A0A087X6C8_POEFO Loading...

Actin related protein 3B

AlphaFold DB , UniProt , Accession A0A087X6C8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low81.7Confident242 Ų24274.6 Ų74.6100%1.19240%0.396SS*.  0101.20-77.2172.417600106.1L3M1-L3 PolarHBondContact O-N 2.85Å
2T47.5Very low82.9Confident142 Ų14269.5 Ų69.587%0.87137%0.37SS*.  trans-58.4125.4166310000106.9Q4T2-Q4 PolarHBondContact O-N 3.06Å
3L56.5Low83.7Confident163 Ų16365.1 Ų65.185%0.85335%0.351SS*.  trans-64.4104.5174.3-89.2143.4000106.7M1 L5M1-L3 PolarHBondContact O-N 2.85Å; L3-L5 PolarHBondContact O-N 3.11Å; L3-L5 VanDerWaalsContact O-N 3.17Å
4Q76.2Confident84.3Confident132 Ų13261.7 Ų61.762%0.61733%0.334SS*.  trans-70.3110.9176.5-166.9163.316.300107.9T2 F391T2-Q4 PolarHBondContact O-N 3.06Å; Q4-F391 HydrophobicContact CG-CE1 4.15Å; Q4-F391 HydrophobicContact CG-CE2 4.41Å; Q4-F391 HydrophobicContact CG-CZ 3.89Å; Q4-F391 VanDerWaalsContact NE2-CZ 3.27Å
5L91.9Very high84.7Confident73 Ų7357.9 Ų57.938%0.38232%0.315SS..PPolyproline II helixtrans-66.8151.9177.7-65.1-178.2000110L3 D107 H108L3-L5 PolarHBondContact O-N 3.11Å; L3-L5 VanDerWaalsContact O-N 3.17Å; L5-D107 HydrophobicContact CD1-CB 3.97Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.32Å
6P95.6Very high85.4Confident58 Ų5858.9 Ų58.938%0.37731%0.314SS..PPolyproline II helixtrans-63.4137.7-178.726.1-34.3000110.5Y21 H108P6-Y21 HydrophobicContact CG-CD1 4.04Å; P6-Y21 HydrophobicContact CG-CG 4.22Å; P6-H108 PolarHBondContact O-ND1 3.23Å
7P97.4Very high86.1Confident5 Ų555.5 Ų55.53%0.03230%0.295CS..PPolyproline II helixtrans-58148.7174.5-28.936.9000113Y21 A22 S109 A385 F390 F391P7-Y21 WeakPolarHBondContact O-CA 3.41Å; P7-A22 HydrophobicContact CB-CB 4.16Å; P7-A22 HydrophobicContact CG-CB 4.42Å; P7-A22 WeakPolarHBondContact O-CB 3.49Å; P7-A22 PolarHBondContact O-N 3.4Å; P7-S109 CarbonylContact C-O 3.53Å; P7-S109 WeakPolarHBondContact CA-O 3.42Å; P7-S109 WeakPolarHBondContact CB-O 3.46Å; P7-A385 HydrophobicContact CB-CB 4.13Å; P7-A385 HydrophobicContact CG-CB 4.39Å; P7-A385 WeakPolarHBondContact CG-O 3.42Å; P7-F390 HydrophobicContact CB-CD1 4.46Å; P7-F390 HydrophobicContact CB-CE1 3.66Å; P7-F390 HydrophobicContact CB-CZ 4.13Å; P7-F390 HydrophobicContact CG-CD1 3.85Å; P7-F390 HydrophobicContact CG-CE1 3.45Å; P7-F390 VanDerWaalsContact CG-CE1 3.45Å; P7-F390 HydrophobicContact CG-CZ 4.38Å; P7-F391 HydrophobicContact CG-CE1 3.74Å; P7-F391 HydrophobicContact CG-CZ 3.53Å
8C98.4Very high86.7Confident0 Ų054.3 Ų54.30%029%0.287CS..EExtended strand (participates in β ladder)trans-82.5135.4171.1-68.10000109.7Y21 L101 S109 F110 L111C8-Y21 WeakPolarHBondContact SG-CE1 3.38Å; C8-L101 HydrophobicContact CB-CD1 4.18Å; C8-S109 PolarHBondContact N-O 2.92Å; C8-F110 HydrophobicContact CB-CD1 3.4Å; C8-F110 VanDerWaalsContact CB-CD1 3.4Å; C8-F110 HydrophobicContact CB-CD2 4.37Å; C8-F110 HydrophobicContact CB-CE1 3.34Å; C8-F110 HydrophobicContact CB-CE2 4.31Å; C8-F110 HydrophobicContact CB-CG 3.96Å; C8-F110 HydrophobicContact CB-CZ 3.83Å; C8-F110 CarbonylContact O-C 3.58Å; C8-F110 WeakPolarHBondContact O-CA 3.49Å; C8-L111 PolarHBondContact O-N 2.89Å
9V98.6Very high87.3Confident0 Ų051.4 Ų51.40%027%0.272CS..EExtended strand (participates in β ladder)trans-122120.3-179.2-176.90000109.4I19 G20 A22 L111 W378 A385V9-I19 WeakPolarHBondContact O-CA 3.01Å; V9-G20 PolarHBondContact N-O 3.34Å; V9-G20 PolarHBondContact O-N 3.1Å; V9-A22 HydrophobicContact CG2-CB 3.92Å; V9-L111 HydrophobicContact CG1-CD2 4.17Å; V9-L111 HydrophobicContact CG2-CB 4.35Å; V9-W378 HydrophobicContact CB-CZ2 4.43Å; V9-W378 HydrophobicContact CG1-CG 4.29Å; V9-W378 PolarHBondContact O-NE1 3.06Å; V9-A385 HydrophobicContact CG2-CB 4.16Å
10I98.3Very high87.9Confident0 Ų048.9 Ų48.90%026%0.258CS..EExtended strand (participates in β ladder)trans-130.5111.1-173-59.7174.6000108.9C12 T17 I19 M93 V96 L101 F110 L111 M112 T113I10-C12 VanDerWaalsContact CG2-SG 3.56Å; I10-T17 HydrophobicContact CG2-CG2 4.27Å; I10-I19 HydrophobicContact CB-CG2 4.36Å; I10-I19 HydrophobicContact CG1-CG2 4.07Å; I10-I19 HydrophobicContact CG2-CG2 3.99Å; I10-M93 HydrophobicContact CD1-CE 3.56Å; I10-M93 HydrophobicContact CD1-SD 4.5Å; I10-M93 HydrophobicContact CG2-CE 4.49Å; I10-M93 HydrophobicContact CG2-SD 4.35Å; I10-V96 HydrophobicContact CD1-CG1 3.72Å; I10-V96 HydrophobicContact CG1-CG1 4.32Å; I10-L101 HydrophobicContact CD1-CD1 4.18Å; I10-L101 HydrophobicContact CG1-CD1 4.44Å; I10-F110 HydrophobicContact CD1-CD1 3.87Å; I10-F110 HydrophobicContact CD1-CE1 3.95Å; I10-L111 PolarHBondContact N-O 3.03Å; I10-M112 HydrophobicContact CB-SD 3.64Å; I10-M112 HydrophobicContact CD1-SD 3.98Å; I10-M112 HydrophobicContact CG1-SD 4.29Å; I10-M112 HydrophobicContact CG2-CE 4.18Å; I10-M112 HydrophobicContact CG2-SD 3.93Å; I10-T113 PolarHBondContact O-N 3.17Å
11D97.8Very high88.4Confident6 Ų648.2 Ų48.23%0.03225%0.253CS..EExtended strand (participates in β ladder)trans-101.5102.7172.7170.634.9000109.9T17 K18 T113 V377 W378D11-T17 CarbonylContact O-C 3.59Å; D11-T17 VanDerWaalsContact O-CA 3.25Å; D11-T17 WeakPolarHBondContact O-CA 3.3Å; D11-K18 HydrophobicContact CB-CB 4.46Å; D11-K18 HydrophobicContact CB-CD 4.14Å; D11-K18 PolarHBondContact N-O 3Å; D11-K18 PolarHBondContact O-N 3.28Å; D11-K18 WeakPolarHBondContact OD2-CD 3.36Å; D11-K18 IonicContact OD2-NZ 3.08Å; D11-K18 PolarHBondContact OD2-NZ 3.16Å; D11-T113 WeakPolarHBondContact CA-OG1 2.85Å; D11-T113 HydrophobicContact CB-CG2 3.94Å; D11-T113 PolarHBondContact OD1-OG1 2.78Å; D11-V377 HydrophobicContact CB-CG1 4.34Å; D11-W378 HydrophobicContact CB-CB 4.1Å
12C95.8Very high91.1Very high13 Ų1337.1 Ų37.19%0.08820%0.199CC..EExtended strand (participates in β ladder)trans-91.5101.2-179.7-72.20000110.8I10 I78 T113I10-C12 VanDerWaalsContact CG2-SG 3.56Å; C12-I78 HydrophobicContact CB-CD1 3.72Å; C12-T113 PolarHBondContact N-OG1 3.44Å
13G93.1Very high93.3Very high12 Ų1232.8 Ų32.812%0.12418%0.183CC..  trans-95.7171.1175.800000113.3G15 Y16 S33 I78G13-G15 PolarHBondContact O-N 2.69Å; G13-Y16 WeakPolarHBondContact CA-O 3.33Å; G13-Y16 PolarHBondContact N-O 2.94Å; G13-S33 VanDerWaalsContact O-CB 3.23Å; G13-S33 WeakPolarHBondContact O-CB 3.35Å; G13-S33 PolarHBondContact O-OG 3.11Å; G13-I78 WeakPolarHBondContact O-CD1 3.16Å
14T91.8Very high95.2Very high18 Ų1828.2 Ų28.211%0.1116%0.159CC..SBendtrans-64.6-38.3174.1-54.20000113.3G81T14-G81 PolarHBondContact OG1-N 2.9Å
15G91.2Very high96.1Very high5 Ų525.7 Ų25.75%0.05215%0.153CC..SBendtrans-101.4-38.4-178.200000113.4G13 P32 S33G13-G15 PolarHBondContact O-N 2.69Å; G15-P32 WeakPolarHBondContact O-CA 3.22Å; G15-S33 PolarHBondContact O-N 3.12Å
16Y94.9Very high96.3Very high74 Ų7427.8 Ų27.829%0.2916%0.161SC..EExtended strand (participates in β ladder)trans-141.6136.2-173.6-60.5-91.9000112G13 K18 I30 M31 P32 S33 K225G13-Y16 WeakPolarHBondContact CA-O 3.33Å; G13-Y16 PolarHBondContact N-O 2.94Å; Y16-K18 WeakPolarHBondContact O-CE 3.33Å; Y16-K18 PolarHBondContact O-NZ 2.6Å; Y16-I30 HydrophobicContact CD1-CG2 4.18Å; Y16-I30 HydrophobicContact CG-CG2 4.46Å; Y16-M31 CarbonylContact C-O 3.51Å; Y16-M31 VanDerWaalsContact CA-O 3.23Å; Y16-M31 WeakPolarHBondContact CA-O 3.36Å; Y16-P32 HydrophobicContact CE1-CG 4.38Å; Y16-S33 VanDerWaalsContact CA-OG 3.25Å; Y16-S33 WeakPolarHBondContact CA-OG 3.29Å; Y16-S33 PolarHBondContact N-OG 2.99Å; Y16-K225 WeakPolarHBondContact OH-CE 3.22Å; Y16-K225 PolarHBondContact OH-NZ 2.87Å
17T97.4Very high96.4Very high0 Ų025.7 Ų25.70%015%0.148CC..EExtended strand (participates in β ladder)trans-98.1132.3170.7-57.10000108.3I10 D11 I19 I30 M31 S33 F92I10-T17 HydrophobicContact CG2-CG2 4.27Å; D11-T17 CarbonylContact O-C 3.59Å; D11-T17 VanDerWaalsContact O-CA 3.25Å; D11-T17 WeakPolarHBondContact O-CA 3.3Å; T17-I19 HydrophobicContact CG2-CG2 3.7Å; T17-I30 WeakPolarHBondContact O-CA 3.23Å; T17-M31 PolarHBondContact N-O 3.21Å; T17-M31 PolarHBondContact O-N 3.18Å; T17-S33 PolarHBondContact N-OG 2.8Å; T17-S33 PolarHBondContact OG1-OG 3.13Å; T17-F92 HydrophobicContact CG2-CE1 3.99Å; T17-F92 HydrophobicContact CG2-CZ 4.29Å; T17-F92 WeakPolarHBondContact OG1-CZ 3.48Å
18K98.1Very high96.4Very high34 Ų3429.6 Ų29.615%0.14817%0.165CC..EExtended strand (participates in β ladder)trans-114.3128.5173.7-49.995-167.3165.40108.7D11 Y16 P27 F29 I30 W378D11-K18 HydrophobicContact CB-CB 4.46Å; D11-K18 HydrophobicContact CB-CD 4.14Å; D11-K18 PolarHBondContact N-O 3Å; D11-K18 PolarHBondContact O-N 3.28Å; D11-K18 WeakPolarHBondContact OD2-CD 3.36Å; D11-K18 IonicContact OD2-NZ 3.08Å; D11-K18 PolarHBondContact OD2-NZ 3.16Å; Y16-K18 WeakPolarHBondContact O-CE 3.33Å; Y16-K18 PolarHBondContact O-NZ 2.6Å; K18-P27 HydrophobicContact CB-CB 3.8Å; K18-P27 HydrophobicContact CB-CG 4.03Å; K18-P27 HydrophobicContact CG-CG 4.39Å; K18-F29 WeakPolarHBondContact CA-O 3.48Å; K18-I30 HydrophobicContact CB-CG1 4.32Å; K18-I30 HydrophobicContact CG-CB 4.38Å; K18-I30 HydrophobicContact CG-CD1 4.37Å; K18-I30 HydrophobicContact CG-CG1 3.84Å; K18-I30 HydrophobicContact CG-CG2 4.1Å; K18-W378 HydrophobicContact CB-CB 4.28Å; K18-W378 HydrophobicContact CB-CG 4.11Å; K18-W378 VanDerWaalsContact O-CD1 3.29Å
19I97.9Very high96.4Very high0 Ų033.7 Ų33.70%018%0.183CC..EExtended strand (participates in β ladder)trans-132.2146-174.262171.1000110.5V9 I10 T17 Q28 F29 M31 V96 Y100 L101V9-I19 WeakPolarHBondContact O-CA 3.01Å; I10-I19 HydrophobicContact CB-CG2 4.36Å; I10-I19 HydrophobicContact CG1-CG2 4.07Å; I10-I19 HydrophobicContact CG2-CG2 3.99Å; T17-I19 HydrophobicContact CG2-CG2 3.7Å; I19-Q28 PolarHBondContact O-N 2.58Å; I19-F29 HydrophobicContact CD1-CB 4.05Å; I19-F29 HydrophobicContact CD1-CD2 3.97Å; I19-F29 HydrophobicContact CD1-CG 4.36Å; I19-F29 HydrophobicContact CG1-CB 3.69Å; I19-F29 HydrophobicContact CG1-CD2 4.03Å; I19-F29 HydrophobicContact CG1-CG 4.33Å; I19-F29 PolarHBondContact N-O 2.63Å; I19-F29 PolarHBondContact O-N 2.64Å; I19-F29 VanDerWaalsContact O-N 3.11Å; I19-M31 HydrophobicContact CD1-CE 3.49Å; I19-M31 VanDerWaalsContact CD1-CE 3.49Å; I19-M31 HydrophobicContact CG1-CE 4.14Å; I19-M31 HydrophobicContact CG2-CE 4.29Å; I19-V96 HydrophobicContact CB-CG1 4.44Å; I19-V96 HydrophobicContact CD1-CG1 4.07Å; I19-V96 HydrophobicContact CG2-CG1 3.82Å; I19-Y100 VanDerWaalsContact CD1-CB 3.49Å; I19-Y100 HydrophobicContact CD1-CG 4.18Å; I19-L101 HydrophobicContact CB-CD2 4.3Å; I19-L101 HydrophobicContact CD1-CD2 4.43Å; I19-L101 HydrophobicContact CD1-CG 4.3Å; I19-L101 HydrophobicContact CG1-CD2 4.49Å
20G98.3Very high96.3Very high0 Ų036.8 Ų36.80%020%0.199CC..EExtended strand (participates in β ladder)trans171.2-175.3166.600000112.6V9V9-G20 PolarHBondContact N-O 3.34Å; V9-G20 PolarHBondContact O-N 3.1Å
21Y98.1Very high96.1Very high35 Ų3537 Ų3714%0.13720%0.2CC..EExtended strand (participates in β ladder)trans-85.7145.5176.6-62.8-77.4000112.7P6 P7 C8 N24 L101 A103 H108P6-Y21 HydrophobicContact CG-CD1 4.04Å; P6-Y21 HydrophobicContact CG-CG 4.22Å; P7-Y21 WeakPolarHBondContact O-CA 3.41Å; C8-Y21 WeakPolarHBondContact SG-CE1 3.38Å; Y21-N24 WeakPolarHBondContact O-CB 3.29Å; Y21-N24 PolarHBondContact O-ND2 3.4Å; Y21-L101 HydrophobicContact CE2-CD2 4.45Å; Y21-L101 PolarHBondContact OH-O 2.67Å; Y21-A103 HydrophobicContact CE1-CB 4.38Å; Y21-A103 WeakPolarHBondContact OH-CB 3.36Å; Y21-H108 AromaticContact CE1-CE1 3.45Å; Y21-H108 VanDerWaalsContact CE1-CE1 3.45Å; Y21-H108 WeakPolarHBondContact CE1-CE1 3.37Å; Y21-H108 AromaticContact CE1-ND1 3.7Å
22A97.4Very high96Very high9 Ų937 Ų377%0.07420%0.201CC..THydrogen-bonded Turntrans-57.3148.2171.100000111.6P7 V9 N24 A385P7-A22 HydrophobicContact CB-CB 4.16Å; P7-A22 HydrophobicContact CG-CB 4.42Å; P7-A22 WeakPolarHBondContact O-CB 3.49Å; P7-A22 PolarHBondContact O-N 3.4Å; V9-A22 HydrophobicContact CG2-CB 3.92Å; A22-N24 VanDerWaalsContact C-N 3.28Å; A22-A385 HydrophobicContact CB-CB 3.7Å
23G94.8Very high96.1Very high51 Ų5136.4 Ų36.453%0.52620%0.197SC..THydrogen-bonded Turntrans92.5-17.4-177.600000113.1S382 S386G23-S382 PolarHBondContact N-O 3.12Å; G23-S382 PolarHBondContact N-OG 3.12Å; G23-S386 WeakPolarHBondContact CA-OG 3.4Å; G23-S386 PolarHBondContact N-OG 3.3Å
24N96.3Very high96.2Very high67 Ų6735.9 Ų35.936%0.35819%0.191SC..  trans-78.6145.2171.8-67-48.5000111.4Y21 A22 W378 S382Y21-N24 WeakPolarHBondContact O-CB 3.29Å; Y21-N24 PolarHBondContact O-ND2 3.4Å; A22-N24 VanDerWaalsContact C-N 3.28Å; N24-W378 HydrophobicContact CB-CH2 3.99Å; N24-W378 WeakPolarHBondContact O-CZ3 3.35Å; N24-S382 PolarHBondContact N-OG 3.26Å; N24-S382 PolarHBondContact O-OG 3.4Å
25T95.3Very high96.4Very high79 Ų7935 Ų3549%0.48519%0.186SC..SBendtrans-75.3-33.9179.2-54.80000112.7M372 Y375 F379T25-M372 HydrophobicContact CG2-CE 3.11Å; T25-M372 HydrophobicContact CG2-SD 4.44Å; T25-Y375 VanDerWaalsContact O-CE2 3.31Å; T25-Y375 WeakPolarHBondContact O-CE2 3.22Å; T25-F379 HydrophobicContact CG2-CE2 4.33Å; T25-F379 VanDerWaalsContact O-CD2 3.27Å; T25-F379 WeakPolarHBondContact O-CD2 3.48Å
26E96.2Very high96.6Very high117 Ų11734.8 Ų34.855%0.54718%0.183SC..SBendtrans-126.5150-178.9-47.3-154.9130.100109.7Y375 W378E26-Y375 HydrophobicContact CG-CE1 4.5Å; E26-Y375 VanDerWaalsContact CG-OH 3.3Å; E26-Y375 WeakPolarHBondContact CG-OH 3.11Å; E26-Y375 PolarHBondContact OE1-OH 2.87Å; E26-W378 VanDerWaalsContact C-CH2 3.42Å; E26-W378 WeakPolarHBondContact O-CH2 3.39Å; E26-W378 WeakPolarHBondContact O-CZ3 3.23Å
27P97.3Very high96.5Very high15 Ų1533.1 Ų33.110%0.09718%0.179CC..  trans-61.3142.617326.8-34.7000110.2K18 F29 I30 Y375 W378K18-P27 HydrophobicContact CB-CB 3.8Å; K18-P27 HydrophobicContact CB-CG 4.03Å; K18-P27 HydrophobicContact CG-CG 4.39Å; P27-F29 VanDerWaalsContact C-N 3.29Å; P27-I30 HydrophobicContact CB-CG1 4.25Å; P27-I30 HydrophobicContact CG-CD1 3.74Å; P27-I30 HydrophobicContact CG-CG1 3.55Å; P27-Y375 HydrophobicContact CG-CG 4.49Å; P27-W378 HydrophobicContact CB-CD2 3.74Å; P27-W378 HydrophobicContact CB-CE3 4.08Å; P27-W378 HydrophobicContact CB-CG 4.18Å; P27-W378 HydrophobicContact CB-CH2 4.45Å; P27-W378 HydrophobicContact CB-CZ2 4.13Å; P27-W378 HydrophobicContact CB-CZ3 4.43Å; P27-W378 HydrophobicContact CG-CD2 4.34Å; P27-W378 HydrophobicContact CG-CE3 4.35Å; P27-W378 VanDerWaalsContact N-CZ3 3.25Å
28Q97.2Very high95.9Very high87 Ų8738.5 Ų38.541%0.40720%0.202SC..SBendtrans-69.5-33.5178-70.4166.4-69.500111.2I19I19-Q28 PolarHBondContact O-N 2.58Å
29F97.7Very high94.6Very high86 Ų8643 Ų4338%0.37722%0.224SC..EExtended strand (participates in β ladder)trans-136.2140.7174.3-52.8-87.2000110.8K18 I19 P27 Y100K18-F29 WeakPolarHBondContact CA-O 3.48Å; I19-F29 HydrophobicContact CD1-CB 4.05Å; I19-F29 HydrophobicContact CD1-CD2 3.97Å; I19-F29 HydrophobicContact CD1-CG 4.36Å; I19-F29 HydrophobicContact CG1-CB 3.69Å; I19-F29 HydrophobicContact CG1-CD2 4.03Å; I19-F29 HydrophobicContact CG1-CG 4.33Å; I19-F29 PolarHBondContact N-O 2.63Å; I19-F29 PolarHBondContact O-N 2.64Å; I19-F29 VanDerWaalsContact O-N 3.11Å; P27-F29 VanDerWaalsContact C-N 3.29Å; F29-Y100 HydrophobicContact CD1-CD1 4.11Å; F29-Y100 HydrophobicContact CD2-CD1 4.5Å; F29-Y100 HydrophobicContact CE1-CD1 4.31Å; F29-Y100 WeakPolarHBondContact CE2-O 3.35Å; F29-Y100 HydrophobicContact CG-CD1 4.21Å
30I96.7Very high92.6Very high64 Ų6448.4 Ų48.433%0.32826%0.262SS..EExtended strand (participates in β ladder)trans-123.7116.3166.7-57.8177.9000105.4Y16 T17 K18 P27Y16-I30 HydrophobicContact CD1-CG2 4.18Å; Y16-I30 HydrophobicContact CG-CG2 4.46Å; T17-I30 WeakPolarHBondContact O-CA 3.23Å; K18-I30 HydrophobicContact CB-CG1 4.32Å; K18-I30 HydrophobicContact CG-CB 4.38Å; K18-I30 HydrophobicContact CG-CD1 4.37Å; K18-I30 HydrophobicContact CG-CG1 3.84Å; K18-I30 HydrophobicContact CG-CG2 4.1Å; P27-I30 HydrophobicContact CB-CG1 4.25Å; P27-I30 HydrophobicContact CG-CD1 3.74Å; P27-I30 HydrophobicContact CG-CG1 3.55Å
31M95.9Very high89.9Confident5 Ų552.1 Ų52.13%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-134.4152.9-175.962.7-173.9153.400111.4Y16 T17 I19 S33 I62 F92 V96 Y100Y16-M31 CarbonylContact C-O 3.51Å; Y16-M31 VanDerWaalsContact CA-O 3.23Å; Y16-M31 WeakPolarHBondContact CA-O 3.36Å; T17-M31 PolarHBondContact N-O 3.21Å; T17-M31 PolarHBondContact O-N 3.18Å; I19-M31 HydrophobicContact CD1-CE 3.49Å; I19-M31 VanDerWaalsContact CD1-CE 3.49Å; I19-M31 HydrophobicContact CG1-CE 4.14Å; I19-M31 HydrophobicContact CG2-CE 4.29Å; M31-S33 PolarHBondContact O-N 2.82Å; M31-I62 HydrophobicContact CE-CD1 3.98Å; M31-I62 HydrophobicContact SD-CD1 3.94Å; M31-I62 HydrophobicContact SD-CG1 4.3Å; M31-F92 HydrophobicContact CE-CZ 4.2Å; M31-V96 HydrophobicContact CE-CG2 3.63Å; M31-Y100 HydrophobicContact CE-CD2 4.32Å; M31-Y100 HydrophobicContact CE-CG 4.5Å; M31-Y100 HydrophobicContact SD-CD2 4.31Å; M31-Y100 HydrophobicContact SD-CE1 4.3Å; M31-Y100 HydrophobicContact SD-CE2 4.11Å
32P95.8Very high87.2Confident6 Ų656.3 Ų56.34%0.03933%0.327CS..EExtended strand (participates in β ladder)trans-53.3134.6171.6-25.833.4000112.2G15 Y16 C34 G63 D64 I67 W76G15-P32 WeakPolarHBondContact O-CA 3.22Å; Y16-P32 HydrophobicContact CE1-CG 4.38Å; P32-C34 PolarHBondContact O-N 3.48Å; P32-G63 WeakPolarHBondContact O-CA 3.29Å; P32-D64 WeakPolarHBondContact CD-OD1 3.47Å; P32-D64 VanDerWaalsContact CG-OD1 3.32Å; P32-D64 WeakPolarHBondContact CG-OD1 3.06Å; P32-I67 HydrophobicContact CB-CD1 3.93Å; P32-I67 HydrophobicContact CG-CD1 3.54Å; P32-I67 HydrophobicContact CG-CG1 4.45Å; P32-W76 HydrophobicContact CB-CH2 4.26Å; P32-W76 HydrophobicContact CB-CZ3 4.4Å
33S96.2Very high84.3Confident1 Ų163 Ų631%0.00736%0.36CS..SBendtrans-79.656.7177.9-55.60000111.4G13 G15 Y16 T17 M31G13-S33 VanDerWaalsContact O-CB 3.23Å; G13-S33 WeakPolarHBondContact O-CB 3.35Å; G13-S33 PolarHBondContact O-OG 3.11Å; G15-S33 PolarHBondContact O-N 3.12Å; Y16-S33 VanDerWaalsContact CA-OG 3.25Å; Y16-S33 WeakPolarHBondContact CA-OG 3.29Å; Y16-S33 PolarHBondContact N-OG 2.99Å; T17-S33 PolarHBondContact N-OG 2.8Å; T17-S33 PolarHBondContact OG1-OG 3.13Å; M31-S33 PolarHBondContact O-N 2.82Å
34C96.3Very high81.8Confident0 Ų063.9 Ų63.90%037%0.369CS..  trans-131.5154.7-179.570.60000111.5P32 I62 G63 T74 K75 W76P32-C34 PolarHBondContact O-N 3.48Å; C34-I62 WeakPolarHBondContact O-CA 3.48Å; C34-G63 PolarHBondContact O-N 2.94Å; C34-G63 VanDerWaalsContact O-N 3.16Å; C34-T74 HydrophobicContact CB-CG2 3.78Å; C34-K75 VanDerWaalsContact CA-O 3.26Å; C34-K75 WeakPolarHBondContact CA-O 3.46Å; C34-K75 WeakPolarHBondContact CB-O 3.23Å; C34-W76 HydrophobicContact CB-CD2 3.74Å; C34-W76 HydrophobicContact CB-CE3 3.68Å; C34-W76 HydrophobicContact CB-CG 4.45Å; C34-W76 HydrophobicContact CB-CH2 3.8Å; C34-W76 HydrophobicContact CB-CZ2 3.87Å; C34-W76 HydrophobicContact CB-CZ3 3.71Å
35I96.3Very high79.1Confident0 Ų067.3 Ų67.30%038%0.383CS..EExtended strand (participates in β ladder)trans-130.9132.9177.9-176.4169.8000108.7I37 F60 Y61 I62 K75 L88 K91I35-I37 HydrophobicContact CD1-CG2 4.27Å; I35-I37 HydrophobicContact CG1-CG2 4.07Å; I35-F60 HydrophobicContact CD1-CB 4.28Å; I35-F60 HydrophobicContact CD1-CD2 3.56Å; I35-F60 HydrophobicContact CD1-CE2 4.07Å; I35-F60 HydrophobicContact CD1-CG 4.04Å; I35-F60 HydrophobicContact CG1-CB 4.21Å; I35-F60 HydrophobicContact CG1-CD2 3.9Å; I35-F60 HydrophobicContact CG1-CG 4.38Å; I35-Y61 CarbonylContact C-O 3.54Å; I35-Y61 VanDerWaalsContact CA-O 3.32Å; I35-Y61 WeakPolarHBondContact CA-O 3.18Å; I35-I62 HydrophobicContact CB-CG2 4.19Å; I35-I62 HydrophobicContact CD1-CG2 4.31Å; I35-I62 HydrophobicContact CG1-CG2 4Å; I35-K75 HydrophobicContact CG2-CB 4.19Å; I35-K75 PolarHBondContact N-O 3.43Å; I35-K75 PolarHBondContact O-N 3.34Å; I35-L88 HydrophobicContact CD1-CD2 4.33Å; I35-L88 HydrophobicContact CG2-CB 4.11Å; I35-L88 HydrophobicContact CG2-CD1 4.08Å; I35-L88 HydrophobicContact CG2-CD2 4.1Å; I35-L88 HydrophobicContact CG2-CG 4.34Å; I35-K91 HydrophobicContact CD1-CB 3.78Å
36A95.4Very high76.5Confident0 Ų072.9 Ų72.90%040%0.403CS..EExtended strand (participates in β ladder)trans-103118.5176.500000108.9F60 Y61 A66 K69 Y72 A73A36-F60 VanDerWaalsContact O-CA 3.23Å; A36-F60 WeakPolarHBondContact O-CA 3.42Å; A36-F60 VanDerWaalsContact O-CB 3.32Å; A36-F60 WeakPolarHBondContact O-CB 3.48Å; A36-Y61 PolarHBondContact N-O 2.95Å; A36-Y61 PolarHBondContact O-N 3.01Å; A36-Y61 VanDerWaalsContact O-N 3.1Å; A36-A66 HydrophobicContact CB-CB 3.63Å; A36-K69 HydrophobicContact CB-CB 4.34Å; A36-Y72 HydrophobicContact CB-CD1 4.42Å; A36-Y72 HydrophobicContact CB-CG 4.37Å; A36-A73 WeakPolarHBondContact CA-O 3.27Å
37I91.6Very high73.9Confident40 Ų4070.1 Ų70.121%0.20540%0.401CS..EExtended strand (participates in β ladder)trans-118.5152-179.658.5165.9000110.3I35 E39 F60 Y72 A73 K75 L88I35-I37 HydrophobicContact CD1-CG2 4.27Å; I35-I37 HydrophobicContact CG1-CG2 4.07Å; I37-E39 PolarHBondContact O-N 3.27Å; I37-F60 HydrophobicContact CG2-CB 4.17Å; I37-Y72 CarbonylContact O-C 3.57Å; I37-Y72 WeakPolarHBondContact O-CA 3.34Å; I37-A73 PolarHBondContact N-O 3.49Å; I37-A73 VanDerWaalsContact N-O 3.13Å; I37-A73 PolarHBondContact O-N 2.89Å; I37-K75 HydrophobicContact CD1-CG 4.1Å; I37-K75 HydrophobicContact CG1-CG 4.08Å; I37-L88 HydrophobicContact CD1-CD2 4.25Å; I37-L88 HydrophobicContact CG2-CD2 3.95Å
38K85.7Confident71.3Confident112 Ų11275.3 Ų75.349%0.48742%0.423SS..  trans-69.4122.5168.6-79.6-179.7169.8166.20109.5S40 D59 Y72K38-S40 PolarHBondContact O-N 3.25Å; K38-D59 WeakPolarHBondContact CD-OD2 3.42Å; K38-D59 WeakPolarHBondContact CE-OD2 3.37Å; K38-D59 IonicContact NZ-OD2 3.42Å; K38-D59 PolarHBondContact NZ-OD2 2.87Å; K38-Y72 HydrophobicContact CD-CE1 4.48Å; K38-Y72 HydrophobicContact CG-CD1 4.02Å; K38-Y72 HydrophobicContact CG-CE1 3.7Å
39E70.4Confident68.8Low129 Ų12982.3 Ų82.360%0.60345%0.446SS*.  trans-72.9109.5166.7-86.4178.8178.500108.5I37 A41 A73 K75I37-E39 PolarHBondContact O-N 3.27Å; E39-A41 PolarHBondContact O-N 3.07Å; E39-A41 VanDerWaalsContact O-N 3.07Å; E39-A73 VanDerWaalsContact CD-CB 3.43Å; E39-A73 HydrophobicContact CG-CB 3.58Å; E39-A73 VanDerWaalsContact OE1-CB 3.24Å; E39-A73 WeakPolarHBondContact OE1-CB 3.2Å; E39-K75 IonicContact OE1-NZ 3.29Å; E39-K75 PolarHBondContact OE1-NZ 3.49Å
40S56.6Low66.2Low113 Ų11388.6 Ų88.679%0.7947%0.468SS*.  trans-62.7110.3163.756.30000107.3K38 S42K38-S40 PolarHBondContact O-N 3.25Å; S40-S42 PolarHBondContact O-N 3.2Å
41A41.5Very low63.7Low79 Ų7992 Ų9265%0.65349%0.486SS*.  trans-49.1114.6-178.400000110.8E39 I43E39-A41 PolarHBondContact O-N 3.07Å; E39-A41 VanDerWaalsContact O-N 3.07Å; A41-I43 PolarHBondContact O-N 2.69Å
42S40Very low61.5Low123 Ų12395.4 Ų95.486%0.8652%0.515SS*.  trans-7967.5173.851.40000110S40S40-S42 PolarHBondContact O-N 3.2Å
43I38Very low59.4Low150 Ų150105.9 Ų105.977%0.76955%0.553SS**SBendtrans-127.395.2165-57.2178.9000107.6A41A41-I43 PolarHBondContact O-N 2.69Å
44G41.2Very low57.8Low69 Ų69109.4 Ų109.471%0.71159%0.59SS**SBendtrans39.190.5156.300000117.5
45E40.1Very low56.2Low138 Ų138114.1 Ų114.165%0.64562%0.619SS**  trans-166.7114141.7-112.1168.1-16100110.4A47 Q48E45-A47 HydrophobicContact CB-CB 4.27Å; E45-A47 HydrophobicContact CG-CB 4.36Å; E45-A47 PolarHBondContact O-N 2.87Å; E45-Q48 PolarHBondContact O-N 3.49Å; E45-Q48 VanDerWaalsContact O-N 3.11Å
46Q40.4Very low54.8Low196 Ų196119.7 Ų119.792%0.91665%0.649SS**THydrogen-bonded Turntrans-57-5.7166.4-80.5177-24.600112.9
47A42.5Very low53.6Low60 Ų60124.9 Ų124.950%0.49668%0.676SS.*THydrogen-bonded Turntrans-79.7-27.2174.800000114E45E45-A47 HydrophobicContact CB-CB 4.27Å; E45-A47 HydrophobicContact CG-CB 4.36Å; E45-A47 PolarHBondContact O-N 2.87Å
48Q42.6Very low52.9Low123 Ų123127.4 Ų127.458%0.57569%0.69SS**G310 helixtrans-81.7-19.2-174.8-105.4176.6-1700114.7E45 R50 L51E45-Q48 PolarHBondContact O-N 3.49Å; E45-Q48 VanDerWaalsContact O-N 3.11Å; Q48-R50 PolarHBondContact O-N 3.46Å; Q48-L51 PolarHBondContact O-N 2.81Å
49R43.2Very low53Low235 Ų235124.1 Ų124.189%0.88768%0.677SS**G310 helixtrans-63.3-12.6172.8-76.3-171.8-172.4-179.81.6113.7
50R43.8Very low54.1Low218 Ų218118.4 Ų118.482%0.82365%0.65SS**G310 helixtrans-93.9-7.6175.5-69.5-174.1178.7179.70.4114.1Q48Q48-R50 PolarHBondContact O-N 3.46Å
51L45.2Very low56Low135 Ų135116.1 Ų116.171%0.70763%0.625SS**THydrogen-bonded Turntrans-109.6-7.6-173.8-84.2158.1000114.9Q48 R53Q48-L51 PolarHBondContact O-N 2.81Å; L51-R53 PolarHBondContact O-N 2.94Å
52A49.6Very low58.6Low77 Ų77112.3 Ų112.364%0.63659%0.594SS**  trans-7275.7165.400000109.2
53R51.1Low61.2Low225 Ų225106.5 Ų106.585%0.84955%0.553SS**  trans-130.2112.4176.3-84.4-172.1169.1-172.2-3.1109.1L51L51-R53 PolarHBondContact O-N 2.94Å
54G62.4Low63.8Low76 Ų76104.7 Ų104.778%0.78455%0.545SS*.SBendtrans141.9-83.9160.700000113.4
55V62.2Low66.3Low99 Ų99105.3 Ų105.360%0.653%0.529SS*.SBendtrans-136.9-3.1-160.1-134.30000113.8D57 L58V55-D57 PolarHBondContact O-N 3.02Å; V55-L58 HydrophobicContact CG1-CB 4.34Å; V55-L58 HydrophobicContact CG1-CD1 3.66Å; V55-L58 HydrophobicContact CG1-CG 4.42Å; V55-L58 WeakPolarHBondContact O-CB 3.42Å; V55-L58 PolarHBondContact O-N 3.33Å
56D67.7Low68.8Low117 Ų11798.8 Ų98.863%0.62650%0.499SS*.G310 helixtrans-62.2-24.6-179.7-72.8-24.1000112.2L58 D59D56-L58 PolarHBondContact O-N 3.43Å; D56-D59 PolarHBondContact O-N 3.22Å
57D70.4Confident71.2Confident108 Ų10892.8 Ų92.858%0.57847%0.472SS*.G310 helixtrans-70.2-21.8177.3-142.142.2000113.3V55 F60 K91V55-D57 PolarHBondContact O-N 3.02Å; D57-F60 VanDerWaalsContact O-CD1 3.29Å; D57-F60 WeakPolarHBondContact O-CD1 3.49Å; D57-K91 VanDerWaalsContact CG-CE 3.47Å; D57-K91 VanDerWaalsContact CG-NZ 3.32Å; D57-K91 VanDerWaalsContact OD1-CE 3.23Å; D57-K91 WeakPolarHBondContact OD1-CE 3.44Å; D57-K91 IonicContact OD1-NZ 2.63Å; D57-K91 PolarHBondContact OD1-NZ 3.26Å; D57-K91 WeakPolarHBondContact OD2-CE 3.2Å; D57-K91 IonicContact OD2-NZ 3.82Å
58L77.4Confident73.1Confident93 Ų9396.9 Ų96.949%0.48749%0.486SS..G310 helixtrans-93.8-7.5178.8-60.3172.7000112.8V55 D56 F60 E94V55-L58 HydrophobicContact CG1-CB 4.34Å; V55-L58 HydrophobicContact CG1-CD1 3.66Å; V55-L58 HydrophobicContact CG1-CG 4.42Å; V55-L58 WeakPolarHBondContact O-CB 3.42Å; V55-L58 PolarHBondContact O-N 3.33Å; D56-L58 PolarHBondContact O-N 3.43Å; L58-F60 VanDerWaalsContact C-N 3.34Å; L58-F60 PolarHBondContact O-N 3.33Å; L58-F60 VanDerWaalsContact O-N 3.1Å; L58-E94 WeakPolarHBondContact CD2-OE1 3.39Å
59D88Confident75.3Confident43 Ų4394 Ų9423%0.2347%0.471CS..  trans-87.174.5179.1-170.56.9000111.1K38 D56 Y72K38-D59 WeakPolarHBondContact CD-OD2 3.42Å; K38-D59 WeakPolarHBondContact CE-OD2 3.37Å; K38-D59 IonicContact NZ-OD2 3.42Å; K38-D59 PolarHBondContact NZ-OD2 2.87Å; D56-D59 PolarHBondContact O-N 3.22Å; D59-Y72 VanDerWaalsContact CG-OH 3.23Å; D59-Y72 PolarHBondContact OD1-OH 3.41Å; D59-Y72 PolarHBondContact OD2-OH 3.47Å
60F93.1Very high77.3Confident9 Ų987.2 Ų87.24%0.03946%0.458CS..EExtended strand (participates in β ladder)trans-141.5163.6175.565.7-88.7000111.7I35 A36 I37 D57 L58 I62 K91 E94 Q95I35-F60 HydrophobicContact CD1-CB 4.28Å; I35-F60 HydrophobicContact CD1-CD2 3.56Å; I35-F60 HydrophobicContact CD1-CE2 4.07Å; I35-F60 HydrophobicContact CD1-CG 4.04Å; I35-F60 HydrophobicContact CG1-CB 4.21Å; I35-F60 HydrophobicContact CG1-CD2 3.9Å; I35-F60 HydrophobicContact CG1-CG 4.38Å; A36-F60 VanDerWaalsContact O-CA 3.23Å; A36-F60 WeakPolarHBondContact O-CA 3.42Å; A36-F60 VanDerWaalsContact O-CB 3.32Å; A36-F60 WeakPolarHBondContact O-CB 3.48Å; I37-F60 HydrophobicContact CG2-CB 4.17Å; D57-F60 VanDerWaalsContact O-CD1 3.29Å; D57-F60 WeakPolarHBondContact O-CD1 3.49Å; L58-F60 VanDerWaalsContact C-N 3.34Å; L58-F60 PolarHBondContact O-N 3.33Å; L58-F60 VanDerWaalsContact O-N 3.1Å; F60-I62 HydrophobicContact CD2-CG2 4.05Å; F60-I62 HydrophobicContact CE2-CG2 4.1Å; F60-K91 HydrophobicContact CD1-CD 4.45Å; F60-K91 HydrophobicContact CE1-CB 4.08Å; F60-K91 HydrophobicContact CE1-CD 4.43Å; F60-K91 HydrophobicContact CE1-CG 4.28Å; F60-K91 HydrophobicContact CE2-CB 4.08Å; F60-K91 WeakPolarHBondContact CE2-O 3.26Å; F60-K91 HydrophobicContact CZ-CB 3.81Å; F60-K91 HydrophobicContact CZ-CG 4.46Å; F60-K91 WeakPolarHBondContact CZ-O 3.43Å; F60-E94 HydrophobicContact CZ-CB 4.49Å; F60-Q95 HydrophobicContact CD2-CG 4.41Å; F60-Q95 HydrophobicContact CE2-CB 4.26Å; F60-Q95 HydrophobicContact CE2-CG 3.55Å; F60-Q95 VanDerWaalsContact CE2-NE2 3.26Å; F60-Q95 HydrophobicContact CZ-CG 3.94Å; F60-Q95 PolarHBondContact O-NE2 3.17Å
61Y95.1Very high79.4Confident65 Ų6584.2 Ų84.226%0.25546%0.458SS..EExtended strand (participates in β ladder)trans-128.2149.9174.5-60-94.7000108.9I35 A36 E65 A66 K69 Y72I35-Y61 CarbonylContact C-O 3.54Å; I35-Y61 VanDerWaalsContact CA-O 3.32Å; I35-Y61 WeakPolarHBondContact CA-O 3.18Å; A36-Y61 PolarHBondContact N-O 2.95Å; A36-Y61 PolarHBondContact O-N 3.01Å; A36-Y61 VanDerWaalsContact O-N 3.1Å; Y61-E65 HydrophobicContact CD1-CB 4.18Å; Y61-A66 WeakPolarHBondContact O-CB 3.45Å; Y61-K69 HydrophobicContact CD2-CD 4.4Å; Y61-K69 HydrophobicContact CD2-CG 4.15Å; Y61-K69 HydrophobicContact CE2-CG 4.48Å; Y61-Y72 HydrophobicContact CD2-CD1 4.26Å; Y61-Y72 AromaticContact CD2-CE1 3.95Å; Y61-Y72 HydrophobicContact CD2-CE1 3.95Å; Y61-Y72 AromaticContact CE2-CE1 3.8Å; Y61-Y72 HydrophobicContact CE2-CE1 3.8Å; Y61-Y72 HydrophobicContact CE2-CE2 4.13Å; Y61-Y72 AromaticContact CE2-CZ 3.61Å
62I96.6Very high81.6Confident0 Ų079.8 Ų79.80%043%0.432CS..EExtended strand (participates in β ladder)trans-121.9165.6171.971.1166.6000111.5M31 C34 I35 F60 F92 Q95 V96 Y100M31-I62 HydrophobicContact CE-CD1 3.98Å; M31-I62 HydrophobicContact SD-CD1 3.94Å; M31-I62 HydrophobicContact SD-CG1 4.3Å; C34-I62 WeakPolarHBondContact O-CA 3.48Å; I35-I62 HydrophobicContact CB-CG2 4.19Å; I35-I62 HydrophobicContact CD1-CG2 4.31Å; I35-I62 HydrophobicContact CG1-CG2 4Å; F60-I62 HydrophobicContact CD2-CG2 4.05Å; F60-I62 HydrophobicContact CE2-CG2 4.1Å; I62-F92 HydrophobicContact CB-CD2 3.75Å; I62-F92 HydrophobicContact CB-CE2 3.77Å; I62-F92 HydrophobicContact CD1-CD2 4.12Å; I62-F92 HydrophobicContact CD1-CE1 4.48Å; I62-F92 HydrophobicContact CD1-CE2 3.96Å; I62-F92 HydrophobicContact CD1-CG 4.46Å; I62-F92 HydrophobicContact CD1-CZ 4.13Å; I62-F92 HydrophobicContact CG1-CE2 4.39Å; I62-F92 HydrophobicContact CG2-CB 4.44Å; I62-F92 HydrophobicContact CG2-CD2 3.57Å; I62-F92 HydrophobicContact CG2-CE2 4.13Å; I62-F92 HydrophobicContact CG2-CG 4.24Å; I62-Q95 HydrophobicContact CD1-CB 3.63Å; I62-Q95 HydrophobicContact CG1-CB 3.89Å; I62-Q95 HydrophobicContact CG2-CB 4.42Å; I62-V96 HydrophobicContact CD1-CG2 3.94Å; I62-Y100 HydrophobicContact CD1-CD2 4.01Å; I62-Y100 HydrophobicContact CD1-CE2 3.63Å; I62-Y100 HydrophobicContact CG1-CD2 4.41Å; I62-Y100 HydrophobicContact CG1-CE2 3.54Å
63G95.6Very high83.6Confident0 Ų076.8 Ų76.80%041%0.408CS..G310 helixtrans68.4-142.8173.400000113P32 C34 E65 A66P32-G63 WeakPolarHBondContact O-CA 3.29Å; C34-G63 PolarHBondContact O-N 2.94Å; C34-G63 VanDerWaalsContact O-N 3.16Å; G63-E65 PolarHBondContact O-N 2.91Å; G63-A66 WeakPolarHBondContact O-CB 3.47Å; G63-A66 PolarHBondContact O-N 3.1Å
64D92.6Very high85.7Confident112 Ų11268.3 Ų68.360%0.59938%0.381SS*.G310 helixtrans-64.3-29.2-177.3-60.7-53.5000112.4P32 A66 I67P32-D64 WeakPolarHBondContact CD-OD1 3.47Å; P32-D64 VanDerWaalsContact CG-OD1 3.32Å; P32-D64 WeakPolarHBondContact CG-OD1 3.06Å; D64-A66 PolarHBondContact O-N 3.38Å; D64-I67 PolarHBondContact O-N 3.4Å
65E92.8Very high87.3Confident83 Ų8368.1 Ų68.139%0.38836%0.359SS..G310 helixtrans-70.4-16.9176.8-65.3177.1-145.300113.1Y61 G63 K69 K99Y61-E65 HydrophobicContact CD1-CB 4.18Å; G63-E65 PolarHBondContact O-N 2.91Å; E65-K69 WeakPolarHBondContact O-CD 3.45Å; E65-K99 IonicContact OE1-NZ 2.58Å; E65-K99 PolarHBondContact OE1-NZ 3.03Å; E65-K99 IonicContact OE2-NZ 3.68Å; E65-K99 PolarHBondContact OE2-NZ 3.06Å
66A93.4Very high88.8Confident0 Ų067.1 Ų67.10%034%0.344CS..G310 helixtrans-89.3-17.2178.300000113.2A36 Y61 G63 D64 T74A36-A66 HydrophobicContact CB-CB 3.63Å; Y61-A66 WeakPolarHBondContact O-CB 3.45Å; G63-A66 WeakPolarHBondContact O-CB 3.47Å; G63-A66 PolarHBondContact O-N 3.1Å; D64-A66 PolarHBondContact O-N 3.38Å; A66-T74 PolarHBondContact O-OG1 3.37Å
67I89.3Confident90.1Very high71 Ų7161.7 Ų61.736%0.36432%0.315SS..THydrogen-bonded Turntrans-77.3129.7178.2-63.8-178.3000108.7P32 D64 K69P32-I67 HydrophobicContact CB-CD1 3.93Å; P32-I67 HydrophobicContact CG-CD1 3.54Å; P32-I67 HydrophobicContact CG-CG1 4.45Å; D64-I67 PolarHBondContact O-N 3.4Å; I67-K69 PolarHBondContact O-N 3.44Å
68D83.6Confident91.3Very high145 Ų14556.8 Ų56.878%0.77529%0.289SS*.THydrogen-bonded Turntrans55.125.2177-57.1-32.3000114.9P70D68-P70 VanDerWaalsContact O-CD 3.28Å; D68-P70 WeakPolarHBondContact O-CD 3.4Å
69K87.5Confident91.9Very high62 Ų6256.8 Ų56.827%0.2728%0.282SS..  trans-67.8117.8178.5-168.371.2167.6-154.80110.1A36 Y61 E65 I67 N71 Y72A36-K69 HydrophobicContact CB-CB 4.34Å; Y61-K69 HydrophobicContact CD2-CD 4.4Å; Y61-K69 HydrophobicContact CD2-CG 4.15Å; Y61-K69 HydrophobicContact CE2-CG 4.48Å; E65-K69 WeakPolarHBondContact O-CD 3.45Å; I67-K69 PolarHBondContact O-N 3.44Å; K69-N71 PolarHBondContact O-N 2.8Å; K69-Y72 HydrophobicContact CB-CD2 4.3Å; K69-Y72 HydrophobicContact CB-CG 4.47Å; K69-Y72 HydrophobicContact CG-CD2 3.54Å; K69-Y72 HydrophobicContact CG-CE2 4.1Å; K69-Y72 HydrophobicContact CG-CG 4.02Å; K69-Y72 PolarHBondContact O-N 3.46Å
70P86.3Confident91.8Very high94 Ų9460.6 Ų60.661%0.6130%0.299SS*.THydrogen-bonded Turntrans-62.9135.7-176.5-22.833.5000112.2D68 Y72D68-P70 VanDerWaalsContact O-CD 3.28Å; D68-P70 WeakPolarHBondContact O-CD 3.4Å; P70-Y72 VanDerWaalsContact C-N 3.27Å; P70-Y72 VanDerWaalsContact O-CD2 3.25Å; P70-Y72 WeakPolarHBondContact O-CD2 3.22Å; P70-Y72 PolarHBondContact O-N 3.1Å
71N88.1Confident91.5Very high154 Ų15460.8 Ų60.882%0.82430%0.303SS*.THydrogen-bonded Turntrans69.812.3-177.7-46.1-52.4000115.8K69K69-N71 PolarHBondContact O-N 2.8Å
72Y91.5Very high91.3Very high42 Ų4261.8 Ų61.817%0.16531%0.311CS..  trans-118.8150.9172.4-64.8-109.3000109.8A36 I37 K38 D59 Y61 K69 P70A36-Y72 HydrophobicContact CB-CD1 4.42Å; A36-Y72 HydrophobicContact CB-CG 4.37Å; I37-Y72 CarbonylContact O-C 3.57Å; I37-Y72 WeakPolarHBondContact O-CA 3.34Å; K38-Y72 HydrophobicContact CD-CE1 4.48Å; K38-Y72 HydrophobicContact CG-CD1 4.02Å; K38-Y72 HydrophobicContact CG-CE1 3.7Å; D59-Y72 VanDerWaalsContact CG-OH 3.23Å; D59-Y72 PolarHBondContact OD1-OH 3.41Å; D59-Y72 PolarHBondContact OD2-OH 3.47Å; Y61-Y72 HydrophobicContact CD2-CD1 4.26Å; Y61-Y72 AromaticContact CD2-CE1 3.95Å; Y61-Y72 HydrophobicContact CD2-CE1 3.95Å; Y61-Y72 AromaticContact CE2-CE1 3.8Å; Y61-Y72 HydrophobicContact CE2-CE1 3.8Å; Y61-Y72 HydrophobicContact CE2-CE2 4.13Å; Y61-Y72 AromaticContact CE2-CZ 3.61Å; K69-Y72 HydrophobicContact CB-CD2 4.3Å; K69-Y72 HydrophobicContact CB-CG 4.47Å; K69-Y72 HydrophobicContact CG-CD2 3.54Å; K69-Y72 HydrophobicContact CG-CE2 4.1Å; K69-Y72 HydrophobicContact CG-CG 4.02Å; K69-Y72 PolarHBondContact O-N 3.46Å; P70-Y72 VanDerWaalsContact C-N 3.27Å; P70-Y72 VanDerWaalsContact O-CD2 3.25Å; P70-Y72 WeakPolarHBondContact O-CD2 3.22Å; P70-Y72 PolarHBondContact O-N 3.1Å
73A91.9Very high91.3Very high15 Ų1562.9 Ų62.912%0.12432%0.318CS..EExtended strand (participates in β ladder)trans-98.9117.817100000109.4A36 I37 E39 K75A36-A73 WeakPolarHBondContact CA-O 3.27Å; I37-A73 PolarHBondContact N-O 3.49Å; I37-A73 VanDerWaalsContact N-O 3.13Å; I37-A73 PolarHBondContact O-N 2.89Å; E39-A73 VanDerWaalsContact CD-CB 3.43Å; E39-A73 HydrophobicContact CG-CB 3.58Å; E39-A73 VanDerWaalsContact OE1-CB 3.24Å; E39-A73 WeakPolarHBondContact OE1-CB 3.2Å; A73-K75 PolarHBondContact O-N 3.25Å
74T94.1Very high91.2Very high47 Ų4769.2 Ų69.229%0.28835%0.348SS..EExtended strand (participates in β ladder)trans-73.2120.5174.1-48.10000110C34 A66 W76C34-T74 HydrophobicContact CB-CG2 3.78Å; A66-T74 PolarHBondContact O-OG1 3.37Å; T74-W76 HydrophobicContact CG2-CZ2 4.49Å
75K95.3Very high91.4Very high71 Ų7166.8 Ų66.831%0.30934%0.335SS..EExtended strand (participates in β ladder)trans-113.7153.2176.3-53.7-61.7179.8-173.20109.9C34 I35 I37 E39 A73 L88C34-K75 VanDerWaalsContact CA-O 3.26Å; C34-K75 WeakPolarHBondContact CA-O 3.46Å; C34-K75 WeakPolarHBondContact CB-O 3.23Å; I35-K75 HydrophobicContact CG2-CB 4.19Å; I35-K75 PolarHBondContact N-O 3.43Å; I35-K75 PolarHBondContact O-N 3.34Å; I37-K75 HydrophobicContact CD1-CG 4.1Å; I37-K75 HydrophobicContact CG1-CG 4.08Å; E39-K75 IonicContact OE1-NZ 3.29Å; E39-K75 PolarHBondContact OE1-NZ 3.49Å; A73-K75 PolarHBondContact O-N 3.25Å; K75-L88 HydrophobicContact CB-CD1 3.68Å; K75-L88 HydrophobicContact CG-CD1 4.07Å
76W94.9Very high91.5Very high79 Ų7965.2 Ų65.230%0.29933%0.325SS..  trans-123.694-178.1-61.584.3000107.9P32 C34 T74 I78P32-W76 HydrophobicContact CB-CH2 4.26Å; P32-W76 HydrophobicContact CB-CZ3 4.4Å; C34-W76 HydrophobicContact CB-CD2 3.74Å; C34-W76 HydrophobicContact CB-CE3 3.68Å; C34-W76 HydrophobicContact CB-CG 4.45Å; C34-W76 HydrophobicContact CB-CH2 3.8Å; C34-W76 HydrophobicContact CB-CZ2 3.87Å; C34-W76 HydrophobicContact CB-CZ3 3.71Å; T74-W76 HydrophobicContact CG2-CZ2 4.49Å; W76-I78 PolarHBondContact O-N 3.04Å
77P95.8Very high91.5Very high3 Ų370.8 Ų70.82%0.01936%0.355CS..  trans-70-16.5-171.626.8-34000113.3E84 D85 L88P77-E84 PolarHBondContact O-N 3.49Å; P77-D85 HydrophobicContact CB-CB 4.44Å; P77-L88 HydrophobicContact CB-CB 4.01Å
78I94.6Very high91.8Very high4 Ų468 Ų682%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-109.5121.9179.8-55.2171.7000109.3C12 G13 W76 M82 V83 M89C12-I78 HydrophobicContact CB-CD1 3.72Å; G13-I78 WeakPolarHBondContact O-CD1 3.16Å; W76-I78 PolarHBondContact O-N 3.04Å; I78-M82 CarbonylContact C-O 3.59Å; I78-M82 VanDerWaalsContact CA-O 3.29Å; I78-M82 WeakPolarHBondContact CA-O 3.28Å; I78-V83 HydrophobicContact CG1-CG2 4.37Å; I78-M89 HydrophobicContact CD1-SD 4.13Å; I78-M89 HydrophobicContact CG1-SD 4.23Å
79R90Very high92.4Very high93 Ų9361.2 Ų61.235%0.35130%0.304SS..EExtended strand (participates in β ladder)trans-124.1132.9173.8-61.8-60.4-173.2164.52.4110G81 M82 E84R79-G81 PolarHBondContact O-N 3.01Å; R79-M82 PolarHBondContact N-O 3.16Å; R79-M82 PolarHBondContact O-N 2.82Å; R79-E84 VanDerWaalsContact CB-CD 3.48Å; R79-E84 HydrophobicContact CB-CG 4.03Å; R79-E84 WeakPolarHBondContact CB-OE1 3.25Å; R79-E84 VanDerWaalsContact CG-CD 3.42Å; R79-E84 HydrophobicContact CG-CG 4.16Å; R79-E84 WeakPolarHBondContact CG-OE2 3.32Å
80H85.2Confident92.8Very high124 Ų12461.2 Ų61.257%0.57431%0.305SS*.THydrogen-bonded Turntrans49.831.4-179.3-55.5-72.6000114.4
81G87.2Confident93.3Very high13 Ų1358.7 Ų58.713%0.13429%0.285CS..THydrogen-bonded Turntrans88.3-9.3179.800000115.1T14 R79 P115T14-G81 PolarHBondContact OG1-N 2.9Å; R79-G81 PolarHBondContact O-N 3.01Å; G81-P115 WeakPolarHBondContact O-CG 3.41Å
82M91.3Very high93.7Very high85 Ų8551.4 Ų51.442%0.41925%0.246SC..EExtended strand (participates in β ladder)trans-102.7145.8179.8-62.7-171.2-67.500111.3I78 R79 P115I78-M82 CarbonylContact C-O 3.59Å; I78-M82 VanDerWaalsContact CA-O 3.29Å; I78-M82 WeakPolarHBondContact CA-O 3.28Å; R79-M82 PolarHBondContact N-O 3.16Å; R79-M82 PolarHBondContact O-N 2.82Å; M82-P115 HydrophobicContact CG-CG 4.38Å
83V95.5Very high93.9Very high24 Ų2449.5 Ų49.515%0.14524%0.238CC..EExtended strand (participates in β ladder)trans-75.1122.3171.6-177.70000108.3I78 W86 M89I78-V83 HydrophobicContact CG1-CG2 4.37Å; V83-W86 HydrophobicContact CB-CD2 4.31Å; V83-W86 HydrophobicContact CB-CH2 4.15Å; V83-W86 HydrophobicContact CB-CZ2 3.9Å; V83-W86 HydrophobicContact CB-CZ3 4.45Å; V83-W86 HydrophobicContact CG1-CD2 3.71Å; V83-W86 HydrophobicContact CG1-CE3 3.94Å; V83-W86 HydrophobicContact CG1-CG 4.1Å; V83-W86 HydrophobicContact CG1-CH2 4.45Å; V83-W86 HydrophobicContact CG1-CZ2 4.23Å; V83-W86 HydrophobicContact CG1-CZ3 4.31Å; V83-W86 HydrophobicContact CG2-CH2 4.18Å; V83-W86 HydrophobicContact CG2-CZ2 4.41Å; V83-W86 HydrophobicContact CG2-CZ3 4.38Å; V83-M89 HydrophobicContact CG1-CB 3.75Å; V83-M89 HydrophobicContact CG1-CG 3.99Å; V83-M89 HydrophobicContact CG2-CG 4.17Å; V83-M89 HydrophobicContact CG2-SD 4.28Å
84E94.6Very high94.1Very high133 Ų13351.8 Ų51.862%0.62125%0.247SC*.SBendtrans-100.9-26.7175.8-70.2-169.5167.600112.5P77 R79P77-E84 PolarHBondContact O-N 3.49Å; R79-E84 VanDerWaalsContact CB-CD 3.48Å; R79-E84 HydrophobicContact CB-CG 4.03Å; R79-E84 WeakPolarHBondContact CB-OE1 3.25Å; R79-E84 VanDerWaalsContact CG-CD 3.42Å; R79-E84 HydrophobicContact CG-CG 4.16Å; R79-E84 WeakPolarHBondContact CG-OE2 3.32Å
85D95.7Very high94.2Very high61 Ų6150.8 Ų50.833%0.32624%0.239SC..  trans-128.4100.2-178.2-169-35.9000109.3P77 D87 L88 M89P77-D85 HydrophobicContact CB-CB 4.44Å; D85-D87 PolarHBondContact OD1-N 3.36Å; D85-L88 HydrophobicContact CB-CB 4.14Å; D85-L88 HydrophobicContact CB-CD1 4.19Å; D85-L88 HydrophobicContact CB-CG 4.3Å; D85-L88 VanDerWaalsContact CG-CG 3.46Å; D85-L88 WeakPolarHBondContact OD1-CG 3.12Å; D85-L88 PolarHBondContact OD1-N 3.13Å; D85-L88 VanDerWaalsContact OD2-CD1 3.24Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.41Å; D85-L88 WeakPolarHBondContact OD2-CG 3.39Å; D85-M89 WeakPolarHBondContact O-CB 3.38Å; D85-M89 PolarHBondContact O-N 3.37Å
86W95.8Very high94.3Very high50 Ų5047.4 Ų47.419%0.18922%0.224CC..Hα-helixtrans-73.7-33.7-176.3-73.5100.8000112.6V83 L88 M89 E90 N122 Y125 M126 I129V83-W86 HydrophobicContact CB-CD2 4.31Å; V83-W86 HydrophobicContact CB-CH2 4.15Å; V83-W86 HydrophobicContact CB-CZ2 3.9Å; V83-W86 HydrophobicContact CB-CZ3 4.45Å; V83-W86 HydrophobicContact CG1-CD2 3.71Å; V83-W86 HydrophobicContact CG1-CE3 3.94Å; V83-W86 HydrophobicContact CG1-CG 4.1Å; V83-W86 HydrophobicContact CG1-CH2 4.45Å; V83-W86 HydrophobicContact CG1-CZ2 4.23Å; V83-W86 HydrophobicContact CG1-CZ3 4.31Å; V83-W86 HydrophobicContact CG2-CH2 4.18Å; V83-W86 HydrophobicContact CG2-CZ2 4.41Å; V83-W86 HydrophobicContact CG2-CZ3 4.38Å; W86-L88 VanDerWaalsContact C-N 3.33Å; W86-L88 PolarHBondContact O-N 2.92Å; W86-M89 PolarHBondContact O-N 3.26Å; W86-M89 VanDerWaalsContact O-N 3.15Å; W86-E90 WeakPolarHBondContact O-CB 3.12Å; W86-E90 PolarHBondContact O-N 3.09Å; W86-N122 HydrophobicContact CH2-CB 4.28Å; W86-N122 WeakPolarHBondContact CH2-O 3.23Å; W86-N122 HydrophobicContact CZ2-CB 3.79Å; W86-Y125 AromaticContact CE2-CD2 3.92Å; W86-Y125 HydrophobicContact CZ2-CD2 4.15Å; W86-Y125 HydrophobicContact CZ2-CG 4.5Å; W86-Y125 AromaticContact NE1-CD2 3.8Å; W86-M126 HydrophobicContact CH2-CB 4.24Å; W86-M126 HydrophobicContact CH2-CE 4.2Å; W86-M126 HydrophobicContact CZ3-CB 4.2Å; W86-M126 HydrophobicContact CZ3-CE 4.01Å; W86-M126 HydrophobicContact CZ3-SD 4.48Å; W86-I129 HydrophobicContact CE3-CD1 3.67Å; W86-I129 HydrophobicContact CZ3-CD1 4.18Å
87D93.9Very high94.4Very high117 Ų11743.7 Ų43.763%0.62621%0.21SC*.Hα-helixtrans-61.9-44.1175.9-60.9-13.9000110.3D85 K91D85-D87 PolarHBondContact OD1-N 3.36Å; D87-K91 WeakPolarHBondContact O-CG 3.33Å; D87-K91 PolarHBondContact O-N 3.27Å
88L95.3Very high94.5Very high13 Ų1348.4 Ų48.47%0.06823%0.23CC..Hα-helixtrans-70.1-33.4174.9-69.8-174.1000112.7I35 I37 K75 P77 D85 W86 F92I35-L88 HydrophobicContact CD1-CD2 4.33Å; I35-L88 HydrophobicContact CG2-CB 4.11Å; I35-L88 HydrophobicContact CG2-CD1 4.08Å; I35-L88 HydrophobicContact CG2-CD2 4.1Å; I35-L88 HydrophobicContact CG2-CG 4.34Å; I37-L88 HydrophobicContact CD1-CD2 4.25Å; I37-L88 HydrophobicContact CG2-CD2 3.95Å; K75-L88 HydrophobicContact CB-CD1 3.68Å; K75-L88 HydrophobicContact CG-CD1 4.07Å; P77-L88 HydrophobicContact CB-CB 4.01Å; D85-L88 HydrophobicContact CB-CB 4.14Å; D85-L88 HydrophobicContact CB-CD1 4.19Å; D85-L88 HydrophobicContact CB-CG 4.3Å; D85-L88 VanDerWaalsContact CG-CG 3.46Å; D85-L88 WeakPolarHBondContact OD1-CG 3.12Å; D85-L88 PolarHBondContact OD1-N 3.13Å; D85-L88 VanDerWaalsContact OD2-CD1 3.24Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.41Å; D85-L88 WeakPolarHBondContact OD2-CG 3.39Å; W86-L88 VanDerWaalsContact C-N 3.33Å; W86-L88 PolarHBondContact O-N 2.92Å; L88-F92 VanDerWaalsContact O-CB 3.26Å; L88-F92 WeakPolarHBondContact O-CB 3.17Å; L88-F92 PolarHBondContact O-N 3.11Å
89M96.4Very high94.5Very high2 Ų251.8 Ų51.81%0.0125%0.245CC..Hα-helixtrans-67.3-41.2177-169.965.6-139.200111.6I78 V83 D85 W86 F92 M93I78-M89 HydrophobicContact CD1-SD 4.13Å; I78-M89 HydrophobicContact CG1-SD 4.23Å; V83-M89 HydrophobicContact CG1-CB 3.75Å; V83-M89 HydrophobicContact CG1-CG 3.99Å; V83-M89 HydrophobicContact CG2-CG 4.17Å; V83-M89 HydrophobicContact CG2-SD 4.28Å; D85-M89 WeakPolarHBondContact O-CB 3.38Å; D85-M89 PolarHBondContact O-N 3.37Å; W86-M89 PolarHBondContact O-N 3.26Å; W86-M89 VanDerWaalsContact O-N 3.15Å; M89-F92 HydrophobicContact CE-CD1 3.92Å; M89-F92 WeakPolarHBondContact O-CB 3.41Å; M89-F92 PolarHBondContact O-N 3.33Å; M89-M93 HydrophobicContact CE-CG 3.77Å; M89-M93 HydrophobicContact CE-SD 3.69Å; M89-M93 WeakPolarHBondContact O-CG 3.49Å; M89-M93 PolarHBondContact O-N 2.99Å
90E96.3Very high94.8Very high62 Ų6249 Ų4929%0.2923%0.234SC..Hα-helixtrans-60.5-49.5175.4-177.8172.9-159.900111.4W86 F92 M93 E94 I129 T133W86-E90 WeakPolarHBondContact O-CB 3.12Å; W86-E90 PolarHBondContact O-N 3.09Å; E90-F92 VanDerWaalsContact C-N 3.3Å; E90-F92 PolarHBondContact O-N 2.63Å; E90-M93 WeakPolarHBondContact O-CB 3.48Å; E90-M93 PolarHBondContact O-N 2.95Å; E90-M93 VanDerWaalsContact O-N 3.09Å; E90-E94 PolarHBondContact O-N 3.45Å; E90-I129 HydrophobicContact CB-CD1 4.04Å; E90-I129 HydrophobicContact CB-CG1 4.29Å; E90-I129 HydrophobicContact CB-CG2 4.38Å; E90-I129 HydrophobicContact CG-CG1 4.35Å; E90-I129 HydrophobicContact CG-CG2 4.07Å; E90-T133 WeakPolarHBondContact OE1-CB 3.44Å; E90-T133 VanDerWaalsContact OE1-CG2 3.23Å; E90-T133 WeakPolarHBondContact OE1-CG2 3.39Å; E90-T133 PolarHBondContact OE1-OG1 2.94Å
91K95Very high95.3Very high40 Ų4043.5 Ų43.517%0.17421%0.209CC..Hα-helixtrans-59.9-40.4173.7-70.5179.1-177.4179.50112.6I35 D57 F60 D87 M93 E94 Q95I35-K91 HydrophobicContact CD1-CB 3.78Å; D57-K91 VanDerWaalsContact CG-CE 3.47Å; D57-K91 VanDerWaalsContact CG-NZ 3.32Å; D57-K91 VanDerWaalsContact OD1-CE 3.23Å; D57-K91 WeakPolarHBondContact OD1-CE 3.44Å; D57-K91 IonicContact OD1-NZ 2.63Å; D57-K91 PolarHBondContact OD1-NZ 3.26Å; D57-K91 WeakPolarHBondContact OD2-CE 3.2Å; D57-K91 IonicContact OD2-NZ 3.82Å; F60-K91 HydrophobicContact CD1-CD 4.45Å; F60-K91 HydrophobicContact CE1-CB 4.08Å; F60-K91 HydrophobicContact CE1-CD 4.43Å; F60-K91 HydrophobicContact CE1-CG 4.28Å; F60-K91 HydrophobicContact CE2-CB 4.08Å; F60-K91 WeakPolarHBondContact CE2-O 3.26Å; F60-K91 HydrophobicContact CZ-CB 3.81Å; F60-K91 HydrophobicContact CZ-CG 4.46Å; F60-K91 WeakPolarHBondContact CZ-O 3.43Å; D87-K91 WeakPolarHBondContact O-CG 3.33Å; D87-K91 PolarHBondContact O-N 3.27Å; K91-M93 VanDerWaalsContact C-N 3.28Å; K91-M93 PolarHBondContact O-N 2.85Å; K91-E94 WeakPolarHBondContact O-CB 3.49Å; K91-E94 PolarHBondContact O-N 2.82Å; K91-Q95 PolarHBondContact O-N 3.5Å
92F96.6Very high95.8Very high2 Ų252.7 Ų52.71%0.00924%0.24CC..Hα-helixtrans-59.9-42.3175.9-177.4-83.7000111T17 M31 I62 L88 M89 E90 E94 Q95 V96T17-F92 HydrophobicContact CG2-CE1 3.99Å; T17-F92 HydrophobicContact CG2-CZ 4.29Å; T17-F92 WeakPolarHBondContact OG1-CZ 3.48Å; M31-F92 HydrophobicContact CE-CZ 4.2Å; I62-F92 HydrophobicContact CB-CD2 3.75Å; I62-F92 HydrophobicContact CB-CE2 3.77Å; I62-F92 HydrophobicContact CD1-CD2 4.12Å; I62-F92 HydrophobicContact CD1-CE1 4.48Å; I62-F92 HydrophobicContact CD1-CE2 3.96Å; I62-F92 HydrophobicContact CD1-CG 4.46Å; I62-F92 HydrophobicContact CD1-CZ 4.13Å; I62-F92 HydrophobicContact CG1-CE2 4.39Å; I62-F92 HydrophobicContact CG2-CB 4.44Å; I62-F92 HydrophobicContact CG2-CD2 3.57Å; I62-F92 HydrophobicContact CG2-CE2 4.13Å; I62-F92 HydrophobicContact CG2-CG 4.24Å; L88-F92 VanDerWaalsContact O-CB 3.26Å; L88-F92 WeakPolarHBondContact O-CB 3.17Å; L88-F92 PolarHBondContact O-N 3.11Å; M89-F92 HydrophobicContact CE-CD1 3.92Å; M89-F92 WeakPolarHBondContact O-CB 3.41Å; M89-F92 PolarHBondContact O-N 3.33Å; E90-F92 VanDerWaalsContact C-N 3.3Å; E90-F92 PolarHBondContact O-N 2.63Å; F92-E94 PolarHBondContact O-N 3.33Å; F92-Q95 PolarHBondContact O-N 3.15Å; F92-V96 HydrophobicContact CD1-CG2 3.81Å; F92-V96 HydrophobicContact CE1-CG2 3.5Å; F92-V96 VanDerWaalsContact CE1-CG2 3.5Å; F92-V96 HydrophobicContact CZ-CG2 4.26Å; F92-V96 WeakPolarHBondContact O-CG2 3.45Å; F92-V96 PolarHBondContact O-N 3.47Å; F92-V96 VanDerWaalsContact O-N 3.14Å
93M97.3Very high95.9Very high1 Ų148.9 Ų48.91%0.00522%0.222CC..Hα-helixtrans-65.4-34.8176.9-70.2-61.1-6800113.1I10 M89 E90 K91 Q95 V96 I97 M112 M130 F134I10-M93 HydrophobicContact CD1-CE 3.56Å; I10-M93 HydrophobicContact CD1-SD 4.5Å; I10-M93 HydrophobicContact CG2-CE 4.49Å; I10-M93 HydrophobicContact CG2-SD 4.35Å; M89-M93 HydrophobicContact CE-CG 3.77Å; M89-M93 HydrophobicContact CE-SD 3.69Å; M89-M93 WeakPolarHBondContact O-CG 3.49Å; M89-M93 PolarHBondContact O-N 2.99Å; E90-M93 WeakPolarHBondContact O-CB 3.48Å; E90-M93 PolarHBondContact O-N 2.95Å; E90-M93 VanDerWaalsContact O-N 3.09Å; K91-M93 VanDerWaalsContact C-N 3.28Å; K91-M93 PolarHBondContact O-N 2.85Å; M93-Q95 PolarHBondContact O-N 3.05Å; M93-V96 WeakPolarHBondContact O-CB 3.34Å; M93-V96 PolarHBondContact O-N 3Å; M93-V96 VanDerWaalsContact O-N 3.16Å; M93-I97 HydrophobicContact CE-CD1 4.43Å; M93-I97 WeakPolarHBondContact O-CG1 3.48Å; M93-I97 PolarHBondContact O-N 2.82Å; M93-M112 HydrophobicContact CE-CE 3.55Å; M93-M112 HydrophobicContact CE-SD 3.84Å; M93-M112 HydrophobicContact SD-CE 3.89Å; M93-M130 HydrophobicContact CE-CE 4.32Å; M93-M130 HydrophobicContact CE-SD 3.79Å; M93-F134 HydrophobicContact CB-CE2 3.62Å; M93-F134 HydrophobicContact CB-CZ 3.82Å
94E95.6Very high96Very high64 Ų6452.5 Ų52.530%0.29924%0.237SC..Hα-helixtrans-55.7-51.1176.4-171.5-171165.900111.3L58 F60 E90 K91 F92 I97 F98 F134L58-E94 WeakPolarHBondContact CD2-OE1 3.39Å; F60-E94 HydrophobicContact CZ-CB 4.49Å; E90-E94 PolarHBondContact O-N 3.45Å; K91-E94 WeakPolarHBondContact O-CB 3.49Å; K91-E94 PolarHBondContact O-N 2.82Å; F92-E94 PolarHBondContact O-N 3.33Å; E94-I97 PolarHBondContact O-N 3.05Å; E94-F98 HydrophobicContact CG-CD2 3.82Å; E94-F98 HydrophobicContact CG-CE2 4.22Å; E94-F98 VanDerWaalsContact O-CD2 3.29Å; E94-F98 WeakPolarHBondContact O-CD2 3.37Å; E94-F98 PolarHBondContact O-N 3.37Å; E94-F134 HydrophobicContact CB-CE1 4.29Å; E94-F134 HydrophobicContact CB-CZ 4.3Å
95Q95.7Very high96.1Very high26 Ų2646.4 Ų46.412%0.12121%0.209CC..Iπ-helixtrans-68.6-36.5176.5-78.4-168.12500112.3F60 I62 K91 F92 M93 I97 K99 Y100F60-Q95 HydrophobicContact CD2-CG 4.41Å; F60-Q95 HydrophobicContact CE2-CB 4.26Å; F60-Q95 HydrophobicContact CE2-CG 3.55Å; F60-Q95 VanDerWaalsContact CE2-NE2 3.26Å; F60-Q95 HydrophobicContact CZ-CG 3.94Å; F60-Q95 PolarHBondContact O-NE2 3.17Å; I62-Q95 HydrophobicContact CD1-CB 3.63Å; I62-Q95 HydrophobicContact CG1-CB 3.89Å; I62-Q95 HydrophobicContact CG2-CB 4.42Å; K91-Q95 PolarHBondContact O-N 3.5Å; F92-Q95 PolarHBondContact O-N 3.15Å; M93-Q95 PolarHBondContact O-N 3.05Å; Q95-I97 VanDerWaalsContact C-N 3.31Å; Q95-I97 PolarHBondContact O-N 2.96Å; Q95-K99 HydrophobicContact CB-CB 4.31Å; Q95-K99 HydrophobicContact CG-CB 4.5Å; Q95-K99 HydrophobicContact CG-CD 4.41Å; Q95-K99 WeakPolarHBondContact O-CA 3.27Å; Q95-K99 VanDerWaalsContact O-CB 3.22Å; Q95-K99 WeakPolarHBondContact O-CB 3.45Å; Q95-K99 PolarHBondContact O-N 2.99Å; Q95-Y100 HydrophobicContact CB-CE2 4.45Å; Q95-Y100 WeakPolarHBondContact O-CD2 3.44Å; Q95-Y100 PolarHBondContact O-N 3.15Å; Q95-Y100 VanDerWaalsContact O-N 3.1Å
96V97.3Very high96.2Very high0 Ų048.5 Ų48.50%022%0.217CC..Iπ-helixtrans-53.9-49.4174.3166.20000111I10 I19 M31 I62 F92 M93 L101I10-V96 HydrophobicContact CD1-CG1 3.72Å; I10-V96 HydrophobicContact CG1-CG1 4.32Å; I19-V96 HydrophobicContact CB-CG1 4.44Å; I19-V96 HydrophobicContact CD1-CG1 4.07Å; I19-V96 HydrophobicContact CG2-CG1 3.82Å; M31-V96 HydrophobicContact CE-CG2 3.63Å; I62-V96 HydrophobicContact CD1-CG2 3.94Å; F92-V96 HydrophobicContact CD1-CG2 3.81Å; F92-V96 HydrophobicContact CE1-CG2 3.5Å; F92-V96 VanDerWaalsContact CE1-CG2 3.5Å; F92-V96 HydrophobicContact CZ-CG2 4.26Å; F92-V96 WeakPolarHBondContact O-CG2 3.45Å; F92-V96 PolarHBondContact O-N 3.47Å; F92-V96 VanDerWaalsContact O-N 3.14Å; M93-V96 WeakPolarHBondContact O-CB 3.34Å; M93-V96 PolarHBondContact O-N 3Å; M93-V96 VanDerWaalsContact O-N 3.16Å; V96-L101 HydrophobicContact CG1-CD1 4.07Å; V96-L101 HydrophobicContact CG1-CG 4.48Å; V96-L101 WeakPolarHBondContact O-CB 3.41Å; V96-L101 WeakPolarHBondContact O-CG 3.45Å; V96-L101 PolarHBondContact O-N 3.08Å
97I97.6Very high96.2Very high0 Ų051 Ų510%023%0.234CC..Iπ-helixtrans-73.9-56.4-175.2-65.7170.1000110.7M93 E94 Q95 R102 A103 P105 F110 F134M93-I97 HydrophobicContact CE-CD1 4.43Å; M93-I97 WeakPolarHBondContact O-CG1 3.48Å; M93-I97 PolarHBondContact O-N 2.82Å; E94-I97 PolarHBondContact O-N 3.05Å; Q95-I97 VanDerWaalsContact C-N 3.31Å; Q95-I97 PolarHBondContact O-N 2.96Å; I97-R102 WeakPolarHBondContact O-CA 3.45Å; I97-R102 PolarHBondContact O-N 3.45Å; I97-A103 PolarHBondContact O-N 2.78Å; I97-P105 HydrophobicContact CG2-CB 4Å; I97-P105 HydrophobicContact CG2-CG 4.15Å; I97-F110 HydrophobicContact CD1-CE1 4.23Å; I97-F110 HydrophobicContact CD1-CZ 4.29Å; I97-F110 HydrophobicContact CG1-CE1 4.06Å; I97-F110 HydrophobicContact CG1-CZ 4.25Å; I97-F134 HydrophobicContact CD1-CB 4.26Å; I97-F134 HydrophobicContact CD1-CD1 3.83Å; I97-F134 HydrophobicContact CD1-CD2 3.76Å; I97-F134 HydrophobicContact CD1-CE1 4.1Å; I97-F134 HydrophobicContact CD1-CE2 4.01Å; I97-F134 HydrophobicContact CD1-CG 3.67Å; I97-F134 HydrophobicContact CD1-CZ 4.19Å
98F96.7Very high96.4Very high103 Ų10346.1 Ų46.145%0.45221%0.207SC..Iπ-helixtrans-85.2-34.9-168.9-63.7-67.2000113.8E94 P105 F134E94-F98 HydrophobicContact CG-CD2 3.82Å; E94-F98 HydrophobicContact CG-CE2 4.22Å; E94-F98 VanDerWaalsContact O-CD2 3.29Å; E94-F98 WeakPolarHBondContact O-CD2 3.37Å; E94-F98 PolarHBondContact O-N 3.37Å; F98-P105 HydrophobicContact CE1-CG 4.09Å; F98-P105 HydrophobicContact CZ-CG 3.96Å; F98-F134 HydrophobicContact CE2-CD1 4.06Å; F98-F134 AromaticContact CE2-CE1 4Å; F98-F134 HydrophobicContact CE2-CE1 4Å; F98-F134 HydrophobicContact CZ-CD1 4.46Å
99K95.8Very high96.5Very high74 Ų7446.3 Ų46.332%0.32221%0.21SC..Iπ-helixtrans-89.1-49.5-177.4-179.6-175.6174.5-169.20112.4E65 Q95 R102E65-K99 IonicContact OE1-NZ 2.58Å; E65-K99 PolarHBondContact OE1-NZ 3.03Å; E65-K99 IonicContact OE2-NZ 3.68Å; E65-K99 PolarHBondContact OE2-NZ 3.06Å; Q95-K99 HydrophobicContact CB-CB 4.31Å; Q95-K99 HydrophobicContact CG-CB 4.5Å; Q95-K99 HydrophobicContact CG-CD 4.41Å; Q95-K99 WeakPolarHBondContact O-CA 3.27Å; Q95-K99 VanDerWaalsContact O-CB 3.22Å; Q95-K99 WeakPolarHBondContact O-CB 3.45Å; Q95-K99 PolarHBondContact O-N 2.99Å; K99-R102 WeakPolarHBondContact O-CG 3.5Å
100Y96Very high96.6Very high34 Ų3446.2 Ų46.213%0.13321%0.21CC..Iπ-helixtrans-90.2-57.9-172.2-68.1-86.5000112.9I19 F29 M31 I62 Q95 R102I19-Y100 VanDerWaalsContact CD1-CB 3.49Å; I19-Y100 HydrophobicContact CD1-CG 4.18Å; F29-Y100 HydrophobicContact CD1-CD1 4.11Å; F29-Y100 HydrophobicContact CD2-CD1 4.5Å; F29-Y100 HydrophobicContact CE1-CD1 4.31Å; F29-Y100 WeakPolarHBondContact CE2-O 3.35Å; F29-Y100 HydrophobicContact CG-CD1 4.21Å; M31-Y100 HydrophobicContact CE-CD2 4.32Å; M31-Y100 HydrophobicContact CE-CG 4.5Å; M31-Y100 HydrophobicContact SD-CD2 4.31Å; M31-Y100 HydrophobicContact SD-CE1 4.3Å; M31-Y100 HydrophobicContact SD-CE2 4.11Å; I62-Y100 HydrophobicContact CD1-CD2 4.01Å; I62-Y100 HydrophobicContact CD1-CE2 3.63Å; I62-Y100 HydrophobicContact CG1-CD2 4.41Å; I62-Y100 HydrophobicContact CG1-CE2 3.54Å; Q95-Y100 HydrophobicContact CB-CE2 4.45Å; Q95-Y100 WeakPolarHBondContact O-CD2 3.44Å; Q95-Y100 PolarHBondContact O-N 3.15Å; Q95-Y100 VanDerWaalsContact O-N 3.1Å; Y100-R102 VanDerWaalsContact C-N 3.32Å
101L96.4Very high96.7Very high10 Ų1043.3 Ų43.35%0.05220%0.196CC..Iπ-helixtrans-67.8-36.9177.4-68.7175.1000111.1C8 I10 I19 Y21 V96 A103C8-L101 HydrophobicContact CB-CD1 4.18Å; I10-L101 HydrophobicContact CD1-CD1 4.18Å; I10-L101 HydrophobicContact CG1-CD1 4.44Å; I19-L101 HydrophobicContact CB-CD2 4.3Å; I19-L101 HydrophobicContact CD1-CD2 4.43Å; I19-L101 HydrophobicContact CD1-CG 4.3Å; I19-L101 HydrophobicContact CG1-CD2 4.49Å; Y21-L101 HydrophobicContact CE2-CD2 4.45Å; Y21-L101 PolarHBondContact OH-O 2.67Å; V96-L101 HydrophobicContact CG1-CD1 4.07Å; V96-L101 HydrophobicContact CG1-CG 4.48Å; V96-L101 WeakPolarHBondContact O-CB 3.41Å; V96-L101 WeakPolarHBondContact O-CG 3.45Å; V96-L101 PolarHBondContact O-N 3.08Å; L101-A103 HydrophobicContact CB-CB 4.21Å; L101-A103 PolarHBondContact O-N 2.97Å
102R96.8Very high96.8Very high206 Ų20641.5 Ų41.578%0.77719%0.188SC*.  trans55.639.9-171.5-54.8179.7174.1-175.1-3.8111I97 K99 Y100I97-R102 WeakPolarHBondContact O-CA 3.45Å; I97-R102 PolarHBondContact O-N 3.45Å; K99-R102 WeakPolarHBondContact O-CG 3.5Å; Y100-R102 VanDerWaalsContact C-N 3.32Å
103A94.7Very high96.9Very high5 Ų541.9 Ų41.94%0.04119%0.191CC..  trans-90.3141.4175.800000109.3Y21 I97 L101 P105Y21-A103 HydrophobicContact CE1-CB 4.38Å; Y21-A103 WeakPolarHBondContact OH-CB 3.36Å; I97-A103 PolarHBondContact O-N 2.78Å; L101-A103 HydrophobicContact CB-CB 4.21Å; L101-A103 PolarHBondContact O-N 2.97Å; A103-P105 WeakPolarHBondContact O-CD 3.17Å
104E96.9Very high96.7Very high100 Ų10042.2 Ų42.247%0.46719%0.192SC..  trans-77.9107.6159.3-17559.1-122.100106.9E106 D107 H108E104-E106 PolarHBondContact O-N 2.72Å; E104-E106 VanDerWaalsContact O-N 3.13Å; E104-D107 HydrophobicContact CB-CB 4.37Å; E104-D107 PolarHBondContact O-N 2.91Å; E104-H108 PolarHBondContact O-CD2 2.86Å
105P96.9Very high96.6Very high4 Ų439.8 Ų39.83%0.02618%0.182CC..G310 helixtrans-61.1-28-169.224.9-35.1000113.2I97 F98 A103 D107 H108 F110 F134 V136 P137I97-P105 HydrophobicContact CG2-CB 4Å; I97-P105 HydrophobicContact CG2-CG 4.15Å; F98-P105 HydrophobicContact CE1-CG 4.09Å; F98-P105 HydrophobicContact CZ-CG 3.96Å; A103-P105 WeakPolarHBondContact O-CD 3.17Å; P105-D107 PolarHBondContact O-N 2.9Å; P105-H108 PolarHBondContact O-N 2.81Å; P105-F110 HydrophobicContact CB-CE2 4.31Å; P105-F110 HydrophobicContact CB-CZ 4.34Å; P105-F134 HydrophobicContact CB-CB 4.14Å; P105-F134 VanDerWaalsContact CB-O 3.27Å; P105-F134 WeakPolarHBondContact CB-O 3.41Å; P105-F134 HydrophobicContact CG-CB 4.44Å; P105-F134 VanDerWaalsContact CG-O 3.3Å; P105-F134 WeakPolarHBondContact CG-O 3.36Å; P105-V136 HydrophobicContact CB-CG1 4.09Å; P105-P137 WeakPolarHBondContact O-CD 3.43Å
106E97Very high96.1Very high105 Ų10539.5 Ų39.549%0.49118%0.183SC..G310 helixtrans-66.2-19.5176.9-57.5-165.8-177.500113.6E104 N135 P137E104-E106 PolarHBondContact O-N 2.72Å; E104-E106 VanDerWaalsContact O-N 3.13Å; E106-N135 HydrophobicContact CG-CB 3.66Å; E106-N135 WeakPolarHBondContact OE1-CB 3.28Å; E106-N135 PolarHBondContact OE1-ND2 2.82Å; E106-P137 WeakPolarHBondContact O-CD 3.49Å; E106-P137 WeakPolarHBondContact O-CG 3.32Å
107D96.6Very high95.7Very high103 Ų10343.7 Ų43.755%0.55121%0.205SC*.G310 helixtrans-96.6-7-178.2-71.6-27000113.6L5 E104 P105L5-D107 HydrophobicContact CD1-CB 3.97Å; E104-D107 HydrophobicContact CB-CB 4.37Å; E104-D107 PolarHBondContact O-N 2.91Å; P105-D107 PolarHBondContact O-N 2.9Å
108H97.2Very high95.5Very high14 Ų1444.8 Ų44.87%0.06521%0.21CC..  trans-127.1132.7-171-70-98.9000113.1L5 P6 Y21 E104 P105 F110 P137L5-H108 WeakPolarHBondContact CD1-NE2 3.32Å; P6-H108 PolarHBondContact O-ND1 3.23Å; Y21-H108 AromaticContact CE1-CE1 3.45Å; Y21-H108 VanDerWaalsContact CE1-CE1 3.45Å; Y21-H108 WeakPolarHBondContact CE1-CE1 3.37Å; Y21-H108 AromaticContact CE1-ND1 3.7Å; E104-H108 PolarHBondContact O-CD2 2.86Å; P105-H108 PolarHBondContact O-N 2.81Å; H108-F110 HydrophobicContact CB-CE2 4.02Å; H108-F110 WeakPolarHBondContact O-CD2 3.49Å; H108-F110 VanDerWaalsContact O-CE2 3.28Å; H108-F110 WeakPolarHBondContact O-CE2 3.33Å; H108-P137 VanDerWaalsContact O-CD 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.34Å; H108-P137 WeakPolarHBondContact O-CG 3.5Å
109S97.5Very high95.4Very high18 Ų1842.5 Ų42.513%0.12621%0.205CC..  trans-73.8150.5163.7-55.40000110.9P7 C8 G138P7-S109 CarbonylContact C-O 3.53Å; P7-S109 WeakPolarHBondContact CA-O 3.42Å; P7-S109 WeakPolarHBondContact CB-O 3.46Å; C8-S109 PolarHBondContact N-O 2.92Å; S109-G138 CarbonylContact C-O 3.48Å; S109-G138 VanDerWaalsContact CA-O 3.32Å; S109-G138 WeakPolarHBondContact CA-O 3.33Å
110F98.3Very high95.4Very high0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-118.7132.6-177.6-76.5-105.4000112.2C8 I10 I97 P105 H108 M130 V136 G138 L139 Y140C8-F110 HydrophobicContact CB-CD1 3.4Å; C8-F110 VanDerWaalsContact CB-CD1 3.4Å; C8-F110 HydrophobicContact CB-CD2 4.37Å; C8-F110 HydrophobicContact CB-CE1 3.34Å; C8-F110 HydrophobicContact CB-CE2 4.31Å; C8-F110 HydrophobicContact CB-CG 3.96Å; C8-F110 HydrophobicContact CB-CZ 3.83Å; C8-F110 CarbonylContact O-C 3.58Å; C8-F110 WeakPolarHBondContact O-CA 3.49Å; I10-F110 HydrophobicContact CD1-CD1 3.87Å; I10-F110 HydrophobicContact CD1-CE1 3.95Å; I97-F110 HydrophobicContact CD1-CE1 4.23Å; I97-F110 HydrophobicContact CD1-CZ 4.29Å; I97-F110 HydrophobicContact CG1-CE1 4.06Å; I97-F110 HydrophobicContact CG1-CZ 4.25Å; P105-F110 HydrophobicContact CB-CE2 4.31Å; P105-F110 HydrophobicContact CB-CZ 4.34Å; H108-F110 HydrophobicContact CB-CE2 4.02Å; H108-F110 WeakPolarHBondContact O-CD2 3.49Å; H108-F110 VanDerWaalsContact O-CE2 3.28Å; H108-F110 WeakPolarHBondContact O-CE2 3.33Å; F110-M130 HydrophobicContact CB-CE 3.68Å; F110-M130 HydrophobicContact CD1-CE 3.43Å; F110-M130 VanDerWaalsContact CD1-CE 3.43Å; F110-M130 HydrophobicContact CD2-CE 3.96Å; F110-M130 HydrophobicContact CE1-CE 4Å; F110-M130 HydrophobicContact CE2-CE 4.48Å; F110-M130 HydrophobicContact CG-CE 3.41Å; F110-M130 VanDerWaalsContact CG-CE 3.41Å; F110-M130 HydrophobicContact CZ-CE 4.49Å; F110-V136 HydrophobicContact CD2-CB 3.86Å; F110-V136 HydrophobicContact CD2-CG1 3.45Å; F110-V136 VanDerWaalsContact CD2-CG1 3.45Å; F110-V136 HydrophobicContact CE2-CB 4.18Å; F110-V136 HydrophobicContact CE2-CG1 3.44Å; F110-V136 VanDerWaalsContact CE2-CG1 3.44Å; F110-V136 HydrophobicContact CG-CG1 4.31Å; F110-V136 HydrophobicContact CZ-CG1 4.29Å; F110-G138 PolarHBondContact N-O 3.38Å; F110-L139 HydrophobicContact CB-CD1 4.09Å; F110-L139 WeakPolarHBondContact O-CA 3.28Å; F110-Y140 PolarHBondContact O-N 3.05Å
111L98.6Very high95.5Very high0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-102.2112.9163.2-170.5155.2000108.6C8 V9 I10 T113 Y140 A142 L147 A385 F390C8-L111 PolarHBondContact O-N 2.89Å; V9-L111 HydrophobicContact CG1-CD2 4.17Å; V9-L111 HydrophobicContact CG2-CB 4.35Å; I10-L111 PolarHBondContact N-O 3.03Å; L111-T113 HydrophobicContact CD2-CG2 4.36Å; L111-Y140 WeakPolarHBondContact CA-O 3.48Å; L111-Y140 HydrophobicContact CD1-CD1 4.22Å; L111-Y140 HydrophobicContact CG-CD1 4.19Å; L111-A142 HydrophobicContact CD2-CB 3.95Å; L111-A142 HydrophobicContact CG-CB 4.3Å; L111-L147 HydrophobicContact CD2-CD1 4.04Å; L111-A385 HydrophobicContact CB-CB 4.43Å; L111-A385 HydrophobicContact CD1-CB 4.02Å; L111-F390 HydrophobicContact CB-CE2 4.02Å; L111-F390 HydrophobicContact CB-CZ 4.17Å; L111-F390 HydrophobicContact CD1-CD2 4.48Å; L111-F390 HydrophobicContact CD1-CE2 3.96Å; L111-F390 HydrophobicContact CG-CE2 4.35Å
112M98.1Very high95.5Very high2 Ų243.8 Ų43.81%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-103.1153.8172.8-63.8-65.5-76.500109.6I10 M93 M126 M130 L139 Y140 I141 A142I10-M112 HydrophobicContact CB-SD 3.64Å; I10-M112 HydrophobicContact CD1-SD 3.98Å; I10-M112 HydrophobicContact CG1-SD 4.29Å; I10-M112 HydrophobicContact CG2-CE 4.18Å; I10-M112 HydrophobicContact CG2-SD 3.93Å; M93-M112 HydrophobicContact CE-CE 3.55Å; M93-M112 HydrophobicContact CE-SD 3.84Å; M93-M112 HydrophobicContact SD-CE 3.89Å; M112-M126 HydrophobicContact CE-CE 3.98Å; M112-M126 HydrophobicContact CE-SD 3.44Å; M112-M126 WeakPolarHBondContact CE-SD 3.32Å; M112-M130 HydrophobicContact SD-CE 4.48Å; M112-L139 HydrophobicContact CB-CD1 4.44Å; M112-L139 HydrophobicContact CG-CD1 3.73Å; M112-Y140 PolarHBondContact N-O 3.07Å; M112-I141 HydrophobicContact CB-CG1 4.48Å; M112-I141 CarbonylContact O-C 3.59Å; M112-I141 WeakPolarHBondContact O-CA 3.5Å; M112-A142 PolarHBondContact O-N 3.16Å
113T96.9Very high95.6Very high11 Ų1135.7 Ų35.77%0.06719%0.187CC..EExtended strand (participates in β ladder)trans-108.2149.2177.666.10000112.3I10 D11 C12 L111 A142 L147 V377I10-T113 PolarHBondContact O-N 3.17Å; D11-T113 WeakPolarHBondContact CA-OG1 2.85Å; D11-T113 HydrophobicContact CB-CG2 3.94Å; D11-T113 PolarHBondContact OD1-OG1 2.78Å; C12-T113 PolarHBondContact N-OG1 3.44Å; L111-T113 HydrophobicContact CD2-CG2 4.36Å; T113-A142 CarbonylContact C-O 3.6Å; T113-A142 VanDerWaalsContact CA-O 3.29Å; T113-A142 WeakPolarHBondContact CA-O 3.37Å; T113-L147 HydrophobicContact CG2-CD1 3.9Å; T113-V377 HydrophobicContact CG2-CG1 3.7Å
114E94.9Very high95.7Very high7 Ų737.2 Ų37.23%0.03319%0.193CC..EExtended strand (participates in β ladder)trans-130.4150.5170.566.7171.2-169.200113.3N118 R123 I141 A142 V143 Q144E114-N118 HydrophobicContact CB-CB 3.99Å; E114-N118 HydrophobicContact CG-CB 4.39Å; E114-N118 WeakPolarHBondContact OE2-CB 3.44Å; E114-N118 PolarHBondContact OE2-ND2 2.9Å; E114-R123 IonicContact OE1-CZ 2.71Å; E114-R123 VanDerWaalsContact OE1-CZ 3.23Å; E114-R123 IonicContact OE1-NE 2.79Å; E114-R123 PolarHBondContact OE1-NE 3.14Å; E114-R123 IonicContact OE1-NH2 3.73Å; E114-R123 PolarHBondContact OE1-NH2 2.81Å; E114-R123 WeakPolarHBondContact OE2-CD 3.24Å; E114-R123 VanDerWaalsContact OE2-CG 3.28Å; E114-R123 WeakPolarHBondContact OE2-CG 3.24Å; E114-R123 IonicContact OE2-CZ 2.7Å; E114-R123 IonicContact OE2-NE 3.2Å; E114-R123 PolarHBondContact OE2-NE 3.13Å; E114-R123 IonicContact OE2-NH2 3.41Å; E114-R123 PolarHBondContact OE2-NH2 2.97Å; E114-I141 HydrophobicContact CB-CG2 3.9Å; E114-I141 HydrophobicContact CG-CG2 3.83Å; E114-A142 PolarHBondContact N-O 2.78Å; E114-V143 HydrophobicContact CG-CG2 4.17Å; E114-V143 WeakPolarHBondContact OE1-CG2 3.26Å; E114-Q144 VanDerWaalsContact O-CG 3.24Å; E114-Q144 WeakPolarHBondContact O-CG 3.24Å; E114-Q144 PolarHBondContact O-N 3.28Å
115P92.4Very high95.8Very high14 Ų1437.8 Ų37.89%0.09119%0.192CC..  trans-67.9158169.332.7-38.3000111.1G81 M82 L117 N118G81-P115 WeakPolarHBondContact O-CG 3.41Å; M82-P115 HydrophobicContact CG-CG 4.38Å; P115-L117 PolarHBondContact O-N 3.29Å; P115-L117 VanDerWaalsContact O-N 3.12Å; P115-N118 HydrophobicContact CG-CB 4.01Å; P115-N118 WeakPolarHBondContact O-CB 3.21Å; P115-N118 PolarHBondContact O-N 3.42Å; P115-N118 VanDerWaalsContact O-N 3.15Å
116P86.5Confident95.8Very high20 Ų2038.5 Ų38.513%0.1320%0.195CC..THydrogen-bonded Turntrans-66-17.3-17230-40.7000115.6V143 I178 V185 I190P116-V143 HydrophobicContact CB-CG1 4.33Å; P116-I178 HydrophobicContact CB-CD1 4.32Å; P116-I178 HydrophobicContact CB-CG2 4.13Å; P116-I178 HydrophobicContact CG-CD1 3.7Å; P116-I178 HydrophobicContact CG-CG1 4.13Å; P116-I178 HydrophobicContact CG-CG2 4.5Å; P116-V185 HydrophobicContact CB-CG1 4.17Å; P116-I190 HydrophobicContact CB-CD1 3.72Å; P116-I190 HydrophobicContact CG-CD1 4.03Å
117L87.1Confident95.9Very high88 Ų8833.5 Ų33.546%0.46117%0.172SC..THydrogen-bonded Turntrans-111.221.8178.7-66178000112.5P115 I190 H192P115-L117 PolarHBondContact O-N 3.29Å; P115-L117 VanDerWaalsContact O-N 3.12Å; L117-I190 HydrophobicContact CD2-CD1 3.87Å; L117-I190 HydrophobicContact CG-CD1 4Å; L117-H192 WeakPolarHBondContact CD1-NE2 3.32Å
118N93.7Very high95.9Very high23 Ų2332.9 Ų32.912%0.12317%0.166CC..  trans-65.6136.4176.2-164.338.5000111.2E114 P115 N122 R123E114-N118 HydrophobicContact CB-CB 3.99Å; E114-N118 HydrophobicContact CG-CB 4.39Å; E114-N118 WeakPolarHBondContact OE2-CB 3.44Å; E114-N118 PolarHBondContact OE2-ND2 2.9Å; P115-N118 HydrophobicContact CG-CB 4.01Å; P115-N118 WeakPolarHBondContact O-CB 3.21Å; P115-N118 PolarHBondContact O-N 3.42Å; P115-N118 VanDerWaalsContact O-N 3.15Å; N118-N122 WeakPolarHBondContact OD1-CB 3.31Å; N118-N122 PolarHBondContact OD1-ND2 3.29Å; N118-R123 PolarHBondContact O-NH2 2.96Å; N118-R123 VanDerWaalsContact O-NH2 3.12Å
119T94.8Very high96Very high54 Ų5432.8 Ų32.833%0.33117%0.165SC..  trans-73.5150-179.261.50000110.9E121 N122 R123T119-E121 WeakPolarHBondContact CB-OE2 3.43Å; T119-E121 PolarHBondContact O-N 2.76Å; T119-N122 PolarHBondContact O-N 2.77Å; T119-N122 WeakPolarHBondContact OG1-CB 3.45Å; T119-N122 PolarHBondContact OG1-N 3.08Å; T119-N122 PolarHBondContact OG1-ND2 2.97Å; T119-N122 PolarHBondContact OG1-OD1 3.34Å; T119-R123 PolarHBondContact O-N 3.11Å
120P96.3Very high96Very high45 Ų4532 Ų3229%0.29216%0.159SC..Hα-helixtrans-56.1-34.6171.7-2434000112.8N122 R123 E124 R409P120-N122 PolarHBondContact O-N 3.1Å; P120-R123 WeakPolarHBondContact O-CB 3.15Å; P120-R123 PolarHBondContact O-N 3.18Å; P120-R123 VanDerWaalsContact O-N 3.1Å; P120-E124 PolarHBondContact O-N 3.01Å; P120-E124 VanDerWaalsContact O-N 3.13Å; P120-R409 HydrophobicContact CB-CB 4.25Å; P120-R409 HydrophobicContact CB-CG 3.89Å
121E97.3Very high96Very high77 Ų7732 Ų3236%0.3616%0.16SC..Hα-helixtrans-63.3-40.6178.1-64.467.1-14400111.3T119 R123 E124 Y125 R409T119-E121 WeakPolarHBondContact CB-OE2 3.43Å; T119-E121 PolarHBondContact O-N 2.76Å; E121-R123 PolarHBondContact O-N 3.28Å; E121-E124 WeakPolarHBondContact O-CB 3.48Å; E121-E124 PolarHBondContact O-N 3.49Å; E121-E124 VanDerWaalsContact O-N 3.1Å; E121-Y125 HydrophobicContact CB-CE2 4.4Å; E121-Y125 VanDerWaalsContact O-CD2 3.27Å; E121-Y125 WeakPolarHBondContact O-CD2 3.36Å; E121-Y125 PolarHBondContact O-N 3.13Å; E121-R409 IonicContact OE1-CZ 3.5Å; E121-R409 IonicContact OE1-NH1 2.82Å; E121-R409 PolarHBondContact OE1-NH1 3Å; E121-R409 IonicContact OE1-NH2 3.39Å
122N97.4Very high96Very high23 Ų2337 Ų3712%0.12318%0.183CC..Hα-helixtrans-64.2-30174.1-74.6-5.4000112.6W86 N118 T119 P120 E124 M126W86-N122 HydrophobicContact CH2-CB 4.28Å; W86-N122 WeakPolarHBondContact CH2-O 3.23Å; W86-N122 HydrophobicContact CZ2-CB 3.79Å; N118-N122 WeakPolarHBondContact OD1-CB 3.31Å; N118-N122 PolarHBondContact OD1-ND2 3.29Å; T119-N122 PolarHBondContact O-N 2.77Å; T119-N122 WeakPolarHBondContact OG1-CB 3.45Å; T119-N122 PolarHBondContact OG1-N 3.08Å; T119-N122 PolarHBondContact OG1-ND2 2.97Å; T119-N122 PolarHBondContact OG1-OD1 3.34Å; P120-N122 PolarHBondContact O-N 3.1Å; N122-E124 VanDerWaalsContact C-N 3.35Å; N122-M126 WeakPolarHBondContact O-CB 3.42Å; N122-M126 PolarHBondContact O-N 3.1Å; N122-M126 VanDerWaalsContact O-N 3.08Å
123R97.9Very high95.9Very high36 Ų3640.3 Ų40.314%0.13620%0.203CC..Hα-helixtrans-69.3-36.1173.3-60.7-175.7-1719622111.5E114 N118 T119 P120 E121 A127 I141 C408 R409E114-R123 IonicContact OE1-CZ 2.71Å; E114-R123 VanDerWaalsContact OE1-CZ 3.23Å; E114-R123 IonicContact OE1-NE 2.79Å; E114-R123 PolarHBondContact OE1-NE 3.14Å; E114-R123 IonicContact OE1-NH2 3.73Å; E114-R123 PolarHBondContact OE1-NH2 2.81Å; E114-R123 WeakPolarHBondContact OE2-CD 3.24Å; E114-R123 VanDerWaalsContact OE2-CG 3.28Å; E114-R123 WeakPolarHBondContact OE2-CG 3.24Å; E114-R123 IonicContact OE2-CZ 2.7Å; E114-R123 IonicContact OE2-NE 3.2Å; E114-R123 PolarHBondContact OE2-NE 3.13Å; E114-R123 IonicContact OE2-NH2 3.41Å; E114-R123 PolarHBondContact OE2-NH2 2.97Å; N118-R123 PolarHBondContact O-NH2 2.96Å; N118-R123 VanDerWaalsContact O-NH2 3.12Å; T119-R123 PolarHBondContact O-N 3.11Å; P120-R123 WeakPolarHBondContact O-CB 3.15Å; P120-R123 PolarHBondContact O-N 3.18Å; P120-R123 VanDerWaalsContact O-N 3.1Å; E121-R123 PolarHBondContact O-N 3.28Å; R123-A127 WeakPolarHBondContact O-CB 3.38Å; R123-A127 PolarHBondContact O-N 3.35Å; R123-I141 HydrophobicContact CB-CD1 3.92Å; R123-I141 HydrophobicContact CG-CD1 4.29Å; R123-C408 VanDerWaalsContact CD-O 3.31Å; R123-C408 WeakPolarHBondContact CD-O 3.41Å; R123-R409 PolarHBondContact NH1-O 3Å
124E98Very high95.9Very high37 Ų3740.2 Ų40.217%0.17320%0.202CC..Hα-helixtrans-66.6-46.6175.4-65.8-176.9152.500111.2P120 E121 N122 M126 A127 E128 P405 R409P120-E124 PolarHBondContact O-N 3.01Å; P120-E124 VanDerWaalsContact O-N 3.13Å; E121-E124 WeakPolarHBondContact O-CB 3.48Å; E121-E124 PolarHBondContact O-N 3.49Å; E121-E124 VanDerWaalsContact O-N 3.1Å; N122-E124 VanDerWaalsContact C-N 3.35Å; E124-M126 VanDerWaalsContact C-N 3.31Å; E124-M126 PolarHBondContact O-N 3.49Å; E124-A127 CarbonylContact O-C 3.26Å; E124-A127 WeakPolarHBondContact O-CB 3.45Å; E124-A127 PolarHBondContact O-N 3.49Å; E124-E128 WeakPolarHBondContact O-CB 3.45Å; E124-E128 PolarHBondContact O-N 3.18Å; E124-P405 HydrophobicContact CB-CB 4.09Å; E124-P405 HydrophobicContact CG-CB 4.03Å; E124-R409 VanDerWaalsContact CD-NE 3.34Å; E124-R409 HydrophobicContact CG-CG 4.14Å; E124-R409 IonicContact OE1-CZ 3.3Å; E124-R409 VanDerWaalsContact OE1-CZ 3.29Å; E124-R409 IonicContact OE1-NE 3.23Å; E124-R409 PolarHBondContact OE1-NE 3.46Å; E124-R409 IonicContact OE1-NH2 2.77Å; E124-R409 PolarHBondContact OE1-NH2 3.44Å; E124-R409 VanDerWaalsContact OE1-NH2 3.08Å; E124-R409 IonicContact OE2-CZ 2.77Å; E124-R409 IonicContact OE2-NE 2.85Å; E124-R409 IonicContact OE2-NH2 2.87Å; E124-R409 PolarHBondContact OE2-NH2 3.1Å
125Y97.9Very high96.1Very high113 Ų11342.7 Ų42.744%0.44322%0.216SC..Hα-helixtrans-60.5-39.5175.3-63.4-46.4000112.7W86 E121 A127 E128 I129W86-Y125 AromaticContact CE2-CD2 3.92Å; W86-Y125 HydrophobicContact CZ2-CD2 4.15Å; W86-Y125 HydrophobicContact CZ2-CG 4.5Å; W86-Y125 AromaticContact NE1-CD2 3.8Å; E121-Y125 HydrophobicContact CB-CE2 4.4Å; E121-Y125 VanDerWaalsContact O-CD2 3.27Å; E121-Y125 WeakPolarHBondContact O-CD2 3.36Å; E121-Y125 PolarHBondContact O-N 3.13Å; Y125-A127 VanDerWaalsContact C-N 3.34Å; Y125-E128 PolarHBondContact O-N 3.33Å; Y125-I129 WeakPolarHBondContact O-CG1 3.45Å; Y125-I129 PolarHBondContact O-N 3.22Å; Y125-I129 VanDerWaalsContact O-N 3.15Å
126M97.6Very high96.3Very high19 Ų1942 Ų429%0.09421%0.211CC..Hα-helixtrans-62.8-42173.2-173.767.970.400111.5W86 M112 N122 E124 M130 I141W86-M126 HydrophobicContact CH2-CB 4.24Å; W86-M126 HydrophobicContact CH2-CE 4.2Å; W86-M126 HydrophobicContact CZ3-CB 4.2Å; W86-M126 HydrophobicContact CZ3-CE 4.01Å; W86-M126 HydrophobicContact CZ3-SD 4.48Å; M112-M126 HydrophobicContact CE-CE 3.98Å; M112-M126 HydrophobicContact CE-SD 3.44Å; M112-M126 WeakPolarHBondContact CE-SD 3.32Å; N122-M126 WeakPolarHBondContact O-CB 3.42Å; N122-M126 PolarHBondContact O-N 3.1Å; N122-M126 VanDerWaalsContact O-N 3.08Å; E124-M126 VanDerWaalsContact C-N 3.31Å; E124-M126 PolarHBondContact O-N 3.49Å; M126-M130 WeakPolarHBondContact O-CB 3.18Å; M126-M130 WeakPolarHBondContact O-CG 3.34Å; M126-M130 PolarHBondContact O-N 3.21Å; M126-M130 VanDerWaalsContact O-N 3.11Å; M126-I141 HydrophobicContact CB-CD1 4.24Å; M126-I141 HydrophobicContact CG-CD1 4.23Å
127A98.1Very high96.9Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-67-40.7178.800000112.1R123 E124 Y125 M130 F131 L139 Y400 C408R123-A127 WeakPolarHBondContact O-CB 3.38Å; R123-A127 PolarHBondContact O-N 3.35Å; E124-A127 CarbonylContact O-C 3.26Å; E124-A127 WeakPolarHBondContact O-CB 3.45Å; E124-A127 PolarHBondContact O-N 3.49Å; Y125-A127 VanDerWaalsContact C-N 3.34Å; A127-M130 PolarHBondContact O-N 3.43Å; A127-F131 HydrophobicContact CB-CD2 4.16Å; A127-F131 HydrophobicContact CB-CE2 4.43Å; A127-F131 WeakPolarHBondContact O-CB 3.39Å; A127-F131 WeakPolarHBondContact O-CD2 3.46Å; A127-F131 PolarHBondContact O-N 3.04Å; A127-L139 HydrophobicContact CB-CD2 4.03Å; A127-Y400 HydrophobicContact CB-CD2 4.42Å; A127-Y400 HydrophobicContact CB-CE2 3.92Å; A127-C408 HydrophobicContact CB-CB 3.78Å; A127-C408 VanDerWaalsContact CB-SG 3.53Å
128E98Very high97.3Very high90 Ų9039.6 Ų39.642%0.42120%0.201SC..Hα-helixtrans-55.4-53.7174.6-176.9176.9-164.800110.6E124 Y125 M130 F131 E132 Y400E124-E128 WeakPolarHBondContact O-CB 3.45Å; E124-E128 PolarHBondContact O-N 3.18Å; Y125-E128 PolarHBondContact O-N 3.33Å; E128-M130 VanDerWaalsContact C-N 3.33Å; E128-M130 PolarHBondContact O-N 3.11Å; E128-F131 PolarHBondContact O-N 3.33Å; E128-E132 HydrophobicContact CG-CG 4.39Å; E128-E132 WeakPolarHBondContact O-CA 3.42Å; E128-E132 WeakPolarHBondContact O-CB 3.32Å; E128-E132 WeakPolarHBondContact O-CG 3.39Å; E128-E132 PolarHBondContact O-N 3.31Å; E128-Y400 WeakPolarHBondContact CA-OH 3.37Å
129I97.8Very high97.6Very high12 Ų1238.5 Ų38.56%0.06220%0.195CC..Iπ-helixtrans-56.6-47.2176.7-69.1167.7000111.3W86 E90 Y125 T133 F134W86-I129 HydrophobicContact CE3-CD1 3.67Å; W86-I129 HydrophobicContact CZ3-CD1 4.18Å; E90-I129 HydrophobicContact CB-CD1 4.04Å; E90-I129 HydrophobicContact CB-CG1 4.29Å; E90-I129 HydrophobicContact CB-CG2 4.38Å; E90-I129 HydrophobicContact CG-CG1 4.35Å; E90-I129 HydrophobicContact CG-CG2 4.07Å; Y125-I129 WeakPolarHBondContact O-CG1 3.45Å; Y125-I129 PolarHBondContact O-N 3.22Å; Y125-I129 VanDerWaalsContact O-N 3.15Å; I129-T133 WeakPolarHBondContact O-CB 3.23Å; I129-T133 PolarHBondContact O-N 3.29Å; I129-F134 HydrophobicContact CG2-CD2 3.84Å; I129-F134 HydrophobicContact CG2-CE2 3.45Å; I129-F134 VanDerWaalsContact CG2-CE2 3.45Å; I129-F134 WeakPolarHBondContact O-CD2 3.43Å; I129-F134 PolarHBondContact O-N 3.05Å
130M98.3Very high97.7Very high0 Ų036.5 Ų36.50%018%0.182CC..Iπ-helixtrans-72.1-41.4-173.8-66.5-59.6-70.600112.9M93 F110 M112 M126 A127 E128 F134 N135 V136 L139M93-M130 HydrophobicContact CE-CE 4.32Å; M93-M130 HydrophobicContact CE-SD 3.79Å; F110-M130 HydrophobicContact CB-CE 3.68Å; F110-M130 HydrophobicContact CD1-CE 3.43Å; F110-M130 VanDerWaalsContact CD1-CE 3.43Å; F110-M130 HydrophobicContact CD2-CE 3.96Å; F110-M130 HydrophobicContact CE1-CE 4Å; F110-M130 HydrophobicContact CE2-CE 4.48Å; F110-M130 HydrophobicContact CG-CE 3.41Å; F110-M130 VanDerWaalsContact CG-CE 3.41Å; F110-M130 HydrophobicContact CZ-CE 4.49Å; M112-M130 HydrophobicContact SD-CE 4.48Å; M126-M130 WeakPolarHBondContact O-CB 3.18Å; M126-M130 WeakPolarHBondContact O-CG 3.34Å; M126-M130 PolarHBondContact O-N 3.21Å; M126-M130 VanDerWaalsContact O-N 3.11Å; A127-M130 PolarHBondContact O-N 3.43Å; E128-M130 VanDerWaalsContact C-N 3.33Å; E128-M130 PolarHBondContact O-N 3.11Å; M130-F134 CarbonylContact O-C 3.55Å; M130-F134 HydrophobicContact SD-CD2 3.95Å; M130-N135 PolarHBondContact O-N 2.95Å; M130-V136 HydrophobicContact CB-CG2 3.96Å; M130-V136 HydrophobicContact CE-CG1 3.88Å; M130-V136 WeakPolarHBondContact O-CG1 3.29Å; M130-V136 WeakPolarHBondContact O-CG2 3.28Å; M130-V136 PolarHBondContact O-N 3.25Å; M130-V136 VanDerWaalsContact O-N 3.12Å; M130-L139 HydrophobicContact CB-CD1 4.27Å; M130-L139 HydrophobicContact CB-CD2 4.02Å; M130-L139 HydrophobicContact CE-CD1 4.43Å; M130-L139 HydrophobicContact CG-CD1 4.08Å; M130-L139 HydrophobicContact CG-CD2 4.3Å
131F98.3Very high97.8Very high1 Ų134.5 Ų34.50%0.00417%0.169CC..Iπ-helixtrans-86.8-40-177.6-73.4-61.3000113.4A127 E128 N135 V136 L139 H395 K397 Y400A127-F131 HydrophobicContact CB-CD2 4.16Å; A127-F131 HydrophobicContact CB-CE2 4.43Å; A127-F131 WeakPolarHBondContact O-CB 3.39Å; A127-F131 WeakPolarHBondContact O-CD2 3.46Å; A127-F131 PolarHBondContact O-N 3.04Å; E128-F131 PolarHBondContact O-N 3.33Å; F131-N135 WeakPolarHBondContact O-CA 3.47Å; F131-N135 PolarHBondContact O-N 2.98Å; F131-N135 PolarHBondContact O-OD1 2.77Å; F131-V136 HydrophobicContact CD1-CG2 3.89Å; F131-V136 WeakPolarHBondContact CD1-O 3.29Å; F131-V136 HydrophobicContact CE1-CG2 3.93Å; F131-V136 WeakPolarHBondContact CE1-O 3.45Å; F131-L139 HydrophobicContact CD2-CD2 4.45Å; F131-L139 HydrophobicContact CE1-CB 4.32Å; F131-L139 HydrophobicContact CE2-CB 3.77Å; F131-L139 HydrophobicContact CE2-CD2 3.99Å; F131-L139 HydrophobicContact CZ-CB 3.54Å; F131-H395 WeakPolarHBondContact CZ-O 3.25Å; F131-K397 HydrophobicContact CD1-CB 3.79Å; F131-K397 HydrophobicContact CD1-CG 4.06Å; F131-K397 HydrophobicContact CE1-CB 3.91Å; F131-K397 PolarHBondContact O-NZ 3.11Å; F131-Y400 HydrophobicContact CB-CD1 3.77Å; F131-Y400 HydrophobicContact CB-CD2 4.36Å; F131-Y400 HydrophobicContact CB-CE1 3.89Å; F131-Y400 HydrophobicContact CB-CE2 4.43Å; F131-Y400 HydrophobicContact CB-CG 4.03Å; F131-Y400 HydrophobicContact CD2-CD1 4.16Å; F131-Y400 AromaticContact CD2-CD2 3.3Å; F131-Y400 HydrophobicContact CD2-CD2 3.3Å; F131-Y400 AromaticContact CD2-CE2 3.78Å; F131-Y400 HydrophobicContact CD2-CE2 3.78Å; F131-Y400 AromaticContact CD2-CG 3.52Å; F131-Y400 HydrophobicContact CD2-CG 3.52Å; F131-Y400 AromaticContact CE2-CD2 3.79Å; F131-Y400 HydrophobicContact CE2-CD2 3.79Å; F131-Y400 HydrophobicContact CE2-CG 4.07Å; F131-Y400 HydrophobicContact CG-CD1 4.07Å; F131-Y400 HydrophobicContact CG-CD2 4.05Å; F131-Y400 HydrophobicContact CG-CE2 4.5Å; F131-Y400 AromaticContact CG-CG 3.82Å; F131-Y400 HydrophobicContact CG-CG 3.82Å
132E97.9Very high97.8Very high106 Ų10631 Ų3150%0.49515%0.152SC..Iπ-helixtrans-87.2-42.8-174.5-55-170.2-161.700112E128 Y400E128-E132 HydrophobicContact CG-CG 4.39Å; E128-E132 WeakPolarHBondContact O-CA 3.42Å; E128-E132 WeakPolarHBondContact O-CB 3.32Å; E128-E132 WeakPolarHBondContact O-CG 3.39Å; E128-E132 PolarHBondContact O-N 3.31Å; E132-Y400 HydrophobicContact CG-CE1 3.94Å; E132-Y400 PolarHBondContact OE1-OH 2.94Å
133T96.9Very high97.7Very high70 Ų7031.5 Ų31.543%0.42916%0.157SC..Iπ-helixtrans-83.4-49.5178.4-51.70000111.8E90 I129E90-T133 WeakPolarHBondContact OE1-CB 3.44Å; E90-T133 VanDerWaalsContact OE1-CG2 3.23Å; E90-T133 WeakPolarHBondContact OE1-CG2 3.39Å; E90-T133 PolarHBondContact OE1-OG1 2.94Å; I129-T133 WeakPolarHBondContact O-CB 3.23Å; I129-T133 PolarHBondContact O-N 3.29Å
134F97.6Very high97.6Very high10 Ų1030.6 Ų30.64%0.04415%0.154CC..SBendtrans-97.1-2.5-172.9-60.5-58.8000114.8M93 E94 I97 F98 P105 I129 M130 V136M93-F134 HydrophobicContact CB-CE2 3.62Å; M93-F134 HydrophobicContact CB-CZ 3.82Å; E94-F134 HydrophobicContact CB-CE1 4.29Å; E94-F134 HydrophobicContact CB-CZ 4.3Å; I97-F134 HydrophobicContact CD1-CB 4.26Å; I97-F134 HydrophobicContact CD1-CD1 3.83Å; I97-F134 HydrophobicContact CD1-CD2 3.76Å; I97-F134 HydrophobicContact CD1-CE1 4.1Å; I97-F134 HydrophobicContact CD1-CE2 4.01Å; I97-F134 HydrophobicContact CD1-CG 3.67Å; I97-F134 HydrophobicContact CD1-CZ 4.19Å; F98-F134 HydrophobicContact CE2-CD1 4.06Å; F98-F134 AromaticContact CE2-CE1 4Å; F98-F134 HydrophobicContact CE2-CE1 4Å; F98-F134 HydrophobicContact CZ-CD1 4.46Å; P105-F134 HydrophobicContact CB-CB 4.14Å; P105-F134 VanDerWaalsContact CB-O 3.27Å; P105-F134 WeakPolarHBondContact CB-O 3.41Å; P105-F134 HydrophobicContact CG-CB 4.44Å; P105-F134 VanDerWaalsContact CG-O 3.3Å; P105-F134 WeakPolarHBondContact CG-O 3.36Å; I129-F134 HydrophobicContact CG2-CD2 3.84Å; I129-F134 HydrophobicContact CG2-CE2 3.45Å; I129-F134 VanDerWaalsContact CG2-CE2 3.45Å; I129-F134 WeakPolarHBondContact O-CD2 3.43Å; I129-F134 PolarHBondContact O-N 3.05Å; M130-F134 CarbonylContact O-C 3.55Å; M130-F134 HydrophobicContact SD-CD2 3.95Å; F134-V136 HydrophobicContact CB-CG1 4.06Å; F134-V136 PolarHBondContact O-N 3.16Å; F134-V136 VanDerWaalsContact O-N 3.12Å
135N97.9Very high97.5Very high59 Ų5928.9 Ų28.932%0.31615%0.146SC..  trans53.630.7177.7-70.3-23.1000115.3E106 M130 F131 K397E106-N135 HydrophobicContact CG-CB 3.66Å; E106-N135 WeakPolarHBondContact OE1-CB 3.28Å; E106-N135 PolarHBondContact OE1-ND2 2.82Å; M130-N135 PolarHBondContact O-N 2.95Å; F131-N135 WeakPolarHBondContact O-CA 3.47Å; F131-N135 PolarHBondContact O-N 2.98Å; F131-N135 PolarHBondContact O-OD1 2.77Å; N135-K397 PolarHBondContact OD1-NZ 3.38Å
136V97.9Very high97.4Very high0 Ų024 Ų240%013%0.128CC..  trans-63.8140.3-175.5-55.50000111.7P105 F110 M130 F131 F134 G138 L139 K397P105-V136 HydrophobicContact CB-CG1 4.09Å; F110-V136 HydrophobicContact CD2-CB 3.86Å; F110-V136 HydrophobicContact CD2-CG1 3.45Å; F110-V136 VanDerWaalsContact CD2-CG1 3.45Å; F110-V136 HydrophobicContact CE2-CB 4.18Å; F110-V136 HydrophobicContact CE2-CG1 3.44Å; F110-V136 VanDerWaalsContact CE2-CG1 3.44Å; F110-V136 HydrophobicContact CG-CG1 4.31Å; F110-V136 HydrophobicContact CZ-CG1 4.29Å; M130-V136 HydrophobicContact CB-CG2 3.96Å; M130-V136 HydrophobicContact CE-CG1 3.88Å; M130-V136 WeakPolarHBondContact O-CG1 3.29Å; M130-V136 WeakPolarHBondContact O-CG2 3.28Å; M130-V136 PolarHBondContact O-N 3.25Å; M130-V136 VanDerWaalsContact O-N 3.12Å; F131-V136 HydrophobicContact CD1-CG2 3.89Å; F131-V136 WeakPolarHBondContact CD1-O 3.29Å; F131-V136 HydrophobicContact CE1-CG2 3.93Å; F131-V136 WeakPolarHBondContact CE1-O 3.45Å; F134-V136 HydrophobicContact CB-CG1 4.06Å; F134-V136 PolarHBondContact O-N 3.16Å; F134-V136 VanDerWaalsContact O-N 3.12Å; V136-G138 VanDerWaalsContact C-N 3.3Å; V136-G138 PolarHBondContact O-N 3.23Å; V136-L139 HydrophobicContact CG2-CB 4.49Å; V136-K397 WeakPolarHBondContact O-CB 3.4Å
137P97.3Very high97.4Very high53 Ų5323.2 Ų23.234%0.34412%0.124SC..SBendtrans-71-25.1-178.727.6-36.7000112.9P105 E106 H108 S396 K397P105-P137 WeakPolarHBondContact O-CD 3.43Å; E106-P137 WeakPolarHBondContact O-CD 3.49Å; E106-P137 WeakPolarHBondContact O-CG 3.32Å; H108-P137 VanDerWaalsContact O-CD 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.34Å; H108-P137 WeakPolarHBondContact O-CG 3.5Å; P137-S396 WeakPolarHBondContact O-CA 3.41Å; P137-K397 PolarHBondContact O-N 3.29Å
138G97.2Very high97.3Very high3 Ų323.2 Ų23.23%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-162.2149.5175.100000114.1S109 F110 V136 H395S109-G138 CarbonylContact C-O 3.48Å; S109-G138 VanDerWaalsContact CA-O 3.32Å; S109-G138 WeakPolarHBondContact CA-O 3.33Å; F110-G138 PolarHBondContact N-O 3.38Å; V136-G138 VanDerWaalsContact C-N 3.3Å; V136-G138 PolarHBondContact O-N 3.23Å; G138-H395 CarbonylContact C-O 3.38Å; G138-H395 WeakPolarHBondContact CA-O 3.48Å
139L98.4Very high97.2Very high0 Ų019 Ų190%010%0.104CC..EExtended strand (participates in β ladder)trans-133.5139.1-175.1-178.266.1000110.6F110 M112 A127 M130 F131 V136 I141 H395F110-L139 HydrophobicContact CB-CD1 4.09Å; F110-L139 WeakPolarHBondContact O-CA 3.28Å; M112-L139 HydrophobicContact CB-CD1 4.44Å; M112-L139 HydrophobicContact CG-CD1 3.73Å; A127-L139 HydrophobicContact CB-CD2 4.03Å; M130-L139 HydrophobicContact CB-CD1 4.27Å; M130-L139 HydrophobicContact CB-CD2 4.02Å; M130-L139 HydrophobicContact CE-CD1 4.43Å; M130-L139 HydrophobicContact CG-CD1 4.08Å; M130-L139 HydrophobicContact CG-CD2 4.3Å; F131-L139 HydrophobicContact CD2-CD2 4.45Å; F131-L139 HydrophobicContact CE1-CB 4.32Å; F131-L139 HydrophobicContact CE2-CB 3.77Å; F131-L139 HydrophobicContact CE2-CD2 3.99Å; F131-L139 HydrophobicContact CZ-CB 3.54Å; V136-L139 HydrophobicContact CG2-CB 4.49Å; L139-I141 HydrophobicContact CD2-CD1 4.26Å; L139-I141 HydrophobicContact CD2-CG1 4.28Å; L139-I141 HydrophobicContact CG-CG1 4.25Å; L139-H395 PolarHBondContact N-O 3.47Å; L139-H395 PolarHBondContact O-N 3.37Å
140Y98.3Very high97.1Very high12 Ų1218.4 Ų18.45%0.04710%0.101CC..EExtended strand (participates in β ladder)trans-133.5126.2168.3-176.8-92.4000109.7F110 L111 M112 A142 F390 V393 N411 P412 F414F110-Y140 PolarHBondContact O-N 3.05Å; L111-Y140 WeakPolarHBondContact CA-O 3.48Å; L111-Y140 HydrophobicContact CD1-CD1 4.22Å; L111-Y140 HydrophobicContact CG-CD1 4.19Å; M112-Y140 PolarHBondContact N-O 3.07Å; Y140-A142 HydrophobicContact CD1-CB 3.94Å; Y140-A142 HydrophobicContact CE1-CB 3.6Å; Y140-F390 HydrophobicContact CD1-CE2 4.41Å; Y140-F390 HydrophobicContact CG-CE2 4.2Å; Y140-V393 HydrophobicContact CD2-CG2 3.96Å; Y140-V393 HydrophobicContact CE2-CB 4.4Å; Y140-V393 HydrophobicContact CE2-CG2 3.85Å; Y140-N411 HydrophobicContact CD2-CB 4.18Å; Y140-N411 HydrophobicContact CE2-CB 3.78Å; Y140-P412 WeakPolarHBondContact CE2-O 3.23Å; Y140-P412 PolarHBondContact OH-O 3.19Å; Y140-F414 HydrophobicContact CE1-CE1 4.04Å; Y140-F414 HydrophobicContact CE2-CD1 4.36Å; Y140-F414 HydrophobicContact CE2-CE1 4.09Å; Y140-F414 AromaticContact CZ-CE1 3.74Å
141I98.1Very high96.9Very high4 Ų418.4 Ų18.42%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-104109178.5-57168.9000108.5M112 E114 R123 M126 L139 N411M112-I141 HydrophobicContact CB-CG1 4.48Å; M112-I141 CarbonylContact O-C 3.59Å; M112-I141 WeakPolarHBondContact O-CA 3.5Å; E114-I141 HydrophobicContact CB-CG2 3.9Å; E114-I141 HydrophobicContact CG-CG2 3.83Å; R123-I141 HydrophobicContact CB-CD1 3.92Å; R123-I141 HydrophobicContact CG-CD1 4.29Å; M126-I141 HydrophobicContact CB-CD1 4.24Å; M126-I141 HydrophobicContact CG-CD1 4.23Å; L139-I141 HydrophobicContact CD2-CD1 4.26Å; L139-I141 HydrophobicContact CD2-CG1 4.28Å; L139-I141 HydrophobicContact CG-CG1 4.25Å; I141-N411 PolarHBondContact N-OD1 2.86Å; I141-N411 VanDerWaalsContact N-OD1 3.13Å; I141-N411 VanDerWaalsContact O-CB 3.24Å; I141-N411 WeakPolarHBondContact O-CB 3.3Å; I141-N411 VanDerWaalsContact O-CG 3.23Å; I141-N411 PolarHBondContact O-ND2 3.39Å
142A96.8Very high96.7Very high2 Ų218.4 Ų18.42%0.01710%0.101CC..EExtended strand (participates in β ladder)trans-98.9134.2-173.400000112.3L111 M112 T113 E114 Y140 Q144 L147L111-A142 HydrophobicContact CD2-CB 3.95Å; L111-A142 HydrophobicContact CG-CB 4.3Å; M112-A142 PolarHBondContact O-N 3.16Å; T113-A142 CarbonylContact C-O 3.6Å; T113-A142 VanDerWaalsContact CA-O 3.29Å; T113-A142 WeakPolarHBondContact CA-O 3.37Å; E114-A142 PolarHBondContact N-O 2.78Å; Y140-A142 HydrophobicContact CD1-CB 3.94Å; Y140-A142 HydrophobicContact CE1-CB 3.6Å; A142-Q144 PolarHBondContact O-N 2.98Å; A142-L147 HydrophobicContact CB-CD1 3.69Å; A142-L147 HydrophobicContact CB-CD2 3.86Å; A142-L147 HydrophobicContact CB-CG 3.87Å
143V95.4Very high96.4Very high35 Ų3514.7 Ų14.721%0.2128%0.083CC..EExtended strand (participates in β ladder)trans-71.6125.3172.1-176.60000110.2E114 P116 A145 V146 L147 V185E114-V143 HydrophobicContact CG-CG2 4.17Å; E114-V143 WeakPolarHBondContact OE1-CG2 3.26Å; P116-V143 HydrophobicContact CB-CG1 4.33Å; V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 PolarHBondContact O-N 2.87Å; V143-V146 HydrophobicContact CB-CG2 4.12Å; V143-V146 PolarHBondContact O-N 3.33Å; V143-L147 PolarHBondContact O-N 2.96Å; V143-V185 HydrophobicContact CG1-CG2 3.83Å
144Q95.4Very high95.9Very high16 Ų1614.8 Ų14.88%0.0758%0.083CC..Hα-helixtrans-52.6-42.1-174.1-73.2167.7-18.200113.7E114 A142 V146 L147 A148 V377E114-Q144 VanDerWaalsContact O-CG 3.24Å; E114-Q144 WeakPolarHBondContact O-CG 3.24Å; E114-Q144 PolarHBondContact O-N 3.28Å; A142-Q144 PolarHBondContact O-N 2.98Å; Q144-V146 VanDerWaalsContact C-N 3.32Å; Q144-V146 PolarHBondContact O-N 3.26Å; Q144-L147 PolarHBondContact O-N 3.21Å; Q144-A148 PolarHBondContact O-N 2.92Å; Q144-V377 HydrophobicContact CB-CG1 4.08Å; Q144-V377 HydrophobicContact CB-CG2 4.02Å; Q144-V377 HydrophobicContact CG-CG1 3.79Å; Q144-V377 HydrophobicContact CG-CG2 4.4Å
145A95.8Very high95.4Very high1 Ų115 Ų151%0.0089%0.086CC..Hα-helixtrans-61.7-38.5179.700000112.9V143 L147 A148 L149 V167 I178 V180V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 PolarHBondContact O-N 2.87Å; A145-L147 VanDerWaalsContact C-N 3.35Å; A145-A148 PolarHBondContact O-N 3.13Å; A145-L149 PolarHBondContact O-N 3.26Å; A145-V167 HydrophobicContact CB-CB 4.13Å; A145-V167 HydrophobicContact CB-CG1 4.46Å; A145-V167 HydrophobicContact CB-CG2 4.06Å; A145-V167 WeakPolarHBondContact O-CG2 3.17Å; A145-I178 HydrophobicContact CB-CB 4.09Å; A145-I178 HydrophobicContact CB-CD1 3.89Å; A145-I178 HydrophobicContact CB-CG2 3.68Å; A145-V180 HydrophobicContact CB-CG2 4.07Å
146V96Very high94.5Very high11 Ų1124.2 Ų24.27%0.06712%0.116CC..Hα-helixtrans-67.7-40.4-180-177.10000110.2V143 Q144 L149 A150 L163 V180 G183 V413V143-V146 HydrophobicContact CB-CG2 4.12Å; V143-V146 PolarHBondContact O-N 3.33Å; Q144-V146 VanDerWaalsContact C-N 3.32Å; Q144-V146 PolarHBondContact O-N 3.26Å; V146-L149 PolarHBondContact O-N 2.9Å; V146-A150 PolarHBondContact O-N 2.86Å; V146-L163 HydrophobicContact CG1-CD1 3.89Å; V146-L163 HydrophobicContact CG1-CD2 4.02Å; V146-L163 HydrophobicContact CG1-CG 4.47Å; V146-V180 HydrophobicContact CG2-CG1 4.32Å; V146-G183 VanDerWaalsContact CG2-O 3.24Å; V146-G183 WeakPolarHBondContact CG2-O 3.34Å; V146-V413 HydrophobicContact CG1-CG1 4.11Å
147L96.9Very high93.6Very high3 Ų328.6 Ų28.62%0.01614%0.137CC..Hα-helixtrans-64.7-39.8175-59.7-174000112.3L111 T113 A142 V143 Q144 A145 L149 A150 A151 V377 G380 L384L111-L147 HydrophobicContact CD2-CD1 4.04Å; T113-L147 HydrophobicContact CG2-CD1 3.9Å; A142-L147 HydrophobicContact CB-CD1 3.69Å; A142-L147 HydrophobicContact CB-CD2 3.86Å; A142-L147 HydrophobicContact CB-CG 3.87Å; V143-L147 PolarHBondContact O-N 2.96Å; Q144-L147 PolarHBondContact O-N 3.21Å; A145-L147 VanDerWaalsContact C-N 3.35Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 PolarHBondContact O-N 2.96Å; L147-A150 WeakPolarHBondContact O-CB 3.28Å; L147-A150 PolarHBondContact O-N 3.38Å; L147-A150 VanDerWaalsContact O-N 3.17Å; L147-A151 PolarHBondContact O-N 2.79Å; L147-V377 HydrophobicContact CB-CG1 4.37Å; L147-V377 WeakPolarHBondContact CB-O 3.22Å; L147-V377 HydrophobicContact CD1-CG1 3.94Å; L147-V377 WeakPolarHBondContact CD1-O 3.31Å; L147-G380 WeakPolarHBondContact O-CA 3.42Å; L147-L384 HydrophobicContact CD2-CD1 3.7Å
148A96.8Very high92.6Very high0 Ų027.5 Ų27.50%013%0.129CC..Hα-helixtrans-61.7-40.4175.400000112.2Q144 A145 A151 S152 V167 A376Q144-A148 PolarHBondContact O-N 2.92Å; A145-A148 PolarHBondContact O-N 3.13Å; A148-A151 WeakPolarHBondContact O-CB 3.45Å; A148-A151 PolarHBondContact O-N 2.95Å; A148-S152 PolarHBondContact O-N 2.88Å; A148-V167 HydrophobicContact CB-CG1 3.78Å; A148-V167 HydrophobicContact CB-CG2 4.44Å; A148-A376 HydrophobicContact CB-CB 4.42Å
149L95.9Very high91.3Very high0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-61.9-44172-71.5166.1000111.5A145 V146 L147 A151 S152 W153 L163 V167 V180 V320A145-L149 PolarHBondContact O-N 3.26Å; V146-L149 PolarHBondContact O-N 2.9Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 PolarHBondContact O-N 2.96Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 2.86Å; L149-S152 WeakPolarHBondContact O-CB 3.37Å; L149-S152 PolarHBondContact O-N 2.77Å; L149-S152 VanDerWaalsContact O-N 3.15Å; L149-S152 PolarHBondContact O-OG 2.87Å; L149-W153 PolarHBondContact O-NE1 3.26Å; L149-L163 HydrophobicContact CB-CD2 3.87Å; L149-V167 HydrophobicContact CD1-CG2 4.09Å; L149-V167 HydrophobicContact CD2-CG2 3.93Å; L149-V167 HydrophobicContact CG-CG2 3.6Å; L149-V180 HydrophobicContact CD1-CB 3.57Å; L149-V180 HydrophobicContact CD1-CG1 3.82Å; L149-V180 HydrophobicContact CD1-CG2 3.68Å; L149-V320 HydrophobicContact CD2-CB 4.12Å; L149-V320 HydrophobicContact CD2-CG2 3.68Å
150A94.9Very high90.4Very high0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-60.1-42.1176.500000111.7V146 L147 S152 W153 L163 M383 L384V146-A150 PolarHBondContact O-N 2.86Å; L147-A150 WeakPolarHBondContact O-CB 3.28Å; L147-A150 PolarHBondContact O-N 3.38Å; L147-A150 VanDerWaalsContact O-N 3.17Å; A150-S152 VanDerWaalsContact C-N 3.25Å; A150-S152 PolarHBondContact O-N 2.77Å; A150-W153 HydrophobicContact CB-CD2 4.45Å; A150-W153 HydrophobicContact CB-CE3 4.31Å; A150-W153 HydrophobicContact CB-CH2 4.13Å; A150-W153 HydrophobicContact CB-CZ2 4.29Å; A150-W153 HydrophobicContact CB-CZ3 4.13Å; A150-W153 VanDerWaalsContact O-CB 3.29Å; A150-W153 WeakPolarHBondContact O-CB 3.22Å; A150-W153 VanDerWaalsContact O-CG 3.24Å; A150-W153 PolarHBondContact O-N 3.42Å; A150-W153 VanDerWaalsContact O-N 3.15Å; A150-L163 HydrophobicContact CB-CD2 4.47Å; A150-M383 HydrophobicContact CB-CE 3.9Å; A150-M383 WeakPolarHBondContact O-CE 3.47Å; A150-L384 HydrophobicContact CB-CD1 4.07Å; A150-L384 HydrophobicContact CB-CD2 4.48Å; A150-L384 HydrophobicContact CB-CG 4.24Å
151A94.9Very high89.9Confident0 Ų046.1 Ų46.10%023%0.233CC..Hα-helixtrans-59.9-34.8176.100000113.2L147 A148 L149 W153 T154 A376 F379L147-A151 PolarHBondContact O-N 2.79Å; A148-A151 WeakPolarHBondContact O-CB 3.45Å; A148-A151 PolarHBondContact O-N 2.95Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 2.86Å; A151-W153 PolarHBondContact O-N 3.3Å; A151-T154 PolarHBondContact O-N 3.45Å; A151-T154 PolarHBondContact O-OG1 3.12Å; A151-A376 HydrophobicContact CB-CB 4.02Å; A151-A376 WeakPolarHBondContact CB-O 3.43Å; A151-F379 HydrophobicContact CB-CD1 3.75Å; A151-F379 HydrophobicContact CB-CE1 4.49Å
152S93.9Very high89.7Confident1 Ų147.8 Ų47.81%0.00724%0.244CC..Hα-helixtrans-64.2-19.9178.981.90000114A148 L149 A150 T154 S155A148-S152 PolarHBondContact O-N 2.88Å; L149-S152 WeakPolarHBondContact O-CB 3.37Å; L149-S152 PolarHBondContact O-N 2.77Å; L149-S152 VanDerWaalsContact O-N 3.15Å; L149-S152 PolarHBondContact O-OG 2.87Å; A150-S152 VanDerWaalsContact C-N 3.25Å; A150-S152 PolarHBondContact O-N 2.77Å; S152-T154 PolarHBondContact O-N 3.28Å; S152-T154 VanDerWaalsContact O-N 3.07Å; S152-S155 WeakPolarHBondContact O-CB 3.14Å; S152-S155 PolarHBondContact O-N 3.05Å
153W91.8Very high89.5Confident29 Ų2947.8 Ų47.811%0.1124%0.243CC..THydrogen-bonded Turntrans-62.5-17.4178.9-60.3-14000113.6L149 A150 A151 S155 R161 T162 L163 M383 L384 G415 I416L149-W153 PolarHBondContact O-NE1 3.26Å; A150-W153 HydrophobicContact CB-CD2 4.45Å; A150-W153 HydrophobicContact CB-CE3 4.31Å; A150-W153 HydrophobicContact CB-CH2 4.13Å; A150-W153 HydrophobicContact CB-CZ2 4.29Å; A150-W153 HydrophobicContact CB-CZ3 4.13Å; A150-W153 VanDerWaalsContact O-CB 3.29Å; A150-W153 WeakPolarHBondContact O-CB 3.22Å; A150-W153 VanDerWaalsContact O-CG 3.24Å; A150-W153 PolarHBondContact O-N 3.42Å; A150-W153 VanDerWaalsContact O-N 3.15Å; A151-W153 PolarHBondContact O-N 3.3Å; W153-S155 VanDerWaalsContact C-N 3.27Å; W153-R161 HydrophobicContact CB-CG 4.14Å; W153-R161 HydrophobicContact CD2-CB 3.98Å; W153-R161 HydrophobicContact CD2-CG 3.91Å; W153-R161 HydrophobicContact CE3-CG 4.27Å; W153-R161 HydrophobicContact CG-CB 4.15Å; W153-R161 HydrophobicContact CG-CG 3.85Å; W153-R161 HydrophobicContact CZ2-CB 4.42Å; W153-T162 PolarHBondContact NE1-O 2.9Å; W153-L163 HydrophobicContact CH2-CD2 4.16Å; W153-L163 HydrophobicContact CZ2-CD2 3.45Å; W153-L163 VanDerWaalsContact CZ2-CD2 3.45Å; W153-L163 HydrophobicContact CZ2-CG 3.83Å; W153-M383 HydrophobicContact CD2-CE 4.43Å; W153-M383 HydrophobicContact CE3-CE 3.49Å; W153-M383 VanDerWaalsContact CE3-CE 3.49Å; W153-M383 HydrophobicContact CZ3-CE 3.83Å; W153-L384 HydrophobicContact CZ3-CD2 4.24Å; W153-G415 WeakPolarHBondContact CH2-O 3.45Å; W153-I416 HydrophobicContact CH2-CG1 4.4Å; W153-I416 HydrophobicContact CZ2-CG1 4.21Å
154T86.7Confident89.5Confident71 Ų7147.1 Ų47.144%0.43624%0.24SC..THydrogen-bonded Turntrans-75.5-16172.960.30000113.4A151 S152 F379A151-T154 PolarHBondContact O-N 3.45Å; A151-T154 PolarHBondContact O-OG1 3.12Å; S152-T154 PolarHBondContact O-N 3.28Å; S152-T154 VanDerWaalsContact O-N 3.07Å; T154-F379 HydrophobicContact CG2-CE1 3.49Å; T154-F379 VanDerWaalsContact CG2-CE1 3.49Å; T154-F379 HydrophobicContact CG2-CZ 3.71Å
155S86.2Confident89.6Confident14 Ų1446.4 Ų46.410%0.09824%0.236CC..SBendtrans-72.3132179.6-171.40000111S152 W153 Q157 V158 T369S152-S155 WeakPolarHBondContact O-CB 3.14Å; S152-S155 PolarHBondContact O-N 3.05Å; W153-S155 VanDerWaalsContact C-N 3.27Å; S155-Q157 PolarHBondContact O-N 2.78Å; S155-Q157 VanDerWaalsContact O-N 3.09Å; S155-Q157 PolarHBondContact OG-N 2.71Å; S155-V158 PolarHBondContact O-N 2.92Å; S155-T369 PolarHBondContact OG-O 2.98Å
156R79.3Confident89.7Confident253 Ų25346.3 Ų46.396%0.95524%0.236SC*.THydrogen-bonded Turntrans-62.5-16.3173.7-62.5-178.2-178.4179.40.3113.4
157Q78.6Confident89.8Confident93 Ų9345.8 Ų45.844%0.43523%0.232SC..THydrogen-bonded Turntrans-75.9-16.1178.2-61.4174.24.400112.3S155 Q366S155-Q157 PolarHBondContact O-N 2.78Å; S155-Q157 VanDerWaalsContact O-N 3.09Å; S155-Q157 PolarHBondContact OG-N 2.71Å; Q157-Q366 PolarHBondContact O-NE2 2.97Å
158V76.6Confident89.9Confident29 Ų2945.7 Ų45.718%0.17623%0.232CC..  trans-100.2108.7-177.3-1800000108.6S155 Q160 V368S155-V158 PolarHBondContact O-N 2.92Å; V158-Q160 WeakPolarHBondContact CG1-O 3.49Å; V158-V368 HydrophobicContact CG2-CG1 4.06Å; V158-V368 HydrophobicContact CG2-CG2 4.25Å
159G70.6Confident89.8Confident91 Ų9146.9 Ų46.994%0.93824%0.238SC*.SBendtrans-83.3-16.5176.900000114.3
160Q79.6Confident89.8Confident154 Ų15446.9 Ų46.972%0.7224%0.238SC*.SBendtrans-139.2128.2-176.9-175.6177.13.900109.9V158 T162V158-Q160 WeakPolarHBondContact CG1-O 3.49Å; Q160-T162 PolarHBondContact O-N 3.41Å
161R88.6Confident89.6Confident161 Ų16148.1 Ų48.161%0.60825%0.251SS*.  trans-66.5123.9171.5-63.7-175.8-178.11750.1108.9W153W153-R161 HydrophobicContact CB-CG 4.14Å; W153-R161 HydrophobicContact CD2-CB 3.98Å; W153-R161 HydrophobicContact CD2-CG 3.91Å; W153-R161 HydrophobicContact CE3-CG 4.27Å; W153-R161 HydrophobicContact CG-CB 4.15Å; W153-R161 HydrophobicContact CG-CG 3.85Å; W153-R161 HydrophobicContact CZ2-CB 4.42Å
162T92.1Very high89.3Confident40 Ų4050 Ų5025%0.24526%0.261CS..  trans-147.5146.1179.4-177.60000109.6W153 Q160 T164W153-T162 PolarHBondContact NE1-O 2.9Å; Q160-T162 PolarHBondContact O-N 3.41Å; T162-T164 PolarHBondContact OG1-N 2.89Å
163L93.8Very high89Confident1 Ų150.7 Ų50.71%0.00527%0.268CS..SBendtrans-104.824.3166.8-59.1174.7000110.9V146 L149 A150 W153 V180 G183 V413 I416V146-L163 HydrophobicContact CG1-CD1 3.89Å; V146-L163 HydrophobicContact CG1-CD2 4.02Å; V146-L163 HydrophobicContact CG1-CG 4.47Å; L149-L163 HydrophobicContact CB-CD2 3.87Å; A150-L163 HydrophobicContact CB-CD2 4.47Å; W153-L163 HydrophobicContact CH2-CD2 4.16Å; W153-L163 HydrophobicContact CZ2-CD2 3.45Å; W153-L163 VanDerWaalsContact CZ2-CD2 3.45Å; W153-L163 HydrophobicContact CZ2-CG 3.83Å; L163-V180 VanDerWaalsContact O-CG1 3.25Å; L163-V180 WeakPolarHBondContact O-CG1 3.41Å; L163-G183 PolarHBondContact O-N 3.45Å; L163-G183 VanDerWaalsContact O-N 3.08Å; L163-V413 HydrophobicContact CD1-CG1 3.42Å; L163-V413 VanDerWaalsContact CD1-CG1 3.42Å; L163-I416 HydrophobicContact CB-CD1 3.56Å; L163-I416 HydrophobicContact CB-CG1 4.42Å; L163-I416 HydrophobicContact CD1-CD1 3.59Å; L163-I416 HydrophobicContact CD1-CG1 3.71Å; L163-I416 HydrophobicContact CG-CD1 3.36Å; L163-I416 HydrophobicContact CG-CG1 3.67Å
164T95.8Very high88.7Confident22 Ų2250.2 Ų50.214%0.13527%0.269CS..  trans-105.8119.6168-58.80000108.9T162 V180 E182 P314 N318T162-T164 PolarHBondContact OG1-N 2.89Å; T164-V180 WeakPolarHBondContact CA-O 3.42Å; T164-E182 PolarHBondContact OG1-N 3.09Å; T164-P314 HydrophobicContact CG2-CB 3.63Å; T164-N318 PolarHBondContact O-ND2 3.23Å
165G96.9Very high89.1Confident0 Ų046.9 Ų46.90%025%0.248CC..EExtended strand (participates in β ladder)trans172.5171.3-176.400000111.1V180 L315 N318G165-V180 PolarHBondContact N-O 2.9Å; G165-V180 WeakPolarHBondContact O-CA 3.46Å; G165-V180 PolarHBondContact O-N 3.43Å; G165-V180 VanDerWaalsContact O-O 3.09Å; G165-L315 VanDerWaalsContact O-CD2 3.23Å; G165-L315 WeakPolarHBondContact O-CD2 3.44Å; G165-N318 CarbonylContact C-O 3.54Å; G165-N318 WeakPolarHBondContact CA-O 3.46Å
166I98.1Very high89.5Confident0 Ų046.8 Ų46.80%025%0.246CC..EExtended strand (participates in β ladder)trans-106.5131.5170.4-173.6176000109I168 A177 I178 I300 V303 I304 L315 N318 I319 V320I166-I168 HydrophobicContact CD1-CD1 4.26Å; I166-I168 HydrophobicContact CG1-CD1 4.19Å; I166-A177 HydrophobicContact CD1-CB 4.33Å; I166-I178 CarbonylContact C-O 3.52Å; I166-I178 WeakPolarHBondContact CA-O 3.25Å; I166-I300 HydrophobicContact CD1-CG2 4.13Å; I166-V303 HydrophobicContact CD1-CB 4.13Å; I166-V303 HydrophobicContact CD1-CG1 3.6Å; I166-I304 HydrophobicContact CD1-CD1 4.47Å; I166-I304 HydrophobicContact CD1-CG1 4.02Å; I166-I304 HydrophobicContact CG2-CD1 4.24Å; I166-L315 HydrophobicContact CB-CD2 4.47Å; I166-N318 PolarHBondContact N-O 2.74Å; I166-I319 HydrophobicContact CG2-CB 3.94Å; I166-I319 HydrophobicContact CG2-CG1 3.55Å; I166-I319 HydrophobicContact CG2-CG2 3.95Å; I166-I319 CarbonylContact O-C 3.55Å; I166-I319 WeakPolarHBondContact O-CA 3.34Å; I166-V320 PolarHBondContact O-N 2.99Å
167V98.1Very high90.3Very high0 Ų034.8 Ų34.80%020%0.201CC..EExtended strand (participates in β ladder)trans-102.4127.5178.6-178.50000109.3A145 A148 L149 D169 I178 V180 V320A145-V167 HydrophobicContact CB-CB 4.13Å; A145-V167 HydrophobicContact CB-CG1 4.46Å; A145-V167 HydrophobicContact CB-CG2 4.06Å; A145-V167 WeakPolarHBondContact O-CG2 3.17Å; A148-V167 HydrophobicContact CB-CG1 3.78Å; A148-V167 HydrophobicContact CB-CG2 4.44Å; L149-V167 HydrophobicContact CD1-CG2 4.09Å; L149-V167 HydrophobicContact CD2-CG2 3.93Å; L149-V167 HydrophobicContact CG-CG2 3.6Å; V167-D169 HydrophobicContact CG1-CB 4.34Å; V167-I178 HydrophobicContact CB-CB 4.42Å; V167-I178 PolarHBondContact N-O 3.41Å; V167-I178 PolarHBondContact O-N 2.67Å; V167-V180 HydrophobicContact CG2-CG2 4.45Å; V167-V320 CarbonylContact C-O 3.59Å; V167-V320 WeakPolarHBondContact CA-O 3.5Å
168I98Very high91.2Very high1 Ų130.4 Ų30.41%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-102.195.1170.9-48.2-51.6000107I166 T175 H176 A177 I296 I300 I319 V320 L321 S322I166-I168 HydrophobicContact CD1-CD1 4.26Å; I166-I168 HydrophobicContact CG1-CD1 4.19Å; I168-T175 HydrophobicContact CG2-CG2 4.29Å; I168-H176 WeakPolarHBondContact CA-O 3.23Å; I168-A177 HydrophobicContact CD1-CB 4.04Å; I168-I296 HydrophobicContact CG2-CD1 3.85Å; I168-I300 HydrophobicContact CD1-CD1 3.34Å; I168-I300 HydrophobicContact CD1-CG1 3.47Å; I168-I300 VanDerWaalsContact CD1-CG1 3.47Å; I168-I300 HydrophobicContact CG1-CD1 3.72Å; I168-I300 HydrophobicContact CG1-CG1 4.4Å; I168-I319 HydrophobicContact CG1-CG2 3.95Å; I168-V320 PolarHBondContact N-O 2.87Å; I168-L321 HydrophobicContact CB-CD2 3.82Å; I168-L321 HydrophobicContact CG1-CD2 4.09Å; I168-L321 HydrophobicContact CG2-CD2 4.38Å; I168-S322 PolarHBondContact O-N 3.38Å; I168-S322 VanDerWaalsContact O-O 3.13Å
169D95.4Very high92.3Very high24 Ų2429 Ų2913%0.12817%0.172CC..EExtended strand (participates in β ladder)trans-96.2110179.2-173.645.2000109.8V167 T175 H176 I178 S322V167-D169 HydrophobicContact CG1-CB 4.34Å; D169-T175 CarbonylContact O-C 3.57Å; D169-T175 VanDerWaalsContact O-CA 3.28Å; D169-T175 WeakPolarHBondContact O-CA 3.36Å; D169-H176 PolarHBondContact N-O 3.35Å; D169-H176 PolarHBondContact O-N 2.82Å; D169-I178 HydrophobicContact CB-CD1 4.46Å; D169-S322 WeakPolarHBondContact CA-O 3.47Å; D169-S322 WeakPolarHBondContact OD1-CB 3.42Å; D169-S322 PolarHBondContact OD1-OG 3.46Å
170S95.6Very high93.5Very high0 Ų024.7 Ų24.70%013%0.128CC..EExtended strand (participates in β ladder)trans-122.4100.9-178.5-167.30000110.7T175 F282 S322 G323 G324 S325S170-T175 WeakPolarHBondContact CB-OG1 3.32Å; S170-T175 PolarHBondContact OG-OG1 2.82Å; S170-F282 VanDerWaalsContact OG-CZ 3.29Å; S170-F282 WeakPolarHBondContact OG-CZ 3.19Å; S170-S322 PolarHBondContact N-O 2.98Å; S170-G323 CarbonylContact O-C 3.48Å; S170-G323 VanDerWaalsContact O-C 3.26Å; S170-G323 WeakPolarHBondContact O-CA 3.37Å; S170-G324 PolarHBondContact O-N 3.36Å; S170-S325 WeakPolarHBondContact O-CB 3.42Å; S170-S325 PolarHBondContact O-N 3.19Å; S170-S325 VanDerWaalsContact OG-CB 3.27Å; S170-S325 WeakPolarHBondContact OG-CB 3.19Å
171G91.6Very high94.3Very high26 Ų2618.2 Ų18.227%0.26810%0.101SC..  trans-96.8-149.5178.500000113.1V174 G197 S325G171-V174 PolarHBondContact N-O 3.26Å; G171-G197 PolarHBondContact O-N 2.91Å; G171-S325 PolarHBondContact O-OG 3.48Å
172D88.9Confident94.5Very high39 Ų3918 Ų1821%0.20911%0.107CC..SBendtrans-82.1-35.9175.4-169.362.6000112.6A196 G197 R198D172-A196 WeakPolarHBondContact O-CB 3.46Å; D172-G197 PolarHBondContact O-N 3.15Å; D172-R198 WeakPolarHBondContact O-CB 3.23Å; D172-R198 PolarHBondContact O-N 2.96Å; D172-R198 IonicContact OD2-CZ 3.77Å; D172-R198 IonicContact OD2-NE 3.36Å; D172-R198 PolarHBondContact OD2-NE 2.81Å; D172-R198 IonicContact OD2-NH2 3.73Å; D172-R198 PolarHBondContact OD2-NH2 3.3Å
173G86.3Confident94.5Very high16 Ų1616.2 Ų16.217%0.16510%0.096CC..SBendtrans-99.5-34.5-169.700000116.2
174V86.3Confident94.4Very high20 Ų2022.4 Ų22.412%0.12112%0.12CC..  trans-154.5155.4-176.356.40000109.8G171 H176 H192 A196G171-V174 PolarHBondContact N-O 3.26Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.38Å; V174-H192 HydrophobicContact CG2-CB 4.46Å; V174-A196 VanDerWaalsContact N-CB 3.27Å
175T93.9Very high94.4Very high0 Ų023.2 Ų23.20%013%0.125CC..EExtended strand (participates in β ladder)trans-112133.2169-61.90000110.3I168 D169 S170 I193 I195 F282 I296I168-T175 HydrophobicContact CG2-CG2 4.29Å; D169-T175 CarbonylContact O-C 3.57Å; D169-T175 VanDerWaalsContact O-CA 3.28Å; D169-T175 WeakPolarHBondContact O-CA 3.36Å; S170-T175 WeakPolarHBondContact CB-OG1 3.32Å; S170-T175 PolarHBondContact OG-OG1 2.82Å; T175-I193 HydrophobicContact CG2-CB 4.38Å; T175-I193 HydrophobicContact CG2-CD1 4.19Å; T175-I193 PolarHBondContact N-O 3.22Å; T175-I193 PolarHBondContact O-N 3.02Å; T175-I195 VanDerWaalsContact CB-O 3.26Å; T175-I195 WeakPolarHBondContact CB-O 3.49Å; T175-I195 PolarHBondContact OG1-O 2.85Å; T175-F282 HydrophobicContact CG2-CE1 4.39Å; T175-I296 HydrophobicContact CG2-CD1 4.32Å
176H94.7Very high94.4Very high12 Ų1224.7 Ų24.76%0.05613%0.133CC..EExtended strand (participates in β ladder)trans-117.8138.6-179.4-62109.4000111.3I168 D169 V174 I178 H192I168-H176 WeakPolarHBondContact CA-O 3.23Å; D169-H176 PolarHBondContact N-O 3.35Å; D169-H176 PolarHBondContact O-N 2.82Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.38Å; H176-I178 HydrophobicContact CB-CD1 3.69Å; H176-I178 HydrophobicContact CB-CG1 3.64Å; H176-H192 AromaticContact CD2-CE1 3.32Å; H176-H192 PolarHBondContact CD2-CE1 3.17Å; H176-H192 AromaticContact CD2-CG 3.91Å; H176-H192 AromaticContact CD2-ND1 2.95Å; H176-H192 PolarHBondContact CD2-ND1 3.39Å; H176-H192 AromaticContact NE2-CE1 3.28Å; H176-H192 PolarHBondContact NE2-CE1 3.35Å; H176-H192 VanDerWaalsContact NE2-CE1 3.28Å; H176-H192 AromaticContact NE2-ND1 2.93Å; H176-H192 PolarHBondContact NE2-ND1 3Å
177A97.5Very high94.2Very high1 Ų126.4 Ų26.41%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-107.7108.5165.300000108.5I166 I168 K191 V299 I300 V303I166-A177 HydrophobicContact CD1-CB 4.33Å; I168-A177 HydrophobicContact CD1-CB 4.04Å; A177-K191 PolarHBondContact N-O 3.24Å; A177-K191 PolarHBondContact O-N 2.94Å; A177-V299 HydrophobicContact CB-CG1 4.38Å; A177-I300 HydrophobicContact CB-CG1 4.44Å; A177-V303 HydrophobicContact CB-CG2 3.96Å
178I97.9Very high94Very high1 Ų131.9 Ų31.91%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-120.1103.6-165.9-50.9166.4000109.5P116 A145 I166 V167 D169 H176 V180 V185 I190P116-I178 HydrophobicContact CB-CD1 4.32Å; P116-I178 HydrophobicContact CB-CG2 4.13Å; P116-I178 HydrophobicContact CG-CD1 3.7Å; P116-I178 HydrophobicContact CG-CG1 4.13Å; P116-I178 HydrophobicContact CG-CG2 4.5Å; A145-I178 HydrophobicContact CB-CB 4.09Å; A145-I178 HydrophobicContact CB-CD1 3.89Å; A145-I178 HydrophobicContact CB-CG2 3.68Å; I166-I178 CarbonylContact C-O 3.52Å; I166-I178 WeakPolarHBondContact CA-O 3.25Å; V167-I178 HydrophobicContact CB-CB 4.42Å; V167-I178 PolarHBondContact N-O 3.41Å; V167-I178 PolarHBondContact O-N 2.67Å; D169-I178 HydrophobicContact CB-CD1 4.46Å; H176-I178 HydrophobicContact CB-CD1 3.69Å; H176-I178 HydrophobicContact CB-CG1 3.64Å; I178-V180 HydrophobicContact CG2-CG2 4.37Å; I178-V185 HydrophobicContact CG2-CG1 3.52Å; I178-V185 HydrophobicContact CG2-CG2 4.23Å; I178-I190 HydrophobicContact CG2-CD1 4.37Å; I178-I190 HydrophobicContact CG2-CG1 4.36Å
179P98.1Very high94Very high0 Ų032.2 Ų32.20%019%0.191CC..EExtended strand (participates in β ladder)trans-77131.4174.629.3-30.2000110.7I186 C189 V303 C307 L315P179-I186 HydrophobicContact CB-CB 4.46Å; P179-I186 HydrophobicContact CB-CD1 4.47Å; P179-I186 HydrophobicContact CG-CB 4.08Å; P179-I186 PolarHBondContact O-N 2.91Å; P179-C189 HydrophobicContact CG-CB 3.71Å; P179-V303 HydrophobicContact CB-CG1 4.11Å; P179-V303 HydrophobicContact CG-CG1 3.71Å; P179-C307 VanDerWaalsContact CB-SG 3.54Å; P179-L315 HydrophobicContact CB-CD1 4.17Å; P179-L315 HydrophobicContact CB-CD2 4.36Å
180V97.4Very high94Very high0 Ų032 Ų320%019%0.189CC..EExtended strand (participates in β ladder)trans-124.9133.1178.5-1670000108.9A145 V146 L149 L163 T164 G165 V167 I178 Y184 V185 L315A145-V180 HydrophobicContact CB-CG2 4.07Å; V146-V180 HydrophobicContact CG2-CG1 4.32Å; L149-V180 HydrophobicContact CD1-CB 3.57Å; L149-V180 HydrophobicContact CD1-CG1 3.82Å; L149-V180 HydrophobicContact CD1-CG2 3.68Å; L163-V180 VanDerWaalsContact O-CG1 3.25Å; L163-V180 WeakPolarHBondContact O-CG1 3.41Å; T164-V180 WeakPolarHBondContact CA-O 3.42Å; G165-V180 PolarHBondContact N-O 2.9Å; G165-V180 WeakPolarHBondContact O-CA 3.46Å; G165-V180 PolarHBondContact O-N 3.43Å; G165-V180 VanDerWaalsContact O-O 3.09Å; V167-V180 HydrophobicContact CG2-CG2 4.45Å; I178-V180 HydrophobicContact CG2-CG2 4.37Å; V180-Y184 CarbonylContact C-O 3.46Å; V180-Y184 WeakPolarHBondContact CA-O 3.01Å; V180-Y184 WeakPolarHBondContact CG1-O 3.43Å; V180-V185 HydrophobicContact CG2-CG2 4.25Å; V180-L315 WeakPolarHBondContact O-CD2 3.43Å
181A95.9Very high94Very high19 Ų1935.8 Ų35.816%0.15721%0.206CC..EExtended strand (participates in β ladder)trans-126122.5173.900000109.3G183 Y184 I186 V311A181-G183 PolarHBondContact O-N 2.82Å; A181-G183 VanDerWaalsContact O-N 3.11Å; A181-Y184 PolarHBondContact N-O 3Å; A181-Y184 PolarHBondContact O-N 3Å; A181-I186 HydrophobicContact CB-CD1 4.03Å; A181-I186 HydrophobicContact CB-CG1 4.34Å; A181-V311 HydrophobicContact CB-CG1 4.14Å
182E92.5Very high94.1Very high156 Ų15638.9 Ų38.973%0.72921%0.213SC*.THydrogen-bonded Turntrans53.634.2177.5-55.9-174171.200113.2T164 Y184T164-E182 PolarHBondContact OG1-N 3.09Å; E182-Y184 VanDerWaalsContact C-N 3.31Å; E182-Y184 WeakPolarHBondContact O-CD2 3.34Å; E182-Y184 PolarHBondContact O-N 2.85Å
183G91.5Very high94.3Very high2 Ų237.1 Ų37.12%0.02120%0.203CC..THydrogen-bonded Turntrans87.7-11.2-17800000115.2V146 L163 A181 V413V146-G183 VanDerWaalsContact CG2-O 3.24Å; V146-G183 WeakPolarHBondContact CG2-O 3.34Å; L163-G183 PolarHBondContact O-N 3.45Å; L163-G183 VanDerWaalsContact O-N 3.08Å; A181-G183 PolarHBondContact O-N 2.82Å; A181-G183 VanDerWaalsContact O-N 3.11Å; G183-V413 WeakPolarHBondContact O-CG2 3.27Å
184Y92.6Very high94.6Very high132 Ų13239.1 Ų39.152%0.51821%0.213SC..EExtended strand (participates in β ladder)trans-98.5132.7177.9-62.6-81.5000111.3V180 A181 E182V180-Y184 CarbonylContact C-O 3.46Å; V180-Y184 WeakPolarHBondContact CA-O 3.01Å; V180-Y184 WeakPolarHBondContact CG1-O 3.43Å; A181-Y184 PolarHBondContact N-O 3Å; A181-Y184 PolarHBondContact O-N 3Å; E182-Y184 VanDerWaalsContact C-N 3.31Å; E182-Y184 WeakPolarHBondContact O-CD2 3.34Å; E182-Y184 PolarHBondContact O-N 2.85Å
185V95.3Very high95Very high38 Ų3838.2 Ų38.223%0.2321%0.208CC..EExtended strand (participates in β ladder)trans-75.7130.4176.9179.60000110P116 V143 I178 V180 G187 I190P116-V185 HydrophobicContact CB-CG1 4.17Å; V143-V185 HydrophobicContact CG1-CG2 3.83Å; I178-V185 HydrophobicContact CG2-CG1 3.52Å; I178-V185 HydrophobicContact CG2-CG2 4.23Å; V180-V185 HydrophobicContact CG2-CG2 4.25Å; V185-G187 VanDerWaalsContact C-N 3.27Å; V185-G187 PolarHBondContact O-N 2.89Å; V185-I190 HydrophobicContact CG1-CD1 3.7Å; V185-I190 HydrophobicContact CG1-CG1 4.19Å
186I96.2Very high95Very high32 Ų3238.2 Ų38.216%0.16421%0.208CC..  trans-83.178.3173.5-51.6172.2000108P179 A181 S188 C189 C307 V311P179-I186 HydrophobicContact CB-CB 4.46Å; P179-I186 HydrophobicContact CB-CD1 4.47Å; P179-I186 HydrophobicContact CG-CB 4.08Å; P179-I186 PolarHBondContact O-N 2.91Å; A181-I186 HydrophobicContact CB-CD1 4.03Å; A181-I186 HydrophobicContact CB-CG1 4.34Å; I186-S188 VanDerWaalsContact C-N 3.26Å; I186-S188 PolarHBondContact O-N 3.03Å; I186-S188 VanDerWaalsContact O-N 3.16Å; I186-C189 HydrophobicContact CG2-CB 4.07Å; I186-C189 PolarHBondContact O-N 3.34Å; I186-C307 HydrophobicContact CD1-CB 4.45Å; I186-V311 HydrophobicContact CD1-CG2 4.13Å
187G93.7Very high95Very high35 Ų3537.7 Ų37.736%0.36121%0.206SC..G310 helixtrans-54.4-36.4-171.200000114.7V185 C189 I190V185-G187 VanDerWaalsContact C-N 3.27Å; V185-G187 PolarHBondContact O-N 2.89Å; G187-C189 PolarHBondContact O-N 3.19Å; G187-C189 VanDerWaalsContact O-N 3.16Å; G187-I190 PolarHBondContact O-N 2.96Å
188S95.8Very high94.8Very high116 Ų11641.3 Ų41.381%0.81122%0.219SC*.G310 helixtrans-65.6-16179.658.60000114.6I186I186-S188 VanDerWaalsContact C-N 3.26Å; I186-S188 PolarHBondContact O-N 3.03Å; I186-S188 VanDerWaalsContact O-N 3.16Å
189C97Very high94.7Very high8 Ų843.6 Ų43.65%0.05423%0.232CC..G310 helixtrans-107.10.2-177.7-64.40000113.1P179 I186 G187 V303 S306P179-C189 HydrophobicContact CG-CB 3.71Å; I186-C189 HydrophobicContact CG2-CB 4.07Å; I186-C189 PolarHBondContact O-N 3.34Å; G187-C189 PolarHBondContact O-N 3.19Å; G187-C189 VanDerWaalsContact O-N 3.16Å; C189-V303 WeakPolarHBondContact O-CG1 3.45Å; C189-S306 WeakPolarHBondContact CB-OG 3.42Å; C189-S306 VanDerWaalsContact SG-C 3.6Å; C189-S306 PolarHBondContact SG-O 3.34Å; C189-S306 PolarHBondContact SG-OG 3.5Å; C189-S306 VanDerWaalsContact SG-OG 3.33Å
190I96.3Very high94.6Very high18 Ų1843.6 Ų43.69%0.09223%0.232CC..  trans-64.6138.7179.4-62.5173.8000109.8P116 L117 I178 V185 G187P116-I190 HydrophobicContact CB-CD1 3.72Å; P116-I190 HydrophobicContact CG-CD1 4.03Å; L117-I190 HydrophobicContact CD2-CD1 3.87Å; L117-I190 HydrophobicContact CG-CD1 4Å; I178-I190 HydrophobicContact CG2-CD1 4.37Å; I178-I190 HydrophobicContact CG2-CG1 4.36Å; V185-I190 HydrophobicContact CG1-CD1 3.7Å; V185-I190 HydrophobicContact CG1-CG1 4.19Å; G187-I190 PolarHBondContact O-N 2.96Å
191K95.7Very high94.6Very high80 Ų8043.9 Ų43.935%0.34823%0.234SC..EExtended strand (participates in β ladder)trans-124.8141.9170.2-66.4-72.3-173.31470110.8A177 V299 E302 V303A177-K191 PolarHBondContact N-O 3.24Å; A177-K191 PolarHBondContact O-N 2.94Å; K191-V299 HydrophobicContact CB-CG1 3.75Å; K191-V299 HydrophobicContact CG-CG1 4.42Å; K191-E302 VanDerWaalsContact CE-OE1 3.29Å; K191-E302 WeakPolarHBondContact CE-OE1 3.24Å; K191-E302 IonicContact NZ-OE1 2.93Å; K191-E302 PolarHBondContact NZ-OE1 2.95Å; K191-V303 HydrophobicContact CB-CG2 3.61Å; K191-V303 HydrophobicContact CG-CG2 3.36Å
192H92.3Very high94.7Very high92 Ų9247.7 Ų47.743%0.42625%0.247SC..EExtended strand (participates in β ladder)trans-103.3137.9174.8-56.6-96.6000108.8L117 V174 H176L117-H192 WeakPolarHBondContact CD1-NE2 3.32Å; V174-H192 HydrophobicContact CG2-CB 4.46Å; H176-H192 AromaticContact CD2-CE1 3.32Å; H176-H192 PolarHBondContact CD2-CE1 3.17Å; H176-H192 AromaticContact CD2-CG 3.91Å; H176-H192 AromaticContact CD2-ND1 2.95Å; H176-H192 PolarHBondContact CD2-ND1 3.39Å; H176-H192 AromaticContact NE2-CE1 3.28Å; H176-H192 PolarHBondContact NE2-CE1 3.35Å; H176-H192 VanDerWaalsContact NE2-CE1 3.28Å; H176-H192 AromaticContact NE2-ND1 2.93Å; H176-H192 PolarHBondContact NE2-ND1 3Å
193I94.1Very high94.9Very high1 Ų141.3 Ų41.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-112.7120.8174.5-55.7177.4000106.5T175 I195 F292 I296 V299T175-I193 HydrophobicContact CG2-CB 4.38Å; T175-I193 HydrophobicContact CG2-CD1 4.19Å; T175-I193 PolarHBondContact N-O 3.22Å; T175-I193 PolarHBondContact O-N 3.02Å; I193-I195 HydrophobicContact CG2-CB 3.97Å; I193-I195 HydrophobicContact CG2-CG1 4.17Å; I193-I195 PolarHBondContact O-N 3.47Å; I193-F292 HydrophobicContact CG1-CZ 4.45Å; I193-F292 HydrophobicContact CG2-CD1 4.49Å; I193-F292 HydrophobicContact CG2-CE1 3.71Å; I193-F292 HydrophobicContact CG2-CZ 4.05Å; I193-I296 HydrophobicContact CD1-CB 4.11Å; I193-I296 HydrophobicContact CD1-CD1 4.17Å; I193-I296 HydrophobicContact CD1-CG1 3.65Å; I193-V299 HydrophobicContact CD1-CB 4.02Å; I193-V299 HydrophobicContact CD1-CG1 3.92Å; I193-V299 HydrophobicContact CD1-CG2 4.1Å; I193-V299 HydrophobicContact CG1-CB 4.37Å; I193-V299 HydrophobicContact CG1-CG1 3.93Å; I193-V299 HydrophobicContact CG1-CG2 4.15Å
194P92.2Very high95.2Very high58 Ų5841.2 Ų41.238%0.37722%0.215SC..SBendtrans-79.245.8-178.636.2-37.7000111.4N289 F292P194-N289 PolarHBondContact O-ND2 2.86Å; P194-F292 HydrophobicContact CG-CB 3.62Å; P194-F292 HydrophobicContact CG-CD1 4.02Å; P194-F292 HydrophobicContact CG-CD2 3.73Å; P194-F292 HydrophobicContact CG-CE2 4.41Å; P194-F292 HydrophobicContact CG-CG 3.51Å
195I94.1Very high95.4Very high2 Ų236 Ų361%0.0120%0.196CC..  trans-140.4121.2177.9-60.3-66.6000106.9T175 I193 I281 F282 P285 N289T175-I195 VanDerWaalsContact CB-O 3.26Å; T175-I195 WeakPolarHBondContact CB-O 3.49Å; T175-I195 PolarHBondContact OG1-O 2.85Å; I193-I195 HydrophobicContact CG2-CB 3.97Å; I193-I195 HydrophobicContact CG2-CG1 4.17Å; I193-I195 PolarHBondContact O-N 3.47Å; I195-I281 HydrophobicContact CD1-CD1 4.46Å; I195-I281 HydrophobicContact CG2-CD1 3.94Å; I195-I281 HydrophobicContact CG2-CG1 3.72Å; I195-F282 HydrophobicContact CG2-CD1 3.95Å; I195-F282 HydrophobicContact CG2-CE1 4.01Å; I195-F282 HydrophobicContact CG2-CG 4.44Å; I195-P285 HydrophobicContact CD1-CB 4.26Å; I195-P285 HydrophobicContact CG1-CB 4.08Å; I195-N289 HydrophobicContact CD1-CB 4Å
196A93.9Very high95.4Very high0 Ų039.5 Ų39.50%021%0.21CC..  trans-146.2-170.7179.200000111.6D172 V174 R198 D199 I200D172-A196 WeakPolarHBondContact O-CB 3.46Å; V174-A196 VanDerWaalsContact N-CB 3.27Å; A196-R198 PolarHBondContact O-N 3.12Å; A196-D199 PolarHBondContact N-OD2 3.47Å; A196-D199 PolarHBondContact O-N 3.45Å; A196-I200 WeakPolarHBondContact O-CG1 3.3Å; A196-I200 PolarHBondContact O-N 2.99Å; A196-I200 VanDerWaalsContact O-N 3.16Å
197G94.6Very high95.4Very high1 Ų139.7 Ų39.71%0.0121%0.211CC..Hα-helixtrans-57.5-31.7-177.500000114G171 D172 T201 K228 S325G171-G197 PolarHBondContact O-N 2.91Å; D172-G197 PolarHBondContact O-N 3.15Å; G197-T201 PolarHBondContact O-N 2.71Å; G197-T201 PolarHBondContact O-OG1 3.37Å; G197-K228 PolarHBondContact O-NZ 3.45Å; G197-K228 VanDerWaalsContact O-NZ 3.07Å; G197-S325 WeakPolarHBondContact CA-OG 3.35Å; G197-S325 PolarHBondContact N-OG 3.42Å
198R93.8Very high95.5Very high76 Ų7638.2 Ų38.229%0.28720%0.195SC..Hα-helixtrans-70.5-46.7176.8-175.6174.5-59.1156.45.9112.2D172 A196 I200 T201 F202D172-R198 WeakPolarHBondContact O-CB 3.23Å; D172-R198 PolarHBondContact O-N 2.96Å; D172-R198 IonicContact OD2-CZ 3.77Å; D172-R198 IonicContact OD2-NE 3.36Å; D172-R198 PolarHBondContact OD2-NE 2.81Å; D172-R198 IonicContact OD2-NH2 3.73Å; D172-R198 PolarHBondContact OD2-NH2 3.3Å; A196-R198 PolarHBondContact O-N 3.12Å; R198-I200 VanDerWaalsContact C-N 3.3Å; R198-I200 PolarHBondContact O-N 3.13Å; R198-T201 WeakPolarHBondContact O-CA 3.27Å; R198-T201 WeakPolarHBondContact O-CB 3.31Å; R198-T201 PolarHBondContact O-N 3.47Å; R198-F202 HydrophobicContact CG-CD2 3.91Å; R198-F202 HydrophobicContact CG-CE2 3.43Å; R198-F202 VanDerWaalsContact CG-CE2 3.43Å; R198-F202 HydrophobicContact CG-CZ 3.79Å; R198-F202 PolarHBondContact O-N 3.07Å
199D95.5Very high95.4Very high49 Ų4940.1 Ų40.126%0.26218%0.184SC..Hα-helixtrans-62.4-40.4-179.8-50.1-66.5000111.2A196 T201 F202 F203 I281A196-D199 PolarHBondContact N-OD2 3.47Å; A196-D199 PolarHBondContact O-N 3.45Å; D199-T201 VanDerWaalsContact C-N 3.29Å; D199-T201 PolarHBondContact O-N 3.45Å; D199-F202 PolarHBondContact O-N 3.46Å; D199-F203 WeakPolarHBondContact O-CB 3.23Å; D199-F203 PolarHBondContact O-N 3.47Å; D199-I281 HydrophobicContact CB-CD1 4.43Å
200I97.3Very high95.2Very high0 Ų045.6 Ų45.60%021%0.213CC..Hα-helixtrans-60.7-41.5173.2-61.4166.7000110.8A196 R198 F203 I204 K228 I281 F282 F328A196-I200 WeakPolarHBondContact O-CG1 3.3Å; A196-I200 PolarHBondContact O-N 2.99Å; A196-I200 VanDerWaalsContact O-N 3.16Å; R198-I200 VanDerWaalsContact C-N 3.3Å; R198-I200 PolarHBondContact O-N 3.13Å; I200-F203 PolarHBondContact O-N 2.93Å; I200-I204 HydrophobicContact CG2-CD1 3.78Å; I200-I204 HydrophobicContact CG2-CG1 4.47Å; I200-I204 WeakPolarHBondContact O-CB 3.33Å; I200-I204 WeakPolarHBondContact O-CD1 3.44Å; I200-I204 VanDerWaalsContact O-CG1 3.23Å; I200-I204 WeakPolarHBondContact O-CG1 3.32Å; I200-I204 PolarHBondContact O-N 3.42Å; I200-K228 HydrophobicContact CB-CD 4.18Å; I200-K228 HydrophobicContact CG2-CD 3.78Å; I200-K228 HydrophobicContact CG2-CG 3.91Å; I200-I281 HydrophobicContact CB-CD1 4.26Å; I200-I281 HydrophobicContact CG1-CD1 3.6Å; I200-I281 HydrophobicContact CG1-CG1 3.95Å; I200-F282 HydrophobicContact CD1-CD2 4.09Å; I200-F282 HydrophobicContact CD1-CE2 3.36Å; I200-F282 HydrophobicContact CD1-CZ 3.84Å; I200-F328 HydrophobicContact CD1-CE2 3.67Å; I200-F328 HydrophobicContact CD1-CZ 4Å; I200-F328 HydrophobicContact CG2-CZ 4.23Å
201T97.3Very high95.1Very high7 Ų749.4 Ų49.44%0.04323%0.226CC..Hα-helixtrans-65.9-43.3179.6-51.60000110.9G197 R198 D199 I204 Q205 L221 A224 K225 K228G197-T201 PolarHBondContact O-N 2.71Å; G197-T201 PolarHBondContact O-OG1 3.37Å; R198-T201 WeakPolarHBondContact O-CA 3.27Å; R198-T201 WeakPolarHBondContact O-CB 3.31Å; R198-T201 PolarHBondContact O-N 3.47Å; D199-T201 VanDerWaalsContact C-N 3.29Å; D199-T201 PolarHBondContact O-N 3.45Å; T201-I204 PolarHBondContact O-N 2.94Å; T201-Q205 WeakPolarHBondContact O-CB 3.09Å; T201-Q205 PolarHBondContact O-N 3.29Å; T201-L221 HydrophobicContact CG2-CD1 3.79Å; T201-L221 HydrophobicContact CG2-CG 4.48Å; T201-A224 HydrophobicContact CG2-CB 4.01Å; T201-K225 HydrophobicContact CG2-CB 3.94Å; T201-K228 PolarHBondContact OG1-NZ 3.12Å
202F96.4Very high94.9Very high98 Ų9847.3 Ų47.343%0.4322%0.218SC..Hα-helixtrans-66.9-39.8176.8-68.6-31.6000112.6R198 D199 Q205 Q206 L221R198-F202 HydrophobicContact CG-CD2 3.91Å; R198-F202 HydrophobicContact CG-CE2 3.43Å; R198-F202 VanDerWaalsContact CG-CE2 3.43Å; R198-F202 HydrophobicContact CG-CZ 3.79Å; R198-F202 PolarHBondContact O-N 3.07Å; D199-F202 PolarHBondContact O-N 3.46Å; F202-Q205 WeakPolarHBondContact O-CB 3.21Å; F202-Q205 PolarHBondContact O-N 2.95Å; F202-Q206 PolarHBondContact O-N 3.35Å; F202-L221 HydrophobicContact CD1-CD1 3.66Å; F202-L221 HydrophobicContact CE1-CD1 3.51Å
203F97.4Very high94.6Very high22 Ų2247.2 Ų47.210%0.09623%0.232CC..Hα-helixtrans-64-44.6175.9-176.8-121.4000111.7D199 I200 Q205 Q206 L207 L277 I281 F287 A288D199-F203 WeakPolarHBondContact O-CB 3.23Å; D199-F203 PolarHBondContact O-N 3.47Å; I200-F203 PolarHBondContact O-N 2.93Å; F203-Q205 VanDerWaalsContact C-N 3.31Å; F203-Q205 PolarHBondContact O-N 3.4Å; F203-Q206 WeakPolarHBondContact O-CB 3.48Å; F203-Q206 PolarHBondContact O-N 3.11Å; F203-L207 HydrophobicContact CD1-CD1 4.25Å; F203-L207 HydrophobicContact CE1-CD1 3.87Å; F203-L207 HydrophobicContact CZ-CD1 4.09Å; F203-L207 HydrophobicContact CZ-CD2 4.37Å; F203-L207 HydrophobicContact CZ-CG 4.38Å; F203-L207 WeakPolarHBondContact O-CG 3.3Å; F203-L207 PolarHBondContact O-N 2.73Å; F203-L277 HydrophobicContact CE1-CB 4.14Å; F203-L277 WeakPolarHBondContact CE1-O 3.4Å; F203-I281 HydrophobicContact CB-CD1 4.44Å; F203-I281 HydrophobicContact CD1-CG2 3.53Å; F203-I281 HydrophobicContact CE1-CG2 3.66Å; F203-I281 HydrophobicContact CG-CG2 4.17Å; F203-I281 HydrophobicContact CZ-CG2 4.38Å; F203-F287 HydrophobicContact CE2-CB 4.49Å; F203-F287 HydrophobicContact CZ-CB 4.12Å; F203-A288 HydrophobicContact CB-CB 4.27Å; F203-A288 HydrophobicContact CD2-CB 3.98Å; F203-A288 HydrophobicContact CG-CB 4.14Å
204I97.7Very high94.2Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-60.8-42.1173.1-68.7166.6000110.8I200 T201 Q206 L207 L208 A224 I227 K228 E274I200-I204 HydrophobicContact CG2-CD1 3.78Å; I200-I204 HydrophobicContact CG2-CG1 4.47Å; I200-I204 WeakPolarHBondContact O-CB 3.33Å; I200-I204 WeakPolarHBondContact O-CD1 3.44Å; I200-I204 VanDerWaalsContact O-CG1 3.23Å; I200-I204 WeakPolarHBondContact O-CG1 3.32Å; I200-I204 PolarHBondContact O-N 3.42Å; T201-I204 PolarHBondContact O-N 2.94Å; I204-Q206 VanDerWaalsContact C-N 3.29Å; I204-Q206 PolarHBondContact O-N 3.44Å; I204-L207 PolarHBondContact O-N 2.87Å; I204-L208 HydrophobicContact CG2-CD1 3.86Å; I204-L208 HydrophobicContact CG2-CG 4.28Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.47Å; I204-L208 PolarHBondContact O-N 3.4Å; I204-A224 HydrophobicContact CB-CB 4.46Å; I204-A224 HydrophobicContact CG2-CB 4.05Å; I204-I227 HydrophobicContact CG2-CB 4.44Å; I204-I227 HydrophobicContact CG2-CG2 4.06Å; I204-K228 HydrophobicContact CD1-CB 3.69Å; I204-K228 HydrophobicContact CD1-CG 4.01Å; I204-E274 HydrophobicContact CG1-CB 4.35Å; I204-E274 HydrophobicContact CG2-CB 4.23Å; I204-E274 HydrophobicContact CG2-CG 4.25Å
205Q96.8Very high94.2Very high22 Ų2248.6 Ų48.610%0.10325%0.251CS..Hα-helixtrans-58.6-41.9177.2-174.9-176.828.300111.9T201 F202 F203 L208 R209 S220 A224T201-Q205 WeakPolarHBondContact O-CB 3.09Å; T201-Q205 PolarHBondContact O-N 3.29Å; F202-Q205 WeakPolarHBondContact O-CB 3.21Å; F202-Q205 PolarHBondContact O-N 2.95Å; F203-Q205 VanDerWaalsContact C-N 3.31Å; F203-Q205 PolarHBondContact O-N 3.4Å; Q205-L208 PolarHBondContact O-N 3.21Å; Q205-R209 VanDerWaalsContact NE2-NH2 3.15Å; Q205-R209 WeakPolarHBondContact O-CG 3.27Å; Q205-R209 PolarHBondContact O-N 3.46Å; Q205-S220 WeakPolarHBondContact CG-OG 3.24Å; Q205-S220 PolarHBondContact NE2-OG 3.31Å; Q205-A224 HydrophobicContact CB-CB 3.79Å; Q205-A224 HydrophobicContact CG-CB 4.48Å
206Q95.9Very high94.1Very high112 Ų11248.8 Ų48.852%0.52325%0.252SS..Hα-helixtrans-62.7-49.2176-175.9177.8-14.100111.3F202 F203 I204 L208 R209 D210F202-Q206 PolarHBondContact O-N 3.35Å; F203-Q206 WeakPolarHBondContact O-CB 3.48Å; F203-Q206 PolarHBondContact O-N 3.11Å; I204-Q206 VanDerWaalsContact C-N 3.29Å; I204-Q206 PolarHBondContact O-N 3.44Å; Q206-L208 VanDerWaalsContact C-N 3.26Å; Q206-L208 PolarHBondContact O-N 3.23Å; Q206-R209 PolarHBondContact O-N 3.25Å; Q206-R209 VanDerWaalsContact O-N 3.08Å; Q206-D210 PolarHBondContact O-N 3.33Å; Q206-D210 VanDerWaalsContact O-N 3.08Å
207L95.9Very high94Very high37 Ų3753.8 Ų53.819%0.19429%0.285CS..Hα-helixtrans-58.2-38178-66.3175.9000112.8F203 I204 R211 E274 L277F203-L207 HydrophobicContact CD1-CD1 4.25Å; F203-L207 HydrophobicContact CE1-CD1 3.87Å; F203-L207 HydrophobicContact CZ-CD1 4.09Å; F203-L207 HydrophobicContact CZ-CD2 4.37Å; F203-L207 HydrophobicContact CZ-CG 4.38Å; F203-L207 WeakPolarHBondContact O-CG 3.3Å; F203-L207 PolarHBondContact O-N 2.73Å; I204-L207 PolarHBondContact O-N 2.87Å; L207-R211 PolarHBondContact O-N 3.39Å; L207-E274 HydrophobicContact CB-CB 4.28Å; L207-E274 HydrophobicContact CD1-CB 3.77Å; L207-L277 HydrophobicContact CD1-CB 4.04Å; L207-L277 HydrophobicContact CD1-CD1 4.18Å
208L95.9Very high93.7Very high3 Ų359.2 Ų59.22%0.01631%0.31CS..Hα-helixtrans-69.4-39.3176.7-69.4170.7000111.9I204 Q205 Q206 D210 R211 E212 I215 A224 I227 I269 E274I204-L208 HydrophobicContact CG2-CD1 3.86Å; I204-L208 HydrophobicContact CG2-CG 4.28Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.47Å; I204-L208 PolarHBondContact O-N 3.4Å; Q205-L208 PolarHBondContact O-N 3.21Å; Q206-L208 VanDerWaalsContact C-N 3.26Å; Q206-L208 PolarHBondContact O-N 3.23Å; L208-D210 VanDerWaalsContact C-N 3.29Å; L208-D210 PolarHBondContact O-N 2.85Å; L208-R211 PolarHBondContact O-N 2.9Å; L208-E212 HydrophobicContact CD2-CG 4.12Å; L208-E212 WeakPolarHBondContact O-CA 3.36Å; L208-E212 WeakPolarHBondContact O-CB 3.4Å; L208-E212 PolarHBondContact O-N 3.17Å; L208-I215 HydrophobicContact CB-CD1 3.97Å; L208-I215 HydrophobicContact CD1-CD1 4.48Å; L208-A224 HydrophobicContact CD1-CB 4.26Å; L208-I227 HydrophobicContact CD1-CD1 3.53Å; L208-I227 HydrophobicContact CD2-CD1 3.91Å; L208-I227 HydrophobicContact CG-CD1 4.35Å; L208-I269 HydrophobicContact CD2-CD1 4.45Å; L208-E274 HydrophobicContact CD2-CG 4.4Å; L208-E274 WeakPolarHBondContact CD2-OE1 3.35Å
209R93.8Very high93.6Very high156 Ų15656.7 Ų56.759%0.58930%0.301SS*.Hα-helixtrans-65.3-33.9177.5-76.1174177-173.9-1.9112.8Q205 Q206 R211 S220Q205-R209 VanDerWaalsContact NE2-NH2 3.15Å; Q205-R209 WeakPolarHBondContact O-CG 3.27Å; Q205-R209 PolarHBondContact O-N 3.46Å; Q206-R209 PolarHBondContact O-N 3.25Å; Q206-R209 VanDerWaalsContact O-N 3.08Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R209-S220 PolarHBondContact NE-OG 3.07Å
210D92.6Very high93.5Very high124 Ų12454.7 Ų54.766%0.66329%0.291SS*.Hα-helixtrans-73.8-24.1-178.8-66.7-16.4000112.6Q206 L208Q206-D210 PolarHBondContact O-N 3.33Å; Q206-D210 VanDerWaalsContact O-N 3.08Å; L208-D210 VanDerWaalsContact C-N 3.29Å; L208-D210 PolarHBondContact O-N 2.85Å
211R93.6Very high93.3Very high98 Ų9858.6 Ų58.637%0.3731%0.312SS..Hα-helixtrans-114.6-47-173.9-170.5-176.671.4-125.8-0.4114.5L207 L208 R209 D270 E274L207-R211 PolarHBondContact O-N 3.39Å; L208-R211 PolarHBondContact O-N 2.9Å; R209-R211 VanDerWaalsContact C-N 3.31Å; R211-D270 PolarHBondContact NH2-O 2.91Å; R211-E274 IonicContact CZ-OE1 3.22Å; R211-E274 IonicContact CZ-OE2 3.97Å; R211-E274 IonicContact NH1-OE1 3.34Å; R211-E274 IonicContact NH1-OE2 2.95Å; R211-E274 PolarHBondContact NH1-OE2 3.32Å; R211-E274 IonicContact NH2-OE1 2.87Å; R211-E274 PolarHBondContact NH2-OE1 3.16Å; R211-E274 IonicContact NH2-OE2 3.46Å; R211-E274 PolarHBondContact NH2-OE2 2.99Å
212E91.2Very high93Very high36 Ų3664.2 Ų64.217%0.16834%0.337CS..  trans-96.3129.9-168.2-60-63.8133.400111.5L208 I215 I269 D270L208-E212 HydrophobicContact CD2-CG 4.12Å; L208-E212 WeakPolarHBondContact O-CA 3.36Å; L208-E212 WeakPolarHBondContact O-CB 3.4Å; L208-E212 PolarHBondContact O-N 3.17Å; E212-I215 HydrophobicContact CB-CD1 4.16Å; E212-I269 HydrophobicContact CB-CB 4.4Å; E212-I269 HydrophobicContact CB-CG2 4.16Å; E212-I269 HydrophobicContact CG-CB 4.16Å; E212-I269 HydrophobicContact CG-CG2 4.47Å; E212-D270 PolarHBondContact OE2-N 3.3Å
213A85.9Confident93Very high89 Ų8959.7 Ų59.774%0.73632%0.318SS*.  trans-96.5152.1169.800000110.6
214G86.6Confident93Very high60 Ų6058.7 Ų58.762%0.61931%0.313SS*.  trans93.52.6171.900000116P216G214-P216 WeakPolarHBondContact O-CD 3.15Å
215I92.4Very high92.9Very high28 Ų2862.1 Ų62.114%0.14433%0.328CS..  trans-72.7123.3166.9-56.6175.8000108.4L208 E212 T223 I269L208-I215 HydrophobicContact CB-CD1 3.97Å; L208-I215 HydrophobicContact CD1-CD1 4.48Å; E212-I215 HydrophobicContact CB-CD1 4.16Å; I215-T223 HydrophobicContact CD1-CG2 4.39Å; I215-T223 HydrophobicContact CG2-CG2 4.46Å; I215-I269 HydrophobicContact CD1-CD1 3.85Å; I215-I269 HydrophobicContact CD1-CG2 4.09Å; I215-I269 HydrophobicContact CG1-CD1 4.22Å; I215-I269 HydrophobicContact CG1-CG2 3.6Å
216P92.7Very high92.8Very high7 Ų762 Ų625%0.04533%0.331CS..  trans-61.5129.4175.1-20.633.5000110.4G214 E218 Q219 S220 N260 F267G214-P216 WeakPolarHBondContact O-CD 3.15Å; P216-E218 HydrophobicContact CB-CG 4.42Å; P216-E218 WeakPolarHBondContact CB-OE1 3.15Å; P216-E218 PolarHBondContact O-N 2.82Å; P216-Q219 HydrophobicContact CB-CB 4.31Å; P216-Q219 CarbonylContact O-C 3.53Å; P216-Q219 PolarHBondContact O-N 2.77Å; P216-S220 PolarHBondContact O-N 3.27Å; P216-S220 VanDerWaalsContact O-N 3.11Å; P216-N260 HydrophobicContact CG-CB 4.15Å; P216-N260 VanDerWaalsContact CG-ND2 3.3Å; P216-N260 WeakPolarHBondContact CG-ND2 3.4Å; P216-F267 HydrophobicContact CG-CD1 4.15Å; P216-F267 HydrophobicContact CG-CE1 4.12Å
217P90.1Very high92.9Very high105 Ų10556.6 Ų56.668%0.68231%0.306SS*.G310 helixtrans-54.1-39-176.6-28.235.4000113.6Q219 S220P217-Q219 VanDerWaalsContact C-N 3.29Å; P217-Q219 PolarHBondContact O-N 2.99Å; P217-S220 VanDerWaalsContact O-CB 3.27Å; P217-S220 WeakPolarHBondContact O-CB 3.32Å; P217-S220 PolarHBondContact O-N 3.38Å
218E88.7Confident93Very high115 Ų11555.6 Ų55.654%0.53730%0.3SS..G310 helixtrans-66.1-26.4177.864-80.8-173.800113.5P216P216-E218 HydrophobicContact CB-CG 4.42Å; P216-E218 WeakPolarHBondContact CB-OE1 3.15Å; P216-E218 PolarHBondContact O-N 2.82Å
219Q91Very high93Very high22 Ų2261.1 Ų61.110%0.10333%0.326CS..G310 helixtrans-104.98.5179.2-68.1179.5-76.300113.1P216 P217 L221 E222 T223 I259 N260 A261P216-Q219 HydrophobicContact CB-CB 4.31Å; P216-Q219 CarbonylContact O-C 3.53Å; P216-Q219 PolarHBondContact O-N 2.77Å; P217-Q219 VanDerWaalsContact C-N 3.29Å; P217-Q219 PolarHBondContact O-N 2.99Å; Q219-L221 VanDerWaalsContact C-N 3.33Å; Q219-L221 PolarHBondContact O-N 3.32Å; Q219-E222 PolarHBondContact NE2-OE2 2.89Å; Q219-E222 PolarHBondContact O-N 2.95Å; Q219-T223 WeakPolarHBondContact O-CB 3.47Å; Q219-T223 PolarHBondContact O-N 3.48Å; Q219-T223 PolarHBondContact O-OG1 3.28Å; Q219-I259 PolarHBondContact NE2-O 3.49Å; Q219-I259 PolarHBondContact OE1-O 2.87Å; Q219-N260 VanDerWaalsContact OE1-CA 3.29Å; Q219-A261 HydrophobicContact CG-CB 4.41Å
220S93.8Very high93.1Very high8 Ų862.3 Ų62.36%0.05633%0.33CS..Hα-helixtrans-61-40.9-175.8179.60000112.2Q205 R209 P216 P217 A224Q205-S220 WeakPolarHBondContact CG-OG 3.24Å; Q205-S220 PolarHBondContact NE2-OG 3.31Å; R209-S220 PolarHBondContact NE-OG 3.07Å; P216-S220 PolarHBondContact O-N 3.27Å; P216-S220 VanDerWaalsContact O-N 3.11Å; P217-S220 VanDerWaalsContact O-CB 3.27Å; P217-S220 WeakPolarHBondContact O-CB 3.32Å; P217-S220 PolarHBondContact O-N 3.38Å; S220-A224 PolarHBondContact O-N 3.32Å; S220-A224 VanDerWaalsContact O-N 3.15Å
221L92.9Very high93.3Very high82 Ų8258.9 Ų58.943%0.42931%0.308SS..Hα-helixtrans-72.9-41.6179.2-17068.3000112.3T201 F202 Q219 T223 A224 K225T201-L221 HydrophobicContact CG2-CD1 3.79Å; T201-L221 HydrophobicContact CG2-CG 4.48Å; F202-L221 HydrophobicContact CD1-CD1 3.66Å; F202-L221 HydrophobicContact CE1-CD1 3.51Å; Q219-L221 VanDerWaalsContact C-N 3.33Å; Q219-L221 PolarHBondContact O-N 3.32Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.11Å; L221-A224 PolarHBondContact O-N 2.93Å; L221-K225 WeakPolarHBondContact O-CB 3.27Å; L221-K225 PolarHBondContact O-N 3Å
222E92.3Very high93.5Very high124 Ų12454.9 Ų54.958%0.57930%0.295SS*.Hα-helixtrans-59.4-45.3176.6-173.9-171.7-178.500110.8Q219 K225 A226Q219-E222 PolarHBondContact NE2-OE2 2.89Å; Q219-E222 PolarHBondContact O-N 2.95Å; E222-K225 PolarHBondContact O-N 3.28Å; E222-A226 WeakPolarHBondContact O-CB 3.43Å; E222-A226 PolarHBondContact O-N 2.94Å
223T95.2Very high93.8Very high4 Ų453.6 Ų53.63%0.02529%0.289CS..Hα-helixtrans-61.9-47.3178-580000111.4I215 Q219 L221 K225 A226 I227 F256 F267 I269I215-T223 HydrophobicContact CD1-CG2 4.39Å; I215-T223 HydrophobicContact CG2-CG2 4.46Å; Q219-T223 WeakPolarHBondContact O-CB 3.47Å; Q219-T223 PolarHBondContact O-N 3.48Å; Q219-T223 PolarHBondContact O-OG1 3.28Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.11Å; T223-K225 VanDerWaalsContact C-N 3.34Å; T223-K225 PolarHBondContact O-N 3.16Å; T223-A226 PolarHBondContact O-N 3.46Å; T223-I227 HydrophobicContact CG2-CD1 4.12Å; T223-I227 WeakPolarHBondContact O-CG1 3.41Å; T223-I227 PolarHBondContact O-N 3.08Å; T223-F256 HydrophobicContact CG2-CD1 4.06Å; T223-F256 HydrophobicContact CG2-CE1 3.82Å; T223-F267 HydrophobicContact CG2-CE2 4.4Å; T223-I269 HydrophobicContact CG2-CD1 3.42Å; T223-I269 VanDerWaalsContact CG2-CD1 3.42Å
224A97.3Very high94.4Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-61.6-41177.400000112.2T201 I204 Q205 L208 S220 L221 I227 K228T201-A224 HydrophobicContact CG2-CB 4.01Å; I204-A224 HydrophobicContact CB-CB 4.46Å; I204-A224 HydrophobicContact CG2-CB 4.05Å; Q205-A224 HydrophobicContact CB-CB 3.79Å; Q205-A224 HydrophobicContact CG-CB 4.48Å; L208-A224 HydrophobicContact CD1-CB 4.26Å; S220-A224 PolarHBondContact O-N 3.32Å; S220-A224 VanDerWaalsContact O-N 3.15Å; L221-A224 PolarHBondContact O-N 2.93Å; A224-I227 PolarHBondContact O-N 3.39Å; A224-K228 WeakPolarHBondContact O-CB 3.48Å; A224-K228 PolarHBondContact O-N 2.95Å
225K95.9Very high94.8Very high73 Ų7346.7 Ų46.732%0.31723%0.225SC..Hα-helixtrans-64.5-44.3176-176.7-175.9174.5-166.20111.7Y16 T201 L221 E222 T223 I227 K228 E229Y16-K225 WeakPolarHBondContact OH-CE 3.22Å; Y16-K225 PolarHBondContact OH-NZ 2.87Å; T201-K225 HydrophobicContact CG2-CB 3.94Å; L221-K225 WeakPolarHBondContact O-CB 3.27Å; L221-K225 PolarHBondContact O-N 3Å; E222-K225 PolarHBondContact O-N 3.28Å; T223-K225 VanDerWaalsContact C-N 3.34Å; T223-K225 PolarHBondContact O-N 3.16Å; K225-I227 VanDerWaalsContact C-N 3.29Å; K225-I227 PolarHBondContact O-N 3.16Å; K225-K228 WeakPolarHBondContact O-CB 3.45Å; K225-K228 PolarHBondContact O-N 2.76Å; K225-E229 WeakPolarHBondContact CE-OE1 3.29Å; K225-E229 WeakPolarHBondContact CG-OE1 3.44Å; K225-E229 WeakPolarHBondContact O-CG 3.45Å; K225-E229 PolarHBondContact O-N 2.91Å
226A96.1Very high94.9Very high18 Ų1848.9 Ų48.915%0.14924%0.241CC..Hα-helixtrans-62.1-38.8176.300000111.7E222 T223 R230 F256E222-A226 WeakPolarHBondContact O-CB 3.43Å; E222-A226 PolarHBondContact O-N 2.94Å; T223-A226 PolarHBondContact O-N 3.46Å; A226-R230 VanDerWaalsContact O-CB 3.31Å; A226-R230 WeakPolarHBondContact O-CB 3.36Å; A226-R230 WeakPolarHBondContact O-CG 3.43Å; A226-R230 PolarHBondContact O-N 3.24Å; A226-R230 VanDerWaalsContact O-N 3.11Å; A226-F256 HydrophobicContact CB-CE2 3.81Å; A226-F256 HydrophobicContact CB-CZ 3.96Å
227I97.1Very high95Very high0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-64.1-48.2175.2-75.3169.3000111.2I204 L208 T223 A224 K225 E229 R230 Y231 F256 I269 V271 E274I204-I227 HydrophobicContact CG2-CB 4.44Å; I204-I227 HydrophobicContact CG2-CG2 4.06Å; L208-I227 HydrophobicContact CD1-CD1 3.53Å; L208-I227 HydrophobicContact CD2-CD1 3.91Å; L208-I227 HydrophobicContact CG-CD1 4.35Å; T223-I227 HydrophobicContact CG2-CD1 4.12Å; T223-I227 WeakPolarHBondContact O-CG1 3.41Å; T223-I227 PolarHBondContact O-N 3.08Å; A224-I227 PolarHBondContact O-N 3.39Å; K225-I227 VanDerWaalsContact C-N 3.29Å; K225-I227 PolarHBondContact O-N 3.16Å; I227-E229 VanDerWaalsContact C-N 3.33Å; I227-E229 PolarHBondContact O-N 2.89Å; I227-R230 PolarHBondContact O-N 3.15Å; I227-Y231 HydrophobicContact CG1-CD2 4.45Å; I227-Y231 PolarHBondContact O-N 3.21Å; I227-F256 HydrophobicContact CG1-CD2 4.47Å; I227-F256 HydrophobicContact CG1-CG 4.42Å; I227-I269 HydrophobicContact CD1-CD1 3.65Å; I227-V271 HydrophobicContact CD1-CG2 3.81Å; I227-V271 HydrophobicContact CG1-CG1 4.42Å; I227-V271 HydrophobicContact CG1-CG2 4.01Å; I227-V271 HydrophobicContact CG2-CG1 3.77Å; I227-E274 HydrophobicContact CG2-CG 4.06Å
228K97.7Very high95.2Very high16 Ų1648.1 Ų48.17%0.0723%0.231CC..Hα-helixtrans-51.2-51.7175.9-176.4-171.871.9-173.60111.9G197 I200 T201 I204 A224 K225 C232 F328G197-K228 PolarHBondContact O-NZ 3.45Å; G197-K228 VanDerWaalsContact O-NZ 3.07Å; I200-K228 HydrophobicContact CB-CD 4.18Å; I200-K228 HydrophobicContact CG2-CD 3.78Å; I200-K228 HydrophobicContact CG2-CG 3.91Å; T201-K228 PolarHBondContact OG1-NZ 3.12Å; I204-K228 HydrophobicContact CD1-CB 3.69Å; I204-K228 HydrophobicContact CD1-CG 4.01Å; A224-K228 WeakPolarHBondContact O-CB 3.48Å; A224-K228 PolarHBondContact O-N 2.95Å; K225-K228 WeakPolarHBondContact O-CB 3.45Å; K225-K228 PolarHBondContact O-N 2.76Å; K228-C232 WeakPolarHBondContact O-CB 3.44Å; K228-F328 HydrophobicContact CD-CZ 4.25Å; K228-F328 HydrophobicContact CG-CE1 3.93Å; K228-F328 HydrophobicContact CG-CZ 3.8Å
229E95.9Very high95.6Very high119 Ų11948 Ų4856%0.55624%0.238SC*.Hα-helixtrans-76.4-28.9-171.9-68.7174.7-172.500113.2K225 I227K225-E229 WeakPolarHBondContact CE-OE1 3.29Å; K225-E229 WeakPolarHBondContact CG-OE1 3.44Å; K225-E229 WeakPolarHBondContact O-CG 3.45Å; K225-E229 PolarHBondContact O-N 2.91Å; I227-E229 VanDerWaalsContact C-N 3.33Å; I227-E229 PolarHBondContact O-N 2.89Å
230R96.3Very high95.8Very high180 Ų18055.5 Ų55.568%0.67927%0.265SS*.Hα-helixtrans-99.5-33.1-173.9-65178.1-176.4-174.53.1114.5A226 I227A226-R230 VanDerWaalsContact O-CB 3.31Å; A226-R230 WeakPolarHBondContact O-CB 3.36Å; A226-R230 WeakPolarHBondContact O-CG 3.43Å; A226-R230 PolarHBondContact O-N 3.24Å; A226-R230 VanDerWaalsContact O-N 3.11Å; I227-R230 PolarHBondContact O-N 3.15Å
231Y97.1Very high95.9Very high52 Ų5255.3 Ų55.320%0.20426%0.264CS..Hα-helixtrans-119.9-19.5-166.3-59.2-91.2000114.5I227 K254 Q255 F256 V271 R275I227-Y231 HydrophobicContact CG1-CD2 4.45Å; I227-Y231 PolarHBondContact O-N 3.21Å; Y231-K254 HydrophobicContact CD1-CB 3.85Å; Y231-K254 HydrophobicContact CD1-CG 4.06Å; Y231-K254 HydrophobicContact CE1-CB 3.83Å; Y231-K254 HydrophobicContact CE1-CG 4.34Å; Y231-Q255 PolarHBondContact OH-O 3.35Å; Y231-F256 AromaticContact CE2-CD2 3.91Å; Y231-F256 HydrophobicContact CE2-CD2 3.91Å; Y231-V271 HydrophobicContact CG-CG1 4.18Å; Y231-R275 PolarHBondContact O-NE 3.34Å; Y231-R275 PolarHBondContact O-NH2 2.79Å
232C98Very high96.1Very high15 Ų1554.4 Ų54.410%0.10126%0.256CS..  trans-79150.4-174.8-66.20000113.5K228 E274 R275 P279 F328K228-C232 WeakPolarHBondContact O-CB 3.44Å; C232-E274 PolarHBondContact SG-O 3.07Å; C232-E274 VanDerWaalsContact SG-O 3.38Å; C232-R275 CarbonylContact C-O 3.51Å; C232-R275 WeakPolarHBondContact CA-O 3.45Å; C232-R275 VanDerWaalsContact CB-O 3.26Å; C232-R275 WeakPolarHBondContact CB-O 3.2Å; C232-P279 HydrophobicContact CB-CG 3.71Å; C232-F328 HydrophobicContact CB-CD1 4.12Å; C232-F328 HydrophobicContact CB-CE1 3.86Å
233Y97.8Very high96.3Very high9 Ų951.1 Ų51.14%0.03525%0.25CS..BIsolated β-bridgetrans-157.5160.9-18062.5-83.5000110.5C235 E241 Y245 R275 F276Y233-C235 HydrophobicContact CE2-CB 4.43Å; Y233-E241 WeakPolarHBondContact CE2-OE1 3.32Å; Y233-E241 PolarHBondContact OH-OE1 3.22Å; Y233-Y245 WeakPolarHBondContact OH-CE2 3.23Å; Y233-Y245 PolarHBondContact OH-OH 3.09Å; Y233-R275 HydrophobicContact CD1-CB 4.27Å; Y233-R275 HydrophobicContact CE1-CB 3.88Å; Y233-R275 PolarHBondContact N-O 2.81Å; Y233-F276 HydrophobicContact CE2-CB 4.35Å; Y233-F276 WeakPolarHBondContact O-CA 3.39Å
234I97.6Very high96.3Very high2 Ų254.6 Ų54.61%0.0127%0.265CS..  trans-86.6129.8174.5-68.8-73.5000110P279 F283 F328 R329 D330 F331 R334I234-P279 HydrophobicContact CD1-CB 3.35Å; I234-P279 WeakPolarHBondContact CD1-O 3.46Å; I234-P279 HydrophobicContact CG1-CB 4.01Å; I234-F283 HydrophobicContact CD1-CD2 4.04Å; I234-F283 HydrophobicContact CD1-CE2 3.67Å; I234-F283 HydrophobicContact CG1-CE2 4.43Å; I234-F283 HydrophobicContact CG2-CE2 4.32Å; I234-F328 HydrophobicContact CG1-CB 4.06Å; I234-R329 WeakPolarHBondContact CB-O 3.13Å; I234-R329 PolarHBondContact N-O 3.19Å; I234-D330 HydrophobicContact CB-CB 4.47Å; I234-F331 HydrophobicContact CD1-CD2 4.37Å; I234-F331 HydrophobicContact CG1-CB 4.18Å; I234-F331 HydrophobicContact CG1-CD2 4.1Å; I234-R334 HydrophobicContact CG2-CB 3.48Å; I234-R334 VanDerWaalsContact CG2-CB 3.48Å; I234-R334 HydrophobicContact CG2-CG 3.65Å
235C96.1Very high96.2Very high1 Ų154.8 Ų54.81%0.00727%0.266CS..  trans-93.3154.6174.478.60000111.3Y233 E241 F276 R334Y233-C235 HydrophobicContact CE2-CB 4.43Å; C235-E241 HydrophobicContact CB-CB 4.1Å; C235-E241 HydrophobicContact CB-CG 3.83Å; C235-F276 HydrophobicContact CB-CB 3.96Å; C235-R334 PolarHBondContact O-NH1 2.81Å
236P93.7Very high96.1Very high74 Ų7455.9 Ų55.948%0.48128%0.275SS..SBendtrans-77.6-29.3176.429.2-33.5000113.3R337P236-R337 PolarHBondContact O-NH1 3.4Å; P236-R337 PolarHBondContact O-NH2 2.94Å
237D94.7Very high96.1Very high67 Ų6759.5 Ų59.536%0.35830%0.3SS..  trans-156.2121.4-174.7-179.2-72.8000108.8V239 R240 E241D237-V239 PolarHBondContact OD1-N 3.47Å; D237-V239 VanDerWaalsContact OD1-N 3.16Å; D237-R240 HydrophobicContact CB-CB 4.19Å; D237-R240 HydrophobicContact CB-CG 4.31Å; D237-R240 WeakPolarHBondContact OD1-CB 3.49Å; D237-R240 WeakPolarHBondContact OD1-CG 3.38Å; D237-R240 PolarHBondContact OD1-N 3.29Å; D237-E241 WeakPolarHBondContact O-CB 3.34Å; D237-E241 PolarHBondContact O-N 2.9Å; D237-E241 VanDerWaalsContact O-N 3.11Å
238I94.6Very high96Very high29 Ų2962.9 Ų62.915%0.14932%0.317CS..Hα-helixtrans-65.9-46.2-171.9-60.9168000111.4R240 E241 F242 F276 L277 E280 F287I238-R240 PolarHBondContact O-N 3.36Å; I238-E241 WeakPolarHBondContact O-CB 3.36Å; I238-E241 PolarHBondContact O-N 3.43Å; I238-F242 HydrophobicContact CG2-CD2 3.63Å; I238-F242 HydrophobicContact CG2-CE2 3.36Å; I238-F242 VanDerWaalsContact O-CD2 3.28Å; I238-F242 WeakPolarHBondContact O-CD2 3.4Å; I238-F242 PolarHBondContact O-N 2.93Å; I238-F276 HydrophobicContact CG2-CE2 4.3Å; I238-L277 HydrophobicContact CG2-CD2 4.47Å; I238-E280 HydrophobicContact CD1-CG 3.47Å; I238-E280 VanDerWaalsContact CD1-CG 3.47Å; I238-E280 HydrophobicContact CG1-CG 3.83Å; I238-F287 HydrophobicContact CD1-CE2 4.06Å; I238-F287 HydrophobicContact CD1-CZ 4.16Å
239V95.7Very high95.7Very high114 Ų11465 Ų6569%0.69133%0.333SS*.Hα-helixtrans-64.9-42.4-175179.50000110.7D237 E241 F242 A243D237-V239 PolarHBondContact OD1-N 3.47Å; D237-V239 VanDerWaalsContact OD1-N 3.16Å; V239-E241 VanDerWaalsContact C-N 3.27Å; V239-E241 PolarHBondContact O-N 3.32Å; V239-F242 PolarHBondContact O-N 3.02Å; V239-A243 PolarHBondContact O-N 3.29Å; V239-A243 VanDerWaalsContact O-N 3.11Å
240R95.5Very high95.5Very high178 Ų17862.9 Ų62.967%0.67234%0.343SS*.Hα-helixtrans-65.7-32.8174-69.5179.7-178.5-165.6-0.7112.3D237 I238 K244D237-R240 HydrophobicContact CB-CB 4.19Å; D237-R240 HydrophobicContact CB-CG 4.31Å; D237-R240 WeakPolarHBondContact OD1-CB 3.49Å; D237-R240 WeakPolarHBondContact OD1-CG 3.38Å; D237-R240 PolarHBondContact OD1-N 3.29Å; I238-R240 PolarHBondContact O-N 3.36Å; R240-K244 WeakPolarHBondContact O-CG 3.45Å; R240-K244 PolarHBondContact O-N 3.42Å
241E96.3Very high95.3Very high5 Ų560.2 Ų60.22%0.02334%0.336CS..Hα-helixtrans-70.4-43.9177.8-15267.9-170.700110.9Y233 C235 D237 I238 V239 A243 K244 Y245 F276Y233-E241 WeakPolarHBondContact CE2-OE1 3.32Å; Y233-E241 PolarHBondContact OH-OE1 3.22Å; C235-E241 HydrophobicContact CB-CB 4.1Å; C235-E241 HydrophobicContact CB-CG 3.83Å; D237-E241 WeakPolarHBondContact O-CB 3.34Å; D237-E241 PolarHBondContact O-N 2.9Å; D237-E241 VanDerWaalsContact O-N 3.11Å; I238-E241 WeakPolarHBondContact O-CB 3.36Å; I238-E241 PolarHBondContact O-N 3.43Å; V239-E241 VanDerWaalsContact C-N 3.27Å; V239-E241 PolarHBondContact O-N 3.32Å; E241-A243 PolarHBondContact O-N 2.95Å; E241-K244 WeakPolarHBondContact O-CB 3.34Å; E241-K244 PolarHBondContact O-N 3.36Å; E241-K244 VanDerWaalsContact O-N 3.11Å; E241-K244 IonicContact OE2-NZ 3.87Å; E241-K244 PolarHBondContact OE2-NZ 3.15Å; E241-Y245 HydrophobicContact CG-CE2 4.18Å; E241-Y245 VanDerWaalsContact O-CD2 3.32Å; E241-Y245 WeakPolarHBondContact O-CD2 3.16Å; E241-Y245 PolarHBondContact O-N 3.36Å; E241-F276 HydrophobicContact CB-CD1 4.38Å; E241-F276 HydrophobicContact CB-CD2 4.28Å; E241-F276 HydrophobicContact CB-CE1 4.35Å; E241-F276 HydrophobicContact CB-CE2 4.27Å; E241-F276 HydrophobicContact CB-CG 4.34Å; E241-F276 HydrophobicContact CB-CZ 4.3Å; E241-F276 HydrophobicContact CG-CB 4.29Å; E241-F276 HydrophobicContact CG-CD1 3.62Å; E241-F276 HydrophobicContact CG-CD2 4.23Å; E241-F276 HydrophobicContact CG-CE1 3.91Å; E241-F276 HydrophobicContact CG-CG 3.79Å; E241-F276 HydrophobicContact CG-CZ 4.35Å
242F96.3Very high95.2Very high63 Ų6360.9 Ų60.928%0.27634%0.339SS..Hα-helixtrans-54.4-50.3171.2-81.7-67.7000112.2I238 V239 K244 Y245 D246 Y273 F276 L277I238-F242 HydrophobicContact CG2-CD2 3.63Å; I238-F242 HydrophobicContact CG2-CE2 3.36Å; I238-F242 VanDerWaalsContact O-CD2 3.28Å; I238-F242 WeakPolarHBondContact O-CD2 3.4Å; I238-F242 PolarHBondContact O-N 2.93Å; V239-F242 PolarHBondContact O-N 3.02Å; F242-K244 PolarHBondContact O-N 3.21Å; F242-K244 VanDerWaalsContact O-N 3.11Å; F242-Y245 PolarHBondContact O-N 3.42Å; F242-D246 PolarHBondContact O-N 3.21Å; F242-Y273 AromaticContact CD1-CD1 3.73Å; F242-Y273 HydrophobicContact CD1-CD1 3.73Å; F242-Y273 AromaticContact CD1-CE1 3.74Å; F242-Y273 HydrophobicContact CD1-CE1 3.74Å; F242-Y273 HydrophobicContact CD1-CG 4.13Å; F242-Y273 AromaticContact CE1-CD1 3.77Å; F242-Y273 HydrophobicContact CE1-CD1 3.77Å; F242-Y273 AromaticContact CE1-CD2 3.97Å; F242-Y273 HydrophobicContact CE1-CD2 3.97Å; F242-Y273 HydrophobicContact CE1-CE1 4.12Å; F242-Y273 HydrophobicContact CE1-CE2 4.33Å; F242-Y273 AromaticContact CE1-CG 3.68Å; F242-Y273 HydrophobicContact CE1-CG 3.68Å; F242-F276 HydrophobicContact CD1-CE2 4.45Å; F242-F276 AromaticContact CD1-CZ 3.84Å; F242-F276 HydrophobicContact CD1-CZ 3.84Å; F242-F276 HydrophobicContact CD2-CE2 4.16Å; F242-F276 HydrophobicContact CD2-CZ 4.27Å; F242-F276 HydrophobicContact CE1-CE2 4.24Å; F242-F276 AromaticContact CE1-CZ 3.84Å; F242-F276 HydrophobicContact CE1-CZ 3.84Å; F242-F276 AromaticContact CE2-CE2 3.95Å; F242-F276 HydrophobicContact CE2-CE2 3.95Å; F242-F276 HydrophobicContact CE2-CZ 4.29Å; F242-F276 HydrophobicContact CG-CE2 4.41Å; F242-F276 HydrophobicContact CG-CZ 4.06Å; F242-F276 AromaticContact CZ-CE2 3.99Å; F242-F276 HydrophobicContact CZ-CE2 3.99Å; F242-F276 HydrophobicContact CZ-CZ 4.08Å; F242-L277 HydrophobicContact CE1-CD1 4.47Å; F242-L277 HydrophobicContact CE2-CD2 4.22Å; F242-L277 HydrophobicContact CZ-CD1 3.98Å; F242-L277 HydrophobicContact CZ-CD2 3.93Å; F242-L277 HydrophobicContact CZ-CG 4.28Å
243A96.8Very high95Very high55 Ų5563.1 Ų63.146%0.45535%0.349SS..Hα-helixtrans-57.9-30.5179.300000113.4V239 E241 S247V239-A243 PolarHBondContact O-N 3.29Å; V239-A243 VanDerWaalsContact O-N 3.11Å; E241-A243 PolarHBondContact O-N 2.95Å; A243-S247 VanDerWaalsContact O-CB 3.25Å; A243-S247 WeakPolarHBondContact O-CB 3.34Å; A243-S247 PolarHBondContact O-N 2.78Å; A243-S247 PolarHBondContact O-OG 3.01Å
244K94.9Very high94.9Very high77 Ų7766.5 Ų66.534%0.33536%0.364SS..Hα-helixtrans-70.4-41.2175.2-71.5170.4-167.6165.80112.5R240 E241 F242 D246 S247 D248 W252R240-K244 WeakPolarHBondContact O-CG 3.45Å; R240-K244 PolarHBondContact O-N 3.42Å; E241-K244 WeakPolarHBondContact O-CB 3.34Å; E241-K244 PolarHBondContact O-N 3.36Å; E241-K244 VanDerWaalsContact O-N 3.11Å; E241-K244 IonicContact OE2-NZ 3.87Å; E241-K244 PolarHBondContact OE2-NZ 3.15Å; F242-K244 PolarHBondContact O-N 3.21Å; F242-K244 VanDerWaalsContact O-N 3.11Å; K244-D246 VanDerWaalsContact C-N 3.35Å; K244-S247 WeakPolarHBondContact CA-OG 3.27Å; K244-S247 PolarHBondContact O-OG 3.18Å; K244-D248 PolarHBondContact O-N 3.35Å; K244-D248 VanDerWaalsContact O-N 3.13Å; K244-W252 HydrophobicContact CD-CZ2 4.32Å; K244-W252 VanDerWaalsContact O-CD1 3.23Å
245Y95.6Very high94.8Very high3 Ų372.7 Ų72.71%0.01239%0.393CS..Hα-helixtrans-68.2-39178.8-82.8-112.6000110.7Y233 E241 F242 P249 W252 I253 G272 Y273 R275 F276Y233-Y245 WeakPolarHBondContact OH-CE2 3.23Å; Y233-Y245 PolarHBondContact OH-OH 3.09Å; E241-Y245 HydrophobicContact CG-CE2 4.18Å; E241-Y245 VanDerWaalsContact O-CD2 3.32Å; E241-Y245 WeakPolarHBondContact O-CD2 3.16Å; E241-Y245 PolarHBondContact O-N 3.36Å; F242-Y245 PolarHBondContact O-N 3.42Å; Y245-P249 VanDerWaalsContact O-CA 3.31Å; Y245-P249 WeakPolarHBondContact O-CA 3.38Å; Y245-P249 WeakPolarHBondContact O-CD 3.29Å; Y245-P249 VanDerWaalsContact O-CG 3.31Å; Y245-P249 WeakPolarHBondContact O-CG 3.42Å; Y245-W252 HydrophobicContact CD1-CB 3.81Å; Y245-W252 HydrophobicContact CD2-CB 4.01Å; Y245-W252 HydrophobicContact CD2-CG 4.31Å; Y245-W252 HydrophobicContact CE1-CB 3.85Å; Y245-W252 HydrophobicContact CE2-CB 4.06Å; Y245-W252 HydrophobicContact CE2-CD2 4.48Å; Y245-W252 HydrophobicContact CE2-CE3 4.31Å; Y245-W252 HydrophobicContact CE2-CG 4.39Å; Y245-W252 HydrophobicContact CG-CB 3.89Å; Y245-I253 HydrophobicContact CD1-CG1 4.41Å; Y245-G272 WeakPolarHBondContact CE1-O 3.34Å; Y245-Y273 HydrophobicContact CD1-CD1 4.06Å; Y245-Y273 HydrophobicContact CD1-CE1 4.28Å; Y245-Y273 HydrophobicContact CG-CD1 4.08Å; Y245-Y273 HydrophobicContact CG-CE1 4.1Å; Y245-R275 PolarHBondContact OH-NH1 2.93Å; Y245-F276 HydrophobicContact CD2-CD1 4.44Å; Y245-F276 AromaticContact CD2-CE1 3.84Å; Y245-F276 HydrophobicContact CD2-CE1 3.84Å; Y245-F276 HydrophobicContact CE1-CE1 4.48Å; Y245-F276 AromaticContact CE2-CD1 3.78Å; Y245-F276 HydrophobicContact CE2-CD1 3.78Å; Y245-F276 AromaticContact CE2-CE1 3.62Å; Y245-F276 HydrophobicContact CE2-CE1 3.62Å; Y245-F276 HydrophobicContact CG-CE1 4.35Å; Y245-F276 AromaticContact CZ-CD1 3.99Å; Y245-F276 AromaticContact CZ-CE1 3.98Å
246D94.7Very high94.7Very high96 Ų9673.3 Ų73.351%0.51340%0.395SS..Hα-helixtrans-73.1-33.6-179.7-60-15.7000112.4F242 K244 Y273F242-D246 PolarHBondContact O-N 3.21Å; K244-D246 VanDerWaalsContact C-N 3.35Å; D246-Y273 PolarHBondContact OD1-OH 2.78Å
247S95.9Very high94.7Very high95 Ų9575.8 Ų75.866%0.66440%0.4SS*.Hα-helixtrans-78.7-33.4179.654.50000114.2A243 K244A243-S247 VanDerWaalsContact O-CB 3.25Å; A243-S247 WeakPolarHBondContact O-CB 3.34Å; A243-S247 PolarHBondContact O-N 2.78Å; A243-S247 PolarHBondContact O-OG 3.01Å; K244-S247 WeakPolarHBondContact CA-OG 3.27Å; K244-S247 PolarHBondContact O-OG 3.18Å
248D94.1Very high94.6Very high70 Ų7073 Ų7337%0.37439%0.388SS..  trans-139.270.4179.1-171.94000112.1K244 G250 K251 W252K244-D248 PolarHBondContact O-N 3.35Å; K244-D248 VanDerWaalsContact O-N 3.13Å; D248-G250 VanDerWaalsContact C-N 3.3Å; D248-G250 PolarHBondContact O-N 2.62Å; D248-K251 HydrophobicContact CB-CB 4.45Å; D248-K251 VanDerWaalsContact CG-CB 3.47Å; D248-K251 PolarHBondContact O-N 3.28Å; D248-K251 PolarHBondContact OD1-N 3.15Å; D248-K251 WeakPolarHBondContact OD2-CB 3.39Å; D248-K251 VanDerWaalsContact OD2-CD 3.25Å; D248-K251 WeakPolarHBondContact OD2-CD 3.42Å; D248-W252 VanDerWaalsContact O-CD1 3.24Å; D248-W252 PolarHBondContact O-N 3.03Å
249P91.8Very high94.5Very high60 Ų6076.8 Ų76.839%0.3941%0.407SS..Hα-helixtrans-59.3-39.3-176.4-22.931.6000113Y245 K251 W252 I253Y245-P249 VanDerWaalsContact O-CA 3.31Å; Y245-P249 WeakPolarHBondContact O-CA 3.38Å; Y245-P249 WeakPolarHBondContact O-CD 3.29Å; Y245-P249 VanDerWaalsContact O-CG 3.31Å; Y245-P249 WeakPolarHBondContact O-CG 3.42Å; P249-K251 PolarHBondContact O-N 3.42Å; P249-W252 PolarHBondContact O-N 3.15Å; P249-I253 HydrophobicContact CB-CD1 3.82Å; P249-I253 HydrophobicContact CB-CG1 4.33Å; P249-I253 WeakPolarHBondContact O-CB 3.16Å; P249-I253 WeakPolarHBondContact O-CG1 3.26Å; P249-I253 PolarHBondContact O-N 3.42Å
250G91.4Very high94.3Very high75 Ų7572.5 Ų72.577%0.77338%0.381SS*.Hα-helixtrans-63.2-24.9-176.400000114D248D248-G250 VanDerWaalsContact C-N 3.3Å; D248-G250 PolarHBondContact O-N 2.62Å
251K93.3Very high93.9Very high124 Ų12466.2 Ų66.254%0.53937%0.367SS..Hα-helixtrans-85.7-37.4176-175.2175.8-179.8175.70113D248 P249 K254D248-K251 HydrophobicContact CB-CB 4.45Å; D248-K251 VanDerWaalsContact CG-CB 3.47Å; D248-K251 PolarHBondContact O-N 3.28Å; D248-K251 PolarHBondContact OD1-N 3.15Å; D248-K251 WeakPolarHBondContact OD2-CB 3.39Å; D248-K251 VanDerWaalsContact OD2-CD 3.25Å; D248-K251 WeakPolarHBondContact OD2-CD 3.42Å; P249-K251 PolarHBondContact O-N 3.42Å; K251-K254 PolarHBondContact O-NZ 2.96Å
252W93.6Very high93.6Very high66 Ų6671.3 Ų71.325%0.2540%0.398CS..Hα-helixtrans-99.2-36-167.9-67.3108.8000114.1K244 Y245 D248 P249 R275K244-W252 HydrophobicContact CD-CZ2 4.32Å; K244-W252 VanDerWaalsContact O-CD1 3.23Å; Y245-W252 HydrophobicContact CD1-CB 3.81Å; Y245-W252 HydrophobicContact CD2-CB 4.01Å; Y245-W252 HydrophobicContact CD2-CG 4.31Å; Y245-W252 HydrophobicContact CE1-CB 3.85Å; Y245-W252 HydrophobicContact CE2-CB 4.06Å; Y245-W252 HydrophobicContact CE2-CD2 4.48Å; Y245-W252 HydrophobicContact CE2-CE3 4.31Å; Y245-W252 HydrophobicContact CE2-CG 4.39Å; Y245-W252 HydrophobicContact CG-CB 3.89Å; D248-W252 VanDerWaalsContact O-CD1 3.24Å; D248-W252 PolarHBondContact O-N 3.03Å; P249-W252 PolarHBondContact O-N 3.15Å; W252-R275 PolarHBondContact O-NH1 2.86Å
253I95Very high93.3Very high63 Ų6372 Ų7232%0.32341%0.408SS..  trans-68.8133.1171.7-59.2-178.8000108.1Y245 P249 D270Y245-I253 HydrophobicContact CD1-CG1 4.41Å; P249-I253 HydrophobicContact CB-CD1 3.82Å; P249-I253 HydrophobicContact CB-CG1 4.33Å; P249-I253 WeakPolarHBondContact O-CB 3.16Å; P249-I253 WeakPolarHBondContact O-CG1 3.26Å; P249-I253 PolarHBondContact O-N 3.42Å; I253-D270 HydrophobicContact CG2-CB 3.88Å
254K95.7Very high93Very high79 Ų7976.8 Ų76.834%0.34342%0.418SS..EExtended strand (participates in β ladder)trans-112.4161.4176.1-60.1-59172.5-155.70109.3Y231 K251 D270 V271Y231-K254 HydrophobicContact CD1-CB 3.85Å; Y231-K254 HydrophobicContact CD1-CG 4.06Å; Y231-K254 HydrophobicContact CE1-CB 3.83Å; Y231-K254 HydrophobicContact CE1-CG 4.34Å; K251-K254 PolarHBondContact O-NZ 2.96Å; K254-D270 CarbonylContact O-C 3.6Å; K254-V271 HydrophobicContact CB-CB 4.32Å; K254-V271 PolarHBondContact N-O 3.35Å; K254-V271 PolarHBondContact O-N 3.2Å
255Q94.5Very high92.9Very high133 Ų13376.7 Ų76.762%0.62142%0.424SS*.EExtended strand (participates in β ladder)trans-109.3136172.8-66-164.8-34.300109.6Y231 I269 D270Y231-Q255 PolarHBondContact OH-O 3.35Å; Q255-I269 WeakPolarHBondContact CA-O 3.44Å; Q255-D270 WeakPolarHBondContact CG-OD1 3.28Å; Q255-D270 PolarHBondContact NE2-OD1 2.89Å; Q255-D270 VanDerWaalsContact NE2-OD1 3.14Å
256F95.1Very high92.8Very high14 Ų1480.1 Ų80.16%0.06145%0.447CS..EExtended strand (participates in β ladder)trans-108.6135.3169.4176.2-93.7000108.8T223 A226 I227 Y231 F267 H268 I269 V271T223-F256 HydrophobicContact CG2-CD1 4.06Å; T223-F256 HydrophobicContact CG2-CE1 3.82Å; A226-F256 HydrophobicContact CB-CE2 3.81Å; A226-F256 HydrophobicContact CB-CZ 3.96Å; I227-F256 HydrophobicContact CG1-CD2 4.47Å; I227-F256 HydrophobicContact CG1-CG 4.42Å; Y231-F256 AromaticContact CE2-CD2 3.91Å; Y231-F256 HydrophobicContact CE2-CD2 3.91Å; F256-F267 HydrophobicContact CD1-CE2 4.5Å; F256-F267 HydrophobicContact CE1-CE2 4.31Å; F256-F267 HydrophobicContact CE1-CZ 4.36Å; F256-H268 WeakPolarHBondContact O-CA 3.4Å; F256-I269 HydrophobicContact CB-CD1 4.32Å; F256-I269 HydrophobicContact CB-CG1 3.79Å; F256-I269 HydrophobicContact CD1-CD1 3.89Å; F256-I269 HydrophobicContact CD1-CG1 3.93Å; F256-I269 HydrophobicContact CG-CD1 4.46Å; F256-I269 HydrophobicContact CG-CG1 4.33Å; F256-I269 PolarHBondContact N-O 3.02Å; F256-I269 PolarHBondContact O-N 2.85Å; F256-V271 HydrophobicContact CB-CG2 3.62Å
257Q93.9Very high92.8Very high125 Ų12576.5 Ų76.558%0.58443%0.426SS*.EExtended strand (participates in β ladder)trans-116.4123.8176.4-176.4179.811.800108.8F267 H268Q257-F267 WeakPolarHBondContact CA-O 3.34Å; Q257-H268 PolarHBondContact NE2-NE2 3.45Å
258G91.7Very high92.7Very high10 Ų1077 Ų7710%0.10342%0.418CS..EExtended strand (participates in β ladder)trans-118.3168.3172.400000111.4P266 F267G258-P266 CarbonylContact O-C 3.51Å; G258-P266 VanDerWaalsContact O-CA 3.27Å; G258-P266 WeakPolarHBondContact O-CA 3.48Å; G258-F267 PolarHBondContact N-O 2.9Å; G258-F267 PolarHBondContact O-N 2.89Å
259I93.3Very high92.7Very high107 Ų10773.8 Ų73.855%0.54940%0.401SS..EExtended strand (participates in β ladder)trans-115.5126.5172.6-59.6174.7000107.2Q219 A261Q219-I259 PolarHBondContact NE2-O 3.49Å; Q219-I259 PolarHBondContact OE1-O 2.87Å; I259-A261 PolarHBondContact O-N 3.07Å
260N90.8Very high92.9Very high25 Ų2574 Ų7413%0.13440%0.398CS..  trans-64.6123.4176-178.8-51.5000109.4P216 Q219 V262 T263 K264 T265P216-N260 HydrophobicContact CG-CB 4.15Å; P216-N260 VanDerWaalsContact CG-ND2 3.3Å; P216-N260 WeakPolarHBondContact CG-ND2 3.4Å; Q219-N260 VanDerWaalsContact OE1-CA 3.29Å; N260-V262 PolarHBondContact O-N 2.68Å; N260-V262 WeakPolarHBondContact OD1-CA 3.44Å; N260-V262 WeakPolarHBondContact OD1-CB 3.25Å; N260-V262 PolarHBondContact OD1-N 3.22Å; N260-T263 VanDerWaalsContact CB-OG1 3.23Å; N260-T263 WeakPolarHBondContact CB-OG1 3.5Å; N260-T263 PolarHBondContact OD1-N 3.4Å; N260-T263 PolarHBondContact OD1-OG1 3Å; N260-K264 VanDerWaalsContact O-CA 3.23Å; N260-K264 WeakPolarHBondContact O-CA 3.39Å; N260-K264 PolarHBondContact O-N 3.26Å; N260-T265 WeakPolarHBondContact CB-O 3.33Å; N260-T265 PolarHBondContact N-O 3.37Å
261A88Confident93.2Very high46 Ų4670.4 Ų70.438%0.3836%0.362SS..THydrogen-bonded Turntrans-61.5-32.1-175.600000112.9Q219 I259 K264Q219-A261 HydrophobicContact CG-CB 4.41Å; I259-A261 PolarHBondContact O-N 3.07Å; A261-K264 VanDerWaalsContact O-CE 3.28Å; A261-K264 WeakPolarHBondContact O-CE 3.23Å; A261-K264 PolarHBondContact O-NZ 2.93Å
262V88.4Confident93.3Very high111 Ų11164.7 Ų64.767%0.67334%0.338SS*.THydrogen-bonded Turntrans-87.6-58-177.5-176.40000111.3N260 K264N260-V262 PolarHBondContact O-N 2.68Å; N260-V262 WeakPolarHBondContact OD1-CA 3.44Å; N260-V262 WeakPolarHBondContact OD1-CB 3.25Å; N260-V262 PolarHBondContact OD1-N 3.22Å; V262-K264 VanDerWaalsContact C-N 3.33Å; V262-K264 PolarHBondContact O-N 2.79Å
263T89.9Confident93.5Very high79 Ų7965.4 Ų65.449%0.48534%0.342SS..THydrogen-bonded Turntrans-81.2-14.1-173.464.70000113.3N260 T265N260-T263 VanDerWaalsContact CB-OG1 3.23Å; N260-T263 WeakPolarHBondContact CB-OG1 3.5Å; N260-T263 PolarHBondContact OD1-N 3.4Å; N260-T263 PolarHBondContact OD1-OG1 3Å; T263-T265 PolarHBondContact O-N 3.46Å; T263-T265 VanDerWaalsContact O-N 3.13Å; T263-T265 PolarHBondContact OG1-N 3.03Å; T263-T265 PolarHBondContact OG1-OG1 2.65Å
264K92.3Very high93.5Very high154 Ų15462.5 Ų62.567%0.6733%0.326SS*.  trans58.417.2-174.1-53.4-55.7-171.4-166.70114.3N260 A261 V262N260-K264 VanDerWaalsContact O-CA 3.23Å; N260-K264 WeakPolarHBondContact O-CA 3.39Å; N260-K264 PolarHBondContact O-N 3.26Å; A261-K264 VanDerWaalsContact O-CE 3.28Å; A261-K264 WeakPolarHBondContact O-CE 3.23Å; A261-K264 PolarHBondContact O-NZ 2.93Å; V262-K264 VanDerWaalsContact C-N 3.33Å; V262-K264 PolarHBondContact O-N 2.79Å
265T92.8Very high93.6Very high76 Ų7659.9 Ų59.947%0.46631%0.314SS..  trans-94147.6175.257.10000110.9N260 T263N260-T265 WeakPolarHBondContact CB-O 3.33Å; N260-T265 PolarHBondContact N-O 3.37Å; T263-T265 PolarHBondContact O-N 3.46Å; T263-T265 VanDerWaalsContact O-N 3.13Å; T263-T265 PolarHBondContact OG1-N 3.03Å; T263-T265 PolarHBondContact OG1-OG1 2.65Å
266P93.5Very high93.8Very high74 Ų7453.5 Ų53.548%0.48129%0.285SS..EExtended strand (participates in β ladder)trans-70144.3174.829.6-33.9000111.1G258G258-P266 CarbonylContact O-C 3.51Å; G258-P266 VanDerWaalsContact O-CA 3.27Å; G258-P266 WeakPolarHBondContact O-CA 3.48Å
267F93.3Very high93.9Very high21 Ų2153.8 Ų53.89%0.09229%0.287CS..EExtended strand (participates in β ladder)trans-121.1150165.370.4-91.1000109.3P216 T223 F256 Q257 G258 I269P216-F267 HydrophobicContact CG-CD1 4.15Å; P216-F267 HydrophobicContact CG-CE1 4.12Å; T223-F267 HydrophobicContact CG2-CE2 4.4Å; F256-F267 HydrophobicContact CD1-CE2 4.5Å; F256-F267 HydrophobicContact CE1-CE2 4.31Å; F256-F267 HydrophobicContact CE1-CZ 4.36Å; Q257-F267 WeakPolarHBondContact CA-O 3.34Å; G258-F267 PolarHBondContact N-O 2.9Å; G258-F267 PolarHBondContact O-N 2.89Å; F267-I269 HydrophobicContact CD2-CG2 4.3Å
268H93.8Very high94Very high105 Ų10547.9 Ų47.949%0.48626%0.259SS..EExtended strand (participates in β ladder)trans-127140.4-178.9-55.183.9000108.6F256 Q257F256-H268 WeakPolarHBondContact O-CA 3.4Å; Q257-H268 PolarHBondContact NE2-NE2 3.45Å
269I95.1Very high94.3Very high2 Ų247.4 Ų47.41%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-136.5148.4174.660.2-178.8000110L208 E212 I215 T223 I227 Q255 F256 F267L208-I269 HydrophobicContact CD2-CD1 4.45Å; E212-I269 HydrophobicContact CB-CB 4.4Å; E212-I269 HydrophobicContact CB-CG2 4.16Å; E212-I269 HydrophobicContact CG-CB 4.16Å; E212-I269 HydrophobicContact CG-CG2 4.47Å; I215-I269 HydrophobicContact CD1-CD1 3.85Å; I215-I269 HydrophobicContact CD1-CG2 4.09Å; I215-I269 HydrophobicContact CG1-CD1 4.22Å; I215-I269 HydrophobicContact CG1-CG2 3.6Å; T223-I269 HydrophobicContact CG2-CD1 3.42Å; T223-I269 VanDerWaalsContact CG2-CD1 3.42Å; I227-I269 HydrophobicContact CD1-CD1 3.65Å; Q255-I269 WeakPolarHBondContact CA-O 3.44Å; F256-I269 HydrophobicContact CB-CD1 4.32Å; F256-I269 HydrophobicContact CB-CG1 3.79Å; F256-I269 HydrophobicContact CD1-CD1 3.89Å; F256-I269 HydrophobicContact CD1-CG1 3.93Å; F256-I269 HydrophobicContact CG-CD1 4.46Å; F256-I269 HydrophobicContact CG-CG1 4.33Å; F256-I269 PolarHBondContact N-O 3.02Å; F256-I269 PolarHBondContact O-N 2.85Å; F267-I269 HydrophobicContact CD2-CG2 4.3Å
270D95.7Very high94.5Very high64 Ų6442.3 Ų42.334%0.34223%0.228SC..EExtended strand (participates in β ladder)trans-82.3139.1171.8-71.5-25.4000109.3R211 E212 I253 K254 Q255R211-D270 PolarHBondContact NH2-O 2.91Å; E212-D270 PolarHBondContact OE2-N 3.3Å; I253-D270 HydrophobicContact CG2-CB 3.88Å; K254-D270 CarbonylContact O-C 3.6Å; Q255-D270 WeakPolarHBondContact CG-OD1 3.28Å; Q255-D270 PolarHBondContact NE2-OD1 2.89Å; Q255-D270 VanDerWaalsContact NE2-OD1 3.14Å
271V96.8Very high94.8Very high0 Ų041.1 Ų41.10%022%0.222CC..EExtended strand (participates in β ladder)trans-117109.2-177.8-175.50000108.9I227 Y231 K254 F256 E274 R275I227-V271 HydrophobicContact CD1-CG2 3.81Å; I227-V271 HydrophobicContact CG1-CG1 4.42Å; I227-V271 HydrophobicContact CG1-CG2 4.01Å; I227-V271 HydrophobicContact CG2-CG1 3.77Å; Y231-V271 HydrophobicContact CG-CG1 4.18Å; K254-V271 HydrophobicContact CB-CB 4.32Å; K254-V271 PolarHBondContact N-O 3.35Å; K254-V271 PolarHBondContact O-N 3.2Å; F256-V271 HydrophobicContact CB-CG2 3.62Å; V271-E274 WeakPolarHBondContact CA-OE1 3.31Å; V271-E274 HydrophobicContact CG1-CG 4.39Å; V271-R275 HydrophobicContact CG1-CG 3.65Å
272G96.3Very high95.3Very high5 Ų538.9 Ų38.95%0.05220%0.204CC..  trans-122.4-117.8-165.600000113.5Y245 E274 R275Y245-G272 WeakPolarHBondContact CE1-O 3.34Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 VanDerWaalsContact N-CD 3.29Å; G272-E274 PolarHBondContact N-OE1 2.62Å; G272-E274 PolarHBondContact N-OE2 2.83Å; G272-E274 PolarHBondContact O-N 3.39Å; G272-R275 VanDerWaalsContact O-CB 3.3Å; G272-R275 WeakPolarHBondContact O-CB 3.13Å; G272-R275 WeakPolarHBondContact O-CD 3.44Å; G272-R275 WeakPolarHBondContact O-CG 3.41Å; G272-R275 PolarHBondContact O-N 2.84Å
273Y96.8Very high95.7Very high81 Ų8134 Ų3432%0.31817%0.173SC..THydrogen-bonded Turntrans-64.9-28.7-171.1-53.2-48.5000114.3F242 Y245 D246 R275 F276 L277F242-Y273 AromaticContact CD1-CD1 3.73Å; F242-Y273 HydrophobicContact CD1-CD1 3.73Å; F242-Y273 AromaticContact CD1-CE1 3.74Å; F242-Y273 HydrophobicContact CD1-CE1 3.74Å; F242-Y273 HydrophobicContact CD1-CG 4.13Å; F242-Y273 AromaticContact CE1-CD1 3.77Å; F242-Y273 HydrophobicContact CE1-CD1 3.77Å; F242-Y273 AromaticContact CE1-CD2 3.97Å; F242-Y273 HydrophobicContact CE1-CD2 3.97Å; F242-Y273 HydrophobicContact CE1-CE1 4.12Å; F242-Y273 HydrophobicContact CE1-CE2 4.33Å; F242-Y273 AromaticContact CE1-CG 3.68Å; F242-Y273 HydrophobicContact CE1-CG 3.68Å; Y245-Y273 HydrophobicContact CD1-CD1 4.06Å; Y245-Y273 HydrophobicContact CD1-CE1 4.28Å; Y245-Y273 HydrophobicContact CG-CD1 4.08Å; Y245-Y273 HydrophobicContact CG-CE1 4.1Å; D246-Y273 PolarHBondContact OD1-OH 2.78Å; Y273-R275 PolarHBondContact O-N 2.86Å; Y273-F276 AromaticContact CD1-CE1 3.97Å; Y273-F276 HydrophobicContact CD1-CE1 3.97Å; Y273-F276 AromaticContact CD1-CZ 3.92Å; Y273-F276 HydrophobicContact CD1-CZ 3.92Å; Y273-F276 HydrophobicContact CG-CZ 4.36Å; Y273-F276 WeakPolarHBondContact O-CD1 3.33Å; Y273-F276 PolarHBondContact O-N 2.94Å; Y273-L277 WeakPolarHBondContact O-CB 3.09Å; Y273-L277 WeakPolarHBondContact O-CG 3.3Å; Y273-L277 PolarHBondContact O-N 3.18Å
274E96.4Very high96Very high1 Ų132.9 Ų32.91%0.00516%0.162CC..Hα-helixtrans-55.2-21.4175.665.5-84.8-161.400113I204 L207 L208 R211 I227 C232 V271 G272 F276 G278I204-E274 HydrophobicContact CG1-CB 4.35Å; I204-E274 HydrophobicContact CG2-CB 4.23Å; I204-E274 HydrophobicContact CG2-CG 4.25Å; L207-E274 HydrophobicContact CB-CB 4.28Å; L207-E274 HydrophobicContact CD1-CB 3.77Å; L208-E274 HydrophobicContact CD2-CG 4.4Å; L208-E274 WeakPolarHBondContact CD2-OE1 3.35Å; R211-E274 IonicContact CZ-OE1 3.22Å; R211-E274 IonicContact CZ-OE2 3.97Å; R211-E274 IonicContact NH1-OE1 3.34Å; R211-E274 IonicContact NH1-OE2 2.95Å; R211-E274 PolarHBondContact NH1-OE2 3.32Å; R211-E274 IonicContact NH2-OE1 2.87Å; R211-E274 PolarHBondContact NH2-OE1 3.16Å; R211-E274 IonicContact NH2-OE2 3.46Å; R211-E274 PolarHBondContact NH2-OE2 2.99Å; I227-E274 HydrophobicContact CG2-CG 4.06Å; C232-E274 PolarHBondContact SG-O 3.07Å; C232-E274 VanDerWaalsContact SG-O 3.38Å; V271-E274 WeakPolarHBondContact CA-OE1 3.31Å; V271-E274 HydrophobicContact CG1-CG 4.39Å; G272-E274 VanDerWaalsContact C-N 3.3Å; G272-E274 VanDerWaalsContact N-CD 3.29Å; G272-E274 PolarHBondContact N-OE1 2.62Å; G272-E274 PolarHBondContact N-OE2 2.83Å; G272-E274 PolarHBondContact O-N 3.39Å; E274-F276 VanDerWaalsContact C-N 3.34Å; E274-F276 PolarHBondContact O-N 2.85Å; E274-G278 PolarHBondContact O-N 3.41Å
275R97.6Very high96.2Very high24 Ų2425.6 Ų25.69%0.09113%0.131CC..Hα-helixtrans-59.2-42.6175.3-64.9179.665.7-153-6.4112.5Y231 C232 Y233 Y245 W252 V271 G272 Y273Y231-R275 PolarHBondContact O-NE 3.34Å; Y231-R275 PolarHBondContact O-NH2 2.79Å; C232-R275 CarbonylContact C-O 3.51Å; C232-R275 WeakPolarHBondContact CA-O 3.45Å; C232-R275 VanDerWaalsContact CB-O 3.26Å; C232-R275 WeakPolarHBondContact CB-O 3.2Å; Y233-R275 HydrophobicContact CD1-CB 4.27Å; Y233-R275 HydrophobicContact CE1-CB 3.88Å; Y233-R275 PolarHBondContact N-O 2.81Å; Y245-R275 PolarHBondContact OH-NH1 2.93Å; W252-R275 PolarHBondContact O-NH1 2.86Å; V271-R275 HydrophobicContact CG1-CG 3.65Å; G272-R275 VanDerWaalsContact O-CB 3.3Å; G272-R275 WeakPolarHBondContact O-CB 3.13Å; G272-R275 WeakPolarHBondContact O-CD 3.44Å; G272-R275 WeakPolarHBondContact O-CG 3.41Å; G272-R275 PolarHBondContact O-N 2.84Å; Y273-R275 PolarHBondContact O-N 2.86Å
276F97.4Very high96.3Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-103.2-30.6177.361.4-93.5000112.6Y233 C235 I238 E241 F242 Y245 Y273 E274 E280Y233-F276 HydrophobicContact CE2-CB 4.35Å; Y233-F276 WeakPolarHBondContact O-CA 3.39Å; C235-F276 HydrophobicContact CB-CB 3.96Å; I238-F276 HydrophobicContact CG2-CE2 4.3Å; E241-F276 HydrophobicContact CB-CD1 4.38Å; E241-F276 HydrophobicContact CB-CD2 4.28Å; E241-F276 HydrophobicContact CB-CE1 4.35Å; E241-F276 HydrophobicContact CB-CE2 4.27Å; E241-F276 HydrophobicContact CB-CG 4.34Å; E241-F276 HydrophobicContact CB-CZ 4.3Å; E241-F276 HydrophobicContact CG-CB 4.29Å; E241-F276 HydrophobicContact CG-CD1 3.62Å; E241-F276 HydrophobicContact CG-CD2 4.23Å; E241-F276 HydrophobicContact CG-CE1 3.91Å; E241-F276 HydrophobicContact CG-CG 3.79Å; E241-F276 HydrophobicContact CG-CZ 4.35Å; F242-F276 HydrophobicContact CD1-CE2 4.45Å; F242-F276 AromaticContact CD1-CZ 3.84Å; F242-F276 HydrophobicContact CD1-CZ 3.84Å; F242-F276 HydrophobicContact CD2-CE2 4.16Å; F242-F276 HydrophobicContact CD2-CZ 4.27Å; F242-F276 HydrophobicContact CE1-CE2 4.24Å; F242-F276 AromaticContact CE1-CZ 3.84Å; F242-F276 HydrophobicContact CE1-CZ 3.84Å; F242-F276 AromaticContact CE2-CE2 3.95Å; F242-F276 HydrophobicContact CE2-CE2 3.95Å; F242-F276 HydrophobicContact CE2-CZ 4.29Å; F242-F276 HydrophobicContact CG-CE2 4.41Å; F242-F276 HydrophobicContact CG-CZ 4.06Å; F242-F276 AromaticContact CZ-CE2 3.99Å; F242-F276 HydrophobicContact CZ-CE2 3.99Å; F242-F276 HydrophobicContact CZ-CZ 4.08Å; Y245-F276 HydrophobicContact CD2-CD1 4.44Å; Y245-F276 AromaticContact CD2-CE1 3.84Å; Y245-F276 HydrophobicContact CD2-CE1 3.84Å; Y245-F276 HydrophobicContact CE1-CE1 4.48Å; Y245-F276 AromaticContact CE2-CD1 3.78Å; Y245-F276 HydrophobicContact CE2-CD1 3.78Å; Y245-F276 AromaticContact CE2-CE1 3.62Å; Y245-F276 HydrophobicContact CE2-CE1 3.62Å; Y245-F276 HydrophobicContact CG-CE1 4.35Å; Y245-F276 AromaticContact CZ-CD1 3.99Å; Y245-F276 AromaticContact CZ-CE1 3.98Å; Y273-F276 AromaticContact CD1-CE1 3.97Å; Y273-F276 HydrophobicContact CD1-CE1 3.97Å; Y273-F276 AromaticContact CD1-CZ 3.92Å; Y273-F276 HydrophobicContact CD1-CZ 3.92Å; Y273-F276 HydrophobicContact CG-CZ 4.36Å; Y273-F276 WeakPolarHBondContact O-CD1 3.33Å; Y273-F276 PolarHBondContact O-N 2.94Å; E274-F276 VanDerWaalsContact C-N 3.34Å; E274-F276 PolarHBondContact O-N 2.85Å; F276-E280 WeakPolarHBondContact O-CB 3.33Å; F276-E280 PolarHBondContact O-N 2.9Å
277L97.4Very high96.2Very high20 Ų2026.3 Ų26.311%0.10512%0.121CC..Hα-helixtrans-66.6-38.3178.2-69.6176.6000112.7F203 L207 I238 F242 Y273 E280F203-L277 HydrophobicContact CE1-CB 4.14Å; F203-L277 WeakPolarHBondContact CE1-O 3.4Å; L207-L277 HydrophobicContact CD1-CB 4.04Å; L207-L277 HydrophobicContact CD1-CD1 4.18Å; I238-L277 HydrophobicContact CG2-CD2 4.47Å; F242-L277 HydrophobicContact CE1-CD1 4.47Å; F242-L277 HydrophobicContact CE2-CD2 4.22Å; F242-L277 HydrophobicContact CZ-CD1 3.98Å; F242-L277 HydrophobicContact CZ-CD2 3.93Å; F242-L277 HydrophobicContact CZ-CG 4.28Å; Y273-L277 WeakPolarHBondContact O-CB 3.09Å; Y273-L277 WeakPolarHBondContact O-CG 3.3Å; Y273-L277 PolarHBondContact O-N 3.18Å; L277-E280 WeakPolarHBondContact O-CB 3.34Å; L277-E280 PolarHBondContact O-N 3.47Å; L277-E280 VanDerWaalsContact O-N 3.16Å
278G97.2Very high96.2Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-52.8-59.9-179.500000112.1E274 E280 I281E274-G278 PolarHBondContact O-N 3.41Å; G278-E280 VanDerWaalsContact C-N 3.3Å; G278-E280 PolarHBondContact O-N 2.83Å; G278-I281 WeakPolarHBondContact O-CG1 3.23Å
279P97.6Very high96.1Very high0 Ų023.8 Ų23.80%012%0.118CC..Hα-helixtrans-72.8-16.2177.9-2337.4000115C232 I234 I281 F282 F328C232-P279 HydrophobicContact CB-CG 3.71Å; I234-P279 HydrophobicContact CD1-CB 3.35Å; I234-P279 WeakPolarHBondContact CD1-O 3.46Å; I234-P279 HydrophobicContact CG1-CB 4.01Å; P279-I281 PolarHBondContact O-N 2.97Å; P279-F282 PolarHBondContact O-N 3.28Å; P279-F328 HydrophobicContact CB-CD1 4.16Å; P279-F328 HydrophobicContact CB-CD2 3.95Å; P279-F328 HydrophobicContact CB-CE1 4.37Å; P279-F328 HydrophobicContact CB-CE2 4.17Å; P279-F328 HydrophobicContact CB-CG 3.95Å; P279-F328 HydrophobicContact CB-CZ 4.37Å; P279-F328 HydrophobicContact CG-CD1 3.55Å; P279-F328 HydrophobicContact CG-CD2 4.18Å; P279-F328 HydrophobicContact CG-CE1 3.57Å; P279-F328 HydrophobicContact CG-CE2 4.2Å; P279-F328 HydrophobicContact CG-CG 3.87Å; P279-F328 HydrophobicContact CG-CZ 3.9Å
280E97.7Very high95.8Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-65.4-21.2-179.1-167.863.4-150.800112.5I238 F276 L277 G278 F282 F283 H284 F287 R334I238-E280 HydrophobicContact CD1-CG 3.47Å; I238-E280 VanDerWaalsContact CD1-CG 3.47Å; I238-E280 HydrophobicContact CG1-CG 3.83Å; F276-E280 WeakPolarHBondContact O-CB 3.33Å; F276-E280 PolarHBondContact O-N 2.9Å; L277-E280 WeakPolarHBondContact O-CB 3.34Å; L277-E280 PolarHBondContact O-N 3.47Å; L277-E280 VanDerWaalsContact O-N 3.16Å; G278-E280 VanDerWaalsContact C-N 3.3Å; G278-E280 PolarHBondContact O-N 2.83Å; E280-F282 PolarHBondContact O-N 3.3Å; E280-F283 CarbonylContact O-C 3.54Å; E280-F283 WeakPolarHBondContact O-CA 3.48Å; E280-F283 PolarHBondContact O-N 3.11Å; E280-H284 PolarHBondContact O-N 3.33Å; E280-H284 IonicContact OE1-CE1 2.78Å; E280-H284 PolarHBondContact OE1-CE1 3.4Å; E280-H284 IonicContact OE1-ND1 3.73Å; E280-H284 PolarHBondContact OE1-ND1 2.92Å; E280-F287 HydrophobicContact CG-CE2 4.14Å; E280-R334 IonicContact OE1-CZ 3.82Å; E280-R334 IonicContact OE1-NH1 3.63Å; E280-R334 PolarHBondContact OE1-NH1 2.9Å; E280-R334 IonicContact OE1-NH2 3.5Å; E280-R334 PolarHBondContact OE1-NH2 3.02Å; E280-R334 IonicContact OE2-CZ 3.56Å; E280-R334 IonicContact OE2-NH1 3.56Å; E280-R334 PolarHBondContact OE2-NH1 3.42Å
281I97.3Very high95.7Very high0 Ų033.3 Ų33.30%018%0.175CC..THydrogen-bonded Turntrans-62.7-13.617774.7178.6000113.5I195 D199 I200 F203 G278 P279 F283 P285 F287 A288I195-I281 HydrophobicContact CD1-CD1 4.46Å; I195-I281 HydrophobicContact CG2-CD1 3.94Å; I195-I281 HydrophobicContact CG2-CG1 3.72Å; D199-I281 HydrophobicContact CB-CD1 4.43Å; I200-I281 HydrophobicContact CB-CD1 4.26Å; I200-I281 HydrophobicContact CG1-CD1 3.6Å; I200-I281 HydrophobicContact CG1-CG1 3.95Å; F203-I281 HydrophobicContact CB-CD1 4.44Å; F203-I281 HydrophobicContact CD1-CG2 3.53Å; F203-I281 HydrophobicContact CE1-CG2 3.66Å; F203-I281 HydrophobicContact CG-CG2 4.17Å; F203-I281 HydrophobicContact CZ-CG2 4.38Å; G278-I281 WeakPolarHBondContact O-CG1 3.23Å; P279-I281 PolarHBondContact O-N 2.97Å; I281-F283 VanDerWaalsContact C-N 3.32Å; I281-P285 WeakPolarHBondContact O-CA 3.11Å; I281-P285 WeakPolarHBondContact O-CG 3.38Å; I281-F287 HydrophobicContact CG2-CB 4.11Å; I281-A288 HydrophobicContact CB-CB 4.43Å; I281-A288 HydrophobicContact CD1-CB 4.19Å; I281-A288 HydrophobicContact CG2-CB 4.06Å
282F97.5Very high95.6Very high0 Ų035 Ų350%018%0.183CC..THydrogen-bonded Turntrans-68.7-32.9167.2-81.2-65.2000112.9S170 T175 I195 I200 P279 E280 I296 F328 F331S170-F282 VanDerWaalsContact OG-CZ 3.29Å; S170-F282 WeakPolarHBondContact OG-CZ 3.19Å; T175-F282 HydrophobicContact CG2-CE1 4.39Å; I195-F282 HydrophobicContact CG2-CD1 3.95Å; I195-F282 HydrophobicContact CG2-CE1 4.01Å; I195-F282 HydrophobicContact CG2-CG 4.44Å; I200-F282 HydrophobicContact CD1-CD2 4.09Å; I200-F282 HydrophobicContact CD1-CE2 3.36Å; I200-F282 HydrophobicContact CD1-CZ 3.84Å; P279-F282 PolarHBondContact O-N 3.28Å; E280-F282 PolarHBondContact O-N 3.3Å; F282-I296 HydrophobicContact CB-CG2 4.17Å; F282-I296 HydrophobicContact CD1-CD1 4.11Å; F282-I296 WeakPolarHBondContact O-CB 3.14Å; F282-I296 WeakPolarHBondContact O-CG2 3.43Å; F282-I296 PolarHBondContact O-N 2.97Å; F282-F328 HydrophobicContact CE2-CD2 4.38Å; F282-F328 HydrophobicContact CE2-CE2 4.14Å; F282-F331 HydrophobicContact CB-CE2 4.3Å; F282-F331 HydrophobicContact CD1-CE2 4.47Å; F282-F331 HydrophobicContact CD2-CD2 4.39Å; F282-F331 AromaticContact CD2-CE2 3.62Å; F282-F331 HydrophobicContact CD2-CE2 3.62Å; F282-F331 AromaticContact CE2-CE2 3.92Å; F282-F331 HydrophobicContact CE2-CE2 3.92Å; F282-F331 AromaticContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CE2 3.9Å
283F97.2Very high95.5Very high7 Ų741.3 Ų41.33%0.03121%0.213CC..THydrogen-bonded Turntrans-100-26.3-175.6-62.4-84.5000112.1I234 E280 I281 S295 I296 F331 R334 L335I234-F283 HydrophobicContact CD1-CD2 4.04Å; I234-F283 HydrophobicContact CD1-CE2 3.67Å; I234-F283 HydrophobicContact CG1-CE2 4.43Å; I234-F283 HydrophobicContact CG2-CE2 4.32Å; E280-F283 CarbonylContact O-C 3.54Å; E280-F283 WeakPolarHBondContact O-CA 3.48Å; E280-F283 PolarHBondContact O-N 3.11Å; I281-F283 VanDerWaalsContact C-N 3.32Å; F283-S295 WeakPolarHBondContact O-CB 3.31Å; F283-I296 HydrophobicContact CD1-CG2 3.9Å; F283-I296 HydrophobicContact CE1-CG2 3.66Å; F283-I296 HydrophobicContact CE2-CG2 4.49Å; F283-I296 HydrophobicContact CG-CG2 4.43Å; F283-I296 HydrophobicContact CZ-CG2 3.98Å; F283-F331 HydrophobicContact CE2-CD2 4.39Å; F283-F331 HydrophobicContact CE2-CE2 4.36Å; F283-R334 HydrophobicContact CD1-CG 3.92Å; F283-R334 HydrophobicContact CD2-CG 4.17Å; F283-R334 HydrophobicContact CE1-CB 4.34Å; F283-R334 HydrophobicContact CE1-CG 3.45Å; F283-R334 VanDerWaalsContact CE1-CG 3.45Å; F283-R334 HydrophobicContact CE2-CB 4.44Å; F283-R334 HydrophobicContact CE2-CG 3.74Å; F283-R334 HydrophobicContact CG-CG 4.26Å; F283-R334 HydrophobicContact CZ-CB 3.94Å; F283-R334 HydrophobicContact CZ-CG 3.35Å; F283-L335 HydrophobicContact CE1-CD1 4.36Å; F283-L335 HydrophobicContact CZ-CB 4.43Å
284H96.8Very high95.4Very high57 Ų5740.4 Ų40.426%0.26421%0.211SC..  trans-132.173173.6-59.993.8000110E280 E286 F287E280-H284 PolarHBondContact O-N 3.33Å; E280-H284 IonicContact OE1-CE1 2.78Å; E280-H284 PolarHBondContact OE1-CE1 3.4Å; E280-H284 IonicContact OE1-ND1 3.73Å; E280-H284 PolarHBondContact OE1-ND1 2.92Å; H284-E286 WeakPolarHBondContact CA-OE2 3.39Å; H284-E286 IonicContact CD2-OE1 2.78Å; H284-E286 IonicContact CG-OE1 3.51Å; H284-E286 PolarHBondContact O-N 3.05Å; H284-E286 VanDerWaalsContact O-N 3.17Å; H284-F287 HydrophobicContact CB-CD1 4.35Å; H284-F287 HydrophobicContact CB-CD2 4.06Å; H284-F287 HydrophobicContact CB-CE1 4.1Å; H284-F287 HydrophobicContact CB-CE2 3.81Å; H284-F287 HydrophobicContact CB-CG 4.33Å; H284-F287 HydrophobicContact CB-CZ 3.83Å; H284-F287 PolarHBondContact O-N 3.32Å
285P95.8Very high95.5Very high0 Ų041.2 Ų41.20%022%0.217CC..G310 helixtrans-61.2-22.8-176.3-21.433.7000114.4I195 I281 F287 A288 N289 F292 Q294I195-P285 HydrophobicContact CD1-CB 4.26Å; I195-P285 HydrophobicContact CG1-CB 4.08Å; I281-P285 WeakPolarHBondContact O-CA 3.11Å; I281-P285 WeakPolarHBondContact O-CG 3.38Å; P285-F287 PolarHBondContact O-N 3.39Å; P285-A288 PolarHBondContact O-N 3.07Å; P285-N289 PolarHBondContact O-N 3.09Å; P285-F292 HydrophobicContact CB-CD1 3.65Å; P285-F292 HydrophobicContact CB-CE1 4.26Å; P285-F292 WeakPolarHBondContact CB-O 3.36Å; P285-F292 HydrophobicContact CG-CD1 3.83Å; P285-F292 HydrophobicContact CG-CE1 3.92Å; P285-Q294 WeakPolarHBondContact CG-O 3.41Å
286E94.5Very high95.5Very high80 Ų8040.1 Ų40.137%0.37421%0.213SC..G310 helixtrans-58.3-15.5177.565.2-90.6-152.300113.9H284 A288 M293H284-E286 WeakPolarHBondContact CA-OE2 3.39Å; H284-E286 IonicContact CD2-OE1 2.78Å; H284-E286 IonicContact CG-OE1 3.51Å; H284-E286 PolarHBondContact O-N 3.05Å; H284-E286 VanDerWaalsContact O-N 3.17Å; E286-A288 VanDerWaalsContact C-N 3.34Å; E286-M293 HydrophobicContact CB-CE 4.42Å; E286-M293 HydrophobicContact CB-CG 4.39Å
287F93.1Very high95.5Very high86 Ų8640.1 Ų40.138%0.37721%0.213SC..G310 helixtrans-71.1-27.6175.2-68-7.2000113.7F203 I238 E280 I281 H284 P285F203-F287 HydrophobicContact CE2-CB 4.49Å; F203-F287 HydrophobicContact CZ-CB 4.12Å; I238-F287 HydrophobicContact CD1-CE2 4.06Å; I238-F287 HydrophobicContact CD1-CZ 4.16Å; E280-F287 HydrophobicContact CG-CE2 4.14Å; I281-F287 HydrophobicContact CG2-CB 4.11Å; H284-F287 HydrophobicContact CB-CD1 4.35Å; H284-F287 HydrophobicContact CB-CD2 4.06Å; H284-F287 HydrophobicContact CB-CE1 4.1Å; H284-F287 HydrophobicContact CB-CE2 3.81Å; H284-F287 HydrophobicContact CB-CG 4.33Å; H284-F287 HydrophobicContact CB-CZ 3.83Å; H284-F287 PolarHBondContact O-N 3.32Å; P285-F287 PolarHBondContact O-N 3.39Å
288A92Very high95.4Very high44 Ų4442.1 Ų42.136%0.36422%0.224SC..THydrogen-bonded Turntrans-127.3-24.4-174.500000113.2F203 I281 P285 E286F203-A288 HydrophobicContact CB-CB 4.27Å; F203-A288 HydrophobicContact CD2-CB 3.98Å; F203-A288 HydrophobicContact CG-CB 4.14Å; I281-A288 HydrophobicContact CB-CB 4.43Å; I281-A288 HydrophobicContact CD1-CB 4.19Å; I281-A288 HydrophobicContact CG2-CB 4.06Å; P285-A288 PolarHBondContact O-N 3.07Å; E286-A288 VanDerWaalsContact C-N 3.34Å
289N91.5Very high95.5Very high28 Ų2842.3 Ų42.315%0.1523%0.225CC..  trans-122.9113.1-177.5-166.3-35.5000110.4P194 I195 P285 D291 F292P194-N289 PolarHBondContact O-ND2 2.86Å; I195-N289 HydrophobicContact CD1-CB 4Å; P285-N289 PolarHBondContact O-N 3.09Å; N289-D291 VanDerWaalsContact C-N 3.28Å; N289-D291 PolarHBondContact O-N 3.34Å; N289-D291 PolarHBondContact OD1-N 2.91Å; N289-F292 HydrophobicContact CB-CB 4.4Å; N289-F292 VanDerWaalsContact O-O 3.1Å; N289-F292 PolarHBondContact OD1-N 2.88Å
290P90.2Very high95.5Very high112 Ų11242.3 Ų42.373%0.72723%0.225SC*.THydrogen-bonded Turntrans-72-22.3-179.429.8-34.7000113.2
291D93.2Very high95.5Very high155 Ų15543 Ų4383%0.82923%0.229SC*.THydrogen-bonded Turntrans-93.3-8.4-174.1-61.3-40.4000112.8N289N289-D291 VanDerWaalsContact C-N 3.28Å; N289-D291 PolarHBondContact O-N 3.34Å; N289-D291 PolarHBondContact OD1-N 2.91Å
292F93.5Very high95.5Very high34 Ų3446.4 Ų46.415%0.14925%0.245CC..  trans-135.1121.9-176.3-168.8-95.8000110.9I193 P194 P285 N289 Q294 V299I193-F292 HydrophobicContact CG1-CZ 4.45Å; I193-F292 HydrophobicContact CG2-CD1 4.49Å; I193-F292 HydrophobicContact CG2-CE1 3.71Å; I193-F292 HydrophobicContact CG2-CZ 4.05Å; P194-F292 HydrophobicContact CG-CB 3.62Å; P194-F292 HydrophobicContact CG-CD1 4.02Å; P194-F292 HydrophobicContact CG-CD2 3.73Å; P194-F292 HydrophobicContact CG-CE2 4.41Å; P194-F292 HydrophobicContact CG-CG 3.51Å; P285-F292 HydrophobicContact CB-CD1 3.65Å; P285-F292 HydrophobicContact CB-CE1 4.26Å; P285-F292 WeakPolarHBondContact CB-O 3.36Å; P285-F292 HydrophobicContact CG-CD1 3.83Å; P285-F292 HydrophobicContact CG-CE1 3.92Å; N289-F292 HydrophobicContact CB-CB 4.4Å; N289-F292 VanDerWaalsContact O-O 3.1Å; N289-F292 PolarHBondContact OD1-N 2.88Å; F292-Q294 HydrophobicContact CE1-CB 4.28Å; F292-Q294 WeakPolarHBondContact CE1-O 3.44Å; F292-Q294 HydrophobicContact CE2-CB 4.46Å; F292-Q294 HydrophobicContact CZ-CB 3.98Å; F292-V299 HydrophobicContact CZ-CG2 3.95Å
293M94.5Very high95.6Very high139 Ų13946.4 Ų46.469%0.68525%0.245SC*.  trans-123.8-1.4-173.4-56.3-178.472.400113.8E286E286-M293 HydrophobicContact CB-CE 4.42Å; E286-M293 HydrophobicContact CB-CG 4.39Å
294Q96Very high95.6Very high61 Ų6146.1 Ų46.129%0.28524%0.243SC..  trans-87.8124.4-172-169.1-179.67.200110.9P285 F292 D298 V299 E302P285-Q294 WeakPolarHBondContact CG-O 3.41Å; F292-Q294 HydrophobicContact CE1-CB 4.28Å; F292-Q294 WeakPolarHBondContact CE1-O 3.44Å; F292-Q294 HydrophobicContact CE2-CB 4.46Å; F292-Q294 HydrophobicContact CZ-CB 3.98Å; Q294-D298 HydrophobicContact CG-CB 3.86Å; Q294-V299 HydrophobicContact CB-CG2 4.13Å; Q294-V299 HydrophobicContact CG-CG2 3.72Å; Q294-E302 PolarHBondContact NE2-OE2 3.07Å
295S97Very high95.6Very high18 Ų1846 Ų4613%0.12624%0.243CC..  trans-61.1149.8177.382.60000111.8F283 S297 D298 V299F283-S295 WeakPolarHBondContact O-CB 3.31Å; S295-S297 PolarHBondContact O-N 3.38Å; S295-S297 VanDerWaalsContact O-N 3.14Å; S295-D298 PolarHBondContact O-N 3.33Å; S295-D298 PolarHBondContact OG-N 3.05Å; S295-D298 VanDerWaalsContact OG-N 3.16Å; S295-D298 PolarHBondContact OG-OD2 3.37Å; S295-V299 WeakPolarHBondContact O-CG2 3.43Å; S295-V299 PolarHBondContact O-N 3.36Å
296I97.5Very high95.7Very high1 Ų148.8 Ų48.81%0.00526%0.263CS..Hα-helixtrans-56.1-32.6175.2-171.9167.2000112.6I168 T175 I193 F282 F283 I300 F331 L335I168-I296 HydrophobicContact CG2-CD1 3.85Å; T175-I296 HydrophobicContact CG2-CD1 4.32Å; I193-I296 HydrophobicContact CD1-CB 4.11Å; I193-I296 HydrophobicContact CD1-CD1 4.17Å; I193-I296 HydrophobicContact CD1-CG1 3.65Å; F282-I296 HydrophobicContact CB-CG2 4.17Å; F282-I296 HydrophobicContact CD1-CD1 4.11Å; F282-I296 WeakPolarHBondContact O-CB 3.14Å; F282-I296 WeakPolarHBondContact O-CG2 3.43Å; F282-I296 PolarHBondContact O-N 2.97Å; F283-I296 HydrophobicContact CD1-CG2 3.9Å; F283-I296 HydrophobicContact CE1-CG2 3.66Å; F283-I296 HydrophobicContact CE2-CG2 4.49Å; F283-I296 HydrophobicContact CG-CG2 4.43Å; F283-I296 HydrophobicContact CZ-CG2 3.98Å; I296-I300 HydrophobicContact CG1-CD1 3.98Å; I296-I300 HydrophobicContact CG1-CG1 4.48Å; I296-I300 WeakPolarHBondContact O-CB 3.49Å; I296-I300 WeakPolarHBondContact O-CD1 3.29Å; I296-I300 WeakPolarHBondContact O-CG1 3.21Å; I296-I300 PolarHBondContact O-N 2.96Å; I296-F331 HydrophobicContact CD1-CZ 3.91Å; I296-L335 HydrophobicContact CG1-CD1 4.41Å; I296-L335 HydrophobicContact CG2-CD1 3.89Å
297S97.3Very high95.9Very high1 Ų145 Ų451%0.00725%0.245CC..Hα-helixtrans-67.1-40.4177.2-63.40000111.9S295 I300 D301 L335 L339S295-S297 PolarHBondContact O-N 3.38Å; S295-S297 VanDerWaalsContact O-N 3.14Å; S297-I300 PolarHBondContact O-N 3.27Å; S297-D301 PolarHBondContact O-N 3.08Å; S297-L335 WeakPolarHBondContact OG-CD1 3.19Å; S297-L339 WeakPolarHBondContact O-CD1 3.39Å
298D96.9Very high96.1Very high62 Ų6244.1 Ų44.133%0.33225%0.248SC..Hα-helixtrans-72.4-37.4178-60.4-41.5000111.7Q294 S295 I300 D301 E302Q294-D298 HydrophobicContact CG-CB 3.86Å; S295-D298 PolarHBondContact O-N 3.33Å; S295-D298 PolarHBondContact OG-N 3.05Å; S295-D298 VanDerWaalsContact OG-N 3.16Å; S295-D298 PolarHBondContact OG-OD2 3.37Å; D298-I300 VanDerWaalsContact C-N 3.32Å; D298-I300 PolarHBondContact O-N 3.26Å; D298-D301 PolarHBondContact O-N 3.23Å; D298-E302 WeakPolarHBondContact O-CB 3.45Å; D298-E302 PolarHBondContact O-N 2.81Å
299V98Very high96.3Very high3 Ų348.4 Ų48.42%0.01826%0.263CS..Hα-helixtrans-58.8-46.4173.3175.90000110.4A177 K191 I193 F292 Q294 S295 E302 V303A177-V299 HydrophobicContact CB-CG1 4.38Å; K191-V299 HydrophobicContact CB-CG1 3.75Å; K191-V299 HydrophobicContact CG-CG1 4.42Å; I193-V299 HydrophobicContact CD1-CB 4.02Å; I193-V299 HydrophobicContact CD1-CG1 3.92Å; I193-V299 HydrophobicContact CD1-CG2 4.1Å; I193-V299 HydrophobicContact CG1-CB 4.37Å; I193-V299 HydrophobicContact CG1-CG1 3.93Å; I193-V299 HydrophobicContact CG1-CG2 4.15Å; F292-V299 HydrophobicContact CZ-CG2 3.95Å; Q294-V299 HydrophobicContact CB-CG2 4.13Å; Q294-V299 HydrophobicContact CG-CG2 3.72Å; S295-V299 WeakPolarHBondContact O-CG2 3.43Å; S295-V299 PolarHBondContact O-N 3.36Å; V299-E302 PolarHBondContact O-N 3.45Å; V299-V303 HydrophobicContact CG1-CG2 4.39Å; V299-V303 VanDerWaalsContact O-CG2 3.25Å; V299-V303 WeakPolarHBondContact O-CG2 3.25Å; V299-V303 PolarHBondContact O-N 3.45Å
300I98Very high96.5Very high0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-63.2-43.6178.9-71.6168.7000111.2I166 I168 A177 I296 S297 D298 E302 V303 I304 L335 L339I166-I300 HydrophobicContact CD1-CG2 4.13Å; I168-I300 HydrophobicContact CD1-CD1 3.34Å; I168-I300 HydrophobicContact CD1-CG1 3.47Å; I168-I300 VanDerWaalsContact CD1-CG1 3.47Å; I168-I300 HydrophobicContact CG1-CD1 3.72Å; I168-I300 HydrophobicContact CG1-CG1 4.4Å; A177-I300 HydrophobicContact CB-CG1 4.44Å; I296-I300 HydrophobicContact CG1-CD1 3.98Å; I296-I300 HydrophobicContact CG1-CG1 4.48Å; I296-I300 WeakPolarHBondContact O-CB 3.49Å; I296-I300 WeakPolarHBondContact O-CD1 3.29Å; I296-I300 WeakPolarHBondContact O-CG1 3.21Å; I296-I300 PolarHBondContact O-N 2.96Å; S297-I300 PolarHBondContact O-N 3.27Å; D298-I300 VanDerWaalsContact C-N 3.32Å; D298-I300 PolarHBondContact O-N 3.26Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.39Å; I300-V303 PolarHBondContact O-N 3.42Å; I300-I304 HydrophobicContact CG2-CD1 3.83Å; I300-I304 VanDerWaalsContact O-CG1 3.29Å; I300-I304 WeakPolarHBondContact O-CG1 3.29Å; I300-I304 PolarHBondContact O-N 2.93Å; I300-L335 HydrophobicContact CD1-CD1 3.58Å; I300-L335 HydrophobicContact CD1-CD2 3.81Å; I300-L335 HydrophobicContact CD1-CG 4.14Å; I300-L339 HydrophobicContact CB-CD1 4.48Å; I300-L339 HydrophobicContact CG2-CD1 4.11Å; I300-L339 HydrophobicContact CG2-CD2 3.7Å
301D97.9Very high96.8Very high16 Ų1649 Ų499%0.08626%0.261CS..Hα-helixtrans-59.7-46.3176.1-16971.6000111.1S297 D298 V303 I304 Q305 Y316 L339 T342 R346S297-D301 PolarHBondContact O-N 3.08Å; D298-D301 PolarHBondContact O-N 3.23Å; D301-V303 PolarHBondContact O-N 3.08Å; D301-I304 PolarHBondContact O-N 2.86Å; D301-Q305 WeakPolarHBondContact O-CB 3.45Å; D301-Q305 VanDerWaalsContact O-CG 3.25Å; D301-Q305 WeakPolarHBondContact O-CG 3.1Å; D301-Q305 PolarHBondContact O-N 2.98Å; D301-Y316 PolarHBondContact OD1-OH 3.48Å; D301-L339 HydrophobicContact CB-CD1 3.7Å; D301-T342 HydrophobicContact CB-CG2 4.45Å; D301-R346 VanDerWaalsContact CG-NH1 3.34Å; D301-R346 IonicContact OD1-CZ 3.45Å; D301-R346 IonicContact OD1-NH1 2.67Å; D301-R346 PolarHBondContact OD1-NH1 2.83Å; D301-R346 IonicContact OD1-NH2 2.7Å; D301-R346 PolarHBondContact OD1-NH2 2.82Å; D301-R346 IonicContact OD2-CZ 2.72Å; D301-R346 IonicContact OD2-NH1 2.77Å; D301-R346 PolarHBondContact OD2-NH1 3.5Å; D301-R346 IonicContact OD2-NH2 2.91Å
302E97.9Very high96.9Very high71 Ų7144.4 Ų44.433%0.33223%0.232SC..Hα-helixtrans-58.9-47.7177.1-173.5-172.4151.900111.9K191 Q294 D298 V299 I300 I304 Q305 S306K191-E302 VanDerWaalsContact CE-OE1 3.29Å; K191-E302 WeakPolarHBondContact CE-OE1 3.24Å; K191-E302 IonicContact NZ-OE1 2.93Å; K191-E302 PolarHBondContact NZ-OE1 2.95Å; Q294-E302 PolarHBondContact NE2-OE2 3.07Å; D298-E302 WeakPolarHBondContact O-CB 3.45Å; D298-E302 PolarHBondContact O-N 2.81Å; V299-E302 PolarHBondContact O-N 3.45Å; I300-E302 VanDerWaalsContact C-N 3.34Å; I300-E302 PolarHBondContact O-N 3.39Å; E302-I304 VanDerWaalsContact C-N 3.33Å; E302-I304 PolarHBondContact O-N 2.89Å; E302-Q305 CarbonylContact O-C 3.52Å; E302-Q305 PolarHBondContact O-N 2.87Å; E302-Q305 VanDerWaalsContact O-N 3.15Å; E302-S306 PolarHBondContact O-N 3.29Å
303V98.1Very high97.1Very high0 Ų047.8 Ų47.80%024%0.244CC..Hα-helixtrans-57.2-46.6177168.40000111.1I166 A177 P179 C189 K191 V299 I300 D301 Q305 S306 C307I166-V303 HydrophobicContact CD1-CB 4.13Å; I166-V303 HydrophobicContact CD1-CG1 3.6Å; A177-V303 HydrophobicContact CB-CG2 3.96Å; P179-V303 HydrophobicContact CB-CG1 4.11Å; P179-V303 HydrophobicContact CG-CG1 3.71Å; C189-V303 WeakPolarHBondContact O-CG1 3.45Å; K191-V303 HydrophobicContact CB-CG2 3.61Å; K191-V303 HydrophobicContact CG-CG2 3.36Å; V299-V303 HydrophobicContact CG1-CG2 4.39Å; V299-V303 VanDerWaalsContact O-CG2 3.25Å; V299-V303 WeakPolarHBondContact O-CG2 3.25Å; V299-V303 PolarHBondContact O-N 3.45Å; I300-V303 PolarHBondContact O-N 3.42Å; D301-V303 PolarHBondContact O-N 3.08Å; V303-Q305 VanDerWaalsContact C-N 3.33Å; V303-Q305 PolarHBondContact O-N 3.23Å; V303-S306 PolarHBondContact O-N 3.14Å; V303-S306 PolarHBondContact O-OG 3.29Å; V303-C307 PolarHBondContact O-N 3.49Å; V303-C307 PolarHBondContact O-SG 3.4Å
304I98.1Very high97.1Very high0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-68.9-36.3179.8-61.3167.7000110.4I166 I300 D301 E302 S306 C307 R312 L315 Y316I166-I304 HydrophobicContact CD1-CD1 4.47Å; I166-I304 HydrophobicContact CD1-CG1 4.02Å; I166-I304 HydrophobicContact CG2-CD1 4.24Å; I300-I304 HydrophobicContact CG2-CD1 3.83Å; I300-I304 VanDerWaalsContact O-CG1 3.29Å; I300-I304 WeakPolarHBondContact O-CG1 3.29Å; I300-I304 PolarHBondContact O-N 2.93Å; D301-I304 PolarHBondContact O-N 2.86Å; E302-I304 VanDerWaalsContact C-N 3.33Å; E302-I304 PolarHBondContact O-N 2.89Å; I304-S306 VanDerWaalsContact C-N 3.35Å; I304-C307 WeakPolarHBondContact O-CB 3.41Å; I304-C307 PolarHBondContact O-N 3.27Å; I304-R312 HydrophobicContact CG2-CB 3.84Å; I304-R312 HydrophobicContact CG2-CG 4.27Å; I304-R312 VanDerWaalsContact O-CD 3.31Å; I304-R312 WeakPolarHBondContact O-CD 3.48Å; I304-R312 VanDerWaalsContact O-CG 3.31Å; I304-R312 WeakPolarHBondContact O-CG 3.14Å; I304-R312 PolarHBondContact O-NE 3.31Å; I304-L315 HydrophobicContact CD1-CB 4.43Å; I304-L315 HydrophobicContact CG1-CB 4.12Å; I304-L315 HydrophobicContact CG2-CB 4.02Å; I304-L315 HydrophobicContact CG2-CD1 4.32Å; I304-Y316 HydrophobicContact CB-CE1 4.45Å; I304-Y316 HydrophobicContact CB-CE2 4.03Å; I304-Y316 HydrophobicContact CD1-CD1 3.62Å; I304-Y316 HydrophobicContact CD1-CD2 4.37Å; I304-Y316 HydrophobicContact CD1-CE1 3.63Å; I304-Y316 HydrophobicContact CD1-CE2 4.36Å; I304-Y316 HydrophobicContact CD1-CG 4Å; I304-Y316 HydrophobicContact CG2-CD2 3.61Å; I304-Y316 HydrophobicContact CG2-CE1 4.41Å; I304-Y316 HydrophobicContact CG2-CE2 3.25Å; I304-Y316 HydrophobicContact CG2-CG 4.29Å
305Q97.3Very high97.2Very high54 Ų5441 Ų4125%0.25222%0.215SC..Hα-helixtrans-72.3-23.4176.8-68.5-51.7-43.500113.7D301 E302 V303 R312 Y316D301-Q305 WeakPolarHBondContact O-CB 3.45Å; D301-Q305 VanDerWaalsContact O-CG 3.25Å; D301-Q305 WeakPolarHBondContact O-CG 3.1Å; D301-Q305 PolarHBondContact O-N 2.98Å; E302-Q305 CarbonylContact O-C 3.52Å; E302-Q305 PolarHBondContact O-N 2.87Å; E302-Q305 VanDerWaalsContact O-N 3.15Å; V303-Q305 VanDerWaalsContact C-N 3.33Å; V303-Q305 PolarHBondContact O-N 3.23Å; Q305-R312 PolarHBondContact O-NE 2.93Å; Q305-R312 PolarHBondContact O-NH1 3.02Å; Q305-R312 PolarHBondContact O-NH2 3.41Å; Q305-Y316 PolarHBondContact NE2-OH 3.46Å
306S97.9Very high97.2Very high60 Ų6040.1 Ų40.142%0.4221%0.209SC..Hα-helixtrans-79.1-20.6172.468.60000112.8C189 E302 V303 I304C189-S306 WeakPolarHBondContact CB-OG 3.42Å; C189-S306 VanDerWaalsContact SG-C 3.6Å; C189-S306 PolarHBondContact SG-O 3.34Å; C189-S306 PolarHBondContact SG-OG 3.5Å; C189-S306 VanDerWaalsContact SG-OG 3.33Å; E302-S306 PolarHBondContact O-N 3.29Å; V303-S306 PolarHBondContact O-N 3.14Å; V303-S306 PolarHBondContact O-OG 3.29Å; I304-S306 VanDerWaalsContact C-N 3.35Å
307C98Very high97.1Very high1 Ų144.8 Ų44.81%0.00723%0.23CC..SBendtrans-68.9160.2176.4-68.20000112.7P179 I186 V303 I304 V311 R312 L315P179-C307 VanDerWaalsContact CB-SG 3.54Å; I186-C307 HydrophobicContact CD1-CB 4.45Å; V303-C307 PolarHBondContact O-N 3.49Å; V303-C307 PolarHBondContact O-SG 3.4Å; I304-C307 WeakPolarHBondContact O-CB 3.41Å; I304-C307 PolarHBondContact O-N 3.27Å; C307-V311 HydrophobicContact CB-CG2 3.96Å; C307-R312 VanDerWaalsContact O-CZ 3.29Å; C307-R312 PolarHBondContact O-NE 3Å; C307-R312 PolarHBondContact O-NH2 3.43Å; C307-L315 HydrophobicContact CB-CD1 3.85Å
308P97.7Very high97.1Very high66 Ų6645.3 Ų45.343%0.42923%0.232SC..  trans-52.3144.8171.1-27.536.9000113.1D310 V311 R312P308-D310 VanDerWaalsContact C-N 3.32Å; P308-D310 WeakPolarHBondContact CB-OD1 3.49Å; P308-D310 PolarHBondContact O-N 2.9Å; P308-V311 HydrophobicContact CB-CG2 4.13Å; P308-V311 HydrophobicContact CG-CG2 4.46Å; P308-V311 WeakPolarHBondContact O-CG2 3.2Å; P308-V311 PolarHBondContact O-N 3.5Å; P308-R312 WeakPolarHBondContact O-CG 3.26Å; P308-R312 PolarHBondContact O-N 3.35Å
309I95.4Very high97.1Very high135 Ų13542.4 Ų42.469%0.69222%0.217SC*.Hα-helixtrans-62.9-37.6-168.7-67174.6000112.6V311 R312I309-V311 VanDerWaalsContact C-N 3.34Å; I309-V311 PolarHBondContact O-N 3.29Å; I309-R312 PolarHBondContact O-N 2.84Å
310D95.3Very high97.1Very high127 Ų12742.2 Ų42.268%0.67922%0.216SC*.Hα-helixtrans-62.5-35179.250.2-9.9000113.2P308P308-D310 VanDerWaalsContact C-N 3.32Å; P308-D310 WeakPolarHBondContact CB-OD1 3.49Å; P308-D310 PolarHBondContact O-N 2.9Å
311V96.5Very high97.1Very high26 Ų2642.2 Ų42.216%0.15822%0.216CC..Hα-helixtrans-88.9-16-179.3-58.30000114.2A181 I186 C307 P308 I309 R313 P314 L315A181-V311 HydrophobicContact CB-CG1 4.14Å; I186-V311 HydrophobicContact CD1-CG2 4.13Å; C307-V311 HydrophobicContact CB-CG2 3.96Å; P308-V311 HydrophobicContact CB-CG2 4.13Å; P308-V311 HydrophobicContact CG-CG2 4.46Å; P308-V311 WeakPolarHBondContact O-CG2 3.2Å; P308-V311 PolarHBondContact O-N 3.5Å; I309-V311 VanDerWaalsContact C-N 3.34Å; I309-V311 PolarHBondContact O-N 3.29Å; V311-R313 PolarHBondContact O-N 3.34Å; V311-P314 WeakPolarHBondContact O-CD 3.06Å; V311-L315 HydrophobicContact CG2-CD1 4.02Å; V311-L315 VanDerWaalsContact O-CG 3.29Å; V311-L315 WeakPolarHBondContact O-CG 3.3Å; V311-L315 PolarHBondContact O-N 2.83Å
312R97.1Very high97Very high58 Ų5841.6 Ų41.622%0.21921%0.212CC..Hα-helixtrans-58.2-44.3-173.1-55.6-167.3-175.4169.73.7113.9I304 Q305 C307 P308 I309 L315 Y316I304-R312 HydrophobicContact CG2-CB 3.84Å; I304-R312 HydrophobicContact CG2-CG 4.27Å; I304-R312 VanDerWaalsContact O-CD 3.31Å; I304-R312 WeakPolarHBondContact O-CD 3.48Å; I304-R312 VanDerWaalsContact O-CG 3.31Å; I304-R312 WeakPolarHBondContact O-CG 3.14Å; I304-R312 PolarHBondContact O-NE 3.31Å; Q305-R312 PolarHBondContact O-NE 2.93Å; Q305-R312 PolarHBondContact O-NH1 3.02Å; Q305-R312 PolarHBondContact O-NH2 3.41Å; C307-R312 VanDerWaalsContact O-CZ 3.29Å; C307-R312 PolarHBondContact O-NE 3Å; C307-R312 PolarHBondContact O-NH2 3.43Å; P308-R312 WeakPolarHBondContact O-CG 3.26Å; P308-R312 PolarHBondContact O-N 3.35Å; I309-R312 PolarHBondContact O-N 2.84Å; R312-L315 PolarHBondContact O-N 2.7Å; R312-Y316 WeakPolarHBondContact O-CD2 3.46Å; R312-Y316 PolarHBondContact O-N 2.7Å
313R95.8Very high96.9Very high105 Ų10538.6 Ų38.640%0.39620%0.201SC..Hα-helixtrans-64.2-48.5-179.1-76.2-178.2176.2-81.8-3.2111.8V311 L315 Y316 K317 K361 P362 M363V311-R313 PolarHBondContact O-N 3.34Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 2.97Å; R313-Y316 PolarHBondContact O-N 2.9Å; R313-K317 PolarHBondContact O-N 3Å; R313-K317 VanDerWaalsContact O-N 3.16Å; R313-K361 PolarHBondContact NH1-O 3.49Å; R313-K361 PolarHBondContact NH2-O 2.88Å; R313-P362 PolarHBondContact NH1-O 3.34Å; R313-P362 VanDerWaalsContact NH1-O 3.16Å; R313-M363 HydrophobicContact CG-SD 3.88Å
314P95.8Very high96.6Very high56 Ų5640.5 Ų40.536%0.36422%0.22SC..Hα-helixtrans-51.5-44.1168.2-29.532.5000113.9T164 V311 K317 N318T164-P314 HydrophobicContact CG2-CB 3.63Å; V311-P314 WeakPolarHBondContact O-CD 3.06Å; P314-K317 PolarHBondContact O-N 3.2Å; P314-N318 PolarHBondContact O-N 2.79Å; P314-N318 VanDerWaalsContact O-N 3.12Å
315L97.4Very high96.6Very high0 Ų040.9 Ų40.90%022%0.223CC..Hα-helixtrans-63.1-45179.9-65.5174.1000112.7G165 I166 P179 V180 I304 C307 V311 R312 R313 K317 N318G165-L315 VanDerWaalsContact O-CD2 3.23Å; G165-L315 WeakPolarHBondContact O-CD2 3.44Å; I166-L315 HydrophobicContact CB-CD2 4.47Å; P179-L315 HydrophobicContact CB-CD1 4.17Å; P179-L315 HydrophobicContact CB-CD2 4.36Å; V180-L315 WeakPolarHBondContact O-CD2 3.43Å; I304-L315 HydrophobicContact CD1-CB 4.43Å; I304-L315 HydrophobicContact CG1-CB 4.12Å; I304-L315 HydrophobicContact CG2-CB 4.02Å; I304-L315 HydrophobicContact CG2-CD1 4.32Å; C307-L315 HydrophobicContact CB-CD1 3.85Å; V311-L315 HydrophobicContact CG2-CD1 4.02Å; V311-L315 VanDerWaalsContact O-CG 3.29Å; V311-L315 WeakPolarHBondContact O-CG 3.3Å; V311-L315 PolarHBondContact O-N 2.83Å; R312-L315 PolarHBondContact O-N 2.7Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 2.97Å; L315-K317 VanDerWaalsContact C-N 3.27Å; L315-K317 PolarHBondContact O-N 3.21Å; L315-N318 CarbonylContact O-C 3.6Å; L315-N318 PolarHBondContact O-N 2.96Å
316Y97.3Very high96.5Very high0 Ų038.5 Ų38.50%021%0.212CC..Hα-helixtrans-62.6-33.9175.4-81.4-69.4000113.2D301 I304 Q305 R312 R313 N318 L339 R346 M363 E364 V365 Q366D301-Y316 PolarHBondContact OD1-OH 3.48Å; I304-Y316 HydrophobicContact CB-CE1 4.45Å; I304-Y316 HydrophobicContact CB-CE2 4.03Å; I304-Y316 HydrophobicContact CD1-CD1 3.62Å; I304-Y316 HydrophobicContact CD1-CD2 4.37Å; I304-Y316 HydrophobicContact CD1-CE1 3.63Å; I304-Y316 HydrophobicContact CD1-CE2 4.36Å; I304-Y316 HydrophobicContact CD1-CG 4Å; I304-Y316 HydrophobicContact CG2-CD2 3.61Å; I304-Y316 HydrophobicContact CG2-CE1 4.41Å; I304-Y316 HydrophobicContact CG2-CE2 3.25Å; I304-Y316 HydrophobicContact CG2-CG 4.29Å; Q305-Y316 PolarHBondContact NE2-OH 3.46Å; R312-Y316 WeakPolarHBondContact O-CD2 3.46Å; R312-Y316 PolarHBondContact O-N 2.7Å; R313-Y316 PolarHBondContact O-N 2.9Å; Y316-N318 VanDerWaalsContact C-N 3.32Å; Y316-L339 HydrophobicContact CD1-CD2 4.13Å; Y316-L339 HydrophobicContact CD1-CG 4.4Å; Y316-L339 HydrophobicContact CE1-CD1 4.1Å; Y316-L339 HydrophobicContact CE1-CD2 4.23Å; Y316-L339 HydrophobicContact CE1-CG 4.16Å; Y316-R346 PolarHBondContact OH-NH2 3.47Å; Y316-M363 HydrophobicContact CD1-CG 4.25Å; Y316-M363 HydrophobicContact CD2-CE 3.65Å; Y316-M363 HydrophobicContact CD2-CG 3.65Å; Y316-M363 HydrophobicContact CD2-SD 3.41Å; Y316-M363 WeakPolarHBondContact CD2-SD 3.19Å; Y316-M363 HydrophobicContact CE2-CE 3.57Å; Y316-M363 HydrophobicContact CE2-CG 4.25Å; Y316-M363 HydrophobicContact CE2-SD 4.01Å; Y316-M363 HydrophobicContact CG-CG 3.67Å; Y316-M363 HydrophobicContact CG-SD 4.01Å; Y316-E364 CarbonylContact C-O 3.53Å; Y316-V365 HydrophobicContact CD1-CG2 3.95Å; Y316-V365 HydrophobicContact CG-CG2 4.46Å; Y316-V365 WeakPolarHBondContact O-CA 3.44Å; Y316-Q366 PolarHBondContact O-N 2.83Å
317K95.8Very high96.5Very high99 Ų9939.9 Ų39.943%0.4321%0.213SC..Hα-helixtrans-76.9-19.1-179.1-169.3177.4179.4174.80112.8R313 P314 L315 E364 Q366R313-K317 PolarHBondContact O-N 3Å; R313-K317 VanDerWaalsContact O-N 3.16Å; P314-K317 PolarHBondContact O-N 3.2Å; L315-K317 VanDerWaalsContact C-N 3.27Å; L315-K317 PolarHBondContact O-N 3.21Å; K317-E364 WeakPolarHBondContact CD-OE2 3.36Å; K317-E364 VanDerWaalsContact CE-OE2 3.32Å; K317-E364 WeakPolarHBondContact CE-OE2 3.41Å; K317-E364 HydrophobicContact CG-CG 4.37Å; K317-E364 PolarHBondContact N-O 2.71Å; K317-E364 IonicContact NZ-OE2 2.7Å; K317-E364 PolarHBondContact NZ-OE2 3.22Å; K317-Q366 WeakPolarHBondContact O-CB 3.35Å
318N96.8Very high96.4Very high13 Ų1341 Ų417%0.0722%0.218CC..  trans-133.974.5-176.6-169.130.7000111.4T164 G165 I166 P314 L315 Y316 V320T164-N318 PolarHBondContact O-ND2 3.23Å; G165-N318 CarbonylContact C-O 3.54Å; G165-N318 WeakPolarHBondContact CA-O 3.46Å; I166-N318 PolarHBondContact N-O 2.74Å; P314-N318 PolarHBondContact O-N 2.79Å; P314-N318 VanDerWaalsContact O-N 3.12Å; L315-N318 CarbonylContact O-C 3.6Å; L315-N318 PolarHBondContact O-N 2.96Å; Y316-N318 VanDerWaalsContact C-N 3.32Å; N318-V320 WeakPolarHBondContact OD1-CG2 3.47Å
319I97.9Very high96.4Very high0 Ų044.9 Ų44.90%022%0.224CC..EExtended strand (participates in β ladder)trans-95.4105.2174.9-54.4170.4000107.8I166 I168 L335 L339 V365 Q366 V367 V368I166-I319 HydrophobicContact CG2-CB 3.94Å; I166-I319 HydrophobicContact CG2-CG1 3.55Å; I166-I319 HydrophobicContact CG2-CG2 3.95Å; I166-I319 CarbonylContact O-C 3.55Å; I166-I319 WeakPolarHBondContact O-CA 3.34Å; I168-I319 HydrophobicContact CG1-CG2 3.95Å; I319-L335 HydrophobicContact CG2-CD2 4.42Å; I319-L339 HydrophobicContact CD1-CD2 3.21Å; I319-V365 HydrophobicContact CD1-CG1 3.97Å; I319-Q366 WeakPolarHBondContact CB-O 3.32Å; I319-Q366 PolarHBondContact N-O 2.7Å; I319-V367 HydrophobicContact CB-CG2 4.07Å; I319-V367 HydrophobicContact CD1-CG2 4.02Å; I319-V367 HydrophobicContact CG2-CG1 4.4Å; I319-V367 HydrophobicContact CG2-CG2 4.09Å; I319-V367 CarbonylContact O-C 3.41Å; I319-V367 WeakPolarHBondContact O-CA 3.46Å; I319-V368 PolarHBondContact O-N 3.44Å
320V97.8Very high96.5Very high0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-98.2134.9-176.7175.70000110.4L149 I166 V167 I168 N318 V368L149-V320 HydrophobicContact CD2-CB 4.12Å; L149-V320 HydrophobicContact CD2-CG2 3.68Å; I166-V320 PolarHBondContact O-N 2.99Å; V167-V320 CarbonylContact C-O 3.59Å; V167-V320 WeakPolarHBondContact CA-O 3.5Å; I168-V320 PolarHBondContact N-O 2.87Å; N318-V320 WeakPolarHBondContact OD1-CG2 3.47Å; V320-V368 HydrophobicContact CG2-CB 4.28Å; V320-V368 HydrophobicContact CG2-CG2 4.46Å
321L97.7Very high96.6Very high0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-96.9133177.5-61.4-177.1000110.6I168 T326 F331 L335 V367 T369 Q373I168-L321 HydrophobicContact CB-CD2 3.82Å; I168-L321 HydrophobicContact CG1-CD2 4.09Å; I168-L321 HydrophobicContact CG2-CD2 4.38Å; L321-T326 HydrophobicContact CB-CG2 4.31Å; L321-F331 HydrophobicContact CD1-CD1 3.82Å; L321-F331 HydrophobicContact CD1-CE1 4.28Å; L321-F331 HydrophobicContact CD2-CD1 4.29Å; L321-F331 HydrophobicContact CD2-CE1 3.9Å; L321-L335 HydrophobicContact CD2-CD2 3.97Å; L321-V367 HydrophobicContact CD1-CG1 3.8Å; L321-V367 HydrophobicContact CD2-CG1 4.03Å; L321-V367 HydrophobicContact CG-CG1 3.81Å; L321-T369 HydrophobicContact CD1-CG2 3.84Å; L321-Q373 HydrophobicContact CB-CG 4.44Å
322S96.5Very high96.6Very high2 Ų234 Ų341%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-132.5145.8177.4173.30000110.8I168 D169 S170 T326I168-S322 PolarHBondContact O-N 3.38Å; I168-S322 VanDerWaalsContact O-O 3.13Å; D169-S322 WeakPolarHBondContact CA-O 3.47Å; D169-S322 WeakPolarHBondContact OD1-CB 3.42Å; D169-S322 PolarHBondContact OD1-OG 3.46Å; S170-S322 PolarHBondContact N-O 2.98Å; S322-T326 WeakPolarHBondContact O-CG2 3.32Å
323G94.1Very high96.6Very high9 Ų940 Ų409%0.09319%0.19CC..SBendtrans93.4155171.100000113.9S170 S325 T326 Q373S170-G323 CarbonylContact O-C 3.48Å; S170-G323 VanDerWaalsContact O-C 3.26Å; S170-G323 WeakPolarHBondContact O-CA 3.37Å; G323-S325 VanDerWaalsContact C-N 3.26Å; G323-S325 PolarHBondContact O-N 2.94Å; G323-T326 PolarHBondContact O-N 3.27Å; G323-T326 VanDerWaalsContact O-N 3.09Å; G323-T326 PolarHBondContact O-OG1 3.11Å; G323-Q373 PolarHBondContact N-O 2.55Å
324G93.6Very high96.7Very high39 Ų3935.9 Ų35.940%0.40218%0.175SC..G310 helixtrans-60.7-29.7-171.200000114.6S170 T326 M327S170-G324 PolarHBondContact O-N 3.36Å; G324-T326 PolarHBondContact O-N 3.49Å; G324-M327 VanDerWaalsContact O-CB 3.23Å; G324-M327 WeakPolarHBondContact O-CB 3.33Å; G324-M327 WeakPolarHBondContact O-CG 3.17Å; G324-M327 PolarHBondContact O-N 2.77Å
325S96.3Very high96.8Very high9 Ų933.2 Ų33.26%0.06316%0.157CC..G310 helixtrans-79-6.8-179.3-59.30000113S170 G171 G197 G323 F328S170-S325 WeakPolarHBondContact O-CB 3.42Å; S170-S325 PolarHBondContact O-N 3.19Å; S170-S325 VanDerWaalsContact OG-CB 3.27Å; S170-S325 WeakPolarHBondContact OG-CB 3.19Å; G171-S325 PolarHBondContact O-OG 3.48Å; G197-S325 WeakPolarHBondContact CA-OG 3.35Å; G197-S325 PolarHBondContact N-OG 3.42Å; G323-S325 VanDerWaalsContact C-N 3.26Å; G323-S325 PolarHBondContact O-N 2.94Å; S325-F328 WeakPolarHBondContact O-CD2 3.34Å; S325-F328 VanDerWaalsContact O-CE2 3.31Å; S325-F328 WeakPolarHBondContact O-CE2 3.41Å
326T97Very high96.8Very high3 Ų336.6 Ų36.62%0.01817%0.173CC..G310 helixtrans-87.8-4.3169.171.10000113.4L321 S322 G323 G324 F328 F331L321-T326 HydrophobicContact CB-CG2 4.31Å; S322-T326 WeakPolarHBondContact O-CG2 3.32Å; G323-T326 PolarHBondContact O-N 3.27Å; G323-T326 VanDerWaalsContact O-N 3.09Å; G323-T326 PolarHBondContact O-OG1 3.11Å; G324-T326 PolarHBondContact O-N 3.49Å; T326-F328 VanDerWaalsContact C-N 3.25Å; T326-F328 PolarHBondContact O-N 3.26Å; T326-F331 HydrophobicContact CG2-CE1 4.21Å
327M96.6Very high96.8Very high89 Ų8940 Ų4044%0.43819%0.186SC..  trans-78-3.6-175.6-64.5-65.3-65.400114G324 R329 Q373 R374G324-M327 VanDerWaalsContact O-CB 3.23Å; G324-M327 WeakPolarHBondContact O-CB 3.33Å; G324-M327 WeakPolarHBondContact O-CG 3.17Å; G324-M327 PolarHBondContact O-N 2.77Å; M327-R329 PolarHBondContact O-N 3.01Å; M327-Q373 HydrophobicContact SD-CB 3.4Å; M327-Q373 WeakPolarHBondContact SD-CB 3.16Å; M327-R374 HydrophobicContact CE-CB 4.36Å; M327-R374 HydrophobicContact CG-CB 4.22Å; M327-R374 HydrophobicContact SD-CB 4.07Å
328F97.1Very high96.9Very high24 Ų2436.4 Ų36.411%0.10517%0.172CC..SBendtrans-58.3135176.9-65.7-67.6000110.6I200 K228 C232 I234 P279 F282 S325 T326 D330 F331I200-F328 HydrophobicContact CD1-CE2 3.67Å; I200-F328 HydrophobicContact CD1-CZ 4Å; I200-F328 HydrophobicContact CG2-CZ 4.23Å; K228-F328 HydrophobicContact CD-CZ 4.25Å; K228-F328 HydrophobicContact CG-CE1 3.93Å; K228-F328 HydrophobicContact CG-CZ 3.8Å; C232-F328 HydrophobicContact CB-CD1 4.12Å; C232-F328 HydrophobicContact CB-CE1 3.86Å; I234-F328 HydrophobicContact CG1-CB 4.06Å; P279-F328 HydrophobicContact CB-CD1 4.16Å; P279-F328 HydrophobicContact CB-CD2 3.95Å; P279-F328 HydrophobicContact CB-CE1 4.37Å; P279-F328 HydrophobicContact CB-CE2 4.17Å; P279-F328 HydrophobicContact CB-CG 3.95Å; P279-F328 HydrophobicContact CB-CZ 4.37Å; P279-F328 HydrophobicContact CG-CD1 3.55Å; P279-F328 HydrophobicContact CG-CD2 4.18Å; P279-F328 HydrophobicContact CG-CE1 3.57Å; P279-F328 HydrophobicContact CG-CE2 4.2Å; P279-F328 HydrophobicContact CG-CG 3.87Å; P279-F328 HydrophobicContact CG-CZ 3.9Å; F282-F328 HydrophobicContact CE2-CD2 4.38Å; F282-F328 HydrophobicContact CE2-CE2 4.14Å; S325-F328 WeakPolarHBondContact O-CD2 3.34Å; S325-F328 VanDerWaalsContact O-CE2 3.31Å; S325-F328 WeakPolarHBondContact O-CE2 3.41Å; T326-F328 VanDerWaalsContact C-N 3.25Å; T326-F328 PolarHBondContact O-N 3.26Å; F328-D330 PolarHBondContact O-N 3.16Å; F328-F331 HydrophobicContact CB-CB 4.26Å; F328-F331 WeakPolarHBondContact O-CB 3.37Å; F328-F331 PolarHBondContact O-N 2.96Å; F328-F331 VanDerWaalsContact O-N 3.11Å
329R96.8Very high96.9Very high149 Ų14935.8 Ų35.856%0.56217%0.168SC*.BIsolated β-bridgetrans-56.6136.7176.1-169.6-177.368.3-167.6-5.5109.6I234 M327 F331I234-R329 WeakPolarHBondContact CB-O 3.13Å; I234-R329 PolarHBondContact N-O 3.19Å; M327-R329 PolarHBondContact O-N 3.01Å; R329-F331 PolarHBondContact O-N 3.29Å
330D96.9Very high96.9Very high54 Ų5440.4 Ų40.429%0.28919%0.188SC..THydrogen-bonded Turntrans67.54.9-178.8-63.3-65.1000116.2I234 F328 G332 R333 R334I234-D330 HydrophobicContact CB-CB 4.47Å; F328-D330 PolarHBondContact O-N 3.16Å; D330-G332 PolarHBondContact O-N 3.12Å; D330-R333 PolarHBondContact O-N 3.27Å; D330-R333 IonicContact OD1-CZ 2.67Å; D330-R333 IonicContact OD1-NE 2.83Å; D330-R333 IonicContact OD1-NH1 3.94Å; D330-R333 PolarHBondContact OD1-NH1 3.06Å; D330-R334 WeakPolarHBondContact O-CB 3.08Å; D330-R334 PolarHBondContact O-N 3.23Å
331F97.8Very high96.8Very high1 Ų147.6 Ų47.60%0.00422%0.215CC..Hα-helixtrans-54.8-56.3177.7-175.5-89000112.7I234 F282 F283 I296 L321 T326 F328 R329 R333 R334 L335I234-F331 HydrophobicContact CD1-CD2 4.37Å; I234-F331 HydrophobicContact CG1-CB 4.18Å; I234-F331 HydrophobicContact CG1-CD2 4.1Å; F282-F331 HydrophobicContact CB-CE2 4.3Å; F282-F331 HydrophobicContact CD1-CE2 4.47Å; F282-F331 HydrophobicContact CD2-CD2 4.39Å; F282-F331 AromaticContact CD2-CE2 3.62Å; F282-F331 HydrophobicContact CD2-CE2 3.62Å; F282-F331 AromaticContact CE2-CE2 3.92Å; F282-F331 HydrophobicContact CE2-CE2 3.92Å; F282-F331 AromaticContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CE2 3.9Å; F283-F331 HydrophobicContact CE2-CD2 4.39Å; F283-F331 HydrophobicContact CE2-CE2 4.36Å; I296-F331 HydrophobicContact CD1-CZ 3.91Å; L321-F331 HydrophobicContact CD1-CD1 3.82Å; L321-F331 HydrophobicContact CD1-CE1 4.28Å; L321-F331 HydrophobicContact CD2-CD1 4.29Å; L321-F331 HydrophobicContact CD2-CE1 3.9Å; T326-F331 HydrophobicContact CG2-CE1 4.21Å; F328-F331 HydrophobicContact CB-CB 4.26Å; F328-F331 WeakPolarHBondContact O-CB 3.37Å; F328-F331 PolarHBondContact O-N 2.96Å; F328-F331 VanDerWaalsContact O-N 3.11Å; R329-F331 PolarHBondContact O-N 3.29Å; F331-R333 VanDerWaalsContact C-N 3.28Å; F331-R333 PolarHBondContact O-N 2.82Å; F331-R334 PolarHBondContact O-N 3.06Å; F331-L335 HydrophobicContact CE1-CD2 4.34Å; F331-L335 WeakPolarHBondContact O-CB 3.41Å; F331-L335 PolarHBondContact O-N 3.27Å
332G97.1Very high96.7Very high5 Ų549.6 Ų49.65%0.05223%0.228CC..Hα-helixtrans-62.8-33.8179.900000113.4D330 Q336D330-G332 PolarHBondContact O-N 3.12Å; G332-Q336 WeakPolarHBondContact O-CB 3.35Å; G332-Q336 PolarHBondContact O-N 3.36Å
333R97.1Very high96.6Very high183 Ų18349.5 Ų49.569%0.69123%0.227SC*.Hα-helixtrans-68.6-44.6178.1-176.2-176-70.2162.5-8.4111.5D330 F331 R337D330-R333 PolarHBondContact O-N 3.27Å; D330-R333 IonicContact OD1-CZ 2.67Å; D330-R333 IonicContact OD1-NE 2.83Å; D330-R333 IonicContact OD1-NH1 3.94Å; D330-R333 PolarHBondContact OD1-NH1 3.06Å; F331-R333 VanDerWaalsContact C-N 3.28Å; F331-R333 PolarHBondContact O-N 2.82Å; R333-R337 WeakPolarHBondContact O-CB 3.48Å; R333-R337 PolarHBondContact O-N 3.24Å
334R97.7Very high96.6Very high19 Ų1950.9 Ų50.97%0.07223%0.232CC..Hα-helixtrans-61-48.9175.1175.669-176.7-87.2-8.5110.5I234 C235 E280 F283 D330 F331 Q336 R337 D338I234-R334 HydrophobicContact CG2-CB 3.48Å; I234-R334 VanDerWaalsContact CG2-CB 3.48Å; I234-R334 HydrophobicContact CG2-CG 3.65Å; C235-R334 PolarHBondContact O-NH1 2.81Å; E280-R334 IonicContact OE1-CZ 3.82Å; E280-R334 IonicContact OE1-NH1 3.63Å; E280-R334 PolarHBondContact OE1-NH1 2.9Å; E280-R334 IonicContact OE1-NH2 3.5Å; E280-R334 PolarHBondContact OE1-NH2 3.02Å; E280-R334 IonicContact OE2-CZ 3.56Å; E280-R334 IonicContact OE2-NH1 3.56Å; E280-R334 PolarHBondContact OE2-NH1 3.42Å; F283-R334 HydrophobicContact CD1-CG 3.92Å; F283-R334 HydrophobicContact CD2-CG 4.17Å; F283-R334 HydrophobicContact CE1-CB 4.34Å; F283-R334 HydrophobicContact CE1-CG 3.45Å; F283-R334 VanDerWaalsContact CE1-CG 3.45Å; F283-R334 HydrophobicContact CE2-CB 4.44Å; F283-R334 HydrophobicContact CE2-CG 3.74Å; F283-R334 HydrophobicContact CG-CG 4.26Å; F283-R334 HydrophobicContact CZ-CB 3.94Å; F283-R334 HydrophobicContact CZ-CG 3.35Å; D330-R334 WeakPolarHBondContact O-CB 3.08Å; D330-R334 PolarHBondContact O-N 3.23Å; F331-R334 PolarHBondContact O-N 3.06Å; R334-Q336 PolarHBondContact O-N 3.42Å; R334-R337 PolarHBondContact O-N 3.16Å; R334-D338 WeakPolarHBondContact CD-OD2 3.29Å; R334-D338 IonicContact CZ-OD2 3.99Å; R334-D338 IonicContact NE-OD1 2.72Å; R334-D338 IonicContact NE-OD2 3.47Å; R334-D338 PolarHBondContact NE-OD2 3.27Å; R334-D338 IonicContact NH2-OD2 3.23Å; R334-D338 PolarHBondContact O-N 2.87Å
335L97.9Very high96.6Very high0 Ų051.8 Ų51.80%024%0.236CC..Hα-helixtrans-58.4-48.5178.5-174.464.2000112.1F283 I296 S297 I300 I319 L321 F331 R337 D338 L339 V367F283-L335 HydrophobicContact CE1-CD1 4.36Å; F283-L335 HydrophobicContact CZ-CB 4.43Å; I296-L335 HydrophobicContact CG1-CD1 4.41Å; I296-L335 HydrophobicContact CG2-CD1 3.89Å; S297-L335 WeakPolarHBondContact OG-CD1 3.19Å; I300-L335 HydrophobicContact CD1-CD1 3.58Å; I300-L335 HydrophobicContact CD1-CD2 3.81Å; I300-L335 HydrophobicContact CD1-CG 4.14Å; I319-L335 HydrophobicContact CG2-CD2 4.42Å; L321-L335 HydrophobicContact CD2-CD2 3.97Å; F331-L335 HydrophobicContact CE1-CD2 4.34Å; F331-L335 WeakPolarHBondContact O-CB 3.41Å; F331-L335 PolarHBondContact O-N 3.27Å; L335-R337 VanDerWaalsContact C-N 3.33Å; L335-R337 PolarHBondContact O-N 2.99Å; L335-D338 PolarHBondContact O-N 3.23Å; L335-L339 WeakPolarHBondContact O-CB 3.2Å; L335-L339 PolarHBondContact O-N 3.17Å; L335-V367 HydrophobicContact CB-CG2 4.41Å; L335-V367 HydrophobicContact CD2-CG1 4.2Å; L335-V367 HydrophobicContact CD2-CG2 4.18Å; L335-V367 HydrophobicContact CG-CG2 4.21Å
336Q98Very high96.5Very high71 Ų7154.7 Ų54.733%0.33225%0.245SC..Hα-helixtrans-61.6-41.8178.3-171.7173.8-58.700112G332 R334 K340 V365 V367G332-Q336 WeakPolarHBondContact O-CB 3.35Å; G332-Q336 PolarHBondContact O-N 3.36Å; R334-Q336 PolarHBondContact O-N 3.42Å; Q336-K340 WeakPolarHBondContact O-CB 3.31Å; Q336-K340 PolarHBondContact O-N 3.14Å; Q336-V365 HydrophobicContact CG-CG1 4.3Å; Q336-V367 HydrophobicContact CB-CB 4.04Å; Q336-V367 HydrophobicContact CB-CG2 3.62Å; Q336-V367 HydrophobicContact CG-CG2 4.24Å
337R97.4Very high96.3Very high70 Ų7056 Ų5626%0.26425%0.252SS..Hα-helixtrans-63.7-49.7179.9-179.4-164.272.4178.18.1111.3P236 R333 R334 L335 K340 R341P236-R337 PolarHBondContact O-NH1 3.4Å; P236-R337 PolarHBondContact O-NH2 2.94Å; R333-R337 WeakPolarHBondContact O-CB 3.48Å; R333-R337 PolarHBondContact O-N 3.24Å; R334-R337 PolarHBondContact O-N 3.16Å; L335-R337 VanDerWaalsContact C-N 3.33Å; L335-R337 PolarHBondContact O-N 2.99Å; R337-K340 PolarHBondContact O-N 3.46Å; R337-R341 WeakPolarHBondContact O-CG 3.47Å; R337-R341 PolarHBondContact O-N 3.39Å
338D97.1Very high96.1Very high25 Ų2559.5 Ų59.513%0.13426%0.26CS..Hα-helixtrans-70.9-43.4-174.3-70.11.5000110.4R334 L335 K340 R341 T342R334-D338 WeakPolarHBondContact CD-OD2 3.29Å; R334-D338 IonicContact CZ-OD2 3.99Å; R334-D338 IonicContact NE-OD1 2.72Å; R334-D338 IonicContact NE-OD2 3.47Å; R334-D338 PolarHBondContact NE-OD2 3.27Å; R334-D338 IonicContact NH2-OD2 3.23Å; R334-D338 PolarHBondContact O-N 2.87Å; L335-D338 PolarHBondContact O-N 3.23Å; D338-K340 VanDerWaalsContact C-N 3.35Å; D338-K340 PolarHBondContact O-N 3.06Å; D338-R341 WeakPolarHBondContact O-CB 3.49Å; D338-R341 PolarHBondContact O-N 3.03Å; D338-R341 VanDerWaalsContact O-N 3.14Å; D338-R341 IonicContact OD1-NH1 3.7Å; D338-T342 PolarHBondContact O-N 3.03Å; D338-T342 PolarHBondContact O-OG1 2.99Å
339L96.8Very high95.8Very high0 Ų062.8 Ų62.80%028%0.279CS..Hα-helixtrans-61.6-41.3174.2-172.464.1000112.6S297 I300 D301 Y316 I319 L335 R341 T342 A343 V365S297-L339 WeakPolarHBondContact O-CD1 3.39Å; I300-L339 HydrophobicContact CB-CD1 4.48Å; I300-L339 HydrophobicContact CG2-CD1 4.11Å; I300-L339 HydrophobicContact CG2-CD2 3.7Å; D301-L339 HydrophobicContact CB-CD1 3.7Å; Y316-L339 HydrophobicContact CD1-CD2 4.13Å; Y316-L339 HydrophobicContact CD1-CG 4.4Å; Y316-L339 HydrophobicContact CE1-CD1 4.1Å; Y316-L339 HydrophobicContact CE1-CD2 4.23Å; Y316-L339 HydrophobicContact CE1-CG 4.16Å; I319-L339 HydrophobicContact CD1-CD2 3.21Å; L335-L339 WeakPolarHBondContact O-CB 3.2Å; L335-L339 PolarHBondContact O-N 3.17Å; L339-R341 VanDerWaalsContact C-N 3.33Å; L339-R341 PolarHBondContact O-N 3.03Å; L339-T342 PolarHBondContact O-N 2.99Å; L339-A343 WeakPolarHBondContact O-CB 3.41Å; L339-A343 PolarHBondContact O-N 3.03Å; L339-V365 HydrophobicContact CB-CG1 4.23Å; L339-V365 HydrophobicContact CD2-CG1 3.7Å; L339-V365 HydrophobicContact CG-CG1 4.02Å
340K96.7Very high95.6Very high96 Ų9658.1 Ų58.142%0.41727%0.269SS..Hα-helixtrans-62.8-39.7175.2-179.1166.9-177.11520111.9Q336 R337 D338 A343 D344 V365Q336-K340 WeakPolarHBondContact O-CB 3.31Å; Q336-K340 PolarHBondContact O-N 3.14Å; R337-K340 PolarHBondContact O-N 3.46Å; D338-K340 VanDerWaalsContact C-N 3.35Å; D338-K340 PolarHBondContact O-N 3.06Å; K340-A343 PolarHBondContact O-N 3.46Å; K340-D344 WeakPolarHBondContact CE-OD2 3.31Å; K340-D344 WeakPolarHBondContact CG-OD2 3.41Å; K340-D344 VanDerWaalsContact O-CB 3.24Å; K340-D344 WeakPolarHBondContact O-CB 3.25Å; K340-D344 VanDerWaalsContact O-CG 3.25Å; K340-D344 PolarHBondContact O-N 3.16Å; K340-V365 HydrophobicContact CB-CB 4.34Å; K340-V365 HydrophobicContact CB-CG2 4.42Å
341R96.1Very high95.3Very high151 Ų15159.2 Ų59.257%0.5727%0.273SS*.Hα-helixtrans-61.1-46.5175.3-75.4169.4174.2-177.4-4.6111.3R337 D338 L339 A345R337-R341 WeakPolarHBondContact O-CG 3.47Å; R337-R341 PolarHBondContact O-N 3.39Å; D338-R341 WeakPolarHBondContact O-CB 3.49Å; D338-R341 PolarHBondContact O-N 3.03Å; D338-R341 VanDerWaalsContact O-N 3.14Å; D338-R341 IonicContact OD1-NH1 3.7Å; L339-R341 VanDerWaalsContact C-N 3.33Å; L339-R341 PolarHBondContact O-N 3.03Å; R341-A345 WeakPolarHBondContact O-CB 3.33Å; R341-A345 PolarHBondContact O-N 2.81Å
342T95.6Very high95.1Very high43 Ų4365.7 Ų65.726%0.26430%0.303SS..Hα-helixtrans-62.1-47.5178.1-580000111.4D301 D338 L339 A345 R346D301-T342 HydrophobicContact CB-CG2 4.45Å; D338-T342 PolarHBondContact O-N 3.03Å; D338-T342 PolarHBondContact O-OG1 2.99Å; L339-T342 PolarHBondContact O-N 2.99Å; T342-A345 PolarHBondContact O-N 2.89Å; T342-R346 PolarHBondContact O-N 3.31Å; T342-R346 VanDerWaalsContact O-N 3.1Å
343A94.1Very high94.9Very high0 Ų071.9 Ų71.90%033%0.334CS..Hα-helixtrans-62.8-47.317800000112.4L339 K340 A345 R346 L347 M363 V365L339-A343 WeakPolarHBondContact O-CB 3.41Å; L339-A343 PolarHBondContact O-N 3.03Å; K340-A343 PolarHBondContact O-N 3.46Å; A343-A345 PolarHBondContact O-N 3.15Å; A343-R346 PolarHBondContact O-N 3.5Å; A343-L347 WeakPolarHBondContact O-CG 3.43Å; A343-L347 PolarHBondContact O-N 3.4Å; A343-M363 HydrophobicContact CB-CB 4.31Å; A343-V365 HydrophobicContact CB-CG2 4.48Å
344D94.6Very high94.7Very high38 Ų3864.1 Ų64.120%0.20331%0.308CS..Hα-helixtrans-65.1-39.2179.6-74.5-17.7000111.6K340 L347 R348K340-D344 WeakPolarHBondContact CE-OD2 3.31Å; K340-D344 WeakPolarHBondContact CG-OD2 3.41Å; K340-D344 VanDerWaalsContact O-CB 3.24Å; K340-D344 WeakPolarHBondContact O-CB 3.25Å; K340-D344 VanDerWaalsContact O-CG 3.25Å; K340-D344 PolarHBondContact O-N 3.16Å; D344-L347 PolarHBondContact O-N 3.49Å; D344-R348 VanDerWaalsContact O-CG 3.31Å; D344-R348 WeakPolarHBondContact O-CG 3.46Å; D344-R348 PolarHBondContact O-N 3.44Å
345A94.5Very high94.3Very high57 Ų5774 Ų7447%0.47135%0.345SS..Hα-helixtrans-61.3-44.2175.900000111.7R341 T342 A343 L347 R348 L349R341-A345 WeakPolarHBondContact O-CB 3.33Å; R341-A345 PolarHBondContact O-N 2.81Å; T342-A345 PolarHBondContact O-N 2.89Å; A343-A345 PolarHBondContact O-N 3.15Å; A345-L347 PolarHBondContact O-N 3.14Å; A345-R348 PolarHBondContact O-N 2.86Å; A345-L349 PolarHBondContact O-N 2.82Å
346R93.8Very high93.7Very high70 Ų7075.7 Ų75.726%0.26436%0.362SS..Hα-helixtrans-61.9-40.7175.3178.4171.457.9-106.95.1112.5D301 Y316 T342 A343 S350D301-R346 VanDerWaalsContact CG-NH1 3.34Å; D301-R346 IonicContact OD1-CZ 3.45Å; D301-R346 IonicContact OD1-NH1 2.67Å; D301-R346 PolarHBondContact OD1-NH1 2.83Å; D301-R346 IonicContact OD1-NH2 2.7Å; D301-R346 PolarHBondContact OD1-NH2 2.82Å; D301-R346 IonicContact OD2-CZ 2.72Å; D301-R346 IonicContact OD2-NH1 2.77Å; D301-R346 PolarHBondContact OD2-NH1 3.5Å; D301-R346 IonicContact OD2-NH2 2.91Å; Y316-R346 PolarHBondContact OH-NH2 3.47Å; T342-R346 PolarHBondContact O-N 3.31Å; T342-R346 VanDerWaalsContact O-N 3.1Å; A343-R346 PolarHBondContact O-N 3.5Å; R346-S350 PolarHBondContact O-N 3.34Å; R346-S350 PolarHBondContact O-OG 3.43Å
347L92Very high93.1Very high32 Ų3283 Ų8317%0.16839%0.387CS..Hα-helixtrans-67.9-40.7177.4-66.8-175.4000112.2A343 D344 A345 S350 E351 P360 M363A343-L347 WeakPolarHBondContact O-CG 3.43Å; A343-L347 PolarHBondContact O-N 3.4Å; D344-L347 PolarHBondContact O-N 3.49Å; A345-L347 PolarHBondContact O-N 3.14Å; L347-S350 WeakPolarHBondContact O-CB 3.42Å; L347-S350 PolarHBondContact O-N 2.85Å; L347-E351 PolarHBondContact O-N 2.79Å; L347-E351 VanDerWaalsContact O-N 3.09Å; L347-P360 HydrophobicContact CD2-CB 3.68Å; L347-P360 HydrophobicContact CD2-CG 4.19Å; L347-P360 HydrophobicContact CG-CB 4.46Å; L347-M363 HydrophobicContact CD1-CB 4.32Å
348R92.1Very high92.6Very high161 Ų16184.8 Ų84.861%0.60840%0.401SS*.Hα-helixtrans-60.1-46.8175.5-73.9175-169.8175.74.2111.8D344 A345 S350 E351 E352D344-R348 VanDerWaalsContact O-CG 3.31Å; D344-R348 WeakPolarHBondContact O-CG 3.46Å; D344-R348 PolarHBondContact O-N 3.44Å; A345-R348 PolarHBondContact O-N 2.86Å; R348-S350 PolarHBondContact O-N 3.34Å; R348-E351 PolarHBondContact O-N 2.94Å; R348-E351 VanDerWaalsContact O-N 3.11Å; R348-E352 WeakPolarHBondContact O-CG 3.35Å; R348-E352 PolarHBondContact O-N 2.75Å
349L92.4Very high92.2Very high93 Ų9391.3 Ų91.349%0.48743%0.428SS..Hα-helixtrans-58.5-38.6177.2-175.466.7000111.7A345 E352 L353A345-L349 PolarHBondContact O-N 2.82Å; L349-E352 PolarHBondContact O-N 3.07Å; L349-L353 HydrophobicContact CD1-CD1 4.23Å; L349-L353 HydrophobicContact CD1-CG 4.27Å; L349-L353 HydrophobicContact CD2-CD1 4.49Å; L349-L353 HydrophobicContact CG-CD1 3.91Å; L349-L353 HydrophobicContact CG-CG 4.34Å; L349-L353 WeakPolarHBondContact O-CB 3.4Å; L349-L353 VanDerWaalsContact O-CG 3.22Å; L349-L353 WeakPolarHBondContact O-CG 3.44Å; L349-L353 PolarHBondContact O-N 3.23Å
350S91.2Very high91.8Very high52 Ų5293.2 Ų93.236%0.36444%0.44SS..Hα-helixtrans-65.9-40.3177.4-57.10000112.4R346 L347 R348 S354R346-S350 PolarHBondContact O-N 3.34Å; R346-S350 PolarHBondContact O-OG 3.43Å; L347-S350 WeakPolarHBondContact O-CB 3.42Å; L347-S350 PolarHBondContact O-N 2.85Å; R348-S350 PolarHBondContact O-N 3.34Å; S350-S354 VanDerWaalsContact O-CB 3.3Å; S350-S354 WeakPolarHBondContact O-CB 3.47Å; S350-S354 PolarHBondContact O-N 2.92Å; S350-S354 VanDerWaalsContact O-N 3.08Å; S350-S354 PolarHBondContact O-OG 2.93Å
351E92.2Very high91.5Very high77 Ų7796.1 Ų96.136%0.3645%0.453SS..Hα-helixtrans-65.8-46175.9-175.8170.3-163.200111.3L347 R348 S354 R355 G356L347-E351 PolarHBondContact O-N 2.79Å; L347-E351 VanDerWaalsContact O-N 3.09Å; R348-E351 PolarHBondContact O-N 2.94Å; R348-E351 VanDerWaalsContact O-N 3.11Å; E351-S354 PolarHBondContact O-N 3.24Å; E351-S354 PolarHBondContact O-OG 2.93Å; E351-R355 PolarHBondContact O-N 3.05Å; E351-G356 PolarHBondContact O-N 2.91Å
352E93.1Very high91.3Very high137 Ų13793.4 Ų93.464%0.6446%0.455SS*.Hα-helixtrans-60.3-49.5177.8-72172.6-169.400112R348 L349 S354 R355R348-E352 WeakPolarHBondContact O-CG 3.35Å; R348-E352 PolarHBondContact O-N 2.75Å; L349-E352 PolarHBondContact O-N 3.07Å; E352-S354 VanDerWaalsContact C-N 3.27Å; E352-S354 PolarHBondContact O-N 2.63Å; E352-R355 PolarHBondContact O-N 2.92Å
353L93.4Very high91.1Very high134 Ų13492.3 Ų92.370%0.70245%0.447SS*.Hα-helixtrans-63.9-33.2178.4-71.9174.7000112.3L349 R355L349-L353 HydrophobicContact CD1-CD1 4.23Å; L349-L353 HydrophobicContact CD1-CG 4.27Å; L349-L353 HydrophobicContact CD2-CD1 4.49Å; L349-L353 HydrophobicContact CG-CD1 3.91Å; L349-L353 HydrophobicContact CG-CG 4.34Å; L349-L353 WeakPolarHBondContact O-CB 3.4Å; L349-L353 VanDerWaalsContact O-CG 3.22Å; L349-L353 WeakPolarHBondContact O-CG 3.44Å; L349-L353 PolarHBondContact O-N 3.23Å; L353-R355 PolarHBondContact O-N 3.4Å
354S92Very high91.1Very high20 Ų2097.4 Ų97.414%0.1447%0.47CS..THydrogen-bonded Turntrans-78-3.1175.180.30000113.7S350 E351 E352 G356 R357 I358S350-S354 VanDerWaalsContact O-CB 3.3Å; S350-S354 WeakPolarHBondContact O-CB 3.47Å; S350-S354 PolarHBondContact O-N 2.92Å; S350-S354 VanDerWaalsContact O-N 3.08Å; S350-S354 PolarHBondContact O-OG 2.93Å; E351-S354 PolarHBondContact O-N 3.24Å; E351-S354 PolarHBondContact O-OG 2.93Å; E352-S354 VanDerWaalsContact C-N 3.27Å; E352-S354 PolarHBondContact O-N 2.63Å; S354-G356 PolarHBondContact O-N 2.96Å; S354-G356 PolarHBondContact OG-N 2.86Å; S354-R357 VanDerWaalsContact O-CB 3.27Å; S354-R357 WeakPolarHBondContact O-CB 3.34Å; S354-R357 VanDerWaalsContact O-CG 3.23Å; S354-R357 WeakPolarHBondContact O-CG 3.48Å; S354-R357 PolarHBondContact O-N 3.3Å; S354-R357 VanDerWaalsContact O-N 3.09Å; S354-R357 PolarHBondContact OG-N 3.24Å; S354-I358 PolarHBondContact OG-N 2.98Å; S354-I358 PolarHBondContact OG-O 3.46Å
355R89.4Confident91.2Very high228 Ų22896 Ų9686%0.8646%0.463SS*.THydrogen-bonded Turntrans51.640.1-171.5-56.8-178.4-178.1-178.50.1112E351 E352 L353 R357E351-R355 PolarHBondContact O-N 3.05Å; E352-R355 PolarHBondContact O-N 2.92Å; L353-R355 PolarHBondContact O-N 3.4Å; R355-R357 VanDerWaalsContact C-N 3.3Å; R355-R357 PolarHBondContact O-N 3.47Å
356G85.1Confident91.3Very high35 Ų3595.4 Ų95.436%0.36145%0.451SS..THydrogen-bonded Turntrans75.47.8-179.800000115.7E351 S354E351-G356 PolarHBondContact O-N 2.91Å; S354-G356 PolarHBondContact O-N 2.96Å; S354-G356 PolarHBondContact OG-N 2.86Å
357R85.4Confident91.5Very high223 Ų22392.2 Ų92.284%0.84244%0.439SS*.SBendtrans-70.8-32.7175.6-68.3176.7-179.7179.90.1112.4S354 R355S354-R357 VanDerWaalsContact O-CB 3.27Å; S354-R357 WeakPolarHBondContact O-CB 3.34Å; S354-R357 VanDerWaalsContact O-CG 3.23Å; S354-R357 WeakPolarHBondContact O-CG 3.48Å; S354-R357 PolarHBondContact O-N 3.3Å; S354-R357 VanDerWaalsContact O-N 3.09Å; S354-R357 PolarHBondContact OG-N 3.24Å; R355-R357 VanDerWaalsContact C-N 3.3Å; R355-R357 PolarHBondContact O-N 3.47Å
358I87.3Confident91.7Very high109 Ų10990.8 Ų90.856%0.55943%0.432SS*.  trans-112122.7177.3-58.8173.3000107.1S354 P360S354-I358 PolarHBondContact OG-N 2.98Å; S354-I358 PolarHBondContact OG-O 3.46Å; I358-P360 HydrophobicContact CG2-CG 4.29Å; I358-P360 WeakPolarHBondContact O-CD 3.35Å
359K87.9Confident91.8Very high161 Ų16185.6 Ų85.670%0.742%0.418SS*.  trans-112.392.8171.9-70.1-168.8179.3-173.20109.3K361K359-K361 PolarHBondContact O-N 2.95Å
360P88.5Confident91.8Very high40 Ų4081.7 Ų81.726%0.2640%0.397SS..PPolyproline II helixtrans-62.3134.9178.8-1931.5000110.4L347 I358L347-P360 HydrophobicContact CD2-CB 3.68Å; L347-P360 HydrophobicContact CD2-CG 4.19Å; L347-P360 HydrophobicContact CG-CB 4.46Å; I358-P360 HydrophobicContact CG2-CG 4.29Å; I358-P360 WeakPolarHBondContact O-CD 3.35Å
361K91.3Very high91.8Very high157 Ų15788 Ų8868%0.68342%0.42SS*.PPolyproline II helixtrans-61.3129.9169.5178.8179178.3179.20108.8R313 K359R313-K361 PolarHBondContact NH1-O 3.49Å; R313-K361 PolarHBondContact NH2-O 2.88Å; K359-K361 PolarHBondContact O-N 2.95Å
362P91.3Very high91.9Very high95 Ų9585.7 Ų85.762%0.61741%0.41SS*.PPolyproline II helixtrans-49.1145.3178.2-29.235.1000112.7R313R313-P362 PolarHBondContact NH1-O 3.34Å; R313-P362 VanDerWaalsContact NH1-O 3.16Å
363M92.1Very high91.9Very high20 Ų2079.9 Ų79.910%0.09938%0.383CS..PPolyproline II helixtrans-81.4124.2174.8-160.373.476.800108.9R313 Y316 A343 L347 V365R313-M363 HydrophobicContact CG-SD 3.88Å; Y316-M363 HydrophobicContact CD1-CG 4.25Å; Y316-M363 HydrophobicContact CD2-CE 3.65Å; Y316-M363 HydrophobicContact CD2-CG 3.65Å; Y316-M363 HydrophobicContact CD2-SD 3.41Å; Y316-M363 WeakPolarHBondContact CD2-SD 3.19Å; Y316-M363 HydrophobicContact CE2-CE 3.57Å; Y316-M363 HydrophobicContact CE2-CG 4.25Å; Y316-M363 HydrophobicContact CE2-SD 4.01Å; Y316-M363 HydrophobicContact CG-CG 3.67Å; Y316-M363 HydrophobicContact CG-SD 4.01Å; A343-M363 HydrophobicContact CB-CB 4.31Å; L347-M363 HydrophobicContact CD1-CB 4.32Å; M363-V365 HydrophobicContact CB-CG2 4.41Å; M363-V365 HydrophobicContact CG-CG2 4.12Å; M363-V365 PolarHBondContact O-N 2.87Å
364E94.6Very high91.9Very high106 Ų10680.6 Ų80.650%0.49538%0.377SS..  trans-84.2109.9170.3-171.5177.7-17000107.7Y316 K317Y316-E364 CarbonylContact C-O 3.53Å; K317-E364 WeakPolarHBondContact CD-OE2 3.36Å; K317-E364 VanDerWaalsContact CE-OE2 3.32Å; K317-E364 WeakPolarHBondContact CE-OE2 3.41Å; K317-E364 HydrophobicContact CG-CG 4.37Å; K317-E364 PolarHBondContact N-O 2.71Å; K317-E364 IonicContact NZ-OE2 2.7Å; K317-E364 PolarHBondContact NZ-OE2 3.22Å
365V96.6Very high92.1Very high9 Ų980.7 Ų80.76%0.05537%0.374CS..  trans-107.1121.1178.5-176.60000108.7Y316 I319 Q336 L339 K340 A343 M363Y316-V365 HydrophobicContact CD1-CG2 3.95Å; Y316-V365 HydrophobicContact CG-CG2 4.46Å; Y316-V365 WeakPolarHBondContact O-CA 3.44Å; I319-V365 HydrophobicContact CD1-CG1 3.97Å; Q336-V365 HydrophobicContact CG-CG1 4.3Å; L339-V365 HydrophobicContact CB-CG1 4.23Å; L339-V365 HydrophobicContact CD2-CG1 3.7Å; L339-V365 HydrophobicContact CG-CG1 4.02Å; K340-V365 HydrophobicContact CB-CB 4.34Å; K340-V365 HydrophobicContact CB-CG2 4.42Å; A343-V365 HydrophobicContact CB-CG2 4.48Å; M363-V365 HydrophobicContact CB-CG2 4.41Å; M363-V365 HydrophobicContact CG-CG2 4.12Å; M363-V365 PolarHBondContact O-N 2.87Å
366Q96.8Very high92.4Very high44 Ų4469.9 Ų69.921%0.20633%0.333CS..  trans-137.4120.2-178.7172.1178.87.900110.2Q157 Y316 K317 I319 V368Q157-Q366 PolarHBondContact O-NE2 2.97Å; Y316-Q366 PolarHBondContact O-N 2.83Å; K317-Q366 WeakPolarHBondContact O-CB 3.35Å; I319-Q366 WeakPolarHBondContact CB-O 3.32Å; I319-Q366 PolarHBondContact N-O 2.7Å; Q366-V368 HydrophobicContact CG-CG2 4.48Å
367V97.4Very high93Very high4 Ų468.5 Ų68.52%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-100.4117.7173.7-178.90000108.7I319 L321 L335 Q336I319-V367 HydrophobicContact CB-CG2 4.07Å; I319-V367 HydrophobicContact CD1-CG2 4.02Å; I319-V367 HydrophobicContact CG2-CG1 4.4Å; I319-V367 HydrophobicContact CG2-CG2 4.09Å; I319-V367 CarbonylContact O-C 3.41Å; I319-V367 WeakPolarHBondContact O-CA 3.46Å; L321-V367 HydrophobicContact CD1-CG1 3.8Å; L321-V367 HydrophobicContact CD2-CG1 4.03Å; L321-V367 HydrophobicContact CG-CG1 3.81Å; L335-V367 HydrophobicContact CB-CG2 4.41Å; L335-V367 HydrophobicContact CD2-CG1 4.2Å; L335-V367 HydrophobicContact CD2-CG2 4.18Å; L335-V367 HydrophobicContact CG-CG2 4.21Å; Q336-V367 HydrophobicContact CB-CB 4.04Å; Q336-V367 HydrophobicContact CB-CG2 3.62Å; Q336-V367 HydrophobicContact CG-CG2 4.24Å
368V95.8Very high93.6Very high1 Ų157.9 Ų57.91%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-86.5119.3-177.4-175.50000109.2V158 I319 V320 Q366V158-V368 HydrophobicContact CG2-CG1 4.06Å; V158-V368 HydrophobicContact CG2-CG2 4.25Å; I319-V368 PolarHBondContact O-N 3.44Å; V320-V368 HydrophobicContact CG2-CB 4.28Å; V320-V368 HydrophobicContact CG2-CG2 4.46Å; Q366-V368 HydrophobicContact CG-CG2 4.48Å
369T94.1Very high94.1Very high52 Ų5253.7 Ų53.732%0.31926%0.256SS..  trans-108.5142.8168.945.40000108.6S155 L321S155-T369 PolarHBondContact OG-O 2.98Å; L321-T369 HydrophobicContact CD1-CG2 3.84Å
370H93.3Very high94.5Very high11 Ų1146 Ų465%0.05122%0.222CC..  trans-153.1158.6-177.865.996.3000111.7M372 Q373H370-M372 PolarHBondContact ND1-N 3.44Å; H370-M372 PolarHBondContact O-N 3.47Å; H370-Q373 PolarHBondContact CE1-N 3.23Å; H370-Q373 PolarHBondContact ND1-N 3.33Å; H370-Q373 WeakPolarHBondContact O-CB 3.33Å; H370-Q373 WeakPolarHBondContact O-CG 3.2Å; H370-Q373 PolarHBondContact O-N 2.94Å; H370-Q373 PolarHBondContact O-OE1 3.39Å; H370-Q373 VanDerWaalsContact O-OE1 3.05Å
371H91.4Very high94.9Very high184 Ų18444.1 Ų44.185%0.85221%0.21SC*.THydrogen-bonded Turntrans-65.3-26-173.3-63.9-63.4000113.7Q373H371-Q373 VanDerWaalsContact C-N 3.33Å; H371-Q373 PolarHBondContact O-N 2.78Å
372M92.8Very high95.3Very high29 Ų2936.8 Ų36.814%0.14318%0.178CC..THydrogen-bonded Turntrans-87.36.7-178.9-47.4-44.8-153.400114.2T25 H370 R374 Y375 A376 F379T25-M372 HydrophobicContact CG2-CE 3.11Å; T25-M372 HydrophobicContact CG2-SD 4.44Å; H370-M372 PolarHBondContact ND1-N 3.44Å; H370-M372 PolarHBondContact O-N 3.47Å; M372-R374 PolarHBondContact O-N 3.16Å; M372-R374 VanDerWaalsContact O-N 3.12Å; M372-Y375 HydrophobicContact CB-CE2 4.17Å; M372-Y375 CarbonylContact O-C 3.59Å; M372-Y375 PolarHBondContact O-N 3.42Å; M372-Y375 VanDerWaalsContact O-N 3.15Å; M372-Y375 HydrophobicContact SD-CE2 3.99Å; M372-Y375 PolarHBondContact SD-OH 2.67Å; M372-A376 VanDerWaalsContact O-CA 3.22Å; M372-A376 WeakPolarHBondContact O-CA 3.11Å; M372-A376 PolarHBondContact O-N 2.68Å; M372-F379 HydrophobicContact CB-CB 4.22Å; M372-F379 HydrophobicContact CB-CD1 3.85Å; M372-F379 HydrophobicContact CB-CE1 4.45Å; M372-F379 HydrophobicContact CB-CG 4Å; M372-F379 HydrophobicContact CE-CD2 4.04Å; M372-F379 HydrophobicContact CE-CE2 3.68Å; M372-F379 HydrophobicContact CE-CZ 3.99Å; M372-F379 HydrophobicContact CG-CD1 3.69Å; M372-F379 HydrophobicContact CG-CD2 4.19Å; M372-F379 HydrophobicContact CG-CE1 3.85Å; M372-F379 HydrophobicContact CG-CE2 4.32Å; M372-F379 HydrophobicContact CG-CG 3.87Å; M372-F379 HydrophobicContact CG-CZ 4.16Å
373Q93.4Very high95.5Very high16 Ų1634.6 Ų34.68%0.07516%0.16CC..G310 helixtrans-51.6-39.4-173.6-84.9176.2-94.500113.6L321 G323 M327 H370 H371 Y375 A376L321-Q373 HydrophobicContact CB-CG 4.44Å; G323-Q373 PolarHBondContact N-O 2.55Å; M327-Q373 HydrophobicContact SD-CB 3.4Å; M327-Q373 WeakPolarHBondContact SD-CB 3.16Å; H370-Q373 PolarHBondContact CE1-N 3.23Å; H370-Q373 PolarHBondContact ND1-N 3.33Å; H370-Q373 WeakPolarHBondContact O-CB 3.33Å; H370-Q373 WeakPolarHBondContact O-CG 3.2Å; H370-Q373 PolarHBondContact O-N 2.94Å; H370-Q373 PolarHBondContact O-OE1 3.39Å; H370-Q373 VanDerWaalsContact O-OE1 3.05Å; H371-Q373 VanDerWaalsContact C-N 3.33Å; H371-Q373 PolarHBondContact O-N 2.78Å; Q373-Y375 VanDerWaalsContact C-N 3.25Å; Q373-Y375 PolarHBondContact O-N 2.99Å; Q373-A376 PolarHBondContact O-N 3.48Å
374R93.9Very high95.6Very high149 Ų14934.1 Ų34.156%0.56216%0.158SC*.G310 helixtrans-57.7-36.9-177-176.8178-178.3-179.52113.1M327 M372M327-R374 HydrophobicContact CE-CB 4.36Å; M327-R374 HydrophobicContact CG-CB 4.22Å; M327-R374 HydrophobicContact SD-CB 4.07Å; M372-R374 PolarHBondContact O-N 3.16Å; M372-R374 VanDerWaalsContact O-N 3.12Å
375Y95.4Very high95.7Very high21 Ų2129 Ų298%0.08213%0.134CC..G310 helixtrans-130.835-177.649-102.3000110.4T25 E26 P27 M372 Q373 V377 W378 F379T25-Y375 VanDerWaalsContact O-CE2 3.31Å; T25-Y375 WeakPolarHBondContact O-CE2 3.22Å; E26-Y375 HydrophobicContact CG-CE1 4.5Å; E26-Y375 VanDerWaalsContact CG-OH 3.3Å; E26-Y375 WeakPolarHBondContact CG-OH 3.11Å; E26-Y375 PolarHBondContact OE1-OH 2.87Å; P27-Y375 HydrophobicContact CG-CG 4.49Å; M372-Y375 HydrophobicContact CB-CE2 4.17Å; M372-Y375 CarbonylContact O-C 3.59Å; M372-Y375 PolarHBondContact O-N 3.42Å; M372-Y375 VanDerWaalsContact O-N 3.15Å; M372-Y375 HydrophobicContact SD-CE2 3.99Å; M372-Y375 PolarHBondContact SD-OH 2.67Å; Q373-Y375 VanDerWaalsContact C-N 3.25Å; Q373-Y375 PolarHBondContact O-N 2.99Å; Y375-V377 VanDerWaalsContact C-N 3.27Å; Y375-V377 PolarHBondContact O-N 2.83Å; Y375-W378 PolarHBondContact O-N 3.17Å; Y375-F379 HydrophobicContact CD2-CB 3.87Å; Y375-F379 HydrophobicContact CE2-CB 4.11Å; Y375-F379 PolarHBondContact O-N 3.19Å
376A96.8Very high95.6Very high1 Ų131.5 Ų31.51%0.00815%0.152CC..Hα-helixtrans-54-43.9-172.600000112.2A148 A151 M372 Q373 F379 G380A148-A376 HydrophobicContact CB-CB 4.42Å; A151-A376 HydrophobicContact CB-CB 4.02Å; A151-A376 WeakPolarHBondContact CB-O 3.43Å; M372-A376 VanDerWaalsContact O-CA 3.22Å; M372-A376 WeakPolarHBondContact O-CA 3.11Å; M372-A376 PolarHBondContact O-N 2.68Å; Q373-A376 PolarHBondContact O-N 3.48Å; A376-F379 PolarHBondContact O-N 3.4Å; A376-G380 PolarHBondContact O-N 3.26Å
377V97Very high95.5Very high6 Ų631.2 Ų31.24%0.03615%0.153CC..Hα-helixtrans-54.4-56.8174.41770000111.2D11 T113 Q144 L147 Y375 F379 G380 G381D11-V377 HydrophobicContact CB-CG1 4.34Å; T113-V377 HydrophobicContact CG2-CG1 3.7Å; Q144-V377 HydrophobicContact CB-CG1 4.08Å; Q144-V377 HydrophobicContact CB-CG2 4.02Å; Q144-V377 HydrophobicContact CG-CG1 3.79Å; Q144-V377 HydrophobicContact CG-CG2 4.4Å; L147-V377 HydrophobicContact CB-CG1 4.37Å; L147-V377 WeakPolarHBondContact CB-O 3.22Å; L147-V377 HydrophobicContact CD1-CG1 3.94Å; L147-V377 WeakPolarHBondContact CD1-O 3.31Å; Y375-V377 VanDerWaalsContact C-N 3.27Å; Y375-V377 PolarHBondContact O-N 2.83Å; V377-F379 PolarHBondContact O-N 2.7Å; V377-G380 PolarHBondContact O-N 3.27Å; V377-G381 PolarHBondContact O-N 2.72Å
378W98.1Very high95.2Very high0 Ų035.9 Ų35.90%018%0.184CC..Hα-helixtrans-62.6-42.4-178.2-174.791.8000112V9 D11 K18 N24 E26 P27 Y375 G381 S382V9-W378 HydrophobicContact CB-CZ2 4.43Å; V9-W378 HydrophobicContact CG1-CG 4.29Å; V9-W378 PolarHBondContact O-NE1 3.06Å; D11-W378 HydrophobicContact CB-CB 4.1Å; K18-W378 HydrophobicContact CB-CB 4.28Å; K18-W378 HydrophobicContact CB-CG 4.11Å; K18-W378 VanDerWaalsContact O-CD1 3.29Å; N24-W378 HydrophobicContact CB-CH2 3.99Å; N24-W378 WeakPolarHBondContact O-CZ3 3.35Å; E26-W378 VanDerWaalsContact C-CH2 3.42Å; E26-W378 WeakPolarHBondContact O-CH2 3.39Å; E26-W378 WeakPolarHBondContact O-CZ3 3.23Å; P27-W378 HydrophobicContact CB-CD2 3.74Å; P27-W378 HydrophobicContact CB-CE3 4.08Å; P27-W378 HydrophobicContact CB-CG 4.18Å; P27-W378 HydrophobicContact CB-CH2 4.45Å; P27-W378 HydrophobicContact CB-CZ2 4.13Å; P27-W378 HydrophobicContact CB-CZ3 4.43Å; P27-W378 HydrophobicContact CG-CD2 4.34Å; P27-W378 HydrophobicContact CG-CE3 4.35Å; P27-W378 VanDerWaalsContact N-CZ3 3.25Å; Y375-W378 PolarHBondContact O-N 3.17Å; W378-G381 CarbonylContact O-C 3.48Å; W378-G381 PolarHBondContact O-N 3.3Å; W378-S382 PolarHBondContact O-N 3.11Å
379F97.8Very high95.1Very high22 Ų2238.5 Ų38.510%0.09620%0.196CC..Hα-helixtrans-65.2-41.8178.4174.7-101.6000112.3T25 A151 T154 M372 Y375 A376 V377 G381 S382 M383T25-F379 HydrophobicContact CG2-CE2 4.33Å; T25-F379 VanDerWaalsContact O-CD2 3.27Å; T25-F379 WeakPolarHBondContact O-CD2 3.48Å; A151-F379 HydrophobicContact CB-CD1 3.75Å; A151-F379 HydrophobicContact CB-CE1 4.49Å; T154-F379 HydrophobicContact CG2-CE1 3.49Å; T154-F379 VanDerWaalsContact CG2-CE1 3.49Å; T154-F379 HydrophobicContact CG2-CZ 3.71Å; M372-F379 HydrophobicContact CB-CB 4.22Å; M372-F379 HydrophobicContact CB-CD1 3.85Å; M372-F379 HydrophobicContact CB-CE1 4.45Å; M372-F379 HydrophobicContact CB-CG 4Å; M372-F379 HydrophobicContact CE-CD2 4.04Å; M372-F379 HydrophobicContact CE-CE2 3.68Å; M372-F379 HydrophobicContact CE-CZ 3.99Å; M372-F379 HydrophobicContact CG-CD1 3.69Å; M372-F379 HydrophobicContact CG-CD2 4.19Å; M372-F379 HydrophobicContact CG-CE1 3.85Å; M372-F379 HydrophobicContact CG-CE2 4.32Å; M372-F379 HydrophobicContact CG-CG 3.87Å; M372-F379 HydrophobicContact CG-CZ 4.16Å; Y375-F379 HydrophobicContact CD2-CB 3.87Å; Y375-F379 HydrophobicContact CE2-CB 4.11Å; Y375-F379 PolarHBondContact O-N 3.19Å; A376-F379 PolarHBondContact O-N 3.4Å; V377-F379 PolarHBondContact O-N 2.7Å; F379-G381 VanDerWaalsContact C-N 3.3Å; F379-G381 PolarHBondContact O-N 3.01Å; F379-S382 PolarHBondContact O-N 3.41Å; F379-M383 WeakPolarHBondContact O-CB 3.32Å; F379-M383 PolarHBondContact O-N 2.63Å
380G96.7Very high95.2Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-59.4-42.8172.500000111.6L147 A376 V377 M383 L384L147-G380 WeakPolarHBondContact O-CA 3.42Å; A376-G380 PolarHBondContact O-N 3.26Å; V377-G380 PolarHBondContact O-N 3.27Å; G380-M383 PolarHBondContact O-N 2.93Å; G380-L384 WeakPolarHBondContact O-CB 3.46Å; G380-L384 WeakPolarHBondContact O-CG 3.28Å; G380-L384 PolarHBondContact O-N 3.06Å
381G97.4Very high95.2Very high0 Ų038.5 Ų38.50%019%0.192CC..Hα-helixtrans-60.5-48.517300000112.8V377 W378 F379 M383 L384 A385V377-G381 PolarHBondContact O-N 2.72Å; W378-G381 CarbonylContact O-C 3.48Å; W378-G381 PolarHBondContact O-N 3.3Å; F379-G381 VanDerWaalsContact C-N 3.3Å; F379-G381 PolarHBondContact O-N 3.01Å; G381-M383 VanDerWaalsContact C-N 3.33Å; G381-M383 PolarHBondContact O-N 3.45Å; G381-L384 PolarHBondContact O-N 3.45Å; G381-A385 WeakPolarHBondContact O-CB 3.43Å; G381-A385 PolarHBondContact O-N 3.11Å
382S97.8Very high95.4Very high2 Ų237.2 Ų37.21%0.01419%0.186CC..Hα-helixtrans-58.4-43.5176.5178.20000112.3G23 N24 W378 F379 S386G23-S382 PolarHBondContact N-O 3.12Å; G23-S382 PolarHBondContact N-OG 3.12Å; N24-S382 PolarHBondContact N-OG 3.26Å; N24-S382 PolarHBondContact O-OG 3.4Å; W378-S382 PolarHBondContact O-N 3.11Å; F379-S382 PolarHBondContact O-N 3.41Å; S382-S386 PolarHBondContact O-N 3.44Å; S382-S386 PolarHBondContact O-OG 3.04Å
383M95.6Very high95.5Very high50 Ų5037.2 Ų37.225%0.24619%0.187CC..Hα-helixtrans-66.6-46.4178.5-173.6-176.267.900111.8A150 W153 F379 G380 G381 S386A150-M383 HydrophobicContact CB-CE 3.9Å; A150-M383 WeakPolarHBondContact O-CE 3.47Å; W153-M383 HydrophobicContact CD2-CE 4.43Å; W153-M383 HydrophobicContact CE3-CE 3.49Å; W153-M383 VanDerWaalsContact CE3-CE 3.49Å; W153-M383 HydrophobicContact CZ3-CE 3.83Å; F379-M383 WeakPolarHBondContact O-CB 3.32Å; F379-M383 PolarHBondContact O-N 2.63Å; G380-M383 PolarHBondContact O-N 2.93Å; G381-M383 VanDerWaalsContact C-N 3.33Å; G381-M383 PolarHBondContact O-N 3.45Å; M383-S386 WeakPolarHBondContact O-CB 3.32Å; M383-S386 PolarHBondContact O-N 2.79Å
384L95Very high95.6Very high9 Ų937.3 Ų37.35%0.04719%0.189CC..Hα-helixtrans-70-41.8-179.4-70.7-177000112L147 A150 W153 G380 G381 S386 T387 F414L147-L384 HydrophobicContact CD2-CD1 3.7Å; A150-L384 HydrophobicContact CB-CD1 4.07Å; A150-L384 HydrophobicContact CB-CD2 4.48Å; A150-L384 HydrophobicContact CB-CG 4.24Å; W153-L384 HydrophobicContact CZ3-CD2 4.24Å; G380-L384 WeakPolarHBondContact O-CB 3.46Å; G380-L384 WeakPolarHBondContact O-CG 3.28Å; G380-L384 PolarHBondContact O-N 3.06Å; G381-L384 PolarHBondContact O-N 3.45Å; L384-S386 PolarHBondContact O-N 3.04Å; L384-S386 VanDerWaalsContact O-N 3.16Å; L384-T387 PolarHBondContact O-N 3.14Å; L384-T387 VanDerWaalsContact O-N 3.09Å; L384-T387 PolarHBondContact O-OG1 2.86Å; L384-F414 HydrophobicContact CB-CE2 3.97Å; L384-F414 HydrophobicContact CB-CZ 3.74Å; L384-F414 HydrophobicContact CD1-CZ 4.49Å; L384-F414 HydrophobicContact CD2-CE2 4.27Å
385A96.4Very high95.8Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-67-13.8177.100000113.5P7 V9 A22 L111 G381 T387 F390P7-A385 HydrophobicContact CB-CB 4.13Å; P7-A385 HydrophobicContact CG-CB 4.39Å; P7-A385 WeakPolarHBondContact CG-O 3.42Å; V9-A385 HydrophobicContact CG2-CB 4.16Å; A22-A385 HydrophobicContact CB-CB 3.7Å; L111-A385 HydrophobicContact CB-CB 4.43Å; L111-A385 HydrophobicContact CD1-CB 4.02Å; G381-A385 WeakPolarHBondContact O-CB 3.43Å; G381-A385 PolarHBondContact O-N 3.11Å; A385-T387 VanDerWaalsContact C-N 3.32Å; A385-F390 HydrophobicContact CB-CD1 4.27Å; A385-F390 HydrophobicContact CB-CD2 4.06Å; A385-F390 HydrophobicContact CB-CE1 4.24Å; A385-F390 HydrophobicContact CB-CE2 4Å; A385-F390 HydrophobicContact CB-CG 4.18Å; A385-F390 HydrophobicContact CB-CZ 4.09Å
386S94.9Very high95.9Very high60 Ų6032.3 Ų32.342%0.4218%0.177SC..THydrogen-bonded Turntrans-82-8.3174-59.30000113.7G23 S382 M383 L384G23-S386 WeakPolarHBondContact CA-OG 3.4Å; G23-S386 PolarHBondContact N-OG 3.3Å; S382-S386 PolarHBondContact O-N 3.44Å; S382-S386 PolarHBondContact O-OG 3.04Å; M383-S386 WeakPolarHBondContact O-CB 3.32Å; M383-S386 PolarHBondContact O-N 2.79Å; L384-S386 PolarHBondContact O-N 3.04Å; L384-S386 VanDerWaalsContact O-N 3.16Å
387T93.8Very high95.9Very high39 Ų3934.7 Ų34.724%0.23919%0.187CC..SBendtrans-89.3152.1-177.474.90000111.4L384 A385 E389 F390L384-T387 PolarHBondContact O-N 3.14Å; L384-T387 VanDerWaalsContact O-N 3.09Å; L384-T387 PolarHBondContact O-OG1 2.86Å; A385-T387 VanDerWaalsContact C-N 3.32Å; T387-E389 PolarHBondContact O-N 3.02Å; T387-F390 WeakPolarHBondContact O-CB 3.44Å; T387-F390 PolarHBondContact O-N 3.47Å
388P92.5Very high95.9Very high102 Ų10240.5 Ų40.566%0.66221%0.212SC*.Hα-helixtrans-61.2-29.5173.7-24.434.8000113.6F390 F391P388-F390 VanDerWaalsContact C-N 3.25Å; P388-F390 PolarHBondContact O-N 3.48Å; P388-F391 PolarHBondContact O-N 3.45Å
389E93.8Very high95.9Very high55 Ų5543.4 Ų43.426%0.25723%0.228SC..Hα-helixtrans-61.5-32.9178-70.7171-16100112.2T387 F391 Q392 V393 F414 G415T387-E389 PolarHBondContact O-N 3.02Å; E389-F391 VanDerWaalsContact C-N 3.28Å; E389-F391 PolarHBondContact O-N 3.1Å; E389-Q392 WeakPolarHBondContact O-CB 3.39Å; E389-Q392 PolarHBondContact O-N 3.07Å; E389-V393 PolarHBondContact O-N 3.43Å; E389-F414 HydrophobicContact CB-CD2 3.81Å; E389-F414 HydrophobicContact CB-CE2 4.39Å; E389-G415 PolarHBondContact OE2-N 3.09Å
390F95.5Very high95.9Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-53.7-45.4178.2171.8-106.4000112.3P7 L111 Y140 A385 T387 P388 Q392 V393 C394 F414P7-F390 HydrophobicContact CB-CD1 4.46Å; P7-F390 HydrophobicContact CB-CE1 3.66Å; P7-F390 HydrophobicContact CB-CZ 4.13Å; P7-F390 HydrophobicContact CG-CD1 3.85Å; P7-F390 HydrophobicContact CG-CE1 3.45Å; P7-F390 VanDerWaalsContact CG-CE1 3.45Å; P7-F390 HydrophobicContact CG-CZ 4.38Å; L111-F390 HydrophobicContact CB-CE2 4.02Å; L111-F390 HydrophobicContact CB-CZ 4.17Å; L111-F390 HydrophobicContact CD1-CD2 4.48Å; L111-F390 HydrophobicContact CD1-CE2 3.96Å; L111-F390 HydrophobicContact CG-CE2 4.35Å; Y140-F390 HydrophobicContact CD1-CE2 4.41Å; Y140-F390 HydrophobicContact CG-CE2 4.2Å; A385-F390 HydrophobicContact CB-CD1 4.27Å; A385-F390 HydrophobicContact CB-CD2 4.06Å; A385-F390 HydrophobicContact CB-CE1 4.24Å; A385-F390 HydrophobicContact CB-CE2 4Å; A385-F390 HydrophobicContact CB-CG 4.18Å; A385-F390 HydrophobicContact CB-CZ 4.09Å; T387-F390 WeakPolarHBondContact O-CB 3.44Å; T387-F390 PolarHBondContact O-N 3.47Å; P388-F390 VanDerWaalsContact C-N 3.25Å; P388-F390 PolarHBondContact O-N 3.48Å; F390-Q392 PolarHBondContact O-N 3.34Å; F390-V393 VanDerWaalsContact O-CG2 3.32Å; F390-V393 WeakPolarHBondContact O-CG2 3.24Å; F390-V393 PolarHBondContact O-N 2.91Å; F390-C394 WeakPolarHBondContact CE1-SG 3.22Å; F390-C394 WeakPolarHBondContact CE2-SG 3.25Å; F390-C394 WeakPolarHBondContact CZ-SG 3.44Å; F390-C394 PolarHBondContact O-N 3.49Å; F390-C394 PolarHBondContact O-SG 2.96Å; F390-F414 HydrophobicContact CB-CE2 4.08Å; F390-F414 HydrophobicContact CB-CZ 3.99Å; F390-F414 AromaticContact CD2-CZ 3.94Å; F390-F414 HydrophobicContact CD2-CZ 3.94Å; F390-F414 HydrophobicContact CG-CZ 4.48Å
391F93.9Very high96Very high64 Ų6448 Ų4828%0.28125%0.253SS..Hα-helixtrans-71.3-17.3-179.5-60.7-71.6000113.5Q4 P7 P388 E389Q4-F391 HydrophobicContact CG-CE1 4.15Å; Q4-F391 HydrophobicContact CG-CE2 4.41Å; Q4-F391 HydrophobicContact CG-CZ 3.89Å; Q4-F391 VanDerWaalsContact NE2-CZ 3.27Å; P7-F391 HydrophobicContact CG-CE1 3.74Å; P7-F391 HydrophobicContact CG-CZ 3.53Å; P388-F391 PolarHBondContact O-N 3.45Å; E389-F391 VanDerWaalsContact C-N 3.28Å; E389-F391 PolarHBondContact O-N 3.1Å
392Q94Very high96Very high156 Ų15654.3 Ų54.373%0.72928%0.282SS*.Hα-helixtrans-82.8-28.5175.7-59.2177.310.400112E389 F390E389-Q392 WeakPolarHBondContact O-CB 3.39Å; E389-Q392 PolarHBondContact O-N 3.07Å; F390-Q392 PolarHBondContact O-N 3.34Å
393V95.6Very high96Very high29 Ų2959.3 Ų59.318%0.17631%0.308CS..Hα-helixtrans-99.1-12.6-179.2-58.40000113.6Y140 E389 F390 P412 F414Y140-V393 HydrophobicContact CD2-CG2 3.96Å; Y140-V393 HydrophobicContact CE2-CB 4.4Å; Y140-V393 HydrophobicContact CE2-CG2 3.85Å; E389-V393 PolarHBondContact O-N 3.43Å; F390-V393 VanDerWaalsContact O-CG2 3.32Å; F390-V393 WeakPolarHBondContact O-CG2 3.24Å; F390-V393 PolarHBondContact O-N 2.91Å; V393-P412 HydrophobicContact CG1-CB 4.41Å; V393-F414 HydrophobicContact CG1-CB 4.33Å; V393-F414 HydrophobicContact CG2-CD1 3.59Å; V393-F414 HydrophobicContact CG2-CE1 3.69Å; V393-F414 HydrophobicContact CG2-CG 4.13Å; V393-F414 HydrophobicContact CG2-CZ 4.29Å
394C95.3Very high96.1Very high18 Ų1857.8 Ų57.812%0.12231%0.305CS..SBendtrans-63.7138.3172.4-78.70000110.8F390F390-C394 WeakPolarHBondContact CE1-SG 3.22Å; F390-C394 WeakPolarHBondContact CE2-SG 3.25Å; F390-C394 WeakPolarHBondContact CZ-SG 3.44Å; F390-C394 PolarHBondContact O-N 3.49Å; F390-C394 PolarHBondContact O-SG 2.96Å
395H97.9Very high96.1Very high29 Ų2959.7 Ų59.713%0.13432%0.318CS..EExtended strand (participates in β ladder)trans-75127.7168.7-62.1-59.7000108.6F131 G138 L139 I407 H410 N411F131-H395 WeakPolarHBondContact CZ-O 3.25Å; G138-H395 CarbonylContact C-O 3.38Å; G138-H395 WeakPolarHBondContact CA-O 3.48Å; L139-H395 PolarHBondContact N-O 3.47Å; L139-H395 PolarHBondContact O-N 3.37Å; H395-I407 HydrophobicContact CB-CD1 3.88Å; H395-I407 HydrophobicContact CB-CG1 4.27Å; H395-I407 PolarHBondContact CE1-O 3.47Å; H395-I407 PolarHBondContact NE2-O 2.88Å; H395-I407 VanDerWaalsContact NE2-O 3.11Å; H395-H410 PolarHBondContact CE1-O 3.13Å; H395-H410 PolarHBondContact NE2-O 3.2Å; H395-N411 PolarHBondContact CD2-OD1 3.22Å; H395-N411 PolarHBondContact NE2-OD1 2.68Å
396S97.9Very high96.2Very high37 Ų3762.7 Ų62.726%0.25934%0.339SS..EExtended strand (participates in β ladder)trans-86154.5178.778.40000111.4P137 K398 D399 Y400P137-S396 WeakPolarHBondContact O-CA 3.41Å; S396-K398 PolarHBondContact O-N 2.88Å; S396-D399 WeakPolarHBondContact CB-OD2 3.31Å; S396-D399 PolarHBondContact O-N 3.06Å; S396-D399 VanDerWaalsContact O-N 3.11Å; S396-D399 PolarHBondContact OG-N 3.36Å; S396-D399 VanDerWaalsContact OG-N 3.12Å; S396-D399 PolarHBondContact OG-OD2 3Å; S396-Y400 PolarHBondContact O-N 3.07Å
397K97.4Very high96.3Very high50 Ų5061.1 Ų61.122%0.21733%0.325CS..Hα-helixtrans-56.5-37.4172.7-178.9163.8176.4137.90112.2F131 N135 V136 P137 D399 Y400 D401F131-K397 HydrophobicContact CD1-CB 3.79Å; F131-K397 HydrophobicContact CD1-CG 4.06Å; F131-K397 HydrophobicContact CE1-CB 3.91Å; F131-K397 PolarHBondContact O-NZ 3.11Å; N135-K397 PolarHBondContact OD1-NZ 3.38Å; V136-K397 WeakPolarHBondContact O-CB 3.4Å; P137-K397 PolarHBondContact O-N 3.29Å; K397-D399 PolarHBondContact O-N 3.28Å; K397-Y400 WeakPolarHBondContact O-CB 3.46Å; K397-Y400 PolarHBondContact O-N 3.11Å; K397-D401 VanDerWaalsContact O-CG 3.26Å; K397-D401 PolarHBondContact O-N 3.26Å
398K97.6Very high96.5Very high128 Ų12859.2 Ų59.256%0.55731%0.314SS*.Hα-helixtrans-59.9-46.8176.2-177.1-171.7170.6-167.70111.6S396 Y400 D401 E402S396-K398 PolarHBondContact O-N 2.88Å; K398-Y400 VanDerWaalsContact C-N 3.3Å; K398-Y400 PolarHBondContact O-N 3.16Å; K398-D401 PolarHBondContact O-N 2.92Å; K398-E402 WeakPolarHBondContact CE-OE1 3.31Å; K398-E402 IonicContact NZ-OE1 3.43Å; K398-E402 WeakPolarHBondContact O-CB 3.25Å; K398-E402 WeakPolarHBondContact O-CG 3.37Å; K398-E402 PolarHBondContact O-N 3.3Å
399D97.5Very high96.7Very high62 Ų6259 Ų5933%0.33230%0.3SS..Hα-helixtrans-67-35.9178.9-58.5-45.6000111.1S396 K397 E402 I403 I407S396-D399 WeakPolarHBondContact CB-OD2 3.31Å; S396-D399 PolarHBondContact O-N 3.06Å; S396-D399 VanDerWaalsContact O-N 3.11Å; S396-D399 PolarHBondContact OG-N 3.36Å; S396-D399 VanDerWaalsContact OG-N 3.12Å; S396-D399 PolarHBondContact OG-OD2 3Å; K397-D399 PolarHBondContact O-N 3.28Å; D399-E402 PolarHBondContact O-N 3.11Å; D399-I403 HydrophobicContact CB-CD1 4.36Å; D399-I403 VanDerWaalsContact O-CB 3.29Å; D399-I403 WeakPolarHBondContact O-CB 3.39Å; D399-I403 PolarHBondContact O-N 3.35Å; D399-I407 HydrophobicContact CB-CD1 3.8Å
400Y98.3Very high96.7Very high10 Ų1061.7 Ų61.74%0.03931%0.312CS..Hα-helixtrans-60.8-46.9173.2-179.6-88.7000111.6A127 E128 F131 E132 S396 K397 K398 E402 G404 P405A127-Y400 HydrophobicContact CB-CD2 4.42Å; A127-Y400 HydrophobicContact CB-CE2 3.92Å; E128-Y400 WeakPolarHBondContact CA-OH 3.37Å; F131-Y400 HydrophobicContact CB-CD1 3.77Å; F131-Y400 HydrophobicContact CB-CD2 4.36Å; F131-Y400 HydrophobicContact CB-CE1 3.89Å; F131-Y400 HydrophobicContact CB-CE2 4.43Å; F131-Y400 HydrophobicContact CB-CG 4.03Å; F131-Y400 HydrophobicContact CD2-CD1 4.16Å; F131-Y400 AromaticContact CD2-CD2 3.3Å; F131-Y400 HydrophobicContact CD2-CD2 3.3Å; F131-Y400 AromaticContact CD2-CE2 3.78Å; F131-Y400 HydrophobicContact CD2-CE2 3.78Å; F131-Y400 AromaticContact CD2-CG 3.52Å; F131-Y400 HydrophobicContact CD2-CG 3.52Å; F131-Y400 AromaticContact CE2-CD2 3.79Å; F131-Y400 HydrophobicContact CE2-CD2 3.79Å; F131-Y400 HydrophobicContact CE2-CG 4.07Å; F131-Y400 HydrophobicContact CG-CD1 4.07Å; F131-Y400 HydrophobicContact CG-CD2 4.05Å; F131-Y400 HydrophobicContact CG-CE2 4.5Å; F131-Y400 AromaticContact CG-CG 3.82Å; F131-Y400 HydrophobicContact CG-CG 3.82Å; E132-Y400 HydrophobicContact CG-CE1 3.94Å; E132-Y400 PolarHBondContact OE1-OH 2.94Å; S396-Y400 PolarHBondContact O-N 3.07Å; K397-Y400 WeakPolarHBondContact O-CB 3.46Å; K397-Y400 PolarHBondContact O-N 3.11Å; K398-Y400 VanDerWaalsContact C-N 3.3Å; K398-Y400 PolarHBondContact O-N 3.16Å; Y400-E402 PolarHBondContact O-N 3.09Å; Y400-G404 WeakPolarHBondContact O-CA 3.47Å; Y400-G404 PolarHBondContact O-N 3.22Å; Y400-P405 HydrophobicContact CD2-CB 4.5Å; Y400-P405 HydrophobicContact CE2-CB 3.65Å
401D97.8Very high96.7Very high109 Ų10962.5 Ų62.558%0.58332%0.317SS*.Hα-helixtrans-67.9-34.6179.8-65.9-22.8000112.4K397 K398K397-D401 VanDerWaalsContact O-CG 3.26Å; K397-D401 PolarHBondContact O-N 3.26Å; K398-D401 PolarHBondContact O-N 2.92Å
402E97.8Very high96.6Very high132 Ų13261.7 Ų61.762%0.61732%0.318SS*.Hα-helixtrans-83.7-37.7-177.3-72.3-179.3-177.400113.6K398 D399 Y400K398-E402 WeakPolarHBondContact CE-OE1 3.31Å; K398-E402 IonicContact NZ-OE1 3.43Å; K398-E402 WeakPolarHBondContact O-CB 3.25Å; K398-E402 WeakPolarHBondContact O-CG 3.37Å; K398-E402 PolarHBondContact O-N 3.3Å; D399-E402 PolarHBondContact O-N 3.11Å; Y400-E402 PolarHBondContact O-N 3.09Å
403I97.5Very high96.5Very high106 Ų10656.2 Ų56.254%0.54430%0.295SS..Hα-helixtrans-107.2-28.4-172.9-54.1170.3000111.5D399 I407D399-I403 HydrophobicContact CB-CD1 4.36Å; D399-I403 VanDerWaalsContact O-CB 3.29Å; D399-I403 WeakPolarHBondContact O-CB 3.39Å; D399-I403 PolarHBondContact O-N 3.35Å; I403-I407 HydrophobicContact CB-CG2 3.72Å; I403-I407 HydrophobicContact CD1-CG2 4.06Å; I403-I407 HydrophobicContact CG1-CG2 4.5Å; I403-I407 HydrophobicContact CG2-CG2 3.45Å; I403-I407 VanDerWaalsContact CG2-CG2 3.45Å
404G96.8Very high96.3Very high19 Ų1955.8 Ų55.820%0.19629%0.291CS..  trans96.5178.3-177.400000114Y400 S406 I407Y400-G404 WeakPolarHBondContact O-CA 3.47Å; Y400-G404 PolarHBondContact O-N 3.22Å; G404-S406 PolarHBondContact O-N 2.92Å; G404-I407 PolarHBondContact O-N 3.27Å
405P97Very high95.6Very high49 Ų4955.7 Ų55.732%0.31829%0.292SS..G310 helixtrans-62.9-18.4-173.325.1-35.8000114.2E124 Y400 I407 C408E124-P405 HydrophobicContact CB-CB 4.09Å; E124-P405 HydrophobicContact CG-CB 4.03Å; Y400-P405 HydrophobicContact CD2-CB 4.5Å; Y400-P405 HydrophobicContact CE2-CB 3.65Å; P405-I407 PolarHBondContact O-N 3.05Å; P405-C408 WeakPolarHBondContact O-CB 3.43Å; P405-C408 PolarHBondContact O-N 3.08Å
406S97.3Very high94.4Very high62 Ų6257.6 Ų57.643%0.43430%0.303SS..G310 helixtrans-57.3-24.9-178.569.90000114.3G404 C408 R409G404-S406 PolarHBondContact O-N 2.92Å; S406-C408 PolarHBondContact O-N 3.48Å; S406-R409 WeakPolarHBondContact O-CB 3.22Å; S406-R409 WeakPolarHBondContact O-CG 3.33Å; S406-R409 PolarHBondContact O-N 3.31Å
407I97.4Very high92.3Very high27 Ų2764.4 Ų64.414%0.13833%0.333CS..G310 helixtrans-62.1-32.9175.868.7179.6000111.9H395 D399 I403 G404 P405 R409H395-I407 HydrophobicContact CB-CD1 3.88Å; H395-I407 HydrophobicContact CB-CG1 4.27Å; H395-I407 PolarHBondContact CE1-O 3.47Å; H395-I407 PolarHBondContact NE2-O 2.88Å; H395-I407 VanDerWaalsContact NE2-O 3.11Å; D399-I407 HydrophobicContact CB-CD1 3.8Å; I403-I407 HydrophobicContact CB-CG2 3.72Å; I403-I407 HydrophobicContact CD1-CG2 4.06Å; I403-I407 HydrophobicContact CG1-CG2 4.5Å; I403-I407 HydrophobicContact CG2-CG2 3.45Å; I403-I407 VanDerWaalsContact CG2-CG2 3.45Å; G404-I407 PolarHBondContact O-N 3.27Å; P405-I407 PolarHBondContact O-N 3.05Å; I407-R409 PolarHBondContact O-N 3.35Å
408C97.1Very high89.5Confident0 Ų069.5 Ų69.50%038%0.375CS..G310 helixtrans-76.5-8.6-177.9-66.30000113R123 A127 P405 S406 H410 N411R123-C408 VanDerWaalsContact CD-O 3.31Å; R123-C408 WeakPolarHBondContact CD-O 3.41Å; A127-C408 HydrophobicContact CB-CB 3.78Å; A127-C408 VanDerWaalsContact CB-SG 3.53Å; P405-C408 WeakPolarHBondContact O-CB 3.43Å; P405-C408 PolarHBondContact O-N 3.08Å; S406-C408 PolarHBondContact O-N 3.48Å; C408-H410 PolarHBondContact O-N 2.99Å; C408-N411 PolarHBondContact O-ND2 3.36Å; C408-N411 VanDerWaalsContact O-ND2 3.1Å
409R96.9Very high89.1Confident96 Ų9666.6 Ų66.636%0.36237%0.366SS..G310 helixtrans-63.1-27.7176.4-68.3-174.6175.3-123.5-12.2112.5P120 E121 R123 E124 S406 I407P120-R409 HydrophobicContact CB-CB 4.25Å; P120-R409 HydrophobicContact CB-CG 3.89Å; E121-R409 IonicContact OE1-CZ 3.5Å; E121-R409 IonicContact OE1-NH1 2.82Å; E121-R409 PolarHBondContact OE1-NH1 3Å; E121-R409 IonicContact OE1-NH2 3.39Å; R123-R409 PolarHBondContact NH1-O 3Å; E124-R409 VanDerWaalsContact CD-NE 3.34Å; E124-R409 HydrophobicContact CG-CG 4.14Å; E124-R409 IonicContact OE1-CZ 3.3Å; E124-R409 VanDerWaalsContact OE1-CZ 3.29Å; E124-R409 IonicContact OE1-NE 3.23Å; E124-R409 PolarHBondContact OE1-NE 3.46Å; E124-R409 IonicContact OE1-NH2 2.77Å; E124-R409 PolarHBondContact OE1-NH2 3.44Å; E124-R409 VanDerWaalsContact OE1-NH2 3.08Å; E124-R409 IonicContact OE2-CZ 2.77Å; E124-R409 IonicContact OE2-NE 2.85Å; E124-R409 IonicContact OE2-NH2 2.87Å; E124-R409 PolarHBondContact OE2-NH2 3.1Å; S406-R409 WeakPolarHBondContact O-CB 3.22Å; S406-R409 WeakPolarHBondContact O-CG 3.33Å; S406-R409 PolarHBondContact O-N 3.31Å; I407-R409 PolarHBondContact O-N 3.35Å
410H94.6Very high88.7Confident112 Ų11266.8 Ų66.852%0.51937%0.368SS..  trans-129.4126.9179.3-178.968.2000110.9H395 C408H395-H410 PolarHBondContact CE1-O 3.13Å; H395-H410 PolarHBondContact NE2-O 3.2Å; C408-H410 PolarHBondContact O-N 2.99Å
411N94.4Very high88.2Confident18 Ų1870 Ų7010%0.09639%0.386CS..  trans-117.5114.1178.9-66-89.9000108Y140 I141 H395 C408 V413Y140-N411 HydrophobicContact CD2-CB 4.18Å; Y140-N411 HydrophobicContact CE2-CB 3.78Å; I141-N411 PolarHBondContact N-OD1 2.86Å; I141-N411 VanDerWaalsContact N-OD1 3.13Å; I141-N411 VanDerWaalsContact O-CB 3.24Å; I141-N411 WeakPolarHBondContact O-CB 3.3Å; I141-N411 VanDerWaalsContact O-CG 3.23Å; I141-N411 PolarHBondContact O-ND2 3.39Å; H395-N411 PolarHBondContact CD2-OD1 3.22Å; H395-N411 PolarHBondContact NE2-OD1 2.68Å; C408-N411 PolarHBondContact O-ND2 3.36Å; C408-N411 VanDerWaalsContact O-ND2 3.1Å; N411-V413 PolarHBondContact O-N 3.37Å
412P93Very high87.6Confident47 Ų4767.7 Ų67.731%0.30537%0.374SS..  trans-64.2131.7-175.5-22.733.2000112.5Y140 V393Y140-P412 WeakPolarHBondContact CE2-O 3.23Å; Y140-P412 PolarHBondContact OH-O 3.19Å; V393-P412 HydrophobicContact CG1-CB 4.41Å
413V91.3Very high87Confident41 Ų4163.7 Ų63.725%0.24836%0.359CS..  trans-74.5140.9175.6-177.20000110.7V146 L163 G183 N411V146-V413 HydrophobicContact CG1-CG1 4.11Å; L163-V413 HydrophobicContact CD1-CG1 3.42Å; L163-V413 VanDerWaalsContact CD1-CG1 3.42Å; G183-V413 WeakPolarHBondContact O-CG2 3.27Å; N411-V413 PolarHBondContact O-N 3.37Å
414F91.4Very high86.3Confident20 Ų2060.9 Ų60.99%0.08835%0.347CS..  trans-143.2176.3-177.769.4-77.8000112.7Y140 L384 E389 F390 V393Y140-F414 HydrophobicContact CE1-CE1 4.04Å; Y140-F414 HydrophobicContact CE2-CD1 4.36Å; Y140-F414 HydrophobicContact CE2-CE1 4.09Å; Y140-F414 AromaticContact CZ-CE1 3.74Å; L384-F414 HydrophobicContact CB-CE2 3.97Å; L384-F414 HydrophobicContact CB-CZ 3.74Å; L384-F414 HydrophobicContact CD1-CZ 4.49Å; L384-F414 HydrophobicContact CD2-CE2 4.27Å; E389-F414 HydrophobicContact CB-CD2 3.81Å; E389-F414 HydrophobicContact CB-CE2 4.39Å; F390-F414 HydrophobicContact CB-CE2 4.08Å; F390-F414 HydrophobicContact CB-CZ 3.99Å; F390-F414 AromaticContact CD2-CZ 3.94Å; F390-F414 HydrophobicContact CD2-CZ 3.94Å; F390-F414 HydrophobicContact CG-CZ 4.48Å; V393-F414 HydrophobicContact CG1-CB 4.33Å; V393-F414 HydrophobicContact CG2-CD1 3.59Å; V393-F414 HydrophobicContact CG2-CE1 3.69Å; V393-F414 HydrophobicContact CG2-CG 4.13Å; V393-F414 HydrophobicContact CG2-CZ 4.29Å
415G80.4Confident85.5Confident15 Ų1563.9 Ų63.916%0.15536%0.358CS..SBendtrans97.21.2173.100000117.7W153 E389W153-G415 WeakPolarHBondContact CH2-O 3.45Å; E389-G415 PolarHBondContact OE2-N 3.09Å
416I73.9Confident84.6Confident69 Ų6965 Ų6535%0.35436%0.361SS..SBendtrans-108.2-32.6172.1-45.7175000112.5W153 L163 S418W153-I416 HydrophobicContact CH2-CG1 4.4Å; W153-I416 HydrophobicContact CZ2-CG1 4.21Å; L163-I416 HydrophobicContact CB-CD1 3.56Å; L163-I416 HydrophobicContact CB-CG1 4.42Å; L163-I416 HydrophobicContact CD1-CD1 3.59Å; L163-I416 HydrophobicContact CD1-CG1 3.71Å; L163-I416 HydrophobicContact CG-CD1 3.36Å; L163-I416 HydrophobicContact CG-CG1 3.67Å; I416-S418 PolarHBondContact O-N 3.29Å
417M52.6Low83.6Confident180 Ų18065.3 Ų65.389%0.88736%0.355SS*.  trans-93.173.6-174.2-72.3-168.2-77.800111.1
418S39.9Very low82.3Confident158 Ų15868.7 Ų68.7100%1.10537%0.374SS*.  trans-1330164.371.10000110.9I416I416-S418 PolarHBondContact O-N 3.29Å

Retrieved 418 of 418 residues in 220.3 ms (Link to these results)

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