 HydrophobicContact CD1-CD1 3.5Å; L216-L336 HydrophobicContact CD2-CD1 4.27Å; L216-L348 HydrophobicContact CD2-CD2 4.27Å
217H97.8Very high94.9Very high52 Ų5247.2 Ų47.224%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-116.2142.4-177.5-65.3-80.4000112.3V215 L221 L251 I253V215-H217 WeakPolarHBondContact CB-NE2 3.38Å; V215-H217 VanDerWaalsContact CG1-CE1 3.43Å; V215-H217 WeakPolarHBondContact CG1-CE1 3.38Å; V215-H217 WeakPolarHBondContact CG1-NE2 3.49Å; V215-H217 PolarHBondContact O-CD2 2.83Å; H217-L221 CarbonylContact C-O 3.52Å; H217-L221 WeakPolarHBondContact CA-O 3.46Å; H217-L251 PolarHBondContact N-O 3.36Å; H217-I253 WeakPolarHBondContact O-CB 3.17Å; H217-I253 WeakPolarHBondContact O-CG1 3.31Å; H217-I253 PolarHBondContact O-N 3.38Å
218C97.8Very high95Very high31 Ų3139.6 Ų39.621%0.20923%0.234CC..EExtended strand (participates in β ladder)trans-140.187.7164.8-178.60000107.9N220 L221 I253 F309C218-N220 PolarHBondContact O-N 2.86Å; C218-L221 HydrophobicContact CB-CB 4.4Å; C218-L221 PolarHBondContact N-O 3.12Å; C218-L221 PolarHBondContact O-N 2.84Å; C218-L221 VanDerWaalsContact O-N 3.1Å; C218-I253 HydrophobicContact CB-CB 4.15Å; C218-I253 HydrophobicContact CB-CD1 4.15Å; C218-F309 HydrophobicContact CB-CE1 3.89Å; C218-F309 HydrophobicContact CB-CE2 4.19Å; C218-F309 HydrophobicContact CB-CZ 3.36Å
219G95.4Very high95Very high57 Ų5740.1 Ų40.159%0.58824%0.236SC*.THydrogen-bonded Turntrans57.1-119.8-166.300000110.7L221G219-L221 VanDerWaalsContact C-N 3.34Å
220N95.9Very high94.9Very high173 Ų17344.9 Ų44.993%0.92525%0.254SS*.THydrogen-bonded Turntrans-83.9-5.9-179.3-62.6-33.5000114.2C218C218-N220 PolarHBondContact O-N 2.86Å
221L96.3Very high94.9Very high88 Ų8843.4 Ų43.446%0.46124%0.243SC..EExtended strand (participates in β ladder)trans-84.3128.2174.3-60.1177000108.8H217 C218 G219 F309H217-L221 CarbonylContact C-O 3.52Å; H217-L221 WeakPolarHBondContact CA-O 3.46Å; C218-L221 HydrophobicContact CB-CB 4.4Å; C218-L221 PolarHBondContact N-O 3.12Å; C218-L221 PolarHBondContact O-N 2.84Å; C218-L221 VanDerWaalsContact O-N 3.1Å; G219-L221 VanDerWaalsContact C-N 3.34Å; L221-F309 HydrophobicContact CB-CD1 4.41Å; L221-F309 HydrophobicContact CB-CD2 3.8Å; L221-F309 HydrophobicContact CB-CE1 4.47Å; L221-F309 HydrophobicContact CB-CE2 3.89Å; L221-F309 HydrophobicContact CB-CG 4.09Å; L221-F309 HydrophobicContact CB-CZ 4.25Å; L221-F309 HydrophobicContact CD1-CD2 3.91Å; L221-F309 HydrophobicContact CD1-CE2 3.69Å; L221-F309 HydrophobicContact CG-CD2 4.41Å; L221-F309 HydrophobicContact CG-CE2 4.45Å
222S95.2Very high94.8Very high71 Ų7145.9 Ų45.950%0.49725%0.253SS..EExtended strand (participates in β ladder)trans-139.4149.2179.163.10000112.3L216L216-S222 CarbonylContact O-C 3.51Å; L216-S222 WeakPolarHBondContact O-CA 3.01Å
223S94.8Very high94.5Very high9 Ų948.2 Ų48.26%0.06327%0.27CS..EExtended strand (participates in β ladder)trans-145.5141.8165178.20000110.2L216 N308L216-S223 PolarHBondContact N-O 2.99Å; L216-S223 PolarHBondContact O-N 3.26Å; S223-N308 PolarHBondContact OG-ND2 3.15Å
224D95.3Very high94.1Very high49 Ų4944.2 Ų44.226%0.26225%0.253SS..EExtended strand (participates in β ladder)trans-69.5133.7166.2-59.6-57.7000109.5I276 V278D224-I276 HydrophobicContact CB-CB 4.42Å; D224-I276 PolarHBondContact O-N 2.84Å; D224-V278 HydrophobicContact CB-CG2 3.46Å; D224-V278 VanDerWaalsContact CB-CG2 3.46Å; D224-V278 VanDerWaalsContact OD2-CG2 3.27Å; D224-V278 WeakPolarHBondContact OD2-CG2 3.24Å
225V95.6Very high93.4Very high0 Ų047.1 Ų47.10%027%0.27CS..EExtended strand (participates in β ladder)trans-138.2150-173.4-63.90000113H213 A214 L216 L251 V273 L274 I276 C310H213-V225 WeakPolarHBondContact CA-O 3.24Å; A214-V225 HydrophobicContact CB-CG2 4.04Å; A214-V225 PolarHBondContact N-O 3.43Å; A214-V225 WeakPolarHBondContact O-CG2 3.46Å; A214-V225 PolarHBondContact O-N 2.85Å; A214-V225 VanDerWaalsContact O-O 3.11Å; L216-V225 HydrophobicContact CB-CG1 3.98Å; L216-V225 HydrophobicContact CB-CG2 4.06Å; V225-L251 HydrophobicContact CG2-CD1 4.41Å; V225-V273 HydrophobicContact CB-CG1 3.79Å; V225-V273 HydrophobicContact CG1-CG1 3.81Å; V225-V273 HydrophobicContact CG2-CG1 4.03Å; V225-L274 CarbonylContact C-O 3.45Å; V225-L274 WeakPolarHBondContact CA-O 3.18Å; V225-I276 WeakPolarHBondContact O-CD1 3.34Å; V225-C310 WeakPolarHBondContact CG1-SG 3.28Å
226Q95.1Very high92.3Very high36 Ų3646.6 Ų46.617%0.16827%0.267CS..EExtended strand (participates in β ladder)trans-101.6128.6166.7-173.4-176.324.900108.8N45 P211 F212 V273 L274 I276N45-Q226 PolarHBondContact O-NE2 2.8Å; P211-Q226 HydrophobicContact CB-CG 4.39Å; P211-Q226 VanDerWaalsContact CB-NE2 3.27Å; F212-Q226 WeakPolarHBondContact O-CA 3.32Å; Q226-V273 WeakPolarHBondContact O-CA 3.36Å; Q226-L274 HydrophobicContact CB-CB 4.5Å; Q226-L274 PolarHBondContact N-O 3.39Å; Q226-L274 PolarHBondContact O-N 3.48Å; Q226-I276 HydrophobicContact CB-CD1 3.94Å; Q226-I276 HydrophobicContact CB-CG1 3.93Å
227V95.6Very high90.7Very high1 Ų154 Ų541%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-99.5119.3172.5-175.60000108.7F212 A214 P231 L251 H271 L272 M350F212-V227 HydrophobicContact CD1-CB 3.73Å; F212-V227 HydrophobicContact CD1-CG2 3.83Å; F212-V227 HydrophobicContact CE1-CB 4.45Å; F212-V227 HydrophobicContact CE1-CG2 4.18Å; F212-V227 PolarHBondContact O-N 3.13Å; A214-V227 HydrophobicContact CB-CG2 4.43Å; V227-P231 HydrophobicContact CG1-CG 3.74Å; V227-L251 HydrophobicContact CG2-CD1 4.11Å; V227-H271 HydrophobicContact CG1-CB 3.39Å; V227-L272 WeakPolarHBondContact CA-O 3.36Å; V227-M350 HydrophobicContact CB-CE 4.47Å; V227-M350 HydrophobicContact CG1-CE 3.55Å; V227-M350 HydrophobicContact CG2-CE 4.04Å
228F93.3Very high89Confident14 Ų1460.3 Ų60.36%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-129.2130.9-173.8-177-83.1000112.9Y46 L48 E49 H271 L272Y46-F228 AromaticContact CD1-CE2 3.73Å; Y46-F228 HydrophobicContact CD1-CE2 3.73Å; Y46-F228 HydrophobicContact CD1-CZ 4.39Å; Y46-F228 HydrophobicContact CD2-CD2 4.09Å; Y46-F228 AromaticContact CD2-CE2 3.79Å; Y46-F228 HydrophobicContact CD2-CE2 3.79Å; Y46-F228 HydrophobicContact CE1-CD2 4.43Å; Y46-F228 AromaticContact CE1-CE2 3.48Å; Y46-F228 HydrophobicContact CE1-CE2 3.48Å; Y46-F228 VanDerWaalsContact CE1-CE2 3.48Å; Y46-F228 HydrophobicContact CE1-CZ 4.04Å; Y46-F228 AromaticContact CE2-CD2 3.72Å; Y46-F228 HydrophobicContact CE2-CD2 3.72Å; Y46-F228 AromaticContact CE2-CE2 3.54Å; Y46-F228 HydrophobicContact CE2-CE2 3.54Å; Y46-F228 AromaticContact CG-CE2 3.86Å; Y46-F228 HydrophobicContact CG-CE2 3.86Å; Y46-F228 AromaticContact CZ-CD2 3.9Å; Y46-F228 AromaticContact CZ-CE2 3.37Å; L48-F228 VanDerWaalsContact C-CZ 3.5Å; L48-F228 HydrophobicContact CB-CD1 3.66Å; L48-F228 HydrophobicContact CB-CD2 4.35Å; L48-F228 HydrophobicContact CB-CE1 3.44Å; L48-F228 VanDerWaalsContact CB-CE1 3.44Å; L48-F228 HydrophobicContact CB-CE2 4.12Å; L48-F228 HydrophobicContact CB-CG 4.15Å; L48-F228 HydrophobicContact CB-CZ 3.72Å; L48-F228 HydrophobicContact CD1-CD1 4.02Å; L48-F228 HydrophobicContact CD1-CG 4.23Å; E49-F228 HydrophobicContact CB-CE2 4.32Å; E49-F228 HydrophobicContact CB-CZ 3.9Å; E49-F228 VanDerWaalsContact N-CZ 3.29Å; F228-H271 CarbonylContact O-C 3.51Å; F228-H271 VanDerWaalsContact O-CA 3.22Å; F228-H271 WeakPolarHBondContact O-CA 3.43Å; F228-L272 PolarHBondContact N-O 3.04Å; F228-L272 PolarHBondContact O-N 2.78Å
229P91.7Very high87.3Confident24 Ų2462.2 Ų62.216%0.15634%0.342CS..SBendcis-65.8169.1-7.330.4-36.1000110.6P231 H271P229-P231 WeakPolarHBondContact O-CD 3.35Å; P229-H271 PolarHBondContact O-ND1 2.88Å
230R91.3Very high85.9Confident100 Ų10066.8 Ų66.838%0.37736%0.358SS..PPolyproline II helixtrans-54.4129.3173.6176.7166.8-169.5153-0.3110.6Y46 S210 F212 E232Y46-R230 PolarHBondContact OH-N 3.23Å; S210-R230 PolarHBondContact O-NH1 2.85Å; F212-R230 HydrophobicContact CB-CB 4.3Å; F212-R230 HydrophobicContact CB-CG 4.08Å; F212-R230 HydrophobicContact CD2-CG 4.46Å; R230-E232 PolarHBondContact O-N 2.84Å
231P91.8Very high84.5Confident11 Ų1166 Ų667%0.07135%0.349CS..PPolyproline II helixtrans-60.9128.8170.1-23.935.2000111.2V227 P229 V247 L352V227-P231 HydrophobicContact CG1-CG 3.74Å; P229-P231 WeakPolarHBondContact O-CD 3.35Å; P231-V247 HydrophobicContact CB-CB 4.23Å; P231-V247 HydrophobicContact CB-CG2 3.67Å; P231-V247 HydrophobicContact CG-CB 4.46Å; P231-V247 HydrophobicContact CG-CG2 4.22Å; P231-L352 HydrophobicContact CB-CD1 4.18Å
232E87.6Confident83.1Confident78 Ų7865.5 Ų65.536%0.36435%0.35SS..PPolyproline II helixtrans-80.9143.9173.9-70.2-66165.600110.2K151 R230 V234K151-E232 IonicContact NZ-OE1 3.47Å; K151-E232 PolarHBondContact NZ-OE1 2.94Å; K151-E232 IonicContact NZ-OE2 2.63Å; K151-E232 PolarHBondContact NZ-OE2 2.83Å; R230-E232 PolarHBondContact O-N 2.84Å; E232-V234 PolarHBondContact O-N 2.88Å
233P88.3Confident82.3Confident72 Ų7267.3 Ų67.347%0.46835%0.354SS..PPolyproline II helixtrans-59135.8171.9-22.433.7000111.3P244 K245P233-P244 HydrophobicContact CB-CB 3.86Å; P233-K245 CarbonylContact C-O 3.42Å; P233-K245 WeakPolarHBondContact CA-O 3.37Å
234V86.3Confident81.8Confident20 Ų2070.6 Ų70.612%0.12138%0.375CS..BIsolated β-bridgetrans-101.1129.9179.8-178.90000109.2E232 K245 I268 W332 P355E232-V234 PolarHBondContact O-N 2.88Å; V234-K245 PolarHBondContact N-O 2.82Å; V234-K245 PolarHBondContact O-N 2.87Å; V234-I268 HydrophobicContact CG1-CD1 3.99Å; V234-I268 HydrophobicContact CG2-CD1 3.91Å; V234-I268 HydrophobicContact CG2-CG2 4.32Å; V234-W332 HydrophobicContact CB-CH2 4.32Å; V234-W332 HydrophobicContact CB-CZ2 4.38Å; V234-W332 HydrophobicContact CG2-CH2 3.89Å; V234-W332 HydrophobicContact CG2-CZ2 3.8Å; V234-P355 HydrophobicContact CB-CG 4.37Å; V234-P355 HydrophobicContact CG1-CG 3.95Å
235V82.1Confident81.5Confident69 Ų6971 Ų7142%0.41837%0.374SS..PPolyproline II helixtrans-101.9127174.6179.60000108.6P242 P244V235-P242 HydrophobicContact CG1-CB 3.36Å; V235-P242 HydrophobicContact CG1-CG 4.43Å; V235-P244 HydrophobicContact CG2-CB 4.23Å; V235-P244 HydrophobicContact CG2-CG 4.21Å
236V73.4Confident81.3Confident24 Ų2474.4 Ų74.415%0.14540%0.402CS..  trans-97.9112.9177.6-1760000108.4E238 E239 K245 P355V236-E238 HydrophobicContact CG1-CB 4.35Å; V236-E238 PolarHBondContact O-N 3.08Å; V236-E239 PolarHBondContact O-N 3.11Å; V236-K245 HydrophobicContact CG2-CD 4.36Å; V236-P355 HydrophobicContact CG2-CB 3.95Å; V236-P355 HydrophobicContact CG2-CG 4.03Å
237D65.2Low81.3Confident154 Ų15473.3 Ų73.382%0.82440%0.398SS*.THydrogen-bonded Turntrans-63.3-12.7-173.8-79.9-20.4000114.6E239D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 2.73Å
238E61.7Low81.3Confident185 Ų18575.2 Ų75.286%0.86441%0.411SS*.THydrogen-bonded Turntrans-81.1-6.7-176.4-60.1-168160.500114.1V236V236-E238 HydrophobicContact CG1-CB 4.35Å; V236-E238 PolarHBondContact O-N 3.08Å
239E61.8Low81.5Confident72 Ų7278.4 Ų78.434%0.33643%0.432SS..SBendtrans-92.1135.1-180-66.3179.7-173.200111.8V236 D237 E241 K245V236-E239 PolarHBondContact O-N 3.11Å; D237-E239 VanDerWaalsContact C-N 3.32Å; D237-E239 PolarHBondContact O-N 2.73Å; E239-E241 PolarHBondContact O-N 2.71Å; E239-K245 IonicContact OE1-NZ 2.7Å; E239-K245 PolarHBondContact OE1-NZ 2.74Å
240V65.4Low81.7Confident153 Ų15381.7 Ų81.793%0.92745%0.448SS*.SBendtrans-59.5-28.5179.5179.30000111.9
241E67.1Low82Confident157 Ų15776.9 Ų76.973%0.73443%0.43SS*.SBendtrans-126102.8166.4-71.7-176.2172.300107.7E239 I243E239-E241 PolarHBondContact O-N 2.71Å; E241-I243 PolarHBondContact O-N 2.94Å
242P67.5Low82.3Confident76 Ų7681.3 Ų81.349%0.49445%0.449SS..  trans-65.2108.8-17719-27.7000111V235V235-P242 HydrophobicContact CG1-CB 3.36Å; V235-P242 HydrophobicContact CG1-CG 4.43Å
243I77.4Confident82.8Confident110 Ų11078.1 Ų78.156%0.56444%0.435SS*.PPolyproline II helixtrans-92.9121.5174.3-58174.3000108.6E241 K245E241-I243 PolarHBondContact O-N 2.94Å; I243-K245 PolarHBondContact O-N 3.03Å
244P84.1Confident83.2Confident78 Ų7878.1 Ų78.151%0.50643%0.433SS..PPolyproline II helixtrans-62.7121.2175.9-19.530.9000111P233 V235P233-P244 HydrophobicContact CB-CB 3.86Å; V235-P244 HydrophobicContact CG2-CB 4.23Å; V235-P244 HydrophobicContact CG2-CG 4.21Å
245K88.8Confident83.8Confident58 Ų5878.2 Ų78.225%0.25244%0.439SS..BIsolated β-bridgetrans-87.3119174.8-64.1-175.7-178.3177.10109.2P233 V234 V236 E239 I243 W332 P355P233-K245 CarbonylContact C-O 3.42Å; P233-K245 WeakPolarHBondContact CA-O 3.37Å; V234-K245 PolarHBondContact N-O 2.82Å; V234-K245 PolarHBondContact O-N 2.87Å; V236-K245 HydrophobicContact CG2-CD 4.36Å; E239-K245 IonicContact OE1-NZ 2.7Å; E239-K245 PolarHBondContact OE1-NZ 2.74Å; I243-K245 PolarHBondContact O-N 3.03Å; K245-W332 HydrophobicContact CB-CE3 4.16Å; K245-W332 HydrophobicContact CB-CZ3 3.96Å; K245-W332 WeakPolarHBondContact O-CZ3 3.22Å; K245-P355 HydrophobicContact CD-CB 4.11Å
246A92.8Very high84.5Confident70 Ų7079.5 Ų79.558%0.57944%0.439SS*.PPolyproline II helixtrans-101147.3175.100000110.7
247V95Very high85.6Confident13 Ų1378.7 Ų78.78%0.07943%0.434CS..PPolyproline II helixtrans-66.8134.7176.11770000109.5F212 P231 L251 L328 W332 L352F212-V247 HydrophobicContact CZ-CB 4.4Å; F212-V247 HydrophobicContact CZ-CG1 4.41Å; P231-V247 HydrophobicContact CB-CB 4.23Å; P231-V247 HydrophobicContact CB-CG2 3.67Å; P231-V247 HydrophobicContact CG-CB 4.46Å; P231-V247 HydrophobicContact CG-CG2 4.22Å; V247-L251 HydrophobicContact CG1-CD2 3.83Å; V247-L328 HydrophobicContact CG1-CB 4.41Å; V247-L328 HydrophobicContact CG1-CD2 3.96Å; V247-W332 HydrophobicContact CG2-CH2 3.65Å; V247-W332 HydrophobicContact CG2-CZ2 4.3Å; V247-W332 HydrophobicContact CG2-CZ3 3.92Å; V247-L352 HydrophobicContact CG2-CD1 3.9Å; V247-L352 HydrophobicContact CG2-CD2 4.49Å
248S95.4Very high87.1Confident42 Ų4274.2 Ų74.229%0.29441%0.408SS..PPolyproline II helixtrans-57.4143.6174.2-1790000111.7D250 L251 L328S248-D250 VanDerWaalsContact C-N 3.28Å; S248-D250 WeakPolarHBondContact CB-O 3.4Å; S248-D250 PolarHBondContact OG-N 3.05Å; S248-D250 PolarHBondContact OG-O 2.85Å; S248-L251 WeakPolarHBondContact O-CD2 3.37Å; S248-L328 VanDerWaalsContact CB-O 3.24Å; S248-L328 WeakPolarHBondContact CB-O 3.24Å; S248-L328 PolarHBondContact N-O 3.33Å
249T96.1Very high88.7Confident80 Ų8069.4 Ų69.449%0.49139%0.387SS..SBendtrans-74.9-22.8169.450.60000112F212 A214 V215F212-T249 HydrophobicContact CZ-CG2 4.39Å; A214-T249 CarbonylContact C-O 3.44Å; A214-T249 WeakPolarHBondContact CA-O 3.27Å; A214-T249 WeakPolarHBondContact CB-O 3.19Å; V215-T249 PolarHBondContact N-O 3Å
250D96.9Very high90.3Very high93 Ų9369.7 Ų69.750%0.49740%0.402SS..EExtended strand (participates in β ladder)trans-98.8104.2173.6-59.9-34.6000108.1S248S248-D250 VanDerWaalsContact C-N 3.28Å; S248-D250 WeakPolarHBondContact CB-O 3.4Å; S248-D250 PolarHBondContact OG-N 3.05Å; S248-D250 PolarHBondContact OG-O 2.85Å
251L97.8Very high91.7Very high0 Ų063.1 Ų63.10%036%0.361CS..EExtended strand (participates in β ladder)trans-93.996.2-177.5-62.9177.8000109.1A214 V215 L216 H217 V225 V227 V247 S248 V326 L328 M350A214-L251 HydrophobicContact CB-CD1 3.85Å; A214-L251 HydrophobicContact CB-CG 4.05Å; V215-L251 PolarHBondContact O-N 3.3Å; L216-L251 HydrophobicContact CD1-CB 4.01Å; H217-L251 PolarHBondContact N-O 3.36Å; V225-L251 HydrophobicContact CG2-CD1 4.41Å; V227-L251 HydrophobicContact CG2-CD1 4.11Å; V247-L251 HydrophobicContact CG1-CD2 3.83Å; S248-L251 WeakPolarHBondContact O-CD2 3.37Å; L251-V326 HydrophobicContact CB-CG2 3.87Å; L251-V326 HydrophobicContact CD2-CG2 4.38Å; L251-L328 HydrophobicContact CD2-CD2 4.17Å; L251-M350 HydrophobicContact CD1-CE 4.39Å; L251-M350 HydrophobicContact CD1-SD 4.2Å; L251-M350 HydrophobicContact CD2-SD 4.41Å
252E98.1Very high93.1Very high103 Ų10355.8 Ų55.848%0.48133%0.327SS..EExtended strand (participates in β ladder)trans-91.5120.7-177-170.2168.6-171.100111.5V254 V326 Q327E252-V254 HydrophobicContact CG-CG1 4.49Å; E252-V254 PolarHBondContact O-N 3.18Å; E252-V326 CarbonylContact O-C 3.58Å; E252-V326 WeakPolarHBondContact O-CA 3.46Å; E252-Q327 PolarHBondContact O-N 3.26Å
253I98.4Very high94.3Very high11 Ų1155.6 Ų55.66%0.05633%0.328CS..EExtended strand (participates in β ladder)trans-76.2120.7170.5-65.3176.4000108.8L216 H217 C218 F256 F309 L313 A324 L325 L336L216-I253 HydrophobicContact CD1-CD1 4.05Å; L216-I253 HydrophobicContact CD1-CG1 4.06Å; H217-I253 WeakPolarHBondContact O-CB 3.17Å; H217-I253 WeakPolarHBondContact O-CG1 3.31Å; H217-I253 PolarHBondContact O-N 3.38Å; C218-I253 HydrophobicContact CB-CB 4.15Å; C218-I253 HydrophobicContact CB-CD1 4.15Å; I253-F256 HydrophobicContact CG2-CE1 4.41Å; I253-F256 HydrophobicContact CG2-CE2 4.25Å; I253-F256 HydrophobicContact CG2-CZ 3.97Å; I253-F309 HydrophobicContact CD1-CE1 4.38Å; I253-F309 HydrophobicContact CD1-CZ 4.23Å; I253-L313 HydrophobicContact CD1-CD1 4.21Å; I253-L313 HydrophobicContact CD1-CD2 3.59Å; I253-A324 HydrophobicContact CD1-CB 4.05Å; I253-A324 HydrophobicContact CG1-CB 4.34Å; I253-A324 HydrophobicContact CG2-CB 3.88Å; I253-L325 CarbonylContact C-O 3.45Å; I253-L325 VanDerWaalsContact CA-O 3.3Å; I253-L325 WeakPolarHBondContact CA-O 3.5Å; I253-L336 HydrophobicContact CD1-CD1 3.87Å; I253-L336 HydrophobicContact CG1-CD1 3.97Å
254V96.8Very high95.1Very high72 Ų7255.5 Ų55.544%0.43634%0.337SS..EExtended strand (participates in β ladder)trans-105.5-9.4-175.2-62.90000113.5E252 L325 Q327E252-V254 HydrophobicContact CG-CG1 4.49Å; E252-V254 PolarHBondContact O-N 3.18Å; V254-L325 HydrophobicContact CG2-CB 3.83Å; V254-L325 PolarHBondContact N-O 3.24Å; V254-Q327 HydrophobicContact CG1-CB 4.13Å
255G97.2Very high95.6Very high23 Ų2352.4 Ų52.424%0.23732%0.317CS..EExtended strand (participates in β ladder)trans172.5177.7178.200000113.3A324 L325G255-A324 CarbonylContact O-C 3.54Å; G255-A324 WeakPolarHBondContact O-CA 3.31Å; G255-L325 PolarHBondContact O-N 2.82Å
256F98Very high95.9Very high95 Ų9553.9 Ų53.942%0.41733%0.332SS..EExtended strand (participates in β ladder)trans-127.5143.1178-60.2-90.3000109.8I253 L313 L317 M322 V323 A324I253-F256 HydrophobicContact CG2-CE1 4.41Å; I253-F256 HydrophobicContact CG2-CE2 4.25Å; I253-F256 HydrophobicContact CG2-CZ 3.97Å; F256-L313 HydrophobicContact CE1-CD1 3.94Å; F256-L313 HydrophobicContact CZ-CD1 4.42Å; F256-L317 HydrophobicContact CD1-CD2 3.93Å; F256-L317 HydrophobicContact CE1-CD2 4.11Å; F256-M322 HydrophobicContact CB-SD 4.1Å; F256-V323 VanDerWaalsContact CA-O 3.3Å; F256-V323 WeakPolarHBondContact CA-O 3.45Å; F256-A324 HydrophobicContact CD1-CB 3.69Å; F256-A324 HydrophobicContact CE1-CB 3.54Å; F256-A324 HydrophobicContact CZ-CB 4.41Å
257I96.9Very high96Very high8 Ų852.4 Ų52.44%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-136.4143.3179.8-63.6-175.5000108.3D261 I262 M322 V323 L325 L363 L369I257-D261 HydrophobicContact CG2-CB 3.57Å; I257-I262 HydrophobicContact CG2-CB 4.25Å; I257-M322 CarbonylContact O-C 3.57Å; I257-M322 WeakPolarHBondContact O-CA 3.39Å; I257-V323 HydrophobicContact CB-CG2 4.17Å; I257-V323 PolarHBondContact N-O 3.48Å; I257-V323 WeakPolarHBondContact O-CG2 3.45Å; I257-V323 PolarHBondContact O-N 3.38Å; I257-L325 HydrophobicContact CD1-CD1 3.53Å; I257-L325 HydrophobicContact CD1-CD2 4.27Å; I257-L325 HydrophobicContact CD1-CG 3.95Å; I257-L325 HydrophobicContact CG1-CD1 4.18Å; I257-L325 HydrophobicContact CG1-CG 4.3Å; I257-L363 HydrophobicContact CD1-CD1 3.79Å; I257-L363 HydrophobicContact CD1-CD2 4.24Å; I257-L369 HydrophobicContact CD1-CD1 4.18Å
258E95.7Very high95.8Very high60 Ų6055 Ų5528%0.2833%0.329SS..EExtended strand (participates in β ladder)trans-62.2147.5173.8-65.7-166.3168.100112.5A260 D261 I262E258-A260 PolarHBondContact O-N 3.15Å; E258-D261 HydrophobicContact CB-CB 4.36Å; E258-D261 PolarHBondContact O-N 3.4Å; E258-D261 VanDerWaalsContact O-N 3.07Å; E258-I262 PolarHBondContact O-N 3.34Å
259I95.3Very high95.6Very high83 Ų8354.6 Ų54.643%0.42633%0.326SS..Hα-helixtrans-59.3-31.3173.7-72.4169.5000111.2I262 S263 G321 V323I259-I262 WeakPolarHBondContact O-CG2 3.44Å; I259-S263 PolarHBondContact O-N 2.88Å; I259-S263 VanDerWaalsContact O-N 3.07Å; I259-G321 VanDerWaalsContact CB-O 3.3Å; I259-G321 WeakPolarHBondContact CB-O 3.27Å; I259-G321 VanDerWaalsContact CD1-C 3.48Å; I259-G321 WeakPolarHBondContact CD1-O 3.25Å; I259-G321 WeakPolarHBondContact CG1-O 3.49Å; I259-G321 PolarHBondContact N-O 3.38Å; I259-V323 HydrophobicContact CG1-CG1 3.82Å
260A94.8Very high95.5Very high78 Ų7858 Ų5865%0.64533%0.33SS*.Hα-helixtrans-65.3-38.4176.600000112.5E258E258-A260 PolarHBondContact O-N 3.15Å
261D96.3Very high95.4Very high15 Ų1553.8 Ų53.88%0.0831%0.307CS..Hα-helixtrans-80.1-41.7-177.6-72.3-22.9000112.7I257 E258 S263 Y380 S387 F389I257-D261 HydrophobicContact CG2-CB 3.57Å; E258-D261 HydrophobicContact CB-CB 4.36Å; E258-D261 PolarHBondContact O-N 3.4Å; E258-D261 VanDerWaalsContact O-N 3.07Å; D261-S263 PolarHBondContact O-N 3.41Å; D261-Y380 WeakPolarHBondContact OD2-CE1 3.35Å; D261-Y380 PolarHBondContact OD2-OH 3.14Å; D261-S387 WeakPolarHBondContact OD1-CB 3.34Å; D261-S387 PolarHBondContact OD1-OG 3.17Å; D261-S387 PolarHBondContact OD2-OG 3.45Å; D261-S387 VanDerWaalsContact OD2-OG 3.05Å; D261-F389 HydrophobicContact CB-CB 4.01Å; D261-F389 HydrophobicContact CB-CD2 3.84Å; D261-F389 HydrophobicContact CB-CG 4.26Å; D261-F389 WeakPolarHBondContact OD2-CD2 3.23Å
262I95.4Very high95.2Very high3 Ų355.5 Ų55.52%0.01532%0.316CS..Hα-helixtrans-66-30.3174.3-159.572.2000110.8I257 E258 I259 P265 V323 L325 M335 F353 L360 W362 L363I257-I262 HydrophobicContact CG2-CB 4.25Å; E258-I262 PolarHBondContact O-N 3.34Å; I259-I262 WeakPolarHBondContact O-CG2 3.44Å; I262-P265 HydrophobicContact CG1-CG 4.1Å; I262-P265 WeakPolarHBondContact O-CD 3.45Å; I262-V323 HydrophobicContact CB-CG2 3.99Å; I262-V323 HydrophobicContact CD1-CG2 4.27Å; I262-V323 HydrophobicContact CG1-CG2 3.98Å; I262-V323 HydrophobicContact CG2-CG1 4.02Å; I262-V323 HydrophobicContact CG2-CG2 4.08Å; I262-L325 HydrophobicContact CD1-CD2 4.35Å; I262-M335 HydrophobicContact CD1-SD 4.45Å; I262-M335 HydrophobicContact CG1-SD 3.75Å; I262-F353 HydrophobicContact CD1-CZ 4.11Å; I262-L360 HydrophobicContact CD1-CD1 3.94Å; I262-W362 PolarHBondContact O-NE1 3Å; I262-L363 HydrophobicContact CD1-CD1 3.65Å
263S93.6Very high95.1Very high73 Ų7350.7 Ų50.751%0.5129%0.294SS..  trans61.4-127.4-178.4-167.30000112.7I259 D261I259-S263 PolarHBondContact O-N 2.88Å; I259-S263 VanDerWaalsContact O-N 3.07Å; D261-S263 PolarHBondContact O-N 3.41Å
264S93.8Very high94.8Very high108 Ų10852.2 Ų52.276%0.75530%0.302SS*.SBendtrans-124.476176.1-66.40000109.4
265P95.4Very high94.6Very high12 Ų1251.8 Ų51.88%0.07830%0.3CS..  trans-65.4145.9-174.327.9-35000111.3I262 V267 M335 F353 L360 W362I262-P265 HydrophobicContact CG1-CG 4.1Å; I262-P265 WeakPolarHBondContact O-CD 3.45Å; P265-V267 HydrophobicContact CG-CG1 4.35Å; P265-M335 HydrophobicContact CG-CE 3.55Å; P265-M335 HydrophobicContact CG-SD 3.84Å; P265-F353 HydrophobicContact CB-CD1 4.31Å; P265-F353 HydrophobicContact CB-CE1 3.76Å; P265-F353 HydrophobicContact CG-CE1 3.66Å; P265-F353 HydrophobicContact CG-CZ 4.34Å; P265-L360 HydrophobicContact CB-CD1 3.79Å; P265-L360 HydrophobicContact CB-CD2 3.4Å; P265-L360 VanDerWaalsContact CB-CD2 3.4Å; P265-L360 HydrophobicContact CB-CG 4.27Å; P265-W362 HydrophobicContact CB-CZ2 4.21Å
266P94.3Very high94.1Very high90 Ų9052.9 Ų52.958%0.58430%0.301SS*.  trans-63.8136.4164.529.8-33.8000108.9L360P266-L360 HydrophobicContact CG-CD2 4.43Å
267V94.3Very high93Very high39 Ų3951.3 Ų51.324%0.23631%0.305CS..  trans-135145.1-176.8-61.90000108.9P265 R270 M335 L352 F353P265-V267 HydrophobicContact CG-CG1 4.35Å; V267-R270 HydrophobicContact CG2-CG 4.12Å; V267-M335 HydrophobicContact CG1-CE 4.3Å; V267-L352 CarbonylContact C-O 3.01Å; V267-L352 VanDerWaalsContact CA-O 3.27Å; V267-L352 WeakPolarHBondContact CA-O 3.48Å; V267-L352 WeakPolarHBondContact CB-O 3.26Å; V267-F353 HydrophobicContact CG1-CD1 3.97Å; V267-F353 HydrophobicContact CG1-CE1 4.03Å
268I92.1Very high91.1Very high68 Ų6854.3 Ų54.335%0.34932%0.324SS..SBendtrans-68.6-50177.9-64.4179.6000109.6V234 L352 F353 E354V234-I268 HydrophobicContact CG1-CD1 3.99Å; V234-I268 HydrophobicContact CG2-CD1 3.91Å; V234-I268 HydrophobicContact CG2-CG2 4.32Å; I268-L352 PolarHBondContact N-O 3.31Å; I268-F353 WeakPolarHBondContact CD1-O 3.48Å; I268-E354 WeakPolarHBondContact CG1-OE2 3.48Å
269S91.5Very high88.9Confident33 Ų3355.8 Ų55.823%0.23133%0.334CS..EExtended strand (participates in β ladder)trans-155.4162.7-173.6560000111.2H271 S351 L352S269-H271 WeakPolarHBondContact CB-NE2 3.39Å; S269-H271 PolarHBondContact OG-NE2 2.95Å; S269-S351 WeakPolarHBondContact O-CA 3.34Å; S269-L352 PolarHBondContact O-N 2.88Å; S269-L352 VanDerWaalsContact O-N 3.11Å; S269-L352 WeakPolarHBondContact OG-CD1 3.45Å
270R92.9Very high86.6Confident151 Ų15160.1 Ų60.157%0.5735%0.349SS*.EExtended strand (participates in β ladder)trans-126.8138.1-178.7-57.1-172.6174.9155.40.6110V267 M349 M350V267-R270 HydrophobicContact CG2-CG 4.12Å; R270-M349 HydrophobicContact CB-CE 3.72Å; R270-M350 CarbonylContact C-O 3.51Å; R270-M350 WeakPolarHBondContact CA-O 3.41Å
271H94.7Very high84Confident4 Ų464.8 Ų64.82%0.01936%0.358CS..EExtended strand (participates in β ladder)trans-137.2138.5-173.2-50.6-89000110.1V227 F228 P229 S269 M349 M350V227-H271 HydrophobicContact CG1-CB 3.39Å; F228-H271 CarbonylContact O-C 3.51Å; F228-H271 VanDerWaalsContact O-CA 3.22Å; F228-H271 WeakPolarHBondContact O-CA 3.43Å; P229-H271 PolarHBondContact O-ND1 2.88Å; S269-H271 WeakPolarHBondContact CB-NE2 3.39Å; S269-H271 PolarHBondContact OG-NE2 2.95Å; H271-M349 CarbonylContact O-C 3.53Å; H271-M349 VanDerWaalsContact O-CA 3.23Å; H271-M349 WeakPolarHBondContact O-CA 3.48Å; H271-M350 PolarHBondContact N-O 3.2Å; H271-M350 PolarHBondContact O-N 2.94Å
272L94.8Very high81.4Confident36 Ų3669 Ų6919%0.18838%0.384CS..EExtended strand (participates in β ladder)trans-73.1141164.2-72.8164.7000109.3L48 V227 F228 L274 N347 M349L48-L272 HydrophobicContact CD1-CD1 3.7Å; V227-L272 WeakPolarHBondContact CA-O 3.36Å; F228-L272 PolarHBondContact N-O 3.04Å; F228-L272 PolarHBondContact O-N 2.78Å; L272-L274 HydrophobicContact CB-CD2 4.39Å; L272-L274 HydrophobicContact CB-CG 4.36Å; L272-N347 HydrophobicContact CD2-CB 3.65Å; L272-M349 HydrophobicContact CD2-CG 3.77Å; L272-M349 HydrophobicContact CD2-SD 4.37Å
273V96.1Very high78.6Confident3 Ų376.5 Ų76.52%0.01842%0.424CS..EExtended strand (participates in β ladder)trans-115.1112.9173.9-178.30000107.9V225 Q226 L336 L348 M350V225-V273 HydrophobicContact CB-CG1 3.79Å; V225-V273 HydrophobicContact CG1-CG1 3.81Å; V225-V273 HydrophobicContact CG2-CG1 4.03Å; Q226-V273 WeakPolarHBondContact O-CA 3.36Å; V273-L336 HydrophobicContact CB-CD2 4.43Å; V273-L336 HydrophobicContact CG2-CD2 3.74Å; V273-L348 HydrophobicContact CB-CB 4.44Å; V273-L348 HydrophobicContact CB-CD2 4.07Å; V273-L348 HydrophobicContact CB-CG 4.15Å; V273-L348 HydrophobicContact CG1-CD2 4.05Å; V273-L348 PolarHBondContact N-O 3.37Å; V273-M350 HydrophobicContact CG2-CB 3.65Å
274L92.1Very high75.7Confident42 Ų4281.9 Ų81.922%0.2244%0.441CS..EExtended strand (participates in β ladder)trans-118.7134-171-55.1171000109.5L48 V225 Q226 L272L48-L274 HydrophobicContact CD1-CD1 3.49Å; L48-L274 VanDerWaalsContact CD1-CD1 3.49Å; V225-L274 CarbonylContact C-O 3.45Å; V225-L274 WeakPolarHBondContact CA-O 3.18Å; Q226-L274 HydrophobicContact CB-CB 4.5Å; Q226-L274 PolarHBondContact N-O 3.39Å; Q226-L274 PolarHBondContact O-N 3.48Å; L272-L274 HydrophobicContact CB-CD2 4.39Å; L272-L274 HydrophobicContact CB-CG 4.36Å
275P91.2Very high72.8Confident63 Ų6382.6 Ų82.641%0.40944%0.441SS..EExtended strand (participates in β ladder)trans-66.5138175.628.4-33.4000111N308 C310P275-N308 WeakPolarHBondContact CB-ND2 3.47Å; P275-N308 WeakPolarHBondContact CB-OD1 3.2Å; P275-C310 HydrophobicContact CB-CB 4.32Å
276I87.5Confident69.7Low47 Ų4784.9 Ų84.924%0.24147%0.466CS..  trans-99.5131.9172.3-54.6171.2000108H213 D224 V225 Q226 V278H213-I276 HydrophobicContact CB-CD1 4.18Å; H213-I276 WeakPolarHBondContact CD2-CD1 3.36Å; D224-I276 HydrophobicContact CB-CB 4.42Å; D224-I276 PolarHBondContact O-N 2.84Å; V225-I276 WeakPolarHBondContact O-CD1 3.34Å; Q226-I276 HydrophobicContact CB-CD1 3.94Å; Q226-I276 HydrophobicContact CB-CG1 3.93Å; I276-V278 HydrophobicContact CB-CG2 4.29Å; I276-V278 HydrophobicContact CG2-CG2 4.04Å; I276-V278 PolarHBondContact O-N 3Å; I276-V278 VanDerWaalsContact O-N 3.12Å
277A73.6Confident67Low62 Ų6287.8 Ų87.851%0.51248%0.482SS..  trans-76.693.8168.500000108.6N279 A303A277-N279 PolarHBondContact O-N 3.1Å; A277-A303 HydrophobicContact CB-CB 3.42Å; A277-A303 VanDerWaalsContact CB-CB 3.42Å
278V58.1Low63.8Low71 Ų7189.7 Ų89.743%0.4351%0.51SS..  trans-86102175.1-171.40000108.3D224 I276 K280D224-V278 HydrophobicContact CB-CG2 3.46Å; D224-V278 VanDerWaalsContact CB-CG2 3.46Å; D224-V278 VanDerWaalsContact OD2-CG2 3.27Å; D224-V278 WeakPolarHBondContact OD2-CG2 3.24Å; I276-V278 HydrophobicContact CB-CG2 4.29Å; I276-V278 HydrophobicContact CG2-CG2 4.04Å; I276-V278 PolarHBondContact O-N 3Å; I276-V278 VanDerWaalsContact O-N 3.12Å; V278-K280 HydrophobicContact CG1-CG 4.01Å; V278-K280 PolarHBondContact O-N 3.33Å
279N49.7Very low61.1Low91 Ų9191.2 Ų91.249%0.48753%0.532SS..  trans-73.193.3166.9-85.9-2.3000108.3A277 E281 V282A277-N279 PolarHBondContact O-N 3.1Å; N279-E281 PolarHBondContact O-N 3.39Å; N279-E281 VanDerWaalsContact O-N 3.09Å; N279-V282 HydrophobicContact CB-CG2 4.14Å
280K47.4Very low58.1Low173 Ų17396.4 Ų96.475%0.75256%0.563SS**THydrogen-bonded Turntrans-67-2177.7-76.5-175.4175176.60114.7V278V278-K280 HydrophobicContact CG1-CG 4.01Å; V278-K280 PolarHBondContact O-N 3.33Å
281E38.6Very low55.5Low177 Ų17796.7 Ų96.783%0.82758%0.576SS**THydrogen-bonded Turntrans-103.1-6.4-175.6-65.4-171.416600114.9N279N279-E281 PolarHBondContact O-N 3.39Å; N279-E281 VanDerWaalsContact O-N 3.09Å
282V41.9Very low52.5Low104 Ų104105.7 Ų105.763%0.6362%0.618SS**SBendtrans-94.8-17.2-174.6-1750000113.5N279N279-V282 HydrophobicContact CB-CG2 4.14Å
283D36.4Very low50Low159 Ų159112.3 Ų112.385%0.8565%0.653SS**SBendtrans-89-3.8-177.6-77.5-26.4000114.8
284E33.4Very low47.2Very low187 Ų187120.3 Ų120.387%0.87469%0.69SS**SBendtrans-114.80.9-177.8-95.1-164.2167.700117.1
285V32Very low44.7Very low123 Ų123127.8 Ų127.875%0.74572%0.724SS**  trans-126.891.5177.4-164.70000112
286G31.8Very low42.1Very low59 Ų59132.1 Ų132.161%0.60874%0.739SS**  trans-60.2136.5161.400000111.9
287T36.8Very low39.9Very low151 Ų151132.3 Ų132.393%0.92674%0.743SS**  trans45.894.4149.256.10000117.5
288G27.3Very low38.9Very low80 Ų80132.2 Ų132.283%0.82574%0.738SS**  trans-165.597.8160.500000111.1
289A34.3Very low38.9Very low99 Ų99131.5 Ų131.582%0.81874%0.74SS**  trans-71.2144.3177.500000112.3
290T29.8Very low39.3Very low143 Ų143131.4 Ų131.488%0.87775%0.746SS**  -168.2134.8121.327.80000110.3
291D38.1Very low39.8Very low156 Ų156128.6 Ų128.683%0.83474%0.736SS**  trans-48.2129.1174.1-74.1-48.9000114
292E31.2Very low40.8Very low193 Ų193125.1 Ų125.190%0.90272%0.721SS**  trans-144.3127.7132.5-70.3-162.7157.100109.3E294E292-E294 PolarHBondContact O-N 3.38Å
293L43.5Very low41.9Very low175 Ų175121.6 Ų121.692%0.91670%0.703SS**  trans-77.895.3178.8-78.7143.1000110
294E36.5Very low43.6Very low171 Ų171117.2 Ų117.280%0.79970%0.695SS**  trans-116.9138.8152.4-68.3-164.8161.700108.3E292 E296E292-E294 PolarHBondContact O-N 3.38Å; E294-E296 PolarHBondContact O-N 2.75Å
295E39.2Very low45.6Very low200 Ų200116.3 Ų116.394%0.93569%0.688SS**  trans-64.282.6175.7-73-178.4160.500109.5
296E37.8Very low47.9Very low154 Ų154113.7 Ų113.772%0.7268%0.675SS**PPolyproline II helixtrans-53121.4169-84-80141.300108.5E294 S298E294-E296 PolarHBondContact O-N 2.75Å; E296-S298 PolarHBondContact O-N 3.2Å
297P41.3Very low50.6Low51 Ų51117.3 Ų117.333%0.33169%0.689SS.*PPolyproline II helixtrans-58.7131.7175.424-30.8000108.4A299 Q301 M302P297-A299 PolarHBondContact O-N 3.1Å; P297-Q301 HydrophobicContact CB-CB 4.28Å; P297-M302 HydrophobicContact CB-CG 4.36Å; P297-M302 HydrophobicContact CG-CG 3.81Å; P297-M302 HydrophobicContact CG-SD 4.11Å
298S51.8Low53.1Low59 Ų59112.1 Ų112.141%0.41366%0.655SS.*PPolyproline II helixtrans-49.6144-177.263.20000111.2E296 S300 Q301 M302E296-S298 PolarHBondContact O-N 3.2Å; S298-S300 PolarHBondContact O-N 2.85Å; S298-S300 PolarHBondContact OG-OG 3.11Å; S298-S300 VanDerWaalsContact OG-OG 3.14Å; S298-Q301 WeakPolarHBondContact O-CA 3.39Å; S298-Q301 WeakPolarHBondContact O-CB 3.22Å; S298-Q301 PolarHBondContact O-N 3.1Å; S298-Q301 WeakPolarHBondContact OG-CG 3.38Å; S298-M302 PolarHBondContact O-N 3.31Å
299A57.8Low56.3Low56 Ų56109.2 Ų109.246%0.46362%0.62SS.*Hα-helixtrans-49.8-29.2-176.400000113.8P297 A303P297-A299 PolarHBondContact O-N 3.1Å; A299-A303 WeakPolarHBondContact O-CB 3.33Å; A299-A303 PolarHBondContact O-N 3.28Å; A299-A303 VanDerWaalsContact O-N 3.11Å
300S58.8Low59.1Low90 Ų90104.8 Ų104.863%0.62958%0.582SS**Hα-helixtrans-69.6-32.4173.854.90000114.6S298 G304S298-S300 PolarHBondContact O-N 2.85Å; S298-S300 PolarHBondContact OG-OG 3.11Å; S298-S300 VanDerWaalsContact OG-OG 3.14Å; S300-G304 PolarHBondContact O-N 2.88Å; S300-G304 VanDerWaalsContact O-N 3.15Å
301Q58.2Low62.1Low114 Ų114102.5 Ų102.553%0.53357%0.568SS.*Hα-helixtrans-75.3-32.3175.2-69.8-177.812.700112.7P297 S298 K305P297-Q301 HydrophobicContact CB-CB 4.28Å; S298-Q301 WeakPolarHBondContact O-CA 3.39Å; S298-Q301 WeakPolarHBondContact O-CB 3.22Å; S298-Q301 PolarHBondContact O-N 3.1Å; S298-Q301 WeakPolarHBondContact OG-CG 3.38Å; Q301-K305 WeakPolarHBondContact O-CG 3.44Å
302M58.4Low64.8Low103 Ų10399.8 Ų99.851%0.50755%0.553SS.*Hα-helixtrans-71.4-47.1174-72.9-174.760.800111.5P297 S298 G304 K305P297-M302 HydrophobicContact CB-CG 4.36Å; P297-M302 HydrophobicContact CG-CG 3.81Å; P297-M302 HydrophobicContact CG-SD 4.11Å; S298-M302 PolarHBondContact O-N 3.31Å; M302-G304 VanDerWaalsContact C-N 3.25Å; M302-G304 PolarHBondContact O-N 3.33Å; M302-K305 PolarHBondContact O-N 3.45Å; M302-K305 VanDerWaalsContact O-N 3.1Å
303A66.3Low67.9Low31 Ų3191 Ų9126%0.25651%0.512SS..Hα-helixtrans-62.7-30.7176.600000113.3A277 A299 K305 S306A277-A303 HydrophobicContact CB-CB 3.42Å; A277-A303 VanDerWaalsContact CB-CB 3.42Å; A299-A303 WeakPolarHBondContact O-CB 3.33Å; A299-A303 PolarHBondContact O-N 3.28Å; A299-A303 VanDerWaalsContact O-N 3.11Å; A303-K305 PolarHBondContact O-N 2.83Å; A303-S306 PolarHBondContact O-N 3.01Å; A303-S306 PolarHBondContact O-OG 2.86Å
304G71.6Confident70.4Confident67 Ų6784.3 Ų84.369%0.69148%0.476SS*.THydrogen-bonded Turntrans-69.6-13.817600000114.9S300 M302S300-G304 PolarHBondContact O-N 2.88Å; S300-G304 VanDerWaalsContact O-N 3.15Å; M302-G304 VanDerWaalsContact C-N 3.25Å; M302-G304 PolarHBondContact O-N 3.33Å
305K76.2Confident73.1Confident167 Ų16777.6 Ų77.673%0.72645%0.453SS*.THydrogen-bonded Turntrans-98.2-20.6178.9-68175.4-176.2174.30113.1Q301 M302 A303Q301-K305 WeakPolarHBondContact O-CG 3.44Å; M302-K305 PolarHBondContact O-N 3.45Å; M302-K305 VanDerWaalsContact O-N 3.1Å; A303-K305 PolarHBondContact O-N 2.83Å
306S79.9Confident75.9Confident68 Ų6870.8 Ų70.848%0.47643%0.427SS..SBendtrans-76.1134175.652.40000111.1A303 N308A303-S306 PolarHBondContact O-N 3.01Å; A303-S306 PolarHBondContact O-OG 2.86Å; S306-N308 PolarHBondContact O-N 3.01Å
307P87.5Confident78.7Confident136 Ų13663.7 Ų63.788%0.88339%0.394SS*.  trans-56.8132.8172-2333.1000110.9
308N90.5Very high81.2Confident41 Ų4166.7 Ų66.722%0.21940%0.402CS..  trans-124.5131.9-179.5-177.2-80.5000111S223 P275 S306 C310 V311 L312S223-N308 PolarHBondContact OG-ND2 3.15Å; P275-N308 WeakPolarHBondContact CB-ND2 3.47Å; P275-N308 WeakPolarHBondContact CB-OD1 3.2Å; S306-N308 PolarHBondContact O-N 3.01Å; N308-C310 VanDerWaalsContact C-N 3.32Å; N308-C310 PolarHBondContact O-N 3.14Å; N308-C310 WeakPolarHBondContact OD1-CA 3.35Å; N308-C310 WeakPolarHBondContact OD1-CB 3.42Å; N308-C310 PolarHBondContact OD1-N 2.88Å; N308-V311 HydrophobicContact CB-CG2 4.13Å; N308-V311 PolarHBondContact O-N 3.05Å; N308-L312 PolarHBondContact O-N 3.35Å
309F93.9Very high83.3Confident20 Ų2069.5 Ų69.59%0.08842%0.416CS..Hα-helixtrans-61.7-36.5-177.2173.8-125000112.9L216 C218 L221 I253 V311 L312 L313L216-F309 HydrophobicContact CD2-CD1 4.32Å; L216-F309 HydrophobicContact CD2-CE1 4.06Å; L216-F309 HydrophobicContact CG-CD1 4.37Å; L216-F309 HydrophobicContact CG-CE1 3.99Å; C218-F309 HydrophobicContact CB-CE1 3.89Å; C218-F309 HydrophobicContact CB-CE2 4.19Å; C218-F309 HydrophobicContact CB-CZ 3.36Å; L221-F309 HydrophobicContact CB-CD1 4.41Å; L221-F309 HydrophobicContact CB-CD2 3.8Å; L221-F309 HydrophobicContact CB-CE1 4.47Å; L221-F309 HydrophobicContact CB-CE2 3.89Å; L221-F309 HydrophobicContact CB-CG 4.09Å; L221-F309 HydrophobicContact CB-CZ 4.25Å; L221-F309 HydrophobicContact CD1-CD2 3.91Å; L221-F309 HydrophobicContact CD1-CE2 3.69Å; L221-F309 HydrophobicContact CG-CD2 4.41Å; L221-F309 HydrophobicContact CG-CE2 4.45Å; I253-F309 HydrophobicContact CD1-CE1 4.38Å; I253-F309 HydrophobicContact CD1-CZ 4.23Å; F309-V311 VanDerWaalsContact C-N 3.28Å; F309-V311 PolarHBondContact O-N 2.74Å; F309-L312 PolarHBondContact O-N 2.92Å; F309-L313 HydrophobicContact CD2-CB 4.48Å; F309-L313 HydrophobicContact CE1-CD2 4.22Å; F309-L313 HydrophobicContact CE2-CB 4.04Å; F309-L313 HydrophobicContact CZ-CB 4.13Å; F309-L313 HydrophobicContact CZ-CD1 4.33Å; F309-L313 HydrophobicContact CZ-CD2 4.05Å; F309-L313 HydrophobicContact CZ-CG 4.4Å; F309-L313 VanDerWaalsContact O-CB 3.31Å; F309-L313 WeakPolarHBondContact O-CB 3.46Å; F309-L313 PolarHBondContact O-N 3.44Å
310C93.1Very high85Confident5 Ų572.8 Ų72.83%0.03442%0.422CS..Hα-helixtrans-62.5-35.8177.4-62.70000112.5V225 P275 N308 H314 L348V225-C310 WeakPolarHBondContact CG1-SG 3.28Å; P275-C310 HydrophobicContact CB-CB 4.32Å; N308-C310 VanDerWaalsContact C-N 3.32Å; N308-C310 PolarHBondContact O-N 3.14Å; N308-C310 WeakPolarHBondContact OD1-CA 3.35Å; N308-C310 WeakPolarHBondContact OD1-CB 3.42Å; N308-C310 PolarHBondContact OD1-N 2.88Å; C310-H314 WeakPolarHBondContact O-CB 3.46Å; C310-H314 PolarHBondContact O-N 2.77Å; C310-L348 HydrophobicContact CB-CD2 4.3Å
311V92.4Very high86.7Confident95 Ų9569.9 Ų69.958%0.57641%0.407SS*.Hα-helixtrans-67.7-45177.4179.10000110.4N308 F309 G315N308-V311 HydrophobicContact CB-CG2 4.13Å; N308-V311 PolarHBondContact O-N 3.05Å; F309-V311 VanDerWaalsContact C-N 3.28Å; F309-V311 PolarHBondContact O-N 2.74Å; V311-G315 PolarHBondContact O-N 3.08Å; V311-G315 VanDerWaalsContact O-N 3.07Å
312L94.9Very high88.6Confident100 Ų10067.1 Ų67.152%0.52440%0.395SS..Hα-helixtrans-60.2-54.4175.417662.5000110.8N308 F309 H314 G315 S316N308-L312 PolarHBondContact O-N 3.35Å; F309-L312 PolarHBondContact O-N 2.92Å; L312-H314 PolarHBondContact O-N 3.13Å; L312-G315 PolarHBondContact O-N 2.91Å; L312-S316 PolarHBondContact O-N 3.16Å; L312-S316 PolarHBondContact O-OG 2.79Å
313L96.8Very high90.4Very high8 Ų862.4 Ų62.44%0.04237%0.372CS..Hα-helixtrans-57.5-50.4-178.317964.8000111.6L216 I253 F256 F309 G315 S316 L317 L336 L348L216-L313 HydrophobicContact CD2-CD2 3.77Å; I253-L313 HydrophobicContact CD1-CD1 4.21Å; I253-L313 HydrophobicContact CD1-CD2 3.59Å; F256-L313 HydrophobicContact CE1-CD1 3.94Å; F256-L313 HydrophobicContact CZ-CD1 4.42Å; F309-L313 HydrophobicContact CD2-CB 4.48Å; F309-L313 HydrophobicContact CE1-CD2 4.22Å; F309-L313 HydrophobicContact CE2-CB 4.04Å; F309-L313 HydrophobicContact CZ-CB 4.13Å; F309-L313 HydrophobicContact CZ-CD1 4.33Å; F309-L313 HydrophobicContact CZ-CD2 4.05Å; F309-L313 HydrophobicContact CZ-CG 4.4Å; F309-L313 VanDerWaalsContact O-CB 3.31Å; F309-L313 WeakPolarHBondContact O-CB 3.46Å; F309-L313 PolarHBondContact O-N 3.44Å; L313-G315 VanDerWaalsContact C-N 3.33Å; L313-G315 PolarHBondContact O-N 2.91Å; L313-S316 PolarHBondContact O-N 2.99Å; L313-L317 HydrophobicContact CD1-CD1 3.93Å; L313-L317 HydrophobicContact CD1-CD2 4.4Å; L313-L317 HydrophobicContact CD1-CG 3.97Å; L313-L317 HydrophobicContact CG-CD1 3.87Å; L313-L317 HydrophobicContact CG-CG 4.28Å; L313-L317 WeakPolarHBondContact O-CB 3.42Å; L313-L317 VanDerWaalsContact O-CG 3.26Å; L313-L317 WeakPolarHBondContact O-CG 3.43Å; L313-L317 PolarHBondContact O-N 2.73Å; L313-L336 HydrophobicContact CD2-CD1 4.32Å; L313-L348 HydrophobicContact CD2-CD1 4.49Å; L313-L348 HydrophobicContact CD2-CD2 4.14Å
314H95.6Very high92Very high34 Ų3461 Ų6116%0.15736%0.359CS..Hα-helixtrans-58.6-44.2177.6163.8-107.7000112.3C310 L312 K318 S346 N347 L348C310-H314 WeakPolarHBondContact O-CB 3.46Å; C310-H314 PolarHBondContact O-N 2.77Å; L312-H314 PolarHBondContact O-N 3.13Å; H314-K318 WeakPolarHBondContact O-CB 3.36Å; H314-K318 PolarHBondContact O-N 2.85Å; H314-K318 VanDerWaalsContact O-N 3.11Å; H314-S346 PolarHBondContact CE1-O 3.45Å; H314-S346 PolarHBondContact CE1-OG 2.81Å; H314-S346 WeakPolarHBondContact NE2-CB 3.3Å; H314-S346 PolarHBondContact NE2-O 2.83Å; H314-S346 PolarHBondContact NE2-OG 2.99Å; H314-N347 VanDerWaalsContact CD2-C 3.49Å; H314-L348 HydrophobicContact CB-CB 4.16Å; H314-L348 HydrophobicContact CB-CD1 4.31Å
315G94.2Very high93.2Very high30 Ų3058 Ų5831%0.30933%0.328SS..Hα-helixtrans-59.6-49.1177.700000111.7V311 L312 L313 K318 V319V311-G315 PolarHBondContact O-N 3.08Å; V311-G315 VanDerWaalsContact O-N 3.07Å; L312-G315 PolarHBondContact O-N 2.91Å; L313-G315 VanDerWaalsContact C-N 3.33Å; L313-G315 PolarHBondContact O-N 2.91Å; G315-K318 PolarHBondContact O-N 2.87Å; G315-V319 WeakPolarHBondContact O-CG2 3.29Å; G315-V319 PolarHBondContact O-N 2.99Å
316S96.6Very high94.2Very high57 Ų5750 Ų5040%0.39929%0.293SS..Hα-helixtrans-63.1-49.8178.6-63.60000112.3L312 L313 K318 V319 E320L312-S316 PolarHBondContact O-N 3.16Å; L312-S316 PolarHBondContact O-OG 2.79Å; L313-S316 PolarHBondContact O-N 2.99Å; S316-K318 PolarHBondContact O-N 3.37Å; S316-V319 PolarHBondContact O-N 3.05Å; S316-E320 WeakPolarHBondContact O-CB 3.11Å; S316-E320 WeakPolarHBondContact O-CG 3.23Å; S316-E320 PolarHBondContact O-N 3.47Å
317L96.9Very high95.1Very high5 Ų550 Ų503%0.02629%0.285CS..Hα-helixtrans-58-37.5179.4-69.4176.9000112.4F256 L313 G321 M322 A324 L336 L348F256-L317 HydrophobicContact CD1-CD2 3.93Å; F256-L317 HydrophobicContact CE1-CD2 4.11Å; L313-L317 HydrophobicContact CD1-CD1 3.93Å; L313-L317 HydrophobicContact CD1-CD2 4.4Å; L313-L317 HydrophobicContact CD1-CG 3.97Å; L313-L317 HydrophobicContact CG-CD1 3.87Å; L313-L317 HydrophobicContact CG-CG 4.28Å; L313-L317 WeakPolarHBondContact O-CB 3.42Å; L313-L317 VanDerWaalsContact O-CG 3.26Å; L313-L317 WeakPolarHBondContact O-CG 3.43Å; L313-L317 PolarHBondContact O-N 2.73Å; L317-G321 PolarHBondContact O-N 3.11Å; L317-G321 VanDerWaalsContact O-N 3.11Å; L317-M322 HydrophobicContact CD2-CB 4.17Å; L317-M322 WeakPolarHBondContact CD2-O 3.3Å; L317-M322 PolarHBondContact O-N 3.23Å; L317-M322 VanDerWaalsContact O-N 3.08Å; L317-A324 HydrophobicContact CD1-CB 4.42Å; L317-A324 HydrophobicContact CD2-CB 4.22Å; L317-L336 HydrophobicContact CD1-CB 4.44Å; L317-L348 HydrophobicContact CD1-CD1 3.92Å
318K94.3Very high95.5Very high115 Ų11543.5 Ų43.550%0.524%0.243SC..Hα-helixtrans-69.9-44.8177.8-173.9177.5-179.5176.10112.9H314 G315 S316 S346H314-K318 WeakPolarHBondContact O-CB 3.36Å; H314-K318 PolarHBondContact O-N 2.85Å; H314-K318 VanDerWaalsContact O-N 3.11Å; G315-K318 PolarHBondContact O-N 2.87Å; S316-K318 PolarHBondContact O-N 3.37Å; K318-S346 PolarHBondContact NZ-OG 3Å
319V94.7Very high95.6Very high117 Ų11742.1 Ų42.171%0.70924%0.239SC*.Hα-helixtrans-70.2-44.7-176.7169.40000110.5G315 S316 G321G315-V319 WeakPolarHBondContact O-CG2 3.29Å; G315-V319 PolarHBondContact O-N 2.99Å; S316-V319 PolarHBondContact O-N 3.05Å; V319-G321 VanDerWaalsContact C-N 3.3Å; V319-G321 PolarHBondContact O-N 2.83Å
320E94.8Very high95.4Very high125 Ų12546.7 Ų46.758%0.58427%0.27SS*.Hα-helixtrans-81.4-9.6-177.6-58.5-58.1152.300113.1S316 M322S316-E320 WeakPolarHBondContact O-CB 3.11Å; S316-E320 WeakPolarHBondContact O-CG 3.23Å; S316-E320 PolarHBondContact O-N 3.47Å; E320-M322 VanDerWaalsContact C-N 3.32Å; E320-M322 HydrophobicContact CB-CB 4.47Å; E320-M322 HydrophobicContact CB-CE 3.37Å; E320-M322 HydrophobicContact CB-CG 4.09Å; E320-M322 HydrophobicContact CG-CE 3.75Å; E320-M322 PolarHBondContact O-N 3.02Å
321G94.6Very high95.3Very high29 Ų2952.1 Ų52.130%0.29930%0.295SS..THydrogen-bonded Turntrans63.140-177.700000112.7I259 L317 V319I259-G321 VanDerWaalsContact CB-O 3.3Å; I259-G321 WeakPolarHBondContact CB-O 3.27Å; I259-G321 VanDerWaalsContact CD1-C 3.48Å; I259-G321 WeakPolarHBondContact CD1-O 3.25Å; I259-G321 WeakPolarHBondContact CG1-O 3.49Å; I259-G321 PolarHBondContact N-O 3.38Å; L317-G321 PolarHBondContact O-N 3.11Å; L317-G321 VanDerWaalsContact O-N 3.11Å; V319-G321 VanDerWaalsContact C-N 3.3Å; V319-G321 PolarHBondContact O-N 2.83Å
322M96.7Very high95.4Very high57 Ų5747.7 Ų47.728%0.28127%0.268SS..EExtended strand (participates in β ladder)trans-116.7164.8-177.4-72.2-163.9-95.100112.2F256 I257 L317 E320F256-M322 HydrophobicContact CB-SD 4.1Å; I257-M322 CarbonylContact O-C 3.57Å; I257-M322 WeakPolarHBondContact O-CA 3.39Å; L317-M322 HydrophobicContact CD2-CB 4.17Å; L317-M322 WeakPolarHBondContact CD2-O 3.3Å; L317-M322 PolarHBondContact O-N 3.23Å; L317-M322 VanDerWaalsContact O-N 3.08Å; E320-M322 VanDerWaalsContact C-N 3.32Å; E320-M322 HydrophobicContact CB-CB 4.47Å; E320-M322 HydrophobicContact CB-CE 3.37Å; E320-M322 HydrophobicContact CB-CG 4.09Å; E320-M322 HydrophobicContact CG-CE 3.75Å; E320-M322 PolarHBondContact O-N 3.02Å
323V97.8Very high95.5Very high4 Ų444 Ų442%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-119.1150.4166.7-52.20000109.5F256 I257 I259 I262 M335 L336F256-V323 VanDerWaalsContact CA-O 3.3Å; F256-V323 WeakPolarHBondContact CA-O 3.45Å; I257-V323 HydrophobicContact CB-CG2 4.17Å; I257-V323 PolarHBondContact N-O 3.48Å; I257-V323 WeakPolarHBondContact O-CG2 3.45Å; I257-V323 PolarHBondContact O-N 3.38Å; I259-V323 HydrophobicContact CG1-CG1 3.82Å; I262-V323 HydrophobicContact CB-CG2 3.99Å; I262-V323 HydrophobicContact CD1-CG2 4.27Å; I262-V323 HydrophobicContact CG1-CG2 3.98Å; I262-V323 HydrophobicContact CG2-CG1 4.02Å; I262-V323 HydrophobicContact CG2-CG2 4.08Å; V323-M335 HydrophobicContact CB-CB 4.38Å; V323-M335 HydrophobicContact CG1-SD 4.43Å; V323-M335 HydrophobicContact CG2-CB 4.4Å; V323-L336 CarbonylContact C-O 3.56Å; V323-L336 VanDerWaalsContact CA-O 3.29Å; V323-L336 WeakPolarHBondContact CA-O 3.41Å; V323-L336 WeakPolarHBondContact CB-O 3.23Å
324A98.4Very high95.6Very high0 Ų043.6 Ų43.60%025%0.246CC..EExtended strand (participates in β ladder)trans-101.9125.1172.100000109.7I253 G255 F256 L317 M335 L336I253-A324 HydrophobicContact CD1-CB 4.05Å; I253-A324 HydrophobicContact CG1-CB 4.34Å; I253-A324 HydrophobicContact CG2-CB 3.88Å; G255-A324 CarbonylContact O-C 3.54Å; G255-A324 WeakPolarHBondContact O-CA 3.31Å; F256-A324 HydrophobicContact CD1-CB 3.69Å; F256-A324 HydrophobicContact CE1-CB 3.54Å; F256-A324 HydrophobicContact CZ-CB 4.41Å; L317-A324 HydrophobicContact CD1-CB 4.42Å; L317-A324 HydrophobicContact CD2-CB 4.22Å; A324-M335 CarbonylContact O-C 3.51Å; A324-M335 VanDerWaalsContact O-CA 3.29Å; A324-M335 WeakPolarHBondContact O-CA 3.49Å; A324-L336 HydrophobicContact CB-CB 4.2Å; A324-L336 PolarHBondContact N-O 3.3Å; A324-L336 PolarHBondContact O-N 3.09Å
325L97.9Very high95.7Very high5 Ų542.6 Ų42.63%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-73.2130.9172.3-69.9-176.7000109.6I253 V254 G255 I257 I262 F353 I366 L369I253-L325 CarbonylContact C-O 3.45Å; I253-L325 VanDerWaalsContact CA-O 3.3Å; I253-L325 WeakPolarHBondContact CA-O 3.5Å; V254-L325 HydrophobicContact CG2-CB 3.83Å; V254-L325 PolarHBondContact N-O 3.24Å; G255-L325 PolarHBondContact O-N 2.82Å; I257-L325 HydrophobicContact CD1-CD1 3.53Å; I257-L325 HydrophobicContact CD1-CD2 4.27Å; I257-L325 HydrophobicContact CD1-CG 3.95Å; I257-L325 HydrophobicContact CG1-CD1 4.18Å; I257-L325 HydrophobicContact CG1-CG 4.3Å; I262-L325 HydrophobicContact CD1-CD2 4.35Å; L325-F353 HydrophobicContact CD2-CE2 4.11Å; L325-I366 HydrophobicContact CD1-CG2 4.46Å; L325-L369 HydrophobicContact CD1-CD1 3.8Å
326V97.8Very high95.9Very high0 Ų041.2 Ų41.20%023%0.227CC..EExtended strand (participates in β ladder)trans-121134.8-179.261.60000110.3L251 E252 L328 F333 G334 L336 M350L251-V326 HydrophobicContact CB-CG2 3.87Å; L251-V326 HydrophobicContact CD2-CG2 4.38Å; E252-V326 CarbonylContact O-C 3.58Å; E252-V326 WeakPolarHBondContact O-CA 3.46Å; V326-L328 HydrophobicContact CG1-CD2 3.99Å; V326-F333 CarbonylContact O-C 3.5Å; V326-F333 VanDerWaalsContact O-CA 3.31Å; V326-F333 WeakPolarHBondContact O-CA 3.39Å; V326-G334 PolarHBondContact N-O 3.03Å; V326-G334 PolarHBondContact O-N 3.03Å; V326-L336 HydrophobicContact CB-CD1 4.23Å; V326-L336 HydrophobicContact CB-CG 4.48Å; V326-L336 HydrophobicContact CG1-CG 4.32Å; V326-M350 HydrophobicContact CG1-CG 4.25Å; V326-M350 HydrophobicContact CG1-SD 4.05Å
327Q97.1Very high95.9Very high66 Ų6639.5 Ų39.531%0.30821%0.212SC..EExtended strand (participates in β ladder)trans-81.8121.4172.6-172.3170.51.700109.6E252 V254 G329 F333E252-Q327 PolarHBondContact O-N 3.26Å; V254-Q327 HydrophobicContact CG1-CB 4.13Å; Q327-G329 WeakPolarHBondContact CG-O 3.31Å; Q327-G329 PolarHBondContact NE2-O 3.37Å; Q327-F333 HydrophobicContact CB-CD1 4.29Å; Q327-F333 HydrophobicContact CB-CE1 4.26Å; Q327-F333 HydrophobicContact CG-CD1 4.43Å; Q327-F333 HydrophobicContact CG-CE1 4.14Å
328L96.1Very high95.8Very high0 Ų040.4 Ų40.40%022%0.218CC..EExtended strand (participates in β ladder)trans-97.3-21.4-179.6-56.3175.4000111.8V247 S248 L251 V326 W332 F333 M350 L352V247-L328 HydrophobicContact CG1-CB 4.41Å; V247-L328 HydrophobicContact CG1-CD2 3.96Å; S248-L328 VanDerWaalsContact CB-O 3.24Å; S248-L328 WeakPolarHBondContact CB-O 3.24Å; S248-L328 PolarHBondContact N-O 3.33Å; L251-L328 HydrophobicContact CD2-CD2 4.17Å; V326-L328 HydrophobicContact CG1-CD2 3.99Å; L328-W332 HydrophobicContact CB-CB 4.43Å; L328-W332 HydrophobicContact CB-CD2 3.89Å; L328-W332 HydrophobicContact CB-CE3 4.07Å; L328-W332 HydrophobicContact CB-CG 4.05Å; L328-W332 HydrophobicContact CD1-CD2 4.17Å; L328-W332 HydrophobicContact CD1-CG 4.31Å; L328-W332 HydrophobicContact CD1-CZ2 4.37Å; L328-W332 PolarHBondContact N-O 2.87Å; L328-F333 VanDerWaalsContact CD1-C 3.47Å; L328-F333 WeakPolarHBondContact CD1-O 3.3Å; L328-M350 HydrophobicContact CD2-SD 3.85Å; L328-L352 HydrophobicContact CD1-CB 3.87Å; L328-L352 HydrophobicContact CD1-CD2 3.55Å; L328-L352 HydrophobicContact CD1-CG 4.19Å; L328-L352 HydrophobicContact CD2-CD2 3.88Å; L328-L352 HydrophobicContact CG-CD2 4.38Å
329G93.3Very high95.5Very high12 Ų1239 Ų3912%0.12421%0.214CC..EExtended strand (participates in β ladder)trans174.7-170.2179.700000111.5Q327 E331 W332Q327-G329 WeakPolarHBondContact CG-O 3.31Å; Q327-G329 PolarHBondContact NE2-O 3.37Å; G329-E331 PolarHBondContact O-N 2.81Å; G329-W332 PolarHBondContact N-O 3.18Å; G329-W332 PolarHBondContact O-N 2.85Å
330P90.5Very high94.8Very high116 Ų11636.1 Ų36.175%0.75320%0.203SC*.THydrogen-bonded Turntrans-61.7122.2173.7-20.933.3000110.9W332P330-W332 PolarHBondContact O-N 2.94Å; P330-W332 VanDerWaalsContact O-N 3.17Å
331E90.1Very high93.5Very high119 Ų11935.5 Ų35.556%0.55620%0.203SC*.THydrogen-bonded Turntrans50.735-175.4-59.1-165.4120.300113.9G329 G356G329-E331 PolarHBondContact O-N 2.81Å; E331-G356 CarbonylContact O-C 3.6Å; E331-G356 PolarHBondContact O-N 2.95Å
332W95.1Very high92.3Very high3 Ų337 Ų371%0.01121%0.209CC..EExtended strand (participates in β ladder)trans-139.5127.1177.5-169.523.5000111.2V234 K245 V247 L328 G329 P330 L352 F353 P355V234-W332 HydrophobicContact CB-CH2 4.32Å; V234-W332 HydrophobicContact CB-CZ2 4.38Å; V234-W332 HydrophobicContact CG2-CH2 3.89Å; V234-W332 HydrophobicContact CG2-CZ2 3.8Å; K245-W332 HydrophobicContact CB-CE3 4.16Å; K245-W332 HydrophobicContact CB-CZ3 3.96Å; K245-W332 WeakPolarHBondContact O-CZ3 3.22Å; V247-W332 HydrophobicContact CG2-CH2 3.65Å; V247-W332 HydrophobicContact CG2-CZ2 4.3Å; V247-W332 HydrophobicContact CG2-CZ3 3.92Å; L328-W332 HydrophobicContact CB-CB 4.43Å; L328-W332 HydrophobicContact CB-CD2 3.89Å; L328-W332 HydrophobicContact CB-CE3 4.07Å; L328-W332 HydrophobicContact CB-CG 4.05Å; L328-W332 HydrophobicContact CD1-CD2 4.17Å; L328-W332 HydrophobicContact CD1-CG 4.31Å; L328-W332 HydrophobicContact CD1-CZ2 4.37Å; L328-W332 PolarHBondContact N-O 2.87Å; G329-W332 PolarHBondContact N-O 3.18Å; G329-W332 PolarHBondContact O-N 2.85Å; P330-W332 PolarHBondContact O-N 2.94Å; P330-W332 VanDerWaalsContact O-N 3.17Å; W332-L352 HydrophobicContact CZ2-CD1 4.25Å; W332-F353 PolarHBondContact NE1-O 3.49Å; W332-P355 HydrophobicContact CD2-CG 4.18Å; W332-P355 HydrophobicContact CG-CB 4.19Å; W332-P355 HydrophobicContact CG-CG 4.23Å; W332-P355 HydrophobicContact CZ2-CG 4.36Å
333F96.7Very high91Very high21 Ų2144.9 Ų44.99%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-133.7159.8-171.3-59.7-86.6000111.2V326 Q327 L328 F353 I366V326-F333 CarbonylContact O-C 3.5Å; V326-F333 VanDerWaalsContact O-CA 3.31Å; V326-F333 WeakPolarHBondContact O-CA 3.39Å; Q327-F333 HydrophobicContact CB-CD1 4.29Å; Q327-F333 HydrophobicContact CB-CE1 4.26Å; Q327-F333 HydrophobicContact CG-CD1 4.43Å; Q327-F333 HydrophobicContact CG-CE1 4.14Å; L328-F333 VanDerWaalsContact CD1-C 3.47Å; L328-F333 WeakPolarHBondContact CD1-O 3.3Å; F333-F353 HydrophobicContact CB-CD2 4.27Å; F333-F353 VanDerWaalsContact O-CB 3.28Å; F333-F353 WeakPolarHBondContact O-CB 3.36Å; F333-F353 WeakPolarHBondContact O-CD2 3.19Å; F333-F353 PolarHBondContact O-N 3.4Å; F333-F353 VanDerWaalsContact O-N 3.08Å; F333-I366 HydrophobicContact CB-CD1 3.7Å; F333-I366 HydrophobicContact CB-CG2 4.38Å; F333-I366 HydrophobicContact CD1-CG2 3.67Å; F333-I366 HydrophobicContact CD2-CB 3.84Å; F333-I366 HydrophobicContact CD2-CD1 3.82Å; F333-I366 HydrophobicContact CD2-CG1 4.4Å; F333-I366 HydrophobicContact CD2-CG2 3.71Å; F333-I366 HydrophobicContact CE1-CG2 3.75Å; F333-I366 HydrophobicContact CE2-CB 3.9Å; F333-I366 HydrophobicContact CE2-CG2 3.8Å; F333-I366 HydrophobicContact CG-CB 4.25Å; F333-I366 HydrophobicContact CG-CD1 3.9Å; F333-I366 HydrophobicContact CG-CG2 3.65Å; F333-I366 HydrophobicContact CZ-CB 4.35Å; F333-I366 HydrophobicContact CZ-CG2 3.82Å
334G97.5Very high89.5Confident0 Ų054.6 Ų54.60%028%0.284CS..EExtended strand (participates in β ladder)trans-142.9-169172.100000110.9V326 S351V326-G334 PolarHBondContact N-O 3.03Å; V326-G334 PolarHBondContact O-N 3.03Å; G334-S351 CarbonylContact C-O 3.52Å; G334-S351 WeakPolarHBondContact CA-O 3.48Å
335M97.9Very high88.6Confident14 Ų1459.4 Ų59.47%0.06931%0.305CS..EExtended strand (participates in β ladder)trans-135.6142.2173.862175.6-174.300111.9I262 P265 V267 V323 A324 Y337 M350 S351 F353I262-M335 HydrophobicContact CD1-SD 4.45Å; I262-M335 HydrophobicContact CG1-SD 3.75Å; P265-M335 HydrophobicContact CG-CE 3.55Å; P265-M335 HydrophobicContact CG-SD 3.84Å; V267-M335 HydrophobicContact CG1-CE 4.3Å; V323-M335 HydrophobicContact CB-CB 4.38Å; V323-M335 HydrophobicContact CG1-SD 4.43Å; V323-M335 HydrophobicContact CG2-CB 4.4Å; A324-M335 CarbonylContact O-C 3.51Å; A324-M335 VanDerWaalsContact O-CA 3.29Å; A324-M335 WeakPolarHBondContact O-CA 3.49Å; M335-Y337 HydrophobicContact CE-CD1 4.07Å; M335-Y337 HydrophobicContact CE-CE1 3.95Å; M335-Y337 HydrophobicContact CG-CD1 4.03Å; M335-Y337 HydrophobicContact CG-CE1 4.37Å; M335-Y337 HydrophobicContact SD-CD1 4.37Å; M335-M350 CarbonylContact O-C 3.55Å; M335-M350 VanDerWaalsContact O-CA 3.27Å; M335-M350 WeakPolarHBondContact O-CA 3.29Å; M335-S351 PolarHBondContact N-O 2.81Å; M335-S351 PolarHBondContact O-N 3.22Å; M335-F353 HydrophobicContact CB-CE2 4.34Å; M335-F353 HydrophobicContact CB-CZ 3.77Å; M335-F353 HydrophobicContact CE-CE1 4.43Å; M335-F353 HydrophobicContact CG-CE1 3.97Å; M335-F353 HydrophobicContact CG-CZ 3.66Å; M335-F353 HydrophobicContact SD-CE1 4.06Å; M335-F353 HydrophobicContact SD-CZ 3.89Å
336L98.3Very high88Confident0 Ų060 Ų600%031%0.309CS..EExtended strand (participates in β ladder)trans-100.9134.3167.7-68.4160.3000109.4L216 I253 V273 L313 L317 V323 A324 V326 L348 M349 M350L216-L336 HydrophobicContact CD1-CD1 3.5Å; L216-L336 HydrophobicContact CD2-CD1 4.27Å; I253-L336 HydrophobicContact CD1-CD1 3.87Å; I253-L336 HydrophobicContact CG1-CD1 3.97Å; V273-L336 HydrophobicContact CB-CD2 4.43Å; V273-L336 HydrophobicContact CG2-CD2 3.74Å; L313-L336 HydrophobicContact CD2-CD1 4.32Å; L317-L336 HydrophobicContact CD1-CB 4.44Å; V323-L336 CarbonylContact C-O 3.56Å; V323-L336 VanDerWaalsContact CA-O 3.29Å; V323-L336 WeakPolarHBondContact CA-O 3.41Å; V323-L336 WeakPolarHBondContact CB-O 3.23Å; A324-L336 HydrophobicContact CB-CB 4.2Å; A324-L336 PolarHBondContact N-O 3.3Å; A324-L336 PolarHBondContact O-N 3.09Å; V326-L336 HydrophobicContact CB-CD1 4.23Å; V326-L336 HydrophobicContact CB-CG 4.48Å; V326-L336 HydrophobicContact CG1-CG 4.32Å; L336-L348 HydrophobicContact CB-CD1 4.31Å; L336-L348 HydrophobicContact CD2-CD2 4.48Å; L336-L348 HydrophobicContact CD2-CG 4.31Å; L336-M349 CarbonylContact C-O 3.55Å; L336-M349 VanDerWaalsContact CA-O 3.23Å; L336-M349 WeakPolarHBondContact CA-O 3.26Å; L336-M350 HydrophobicContact CD2-CB 3.65Å; L336-M350 HydrophobicContact CD2-CG 4.01Å; L336-M350 HydrophobicContact CD2-SD 4.42Å
337Y97.1Very high87.6Confident21 Ų2162 Ų628%0.08232%0.32CS..EExtended strand (participates in β ladder)trans-152.8158.5-176.860.9-79.6000111M335 Q339 M349 S351M335-Y337 HydrophobicContact CE-CD1 4.07Å; M335-Y337 HydrophobicContact CE-CE1 3.95Å; M335-Y337 HydrophobicContact CG-CD1 4.03Å; M335-Y337 HydrophobicContact CG-CE1 4.37Å; M335-Y337 HydrophobicContact SD-CD1 4.37Å; Y337-Q339 HydrophobicContact CD2-CB 4.4Å; Y337-Q339 HydrophobicContact CE2-CB 4.04Å; Y337-M349 HydrophobicContact CE1-CB 4.09Å; Y337-M349 HydrophobicContact CE2-CB 4.06Å; Y337-M349 PolarHBondContact N-O 3.23Å; Y337-M349 PolarHBondContact O-N 3.12Å; Y337-S351 VanDerWaalsContact CE1-OG 3.25Å; Y337-S351 WeakPolarHBondContact CE1-OG 3.46Å; Y337-S351 PolarHBondContact OH-OG 3.45Å; Y337-S351 VanDerWaalsContact OH-OG 3.05Å
338S94.9Very high87.6Confident24 Ų2459.3 Ų59.317%0.16831%0.308CS..EExtended strand (participates in β ladder)trans-82.1120.3171.61630000109.7
339Q87.4Confident87.5Confident85 Ų8560.7 Ų60.740%0.39731%0.314SS..EExtended strand (participates in β ladder)trans-106.1127.4170.3-177.666.320.800110.3Y337 S346 N347 M349Y337-Q339 HydrophobicContact CD2-CB 4.4Å; Y337-Q339 HydrophobicContact CE2-CB 4.04Å; Q339-S346 CarbonylContact O-C 3.53Å; Q339-S346 WeakPolarHBondContact O-CA 3.47Å; Q339-S346 VanDerWaalsContact O-CB 3.27Å; Q339-S346 WeakPolarHBondContact O-CB 3.48Å; Q339-N347 PolarHBondContact N-O 3.26Å; Q339-N347 PolarHBondContact O-N 3.49Å; Q339-M349 HydrophobicContact CB-CB 4.32Å; Q339-M349 HydrophobicContact CB-CG 3.82Å; Q339-M349 HydrophobicContact CB-SD 3.26Å; Q339-M349 WeakPolarHBondContact CB-SD 3.39Å; Q339-M349 HydrophobicContact CG-SD 3.51Å; Q339-M349 VanDerWaalsContact CG-SD 3.51Å
340A80.1Confident87.7Confident58 Ų5860.1 Ų60.148%0.47931%0.308SS..EExtended strand (participates in β ladder)trans-80.1117.4167.500000109.9
341D68.4Low88.1Confident111 Ų11154.6 Ų54.659%0.59427%0.273SS*.SBendtrans-80.9-35.6171.3-170.312.4000109.8K345D341-K345 PolarHBondContact N-O 2.99Å
342S69.8Low88.4Confident61 Ų6148.9 Ų48.943%0.42725%0.246SC..SBendtrans-148.3178.3171.569.30000110.8K344 K345S342-K344 PolarHBondContact O-N 3Å; S342-K344 PolarHBondContact OG-N 3.19Å; S342-K345 PolarHBondContact N-O 3.44Å; S342-K345 VanDerWaalsContact N-O 3.14Å; S342-K345 PolarHBondContact O-N 3.45Å; S342-K345 PolarHBondContact OG-N 3.29Å
343K69.6Low88.4Confident223 Ų22348.8 Ų48.897%0.9725%0.246SC*.SBendtrans-54.5-22.5172.6-67.2-174.7179.9-179.40113.7
344K65.9Low88.3Confident207 Ų20752.7 Ų52.790%0.926%0.264SS*.SBendtrans-112.4-18.1-174.9-66.8-174.7178-178.20114.4S342S342-K344 PolarHBondContact O-N 3Å; S342-K344 PolarHBondContact OG-N 3.19Å
345K79.1Confident88Confident101 Ų10153.3 Ų53.344%0.43927%0.268SS..  trans-124122.1-174.1-165.8-179.1-176-171.50110D341 S342D341-K345 PolarHBondContact N-O 2.99Å; S342-K345 PolarHBondContact N-O 3.44Å; S342-K345 VanDerWaalsContact N-O 3.14Å; S342-K345 PolarHBondContact O-N 3.45Å; S342-K345 PolarHBondContact OG-N 3.29Å
346S85.3Confident87.6Confident18 Ų1853.9 Ų53.913%0.12628%0.277CS..EExtended strand (participates in β ladder)trans-128.9147.3166.861.90000109.5H314 K318 Q339H314-S346 PolarHBondContact CE1-O 3.45Å; H314-S346 PolarHBondContact CE1-OG 2.81Å; H314-S346 WeakPolarHBondContact NE2-CB 3.3Å; H314-S346 PolarHBondContact NE2-O 2.83Å; H314-S346 PolarHBondContact NE2-OG 2.99Å; K318-S346 PolarHBondContact NZ-OG 3Å; Q339-S346 CarbonylContact O-C 3.53Å; Q339-S346 WeakPolarHBondContact O-CA 3.47Å; Q339-S346 VanDerWaalsContact O-CB 3.27Å; Q339-S346 WeakPolarHBondContact O-CB 3.48Å
347N89.9Confident86.9Confident43 Ų4356.1 Ų56.123%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-131.6159.3178-56.9-71.3000110L272 H314 Q339 M349L272-N347 HydrophobicContact CD2-CB 3.65Å; H314-N347 VanDerWaalsContact CD2-C 3.49Å; Q339-N347 PolarHBondContact N-O 3.26Å; Q339-N347 PolarHBondContact O-N 3.49Å; N347-M349 PolarHBondContact O-N 3.1Å
348L95.9Very high86.6Confident8 Ų858.5 Ų58.54%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-69.6127.5167.9-168.561.1000109.3L216 V273 C310 L313 H314 L317 L336L216-L348 HydrophobicContact CD2-CD2 4.27Å; V273-L348 HydrophobicContact CB-CB 4.44Å; V273-L348 HydrophobicContact CB-CD2 4.07Å; V273-L348 HydrophobicContact CB-CG 4.15Å; V273-L348 HydrophobicContact CG1-CD2 4.05Å; V273-L348 PolarHBondContact N-O 3.37Å; C310-L348 HydrophobicContact CB-CD2 4.3Å; L313-L348 HydrophobicContact CD2-CD1 4.49Å; L313-L348 HydrophobicContact CD2-CD2 4.14Å; H314-L348 HydrophobicContact CB-CB 4.16Å; H314-L348 HydrophobicContact CB-CD1 4.31Å; L317-L348 HydrophobicContact CD1-CD1 3.92Å; L336-L348 HydrophobicContact CB-CD1 4.31Å; L336-L348 HydrophobicContact CD2-CD2 4.48Å; L336-L348 HydrophobicContact CD2-CG 4.31Å
349M95.6Very high86.4Confident29 Ų2958.6 Ų58.614%0.14331%0.307CS..EExtended strand (participates in β ladder)trans-124148.1175.6-74.1-167.860.700110.5R270 H271 L272 L336 Y337 Q339 N347R270-M349 HydrophobicContact CB-CE 3.72Å; H271-M349 CarbonylContact O-C 3.53Å; H271-M349 VanDerWaalsContact O-CA 3.23Å; H271-M349 WeakPolarHBondContact O-CA 3.48Å; L272-M349 HydrophobicContact CD2-CG 3.77Å; L272-M349 HydrophobicContact CD2-SD 4.37Å; L336-M349 CarbonylContact C-O 3.55Å; L336-M349 VanDerWaalsContact CA-O 3.23Å; L336-M349 WeakPolarHBondContact CA-O 3.26Å; Y337-M349 HydrophobicContact CE1-CB 4.09Å; Y337-M349 HydrophobicContact CE2-CB 4.06Å; Y337-M349 PolarHBondContact N-O 3.23Å; Y337-M349 PolarHBondContact O-N 3.12Å; Q339-M349 HydrophobicContact CB-CB 4.32Å; Q339-M349 HydrophobicContact CB-CG 3.82Å; Q339-M349 HydrophobicContact CB-SD 3.26Å; Q339-M349 WeakPolarHBondContact CB-SD 3.39Å; Q339-M349 HydrophobicContact CG-SD 3.51Å; Q339-M349 VanDerWaalsContact CG-SD 3.51Å; N347-M349 PolarHBondContact O-N 3.1Å
350M97.7Very high86.8Confident0 Ų054.6 Ų54.60%029%0.289CS..EExtended strand (participates in β ladder)trans-113.1134.6170.8-171.9170.459.800109.1V227 L251 R270 H271 V273 V326 L328 M335 L336 L352V227-M350 HydrophobicContact CB-CE 4.47Å; V227-M350 HydrophobicContact CG1-CE 3.55Å; V227-M350 HydrophobicContact CG2-CE 4.04Å; L251-M350 HydrophobicContact CD1-CE 4.39Å; L251-M350 HydrophobicContact CD1-SD 4.2Å; L251-M350 HydrophobicContact CD2-SD 4.41Å; R270-M350 CarbonylContact C-O 3.51Å; R270-M350 WeakPolarHBondContact CA-O 3.41Å; H271-M350 PolarHBondContact N-O 3.2Å; H271-M350 PolarHBondContact O-N 2.94Å; V273-M350 HydrophobicContact CG2-CB 3.65Å; V326-M350 HydrophobicContact CG1-CG 4.25Å; V326-M350 HydrophobicContact CG1-SD 4.05Å; L328-M350 HydrophobicContact CD2-SD 3.85Å; M335-M350 CarbonylContact O-C 3.55Å; M335-M350 VanDerWaalsContact O-CA 3.27Å; M335-M350 WeakPolarHBondContact O-CA 3.29Å; L336-M350 HydrophobicContact CD2-CB 3.65Å; L336-M350 HydrophobicContact CD2-CG 4.01Å; L336-M350 HydrophobicContact CD2-SD 4.42Å; M350-L352 HydrophobicContact CE-CD2 3.85Å; M350-L352 HydrophobicContact CG-CD2 4.08Å; M350-L352 HydrophobicContact SD-CD2 4.19Å
351S97.3Very high87.5Confident0 Ų055.7 Ų55.70%029%0.291CS..EExtended strand (participates in β ladder)trans-116.4140.6166.9-75.50000109.9S269 G334 M335 Y337S269-S351 WeakPolarHBondContact O-CA 3.34Å; G334-S351 CarbonylContact C-O 3.52Å; G334-S351 WeakPolarHBondContact CA-O 3.48Å; M335-S351 PolarHBondContact N-O 2.81Å; M335-S351 PolarHBondContact O-N 3.22Å; Y337-S351 VanDerWaalsContact CE1-OG 3.25Å; Y337-S351 WeakPolarHBondContact CE1-OG 3.46Å; Y337-S351 PolarHBondContact OH-OG 3.45Å; Y337-S351 VanDerWaalsContact OH-OG 3.05Å
352L96.8Very high88.8Confident0 Ų053.9 Ų53.90%028%0.276CS..EExtended strand (participates in β ladder)trans-97.6129.8178.8-40.8-175.8000109.4P231 V247 V267 I268 S269 L328 W332 M350P231-L352 HydrophobicContact CB-CD1 4.18Å; V247-L352 HydrophobicContact CG2-CD1 3.9Å; V247-L352 HydrophobicContact CG2-CD2 4.49Å; V267-L352 CarbonylContact C-O 3.01Å; V267-L352 VanDerWaalsContact CA-O 3.27Å; V267-L352 WeakPolarHBondContact CA-O 3.48Å; V267-L352 WeakPolarHBondContact CB-O 3.26Å; I268-L352 PolarHBondContact N-O 3.31Å; S269-L352 PolarHBondContact O-N 2.88Å; S269-L352 VanDerWaalsContact O-N 3.11Å; S269-L352 WeakPolarHBondContact OG-CD1 3.45Å; L328-L352 HydrophobicContact CD1-CB 3.87Å; L328-L352 HydrophobicContact CD1-CD2 3.55Å; L328-L352 HydrophobicContact CD1-CG 4.19Å; L328-L352 HydrophobicContact CD2-CD2 3.88Å; L328-L352 HydrophobicContact CG-CD2 4.38Å; W332-L352 HydrophobicContact CZ2-CD1 4.25Å; M350-L352 HydrophobicContact CE-CD2 3.85Å; M350-L352 HydrophobicContact CG-CD2 4.08Å; M350-L352 HydrophobicContact SD-CD2 4.19Å
353F96Very high90.1Very high0 Ų051.2 Ų51.20%026%0.257CS..PPolyproline II helixtrans-81.6169.8170.7-55.3-45.2000110.7I262 P265 V267 I268 L325 W332 F333 M335 P359 L360 I366I262-F353 HydrophobicContact CD1-CZ 4.11Å; P265-F353 HydrophobicContact CB-CD1 4.31Å; P265-F353 HydrophobicContact CB-CE1 3.76Å; P265-F353 HydrophobicContact CG-CE1 3.66Å; P265-F353 HydrophobicContact CG-CZ 4.34Å; V267-F353 HydrophobicContact CG1-CD1 3.97Å; V267-F353 HydrophobicContact CG1-CE1 4.03Å; I268-F353 WeakPolarHBondContact CD1-O 3.48Å; L325-F353 HydrophobicContact CD2-CE2 4.11Å; W332-F353 PolarHBondContact NE1-O 3.49Å; F333-F353 HydrophobicContact CB-CD2 4.27Å; F333-F353 VanDerWaalsContact O-CB 3.28Å; F333-F353 WeakPolarHBondContact O-CB 3.36Å; F333-F353 WeakPolarHBondContact O-CD2 3.19Å; F333-F353 PolarHBondContact O-N 3.4Å; F333-F353 VanDerWaalsContact O-N 3.08Å; M335-F353 HydrophobicContact CB-CE2 4.34Å; M335-F353 HydrophobicContact CB-CZ 3.77Å; M335-F353 HydrophobicContact CE-CE1 4.43Å; M335-F353 HydrophobicContact CG-CE1 3.97Å; M335-F353 HydrophobicContact CG-CZ 3.66Å; M335-F353 HydrophobicContact SD-CE1 4.06Å; M335-F353 HydrophobicContact SD-CZ 3.89Å; F353-P359 HydrophobicContact CB-CB 3.91Å; F353-P359 HydrophobicContact CB-CG 4.17Å; F353-L360 HydrophobicContact CD1-CD1 4.3Å; F353-L360 HydrophobicContact CD2-CD1 4.41Å; F353-L360 HydrophobicContact CE1-CD1 3.93Å; F353-L360 HydrophobicContact CE2-CD1 4.03Å; F353-L360 HydrophobicContact CZ-CD1 3.77Å; F353-I366 HydrophobicContact CD2-CD1 4.32Å
354E93Very high91.3Very high103 Ų10341.2 Ų41.248%0.48122%0.217SC..PPolyproline II helixtrans-59.2134.9168.9-162.262.8-153.200110I268 G356I268-E354 WeakPolarHBondContact CG1-OE2 3.48Å; E354-G356 PolarHBondContact O-N 3.07Å
355P92.1Very high92.6Very high14 Ų1436 Ų369%0.09120%0.195CC..SBendtrans-57.5137.7170.9-22.130.7000111.3V234 V236 K245 W332V234-P355 HydrophobicContact CB-CG 4.37Å; V234-P355 HydrophobicContact CG1-CG 3.95Å; V236-P355 HydrophobicContact CG2-CB 3.95Å; V236-P355 HydrophobicContact CG2-CG 4.03Å; K245-P355 HydrophobicContact CD-CB 4.11Å; W332-P355 HydrophobicContact CD2-CG 4.18Å; W332-P355 HydrophobicContact CG-CB 4.19Å; W332-P355 HydrophobicContact CG-CG 4.23Å; W332-P355 HydrophobicContact CZ2-CG 4.36Å
356G88.7Confident93.3Very high25 Ų2531.6 Ų31.626%0.25818%0.176SC..SBendtrans140174.2177.600000113.7E331 E354E331-G356 CarbonylContact O-C 3.6Å; E331-G356 PolarHBondContact O-N 2.95Å; E354-G356 PolarHBondContact O-N 3.07Å
357S84.6Confident93.6Very high48 Ų4834.5 Ų34.534%0.33620%0.196SC..SBendtrans-76.4-25.5-172.1660000114.7K365 I366S357-K365 VanDerWaalsContact O-CA 3.3Å; S357-K365 WeakPolarHBondContact O-CA 3.35Å; S357-I366 PolarHBondContact O-N 2.81Å
358D89.9Confident93.8Very high71 Ų7139.3 Ų39.338%0.3822%0.216SC..  trans-141.465.9-173.9-170.97.7000110.8L360 G364 K365D358-L360 PolarHBondContact O-N 3.11Å; D358-G364 WeakPolarHBondContact OD1-CA 3.4Å; D358-K365 HydrophobicContact CB-CG 4.48Å
359P91.9Very high93.7Very high25 Ų2541.8 Ų41.816%0.16223%0.23CC..SBendtrans-67.9-24.5-179.527.9-34.5000112.3F353 I366F353-P359 HydrophobicContact CB-CB 3.91Å; F353-P359 HydrophobicContact CB-CG 4.17Å; P359-I366 HydrophobicContact CG-CD1 3.48Å; P359-I366 VanDerWaalsContact CG-CD1 3.48Å; P359-I366 HydrophobicContact CG-CG1 4.31Å
360L95.8Very high93.7Very high1 Ų143.1 Ų43.11%0.00525%0.25CS..  trans-129.195.6-174.9-58.4-179.3000110I262 P265 P266 F353 D358 W362 L363 G364I262-L360 HydrophobicContact CD1-CD1 3.94Å; P265-L360 HydrophobicContact CB-CD1 3.79Å; P265-L360 HydrophobicContact CB-CD2 3.4Å; P265-L360 VanDerWaalsContact CB-CD2 3.4Å; P265-L360 HydrophobicContact CB-CG 4.27Å; P266-L360 HydrophobicContact CG-CD2 4.43Å; F353-L360 HydrophobicContact CD1-CD1 4.3Å; F353-L360 HydrophobicContact CD2-CD1 4.41Å; F353-L360 HydrophobicContact CE1-CD1 3.93Å; F353-L360 HydrophobicContact CE2-CD1 4.03Å; F353-L360 HydrophobicContact CZ-CD1 3.77Å; D358-L360 PolarHBondContact O-N 3.11Å; L360-W362 HydrophobicContact CB-CZ2 4.39Å; L360-W362 HydrophobicContact CD2-CH2 3.99Å; L360-W362 HydrophobicContact CD2-CZ2 3.78Å; L360-W362 HydrophobicContact CG-CZ2 4.49Å; L360-W362 PolarHBondContact O-N 3.37Å; L360-L363 HydrophobicContact CB-CB 4.37Å; L360-L363 HydrophobicContact CB-CD1 4.39Å; L360-L363 HydrophobicContact CB-CG 4.31Å; L360-L363 HydrophobicContact CD1-CD1 3.92Å; L360-L363 PolarHBondContact O-N 2.97Å; L360-G364 PolarHBondContact O-N 3.05Å; L360-G364 VanDerWaalsContact O-N 3.08Å
361P95.1Very high93.6Very high81 Ų8146.3 Ų46.353%0.52627%0.271SS..THydrogen-bonded Turntrans-58.7-24.3-172.6-28.435.3000115.3
362W96.1Very high93.5Very high73 Ų7349.4 Ų49.428%0.27729%0.29SS..THydrogen-bonded Turntrans-81.7-12.4177.657.387.3000113.7I262 P265 L360 F389 P390 V391I262-W362 PolarHBondContact O-NE1 3Å; P265-W362 HydrophobicContact CB-CZ2 4.21Å; L360-W362 HydrophobicContact CB-CZ2 4.39Å; L360-W362 HydrophobicContact CD2-CH2 3.99Å; L360-W362 HydrophobicContact CD2-CZ2 3.78Å; L360-W362 HydrophobicContact CG-CZ2 4.49Å; L360-W362 PolarHBondContact O-N 3.37Å; W362-F389 WeakPolarHBondContact O-CD1 3.4Å; W362-P390 HydrophobicContact CB-CB 3.72Å; W362-V391 WeakPolarHBondContact O-CB 3.25Å; W362-V391 WeakPolarHBondContact O-CG2 3.46Å; W362-V391 PolarHBondContact O-N 3.22Å
363L96.2Very high93.3Very high6 Ų654.6 Ų54.63%0.03133%0.326CS..THydrogen-bonded Turntrans-97.1-22165.6-61.1-173.3000111.7I257 I262 L360 F389I257-L363 HydrophobicContact CD1-CD1 3.79Å; I257-L363 HydrophobicContact CD1-CD2 4.24Å; I262-L363 HydrophobicContact CD1-CD1 3.65Å; L360-L363 HydrophobicContact CB-CB 4.37Å; L360-L363 HydrophobicContact CB-CD1 4.39Å; L360-L363 HydrophobicContact CB-CG 4.31Å; L360-L363 HydrophobicContact CD1-CD1 3.92Å; L360-L363 PolarHBondContact O-N 2.97Å; L363-F389 HydrophobicContact CB-CE1 4.28Å; L363-F389 HydrophobicContact CD2-CD1 3.51Å; L363-F389 HydrophobicContact CD2-CD2 4.13Å; L363-F389 HydrophobicContact CD2-CE1 3.57Å; L363-F389 HydrophobicContact CD2-CE2 4.17Å; L363-F389 HydrophobicContact CD2-CG 3.8Å; L363-F389 HydrophobicContact CD2-CZ 3.91Å
364G94.4Very high93.2Very high13 Ų1362.1 Ų62.113%0.13436%0.361CS..  trans72-157.2-172.400000111.4D358 L360 I366D358-G364 WeakPolarHBondContact OD1-CA 3.4Å; L360-G364 PolarHBondContact O-N 3.05Å; L360-G364 VanDerWaalsContact O-N 3.08Å; G364-I366 PolarHBondContact O-N 3.44Å; G364-I366 VanDerWaalsContact O-N 3.16Å
365K94.1Very high93.2Very high98 Ų9859.5 Ų59.543%0.42636%0.357SS..  trans-65.6117.4-178-65.4-174.2178.2-169.40111S357 D358 S367 H368S357-K365 VanDerWaalsContact O-CA 3.3Å; S357-K365 WeakPolarHBondContact O-CA 3.35Å; D358-K365 HydrophobicContact CB-CG 4.48Å; K365-S367 PolarHBondContact O-N 3.08Å; K365-H368 HydrophobicContact CB-CB 4.26Å; K365-H368 WeakPolarHBondContact O-CB 3.43Å; K365-H368 PolarHBondContact O-N 2.91Å
366I93.1Very high93.2Very high8 Ų864 Ų644%0.04140%0.396CS..G310 helixtrans-60.1-35.8-177.8-63.8178.7000111.1L325 F333 F353 S357 P359 G364 H368 L369L325-I366 HydrophobicContact CD1-CG2 4.46Å; F333-I366 HydrophobicContact CB-CD1 3.7Å; F333-I366 HydrophobicContact CB-CG2 4.38Å; F333-I366 HydrophobicContact CD1-CG2 3.67Å; F333-I366 HydrophobicContact CD2-CB 3.84Å; F333-I366 HydrophobicContact CD2-CD1 3.82Å; F333-I366 HydrophobicContact CD2-CG1 4.4Å; F333-I366 HydrophobicContact CD2-CG2 3.71Å; F333-I366 HydrophobicContact CE1-CG2 3.75Å; F333-I366 HydrophobicContact CE2-CB 3.9Å; F333-I366 HydrophobicContact CE2-CG2 3.8Å; F333-I366 HydrophobicContact CG-CB 4.25Å; F333-I366 HydrophobicContact CG-CD1 3.9Å; F333-I366 HydrophobicContact CG-CG2 3.65Å; F333-I366 HydrophobicContact CZ-CB 4.35Å; F333-I366 HydrophobicContact CZ-CG2 3.82Å; F353-I366 HydrophobicContact CD2-CD1 4.32Å; S357-I366 PolarHBondContact O-N 2.81Å; P359-I366 HydrophobicContact CG-CD1 3.48Å; P359-I366 VanDerWaalsContact CG-CD1 3.48Å; P359-I366 HydrophobicContact CG-CG1 4.31Å; G364-I366 PolarHBondContact O-N 3.44Å; G364-I366 VanDerWaalsContact O-N 3.16Å; I366-H368 PolarHBondContact O-N 3.11Å; I366-H368 VanDerWaalsContact O-N 3.13Å; I366-L369 HydrophobicContact CG2-CD1 4.34Å; I366-L369 WeakPolarHBondContact O-CB 3.49Å; I366-L369 PolarHBondContact O-N 3.43Å
367S92.1Very high93.4Very high78 Ų7870.7 Ų70.755%0.54542%0.42SS..G310 helixtrans-65-13176.155.90000114.7K365K365-S367 PolarHBondContact O-N 3.08Å
368H94Very high93.8Very high144 Ų14472.1 Ų72.167%0.66742%0.424SS*.G310 helixtrans-99.8-1.9176.1-66.6-166000112.5K365 I366 G370K365-H368 HydrophobicContact CB-CB 4.26Å; K365-H368 WeakPolarHBondContact O-CB 3.43Å; K365-H368 PolarHBondContact O-N 2.91Å; I366-H368 PolarHBondContact O-N 3.11Å; I366-H368 VanDerWaalsContact O-N 3.13Å; H368-G370 PolarHBondContact O-N 2.91Å
369L94.6Very high94Very high61 Ų6171 Ų7132%0.31942%0.421SS..  trans-72120.3173-61.3-179.5000108.6I257 L325 I366 F389I257-L369 HydrophobicContact CD1-CD1 4.18Å; L325-L369 HydrophobicContact CD1-CD1 3.8Å; I366-L369 HydrophobicContact CG2-CD1 4.34Å; I366-L369 WeakPolarHBondContact O-CB 3.49Å; I366-L369 PolarHBondContact O-N 3.43Å; L369-F389 HydrophobicContact CD2-CE1 4.15Å; L369-F389 HydrophobicContact CD2-CZ 3.85Å
370G95.3Very high94.1Very high56 Ų5671.3 Ų71.358%0.57742%0.419SS*.  trans-116.6165.9-17900000112.1H368H368-G370 PolarHBondContact O-N 2.91Å
371P95.6Very high93.9Very high67 Ų6771.9 Ų71.944%0.43543%0.425SS..  trans-67.7144.1176.730.3-35.1000111S373 E374P371-S373 PolarHBondContact O-N 3.18Å; P371-S373 VanDerWaalsContact O-N 3.09Å; P371-E374 HydrophobicContact CG-CB 4.27Å; P371-E374 HydrophobicContact CG-CG 3.81Å; P371-E374 PolarHBondContact O-N 2.94Å
372V94.1Very high93.6Very high65 Ų6577.2 Ų77.239%0.39444%0.443SS..G310 helixtrans-56.4-28.6177172.10000112.3E374 A375 N378 P379 Y380V372-E374 PolarHBondContact O-N 3.46Å; V372-A375 WeakPolarHBondContact O-CB 3.27Å; V372-A375 PolarHBondContact O-N 3.25Å; V372-A375 VanDerWaalsContact O-N 3.1Å; V372-N378 HydrophobicContact CG1-CB 4.2Å; V372-N378 WeakPolarHBondContact CG1-OD1 3.45Å; V372-P379 HydrophobicContact CG2-CG 4.34Å; V372-Y380 HydrophobicContact CG2-CD2 4.19Å; V372-Y380 HydrophobicContact CG2-CE2 4.24Å
373S93.5Very high93.4Very high109 Ų10980.6 Ų80.676%0.76247%0.466SS*.G310 helixtrans-64.2-19.8177.955.10000114.6P371P371-S373 PolarHBondContact O-N 3.18Å; P371-S373 VanDerWaalsContact O-N 3.09Å
374E93.8Very high93Very high158 Ų15885.1 Ų85.174%0.73849%0.49SS*.G310 helixtrans-91.9-10.4176.6-71.9178.4-163.600112.7P371 V372P371-E374 HydrophobicContact CG-CB 4.27Å; P371-E374 HydrophobicContact CG-CG 3.81Å; P371-E374 PolarHBondContact O-N 2.94Å; V372-E374 PolarHBondContact O-N 3.46Å
375A92.3Very high92.9Very high48 Ų4888.8 Ų88.840%0.39751%0.514SS..SBendtrans-76.3146.3175.200000110.9V372 E377V372-A375 WeakPolarHBondContact O-CB 3.27Å; V372-A375 PolarHBondContact O-N 3.25Å; V372-A375 VanDerWaalsContact O-N 3.1Å; A375-E377 WeakPolarHBondContact CB-O 3.12Å; A375-E377 PolarHBondContact O-N 3.4Å
376A92.1Very high92.9Very high109 Ų10991.1 Ų91.190%0.90152%0.524SS*.SBendtrans-64-32177.200000112.6
377E92.8Very high93Very high166 Ų16692.9 Ų92.978%0.77654%0.537SS*.SBendtrans-137.8149.7175.9-64.9179.8-178.300108.3A375 P379A375-E377 WeakPolarHBondContact CB-O 3.12Å; A375-E377 PolarHBondContact O-N 3.4Å; E377-P379 VanDerWaalsContact O-CD 3.27Å; E377-P379 WeakPolarHBondContact O-CD 3.39Å; E377-P379 VanDerWaalsContact O-N 3.16Å
378N93.6Very high93.1Very high77 Ų7791.8 Ų91.841%0.41253%0.528SS..  trans-64.8115.2175.7-177.7-4.6000109.4V372 Y380 G381V372-N378 HydrophobicContact CG1-CB 4.2Å; V372-N378 WeakPolarHBondContact CG1-OD1 3.45Å; N378-Y380 PolarHBondContact O-N 3Å; N378-Y380 WeakPolarHBondContact OD1-CB 3.04Å; N378-Y380 PolarHBondContact OD1-N 3.07Å; N378-G381 PolarHBondContact ND2-O 3.07Å; N378-G381 VanDerWaalsContact ND2-O 3.14Å; N378-G381 PolarHBondContact O-N 3.17Å
379P93.4Very high93.3Very high47 Ų4786.3 Ų86.331%0.30550%0.503SS..THydrogen-bonded Turntrans-67.2-19.8-177.328.4-34.2000113.1V372 E377 G381 P388V372-P379 HydrophobicContact CG2-CG 4.34Å; E377-P379 VanDerWaalsContact O-CD 3.27Å; E377-P379 WeakPolarHBondContact O-CD 3.39Å; E377-P379 VanDerWaalsContact O-N 3.16Å; P379-G381 VanDerWaalsContact C-N 3.3Å; P379-P388 HydrophobicContact CB-CB 3.84Å; P379-P388 HydrophobicContact CB-CG 3.86Å; P379-P388 HydrophobicContact CG-CG 4.13Å
380Y93.8Very high93.4Very high33 Ų3387.7 Ų87.713%0.12952%0.515CS..THydrogen-bonded Turntrans-82.5-8.8173.9-66.9-84.6000113.1D261 V372 N378 D384 S385 K386 P388 F389D261-Y380 WeakPolarHBondContact OD2-CE1 3.35Å; D261-Y380 PolarHBondContact OD2-OH 3.14Å; V372-Y380 HydrophobicContact CG2-CD2 4.19Å; V372-Y380 HydrophobicContact CG2-CE2 4.24Å; N378-Y380 PolarHBondContact O-N 3Å; N378-Y380 WeakPolarHBondContact OD1-CB 3.04Å; N378-Y380 PolarHBondContact OD1-N 3.07Å; Y380-D384 WeakPolarHBondContact CB-OD1 3.33Å; Y380-D384 CarbonylContact O-C 3.56Å; Y380-D384 VanDerWaalsContact O-CA 3.3Å; Y380-D384 WeakPolarHBondContact O-CA 3.47Å; Y380-S385 PolarHBondContact O-N 3.2Å; Y380-S385 VanDerWaalsContact O-N 3.09Å; Y380-K386 VanDerWaalsContact CA-O 3.27Å; Y380-K386 WeakPolarHBondContact CA-O 3.16Å; Y380-K386 WeakPolarHBondContact CD1-O 3.41Å; Y380-K386 PolarHBondContact O-N 2.87Å; Y380-P388 HydrophobicContact CE2-CG 4.11Å; Y380-F389 WeakPolarHBondContact OH-CE2 3.22Å
381G92.4Very high93.4Very high12 Ų1288.3 Ų88.312%0.12451%0.508CS..THydrogen-bonded Turntrans77.7166.5-17300000112.7N378 P379 D383 D384N378-G381 PolarHBondContact ND2-O 3.07Å; N378-G381 VanDerWaalsContact ND2-O 3.14Å; N378-G381 PolarHBondContact O-N 3.17Å; P379-G381 VanDerWaalsContact C-N 3.3Å; G381-D383 VanDerWaalsContact C-N 3.29Å; G381-D383 PolarHBondContact O-N 3.37Å; G381-D384 PolarHBondContact O-N 3.45Å
382E89.3Confident93.3Very high194 Ų19492.5 Ų92.591%0.90752%0.521SS*.THydrogen-bonded Turntrans-67.1-31.8-179.5-63.7-175.9167.400112.7
383D90.4Very high93.2Very high144 Ų14492.8 Ų92.877%0.7753%0.525SS*.THydrogen-bonded Turntrans-102.514.2-179.1-60.2-38.6000113.3G381 S385G381-D383 VanDerWaalsContact C-N 3.29Å; G381-D383 PolarHBondContact O-N 3.37Å; D383-S385 VanDerWaalsContact C-N 3.28Å; D383-S385 PolarHBondContact O-N 3.21Å
384D89.3Confident93.1Very high100 Ų10097.3 Ų97.354%0.53553%0.534SS..THydrogen-bonded Turntrans5739.1179.7-147.717.3000113.7Y380 G381Y380-D384 WeakPolarHBondContact CB-OD1 3.33Å; Y380-D384 CarbonylContact O-C 3.56Å; Y380-D384 VanDerWaalsContact O-CA 3.3Å; Y380-D384 WeakPolarHBondContact O-CA 3.47Å; G381-D384 PolarHBondContact O-N 3.45Å
385S91.1Very high93.1Very high91 Ų9194.7 Ų94.764%0.63653%0.528SS*.  trans-106.2-0.6-173.2590000113.8Y380 D383Y380-S385 PolarHBondContact O-N 3.2Å; Y380-S385 VanDerWaalsContact O-N 3.09Å; D383-S385 VanDerWaalsContact C-N 3.28Å; D383-S385 PolarHBondContact O-N 3.21Å
386K94.4Very high93.2Very high147 Ų14798.5 Ų98.564%0.63954%0.536SS*.  trans-128.5168.1-179.8-61.8178.8-174.1170.50109Y380Y380-K386 VanDerWaalsContact CA-O 3.27Å; Y380-K386 WeakPolarHBondContact CA-O 3.16Å; Y380-K386 WeakPolarHBondContact CD1-O 3.41Å; Y380-K386 PolarHBondContact O-N 2.87Å
387S95.3Very high93.3Very high44 Ų4499.5 Ų99.531%0.30852%0.516SS..  trans-143.8144.1170.2170.30000109.1D261 F389D261-S387 WeakPolarHBondContact OD1-CB 3.34Å; D261-S387 PolarHBondContact OD1-OG 3.17Å; D261-S387 PolarHBondContact OD2-OG 3.45Å; D261-S387 VanDerWaalsContact OD2-OG 3.05Å; S387-F389 PolarHBondContact O-N 2.93Å; S387-F389 PolarHBondContact OG-N 3.16Å; S387-F389 PolarHBondContact OG-O 3.18Å
388P95.2Very high93.4Very high56 Ų5695.3 Ų95.336%0.36451%0.505SS..SBendtrans-68.9-12.3168.127.5-29.8000112.6P379 Y380P379-P388 HydrophobicContact CB-CB 3.84Å; P379-P388 HydrophobicContact CB-CG 3.86Å; P379-P388 HydrophobicContact CG-CG 4.13Å; Y380-P388 HydrophobicContact CE2-CG 4.11Å
389F96.8Very high93.4Very high29 Ų29101.1 Ų101.113%0.12752%0.523CS..  trans-106.7155.4-178.1-55.5-64.8000111.5D261 W362 L363 L369 Y380 S387 V391D261-F389 HydrophobicContact CB-CB 4.01Å; D261-F389 HydrophobicContact CB-CD2 3.84Å; D261-F389 HydrophobicContact CB-CG 4.26Å; D261-F389 WeakPolarHBondContact OD2-CD2 3.23Å; W362-F389 WeakPolarHBondContact O-CD1 3.4Å; L363-F389 HydrophobicContact CB-CE1 4.28Å; L363-F389 HydrophobicContact CD2-CD1 3.51Å; L363-F389 HydrophobicContact CD2-CD2 4.13Å; L363-F389 HydrophobicContact CD2-CE1 3.57Å; L363-F389 HydrophobicContact CD2-CE2 4.17Å; L363-F389 HydrophobicContact CD2-CG 3.8Å; L363-F389 HydrophobicContact CD2-CZ 3.91Å; L369-F389 HydrophobicContact CD2-CE1 4.15Å; L369-F389 HydrophobicContact CD2-CZ 3.85Å; Y380-F389 WeakPolarHBondContact OH-CE2 3.22Å; S387-F389 PolarHBondContact O-N 2.93Å; S387-F389 PolarHBondContact OG-N 3.16Å; S387-F389 PolarHBondContact OG-O 3.18Å; F389-V391 HydrophobicContact CD1-CG2 4.17Å; F389-V391 HydrophobicContact CE1-CG2 4.4Å
390P96.1Very high93.4Very high90 Ų90101.8 Ų101.858%0.58453%0.532SS*.SBendcis-77.1143.3-4.731.6-35.2000113W362 Q392W362-P390 HydrophobicContact CB-CB 3.72Å; P390-Q392 PolarHBondContact O-N 3.23Å
391V95.4Very high93.3Very high69 Ų69105.5 Ų105.542%0.41855%0.551SS.*PPolyproline II helixtrans-63.3120.3167.7179.70000108.9W362 F389W362-V391 WeakPolarHBondContact O-CB 3.25Å; W362-V391 WeakPolarHBondContact O-CG2 3.46Å; W362-V391 PolarHBondContact O-N 3.22Å; F389-V391 HydrophobicContact CD1-CG2 4.17Å; F389-V391 HydrophobicContact CE1-CG2 4.4Å
392Q93.6Very high93.2Very high155 Ų155110.1 Ų110.172%0.72457%0.572SS**PPolyproline II helixtrans-78140-179.8-65.6-170.94.600111P390P390-Q392 PolarHBondContact O-N 3.23Å
393P92.9Very high93.4Very high71 Ų71104.7 Ų104.746%0.46155%0.552SS.*PPolyproline II helixtrans-63.4143.7173.427.6-34.5000110.3V395P393-V395 PolarHBondContact O-N 3.12Å; P393-V395 VanDerWaalsContact O-N 3.12Å
394Q91.9Very high93.7Very high203 Ų20399.1 Ų99.195%0.94952%0.524SS*.SBendtrans-55.4-33.8179.1-67.2-172.7-10.200113
395V94Very high94Very high103 Ų10398.5 Ų98.562%0.62452%0.523SS*.SBendtrans-114.5123178.1-175.30000110P393 R397P393-V395 PolarHBondContact O-N 3.12Å; P393-V395 VanDerWaalsContact O-N 3.12Å; V395-R397 PolarHBondContact O-NH1 2.81Å
396K93.8Very high94.3Very high129 Ų12995.9 Ų95.956%0.56150%0.5SS*.  trans-63.2140.8175.6-64.9-173.2179.8-173.30110.6Q401K396-Q401 HydrophobicContact CB-CB 4.12Å
397R93.6Very high94.4Very high129 Ų12996.4 Ų96.449%0.48751%0.508SS..  trans-74160.3174.1-58.1-60-173.4-102.94110.7V395 Y399 A400 Q401V395-R397 PolarHBondContact O-NH1 2.81Å; R397-Y399 HydrophobicContact CB-CD1 3.92Å; R397-Y399 HydrophobicContact CB-CE1 3.41Å; R397-Y399 VanDerWaalsContact CB-CE1 3.41Å; R397-Y399 HydrophobicContact CB-CE2 4.11Å; R397-Y399 HydrophobicContact CB-CG 4.46Å; R397-Y399 HydrophobicContact CG-CE1 4Å; R397-Y399 PolarHBondContact O-N 3.31Å; R397-Y399 VanDerWaalsContact O-N 3.16Å; R397-A400 CarbonylContact O-C 3.43Å; R397-A400 PolarHBondContact O-N 3.38Å; R397-Q401 PolarHBondContact O-N 3.49Å
398S95.1Very high94.4Very high78 Ų78102 Ų10255%0.54553%0.526SS..G310 helixtrans-57.1-32.1-176.457.60000114.2V403S398-V403 WeakPolarHBondContact O-CG2 3.44Å
399Y94.4Very high94.4Very high200 Ų200102.6 Ų102.678%0.78454%0.536SS*.G310 helixtrans-81.6-1717755.1-97.4000113.6R397R397-Y399 HydrophobicContact CB-CD1 3.92Å; R397-Y399 HydrophobicContact CB-CE1 3.41Å; R397-Y399 VanDerWaalsContact CB-CE1 3.41Å; R397-Y399 HydrophobicContact CB-CE2 4.11Å; R397-Y399 HydrophobicContact CB-CG 4.46Å; R397-Y399 HydrophobicContact CG-CE1 4Å; R397-Y399 PolarHBondContact O-N 3.31Å; R397-Y399 VanDerWaalsContact O-N 3.16Å
400A92.7Very high94.4Very high60 Ų60104.5 Ų104.550%0.49655%0.553SS.*G310 helixtrans-101.36.6177.700000112.4R397R397-A400 CarbonylContact O-C 3.43Å; R397-A400 PolarHBondContact O-N 3.38Å
401Q92.3Very high94.3Very high111 Ų111101.3 Ų101.352%0.51954%0.537SS..SBendtrans-137156.3177.4-175.9169.6-6.100109.6K396 R397 V403K396-Q401 HydrophobicContact CB-CB 4.12Å; R397-Q401 PolarHBondContact O-N 3.49Å; Q401-V403 PolarHBondContact O-N 2.97Å; Q401-V403 VanDerWaalsContact O-N 3.17Å
402N89.3Confident94.4Very high109 Ų10999.8 Ų99.858%0.58353%0.526SS*.  trans-70.6113.4172.4-65.9-55.2000109.7
403V94.1Very high94.5Very high80 Ų8097.9 Ų97.949%0.48552%0.517SS..  trans-117.6150.7171-62.60000109.8S398 Q401 V405S398-V403 WeakPolarHBondContact O-CG2 3.44Å; Q401-V403 PolarHBondContact O-N 2.97Å; Q401-V403 VanDerWaalsContact O-N 3.17Å; V403-V405 HydrophobicContact CG2-CG2 4.45Å
404T95.8Very high94.7Very high28 Ų2898.6 Ų98.617%0.17252%0.52CS..  trans-110.9124.6179.1-60.80000109.8W406 A443 F447T404-W406 HydrophobicContact CG2-CD2 3.82Å; T404-W406 HydrophobicContact CG2-CE3 4.5Å; T404-W406 HydrophobicContact CG2-CG 4.24Å; T404-W406 HydrophobicContact CG2-CH2 4.15Å; T404-W406 HydrophobicContact CG2-CZ2 3.42Å; T404-W406 VanDerWaalsContact CG2-CZ2 3.42Å; T404-W406 VanDerWaalsContact CG2-NE1 3.28Å; T404-A443 HydrophobicContact CG2-CB 3.56Å; T404-F447 HydrophobicContact CG2-CE2 4.21Å
405V96.1Very high95Very high86 Ų8690 Ų9052%0.52148%0.48SS..  trans-134.4108.6-177.2-175.80000109.9V403 I407V403-V405 HydrophobicContact CG2-CG2 4.45Å; V405-I407 HydrophobicContact CG1-CD1 4.37Å; V405-I407 HydrophobicContact CG1-CG1 4.34Å
406W97.1Very high95.1Very high37 Ų3785.9 Ų85.914%0.1446%0.456CS..  trans-115.824.4-177.5-59.9-25.7000113.9T404 K408 L412 D415 L440 A443 A444 F447 F449 L452T404-W406 HydrophobicContact CG2-CD2 3.82Å; T404-W406 HydrophobicContact CG2-CE3 4.5Å; T404-W406 HydrophobicContact CG2-CG 4.24Å; T404-W406 HydrophobicContact CG2-CH2 4.15Å; T404-W406 HydrophobicContact CG2-CZ2 3.42Å; T404-W406 VanDerWaalsContact CG2-CZ2 3.42Å; T404-W406 VanDerWaalsContact CG2-NE1 3.28Å; W406-K408 VanDerWaalsContact C-N 3.26Å; W406-K408 PolarHBondContact O-N 2.99Å; W406-L412 HydrophobicContact CB-CB 4.31Å; W406-L412 HydrophobicContact CD2-CD1 3.8Å; W406-L412 HydrophobicContact CE3-CD1 4.29Å; W406-L412 HydrophobicContact CG-CB 4.07Å; W406-L412 HydrophobicContact CG-CD1 4.02Å; W406-L412 HydrophobicContact CZ2-CD1 4.26Å; W406-D415 PolarHBondContact NE1-OD2 3.35Å; W406-L440 HydrophobicContact CH2-CG 3.87Å; W406-L440 HydrophobicContact CZ2-CB 4.44Å; W406-L440 HydrophobicContact CZ2-CD1 4.35Å; W406-L440 HydrophobicContact CZ2-CG 3.88Å; W406-A443 HydrophobicContact CH2-CB 3.61Å; W406-A443 HydrophobicContact CZ2-CB 4.05Å; W406-A443 HydrophobicContact CZ3-CB 4.09Å; W406-A444 HydrophobicContact CH2-CB 4.2Å; W406-A444 HydrophobicContact CZ3-CB 4.05Å; W406-F447 HydrophobicContact CD2-CD2 4.49Å; W406-F447 HydrophobicContact CD2-CE2 4.29Å; W406-F447 AromaticContact CE3-CD2 3.64Å; W406-F447 HydrophobicContact CE3-CD2 3.64Å; W406-F447 AromaticContact CE3-CE2 3.87Å; W406-F447 HydrophobicContact CE3-CE2 3.87Å; W406-F447 AromaticContact CZ3-CD2 3.86Å; W406-F447 HydrophobicContact CZ3-CD2 3.86Å; W406-F447 HydrophobicContact CZ3-CE2 4.24Å; W406-F449 HydrophobicContact CE3-CD2 4.29Å; W406-F449 HydrophobicContact CZ3-CD2 4.43Å; W406-L452 HydrophobicContact CD2-CD2 4.48Å; W406-L452 HydrophobicContact CE3-CD2 3.88Å; W406-L452 HydrophobicContact CH2-CD2 3.46Å; W406-L452 VanDerWaalsContact CH2-CD2 3.46Å; W406-L452 HydrophobicContact CZ2-CD2 4.09Å; W406-L452 HydrophobicContact CZ3-CD2 3.34Å
407I96.3Very high95.3Very high158 Ų15884.3 Ų84.381%0.8145%0.45SS*.SBendtrans-63.5-35.6174-61173.4000110.8V405V405-I407 HydrophobicContact CG1-CD1 4.37Å; V405-I407 HydrophobicContact CG1-CG1 4.34Å
408K96.4Very high95.4Very high161 Ų16182.2 Ų82.270%0.745%0.445SS*.SBendtrans-105.2138.2175.4-63.3-176.4-179.1-179.60110.1W406 S410 G411W406-K408 VanDerWaalsContact C-N 3.26Å; W406-K408 PolarHBondContact O-N 2.99Å; K408-S410 PolarHBondContact O-N 2.85Å; K408-S410 VanDerWaalsContact O-N 3.14Å; K408-G411 PolarHBondContact O-N 3.49Å
409A94.9Very high95.5Very high69 Ų6978.6 Ų78.657%0.5742%0.419SS*.Hα-helixtrans-55-34.5179.600000113.4G411 L412 Q413A409-G411 VanDerWaalsContact C-N 3.33Å; A409-G411 PolarHBondContact O-N 2.96Å; A409-L412 PolarHBondContact O-N 2.93Å; A409-Q413 WeakPolarHBondContact O-CB 3.39Å; A409-Q413 VanDerWaalsContact O-CG 3.28Å; A409-Q413 WeakPolarHBondContact O-CG 3.37Å; A409-Q413 PolarHBondContact O-N 3.47Å
410S96.2Very high95.6Very high69 Ų6970 Ų7048%0.48339%0.387SS..Hα-helixtrans-62.2-35.5178.154.60000113.6K408 T414K408-S410 PolarHBondContact O-N 2.85Å; K408-S410 VanDerWaalsContact O-N 3.14Å; S410-T414 WeakPolarHBondContact O-CB 3.27Å; S410-T414 PolarHBondContact O-N 2.89Å; S410-T414 PolarHBondContact O-OG1 3.45Å
411G95.4Very high95.8Very high23 Ų2374.6 Ų74.624%0.23739%0.391CS..Hα-helixtrans-65-47.5177.300000111.2K408 A409 T414 D415K408-G411 PolarHBondContact O-N 3.49Å; A409-G411 VanDerWaalsContact C-N 3.33Å; A409-G411 PolarHBondContact O-N 2.96Å; G411-T414 PolarHBondContact O-N 3.19Å; G411-D415 PolarHBondContact O-N 2.9Å
412L96.5Very high96Very high37 Ų3770.6 Ų70.619%0.19437%0.373CS..Hα-helixtrans-60.8-47.4175.5177.760.3000112.1W406 A409 T414 D415 V416 F449 L452W406-L412 HydrophobicContact CB-CB 4.31Å; W406-L412 HydrophobicContact CD2-CD1 3.8Å; W406-L412 HydrophobicContact CE3-CD1 4.29Å; W406-L412 HydrophobicContact CG-CB 4.07Å; W406-L412 HydrophobicContact CG-CD1 4.02Å; W406-L412 HydrophobicContact CZ2-CD1 4.26Å; A409-L412 PolarHBondContact O-N 2.93Å; L412-T414 VanDerWaalsContact C-N 3.27Å; L412-T414 PolarHBondContact O-N 3.32Å; L412-D415 PolarHBondContact O-N 3.35Å; L412-V416 HydrophobicContact CD1-CG2 4.28Å; L412-V416 WeakPolarHBondContact O-CG2 3.45Å; L412-V416 PolarHBondContact O-N 3.05Å; L412-F449 HydrophobicContact CD2-CE2 4.09Å; L412-L452 HydrophobicContact CD1-CD1 3.74Å; L412-L452 HydrophobicContact CD1-CD2 3.49Å; L412-L452 VanDerWaalsContact CD1-CD2 3.49Å; L412-L452 HydrophobicContact CD1-CG 4.26Å; L412-L452 HydrophobicContact CD2-CD1 4.24Å; L412-L452 HydrophobicContact CG-CD1 4.41Å
413Q96.4Very high96.3Very high115 Ų11565.4 Ų65.454%0.53735%0.346SS..Hα-helixtrans-59.1-39.4177.9-73.6172.8-2.300111.9A409 V416 Q417A409-Q413 WeakPolarHBondContact O-CB 3.39Å; A409-Q413 VanDerWaalsContact O-CG 3.28Å; A409-Q413 WeakPolarHBondContact O-CG 3.37Å; A409-Q413 PolarHBondContact O-N 3.47Å; Q413-V416 PolarHBondContact O-N 3.28Å; Q413-Q417 VanDerWaalsContact O-CB 3.26Å; Q413-Q417 WeakPolarHBondContact O-CB 3.46Å; Q413-Q417 WeakPolarHBondContact O-CG 3.45Å; Q413-Q417 PolarHBondContact O-N 3.45Å
414T96.9Very high96.3Very high85 Ų8568.6 Ų68.652%0.52135%0.349SS..Hα-helixtrans-63-44.8178.9-60.10000111.5S410 G411 L412 Q417 K418S410-T414 WeakPolarHBondContact O-CB 3.27Å; S410-T414 PolarHBondContact O-N 2.89Å; S410-T414 PolarHBondContact O-OG1 3.45Å; G411-T414 PolarHBondContact O-N 3.19Å; L412-T414 VanDerWaalsContact C-N 3.27Å; L412-T414 PolarHBondContact O-N 3.32Å; T414-Q417 PolarHBondContact O-N 3.07Å; T414-K418 WeakPolarHBondContact O-CB 3.38Å; T414-K418 PolarHBondContact O-N 3Å
415D97Very high96.2Very high22 Ų2273.1 Ų73.112%0.11837%0.367CS..Hα-helixtrans-64-46.8178.4-80.1-15.4000112W406 G411 L412 K418 I419 R439W406-D415 PolarHBondContact NE1-OD2 3.35Å; G411-D415 PolarHBondContact O-N 2.9Å; L412-D415 PolarHBondContact O-N 3.35Å; D415-K418 PolarHBondContact O-N 2.67Å; D415-I419 WeakPolarHBondContact O-CG1 3.45Å; D415-I419 PolarHBondContact O-N 3.24Å; D415-I419 VanDerWaalsContact O-N 3.14Å; D415-R439 IonicContact OD1-CZ 3.16Å; D415-R439 IonicContact OD1-NH2 3.38Å; D415-R439 PolarHBondContact OD1-NH2 2.74Å; D415-R439 IonicContact OD2-NH2 3.21Å
416V97.4Very high96Very high18 Ų1869.6 Ų69.611%0.10935%0.345CS..Hα-helixtrans-62.5-46.2176.6175.80000110.5L412 Q413 K418 I419 L420 L440 L452 V456 L459L412-V416 HydrophobicContact CD1-CG2 4.28Å; L412-V416 WeakPolarHBondContact O-CG2 3.45Å; L412-V416 PolarHBondContact O-N 3.05Å; Q413-V416 PolarHBondContact O-N 3.28Å; V416-K418 VanDerWaalsContact C-N 3.28Å; V416-K418 PolarHBondContact O-N 3.33Å; V416-I419 WeakPolarHBondContact O-CB 3.36Å; V416-I419 PolarHBondContact O-N 3.14Å; V416-I419 VanDerWaalsContact O-N 3.14Å; V416-L420 HydrophobicContact CG1-CD1 4.26Å; V416-L420 HydrophobicContact CG1-CG 4.3Å; V416-L420 WeakPolarHBondContact O-CG 3.48Å; V416-L420 PolarHBondContact O-N 3.21Å; V416-L440 HydrophobicContact CG2-CD1 3.89Å; V416-L452 HydrophobicContact CG2-CD1 4.48Å; V416-V456 HydrophobicContact CG2-CG2 3.94Å; V416-L459 HydrophobicContact CG1-CD1 3.84Å
417Q96.6Very high95.8Very high96 Ų9669.6 Ų69.645%0.44935%0.349SS..Hα-helixtrans-60.2-37.2177.4-77.8-176.36.200112.6Q413 T414 I419 L420 R421Q413-Q417 VanDerWaalsContact O-CB 3.26Å; Q413-Q417 WeakPolarHBondContact O-CB 3.46Å; Q413-Q417 WeakPolarHBondContact O-CG 3.45Å; Q413-Q417 PolarHBondContact O-N 3.45Å; T414-Q417 PolarHBondContact O-N 3.07Å; Q417-I419 VanDerWaalsContact C-N 3.35Å; Q417-L420 PolarHBondContact O-N 2.99Å; Q417-R421 WeakPolarHBondContact O-CB 3.17Å; Q417-R421 VanDerWaalsContact O-CG 3.29Å; Q417-R421 WeakPolarHBondContact O-CG 3.27Å; Q417-R421 PolarHBondContact O-N 2.91Å
418K96.7Very high95.6Very high84 Ų8469 Ų6937%0.36535%0.348SS..Hα-helixtrans-64.2-40.5176.5-171.6175.6173.6-156.80111.5T414 D415 V416 N422 E436T414-K418 WeakPolarHBondContact O-CB 3.38Å; T414-K418 PolarHBondContact O-N 3Å; D415-K418 PolarHBondContact O-N 2.67Å; V416-K418 VanDerWaalsContact C-N 3.28Å; V416-K418 PolarHBondContact O-N 3.33Å; K418-N422 PolarHBondContact O-N 3.3Å; K418-N422 PolarHBondContact O-ND2 3.07Å; K418-E436 HydrophobicContact CD-CG 4.41Å; K418-E436 VanDerWaalsContact CD-OE2 3.26Å; K418-E436 WeakPolarHBondContact CD-OE2 3.41Å; K418-E436 VanDerWaalsContact CE-CD 3.43Å; K418-E436 VanDerWaalsContact CE-OE2 3.23Å; K418-E436 WeakPolarHBondContact CE-OE2 3.4Å; K418-E436 IonicContact NZ-OE1 3.79Å; K418-E436 PolarHBondContact NZ-OE1 3.48Å; K418-E436 IonicContact NZ-OE2 2.76Å; K418-E436 PolarHBondContact NZ-OE2 3.25Å
419I97.6Very high95.6Very high2 Ų265.9 Ų65.91%0.0133%0.334CS..Hα-helixtrans-61.5-50172.6-66.7166.4000110.3D415 V416 Q417 R421 N422 A423 F433 E436 L437 L440 L460D415-I419 WeakPolarHBondContact O-CG1 3.45Å; D415-I419 PolarHBondContact O-N 3.24Å; D415-I419 VanDerWaalsContact O-N 3.14Å; V416-I419 WeakPolarHBondContact O-CB 3.36Å; V416-I419 PolarHBondContact O-N 3.14Å; V416-I419 VanDerWaalsContact O-N 3.14Å; Q417-I419 VanDerWaalsContact C-N 3.35Å; I419-R421 VanDerWaalsContact C-N 3.34Å; I419-R421 PolarHBondContact O-N 3.43Å; I419-N422 PolarHBondContact O-N 3.14Å; I419-N422 VanDerWaalsContact O-N 3.12Å; I419-A423 WeakPolarHBondContact O-CB 3.32Å; I419-A423 PolarHBondContact O-N 2.95Å; I419-F433 HydrophobicContact CG2-CD2 4.06Å; I419-F433 HydrophobicContact CG2-CE2 3.67Å; I419-E436 HydrophobicContact CG1-CB 3.79Å; I419-L437 HydrophobicContact CG2-CD1 4.21Å; I419-L440 HydrophobicContact CD1-CB 3.8Å; I419-L440 HydrophobicContact CD1-CD1 3.59Å; I419-L440 HydrophobicContact CD1-CG 4.27Å; I419-L460 HydrophobicContact CG2-CD2 4.29Å
420L96.9Very high95.5Very high19 Ų1963.9 Ų63.910%0.09932%0.315CS..Hα-helixtrans-62.7-37.1-178.9-62.2-174.7000113V416 Q417 N422 A423 R424 L459 L460 E463V416-L420 HydrophobicContact CG1-CD1 4.26Å; V416-L420 HydrophobicContact CG1-CG 4.3Å; V416-L420 WeakPolarHBondContact O-CG 3.48Å; V416-L420 PolarHBondContact O-N 3.21Å; Q417-L420 PolarHBondContact O-N 2.99Å; L420-N422 VanDerWaalsContact C-N 3.32Å; L420-N422 PolarHBondContact O-N 3.18Å; L420-A423 WeakPolarHBondContact O-CB 3.3Å; L420-A423 PolarHBondContact O-N 3.43Å; L420-R424 WeakPolarHBondContact O-CG 3.21Å; L420-R424 PolarHBondContact O-N 3.48Å; L420-L459 HydrophobicContact CD2-CB 4.34Å; L420-L460 HydrophobicContact CD2-CD2 4.17Å; L420-E463 HydrophobicContact CD2-CG 3.99Å
421R95.9Very high95.5Very high158 Ų15868.6 Ų68.660%0.59633%0.33SS*.Hα-helixtrans-63.5-37.1174.9-74.4177.3-164.9-168.27.1112.4Q417 I419Q417-R421 WeakPolarHBondContact O-CB 3.17Å; Q417-R421 VanDerWaalsContact O-CG 3.29Å; Q417-R421 WeakPolarHBondContact O-CG 3.27Å; Q417-R421 PolarHBondContact O-N 2.91Å; I419-R421 VanDerWaalsContact C-N 3.34Å; I419-R421 PolarHBondContact O-N 3.43Å
422N96.1Very high95.5Very high26 Ų2670.1 Ų70.114%0.13933%0.334CS..Hα-helixtrans-76.7-36177.2-68.9-30.8000111.7K418 I419 L420 R424 K425 K429 F433K418-N422 PolarHBondContact O-N 3.3Å; K418-N422 PolarHBondContact O-ND2 3.07Å; I419-N422 PolarHBondContact O-N 3.14Å; I419-N422 VanDerWaalsContact O-N 3.12Å; L420-N422 VanDerWaalsContact C-N 3.32Å; L420-N422 PolarHBondContact O-N 3.18Å; N422-R424 VanDerWaalsContact C-N 3.3Å; N422-R424 PolarHBondContact O-N 2.99Å; N422-K425 PolarHBondContact O-N 3.22Å; N422-K429 HydrophobicContact CB-CB 4.4Å; N422-F433 HydrophobicContact CB-CB 3.96Å; N422-F433 HydrophobicContact CB-CD2 4.4Å
423A95.5Very high95.5Very high1 Ų168.3 Ų68.31%0.00833%0.325CS..Hα-helixtrans-55-42.3174.500000112.7I419 L420 K425 L426 F433 L460 L479I419-A423 WeakPolarHBondContact O-CB 3.32Å; I419-A423 PolarHBondContact O-N 2.95Å; L420-A423 WeakPolarHBondContact O-CB 3.3Å; L420-A423 PolarHBondContact O-N 3.43Å; A423-K425 PolarHBondContact O-N 3.3Å; A423-L426 WeakPolarHBondContact O-CD1 3.42Å; A423-L426 WeakPolarHBondContact O-CG 3.37Å; A423-L426 PolarHBondContact O-N 2.66Å; A423-F433 HydrophobicContact CB-CD2 4.05Å; A423-F433 HydrophobicContact CB-CE2 3.8Å; A423-L460 HydrophobicContact CB-CD2 4.24Å; A423-L479 HydrophobicContact CB-CD2 3.52Å
424R93.8Very high95.6Very high147 Ų14763.3 Ų63.356%0.55530%0.301SS*.THydrogen-bonded Turntrans-71.5-6.8178.2-65.5176.2-167.4149.25.8114.7L420 N422 E463L420-R424 WeakPolarHBondContact O-CG 3.21Å; L420-R424 PolarHBondContact O-N 3.48Å; N422-R424 VanDerWaalsContact C-N 3.3Å; N422-R424 PolarHBondContact O-N 2.99Å; R424-E463 IonicContact CZ-OE1 3.61Å; R424-E463 IonicContact CZ-OE2 3.46Å; R424-E463 IonicContact NE-OE1 2.67Å; R424-E463 IonicContact NE-OE2 3.74Å; R424-E463 PolarHBondContact NE-OE2 3.3Å; R424-E463 IonicContact NH2-OE1 2.82Å; R424-E463 PolarHBondContact NH2-OE1 3.41Å; R424-E463 IonicContact NH2-OE2 3.31Å; R424-E463 PolarHBondContact NH2-OE2 2.94Å
425K94.3Very high95.6Very high123 Ų12365.6 Ų65.654%0.53530%0.304SS..THydrogen-bonded Turntrans-116.426.1-177.9-62.4-176.3178.9-171.10111.7N422 A423 D428 K429N422-K425 PolarHBondContact O-N 3.22Å; A423-K425 PolarHBondContact O-N 3.3Å; K425-D428 WeakPolarHBondContact O-CB 3.33Å; K425-D428 PolarHBondContact O-N 2.75Å; K425-K429 HydrophobicContact CB-CB 4.1Å; K425-K429 HydrophobicContact CB-CG 3.86Å; K425-K429 HydrophobicContact CD-CG 4.28Å; K425-K429 PolarHBondContact O-N 3.35Å
426L92.8Very high95.6Very high12 Ų1265.3 Ų65.36%0.06330%0.302CS..THydrogen-bonded Turntrans-80.3141.9173.9-66.9171.8000109.7A423 T430 F433 A475 Q478 L479A423-L426 WeakPolarHBondContact O-CD1 3.42Å; A423-L426 WeakPolarHBondContact O-CG 3.37Å; A423-L426 PolarHBondContact O-N 2.66Å; L426-T430 VanDerWaalsContact CD2-CA 3.48Å; L426-T430 WeakPolarHBondContact CD2-OG1 3.26Å; L426-F433 HydrophobicContact CD1-CD1 4.19Å; L426-F433 HydrophobicContact CD1-CE1 4.33Å; L426-F433 HydrophobicContact CD1-CG 4.48Å; L426-F433 HydrophobicContact CD2-CB 4.09Å; L426-F433 HydrophobicContact CD2-CD1 4.22Å; L426-F433 HydrophobicContact CD2-CG 4.29Å; L426-A475 HydrophobicContact CB-CB 3.81Å; L426-Q478 HydrophobicContact CD1-CB 3.99Å; L426-L479 HydrophobicContact CD1-CD2 3.78Å; L426-L479 HydrophobicContact CD1-CG 3.94Å
427P92.1Very high95.6Very high37 Ų3764.5 Ų64.524%0.2430%0.297CS..THydrogen-bonded Turncis-83.5-10.15.433-38.1000115.8K429 T430 H472 D474P427-K429 PolarHBondContact O-N 3.29Å; P427-T430 WeakPolarHBondContact CA-OG1 3.28Å; P427-T430 WeakPolarHBondContact O-CB 3.44Å; P427-T430 PolarHBondContact O-N 2.79Å; P427-T430 PolarHBondContact O-OG1 3.05Å; P427-H472 VanDerWaalsContact CD-CB 3.48Å; P427-H472 HydrophobicContact CG-CB 4.36Å; P427-D474 HydrophobicContact CB-CB 4.38Å; P427-D474 WeakPolarHBondContact CB-OD2 3.48Å
428D92.7Very high95.6Very high145 Ų14560.6 Ų60.678%0.77528%0.279SS*.THydrogen-bonded Turntrans-55.1-31.2-172.1-57.8-19.2000114.6K425K425-D428 WeakPolarHBondContact O-CB 3.33Å; K425-D428 PolarHBondContact O-N 2.75Å
429K95Very high95.6Very high96 Ų9658.9 Ų58.942%0.41727%0.27SS..THydrogen-bonded Turntrans-110.821.9-178.5-67.4-60.4-178-168.90114.5N422 K425 P427 Q431 T432 F433N422-K429 HydrophobicContact CB-CB 4.4Å; K425-K429 HydrophobicContact CB-CB 4.1Å; K425-K429 HydrophobicContact CB-CG 3.86Å; K425-K429 HydrophobicContact CD-CG 4.28Å; K425-K429 PolarHBondContact O-N 3.35Å; P427-K429 PolarHBondContact O-N 3.29Å; K429-Q431 PolarHBondContact O-N 3.3Å; K429-T432 WeakPolarHBondContact CB-OG1 3.39Å; K429-T432 PolarHBondContact O-N 3.4Å; K429-T432 PolarHBondContact O-OG1 2.99Å; K429-F433 WeakPolarHBondContact O-CB 3.44Å; K429-F433 PolarHBondContact O-N 2.97Å
430T94.1Very high95.6Very high27 Ų2758.9 Ų58.917%0.16627%0.27CS..Hα-helixtrans-50.4-53.2-178.2-62.70000113L426 P427 T432 F433 Y434 P505L426-T430 VanDerWaalsContact CD2-CA 3.48Å; L426-T430 WeakPolarHBondContact CD2-OG1 3.26Å; P427-T430 WeakPolarHBondContact CA-OG1 3.28Å; P427-T430 WeakPolarHBondContact O-CB 3.44Å; P427-T430 PolarHBondContact O-N 2.79Å; P427-T430 PolarHBondContact O-OG1 3.05Å; T430-T432 PolarHBondContact O-N 2.89Å; T430-F433 PolarHBondContact O-N 3.42Å; T430-Y434 HydrophobicContact CG2-CD2 3.85Å; T430-Y434 HydrophobicContact CG2-CE2 3.93Å; T430-Y434 WeakPolarHBondContact O-CD2 3.42Å; T430-Y434 PolarHBondContact O-N 2.87Å; T430-P505 HydrophobicContact CG2-CB 3.88Å; T430-P505 HydrophobicContact CG2-CG 3.87Å
431Q94.9Very high95.5Very high168 Ų16858 Ų5879%0.78527%0.265SS*.Hα-helixtrans-60.6-44-177.6-168-172.524.400112.5K429 K435K429-Q431 PolarHBondContact O-N 3.3Å; Q431-K435 WeakPolarHBondContact O-CB 3.46Å; Q431-K435 PolarHBondContact O-N 3.44Å
432T95.8Very high95.5Very high54 Ų5452.9 Ų52.933%0.33125%0.248SC..Hα-helixtrans-70-36.7178.347.10000112.4K429 T430 K435 E436K429-T432 WeakPolarHBondContact CB-OG1 3.39Å; K429-T432 PolarHBondContact O-N 3.4Å; K429-T432 PolarHBondContact O-OG1 2.99Å; T430-T432 PolarHBondContact O-N 2.89Å; T432-K435 PolarHBondContact O-N 2.85Å; T432-E436 VanDerWaalsContact O-CG 3.25Å; T432-E436 WeakPolarHBondContact O-CG 3.46Å; T432-E436 PolarHBondContact O-N 3.14Å; T432-E436 VanDerWaalsContact O-N 3.09Å
433F97.7Very high95.6Very high0 Ų052.1 Ų52.10%024%0.244CC..Hα-helixtrans-59.4-54.6175.6169.1-108.9000110.9I419 N422 A423 L426 K429 T430 K435 E436 L437 L460 L479 A482I419-F433 HydrophobicContact CG2-CD2 4.06Å; I419-F433 HydrophobicContact CG2-CE2 3.67Å; N422-F433 HydrophobicContact CB-CB 3.96Å; N422-F433 HydrophobicContact CB-CD2 4.4Å; A423-F433 HydrophobicContact CB-CD2 4.05Å; A423-F433 HydrophobicContact CB-CE2 3.8Å; L426-F433 HydrophobicContact CD1-CD1 4.19Å; L426-F433 HydrophobicContact CD1-CE1 4.33Å; L426-F433 HydrophobicContact CD1-CG 4.48Å; L426-F433 HydrophobicContact CD2-CB 4.09Å; L426-F433 HydrophobicContact CD2-CD1 4.22Å; L426-F433 HydrophobicContact CD2-CG 4.29Å; K429-F433 WeakPolarHBondContact O-CB 3.44Å; K429-F433 PolarHBondContact O-N 2.97Å; T430-F433 PolarHBondContact O-N 3.42Å; F433-K435 VanDerWaalsContact C-N 3.33Å; F433-K435 PolarHBondContact O-N 3.31Å; F433-E436 PolarHBondContact O-N 2.97Å; F433-L437 HydrophobicContact CE1-CD2 4.33Å; F433-L437 HydrophobicContact CZ-CD2 4.3Å; F433-L437 WeakPolarHBondContact O-CB 3.49Å; F433-L437 PolarHBondContact O-N 3.49Å; F433-L460 HydrophobicContact CE2-CD2 3.87Å; F433-L460 HydrophobicContact CZ-CD1 4.17Å; F433-L460 HydrophobicContact CZ-CD2 4.04Å; F433-L479 HydrophobicContact CE2-CD2 4.34Å; F433-L479 HydrophobicContact CZ-CD2 4.02Å; F433-A482 HydrophobicContact CE1-CB 3.76Å; F433-A482 HydrophobicContact CZ-CB 3.81Å
434Y97.4Very high95.6Very high9 Ų952 Ų524%0.03524%0.244CC..Hα-helixtrans-67-30.7-179.7-79.7-83.8000113.3T430 L437 N438 Q478 H481 A482 I503 P505T430-Y434 HydrophobicContact CG2-CD2 3.85Å; T430-Y434 HydrophobicContact CG2-CE2 3.93Å; T430-Y434 WeakPolarHBondContact O-CD2 3.42Å; T430-Y434 PolarHBondContact O-N 2.87Å; Y434-L437 HydrophobicContact CD1-CD2 4.17Å; Y434-L437 HydrophobicContact CE1-CD2 4.37Å; Y434-N438 WeakPolarHBondContact O-CB 3.27Å; Y434-N438 PolarHBondContact O-N 2.67Å; Y434-N438 PolarHBondContact O-ND2 3.07Å; Y434-Q478 HydrophobicContact CE2-CB 4.47Å; Y434-Q478 PolarHBondContact OH-O 3.34Å; Y434-Q478 PolarHBondContact OH-OE1 2.99Å; Y434-H481 PolarHBondContact OH-CD2 2.7Å; Y434-A482 HydrophobicContact CE1-CB 4.25Å; Y434-I503 HydrophobicContact CD1-CB 4.39Å; Y434-I503 HydrophobicContact CD1-CG2 3.99Å; Y434-I503 WeakPolarHBondContact CD1-O 3.39Å; Y434-I503 HydrophobicContact CE1-CG2 3.71Å; Y434-P505 HydrophobicContact CD2-CB 4.02Å; Y434-P505 HydrophobicContact CD2-CG 3.6Å; Y434-P505 HydrophobicContact CE2-CB 3.68Å; Y434-P505 HydrophobicContact CE2-CG 3.82Å; Y434-P505 HydrophobicContact CG-CG 4Å
435K96.9Very high95.6Very high134 Ų13446 Ų4658%0.58322%0.223SC*.Hα-helixtrans-63.2-47.2173.2-178.8175.3177.7176.40111.8Q431 T432 F433 R439Q431-K435 WeakPolarHBondContact O-CB 3.46Å; Q431-K435 PolarHBondContact O-N 3.44Å; T432-K435 PolarHBondContact O-N 2.85Å; F433-K435 VanDerWaalsContact C-N 3.33Å; F433-K435 PolarHBondContact O-N 3.31Å; K435-R439 WeakPolarHBondContact O-CB 3.38Å; K435-R439 PolarHBondContact O-N 3.19Å
436E97.4Very high95.6Very high16 Ų1643.4 Ų43.48%0.07522%0.224CC..Hα-helixtrans-71-36.8179.2-61.2-66.5138.100111.7K418 I419 T432 F433 R439 L440K418-E436 HydrophobicContact CD-CG 4.41Å; K418-E436 VanDerWaalsContact CD-OE2 3.26Å; K418-E436 WeakPolarHBondContact CD-OE2 3.41Å; K418-E436 VanDerWaalsContact CE-CD 3.43Å; K418-E436 VanDerWaalsContact CE-OE2 3.23Å; K418-E436 WeakPolarHBondContact CE-OE2 3.4Å; K418-E436 IonicContact NZ-OE1 3.79Å; K418-E436 PolarHBondContact NZ-OE1 3.48Å; K418-E436 IonicContact NZ-OE2 2.76Å; K418-E436 PolarHBondContact NZ-OE2 3.25Å; I419-E436 HydrophobicContact CG1-CB 3.79Å; T432-E436 VanDerWaalsContact O-CG 3.25Å; T432-E436 WeakPolarHBondContact O-CG 3.46Å; T432-E436 PolarHBondContact O-N 3.14Å; T432-E436 VanDerWaalsContact O-N 3.09Å; F433-E436 PolarHBondContact O-N 2.97Å; E436-R439 WeakPolarHBondContact O-CB 3.28Å; E436-R439 PolarHBondContact O-N 3.28Å; E436-R439 IonicContact OE1-NH1 2.73Å; E436-R439 IonicContact OE2-CZ 2.86Å; E436-R439 IonicContact OE2-NE 3.09Å; E436-R439 IonicContact OE2-NH1 2.64Å; E436-R439 PolarHBondContact OE2-NH1 3.04Å; E436-R439 IonicContact OE2-NH2 3.74Å; E436-R439 PolarHBondContact OE2-NH2 3.03Å; E436-L440 PolarHBondContact O-N 2.97Å
437L97.3Very high95.8Very high0 Ų048.6 Ų48.60%025%0.246CC..Hα-helixtrans-59.5-50.4174.4-169.270.8000111.9I419 F433 Y434 R439 L440 R441 L460 A482 L486 I503I419-L437 HydrophobicContact CG2-CD1 4.21Å; F433-L437 HydrophobicContact CE1-CD2 4.33Å; F433-L437 HydrophobicContact CZ-CD2 4.3Å; F433-L437 WeakPolarHBondContact O-CB 3.49Å; F433-L437 PolarHBondContact O-N 3.49Å; Y434-L437 HydrophobicContact CD1-CD2 4.17Å; Y434-L437 HydrophobicContact CE1-CD2 4.37Å; L437-R439 VanDerWaalsContact C-N 3.3Å; L437-R439 PolarHBondContact O-N 3.4Å; L437-L440 PolarHBondContact O-N 3.35Å; L437-R441 WeakPolarHBondContact O-CB 3.3Å; L437-R441 PolarHBondContact O-N 2.95Å; L437-L460 HydrophobicContact CD1-CD1 3.95Å; L437-A482 HydrophobicContact CD2-CB 3.66Å; L437-L486 HydrophobicContact CD1-CD1 3.48Å; L437-L486 VanDerWaalsContact CD1-CD1 3.48Å; L437-L486 HydrophobicContact CD1-CG 4.19Å; L437-L486 HydrophobicContact CG-CD1 4.3Å; L437-I503 HydrophobicContact CD2-CD1 3.98Å; L437-I503 HydrophobicContact CD2-CG2 4.49Å; L437-I503 HydrophobicContact CG-CD1 4.41Å
438N96.8Very high95.9Very high14 Ų1448.8 Ų48.88%0.07526%0.255CS..Hα-helixtrans-67.1-31.8177.9-80.4-64.4000112.4Y434 R441 K442 N502 I503Y434-N438 WeakPolarHBondContact O-CB 3.27Å; Y434-N438 PolarHBondContact O-N 2.67Å; Y434-N438 PolarHBondContact O-ND2 3.07Å; N438-R441 PolarHBondContact O-N 3.27Å; N438-K442 WeakPolarHBondContact O-CB 3.43Å; N438-K442 WeakPolarHBondContact O-CG 3.26Å; N438-K442 PolarHBondContact O-N 3.34Å; N438-N502 WeakPolarHBondContact OD1-CA 3.42Å; N438-I503 PolarHBondContact ND2-O 3.19Å; N438-I503 PolarHBondContact OD1-N 3.35Å
439R96.5Very high96Very high49 Ų4946 Ų4619%0.18524%0.236CC..Hα-helixtrans-62.3-49.8173.2-173.3-176.474.2-179.812.9111.2D415 K435 E436 L437 R441 K442 A443D415-R439 IonicContact OD1-CZ 3.16Å; D415-R439 IonicContact OD1-NH2 3.38Å; D415-R439 PolarHBondContact OD1-NH2 2.74Å; D415-R439 IonicContact OD2-NH2 3.21Å; K435-R439 WeakPolarHBondContact O-CB 3.38Å; K435-R439 PolarHBondContact O-N 3.19Å; E436-R439 WeakPolarHBondContact O-CB 3.28Å; E436-R439 PolarHBondContact O-N 3.28Å; E436-R439 IonicContact OE1-NH1 2.73Å; E436-R439 IonicContact OE2-CZ 2.86Å; E436-R439 IonicContact OE2-NE 3.09Å; E436-R439 IonicContact OE2-NH1 2.64Å; E436-R439 PolarHBondContact OE2-NH1 3.04Å; E436-R439 IonicContact OE2-NH2 3.74Å; E436-R439 PolarHBondContact OE2-NH2 3.03Å; L437-R439 VanDerWaalsContact C-N 3.3Å; L437-R439 PolarHBondContact O-N 3.4Å; R439-R441 VanDerWaalsContact C-N 3.32Å; R439-R441 PolarHBondContact O-N 3.48Å; R439-K442 PolarHBondContact O-N 3.02Å; R439-A443 WeakPolarHBondContact O-CB 3.25Å; R439-A443 PolarHBondContact O-N 2.85Å
440L97.4Very high95.9Very high1 Ų145.7 Ų45.71%0.00523%0.232CC..Hα-helixtrans-60.9-44175.2-176.8151.2000110.6W406 V416 I419 E436 L437 A443 A444 L452 L453 V456W406-L440 HydrophobicContact CH2-CG 3.87Å; W406-L440 HydrophobicContact CZ2-CB 4.44Å; W406-L440 HydrophobicContact CZ2-CD1 4.35Å; W406-L440 HydrophobicContact CZ2-CG 3.88Å; V416-L440 HydrophobicContact CG2-CD1 3.89Å; I419-L440 HydrophobicContact CD1-CB 3.8Å; I419-L440 HydrophobicContact CD1-CD1 3.59Å; I419-L440 HydrophobicContact CD1-CG 4.27Å; E436-L440 PolarHBondContact O-N 2.97Å; L437-L440 PolarHBondContact O-N 3.35Å; L440-A443 PolarHBondContact O-N 2.95Å; L440-A444 WeakPolarHBondContact O-CB 3.49Å; L440-A444 PolarHBondContact O-N 3.45Å; L440-L452 HydrophobicContact CD1-CD2 4.45Å; L440-L452 HydrophobicContact CD2-CD2 4.15Å; L440-L452 HydrophobicContact CD2-CG 4.24Å; L440-L452 HydrophobicContact CG-CD2 4.28Å; L440-L453 HydrophobicContact CD2-CD2 3.84Å; L440-V456 HydrophobicContact CD1-CG2 4.05Å; L440-V456 HydrophobicContact CD2-CG2 4.18Å
441R96.3Very high95.9Very high1 Ų151.5 Ų51.50%0.00426%0.258CS..Hα-helixtrans-54.6-57.7176.7-167.9-16771.286.518111.3L437 N438 R439 A443 A444 L445 L453 L486 A489 Y496 A498 F499 H501L437-R441 WeakPolarHBondContact O-CB 3.3Å; L437-R441 PolarHBondContact O-N 2.95Å; N438-R441 PolarHBondContact O-N 3.27Å; R439-R441 VanDerWaalsContact C-N 3.32Å; R439-R441 PolarHBondContact O-N 3.48Å; R441-A443 VanDerWaalsContact C-N 3.31Å; R441-A443 PolarHBondContact O-N 3.46Å; R441-A444 PolarHBondContact O-N 3.03Å; R441-L445 HydrophobicContact CG-CD1 4.1Å; R441-L445 HydrophobicContact CG-CG 4.47Å; R441-L445 VanDerWaalsContact O-CG 3.23Å; R441-L445 WeakPolarHBondContact O-CG 3.44Å; R441-L445 PolarHBondContact O-N 3.09Å; R441-L453 HydrophobicContact CB-CD2 4.38Å; R441-L453 HydrophobicContact CG-CD2 4.28Å; R441-L486 HydrophobicContact CB-CD2 4.41Å; R441-L486 HydrophobicContact CG-CD2 4.39Å; R441-A489 HydrophobicContact CG-CB 4.26Å; R441-Y496 PolarHBondContact NH1-O 3.27Å; R441-A498 PolarHBondContact NH1-O 3.14Å; R441-A498 PolarHBondContact NH2-O 2.73Å; R441-A498 VanDerWaalsContact NH2-O 3.12Å; R441-F499 PolarHBondContact NH2-O 2.82Å; R441-H501 PolarHBondContact NE-O 3.05Å; R441-H501 PolarHBondContact NH1-O 3.18Å; R441-H501 PolarHBondContact NH2-O 3.28Å
442K95.9Very high95.9Very high51 Ų5144.3 Ų44.322%0.22223%0.225CC..Hα-helixtrans-57.4-42.2-179.2-74.1-173.2-175.3-152.50112.6N438 R439 L445 A446 F499 N502N438-K442 WeakPolarHBondContact O-CB 3.43Å; N438-K442 WeakPolarHBondContact O-CG 3.26Å; N438-K442 PolarHBondContact O-N 3.34Å; R439-K442 PolarHBondContact O-N 3.02Å; K442-L445 PolarHBondContact O-N 3.3Å; K442-A446 WeakPolarHBondContact O-CB 3.42Å; K442-A446 PolarHBondContact O-N 3.28Å; K442-F499 HydrophobicContact CB-CD2 4.18Å; K442-F499 HydrophobicContact CB-CE2 3.63Å; K442-F499 HydrophobicContact CB-CZ 4.06Å; K442-F499 HydrophobicContact CD-CE1 4.19Å; K442-F499 HydrophobicContact CD-CE2 4.31Å; K442-F499 HydrophobicContact CD-CZ 4.03Å; K442-F499 WeakPolarHBondContact CE-O 3.46Å; K442-F499 HydrophobicContact CG-CD2 4.25Å; K442-F499 HydrophobicContact CG-CE2 4.04Å; K442-F499 HydrophobicContact CG-CZ 4.28Å; K442-N502 WeakPolarHBondContact CE-OD1 3.23Å; K442-N502 PolarHBondContact NZ-OD1 3.41Å
443A96.4Very high96Very high9 Ų941.7 Ų41.77%0.07421%0.209CC..Hα-helixtrans-65.9-44.1177.600000112.4T404 W406 R439 L440 R441 L445 A446 F447T404-A443 HydrophobicContact CG2-CB 3.56Å; W406-A443 HydrophobicContact CH2-CB 3.61Å; W406-A443 HydrophobicContact CZ2-CB 4.05Å; W406-A443 HydrophobicContact CZ3-CB 4.09Å; R439-A443 WeakPolarHBondContact O-CB 3.25Å; R439-A443 PolarHBondContact O-N 2.85Å; L440-A443 PolarHBondContact O-N 2.95Å; R441-A443 VanDerWaalsContact C-N 3.31Å; R441-A443 PolarHBondContact O-N 3.46Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-L445 PolarHBondContact O-N 2.85Å; A443-A446 PolarHBondContact O-N 3.09Å; A443-F447 HydrophobicContact CB-CE2 4.2Å; A443-F447 WeakPolarHBondContact O-CB 3.24Å; A443-F447 WeakPolarHBondContact O-CD2 3.49Å; A443-F447 VanDerWaalsContact O-CG 3.25Å; A443-F447 WeakPolarHBondContact O-CG 3.48Å; A443-F447 PolarHBondContact O-N 3.27Å
444A95.9Very high95.8Very high0 Ų046.6 Ų46.60%023%0.23CC..Hα-helixtrans-63.6-39.5177.400000112.2W406 L440 R441 F447 G448 F449 L452 L453W406-A444 HydrophobicContact CH2-CB 4.2Å; W406-A444 HydrophobicContact CZ3-CB 4.05Å; L440-A444 WeakPolarHBondContact O-CB 3.49Å; L440-A444 PolarHBondContact O-N 3.45Å; R441-A444 PolarHBondContact O-N 3.03Å; A444-F447 PolarHBondContact O-N 3.38Å; A444-G448 CarbonylContact O-C 3.59Å; A444-G448 PolarHBondContact O-N 3.46Å; A444-F449 PolarHBondContact O-N 2.81Å; A444-L452 HydrophobicContact CB-CD2 4.37Å; A444-L453 HydrophobicContact CB-CD1 4.32Å; A444-L453 HydrophobicContact CB-CD2 3.66Å; A444-L453 HydrophobicContact CB-CG 3.86Å
445L94.3Very high95.8Very high20 Ų2047.5 Ų47.511%0.10524%0.242CC..Hα-helixtrans-62.9-46.5174.2-64.5174.6000111.5R441 K442 A443 F447 G448 W450 L453 A497R441-L445 HydrophobicContact CG-CD1 4.1Å; R441-L445 HydrophobicContact CG-CG 4.47Å; R441-L445 VanDerWaalsContact O-CG 3.23Å; R441-L445 WeakPolarHBondContact O-CG 3.44Å; R441-L445 PolarHBondContact O-N 3.09Å; K442-L445 PolarHBondContact O-N 3.3Å; A443-L445 VanDerWaalsContact C-N 3.34Å; A443-L445 PolarHBondContact O-N 2.85Å; L445-F447 VanDerWaalsContact C-N 3.34Å; L445-F447 PolarHBondContact O-N 2.86Å; L445-G448 PolarHBondContact O-N 2.97Å; L445-W450 HydrophobicContact CD2-CE3 3.68Å; L445-W450 HydrophobicContact CD2-CH2 3.38Å; L445-W450 HydrophobicContact CD2-CZ2 4.4Å; L445-W450 HydrophobicContact CD2-CZ3 2.96Å; L445-W450 HydrophobicContact CG-CZ3 4.4Å; L445-L453 HydrophobicContact CD2-CD1 3.98Å; L445-L453 HydrophobicContact CG-CD1 4.45Å; L445-A497 WeakPolarHBondContact CD1-O 3.12Å
446A95.2Very high95.8Very high69 Ų6941.2 Ų41.257%0.5722%0.215SC*.Hα-helixtrans-64.4-36.8179.400000112.8K442 A443 G448 F499K442-A446 WeakPolarHBondContact O-CB 3.42Å; K442-A446 PolarHBondContact O-N 3.28Å; A443-A446 PolarHBondContact O-N 3.09Å; A446-G448 VanDerWaalsContact C-N 3.33Å; A446-F499 HydrophobicContact CB-CE2 4.4Å
447F95.5Very high95.8Very high120 Ų12040.5 Ų40.553%0.52621%0.211SC..Hα-helixtrans-82.7-8.1176.7-60.1-31.4000113.8T404 W406 A443 A444 L445 F449T404-F447 HydrophobicContact CG2-CE2 4.21Å; W406-F447 HydrophobicContact CD2-CD2 4.49Å; W406-F447 HydrophobicContact CD2-CE2 4.29Å; W406-F447 AromaticContact CE3-CD2 3.64Å; W406-F447 HydrophobicContact CE3-CD2 3.64Å; W406-F447 AromaticContact CE3-CE2 3.87Å; W406-F447 HydrophobicContact CE3-CE2 3.87Å; W406-F447 AromaticContact CZ3-CD2 3.86Å; W406-F447 HydrophobicContact CZ3-CD2 3.86Å; W406-F447 HydrophobicContact CZ3-CE2 4.24Å; A443-F447 HydrophobicContact CB-CE2 4.2Å; A443-F447 WeakPolarHBondContact O-CB 3.24Å; A443-F447 WeakPolarHBondContact O-CD2 3.49Å; A443-F447 VanDerWaalsContact O-CG 3.25Å; A443-F447 WeakPolarHBondContact O-CG 3.48Å; A443-F447 PolarHBondContact O-N 3.27Å; A444-F447 PolarHBondContact O-N 3.38Å; L445-F447 VanDerWaalsContact C-N 3.34Å; L445-F447 PolarHBondContact O-N 2.86Å; F447-F449 VanDerWaalsContact C-N 3.26Å; F447-F449 HydrophobicContact CB-CB 4.4Å; F447-F449 PolarHBondContact O-N 2.81Å
448G93.9Very high95.8Very high41 Ų4146.1 Ų46.142%0.42324%0.238SC..THydrogen-bonded Turntrans67.224.3-172.100000113.9A444 L445 A446 W450A444-G448 CarbonylContact O-C 3.59Å; A444-G448 PolarHBondContact O-N 3.46Å; L445-G448 PolarHBondContact O-N 2.97Å; A446-G448 VanDerWaalsContact C-N 3.33Å; G448-W450 PolarHBondContact O-N 2.96Å; G448-W450 PolarHBondContact O-NE1 3.04Å
449F95.2Very high95.8Very high86 Ų8647.7 Ų47.738%0.37725%0.246SC..  trans-94.161-176.8-165.637.8000112W406 L412 A444 F447 E451 L452W406-F449 HydrophobicContact CE3-CD2 4.29Å; W406-F449 HydrophobicContact CZ3-CD2 4.43Å; L412-F449 HydrophobicContact CD2-CE2 4.09Å; A444-F449 PolarHBondContact O-N 2.81Å; F447-F449 VanDerWaalsContact C-N 3.26Å; F447-F449 HydrophobicContact CB-CB 4.4Å; F447-F449 PolarHBondContact O-N 2.81Å; F449-E451 VanDerWaalsContact C-N 3.31Å; F449-E451 PolarHBondContact O-N 3.47Å; F449-L452 HydrophobicContact CD2-CB 3.46Å; F449-L452 VanDerWaalsContact CD2-CB 3.46Å; F449-L452 HydrophobicContact CD2-CD2 3.7Å; F449-L452 HydrophobicContact CD2-CG 4.15Å; F449-L452 HydrophobicContact CE2-CB 3.57Å; F449-L452 HydrophobicContact CE2-CD1 4.35Å; F449-L452 HydrophobicContact CE2-CD2 3.96Å; F449-L452 HydrophobicContact CE2-CG 4.16Å; F449-L452 HydrophobicContact CG-CB 4.05Å; F449-L452 HydrophobicContact CZ-CB 4.23Å; F449-L452 WeakPolarHBondContact O-CB 3.39Å; F449-L452 PolarHBondContact O-N 3.19Å
450W92.7Very high95.8Very high90 Ų9045.4 Ų45.434%0.34124%0.237SC..Hα-helixtrans-63.4-32-172.4-51.895.4000114.3L445 G448 L452 L453 K454 A489 A497L445-W450 HydrophobicContact CD2-CE3 3.68Å; L445-W450 HydrophobicContact CD2-CH2 3.38Å; L445-W450 HydrophobicContact CD2-CZ2 4.4Å; L445-W450 HydrophobicContact CD2-CZ3 2.96Å; L445-W450 HydrophobicContact CG-CZ3 4.4Å; G448-W450 PolarHBondContact O-N 2.96Å; G448-W450 PolarHBondContact O-NE1 3.04Å; W450-L452 PolarHBondContact O-N 3.04Å; W450-L453 HydrophobicContact CE3-CD1 4.42Å; W450-L453 WeakPolarHBondContact O-CB 3.48Å; W450-L453 PolarHBondContact O-N 3.43Å; W450-L453 VanDerWaalsContact O-N 3.07Å; W450-K454 PolarHBondContact O-N 3.32Å; W450-A489 WeakPolarHBondContact CZ3-O 3.46Å; W450-A497 HydrophobicContact CZ3-CB 4.16Å
451E94.9Very high95.8Very high149 Ų14949 Ų4970%0.69625%0.254SS*.Hα-helixtrans-61.8-31178.7-64.5-174.8163.500112.3F449 L453 K454 G455F449-E451 VanDerWaalsContact C-N 3.31Å; F449-E451 PolarHBondContact O-N 3.47Å; E451-L453 VanDerWaalsContact C-N 3.3Å; E451-L453 PolarHBondContact O-N 3.27Å; E451-K454 PolarHBondContact O-N 2.85Å; E451-G455 PolarHBondContact O-N 2.63Å
452L95.6Very high95.8Very high17 Ų1755.1 Ų55.19%0.08928%0.277CS..Hα-helixtrans-62.5-38.3174.7177.861.4000112.1W406 L412 V416 L440 A444 F449 W450 K454 G455 V456W406-L452 HydrophobicContact CD2-CD2 4.48Å; W406-L452 HydrophobicContact CE3-CD2 3.88Å; W406-L452 HydrophobicContact CH2-CD2 3.46Å; W406-L452 VanDerWaalsContact CH2-CD2 3.46Å; W406-L452 HydrophobicContact CZ2-CD2 4.09Å; W406-L452 HydrophobicContact CZ3-CD2 3.34Å; L412-L452 HydrophobicContact CD1-CD1 3.74Å; L412-L452 HydrophobicContact CD1-CD2 3.49Å; L412-L452 VanDerWaalsContact CD1-CD2 3.49Å; L412-L452 HydrophobicContact CD1-CG 4.26Å; L412-L452 HydrophobicContact CD2-CD1 4.24Å; L412-L452 HydrophobicContact CG-CD1 4.41Å; V416-L452 HydrophobicContact CG2-CD1 4.48Å; L440-L452 HydrophobicContact CD1-CD2 4.45Å; L440-L452 HydrophobicContact CD2-CD2 4.15Å; L440-L452 HydrophobicContact CD2-CG 4.24Å; L440-L452 HydrophobicContact CG-CD2 4.28Å; A444-L452 HydrophobicContact CB-CD2 4.37Å; F449-L452 HydrophobicContact CD2-CB 3.46Å; F449-L452 VanDerWaalsContact CD2-CB 3.46Å; F449-L452 HydrophobicContact CD2-CD2 3.7Å; F449-L452 HydrophobicContact CD2-CG 4.15Å; F449-L452 HydrophobicContact CE2-CB 3.57Å; F449-L452 HydrophobicContact CE2-CD1 4.35Å; F449-L452 HydrophobicContact CE2-CD2 3.96Å; F449-L452 HydrophobicContact CE2-CG 4.16Å; F449-L452 HydrophobicContact CG-CB 4.05Å; F449-L452 HydrophobicContact CZ-CB 4.23Å; F449-L452 WeakPolarHBondContact O-CB 3.39Å; F449-L452 PolarHBondContact O-N 3.19Å; W450-L452 PolarHBondContact O-N 3.04Å; L452-K454 VanDerWaalsContact C-N 3.32Å; L452-K454 PolarHBondContact O-N 2.93Å; L452-G455 PolarHBondContact O-N 3.03Å; L452-V456 HydrophobicContact CD1-CG2 3.83Å; L452-V456 HydrophobicContact CG-CG2 4.24Å; L452-V456 WeakPolarHBondContact O-CB 3.26Å; L452-V456 VanDerWaalsContact O-CG2 3.3Å; L452-V456 WeakPolarHBondContact O-CG2 3.48Å; L452-V456 PolarHBondContact O-N 3.5Å
453L96.1Very high95.7Very high0 Ų053.2 Ų53.20%027%0.269CS..Hα-helixtrans-64.7-39.8178.7-59.5179.9000111.2L440 R441 A444 L445 W450 E451 A457 L486 A489L440-L453 HydrophobicContact CD2-CD2 3.84Å; R441-L453 HydrophobicContact CB-CD2 4.38Å; R441-L453 HydrophobicContact CG-CD2 4.28Å; A444-L453 HydrophobicContact CB-CD1 4.32Å; A444-L453 HydrophobicContact CB-CD2 3.66Å; A444-L453 HydrophobicContact CB-CG 3.86Å; L445-L453 HydrophobicContact CD2-CD1 3.98Å; L445-L453 HydrophobicContact CG-CD1 4.45Å; W450-L453 HydrophobicContact CE3-CD1 4.42Å; W450-L453 WeakPolarHBondContact O-CB 3.48Å; W450-L453 PolarHBondContact O-N 3.43Å; W450-L453 VanDerWaalsContact O-N 3.07Å; E451-L453 VanDerWaalsContact C-N 3.3Å; E451-L453 PolarHBondContact O-N 3.27Å; L453-A457 WeakPolarHBondContact O-CB 3.3Å; L453-A457 PolarHBondContact O-N 3.44Å; L453-L486 HydrophobicContact CB-CD2 4.39Å; L453-L486 HydrophobicContact CD2-CD2 3.67Å; L453-A489 HydrophobicContact CD1-CB 4.37Å
454K95.3Very high95.6Very high103 Ų10353.9 Ų53.945%0.44827%0.273SS..Hα-helixtrans-62.9-50.3173.7-63.2-179.7-177.3175.30110.8W450 E451 L452 V456 A457 E458 S490W450-K454 PolarHBondContact O-N 3.32Å; E451-K454 PolarHBondContact O-N 2.85Å; L452-K454 VanDerWaalsContact C-N 3.32Å; L452-K454 PolarHBondContact O-N 2.93Å; K454-V456 PolarHBondContact O-N 2.7Å; K454-A457 WeakPolarHBondContact O-CB 3.48Å; K454-A457 PolarHBondContact O-N 3Å; K454-E458 WeakPolarHBondContact O-CG 3.46Å; K454-E458 PolarHBondContact O-N 3.06Å; K454-S490 WeakPolarHBondContact CE-OG 3.45Å; K454-S490 VanDerWaalsContact CG-OG 3.27Å; K454-S490 WeakPolarHBondContact CG-OG 3.34Å
455G96.8Very high95.5Very high28 Ų2859.5 Ų59.529%0.28931%0.307SS..Hα-helixtrans-61.5-40.8179.600000113.4E451 L452 E458 L459E451-G455 PolarHBondContact O-N 2.63Å; L452-G455 PolarHBondContact O-N 3.03Å; G455-E458 PolarHBondContact O-N 3.34Å; G455-L459 VanDerWaalsContact O-CG 3.32Å; G455-L459 WeakPolarHBondContact O-CG 3.21Å; G455-L459 PolarHBondContact O-N 3.49Å; G455-L459 VanDerWaalsContact O-N 3.07Å
456V97.4Very high95.5Very high2 Ų264.1 Ų64.11%0.01233%0.33CS..Hα-helixtrans-68.8-37.5176.3174.80000111.4V416 L440 L452 K454 L459 L460 L486V416-V456 HydrophobicContact CG2-CG2 3.94Å; L440-V456 HydrophobicContact CD1-CG2 4.05Å; L440-V456 HydrophobicContact CD2-CG2 4.18Å; L452-V456 HydrophobicContact CD1-CG2 3.83Å; L452-V456 HydrophobicContact CG-CG2 4.24Å; L452-V456 WeakPolarHBondContact O-CB 3.26Å; L452-V456 VanDerWaalsContact O-CG2 3.3Å; L452-V456 WeakPolarHBondContact O-CG2 3.48Å; L452-V456 PolarHBondContact O-N 3.5Å; K454-V456 PolarHBondContact O-N 2.7Å; V456-L459 WeakPolarHBondContact O-CB 3.34Å; V456-L459 PolarHBondContact O-N 3.2Å; V456-L460 HydrophobicContact CG1-CD1 4.48Å; V456-L460 WeakPolarHBondContact O-CG 3.33Å; V456-L460 PolarHBondContact O-N 3.42Å; V456-L486 HydrophobicContact CB-CD1 4.41Å; V456-L486 HydrophobicContact CG1-CD1 3.89Å
457A97.1Very high95.2Very high0 Ų062.7 Ų62.70%031%0.313CS..Hα-helixtrans-62.2-44.6175.200000112.4L453 K454 L459 L460 E461 A483 L486 K487L453-A457 WeakPolarHBondContact O-CB 3.3Å; L453-A457 PolarHBondContact O-N 3.44Å; K454-A457 WeakPolarHBondContact O-CB 3.48Å; K454-A457 PolarHBondContact O-N 3Å; A457-L459 VanDerWaalsContact C-N 3.3Å; A457-L459 PolarHBondContact O-N 3.28Å; A457-L460 PolarHBondContact O-N 3.07Å; A457-L460 VanDerWaalsContact O-N 3.16Å; A457-E461 PolarHBondContact O-N 2.9Å; A457-A483 HydrophobicContact CB-CB 4.33Å; A457-A483 WeakPolarHBondContact CB-O 3.48Å; A457-A483 WeakPolarHBondContact O-CB 3.31Å; A457-L486 HydrophobicContact CB-CB 3.88Å; A457-L486 HydrophobicContact CB-CD1 4.45Å; A457-K487 HydrophobicContact CB-CD 4.38Å; A457-K487 HydrophobicContact CB-CG 3.63Å
458E97.3Very high95Very high119 Ų11961 Ų6156%0.55631%0.313SS*.Hα-helixtrans-61.6-37.9175.1-70.5172-172.900112K454 G455 E461 R462K454-E458 WeakPolarHBondContact O-CG 3.46Å; K454-E458 PolarHBondContact O-N 3.06Å; G455-E458 PolarHBondContact O-N 3.34Å; E458-E461 PolarHBondContact O-N 3.22Å; E458-R462 WeakPolarHBondContact O-CB 3.49Å; E458-R462 PolarHBondContact O-N 2.85Å
459L96.7Very high94.6Very high47 Ų4767.5 Ų67.525%0.24634%0.338CS..Hα-helixtrans-63.3-40.6173.7-72.6173.2000112V416 L420 G455 V456 A457 R462 E463V416-L459 HydrophobicContact CG1-CD1 3.84Å; L420-L459 HydrophobicContact CD2-CB 4.34Å; G455-L459 VanDerWaalsContact O-CG 3.32Å; G455-L459 WeakPolarHBondContact O-CG 3.21Å; G455-L459 PolarHBondContact O-N 3.49Å; G455-L459 VanDerWaalsContact O-N 3.07Å; V456-L459 WeakPolarHBondContact O-CB 3.34Å; V456-L459 PolarHBondContact O-N 3.2Å; A457-L459 VanDerWaalsContact C-N 3.3Å; A457-L459 PolarHBondContact O-N 3.28Å; L459-R462 PolarHBondContact O-N 3.44Å; L459-E463 WeakPolarHBondContact O-CG 3.32Å; L459-E463 PolarHBondContact O-N 2.71Å
460L97.2Very high94.3Very high0 Ų068.8 Ų68.80%036%0.358CS..Hα-helixtrans-68.2-39.1177.3-68.1176.7000112.3I419 L420 A423 F433 L437 V456 A457 R462 E463 C464 L479 A482 A483 L486I419-L460 HydrophobicContact CG2-CD2 4.29Å; L420-L460 HydrophobicContact CD2-CD2 4.17Å; A423-L460 HydrophobicContact CB-CD2 4.24Å; F433-L460 HydrophobicContact CE2-CD2 3.87Å; F433-L460 HydrophobicContact CZ-CD1 4.17Å; F433-L460 HydrophobicContact CZ-CD2 4.04Å; L437-L460 HydrophobicContact CD1-CD1 3.95Å; V456-L460 HydrophobicContact CG1-CD1 4.48Å; V456-L460 WeakPolarHBondContact O-CG 3.33Å; V456-L460 PolarHBondContact O-N 3.42Å; A457-L460 PolarHBondContact O-N 3.07Å; A457-L460 VanDerWaalsContact O-N 3.16Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.23Å; L460-E463 PolarHBondContact O-N 3.43Å; L460-C464 WeakPolarHBondContact O-CB 3.32Å; L460-C464 PolarHBondContact O-N 3.04Å; L460-L479 HydrophobicContact CD2-CD2 4.06Å; L460-A482 HydrophobicContact CD1-CB 4.14Å; L460-A483 HydrophobicContact CB-CB 3.99Å; L460-L486 HydrophobicContact CD1-CD1 3.81Å
461E96.8Very high94Very high77 Ų7766.3 Ų66.336%0.3636%0.357SS..Hα-helixtrans-59.4-45.4172.1-73.8172.9169.400110.8A457 E458 E463 C464 T465 A483 K487A457-E461 PolarHBondContact O-N 2.9Å; E458-E461 PolarHBondContact O-N 3.22Å; E461-E463 PolarHBondContact O-N 2.85Å; E461-C464 WeakPolarHBondContact O-CB 3.39Å; E461-C464 PolarHBondContact O-N 3.26Å; E461-T465 WeakPolarHBondContact O-CG2 3.46Å; E461-T465 PolarHBondContact O-N 2.98Å; E461-T465 VanDerWaalsContact O-N 3.09Å; E461-A483 HydrophobicContact CG-CB 3.71Å; E461-K487 WeakPolarHBondContact OE1-CE 3.49Å; E461-K487 IonicContact OE1-NZ 2.69Å; E461-K487 PolarHBondContact OE1-NZ 3.45Å; E461-K487 IonicContact OE2-NZ 3.48Å; E461-K487 PolarHBondContact OE2-NZ 2.85Å
462R95.8Very high93.8Very high130 Ų13063 Ų6349%0.49134%0.341SS..Hα-helixtrans-60.8-46.1176-169.6-177.169.6-178.92111.9E458 L459 L460 C464 T465 M466E458-R462 WeakPolarHBondContact O-CB 3.49Å; E458-R462 PolarHBondContact O-N 2.85Å; L459-R462 PolarHBondContact O-N 3.44Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.23Å; R462-C464 VanDerWaalsContact C-N 3.28Å; R462-C464 PolarHBondContact O-N 2.98Å; R462-T465 PolarHBondContact O-N 2.88Å; R462-T465 PolarHBondContact O-OG1 3.35Å; R462-M466 WeakPolarHBondContact O-CG 3.36Å; R462-M466 PolarHBondContact O-N 3.21Å; R462-M466 VanDerWaalsContact O-N 3.14Å
463E94.2Very high93.4Very high11 Ų1165.3 Ų65.35%0.05136%0.358CS..Hα-helixtrans-62.7-35.5176.6-68.6-69.8152.100112L420 R424 L459 L460 E461 T465 M466 L467L420-E463 HydrophobicContact CD2-CG 3.99Å; R424-E463 IonicContact CZ-OE1 3.61Å; R424-E463 IonicContact CZ-OE2 3.46Å; R424-E463 IonicContact NE-OE1 2.67Å; R424-E463 IonicContact NE-OE2 3.74Å; R424-E463 PolarHBondContact NE-OE2 3.3Å; R424-E463 IonicContact NH2-OE1 2.82Å; R424-E463 PolarHBondContact NH2-OE1 3.41Å; R424-E463 IonicContact NH2-OE2 3.31Å; R424-E463 PolarHBondContact NH2-OE2 2.94Å; L459-E463 WeakPolarHBondContact O-CG 3.32Å; L459-E463 PolarHBondContact O-N 2.71Å; L460-E463 PolarHBondContact O-N 3.43Å; E461-E463 PolarHBondContact O-N 2.85Å; E463-T465 VanDerWaalsContact C-N 3.32Å; E463-T465 PolarHBondContact O-N 3.12Å; E463-M466 CarbonylContact O-C 3.58Å; E463-M466 PolarHBondContact O-N 2.84Å; E463-L467 PolarHBondContact O-N 3.25Å
464C94.6Very high93.2Very high23 Ų2365.8 Ų65.816%0.15536%0.36CS..Hα-helixtrans-61.1-40.4174.4-169.50000111.9L460 E461 R462 M466 L479 S480L460-C464 WeakPolarHBondContact O-CB 3.32Å; L460-C464 PolarHBondContact O-N 3.04Å; E461-C464 WeakPolarHBondContact O-CB 3.39Å; E461-C464 PolarHBondContact O-N 3.26Å; R462-C464 VanDerWaalsContact C-N 3.28Å; R462-C464 PolarHBondContact O-N 2.98Å; C464-M466 VanDerWaalsContact C-N 3.3Å; C464-M466 PolarHBondContact O-N 3.37Å; C464-L479 HydrophobicContact CB-CB 3.9Å; C464-L479 HydrophobicContact CB-CD1 4.14Å; C464-S480 PolarHBondContact SG-OG 3.16Å
465T93.6Very high93Very high117 Ų11761 Ų6172%0.71834%0.34SS*.Hα-helixtrans-73.2-20.4176.963.50000113.9E461 R462 E463E461-T465 WeakPolarHBondContact O-CG2 3.46Å; E461-T465 PolarHBondContact O-N 2.98Å; E461-T465 VanDerWaalsContact O-N 3.09Å; R462-T465 PolarHBondContact O-N 2.88Å; R462-T465 PolarHBondContact O-OG1 3.35Å; E463-T465 VanDerWaalsContact C-N 3.32Å; E463-T465 PolarHBondContact O-N 3.12Å
466M93.1Very high92.8Very high118 Ų11861.4 Ų61.458%0.58134%0.34SS*.THydrogen-bonded Turntrans-101.413.7-179.9-63.1-151.5-5300113.3R462 E463 C464R462-M466 WeakPolarHBondContact O-CG 3.36Å; R462-M466 PolarHBondContact O-N 3.21Å; R462-M466 VanDerWaalsContact O-N 3.14Å; E463-M466 CarbonylContact O-C 3.58Å; E463-M466 PolarHBondContact O-N 2.84Å; C464-M466 VanDerWaalsContact C-N 3.3Å; C464-M466 PolarHBondContact O-N 3.37Å
467L90.3Very high92.6Very high39 Ų3966.2 Ų66.220%0.20436%0.361CS..  trans-61.9133.6172.9-73.9175.2000109.9E463 A471 A475 A476 L479E463-L467 PolarHBondContact O-N 3.25Å; L467-A471 HydrophobicContact CB-CB 4.07Å; L467-A471 HydrophobicContact CD2-CB 4.24Å; L467-A475 HydrophobicContact CD1-CB 3.98Å; L467-A475 HydrophobicContact CD2-CB 4.38Å; L467-A476 HydrophobicContact CD1-CB 3.99Å; L467-L479 HydrophobicContact CD1-CD1 4.18Å; L467-L479 HydrophobicContact CD2-CD1 4.21Å; L467-L479 HydrophobicContact CG-CD1 4.36Å
468P90.3Very high92.5Very high83 Ų8366.4 Ų66.454%0.53936%0.362SS..  trans-61.6154.5172.5-22.132.5000112S470 A471P468-S470 PolarHBondContact O-N 3.37Å; P468-A471 WeakPolarHBondContact O-CB 3.25Å; P468-A471 PolarHBondContact O-N 3.14Å
469D85.8Confident92.5Very high178 Ų17860.8 Ų60.895%0.95234%0.336SS*.THydrogen-bonded Turntrans-60-19.7174.9-62.5-28.8000113.3
470S88.1Confident92.4Very high114 Ų11461.5 Ų61.580%0.79735%0.345SS*.THydrogen-bonded Turntrans-86.6-0.1174.858.80000114.3P468P468-S470 PolarHBondContact O-N 3.37Å
471A88Confident92.3Very high38 Ų3863.1 Ų63.131%0.31435%0.352SS..SBendtrans-71.4146.2178.700000111.4L467 P468L467-A471 HydrophobicContact CB-CB 4.07Å; L467-A471 HydrophobicContact CD2-CB 4.24Å; P468-A471 WeakPolarHBondContact O-CB 3.25Å; P468-A471 PolarHBondContact O-N 3.14Å
472H90.3Very high92.3Very high78 Ų7859.4 Ų59.436%0.36134%0.335SS..  trans-66.2137.9177.2-173-81.5000110.7P427 D474 A475P427-H472 VanDerWaalsContact CD-CB 3.48Å; P427-H472 HydrophobicContact CG-CB 4.36Å; H472-D474 VanDerWaalsContact C-N 3.26Å; H472-D474 WeakPolarHBondContact ND1-CB 3.24Å; H472-D474 PolarHBondContact ND1-N 3.14Å; H472-D474 VanDerWaalsContact ND1-N 3.12Å; H472-D474 PolarHBondContact O-N 2.97Å; H472-D474 VanDerWaalsContact O-N 3.17Å; H472-A475 VanDerWaalsContact O-CB 3.26Å; H472-A475 WeakPolarHBondContact O-CB 3.43Å; H472-A475 PolarHBondContact O-N 2.89Å
473P88Confident92.4Very high67 Ų6753.2 Ų53.244%0.43531%0.312SS..Hα-helixtrans-57.7-35.3-174.920.9-33.8000113.7A475 A476 F477 F510P473-A475 PolarHBondContact O-N 3.26Å; P473-A476 PolarHBondContact O-N 3.04Å; P473-F477 WeakPolarHBondContact O-CD2 3.39Å; P473-F510 HydrophobicContact CB-CD1 4.49Å; P473-F510 HydrophobicContact CB-CE1 4.12Å; P473-F510 HydrophobicContact CB-CZ 4.17Å; P473-F510 HydrophobicContact CG-CD1 3.94Å; P473-F510 HydrophobicContact CG-CE1 4.02Å; P473-F510 HydrophobicContact CG-CG 4.34Å; P473-F510 HydrophobicContact CG-CZ 4.49Å
474D90.2Very high92.4Very high10 Ų1057.7 Ų57.75%0.05333%0.332CS..Hα-helixtrans-57.1-30.5176.3-171.153000113.3P427 H472 A476 F477 Q478 T508 F510P427-D474 HydrophobicContact CB-CB 4.38Å; P427-D474 WeakPolarHBondContact CB-OD2 3.48Å; H472-D474 VanDerWaalsContact C-N 3.26Å; H472-D474 WeakPolarHBondContact ND1-CB 3.24Å; H472-D474 PolarHBondContact ND1-N 3.14Å; H472-D474 VanDerWaalsContact ND1-N 3.12Å; H472-D474 PolarHBondContact O-N 2.97Å; H472-D474 VanDerWaalsContact O-N 3.17Å; D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 2.94Å; D474-F477 PolarHBondContact O-N 3.33Å; D474-Q478 VanDerWaalsContact O-CG 3.31Å; D474-Q478 WeakPolarHBondContact O-CG 3.38Å; D474-Q478 PolarHBondContact O-N 3.31Å; D474-Q478 PolarHBondContact OD1-NE2 3.43Å; D474-Q478 VanDerWaalsContact OD1-NE2 3.07Å; D474-Q478 WeakPolarHBondContact OD2-CG 3.29Å; D474-T508 WeakPolarHBondContact OD1-CB 3.26Å; D474-T508 WeakPolarHBondContact OD1-CG2 3.15Å; D474-T508 PolarHBondContact OD1-OG1 2.88Å; D474-F510 HydrophobicContact CB-CD2 4.08Å
475A91.8Very high92.4Very high2 Ų257.6 Ų57.62%0.01733%0.33CS..Hα-helixtrans-58.3-41.5-179.300000112.2L426 L467 H472 P473 L479L426-A475 HydrophobicContact CB-CB 3.81Å; L467-A475 HydrophobicContact CD1-CB 3.98Å; L467-A475 HydrophobicContact CD2-CB 4.38Å; H472-A475 VanDerWaalsContact O-CB 3.26Å; H472-A475 WeakPolarHBondContact O-CB 3.43Å; H472-A475 PolarHBondContact O-N 2.89Å; P473-A475 PolarHBondContact O-N 3.26Å; A475-L479 WeakPolarHBondContact O-CB 3.4Å; A475-L479 VanDerWaalsContact O-CG 3.22Å; A475-L479 WeakPolarHBondContact O-CG 3.48Å; A475-L479 PolarHBondContact O-N 2.97Å
476A93Very high92.4Very high36 Ų3652 Ų5230%0.29830%0.295SS..Hα-helixtrans-67.2-40.5179.600000112.2L467 P473 D474 S480L467-A476 HydrophobicContact CD1-CB 3.99Å; P473-A476 PolarHBondContact O-N 3.04Å; D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 2.94Å; A476-S480 WeakPolarHBondContact O-CB 3.49Å; A476-S480 PolarHBondContact O-N 2.98Å; A476-S480 PolarHBondContact O-OG 3.42Å
477F93.6Very high92.5Very high103 Ų10349.9 Ų49.945%0.45228%0.283SS..Hα-helixtrans-63.9-47.3176.7-74.8-81.8000111.5P473 D474 H481 M506 T508 F510P473-F477 WeakPolarHBondContact O-CD2 3.39Å; D474-F477 PolarHBondContact O-N 3.33Å; F477-H481 VanDerWaalsContact O-CB 3.25Å; F477-H481 WeakPolarHBondContact O-CB 3.37Å; F477-H481 PolarHBondContact O-N 2.94Å; F477-M506 HydrophobicContact CB-SD 4.47Å; F477-M506 HydrophobicContact CD1-SD 4.36Å; F477-T508 HydrophobicContact CB-CG2 4.29Å; F477-F510 AromaticContact CD2-CE2 3.73Å; F477-F510 HydrophobicContact CD2-CE2 3.73Å; F477-F510 HydrophobicContact CD2-CZ 4.21Å; F477-F510 AromaticContact CE2-CE2 3.69Å; F477-F510 HydrophobicContact CE2-CE2 3.69Å; F477-F510 AromaticContact CE2-CZ 3.7Å; F477-F510 HydrophobicContact CE2-CZ 3.7Å; F477-F510 HydrophobicContact CZ-CZ 4.46Å
478Q94.8Very high92.5Very high4 Ų450.3 Ų50.32%0.01929%0.285CS..Hα-helixtrans-66-41.1-179.6-62-56.9-30.300112.3L426 Y434 D474 A482 M506L426-Q478 HydrophobicContact CD1-CB 3.99Å; Y434-Q478 HydrophobicContact CE2-CB 4.47Å; Y434-Q478 PolarHBondContact OH-O 3.34Å; Y434-Q478 PolarHBondContact OH-OE1 2.99Å; D474-Q478 VanDerWaalsContact O-CG 3.31Å; D474-Q478 WeakPolarHBondContact O-CG 3.38Å; D474-Q478 PolarHBondContact O-N 3.31Å; D474-Q478 PolarHBondContact OD1-NE2 3.43Å; D474-Q478 VanDerWaalsContact OD1-NE2 3.07Å; D474-Q478 WeakPolarHBondContact OD2-CG 3.29Å; Q478-A482 VanDerWaalsContact O-CB 3.24Å; Q478-A482 WeakPolarHBondContact O-CB 3.43Å; Q478-A482 PolarHBondContact O-N 3.07Å; Q478-M506 PolarHBondContact NE2-O 3.48Å
479L96.1Very high92.6Very high1 Ų146.4 Ų46.41%0.00526%0.26CS..Hα-helixtrans-67.2-44.4178.7-69.6175.3000112.3A423 L426 F433 L460 C464 L467 A475 A482 A483A423-L479 HydrophobicContact CB-CD2 3.52Å; L426-L479 HydrophobicContact CD1-CD2 3.78Å; L426-L479 HydrophobicContact CD1-CG 3.94Å; F433-L479 HydrophobicContact CE2-CD2 4.34Å; F433-L479 HydrophobicContact CZ-CD2 4.02Å; L460-L479 HydrophobicContact CD2-CD2 4.06Å; C464-L479 HydrophobicContact CB-CB 3.9Å; C464-L479 HydrophobicContact CB-CD1 4.14Å; L467-L479 HydrophobicContact CD1-CD1 4.18Å; L467-L479 HydrophobicContact CD2-CD1 4.21Å; L467-L479 HydrophobicContact CG-CD1 4.36Å; A475-L479 WeakPolarHBondContact O-CB 3.4Å; A475-L479 VanDerWaalsContact O-CG 3.22Å; A475-L479 WeakPolarHBondContact O-CG 3.48Å; A475-L479 PolarHBondContact O-N 2.97Å; L479-A482 PolarHBondContact O-N 2.68Å; L479-A483 WeakPolarHBondContact O-CB 3.41Å; L479-A483 PolarHBondContact O-N 3.07Å
480S95.3Very high92.8Very high62 Ų6238.5 Ų38.543%0.43422%0.218SC..Hα-helixtrans-63.3-43.5177.9-59.60000111.4C464 A476 H484C464-S480 PolarHBondContact SG-OG 3.16Å; A476-S480 WeakPolarHBondContact O-CB 3.49Å; A476-S480 PolarHBondContact O-N 2.98Å; A476-S480 PolarHBondContact O-OG 3.42Å; S480-H484 WeakPolarHBondContact O-CB 3.4Å; S480-H484 PolarHBondContact O-N 3.03Å
481H96Very high92.6Very high34 Ų3436.3 Ų36.316%0.15720%0.203CC..Hα-helixtrans-61-51.2175176.164.4000111.8Y434 F477 A483 H484 Q485 V504 M506Y434-H481 PolarHBondContact OH-CD2 2.7Å; F477-H481 VanDerWaalsContact O-CB 3.25Å; F477-H481 WeakPolarHBondContact O-CB 3.37Å; F477-H481 PolarHBondContact O-N 2.94Å; H481-A483 VanDerWaalsContact C-N 3.34Å; H481-A483 PolarHBondContact O-N 3.37Å; H481-H484 PolarHBondContact O-N 3.42Å; H481-Q485 WeakPolarHBondContact O-CB 3.22Å; H481-Q485 VanDerWaalsContact O-CG 3.24Å; H481-Q485 WeakPolarHBondContact O-CG 3.43Å; H481-Q485 PolarHBondContact O-N 2.82Å; H481-V504 PolarHBondContact CD2-O 2.98Å; H481-V504 PolarHBondContact NE2-O 3.17Å; H481-M506 HydrophobicContact CB-CE 4.03Å
482A96.4Very high91.7Very high0 Ų036.1 Ų36.10%021%0.205CC..Hα-helixtrans-58.7-42.2179.400000113F433 Y434 L437 L460 Q478 L479 L486F433-A482 HydrophobicContact CE1-CB 3.76Å; F433-A482 HydrophobicContact CZ-CB 3.81Å; Y434-A482 HydrophobicContact CE1-CB 4.25Å; L437-A482 HydrophobicContact CD2-CB 3.66Å; L460-A482 HydrophobicContact CD1-CB 4.14Å; Q478-A482 VanDerWaalsContact O-CB 3.24Å; Q478-A482 WeakPolarHBondContact O-CB 3.43Å; Q478-A482 PolarHBondContact O-N 3.07Å; L479-A482 PolarHBondContact O-N 2.68Å; A482-L486 WeakPolarHBondContact O-CB 3.47Å; A482-L486 PolarHBondContact O-N 3.48Å
483A96.6Very high90.6Very high0 Ų040.6 Ų40.60%023%0.231CC..Hα-helixtrans-65.1-45.1177.100000112.2A457 L460 E461 L479 H481 Q485 L486 K487A457-A483 HydrophobicContact CB-CB 4.33Å; A457-A483 WeakPolarHBondContact CB-O 3.48Å; A457-A483 WeakPolarHBondContact O-CB 3.31Å; L460-A483 HydrophobicContact CB-CB 3.99Å; E461-A483 HydrophobicContact CG-CB 3.71Å; L479-A483 WeakPolarHBondContact O-CB 3.41Å; L479-A483 PolarHBondContact O-N 3.07Å; H481-A483 VanDerWaalsContact C-N 3.34Å; H481-A483 PolarHBondContact O-N 3.37Å; A483-Q485 PolarHBondContact O-N 2.95Å; A483-L486 PolarHBondContact O-N 3.2Å; A483-K487 PolarHBondContact O-N 3.24Å
484H95.1Very high89.6Confident105 Ų10539.1 Ų39.149%0.48622%0.223SC..Hα-helixtrans-60.5-46.6177.7-175.870.1000111.6S480 H481 L486 K487 L488S480-H484 WeakPolarHBondContact O-CB 3.4Å; S480-H484 PolarHBondContact O-N 3.03Å; H481-H484 PolarHBondContact O-N 3.42Å; H484-L486 VanDerWaalsContact C-N 3.34Å; H484-L486 PolarHBondContact O-N 3.37Å; H484-K487 PolarHBondContact O-N 3.38Å; H484-L488 WeakPolarHBondContact O-CG 3.32Å; H484-L488 PolarHBondContact O-N 3.47Å
485Q93.9Very high88.9Confident21 Ų2144.9 Ų44.910%0.09825%0.249CC..Hα-helixtrans-64.3-36.8179.2-66.7-64.3-28.500112.6H481 A483 L488 A489 I503H481-Q485 WeakPolarHBondContact O-CB 3.22Å; H481-Q485 VanDerWaalsContact O-CG 3.24Å; H481-Q485 WeakPolarHBondContact O-CG 3.43Å; H481-Q485 PolarHBondContact O-N 2.82Å; A483-Q485 PolarHBondContact O-N 2.95Å; Q485-L488 PolarHBondContact O-N 2.97Å; Q485-A489 PolarHBondContact O-N 3.02Å; Q485-I503 HydrophobicContact CB-CD1 3.89Å; Q485-I503 HydrophobicContact CB-CG1 4.02Å; Q485-I503 HydrophobicContact CB-CG2 3.76Å; Q485-I503 HydrophobicContact CG-CG2 4.02Å
486L94.5Very high88.1Confident0 Ų047.5 Ų47.50%026%0.259CS..Hα-helixtrans-64.8-40.8172.7-87.8171.4000112.9L437 R441 L453 V456 A457 L460 A482 A483 H484 L488 A489 S490 I503L437-L486 HydrophobicContact CD1-CD1 3.48Å; L437-L486 VanDerWaalsContact CD1-CD1 3.48Å; L437-L486 HydrophobicContact CD1-CG 4.19Å; L437-L486 HydrophobicContact CG-CD1 4.3Å; R441-L486 HydrophobicContact CB-CD2 4.41Å; R441-L486 HydrophobicContact CG-CD2 4.39Å; L453-L486 HydrophobicContact CB-CD2 4.39Å; L453-L486 HydrophobicContact CD2-CD2 3.67Å; V456-L486 HydrophobicContact CB-CD1 4.41Å; V456-L486 HydrophobicContact CG1-CD1 3.89Å; A457-L486 HydrophobicContact CB-CB 3.88Å; A457-L486 HydrophobicContact CB-CD1 4.45Å; L460-L486 HydrophobicContact CD1-CD1 3.81Å; A482-L486 WeakPolarHBondContact O-CB 3.47Å; A482-L486 PolarHBondContact O-N 3.48Å; A483-L486 PolarHBondContact O-N 3.2Å; H484-L486 VanDerWaalsContact C-N 3.34Å; H484-L486 PolarHBondContact O-N 3.37Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L486-A489 PolarHBondContact O-N 3.07Å; L486-S490 PolarHBondContact O-N 3.5Å; L486-I503 HydrophobicContact CD2-CD1 4.34Å; L486-I503 HydrophobicContact CG-CD1 4.07Å
487K93.6Very high87.7Confident72 Ų7246.5 Ų46.531%0.31325%0.251SS..Hα-helixtrans-62.1-43.3175.3-74.5-179.3178.11770111.1A457 E461 A483 H484 A489 S490A457-K487 HydrophobicContact CB-CD 4.38Å; A457-K487 HydrophobicContact CB-CG 3.63Å; E461-K487 WeakPolarHBondContact OE1-CE 3.49Å; E461-K487 IonicContact OE1-NZ 2.69Å; E461-K487 PolarHBondContact OE1-NZ 3.45Å; E461-K487 IonicContact OE2-NZ 3.48Å; E461-K487 PolarHBondContact OE2-NZ 2.85Å; A483-K487 PolarHBondContact O-N 3.24Å; H484-K487 PolarHBondContact O-N 3.38Å; K487-A489 VanDerWaalsContact C-N 3.35Å; K487-A489 PolarHBondContact O-N 2.9Å; K487-S490 WeakPolarHBondContact O-CB 3.34Å; K487-S490 PolarHBondContact O-N 3.32Å; K487-S490 VanDerWaalsContact O-N 3.14Å; K487-S490 PolarHBondContact O-OG 3.05Å
488L91.8Very high87.4Confident49 Ų4944 Ų4426%0.25725%0.249SC..Hα-helixtrans-59.8-44.4174-66.8175.7000111.6H484 Q485 L486 S490 S491 Y496H484-L488 WeakPolarHBondContact O-CG 3.32Å; H484-L488 PolarHBondContact O-N 3.47Å; Q485-L488 PolarHBondContact O-N 2.97Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L488-S490 PolarHBondContact O-N 2.76Å; L488-S491 PolarHBondContact O-N 3.09Å; L488-S491 PolarHBondContact O-OG 3.19Å; L488-Y496 HydrophobicContact CB-CD2 3.88Å; L488-Y496 HydrophobicContact CB-CG 4.05Å; L488-Y496 HydrophobicContact CD1-CD2 3.79Å; L488-Y496 HydrophobicContact CD1-CE2 3.82Å; L488-Y496 HydrophobicContact CD1-CG 4.34Å; L488-Y496 HydrophobicContact CG-CD2 4.39Å
489A90.9Very high87.2Confident1 Ų148.9 Ų48.91%0.00827%0.27CS..Hα-helixtrans-63.2-29.1176.100000113.2R441 W450 L453 Q485 L486 K487 S491 Y496R441-A489 HydrophobicContact CG-CB 4.26Å; W450-A489 WeakPolarHBondContact CZ3-O 3.46Å; L453-A489 HydrophobicContact CD1-CB 4.37Å; Q485-A489 PolarHBondContact O-N 3.02Å; L486-A489 PolarHBondContact O-N 3.07Å; K487-A489 VanDerWaalsContact C-N 3.35Å; K487-A489 PolarHBondContact O-N 2.9Å; A489-S491 VanDerWaalsContact C-N 3.26Å; A489-S491 PolarHBondContact O-N 3.45Å; A489-Y496 VanDerWaalsContact CB-O 3.28Å; A489-Y496 WeakPolarHBondContact CB-O 3.49Å
490S90.2Very high87Confident11 Ų1155.1 Ų55.18%0.07730%0.304CS..THydrogen-bonded Turntrans-74.3-9.7179.880.40000115.1K454 L486 K487 L488K454-S490 WeakPolarHBondContact CE-OG 3.45Å; K454-S490 VanDerWaalsContact CG-OG 3.27Å; K454-S490 WeakPolarHBondContact CG-OG 3.34Å; L486-S490 PolarHBondContact O-N 3.5Å; K487-S490 WeakPolarHBondContact O-CB 3.34Å; K487-S490 PolarHBondContact O-N 3.32Å; K487-S490 VanDerWaalsContact O-N 3.14Å; K487-S490 PolarHBondContact O-OG 3.05Å; L488-S490 PolarHBondContact O-N 2.76Å
491S84.5Confident86.8Confident68 Ų6855.4 Ų55.448%0.47630%0.298SS..THydrogen-bonded Turntrans-85.4-8.4-174.366.30000114.8L488 A489 D493L488-S491 PolarHBondContact O-N 3.09Å; L488-S491 PolarHBondContact O-OG 3.19Å; A489-S491 VanDerWaalsContact C-N 3.26Å; A489-S491 PolarHBondContact O-N 3.45Å; S491-D493 PolarHBondContact O-N 3.2Å
492G69.7Low86.7Confident35 Ų3557.3 Ų57.336%0.36131%0.309SS..SBendtrans79.3-42.4174.700000115.5
493D66.4Low86.6Confident171 Ų17157.6 Ų57.691%0.91431%0.311SS*.SBendtrans-9710.6-170.3-68.6-27.7000114.8S491S491-D493 PolarHBondContact O-N 3.2Å
494S66.9Low86.5Confident36 Ų3662.2 Ų62.225%0.25234%0.339SS..SBendtrans-105.8152-173.5-164.30000112.9Y496 A497S494-Y496 PolarHBondContact O-N 3.41Å; S494-Y496 VanDerWaalsContact OG-CD2 3.26Å; S494-Y496 WeakPolarHBondContact OG-CD2 3.45Å; S494-A497 WeakPolarHBondContact O-CB 3.49Å; S494-A497 PolarHBondContact O-N 3.49Å
495Q76Confident86.5Confident132 Ų13259.7 Ų59.762%0.61733%0.332SS*.G310 helixtrans-51.3-26168.765.4-175.15.400113A497 A498Q495-A497 VanDerWaalsContact C-N 3.32Å; Q495-A497 PolarHBondContact O-N 3.24Å; Q495-A498 WeakPolarHBondContact O-CB 3.35Å; Q495-A498 PolarHBondContact O-N 3.18Å
496Y75.3Confident86.4Confident57 Ų5762.3 Ų62.322%0.22435%0.345CS..G310 helixtrans-75.1-15.6177.2-59.8-73000114.1R441 L488 A489 S494 H501R441-Y496 PolarHBondContact NH1-O 3.27Å; L488-Y496 HydrophobicContact CB-CD2 3.88Å; L488-Y496 HydrophobicContact CB-CG 4.05Å; L488-Y496 HydrophobicContact CD1-CD2 3.79Å; L488-Y496 HydrophobicContact CD1-CE2 3.82Å; L488-Y496 HydrophobicContact CD1-CG 4.34Å; L488-Y496 HydrophobicContact CG-CD2 4.39Å; A489-Y496 VanDerWaalsContact CB-O 3.28Å; A489-Y496 WeakPolarHBondContact CB-O 3.49Å; S494-Y496 PolarHBondContact O-N 3.41Å; S494-Y496 VanDerWaalsContact OG-CD2 3.26Å; S494-Y496 WeakPolarHBondContact OG-CD2 3.45Å; Y496-H501 AromaticContact CD1-CD2 3.7Å; Y496-H501 AromaticContact CD1-NE2 3.21Å; Y496-H501 WeakPolarHBondContact CD1-NE2 3.24Å; Y496-H501 AromaticContact CE1-NE2 3.5Å
497A83.3Confident86Confident15 Ų1571.1 Ų71.112%0.12439%0.386CS..G310 helixtrans-86-7.1173.800000112.9L445 W450 S494 Q495L445-A497 WeakPolarHBondContact CD1-O 3.12Å; W450-A497 HydrophobicContact CZ3-CB 4.16Å; S494-A497 WeakPolarHBondContact O-CB 3.49Å; S494-A497 PolarHBondContact O-N 3.49Å; Q495-A497 VanDerWaalsContact C-N 3.32Å; Q495-A497 PolarHBondContact O-N 3.24Å
498A89.3Confident85.7Confident49 Ų4969.2 Ų69.241%0.40538%0.38SS..SBendtrans-64.3137.4176.100000111.4R441 Q495 D500 H501R441-A498 PolarHBondContact NH1-O 3.14Å; R441-A498 PolarHBondContact NH2-O 2.73Å; R441-A498 VanDerWaalsContact NH2-O 3.12Å; Q495-A498 WeakPolarHBondContact O-CB 3.35Å; Q495-A498 PolarHBondContact O-N 3.18Å; A498-D500 VanDerWaalsContact C-N 3.28Å; A498-D500 PolarHBondContact O-N 3.31Å; A498-H501 HydrophobicContact CB-CB 4.05Å; A498-H501 PolarHBondContact O-N 2.59Å
499F89.1Confident85.1Confident107 Ų10774.5 Ų74.547%0.46941%0.409SS..THydrogen-bonded Turntrans-60.6-37.5-177.7-173.7-96.6000112.4R441 K442 A446R441-F499 PolarHBondContact NH2-O 2.82Å; K442-F499 HydrophobicContact CB-CD2 4.18Å; K442-F499 HydrophobicContact CB-CE2 3.63Å; K442-F499 HydrophobicContact CB-CZ 4.06Å; K442-F499 HydrophobicContact CD-CE1 4.19Å; K442-F499 HydrophobicContact CD-CE2 4.31Å; K442-F499 HydrophobicContact CD-CZ 4.03Å; K442-F499 WeakPolarHBondContact CE-O 3.46Å; K442-F499 HydrophobicContact CG-CD2 4.25Å; K442-F499 HydrophobicContact CG-CE2 4.04Å; K442-F499 HydrophobicContact CG-CZ 4.28Å; A446-F499 HydrophobicContact CB-CE2 4.4Å
500D91.4Very high84.5Confident133 Ų13378.6 Ų78.671%0.71143%0.427SS*.THydrogen-bonded Turntrans-81.3-16.4-178.1-62-43.5000114.1A498 N502A498-D500 VanDerWaalsContact C-N 3.28Å; A498-D500 PolarHBondContact O-N 3.31Å; D500-N502 PolarHBondContact O-N 3.18Å
501H91.3Very high83.4Confident68 Ų6883.5 Ų83.532%0.31546%0.461SS..  trans-76.5105.9-179.3-175.682.2000111.7R441 Y496 A498R441-H501 PolarHBondContact NE-O 3.05Å; R441-H501 PolarHBondContact NH1-O 3.18Å; R441-H501 PolarHBondContact NH2-O 3.28Å; Y496-H501 AromaticContact CD1-CD2 3.7Å; Y496-H501 AromaticContact CD1-NE2 3.21Å; Y496-H501 WeakPolarHBondContact CD1-NE2 3.24Å; Y496-H501 AromaticContact CE1-NE2 3.5Å; A498-H501 HydrophobicContact CB-CB 4.05Å; A498-H501 PolarHBondContact O-N 2.59Å
502N94.6Very high81.6Confident73 Ų7389.2 Ų89.239%0.3950%0.501SS..PPolyproline II helixtrans-87.6141.2176.6-67.8-42.1000112N438 K442 D500 V504N438-N502 WeakPolarHBondContact OD1-CA 3.42Å; K442-N502 WeakPolarHBondContact CE-OD1 3.23Å; K442-N502 PolarHBondContact NZ-OD1 3.41Å; D500-N502 PolarHBondContact O-N 3.18Å; N502-V504 PolarHBondContact O-N 3.28Å
503I94.8Very high82.2Confident7 Ų791.9 Ų91.94%0.03651%0.507CS..PPolyproline II helixtrans-69.7116.4166.6-52.1176.3000107.9Y434 L437 N438 Q485 L486Y434-I503 HydrophobicContact CD1-CB 4.39Å; Y434-I503 HydrophobicContact CD1-CG2 3.99Å; Y434-I503 WeakPolarHBondContact CD1-O 3.39Å; Y434-I503 HydrophobicContact CE1-CG2 3.71Å; L437-I503 HydrophobicContact CD2-CD1 3.98Å; L437-I503 HydrophobicContact CD2-CG2 4.49Å; L437-I503 HydrophobicContact CG-CD1 4.41Å; N438-I503 PolarHBondContact ND2-O 3.19Å; N438-I503 PolarHBondContact OD1-N 3.35Å; Q485-I503 HydrophobicContact CB-CD1 3.89Å; Q485-I503 HydrophobicContact CB-CG1 4.02Å; Q485-I503 HydrophobicContact CB-CG2 3.76Å; Q485-I503 HydrophobicContact CG-CG2 4.02Å; L486-I503 HydrophobicContact CD2-CD1 4.34Å; L486-I503 HydrophobicContact CG-CD1 4.07Å
504V94.6Very high83Confident96 Ų9687.7 Ų87.758%0.58249%0.486SS*.PPolyproline II helixtrans-96.8148.2176.9-66.20000111H481 N502H481-V504 PolarHBondContact CD2-O 2.98Å; H481-V504 PolarHBondContact NE2-O 3.17Å; N502-V504 PolarHBondContact O-N 3.28Å
505P94.1Very high83.9Confident52 Ų5290.6 Ų90.634%0.33850%0.499SS..PPolyproline II helixtrans-57.1148.7173-17.427.6000112.2T430 Y434T430-P505 HydrophobicContact CG2-CB 3.88Å; T430-P505 HydrophobicContact CG2-CG 3.87Å; Y434-P505 HydrophobicContact CD2-CB 4.02Å; Y434-P505 HydrophobicContact CD2-CG 3.6Å; Y434-P505 HydrophobicContact CE2-CB 3.68Å; Y434-P505 HydrophobicContact CE2-CG 3.82Å; Y434-P505 HydrophobicContact CG-CG 4Å
506M91.3Very high84.3Confident77 Ų7788.2 Ų88.238%0.37949%0.492SS..PPolyproline II helixtrans-72.5135.8171.1-174.5176.2-77.900108.9F477 Q478 H481 T508F477-M506 HydrophobicContact CB-SD 4.47Å; F477-M506 HydrophobicContact CD1-SD 4.36Å; Q478-M506 PolarHBondContact NE2-O 3.48Å; H481-M506 HydrophobicContact CB-CE 4.03Å; M506-T508 HydrophobicContact CG-CG2 4.2Å; M506-T508 PolarHBondContact O-N 3.35Å; M506-T508 HydrophobicContact SD-CG2 4.47Å
507H86.8Confident84.9Confident185 Ų18590.1 Ų90.186%0.85651%0.509SS*.PPolyproline II helixtrans-76.1119.3170-70.5-71.9000108.8
508T86.6Confident85Confident32 Ų3295.1 Ų95.120%0.19654%0.535CS..  trans-122.7142.8178.559.90000110.1D474 F477 M506 F510D474-T508 WeakPolarHBondContact OD1-CB 3.26Å; D474-T508 WeakPolarHBondContact OD1-CG2 3.15Å; D474-T508 PolarHBondContact OD1-OG1 2.88Å; F477-T508 HydrophobicContact CB-CG2 4.29Å; M506-T508 HydrophobicContact CG-CG2 4.2Å; M506-T508 PolarHBondContact O-N 3.35Å; M506-T508 HydrophobicContact SD-CG2 4.47Å; T508-F510 HydrophobicContact CG2-CD2 4.3Å; T508-F510 HydrophobicContact CG2-CE2 4.36Å; T508-F510 PolarHBondContact O-N 3.12Å
509D80.1Confident84.7Confident159 Ų15998.4 Ų98.485%0.8554%0.544SS*.THydrogen-bonded Turntrans-86.926.7-175.5-61.4-29.2000112.6S511D509-S511 VanDerWaalsContact C-N 3.31Å
510F78.3Confident84.4Confident88 Ų8897.8 Ų97.839%0.38655%0.55SS..THydrogen-bonded Turntrans-82.5-6.6-178.3-66.8-66.3000113.7P473 D474 F477 T508 S512P473-F510 HydrophobicContact CB-CD1 4.49Å; P473-F510 HydrophobicContact CB-CE1 4.12Å; P473-F510 HydrophobicContact CB-CZ 4.17Å; P473-F510 HydrophobicContact CG-CD1 3.94Å; P473-F510 HydrophobicContact CG-CE1 4.02Å; P473-F510 HydrophobicContact CG-CG 4.34Å; P473-F510 HydrophobicContact CG-CZ 4.49Å; D474-F510 HydrophobicContact CB-CD2 4.08Å; F477-F510 AromaticContact CD2-CE2 3.73Å; F477-F510 HydrophobicContact CD2-CE2 3.73Å; F477-F510 HydrophobicContact CD2-CZ 4.21Å; F477-F510 AromaticContact CE2-CE2 3.69Å; F477-F510 HydrophobicContact CE2-CE2 3.69Å; F477-F510 AromaticContact CE2-CZ 3.7Å; F477-F510 HydrophobicContact CE2-CZ 3.7Å; F477-F510 HydrophobicContact CZ-CZ 4.46Å; T508-F510 HydrophobicContact CG2-CD2 4.3Å; T508-F510 HydrophobicContact CG2-CE2 4.36Å; T508-F510 PolarHBondContact O-N 3.12Å; F510-S512 PolarHBondContact O-N 3.04Å
511S67.1Low83.8Confident114 Ų11494.8 Ų94.880%0.79754%0.536SS*.  trans-87.19117158.10000110.1D509D509-S511 VanDerWaalsContact C-N 3.31Å
512S46Very low83.1Confident187 Ų18797.3 Ų97.3100%1.30856%0.556SS**  trans-117.6016333.10000110.5F510F510-S512 PolarHBondContact O-N 3.04Å

Retrieved 512 of 512 residues in 294.2 ms (Link to these results)

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