A0A087WRA1_MOUSE Loading...

ARP3 actin-related protein 3

AlphaFold DB , UniProt , Accession A0A087WRA1, Species MOUSE (Mus musculus, Mouse), Gene Actr3, Length 216 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
1M41.8Very low81.5Confident241 Ų24177.6 Ų77.6100%1.18746%0.457SS*.  0114.40-66.3-179.1-166.200106.1G3M1-G3 PolarHBondContact O-N 3.13Å
2A45.6Very low82.7Confident105 Ų10573 Ų7387%0.86843%0.431SS*.PPolyproline II helixtrans-57.3124.2169.900000107.1R4A2-R4 PolarHBondContact O-N 3.47Å
3G58.9Low83.5Confident69 Ų6968.6 Ų68.671%0.71141%0.411SS*.PPolyproline II helixtrans-62.2121.8-177.300000109.1M1 L5M1-G3 PolarHBondContact O-N 3.13Å; G3-L5 PolarHBondContact O-N 3.12Å
4R74Confident84.3Confident176 Ų17664.5 Ų64.566%0.66439%0.386SS*.PPolyproline II helixtrans-60.2131.9175.3-151.2175.5-172.9137.4-47.4108.2A2 Y109A2-R4 PolarHBondContact O-N 3.47Å; R4-Y109 VanDerWaalsContact CZ-CE2 3.48Å; R4-Y109 VanDerWaalsContact CZ-OH 3.23Å; R4-Y109 PolarHBondContact NH2-OH 3.46Å
5L92.4Very high85Confident83 Ų8360.5 Ų60.544%0.43536%0.364SS..PPolyproline II helixtrans-61.5154.2176.6-65.3-174.9000110.5G3 D107 H108G3-L5 PolarHBondContact O-N 3.12Å; L5-D107 HydrophobicContact CD1-CB 3.71Å; L5-H108 VanDerWaalsContact CD1-NE2 3.3Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.37Å
6P95.2Very high85.7Confident63 Ų6364.8 Ų64.841%0.40937%0.372SS..PPolyproline II helixtrans-61.4142.3-178.726.1-35.4000111.1Y21 H108P6-Y21 HydrophobicContact CB-CD1 4.49Å; P6-Y21 HydrophobicContact CG-CD1 4.02Å; P6-Y21 HydrophobicContact CG-CG 4.29Å; P6-H108 PolarHBondContact O-ND1 3.48Å
7A96.8Very high86.5Confident31 Ų3160.9 Ų60.926%0.25635%0.351SS..PPolyproline II helixtrans-64.4141.9177.500000111.5Y21 A22 Y109A7-Y21 WeakPolarHBondContact O-CA 3.46Å; A7-A22 HydrophobicContact CB-CB 4.16Å; A7-A22 WeakPolarHBondContact O-CB 3.46Å; A7-A22 PolarHBondContact O-N 3.06Å; A7-Y109 CarbonylContact C-O 3.56Å; A7-Y109 WeakPolarHBondContact CA-O 3.21Å; A7-Y109 WeakPolarHBondContact CB-O 3.37Å
8C97.9Very high87.1Confident0 Ų061.9 Ų61.90%035%0.35CS..EExtended strand (participates in β ladder)trans-79.1129.8168.4-64.50000109.1Y21 L101 Y109 F110 L111C8-Y21 VanDerWaalsContact SG-CE1 3.54Å; C8-L101 HydrophobicContact CB-CD1 4.04Å; C8-Y109 PolarHBondContact N-O 2.97Å; C8-F110 HydrophobicContact CB-CD1 3.58Å; C8-F110 HydrophobicContact CB-CD2 4.38Å; C8-F110 HydrophobicContact CB-CE1 3.43Å; C8-F110 VanDerWaalsContact CB-CE1 3.43Å; C8-F110 HydrophobicContact CB-CE2 4.26Å; C8-F110 HydrophobicContact CB-CG 4.07Å; C8-F110 HydrophobicContact CB-CZ 3.8Å; C8-F110 CarbonylContact O-C 3.54Å; C8-F110 WeakPolarHBondContact O-CA 3.07Å; C8-L111 PolarHBondContact O-N 2.78Å
9V98.3Very high87.7Confident49 Ų4958.7 Ų58.730%0.29733%0.332SS..EExtended strand (participates in β ladder)trans-112.8125.1176.5-178.40000107.9L19 G20 A22 L111V9-L19 VanDerWaalsContact O-CA 3.26Å; V9-L19 WeakPolarHBondContact O-CA 3.42Å; V9-G20 PolarHBondContact N-O 2.87Å; V9-G20 PolarHBondContact O-N 3.18Å; V9-A22 HydrophobicContact CG2-CB 4.13Å; V9-L111 WeakPolarHBondContact CA-O 3.36Å; V9-L111 HydrophobicContact CG1-CD2 4.11Å; V9-L111 HydrophobicContact CG2-CB 4.36Å
10V98.1Very high88.2Confident0 Ų056.1 Ų56.10%032%0.318CS..EExtended strand (participates in β ladder)trans-132.8118.1178.8-170.50000109.5T17 L19 M93 V96 L101 L111 L112 T113V10-T17 HydrophobicContact CG1-CG2 3.87Å; V10-L19 HydrophobicContact CG1-CB 4.32Å; V10-L19 HydrophobicContact CG2-CB 4.26Å; V10-M93 HydrophobicContact CG1-CE 4.48Å; V10-M93 HydrophobicContact CG1-SD 4.49Å; V10-V96 HydrophobicContact CG1-CG1 4.2Å; V10-V96 HydrophobicContact CG2-CG1 4.26Å; V10-L101 HydrophobicContact CG2-CD1 4.25Å; V10-L111 PolarHBondContact N-O 3.01Å; V10-L112 HydrophobicContact CB-CD2 3.65Å; V10-L112 HydrophobicContact CG1-CD2 4.49Å; V10-L112 HydrophobicContact CG2-CD2 4.09Å; V10-L112 WeakPolarHBondContact O-CA 3.23Å; V10-T113 PolarHBondContact O-N 2.65Å
11D97.3Very high88.6Confident37 Ų3755.5 Ų55.520%0.19831%0.311CS..EExtended strand (participates in β ladder)trans-107.7102.6173.416637.4000109.5G13 T17 K18 T113 Q144D11-G13 PolarHBondContact O-N 3.16Å; D11-T17 CarbonylContact O-C 3.41Å; D11-T17 VanDerWaalsContact O-CA 3.26Å; D11-T17 WeakPolarHBondContact O-CA 3.47Å; D11-K18 HydrophobicContact CB-CB 4.39Å; D11-K18 PolarHBondContact N-O 2.85Å; D11-K18 PolarHBondContact O-N 3.16Å; D11-K18 IonicContact OD2-NZ 2.77Å; D11-K18 PolarHBondContact OD2-NZ 2.86Å; D11-T113 VanDerWaalsContact CA-OG1 3.29Å; D11-T113 WeakPolarHBondContact CA-OG1 3.49Å; D11-T113 HydrophobicContact CB-CG2 3.99Å; D11-T113 PolarHBondContact OD1-OG1 3.35Å; D11-Q144 PolarHBondContact OD1-NE2 3.06Å; D11-Q144 VanDerWaalsContact OD1-NE2 3.14Å
12C95.5Very high91.2Very high22 Ų2246.2 Ų46.215%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-89.7100.9-178.4-66.40000110.6I78 M89C12-I78 HydrophobicContact CB-CD1 3.69Å; C12-M89 HydrophobicContact CB-CE 4.23Å
13G94.2Very high93.5Very high16 Ų1645.2 Ų45.217%0.16527%0.273CS..  trans-93.2168.5174.800000113.3D11 Y16 S33D11-G13 PolarHBondContact O-N 3.16Å; G13-Y16 VanDerWaalsContact CA-O 3.27Å; G13-Y16 WeakPolarHBondContact CA-O 3.3Å; G13-Y16 PolarHBondContact N-O 3.15Å; G13-S33 WeakPolarHBondContact O-CB 3.48Å; G13-S33 PolarHBondContact O-OG 3.12Å
14T94.4Very high95.2Very high11 Ų1146.1 Ų46.17%0.06726%0.261CS..SBendtrans-65.8-35.3174-58.90000113.4G81T14-G81 PolarHBondContact OG1-N 2.99Å
15G94.6Very high96Very high5 Ų544.7 Ų44.75%0.05227%0.272CS..SBendtrans-99.7-43.617900000112.9P32 S33G15-P32 WeakPolarHBondContact O-CA 3.32Å; G15-S33 PolarHBondContact O-N 2.86Å
16Y96.9Very high96.1Very high128 Ų12847.7 Ų47.750%0.50228%0.284SS..EExtended strand (participates in β ladder)trans-137.5140.4-174.7-67.6-89.5000111.9G13 I30 I31 P32 S33G13-Y16 VanDerWaalsContact CA-O 3.27Å; G13-Y16 WeakPolarHBondContact CA-O 3.3Å; G13-Y16 PolarHBondContact N-O 3.15Å; Y16-I30 HydrophobicContact CD1-CG2 4.06Å; Y16-I30 HydrophobicContact CG-CG2 4.37Å; Y16-I31 CarbonylContact C-O 3.59Å; Y16-I31 VanDerWaalsContact CA-O 3.26Å; Y16-I31 WeakPolarHBondContact CA-O 3.32Å; Y16-P32 HydrophobicContact CD1-CG 4.48Å; Y16-P32 HydrophobicContact CE1-CG 4.09Å; Y16-S33 VanDerWaalsContact CA-OG 3.29Å; Y16-S33 WeakPolarHBondContact CA-OG 3.22Å; Y16-S33 PolarHBondContact N-OG 3.16Å; Y16-S33 PolarHBondContact O-OG 3.24Å
17T97.9Very high96.1Very high0 Ų047.4 Ų47.40%028%0.282CS..EExtended strand (participates in β ladder)trans-101.4128.6169.7-66.10000108.7V10 D11 L19 I30 I31 S33 F92V10-T17 HydrophobicContact CG1-CG2 3.87Å; D11-T17 CarbonylContact O-C 3.41Å; D11-T17 VanDerWaalsContact O-CA 3.26Å; D11-T17 WeakPolarHBondContact O-CA 3.47Å; T17-L19 HydrophobicContact CG2-CD2 4.05Å; T17-I30 WeakPolarHBondContact O-CA 3.49Å; T17-I31 PolarHBondContact N-O 2.81Å; T17-I31 PolarHBondContact O-N 2.85Å; T17-S33 PolarHBondContact N-OG 3.22Å; T17-S33 PolarHBondContact OG1-OG 3.39Å; T17-F92 HydrophobicContact CG2-CE1 4.06Å; T17-F92 HydrophobicContact CG2-CZ 4.33Å
18K98.3Very high96.1Very high78 Ų7850 Ų5034%0.33929%0.289SS..EExtended strand (participates in β ladder)trans-109.3132.7176.6-53.5175.2-152.568.50108.3D11 P27 F29 I30D11-K18 HydrophobicContact CB-CB 4.39Å; D11-K18 PolarHBondContact N-O 2.85Å; D11-K18 PolarHBondContact O-N 3.16Å; D11-K18 IonicContact OD2-NZ 2.77Å; D11-K18 PolarHBondContact OD2-NZ 2.86Å; K18-P27 HydrophobicContact CB-CB 4.12Å; K18-P27 HydrophobicContact CB-CG 4.46Å; K18-F29 WeakPolarHBondContact CA-O 3.38Å; K18-I30 HydrophobicContact CG-CG1 4.13Å; K18-I30 HydrophobicContact CG-CG2 4.19Å
19L97.7Very high96.2Very high2 Ų253.6 Ų53.61%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-146.8150.6-17660.2115.1000112.6V9 V10 T17 Q28 F29 I31 V96 L101V9-L19 VanDerWaalsContact O-CA 3.26Å; V9-L19 WeakPolarHBondContact O-CA 3.42Å; V10-L19 HydrophobicContact CG1-CB 4.32Å; V10-L19 HydrophobicContact CG2-CB 4.26Å; T17-L19 HydrophobicContact CG2-CD2 4.05Å; L19-Q28 PolarHBondContact O-N 2.88Å; L19-F29 HydrophobicContact CD1-CB 3.99Å; L19-F29 HydrophobicContact CD1-CD2 3.55Å; L19-F29 HydrophobicContact CD1-CE2 4.45Å; L19-F29 HydrophobicContact CD1-CG 4.14Å; L19-F29 HydrophobicContact CD2-CB 4.24Å; L19-F29 HydrophobicContact CG-CB 3.9Å; L19-F29 HydrophobicContact CG-CD2 4.31Å; L19-F29 PolarHBondContact N-O 2.93Å; L19-F29 PolarHBondContact O-N 3.23Å; L19-I31 HydrophobicContact CD2-CD1 4.09Å; L19-I31 HydrophobicContact CD2-CG1 4.21Å; L19-V96 HydrophobicContact CB-CG1 4.44Å; L19-V96 HydrophobicContact CD1-CG1 4.32Å; L19-V96 HydrophobicContact CD2-CG1 4.04Å; L19-V96 HydrophobicContact CD2-CG2 4.28Å; L19-V96 HydrophobicContact CG-CG1 4.48Å; L19-L101 HydrophobicContact CB-CD2 4.44Å; L19-L101 HydrophobicContact CD1-CD1 4.5Å; L19-L101 HydrophobicContact CD1-CD2 3.62Å; L19-L101 HydrophobicContact CD1-CG 3.65Å
20G97.9Very high96.1Very high5 Ų555.7 Ų55.75%0.05231%0.313CS..EExtended strand (participates in β ladder)trans170.2-175.8175.200000112.7V9V9-G20 PolarHBondContact N-O 2.87Å; V9-G20 PolarHBondContact O-N 3.18Å
21Y97.5Very high96.1Very high44 Ų4455.9 Ų55.917%0.17331%0.314CS..EExtended strand (participates in β ladder)trans-87.8142.2178.1-62.6-74.2000112.6P6 A7 C8 N24 L101 A103 H108P6-Y21 HydrophobicContact CB-CD1 4.49Å; P6-Y21 HydrophobicContact CG-CD1 4.02Å; P6-Y21 HydrophobicContact CG-CG 4.29Å; A7-Y21 WeakPolarHBondContact O-CA 3.46Å; C8-Y21 VanDerWaalsContact SG-CE1 3.54Å; Y21-N24 WeakPolarHBondContact O-CB 3.31Å; Y21-N24 PolarHBondContact O-N 2.69Å; Y21-N24 PolarHBondContact O-ND2 2.6Å; Y21-L101 HydrophobicContact CE2-CD2 4.44Å; Y21-L101 PolarHBondContact OH-O 3.38Å; Y21-A103 HydrophobicContact CE1-CB 4.49Å; Y21-H108 AromaticContact CE1-CE1 3.52Å; Y21-H108 AromaticContact CE1-ND1 3.76Å
22A96.1Very high96.1Very high47 Ų4754.3 Ų54.339%0.38831%0.306SS..THydrogen-bonded Turntrans-58.3142.1172.800000111.3A7 V9A7-A22 HydrophobicContact CB-CB 4.16Å; A7-A22 WeakPolarHBondContact O-CB 3.46Å; A7-A22 PolarHBondContact O-N 3.06Å; V9-A22 HydrophobicContact CG2-CB 4.13Å
23G93.2Very high96.2Very high83 Ų8353.3 Ų53.386%0.85630%0.299SS*.THydrogen-bonded Turntrans97.1-14.6-176.900000114.1
24N94.1Very high96.2Very high88 Ų8852.6 Ų52.647%0.47129%0.292SS..  trans-74.3152.9172-69-17.1000111.6Y21 Q28Y21-N24 WeakPolarHBondContact O-CB 3.31Å; Y21-N24 PolarHBondContact O-N 2.69Å; Y21-N24 PolarHBondContact O-ND2 2.6Å; N24-Q28 PolarHBondContact ND2-OE1 3.35Å
25T91.3Very high96.3Very high146 Ų14652 Ų5290%0.89629%0.288SS*.SBendtrans-77-24.7178.3450000113.4
26E94.3Very high96.3Very high146 Ų14651.8 Ų51.868%0.68229%0.286SS*.SBendtrans-142.5155.5-177.862.5-173.3175.200109.9
27P96.6Very high96Very high57 Ų5747.1 Ų47.137%0.3727%0.269SS..  trans-60142.4171.627.3-35.4000110K18 I30K18-P27 HydrophobicContact CB-CB 4.12Å; K18-P27 HydrophobicContact CB-CG 4.46Å; P27-I30 HydrophobicContact CB-CG1 4.36Å; P27-I30 HydrophobicContact CG-CD1 3.88Å; P27-I30 HydrophobicContact CG-CG1 3.84Å
28Q97.1Very high95.3Very high85 Ų8552.3 Ų52.340%0.39729%0.292SS..SBendtrans-76.2-32.2-179.6-72.9171.2-83.200112.2L19 N24L19-Q28 PolarHBondContact O-N 2.88Å; N24-Q28 PolarHBondContact ND2-OE1 3.35Å
29F98Very high94.1Very high76 Ų7655.5 Ų55.533%0.33331%0.308SS..EExtended strand (participates in β ladder)trans-134.8141.8176.1-50.4-88.7000110.1K18 L19 I31 Y100K18-F29 WeakPolarHBondContact CA-O 3.38Å; L19-F29 HydrophobicContact CD1-CB 3.99Å; L19-F29 HydrophobicContact CD1-CD2 3.55Å; L19-F29 HydrophobicContact CD1-CE2 4.45Å; L19-F29 HydrophobicContact CD1-CG 4.14Å; L19-F29 HydrophobicContact CD2-CB 4.24Å; L19-F29 HydrophobicContact CG-CB 3.9Å; L19-F29 HydrophobicContact CG-CD2 4.31Å; L19-F29 PolarHBondContact N-O 2.93Å; L19-F29 PolarHBondContact O-N 3.23Å; F29-I31 HydrophobicContact CB-CG2 4.39Å; F29-Y100 HydrophobicContact CB-CD1 4.36Å; F29-Y100 AromaticContact CD1-CD1 3.89Å; F29-Y100 HydrophobicContact CD1-CD1 3.89Å; F29-Y100 HydrophobicContact CE1-CD1 4.3Å; F29-Y100 VanDerWaalsContact CE2-O 3.26Å; F29-Y100 WeakPolarHBondContact CE2-O 3.43Å; F29-Y100 HydrophobicContact CG-CD1 4.03Å
30I97.9Very high92.3Very high94 Ų9459.9 Ų59.948%0.48234%0.339SS..EExtended strand (participates in β ladder)trans-128.8110.1169.3-55.5180000104.9Y16 T17 K18 P27Y16-I30 HydrophobicContact CD1-CG2 4.06Å; Y16-I30 HydrophobicContact CG-CG2 4.37Å; T17-I30 WeakPolarHBondContact O-CA 3.49Å; K18-I30 HydrophobicContact CG-CG1 4.13Å; K18-I30 HydrophobicContact CG-CG2 4.19Å; P27-I30 HydrophobicContact CB-CG1 4.36Å; P27-I30 HydrophobicContact CG-CD1 3.88Å; P27-I30 HydrophobicContact CG-CG1 3.84Å
31I97.6Very high89.8Confident4 Ų463.9 Ų63.92%0.02137%0.371CS..EExtended strand (participates in β ladder)trans-123.8149.3-174.862173.7000110.3Y16 T17 L19 F29 S33 I62 F92 V96 Y100Y16-I31 CarbonylContact C-O 3.59Å; Y16-I31 VanDerWaalsContact CA-O 3.26Å; Y16-I31 WeakPolarHBondContact CA-O 3.32Å; T17-I31 PolarHBondContact N-O 2.81Å; T17-I31 PolarHBondContact O-N 2.85Å; L19-I31 HydrophobicContact CD2-CD1 4.09Å; L19-I31 HydrophobicContact CD2-CG1 4.21Å; F29-I31 HydrophobicContact CB-CG2 4.39Å; I31-S33 PolarHBondContact O-N 3.49Å; I31-I62 HydrophobicContact CD1-CD1 3.9Å; I31-F92 HydrophobicContact CD1-CE2 4.46Å; I31-F92 HydrophobicContact CD1-CZ 4.05Å; I31-F92 HydrophobicContact CG1-CZ 4.48Å; I31-V96 HydrophobicContact CD1-CG2 4.36Å; I31-Y100 HydrophobicContact CD1-CD2 4.32Å; I31-Y100 HydrophobicContact CD1-CE1 4.43Å; I31-Y100 HydrophobicContact CD1-CE2 4Å; I31-Y100 HydrophobicContact CG2-CD1 4.27Å; I31-Y100 HydrophobicContact CG2-CE1 3.66Å
32P97.1Very high87.4Confident4 Ų472 Ų723%0.02641%0.407CS..EExtended strand (participates in β ladder)trans-54134.5168.8-26.234000111.8G15 Y16 C34 G63 D64 I67 W76G15-P32 WeakPolarHBondContact O-CA 3.32Å; Y16-P32 HydrophobicContact CD1-CG 4.48Å; Y16-P32 HydrophobicContact CE1-CG 4.09Å; P32-C34 PolarHBondContact O-N 2.84Å; P32-G63 WeakPolarHBondContact O-CA 3.31Å; P32-D64 WeakPolarHBondContact CD-OD1 3.35Å; P32-D64 WeakPolarHBondContact CG-OD1 3.46Å; P32-I67 HydrophobicContact CB-CD1 3.8Å; P32-I67 HydrophobicContact CG-CD1 3.6Å; P32-W76 HydrophobicContact CB-CH2 4.29Å
33S96.9Very high85Confident1 Ų176.2 Ų76.21%0.00743%0.428CS..SBendtrans-77.646.8178.9-56.60000112.5G13 G15 Y16 T17 I31 W76 P77G13-S33 WeakPolarHBondContact O-CB 3.48Å; G13-S33 PolarHBondContact O-OG 3.12Å; G15-S33 PolarHBondContact O-N 2.86Å; Y16-S33 VanDerWaalsContact CA-OG 3.29Å; Y16-S33 WeakPolarHBondContact CA-OG 3.22Å; Y16-S33 PolarHBondContact N-OG 3.16Å; Y16-S33 PolarHBondContact O-OG 3.24Å; T17-S33 PolarHBondContact N-OG 3.22Å; T17-S33 PolarHBondContact OG1-OG 3.39Å; I31-S33 PolarHBondContact O-N 3.49Å; S33-W76 VanDerWaalsContact O-CE3 3.25Å; S33-P77 WeakPolarHBondContact O-CD 3.39Å
34C95.9Very high82.8Confident0 Ų074.6 Ų74.60%041%0.412CS..  trans-123.4153.4-178.463.30000112.2P32 I62 G63 T74 K75 W76P32-C34 PolarHBondContact O-N 2.84Å; C34-I62 VanDerWaalsContact O-CA 3.3Å; C34-I62 WeakPolarHBondContact O-CA 3.44Å; C34-G63 PolarHBondContact O-N 3.18Å; C34-G63 VanDerWaalsContact O-N 3.1Å; C34-T74 HydrophobicContact CB-CG2 3.75Å; C34-K75 VanDerWaalsContact CA-O 3.28Å; C34-K75 WeakPolarHBondContact CA-O 3.44Å; C34-K75 WeakPolarHBondContact CB-O 3.26Å; C34-W76 HydrophobicContact CB-CD2 3.8Å; C34-W76 HydrophobicContact CB-CE3 3.77Å; C34-W76 HydrophobicContact CB-CH2 3.79Å; C34-W76 HydrophobicContact CB-CZ2 3.81Å; C34-W76 HydrophobicContact CB-CZ3 3.76Å
35I95.4Very high80.8Confident0 Ų076.1 Ų76.10%042%0.42CS..EExtended strand (participates in β ladder)trans-126.4130.7176-176.3168.1000109I37 F60 F61 I62 K75 L88 R91I35-I37 HydrophobicContact CD1-CG2 4.2Å; I35-I37 HydrophobicContact CG1-CG2 3.97Å; I35-F60 HydrophobicContact CD1-CB 4.46Å; I35-F60 HydrophobicContact CD1-CD2 3.53Å; I35-F60 HydrophobicContact CD1-CE2 3.97Å; I35-F60 HydrophobicContact CD1-CG 4.17Å; I35-F60 HydrophobicContact CG1-CB 4.39Å; I35-F60 HydrophobicContact CG1-CD2 3.89Å; I35-F61 CarbonylContact C-O 3.5Å; I35-F61 WeakPolarHBondContact CA-O 3.39Å; I35-I62 HydrophobicContact CB-CG2 4.1Å; I35-I62 HydrophobicContact CD1-CG2 4.25Å; I35-I62 HydrophobicContact CG1-CG2 3.93Å; I35-K75 HydrophobicContact CG2-CB 4.16Å; I35-K75 PolarHBondContact N-O 3.22Å; I35-K75 PolarHBondContact O-N 3.45Å; I35-L88 HydrophobicContact CD1-CD2 4.23Å; I35-L88 HydrophobicContact CG2-CB 4.13Å; I35-L88 HydrophobicContact CG2-CD1 4.13Å; I35-L88 HydrophobicContact CG2-CD2 4.04Å; I35-L88 HydrophobicContact CG2-CG 4.33Å; I35-R91 HydrophobicContact CD1-CB 3.84Å
36A94.2Very high79.1Confident0 Ų076 Ų760%041%0.409CS..EExtended strand (participates in β ladder)trans-101.7117.5174.800000109F60 F61 A66 Y72 A73A36-F60 VanDerWaalsContact O-CA 3.27Å; A36-F60 WeakPolarHBondContact O-CA 3.29Å; A36-F60 WeakPolarHBondContact O-CB 3.39Å; A36-F61 HydrophobicContact CB-CB 4.41Å; A36-F61 PolarHBondContact N-O 3.35Å; A36-F61 PolarHBondContact O-N 3.06Å; A36-A66 HydrophobicContact CB-CB 3.58Å; A36-A66 WeakPolarHBondContact CB-O 3.19Å; A36-Y72 HydrophobicContact CB-CG 4.47Å; A36-A73 WeakPolarHBondContact CA-O 3.48Å
37I90.2Very high77.1Confident29 Ų2972.8 Ų72.815%0.14941%0.407CS..EExtended strand (participates in β ladder)trans-116147.6178.864.9171.2000110.3I35 E39 F60 Y72 A73 K75 L88I35-I37 HydrophobicContact CD1-CG2 4.2Å; I35-I37 HydrophobicContact CG1-CG2 3.97Å; I37-E39 PolarHBondContact O-N 3.07Å; I37-F60 HydrophobicContact CG2-CB 4.12Å; I37-Y72 VanDerWaalsContact C-CD1 3.49Å; I37-A73 PolarHBondContact N-O 2.73Å; I37-A73 PolarHBondContact O-N 2.82Å; I37-K75 HydrophobicContact CD1-CD 3.81Å; I37-K75 HydrophobicContact CG1-CD 4.25Å; I37-L88 HydrophobicContact CD1-CD2 4.3Å; I37-L88 HydrophobicContact CG2-CD2 4.02Å
38K84.6Confident74.9Confident109 Ų10976.3 Ų76.347%0.47442%0.419SS..  trans-75.8119.7174-163.6174-174.3175.90109S40 D59 Y72K38-S40 PolarHBondContact O-N 3.3Å; K38-D59 IonicContact NZ-OD2 3.56Å; K38-Y72 HydrophobicContact CB-CD1 4.05Å; K38-Y72 HydrophobicContact CB-CE1 3.83Å; K38-Y72 HydrophobicContact CG-CE1 4.49Å
39E72Confident72.6Confident146 Ų14679.2 Ų79.268%0.68243%0.426SS*.  trans-71.4106.3169.8-70.8-169.5157.300108.3I37 A41 A73I37-E39 PolarHBondContact O-N 3.07Å; E39-A41 PolarHBondContact O-N 3.48Å; E39-A41 VanDerWaalsContact O-N 3.14Å; E39-A73 HydrophobicContact CG-CB 3.66Å
40S59.5Low70.4Confident94 Ų9486.3 Ų86.366%0.65745%0.451SS*.  trans-62.7118171430000108.4K38 K42K38-S40 PolarHBondContact O-N 3.3Å; S40-K42 PolarHBondContact O-N 3.01Å
41A45.8Very low68Low89 Ų8987.7 Ų87.774%0.73646%0.463SS*.  trans-54.2124.7176.400000109.1E39 V43E39-A41 PolarHBondContact O-N 3.48Å; E39-A41 VanDerWaalsContact O-N 3.14Å; A41-V43 PolarHBondContact O-N 2.9Å
42K48.3Very low65.6Low213 Ų21392 Ų9293%0.92649%0.485SS*.SBendtrans-69.436.5-177.6-70-175.2177.1176.70114.1S40S40-K42 PolarHBondContact O-N 3.01Å
43V45.1Very low63.3Low137 Ų13798.4 Ų98.483%0.8351%0.512SS*.  trans-132.294.4-178.1-170.10000109.2A41A41-V43 PolarHBondContact O-N 2.9Å
44G48.1Very low61.2Low49 Ų49100.6 Ų100.651%0.50553%0.534SS..SBendtrans161.1149.4173.300000116.2R49G44-R49 PolarHBondContact O-NH2 3.4Å
45D51.7Low59.3Low120 Ų120105.6 Ų105.664%0.64257%0.565SS**  trans-53.7142.3-165.9-151.6-12.4000115.4A47 Q48D45-A47 PolarHBondContact O-N 3.05Å; D45-Q48 PolarHBondContact O-N 3.49Å
46Q54.9Low57.6Low144 Ų144108.4 Ų108.467%0.67358%0.58SS**THydrogen-bonded Turntrans-63.4-23.3-174.6-79.7-177.7-0.900113.6
47A52Low56.2Low78 Ų78111.2 Ų111.265%0.64560%0.595SS**THydrogen-bonded Turntrans-75.8-33.7-178.800000113.5D45 R49D45-A47 PolarHBondContact O-N 3.05Å; A47-R49 VanDerWaalsContact C-N 3.29Å; A47-R49 PolarHBondContact O-N 3.43Å
48Q50.6Low55.3Low130 Ų130115.5 Ų115.561%0.60762%0.617SS**THydrogen-bonded Turntrans-73.3-21.6176.8-109177.5-41.600112.9D45 R50 M52D45-Q48 PolarHBondContact O-N 3.49Å; Q48-R50 VanDerWaalsContact C-N 3.34Å; Q48-R50 PolarHBondContact O-N 3.43Å; Q48-M52 PolarHBondContact O-N 3.23Å
49R49.5Very low55.3Low146 Ų146112.4 Ų112.455%0.55161%0.606SS**Hα-helixtrans-63.6-31.7-178.8-69.4-177.9-144.3177.24.2114.1G44 A47 K53G44-R49 PolarHBondContact O-NH2 3.4Å; A47-R49 VanDerWaalsContact C-N 3.29Å; A47-R49 PolarHBondContact O-N 3.43Å; R49-K53 VanDerWaalsContact O-CB 3.26Å; R49-K53 WeakPolarHBondContact O-CB 3.5Å; R49-K53 PolarHBondContact O-N 3.46Å; R49-K53 VanDerWaalsContact O-N 3.12Å
50R50.7Low56.3Low225 Ų225106.1 Ų106.185%0.84958%0.577SS**Hα-helixtrans-76.6-28.3-173.9-68.9-174-171.1178.32.7113.6Q48Q48-R50 VanDerWaalsContact C-N 3.34Å; Q48-R50 PolarHBondContact O-N 3.43Å
51V47.4Very low57.9Low124 Ų124103.7 Ų103.775%0.75255%0.554SS**Hα-helixtrans-90.2-35.3179.6-179.20000111.4
52M48Very low60.3Low95 Ų9599.5 Ų99.547%0.46852%0.519SS..Hα-helixtrans-78.7-23176.8-69-179.877.700113.6Q48 G54 V55 D56Q48-M52 PolarHBondContact O-N 3.23Å; M52-G54 VanDerWaalsContact C-N 3.28Å; M52-G54 PolarHBondContact O-N 3.4Å; M52-V55 PolarHBondContact O-N 3.16Å; M52-V55 VanDerWaalsContact O-N 3.14Å; M52-D56 WeakPolarHBondContact O-CB 3.24Å; M52-D56 PolarHBondContact O-N 3.35Å
53K48.3Very low62.5Low138 Ų13889.3 Ų89.360%0.648%0.475SS*.Hα-helixtrans-52.9-44.6179.7-134.7-176.2169.1-165.20112.9R49 V55 D57R49-K53 VanDerWaalsContact O-CB 3.26Å; R49-K53 WeakPolarHBondContact O-CB 3.5Å; R49-K53 PolarHBondContact O-N 3.46Å; R49-K53 VanDerWaalsContact O-N 3.12Å; K53-V55 VanDerWaalsContact C-N 3.32Å; K53-V55 PolarHBondContact O-N 3.03Å; K53-D57 WeakPolarHBondContact O-CB 3.37Å; K53-D57 VanDerWaalsContact O-CG 3.27Å; K53-D57 PolarHBondContact O-N 3.25Å
54G53.2Low64.9Low46 Ų4686.8 Ų86.847%0.47446%0.457SS..Hα-helixtrans-71.6-22.4-175.800000114.5M52 L58M52-G54 VanDerWaalsContact C-N 3.28Å; M52-G54 PolarHBondContact O-N 3.4Å; G54-L58 WeakPolarHBondContact O-CD1 3.37Å; G54-L58 WeakPolarHBondContact O-CG 3.47Å
55V56.2Low67Low105 Ų10587.6 Ų87.664%0.63645%0.448SS*.Hα-helixtrans-93.8-38.9178.3-175.20000110.6M52 K53 L58M52-V55 PolarHBondContact O-N 3.16Å; M52-V55 VanDerWaalsContact O-N 3.14Å; K53-V55 VanDerWaalsContact C-N 3.32Å; K53-V55 PolarHBondContact O-N 3.03Å; V55-L58 PolarHBondContact O-N 2.75Å
56D59.3Low69Low60 Ų6081.9 Ų81.932%0.32142%0.417SS..Hα-helixtrans-70.9-29.6175.9-72-28.5000112.1M52 L58 D59M52-D56 WeakPolarHBondContact O-CB 3.24Å; M52-D56 PolarHBondContact O-N 3.35Å; D56-L58 PolarHBondContact O-N 2.87Å; D56-D59 PolarHBondContact O-N 2.95Å
57D65.3Low70.7Confident58 Ų5879.7 Ų79.731%0.3141%0.409SS..THydrogen-bonded Turntrans-67.6-20.4175.3-85.4-29.8000113.1K53 F60 R91K53-D57 WeakPolarHBondContact O-CB 3.37Å; K53-D57 VanDerWaalsContact O-CG 3.27Å; K53-D57 PolarHBondContact O-N 3.25Å; D57-F60 WeakPolarHBondContact O-CD1 3.36Å; D57-R91 PolarHBondContact O-NH1 2.93Å; D57-R91 IonicContact OD1-CZ 2.75Å; D57-R91 VanDerWaalsContact OD1-CZ 3.28Å; D57-R91 IonicContact OD1-NH1 3.86Å; D57-R91 PolarHBondContact OD1-NH1 2.85Å; D57-R91 IonicContact OD1-NH2 2.67Å; D57-R91 PolarHBondContact OD1-NH2 2.98Å; D57-R91 IonicContact OD2-NH2 3.92Å
58L70.3Confident72.5Confident120 Ų12083 Ų8363%0.62841%0.411SS*.THydrogen-bonded Turntrans-93.7-10.9177.8-63171.2000113.3G54 V55 D56 F60G54-L58 WeakPolarHBondContact O-CD1 3.37Å; G54-L58 WeakPolarHBondContact O-CG 3.47Å; V55-L58 PolarHBondContact O-N 2.75Å; D56-L58 PolarHBondContact O-N 2.87Å; L58-F60 PolarHBondContact O-N 2.78Å
59D85.7Confident74.3Confident44 Ų4480.6 Ų80.624%0.23540%0.399CS..  trans-90.572.7-178.6-171.213.8000110.5K38 D56 Y72K38-D59 IonicContact NZ-OD2 3.56Å; D56-D59 PolarHBondContact O-N 2.95Å; D59-Y72 WeakPolarHBondContact O-CE1 3.3Å; D59-Y72 PolarHBondContact OD1-OH 2.79Å; D59-Y72 PolarHBondContact OD2-OH 3.03Å
60F91.7Very high75.6Confident14 Ų1479.6 Ų79.66%0.06141%0.411CS..EExtended strand (participates in β ladder)trans-140.4158.7174.969.8-87.1000112.2I35 A36 I37 D57 L58 I62 R91 Q95I35-F60 HydrophobicContact CD1-CB 4.46Å; I35-F60 HydrophobicContact CD1-CD2 3.53Å; I35-F60 HydrophobicContact CD1-CE2 3.97Å; I35-F60 HydrophobicContact CD1-CG 4.17Å; I35-F60 HydrophobicContact CG1-CB 4.39Å; I35-F60 HydrophobicContact CG1-CD2 3.89Å; A36-F60 VanDerWaalsContact O-CA 3.27Å; A36-F60 WeakPolarHBondContact O-CA 3.29Å; A36-F60 WeakPolarHBondContact O-CB 3.39Å; I37-F60 HydrophobicContact CG2-CB 4.12Å; D57-F60 WeakPolarHBondContact O-CD1 3.36Å; L58-F60 PolarHBondContact O-N 2.78Å; F60-I62 HydrophobicContact CD2-CG2 4.13Å; F60-I62 HydrophobicContact CE2-CG2 4.18Å; F60-R91 HydrophobicContact CE1-CB 4.27Å; F60-R91 HydrophobicContact CE1-CG 4.38Å; F60-R91 HydrophobicContact CE2-CB 3.88Å; F60-R91 VanDerWaalsContact CE2-O 3.3Å; F60-R91 WeakPolarHBondContact CE2-O 3.42Å; F60-R91 HydrophobicContact CZ-CB 3.73Å; F60-R91 HydrophobicContact CZ-CG 4.29Å; F60-R91 WeakPolarHBondContact CZ-O 3.46Å; F60-Q95 HydrophobicContact CD2-CG 4.28Å; F60-Q95 HydrophobicContact CE2-CB 4.46Å; F60-Q95 HydrophobicContact CE2-CG 3.34Å; F60-Q95 HydrophobicContact CZ-CG 3.74Å
61F94.1Very high77.3Confident42 Ų4274.6 Ų74.618%0.18441%0.405CS..EExtended strand (participates in β ladder)trans-127.6152.4178.3-57.6-85.3000109.8I35 A36 E65 A66 K69 Y72I35-F61 CarbonylContact C-O 3.5Å; I35-F61 WeakPolarHBondContact CA-O 3.39Å; A36-F61 HydrophobicContact CB-CB 4.41Å; A36-F61 PolarHBondContact N-O 3.35Å; A36-F61 PolarHBondContact O-N 3.06Å; F61-E65 HydrophobicContact CB-CB 4.04Å; F61-E65 HydrophobicContact CD1-CB 4.27Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.38Å; F61-E65 HydrophobicContact CG-CB 4.5Å; F61-A66 WeakPolarHBondContact O-CB 3.37Å; F61-K69 HydrophobicContact CD2-CD 4.31Å; F61-K69 HydrophobicContact CD2-CG 3.94Å; F61-K69 HydrophobicContact CE2-CD 4.19Å; F61-K69 HydrophobicContact CE2-CG 4.32Å; F61-K69 HydrophobicContact CG-CG 4.27Å; F61-Y72 HydrophobicContact CD2-CD1 4.26Å; F61-Y72 HydrophobicContact CD2-CE1 4.07Å; F61-Y72 HydrophobicContact CE2-CD1 4.45Å; F61-Y72 AromaticContact CE2-CE1 3.84Å; F61-Y72 HydrophobicContact CE2-CE1 3.84Å; F61-Y72 HydrophobicContact CE2-CE2 4.22Å; F61-Y72 AromaticContact CE2-CZ 3.73Å
62I95.7Very high79.3Confident1 Ų170.6 Ų70.61%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-129.5161.8174.869.7156.5000111I31 C34 I35 F60 F92 Q95 V96 Y100I31-I62 HydrophobicContact CD1-CD1 3.9Å; C34-I62 VanDerWaalsContact O-CA 3.3Å; C34-I62 WeakPolarHBondContact O-CA 3.44Å; I35-I62 HydrophobicContact CB-CG2 4.1Å; I35-I62 HydrophobicContact CD1-CG2 4.25Å; I35-I62 HydrophobicContact CG1-CG2 3.93Å; F60-I62 HydrophobicContact CD2-CG2 4.13Å; F60-I62 HydrophobicContact CE2-CG2 4.18Å; I62-F92 HydrophobicContact CB-CD2 3.78Å; I62-F92 HydrophobicContact CB-CE2 3.91Å; I62-F92 HydrophobicContact CD1-CD2 3.99Å; I62-F92 HydrophobicContact CD1-CE2 3.91Å; I62-F92 HydrophobicContact CD1-CG 4.49Å; I62-F92 HydrophobicContact CD1-CZ 4.33Å; I62-F92 HydrophobicContact CG1-CE2 4.49Å; I62-F92 HydrophobicContact CG2-CD2 3.67Å; I62-F92 HydrophobicContact CG2-CE2 4.33Å; I62-F92 HydrophobicContact CG2-CG 4.43Å; I62-Q95 HydrophobicContact CD1-CB 3.43Å; I62-Q95 VanDerWaalsContact CD1-CB 3.43Å; I62-Q95 HydrophobicContact CG1-CB 3.67Å; I62-Q95 HydrophobicContact CG1-CG 4.38Å; I62-Q95 HydrophobicContact CG2-CB 4.27Å; I62-Q95 HydrophobicContact CG2-CG 4.39Å; I62-V96 HydrophobicContact CD1-CG2 3.93Å; I62-Y100 HydrophobicContact CD1-CD2 4.07Å; I62-Y100 HydrophobicContact CD1-CE2 3.64Å; I62-Y100 HydrophobicContact CG1-CE2 3.69Å; I62-Y100 PolarHBondContact O-OH 2.8Å
63G95.4Very high81.3Confident0 Ų067.1 Ų67.10%036%0.364CS..THydrogen-bonded Turntrans69.5-142177.100000112.2P32 C34 E65 A66P32-G63 WeakPolarHBondContact O-CA 3.31Å; C34-G63 PolarHBondContact O-N 3.18Å; C34-G63 VanDerWaalsContact O-N 3.1Å; G63-E65 VanDerWaalsContact C-N 3.26Å; G63-E65 PolarHBondContact O-N 2.99Å; G63-A66 VanDerWaalsContact O-CB 3.31Å; G63-A66 WeakPolarHBondContact O-CB 3.45Å; G63-A66 PolarHBondContact O-N 2.79Å
64D94.6Very high83.5Confident83 Ų8363.5 Ų63.544%0.44435%0.353SS..Hα-helixtrans-60.7-37.7-177.3-58.4-52.2000112P32 A66 I67 E68P32-D64 WeakPolarHBondContact CD-OD1 3.35Å; P32-D64 WeakPolarHBondContact CG-OD1 3.46Å; D64-A66 PolarHBondContact O-N 2.88Å; D64-I67 PolarHBondContact O-N 3.48Å; D64-E68 WeakPolarHBondContact O-CG 3.35Å; D64-E68 PolarHBondContact O-N 2.77Å; D64-E68 VanDerWaalsContact O-N 3.11Å
65E93.3Very high85.4Confident67 Ų6764.9 Ų64.931%0.31335%0.346SS..Hα-helixtrans-61.8-27.8176.1-68.3-179.7-152.700112.7F61 G63 I67 K69 K99F61-E65 HydrophobicContact CB-CB 4.04Å; F61-E65 HydrophobicContact CD1-CB 4.27Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.38Å; F61-E65 HydrophobicContact CG-CB 4.5Å; G63-E65 VanDerWaalsContact C-N 3.26Å; G63-E65 PolarHBondContact O-N 2.99Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K99 WeakPolarHBondContact OE1-CE 3.43Å; E65-K99 IonicContact OE1-NZ 2.74Å; E65-K99 PolarHBondContact OE1-NZ 3.15Å; E65-K99 IonicContact OE2-NZ 3.94Å; E65-K99 PolarHBondContact OE2-NZ 3.26Å
66A93.3Very high87.3Confident0 Ų063.9 Ų63.90%033%0.331CS..Hα-helixtrans-72.5-27.2175.500000112.8A36 F61 G63 D64 T74A36-A66 HydrophobicContact CB-CB 3.58Å; A36-A66 WeakPolarHBondContact CB-O 3.19Å; F61-A66 WeakPolarHBondContact O-CB 3.37Å; G63-A66 VanDerWaalsContact O-CB 3.31Å; G63-A66 WeakPolarHBondContact O-CB 3.45Å; G63-A66 PolarHBondContact O-N 2.79Å; D64-A66 PolarHBondContact O-N 2.88Å; A66-T74 PolarHBondContact O-OG1 3.15Å
67I90.4Very high89Confident97 Ų9761 Ų6150%0.49732%0.316SS..Hα-helixtrans-80.7-34.9178.1-60-179.4000110.3P32 D64 E65 K69P32-I67 HydrophobicContact CB-CD1 3.8Å; P32-I67 HydrophobicContact CG-CD1 3.6Å; D64-I67 PolarHBondContact O-N 3.48Å; E65-I67 VanDerWaalsContact C-N 3.32Å; I67-K69 VanDerWaalsContact C-N 3.26Å; I67-K69 PolarHBondContact O-N 3.37Å
68E90.4Very high90.4Very high148 Ų14858.5 Ų58.569%0.69230%0.302SS*.SBendtrans-78.5-2.2-176.9-67.5-178173.200114.6D64 P70D64-E68 WeakPolarHBondContact O-CG 3.35Å; D64-E68 PolarHBondContact O-N 2.77Å; D64-E68 VanDerWaalsContact O-N 3.11Å; E68-P70 WeakPolarHBondContact O-CD 3.49Å
69K87.1Confident91.4Very high80 Ų8058.8 Ų58.835%0.34830%0.295SS..  trans-104.883.8-176.3-68-74.5-177.5-174.10111.7F61 E65 I67 T71 Y72F61-K69 HydrophobicContact CD2-CD 4.31Å; F61-K69 HydrophobicContact CD2-CG 3.94Å; F61-K69 HydrophobicContact CE2-CD 4.19Å; F61-K69 HydrophobicContact CE2-CG 4.32Å; F61-K69 HydrophobicContact CG-CG 4.27Å; E65-K69 WeakPolarHBondContact O-CG 3.42Å; I67-K69 VanDerWaalsContact C-N 3.26Å; I67-K69 PolarHBondContact O-N 3.37Å; K69-T71 PolarHBondContact O-N 2.95Å; K69-T71 VanDerWaalsContact O-N 3.1Å; K69-Y72 HydrophobicContact CB-CD2 3.92Å; K69-Y72 HydrophobicContact CB-CG 4.27Å; K69-Y72 PolarHBondContact O-N 3.01Å; K69-Y72 VanDerWaalsContact O-N 3.09Å
70P77.8Confident91.5Very high124 Ų12461.6 Ų61.681%0.80531%0.306SS*.THydrogen-bonded Turntrans-66.2-17.1-174.727.1-36.8000114.4E68 Y72E68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-Y72 VanDerWaalsContact C-N 3.33Å
71T86.1Confident91.3Very high120 Ų12061.8 Ų61.874%0.73631%0.312SS*.THydrogen-bonded Turntrans-85.8-4.4178.1580000113.5K69K69-T71 PolarHBondContact O-N 2.95Å; K69-T71 VanDerWaalsContact O-N 3.1Å
72Y89.4Confident91.2Very high40 Ų4063 Ų6316%0.15732%0.32CS..SBendtrans-108.9151.9-179.6-72-116.9000109.3A36 I37 K38 D59 F61 K69 P70 T74A36-Y72 HydrophobicContact CB-CG 4.47Å; I37-Y72 VanDerWaalsContact C-CD1 3.49Å; K38-Y72 HydrophobicContact CB-CD1 4.05Å; K38-Y72 HydrophobicContact CB-CE1 3.83Å; K38-Y72 HydrophobicContact CG-CE1 4.49Å; D59-Y72 WeakPolarHBondContact O-CE1 3.3Å; D59-Y72 PolarHBondContact OD1-OH 2.79Å; D59-Y72 PolarHBondContact OD2-OH 3.03Å; F61-Y72 HydrophobicContact CD2-CD1 4.26Å; F61-Y72 HydrophobicContact CD2-CE1 4.07Å; F61-Y72 HydrophobicContact CE2-CD1 4.45Å; F61-Y72 AromaticContact CE2-CE1 3.84Å; F61-Y72 HydrophobicContact CE2-CE1 3.84Å; F61-Y72 HydrophobicContact CE2-CE2 4.22Å; F61-Y72 AromaticContact CE2-CZ 3.73Å; K69-Y72 HydrophobicContact CB-CD2 3.92Å; K69-Y72 HydrophobicContact CB-CG 4.27Å; K69-Y72 PolarHBondContact O-N 3.01Å; K69-Y72 VanDerWaalsContact O-N 3.09Å; P70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-T74 PolarHBondContact O-N 2.82Å
73A90.2Very high91.2Very high23 Ų2364.2 Ų64.219%0.1933%0.327CS..EExtended strand (participates in β ladder)trans-84.8112.8172.800000109.5A36 I37 E39A36-A73 WeakPolarHBondContact CA-O 3.48Å; I37-A73 PolarHBondContact N-O 2.73Å; I37-A73 PolarHBondContact O-N 2.82Å; E39-A73 HydrophobicContact CG-CB 3.66Å
74T93.1Very high91.1Very high61 Ų6169.9 Ų69.937%0.37435%0.354SS..EExtended strand (participates in β ladder)trans-75.5124173.9-46.50000110.3C34 A66 Y72C34-T74 HydrophobicContact CB-CG2 3.75Å; A66-T74 PolarHBondContact O-OG1 3.15Å; Y72-T74 PolarHBondContact O-N 2.82Å
75K94.5Very high91.1Very high76 Ų7668.7 Ų68.733%0.3335%0.347SS..EExtended strand (participates in β ladder)trans-121.5154.6177.8-64.2-171.3175.7-176.20110.8C34 I35 I37 L88C34-K75 VanDerWaalsContact CA-O 3.28Å; C34-K75 WeakPolarHBondContact CA-O 3.44Å; C34-K75 WeakPolarHBondContact CB-O 3.26Å; I35-K75 HydrophobicContact CG2-CB 4.16Å; I35-K75 PolarHBondContact N-O 3.22Å; I35-K75 PolarHBondContact O-N 3.45Å; I37-K75 HydrophobicContact CD1-CD 3.81Å; I37-K75 HydrophobicContact CG1-CD 4.25Å; K75-L88 HydrophobicContact CB-CD1 3.83Å; K75-L88 HydrophobicContact CD-CD1 3.52Å; K75-L88 HydrophobicContact CG-CD1 4.34Å
76W94.8Very high91.2Very high83 Ų8368 Ų6831%0.31434%0.342SS..  trans-120.3102.7-179.7-61.987.3000108.1P32 S33 C34 I78P32-W76 HydrophobicContact CB-CH2 4.29Å; S33-W76 VanDerWaalsContact O-CE3 3.25Å; C34-W76 HydrophobicContact CB-CD2 3.8Å; C34-W76 HydrophobicContact CB-CE3 3.77Å; C34-W76 HydrophobicContact CB-CH2 3.79Å; C34-W76 HydrophobicContact CB-CZ2 3.81Å; C34-W76 HydrophobicContact CB-CZ3 3.76Å; W76-I78 PolarHBondContact O-N 3.39Å
77P95.4Very high91.2Very high1 Ų173.4 Ų73.41%0.00637%0.371CS..SBendtrans-67.8-21.2-176.425.9-33.7000112.9S33 E84 L88 M89S33-P77 WeakPolarHBondContact O-CD 3.39Å; P77-E84 PolarHBondContact O-N 3.4Å; P77-L88 HydrophobicContact CB-CB 4.06Å; P77-M89 HydrophobicContact CB-CB 4.41Å; P77-M89 HydrophobicContact CB-SD 4.39Å; P77-M89 HydrophobicContact CG-SD 4.34Å
78I94.9Very high91.4Very high4 Ų469.3 Ų69.32%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-110.7128.5-179.6-55.9170.8000109.2C12 W76 I82 V83 M89C12-I78 HydrophobicContact CB-CD1 3.69Å; W76-I78 PolarHBondContact O-N 3.39Å; I78-I82 CarbonylContact C-O 3.56Å; I78-I82 WeakPolarHBondContact CA-O 3.29Å; I78-V83 HydrophobicContact CG1-CG2 4.19Å; I78-M89 HydrophobicContact CD1-CE 4.41Å; I78-M89 HydrophobicContact CD1-SD 4.09Å; I78-M89 HydrophobicContact CG1-SD 4.12Å
79R91.2Very high91.6Very high127 Ų12762.9 Ų62.948%0.47932%0.32SS..EExtended strand (participates in β ladder)trans-131.9135.1172.7-60.1-158.5-176.5176.5-7.1110.9G81 I82 E84R79-G81 PolarHBondContact O-N 3.28Å; R79-I82 PolarHBondContact N-O 2.94Å; R79-I82 PolarHBondContact O-N 3.35Å; R79-E84 HydrophobicContact CB-CG 4.14Å; R79-E84 WeakPolarHBondContact CB-OE1 3.4Å; R79-E84 WeakPolarHBondContact CD-OE2 3.27Å; R79-E84 HydrophobicContact CG-CG 4.32Å; R79-E84 IonicContact CZ-OE2 3.04Å; R79-E84 IonicContact NE-OE2 2.94Å; R79-E84 PolarHBondContact NE-OE2 2.95Å; R79-E84 IonicContact NH1-OE2 3.68Å
80H87.6Confident92Very high102 Ų10262.1 Ų62.147%0.47232%0.318SS..THydrogen-bonded Turntrans48.136.9-177.8-56.2-68.6000113.4I82 G173H80-I82 VanDerWaalsContact C-N 3.33Å; H80-I82 PolarHBondContact O-N 3.24Å; H80-G173 PolarHBondContact ND1-O 2.88Å
81G87.8Confident92.8Very high18 Ų1859.5 Ų59.519%0.18629%0.292CS..THydrogen-bonded Turntrans83.5-6.8-178.800000116T14 R79 P115T14-G81 PolarHBondContact OG1-N 2.99Å; R79-G81 PolarHBondContact O-N 3.28Å; G81-P115 WeakPolarHBondContact O-CG 3.29Å
82I91.9Very high93.3Very high69 Ų6953.9 Ų53.935%0.35426%0.257SS..EExtended strand (participates in β ladder)trans-109.2140.3-176-56.5178.7000110.2I78 R79 H80 E84 N122I78-I82 CarbonylContact C-O 3.56Å; I78-I82 WeakPolarHBondContact CA-O 3.29Å; R79-I82 PolarHBondContact N-O 2.94Å; R79-I82 PolarHBondContact O-N 3.35Å; H80-I82 VanDerWaalsContact C-N 3.33Å; H80-I82 PolarHBondContact O-N 3.24Å; I82-E84 PolarHBondContact O-N 3.39Å; I82-N122 WeakPolarHBondContact CG2-ND2 3.25Å
83V95.1Very high93.7Very high26 Ų2652.4 Ų52.416%0.15825%0.252CS..EExtended strand (participates in β ladder)trans-72120.4171.6-177.70000108.9I78 W86 M89I78-V83 HydrophobicContact CG1-CG2 4.19Å; V83-W86 HydrophobicContact CB-CD2 4.39Å; V83-W86 HydrophobicContact CB-CH2 3.96Å; V83-W86 HydrophobicContact CB-CZ2 3.81Å; V83-W86 HydrophobicContact CB-CZ3 4.33Å; V83-W86 HydrophobicContact CG1-CD2 3.73Å; V83-W86 HydrophobicContact CG1-CE3 3.89Å; V83-W86 HydrophobicContact CG1-CG 4.22Å; V83-W86 HydrophobicContact CG1-CH2 4.22Å; V83-W86 HydrophobicContact CG1-CZ2 4.08Å; V83-W86 HydrophobicContact CG1-CZ3 4.14Å; V83-W86 HydrophobicContact CG2-CH2 4.02Å; V83-W86 HydrophobicContact CG2-CZ2 4.37Å; V83-W86 HydrophobicContact CG2-CZ3 4.28Å; V83-M89 HydrophobicContact CG1-CB 3.75Å; V83-M89 HydrophobicContact CG1-CG 3.93Å; V83-M89 HydrophobicContact CG2-CG 4.22Å; V83-M89 HydrophobicContact CG2-SD 4.25Å
84E93.9Very high94Very high119 Ų11954.4 Ų54.456%0.55626%0.257SS*.SBendtrans-100.1-26177.6-70.1-170170.400113P77 R79 I82P77-E84 PolarHBondContact O-N 3.4Å; R79-E84 HydrophobicContact CB-CG 4.14Å; R79-E84 WeakPolarHBondContact CB-OE1 3.4Å; R79-E84 WeakPolarHBondContact CD-OE2 3.27Å; R79-E84 HydrophobicContact CG-CG 4.32Å; R79-E84 IonicContact CZ-OE2 3.04Å; R79-E84 IonicContact NE-OE2 2.94Å; R79-E84 PolarHBondContact NE-OE2 2.95Å; R79-E84 IonicContact NH1-OE2 3.68Å; I82-E84 PolarHBondContact O-N 3.39Å
85D94.9Very high94.1Very high57 Ų5753.5 Ų53.531%0.30525%0.249SC..  trans-131.299.4-177.4-169.3-34.9000109.7D87 L88 M89D85-D87 PolarHBondContact OD1-N 3.37Å; D85-L88 HydrophobicContact CB-CB 4.15Å; D85-L88 HydrophobicContact CB-CD1 4.04Å; D85-L88 HydrophobicContact CB-CG 4.23Å; D85-L88 VanDerWaalsContact CG-CG 3.44Å; D85-L88 WeakPolarHBondContact OD1-CG 3.39Å; D85-L88 PolarHBondContact OD1-N 3.48Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.3Å; D85-L88 WeakPolarHBondContact OD2-CG 3.26Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 3Å
86W95Very high94.2Very high52 Ų5249.9 Ų49.920%0.19723%0.233CC..Hα-helixtrans-71.9-33.2-176.2-71.4101.4000113V83 L88 M89 E90 N122 Y125 T126 I129V83-W86 HydrophobicContact CB-CD2 4.39Å; V83-W86 HydrophobicContact CB-CH2 3.96Å; V83-W86 HydrophobicContact CB-CZ2 3.81Å; V83-W86 HydrophobicContact CB-CZ3 4.33Å; V83-W86 HydrophobicContact CG1-CD2 3.73Å; V83-W86 HydrophobicContact CG1-CE3 3.89Å; V83-W86 HydrophobicContact CG1-CG 4.22Å; V83-W86 HydrophobicContact CG1-CH2 4.22Å; V83-W86 HydrophobicContact CG1-CZ2 4.08Å; V83-W86 HydrophobicContact CG1-CZ3 4.14Å; V83-W86 HydrophobicContact CG2-CH2 4.02Å; V83-W86 HydrophobicContact CG2-CZ2 4.37Å; V83-W86 HydrophobicContact CG2-CZ3 4.28Å; W86-L88 VanDerWaalsContact C-N 3.31Å; W86-L88 PolarHBondContact O-N 3.22Å; W86-M89 HydrophobicContact CE3-CB 4.5Å; W86-M89 PolarHBondContact O-N 3.41Å; W86-E90 WeakPolarHBondContact O-CB 3.26Å; W86-E90 PolarHBondContact O-N 3.03Å; W86-N122 HydrophobicContact CH2-CB 4.19Å; W86-N122 WeakPolarHBondContact CH2-O 3.43Å; W86-N122 HydrophobicContact CZ2-CB 3.72Å; W86-Y125 HydrophobicContact CD2-CG 4.47Å; W86-Y125 HydrophobicContact CZ2-CD2 4.34Å; W86-T126 WeakPolarHBondContact CH2-OG1 3.34Å; W86-I129 HydrophobicContact CE3-CD1 3.71Å; W86-I129 HydrophobicContact CZ3-CD1 4.27Å
87D93.1Very high94.3Very high115 Ų11545.9 Ų45.962%0.61522%0.218SC*.Hα-helixtrans-62.6-42.3175.8-67.7-19.9000110.4D85 R91D85-D87 PolarHBondContact OD1-N 3.37Å; D87-R91 WeakPolarHBondContact O-CG 3.43Å; D87-R91 PolarHBondContact O-N 3.44Å
88L94.4Very high94.4Very high11 Ų1150.3 Ų50.36%0.05824%0.237CC..Hα-helixtrans-71.1-35.5174.5-67.8-177.5000112.4I35 I37 K75 P77 D85 W86 F92I35-L88 HydrophobicContact CD1-CD2 4.23Å; I35-L88 HydrophobicContact CG2-CB 4.13Å; I35-L88 HydrophobicContact CG2-CD1 4.13Å; I35-L88 HydrophobicContact CG2-CD2 4.04Å; I35-L88 HydrophobicContact CG2-CG 4.33Å; I37-L88 HydrophobicContact CD1-CD2 4.3Å; I37-L88 HydrophobicContact CG2-CD2 4.02Å; K75-L88 HydrophobicContact CB-CD1 3.83Å; K75-L88 HydrophobicContact CD-CD1 3.52Å; K75-L88 HydrophobicContact CG-CD1 4.34Å; P77-L88 HydrophobicContact CB-CB 4.06Å; D85-L88 HydrophobicContact CB-CB 4.15Å; D85-L88 HydrophobicContact CB-CD1 4.04Å; D85-L88 HydrophobicContact CB-CG 4.23Å; D85-L88 VanDerWaalsContact CG-CG 3.44Å; D85-L88 WeakPolarHBondContact OD1-CG 3.39Å; D85-L88 PolarHBondContact OD1-N 3.48Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.3Å; D85-L88 WeakPolarHBondContact OD2-CG 3.26Å; W86-L88 VanDerWaalsContact C-N 3.31Å; W86-L88 PolarHBondContact O-N 3.22Å; L88-F92 VanDerWaalsContact O-CB 3.25Å; L88-F92 WeakPolarHBondContact O-CB 3.17Å; L88-F92 PolarHBondContact O-N 2.9Å
89M96.1Very high94.4Very high13 Ų1353.5 Ų53.56%0.06425%0.251CS..Hα-helixtrans-65.6-42.3178-169.665.5-151.700111.6C12 P77 I78 V83 D85 W86 F92 M93C12-M89 HydrophobicContact CB-CE 4.23Å; P77-M89 HydrophobicContact CB-CB 4.41Å; P77-M89 HydrophobicContact CB-SD 4.39Å; P77-M89 HydrophobicContact CG-SD 4.34Å; I78-M89 HydrophobicContact CD1-CE 4.41Å; I78-M89 HydrophobicContact CD1-SD 4.09Å; I78-M89 HydrophobicContact CG1-SD 4.12Å; V83-M89 HydrophobicContact CG1-CB 3.75Å; V83-M89 HydrophobicContact CG1-CG 3.93Å; V83-M89 HydrophobicContact CG2-CG 4.22Å; V83-M89 HydrophobicContact CG2-SD 4.25Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 3Å; W86-M89 HydrophobicContact CE3-CB 4.5Å; W86-M89 PolarHBondContact O-N 3.41Å; M89-F92 HydrophobicContact CE-CD1 4.19Å; M89-F92 WeakPolarHBondContact O-CB 3.26Å; M89-F92 PolarHBondContact O-N 2.85Å; M89-M93 HydrophobicContact CE-CG 3.76Å; M89-M93 HydrophobicContact CE-SD 3.73Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 2.85Å
90E95.8Very high94.6Very high64 Ų6448.9 Ų48.930%0.29923%0.234SC..Hα-helixtrans-61.8-49.1176.6-177.1173.6-16100111.3W86 F92 M93 E94 I129 S133 F134W86-E90 WeakPolarHBondContact O-CB 3.26Å; W86-E90 PolarHBondContact O-N 3.03Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 3.21Å; E90-M93 PolarHBondContact O-N 2.87Å; E90-M93 VanDerWaalsContact O-N 3.14Å; E90-E94 PolarHBondContact O-N 3.05Å; E90-I129 HydrophobicContact CB-CD1 4.22Å; E90-I129 HydrophobicContact CB-CG2 4.33Å; E90-I129 HydrophobicContact CG-CG2 3.93Å; E90-S133 VanDerWaalsContact OE1-CB 3.22Å; E90-S133 WeakPolarHBondContact OE1-CB 3.4Å; E90-S133 PolarHBondContact OE1-OG 3.27Å; E90-F134 HydrophobicContact CG-CZ 4.46Å
91R94.6Very high95.1Very high69 Ų6944.4 Ų44.426%0.2621%0.213SC..Hα-helixtrans-59.3-38.8174.1-69179.9-162-146.41.4112.4I35 D57 F60 D87 E94 Q95I35-R91 HydrophobicContact CD1-CB 3.84Å; D57-R91 PolarHBondContact O-NH1 2.93Å; D57-R91 IonicContact OD1-CZ 2.75Å; D57-R91 VanDerWaalsContact OD1-CZ 3.28Å; D57-R91 IonicContact OD1-NH1 3.86Å; D57-R91 PolarHBondContact OD1-NH1 2.85Å; D57-R91 IonicContact OD1-NH2 2.67Å; D57-R91 PolarHBondContact OD1-NH2 2.98Å; D57-R91 IonicContact OD2-NH2 3.92Å; F60-R91 HydrophobicContact CE1-CB 4.27Å; F60-R91 HydrophobicContact CE1-CG 4.38Å; F60-R91 HydrophobicContact CE2-CB 3.88Å; F60-R91 VanDerWaalsContact CE2-O 3.3Å; F60-R91 WeakPolarHBondContact CE2-O 3.42Å; F60-R91 HydrophobicContact CZ-CB 3.73Å; F60-R91 HydrophobicContact CZ-CG 4.29Å; F60-R91 WeakPolarHBondContact CZ-O 3.46Å; D87-R91 WeakPolarHBondContact O-CG 3.43Å; D87-R91 PolarHBondContact O-N 3.44Å; R91-E94 PolarHBondContact O-N 2.85Å; R91-Q95 PolarHBondContact O-N 3.28Å
92F96.4Very high95.5Very high1 Ų153.6 Ų53.60%0.00424%0.242CC..Hα-helixtrans-63.9-45.5175.9-179-88.1000111.2T17 I31 I62 L88 M89 E90 E94 Q95 V96T17-F92 HydrophobicContact CG2-CE1 4.06Å; T17-F92 HydrophobicContact CG2-CZ 4.33Å; I31-F92 HydrophobicContact CD1-CE2 4.46Å; I31-F92 HydrophobicContact CD1-CZ 4.05Å; I31-F92 HydrophobicContact CG1-CZ 4.48Å; I62-F92 HydrophobicContact CB-CD2 3.78Å; I62-F92 HydrophobicContact CB-CE2 3.91Å; I62-F92 HydrophobicContact CD1-CD2 3.99Å; I62-F92 HydrophobicContact CD1-CE2 3.91Å; I62-F92 HydrophobicContact CD1-CG 4.49Å; I62-F92 HydrophobicContact CD1-CZ 4.33Å; I62-F92 HydrophobicContact CG1-CE2 4.49Å; I62-F92 HydrophobicContact CG2-CD2 3.67Å; I62-F92 HydrophobicContact CG2-CE2 4.33Å; I62-F92 HydrophobicContact CG2-CG 4.43Å; L88-F92 VanDerWaalsContact O-CB 3.25Å; L88-F92 WeakPolarHBondContact O-CB 3.17Å; L88-F92 PolarHBondContact O-N 2.9Å; M89-F92 HydrophobicContact CE-CD1 4.19Å; M89-F92 WeakPolarHBondContact O-CB 3.26Å; M89-F92 PolarHBondContact O-N 2.85Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 3.21Å; F92-E94 VanDerWaalsContact C-N 3.35Å; F92-E94 PolarHBondContact O-N 3.3Å; F92-Q95 PolarHBondContact O-N 3.12Å; F92-V96 HydrophobicContact CD1-CG2 3.93Å; F92-V96 HydrophobicContact CE1-CG2 3.56Å; F92-V96 HydrophobicContact CZ-CG2 4.08Å; F92-V96 WeakPolarHBondContact O-CG2 3.37Å; F92-V96 PolarHBondContact O-N 2.79Å
93M97.1Very high95.6Very high9 Ų950.6 Ų50.64%0.04423%0.228CC..Hα-helixtrans-63.5-38.3177.1-73.6-58.6-67.700112.6V10 M89 E90 Q95 V96 I97 L112 M130 F134V10-M93 HydrophobicContact CG1-CE 4.48Å; V10-M93 HydrophobicContact CG1-SD 4.49Å; M89-M93 HydrophobicContact CE-CG 3.76Å; M89-M93 HydrophobicContact CE-SD 3.73Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 2.85Å; E90-M93 PolarHBondContact O-N 2.87Å; E90-M93 VanDerWaalsContact O-N 3.14Å; M93-Q95 VanDerWaalsContact C-N 3.34Å; M93-Q95 PolarHBondContact O-N 3.14Å; M93-V96 WeakPolarHBondContact O-CB 3.25Å; M93-V96 PolarHBondContact O-N 3.28Å; M93-V96 VanDerWaalsContact O-N 3.16Å; M93-I97 WeakPolarHBondContact O-CG1 3.26Å; M93-I97 PolarHBondContact O-N 3.32Å; M93-L112 HydrophobicContact CE-CD2 4.03Å; M93-M130 HydrophobicContact CE-SD 4Å; M93-F134 HydrophobicContact CB-CE2 3.88Å; M93-F134 HydrophobicContact CB-CZ 4.11Å
94E95.8Very high95.6Very high65 Ų6554.2 Ų54.230%0.30424%0.243SC..Hα-helixtrans-54.7-50.4174.9-175.3-169.7168.200111E90 R91 F92 V96 I97 F98 F134E90-E94 PolarHBondContact O-N 3.05Å; R91-E94 PolarHBondContact O-N 2.85Å; F92-E94 VanDerWaalsContact C-N 3.35Å; F92-E94 PolarHBondContact O-N 3.3Å; E94-V96 PolarHBondContact O-N 3.06Å; E94-I97 PolarHBondContact O-N 3.47Å; E94-F98 HydrophobicContact CG-CD2 3.73Å; E94-F98 HydrophobicContact CG-CE2 4.07Å; E94-F98 VanDerWaalsContact O-CD2 3.27Å; E94-F98 WeakPolarHBondContact O-CD2 3.3Å; E94-F98 PolarHBondContact O-N 2.93Å; E94-F134 HydrophobicContact CB-CE1 4.07Å; E94-F134 HydrophobicContact CB-CZ 4.1Å; E94-F134 HydrophobicContact CG-CE1 4.41Å
95Q95.4Very high95.7Very high42 Ų4248.8 Ų48.820%0.19622%0.218CC..Hα-helixtrans-67.7-36.5177.5-70.6-64.4-46.500112.4F60 I62 R91 F92 M93 I97 K99 Y100F60-Q95 HydrophobicContact CD2-CG 4.28Å; F60-Q95 HydrophobicContact CE2-CB 4.46Å; F60-Q95 HydrophobicContact CE2-CG 3.34Å; F60-Q95 HydrophobicContact CZ-CG 3.74Å; I62-Q95 HydrophobicContact CD1-CB 3.43Å; I62-Q95 VanDerWaalsContact CD1-CB 3.43Å; I62-Q95 HydrophobicContact CG1-CB 3.67Å; I62-Q95 HydrophobicContact CG1-CG 4.38Å; I62-Q95 HydrophobicContact CG2-CB 4.27Å; I62-Q95 HydrophobicContact CG2-CG 4.39Å; R91-Q95 PolarHBondContact O-N 3.28Å; F92-Q95 PolarHBondContact O-N 3.12Å; M93-Q95 VanDerWaalsContact C-N 3.34Å; M93-Q95 PolarHBondContact O-N 3.14Å; Q95-I97 VanDerWaalsContact C-N 3.31Å; Q95-I97 PolarHBondContact O-N 2.61Å; Q95-K99 WeakPolarHBondContact O-CA 3.44Å; Q95-K99 VanDerWaalsContact O-CB 3.23Å; Q95-K99 WeakPolarHBondContact O-CB 3.24Å; Q95-K99 PolarHBondContact O-N 2.99Å; Q95-Y100 PolarHBondContact O-N 3.25Å
96V97.4Very high95.8Very high0 Ų051.1 Ų51.10%023%0.227CC..Iπ-helixtrans-57.3-45.4173.5165.20000111.1V10 L19 I31 I62 F92 M93 E94 L101V10-V96 HydrophobicContact CG1-CG1 4.2Å; V10-V96 HydrophobicContact CG2-CG1 4.26Å; L19-V96 HydrophobicContact CB-CG1 4.44Å; L19-V96 HydrophobicContact CD1-CG1 4.32Å; L19-V96 HydrophobicContact CD2-CG1 4.04Å; L19-V96 HydrophobicContact CD2-CG2 4.28Å; L19-V96 HydrophobicContact CG-CG1 4.48Å; I31-V96 HydrophobicContact CD1-CG2 4.36Å; I62-V96 HydrophobicContact CD1-CG2 3.93Å; F92-V96 HydrophobicContact CD1-CG2 3.93Å; F92-V96 HydrophobicContact CE1-CG2 3.56Å; F92-V96 HydrophobicContact CZ-CG2 4.08Å; F92-V96 WeakPolarHBondContact O-CG2 3.37Å; F92-V96 PolarHBondContact O-N 2.79Å; M93-V96 WeakPolarHBondContact O-CB 3.25Å; M93-V96 PolarHBondContact O-N 3.28Å; M93-V96 VanDerWaalsContact O-N 3.16Å; E94-V96 PolarHBondContact O-N 3.06Å; V96-L101 HydrophobicContact CG1-CD1 4.28Å; V96-L101 PolarHBondContact O-N 2.92Å
97I97.3Very high95.8Very high0 Ų053.3 Ų53.30%024%0.243CC..Iπ-helixtrans-73.4-56.9-176.9-65.4168.5000111M93 E94 Q95 L101 R102 A103 P105 F110 F134M93-I97 WeakPolarHBondContact O-CG1 3.26Å; M93-I97 PolarHBondContact O-N 3.32Å; E94-I97 PolarHBondContact O-N 3.47Å; Q95-I97 VanDerWaalsContact C-N 3.31Å; Q95-I97 PolarHBondContact O-N 2.61Å; I97-L101 WeakPolarHBondContact O-CB 3.42Å; I97-R102 PolarHBondContact O-N 2.81Å; I97-A103 PolarHBondContact O-N 3.49Å; I97-P105 HydrophobicContact CG2-CB 4.22Å; I97-P105 HydrophobicContact CG2-CG 4.28Å; I97-F110 HydrophobicContact CD1-CE1 4.2Å; I97-F110 HydrophobicContact CD1-CZ 4.25Å; I97-F110 HydrophobicContact CG1-CE1 3.94Å; I97-F110 HydrophobicContact CG1-CZ 4.1Å; I97-F110 HydrophobicContact CG2-CZ 4.4Å; I97-F134 HydrophobicContact CD1-CB 4.49Å; I97-F134 HydrophobicContact CD1-CD1 4.15Å; I97-F134 HydrophobicContact CD1-CD2 3.84Å; I97-F134 HydrophobicContact CD1-CE1 4.36Å; I97-F134 HydrophobicContact CD1-CE2 4.06Å; I97-F134 HydrophobicContact CD1-CG 3.91Å; I97-F134 HydrophobicContact CD1-CZ 4.32Å
98F96.6Very high96Very high94 Ų9448.5 Ų48.541%0.41222%0.217SC..Iπ-helixtrans-83.7-35-168.8-65.1-67.5000113.5E94 P105 F134E94-F98 HydrophobicContact CG-CD2 3.73Å; E94-F98 HydrophobicContact CG-CE2 4.07Å; E94-F98 VanDerWaalsContact O-CD2 3.27Å; E94-F98 WeakPolarHBondContact O-CD2 3.3Å; E94-F98 PolarHBondContact O-N 2.93Å; F98-P105 HydrophobicContact CE1-CG 4.21Å; F98-P105 HydrophobicContact CZ-CG 4.03Å; F98-F134 HydrophobicContact CE2-CD1 4.17Å; F98-F134 HydrophobicContact CE2-CE1 4.17Å
99K95.2Very high96.1Very high71 Ų7152 Ų5231%0.30923%0.23SC..Iπ-helixtrans-89.8-48.7-177.5178179.6175.1178.30112.8E65 Q95 R102E65-K99 WeakPolarHBondContact OE1-CE 3.43Å; E65-K99 IonicContact OE1-NZ 2.74Å; E65-K99 PolarHBondContact OE1-NZ 3.15Å; E65-K99 IonicContact OE2-NZ 3.94Å; E65-K99 PolarHBondContact OE2-NZ 3.26Å; Q95-K99 WeakPolarHBondContact O-CA 3.44Å; Q95-K99 VanDerWaalsContact O-CB 3.23Å; Q95-K99 WeakPolarHBondContact O-CB 3.24Å; Q95-K99 PolarHBondContact O-N 2.99Å; K99-R102 WeakPolarHBondContact O-CG 3.45Å
100Y96.2Very high96.2Very high29 Ų2951.5 Ų51.511%0.11423%0.227CC..Iπ-helixtrans-86.8-59.1-174.7-71.7-90.8000112.6F29 I31 I62 Q95 R102F29-Y100 HydrophobicContact CB-CD1 4.36Å; F29-Y100 AromaticContact CD1-CD1 3.89Å; F29-Y100 HydrophobicContact CD1-CD1 3.89Å; F29-Y100 HydrophobicContact CE1-CD1 4.3Å; F29-Y100 VanDerWaalsContact CE2-O 3.26Å; F29-Y100 WeakPolarHBondContact CE2-O 3.43Å; F29-Y100 HydrophobicContact CG-CD1 4.03Å; I31-Y100 HydrophobicContact CD1-CD2 4.32Å; I31-Y100 HydrophobicContact CD1-CE1 4.43Å; I31-Y100 HydrophobicContact CD1-CE2 4Å; I31-Y100 HydrophobicContact CG2-CD1 4.27Å; I31-Y100 HydrophobicContact CG2-CE1 3.66Å; I62-Y100 HydrophobicContact CD1-CD2 4.07Å; I62-Y100 HydrophobicContact CD1-CE2 3.64Å; I62-Y100 HydrophobicContact CG1-CE2 3.69Å; I62-Y100 PolarHBondContact O-OH 2.8Å; Q95-Y100 PolarHBondContact O-N 3.25Å; Y100-R102 VanDerWaalsContact C-N 3.29Å; Y100-R102 PolarHBondContact O-N 2.85Å
101L96.3Very high96.3Very high8 Ų850.4 Ų50.44%0.04222%0.223CC..Iπ-helixtrans-67.3-33.9178.5-69.8171.4000111.5C8 V10 L19 Y21 V96 I97 A103 F110C8-L101 HydrophobicContact CB-CD1 4.04Å; V10-L101 HydrophobicContact CG2-CD1 4.25Å; L19-L101 HydrophobicContact CB-CD2 4.44Å; L19-L101 HydrophobicContact CD1-CD1 4.5Å; L19-L101 HydrophobicContact CD1-CD2 3.62Å; L19-L101 HydrophobicContact CD1-CG 3.65Å; Y21-L101 HydrophobicContact CE2-CD2 4.44Å; Y21-L101 PolarHBondContact OH-O 3.38Å; V96-L101 HydrophobicContact CG1-CD1 4.28Å; V96-L101 PolarHBondContact O-N 2.92Å; I97-L101 WeakPolarHBondContact O-CB 3.42Å; L101-A103 HydrophobicContact CB-CB 4.13Å; L101-A103 PolarHBondContact O-N 2.87Å; L101-F110 HydrophobicContact CD1-CE1 4.29Å
102R96.3Very high96.5Very high211 Ų21147.6 Ų47.680%0.79621%0.213SC*.  trans54.441-172.2-54.8-179.8179.2-173.5-1110.9I97 K99 Y100I97-R102 PolarHBondContact O-N 2.81Å; K99-R102 WeakPolarHBondContact O-CG 3.45Å; Y100-R102 VanDerWaalsContact C-N 3.29Å; Y100-R102 PolarHBondContact O-N 2.85Å
103A94.5Very high96.4Very high6 Ų648.5 Ų48.55%0.0522%0.219CC..  trans-97.2145.2-179.800000110Y21 I97 L101 P105Y21-A103 HydrophobicContact CE1-CB 4.49Å; I97-A103 PolarHBondContact O-N 3.49Å; L101-A103 HydrophobicContact CB-CB 4.13Å; L101-A103 PolarHBondContact O-N 2.87Å; A103-P105 WeakPolarHBondContact O-CD 3.42Å
104E96.3Very high96.3Very high103 Ų10348.5 Ų48.548%0.48122%0.218SC..  trans-82109.3159.9-171.863.9-108.700107.3E106 D107 H108E104-E106 HydrophobicContact CG-CB 4.48Å; E104-E106 PolarHBondContact O-N 2.92Å; E104-E106 VanDerWaalsContact O-N 3.15Å; E104-D107 HydrophobicContact CB-CB 4.44Å; E104-D107 PolarHBondContact O-N 2.89Å; E104-H108 PolarHBondContact O-CD2 2.81Å
105P95.6Very high96.1Very high4 Ų446 Ų463%0.02621%0.208CC..G310 helixtrans-59.8-29.1-172.322.5-33.9000113.3I97 F98 A103 D107 H108 F110 F134 V136 P137I97-P105 HydrophobicContact CG2-CB 4.22Å; I97-P105 HydrophobicContact CG2-CG 4.28Å; F98-P105 HydrophobicContact CE1-CG 4.21Å; F98-P105 HydrophobicContact CZ-CG 4.03Å; A103-P105 WeakPolarHBondContact O-CD 3.42Å; P105-D107 PolarHBondContact O-N 2.83Å; P105-H108 PolarHBondContact O-N 2.92Å; P105-F110 HydrophobicContact CB-CE2 4.12Å; P105-F110 HydrophobicContact CB-CZ 4.38Å; P105-F134 HydrophobicContact CB-CB 4.22Å; P105-F134 WeakPolarHBondContact CB-O 3.32Å; P105-F134 HydrophobicContact CG-CB 4.4Å; P105-F134 WeakPolarHBondContact CG-O 3.15Å; P105-V136 HydrophobicContact CB-CG1 3.98Å; P105-P137 WeakPolarHBondContact O-CD 3.28Å
106E95.9Very high95.7Very high106 Ų10645.3 Ų45.350%0.49521%0.207SC..G310 helixtrans-65.3-23.3178-61.7-171.9175.600113.5E104 N135 P137E104-E106 HydrophobicContact CG-CB 4.48Å; E104-E106 PolarHBondContact O-N 2.92Å; E104-E106 VanDerWaalsContact O-N 3.15Å; E106-N135 HydrophobicContact CG-CB 3.84Å; E106-N135 PolarHBondContact OE1-ND2 2.75Å; E106-P137 WeakPolarHBondContact O-CD 3.4Å; E106-P137 VanDerWaalsContact O-CG 3.26Å; E106-P137 WeakPolarHBondContact O-CG 3.42Å
107D95.8Very high95.1Very high98 Ų9849.5 Ų49.552%0.52423%0.229SC..G310 helixtrans-96.4-10.1-177.9-71.7-34.3000113.4L5 E104 P105L5-D107 HydrophobicContact CD1-CB 3.71Å; E104-D107 HydrophobicContact CB-CB 4.44Å; E104-D107 PolarHBondContact O-N 2.89Å; P105-D107 PolarHBondContact O-N 2.83Å
108H96.3Very high94.8Very high15 Ų1550.6 Ų50.67%0.06924%0.235CC..SBendtrans-120.2146.1-170.9-74-99.4000112.9L5 P6 Y21 E104 P105 F110 P137L5-H108 VanDerWaalsContact CD1-NE2 3.3Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.37Å; P6-H108 PolarHBondContact O-ND1 3.48Å; Y21-H108 AromaticContact CE1-CE1 3.52Å; Y21-H108 AromaticContact CE1-ND1 3.76Å; E104-H108 PolarHBondContact O-CD2 2.81Å; P105-H108 PolarHBondContact O-N 2.92Å; H108-F110 HydrophobicContact CB-CE2 4.09Å; H108-P137 VanDerWaalsContact O-CD 3.25Å; H108-P137 WeakPolarHBondContact O-CD 3.16Å; H108-P137 WeakPolarHBondContact O-CG 3.45Å
109Y97.3Very high94.6Very high84 Ų8448.8 Ų48.833%0.32923%0.231SC..  trans-88.7144.2169.8-82.527.3000109.1R4 A7 C8 P137R4-Y109 VanDerWaalsContact CZ-CE2 3.48Å; R4-Y109 VanDerWaalsContact CZ-OH 3.23Å; R4-Y109 PolarHBondContact NH2-OH 3.46Å; A7-Y109 CarbonylContact C-O 3.56Å; A7-Y109 WeakPolarHBondContact CA-O 3.21Å; A7-Y109 WeakPolarHBondContact CB-O 3.37Å; C8-Y109 PolarHBondContact N-O 2.97Å; Y109-P137 HydrophobicContact CD1-CB 4.39Å; Y109-P137 HydrophobicContact CD1-CG 3.69Å; Y109-P137 HydrophobicContact CE1-CB 3.79Å; Y109-P137 HydrophobicContact CE1-CG 3.58Å
110F98Very high94.6Very high3 Ų348.9 Ų48.91%0.01324%0.239CC..EExtended strand (participates in β ladder)trans-111.4130.6-179.9-79.3-102000111.7C8 I97 L101 P105 H108 M130 V136 G138 L139 Y140C8-F110 HydrophobicContact CB-CD1 3.58Å; C8-F110 HydrophobicContact CB-CD2 4.38Å; C8-F110 HydrophobicContact CB-CE1 3.43Å; C8-F110 VanDerWaalsContact CB-CE1 3.43Å; C8-F110 HydrophobicContact CB-CE2 4.26Å; C8-F110 HydrophobicContact CB-CG 4.07Å; C8-F110 HydrophobicContact CB-CZ 3.8Å; C8-F110 CarbonylContact O-C 3.54Å; C8-F110 WeakPolarHBondContact O-CA 3.07Å; I97-F110 HydrophobicContact CD1-CE1 4.2Å; I97-F110 HydrophobicContact CD1-CZ 4.25Å; I97-F110 HydrophobicContact CG1-CE1 3.94Å; I97-F110 HydrophobicContact CG1-CZ 4.1Å; I97-F110 HydrophobicContact CG2-CZ 4.4Å; L101-F110 HydrophobicContact CD1-CE1 4.29Å; P105-F110 HydrophobicContact CB-CE2 4.12Å; P105-F110 HydrophobicContact CB-CZ 4.38Å; H108-F110 HydrophobicContact CB-CE2 4.09Å; F110-M130 HydrophobicContact CB-CE 3.75Å; F110-M130 HydrophobicContact CD1-CE 3.53Å; F110-M130 HydrophobicContact CD2-CE 4.04Å; F110-M130 HydrophobicContact CE1-CE 4.1Å; F110-M130 HydrophobicContact CG-CE 3.48Å; F110-M130 VanDerWaalsContact CG-CE 3.48Å; F110-V136 HydrophobicContact CD2-CB 4.1Å; F110-V136 HydrophobicContact CD2-CG1 3.52Å; F110-V136 HydrophobicContact CE2-CG1 3.7Å; F110-V136 HydrophobicContact CG-CG1 4.31Å; F110-G138 PolarHBondContact N-O 3.41Å; F110-L139 HydrophobicContact CB-CD1 3.91Å; F110-L139 CarbonylContact O-C 3.57Å; F110-L139 WeakPolarHBondContact O-CA 3.37Å; F110-Y140 PolarHBondContact O-N 2.93Å
111L98.1Very high94.6Very high40 Ų4052.6 Ų52.621%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-107.1112.3164.3-171.4154.9000108C8 V9 V10 T113 Y140 A142 L147C8-L111 PolarHBondContact O-N 2.78Å; V9-L111 WeakPolarHBondContact CA-O 3.36Å; V9-L111 HydrophobicContact CG1-CD2 4.11Å; V9-L111 HydrophobicContact CG2-CB 4.36Å; V10-L111 PolarHBondContact N-O 3.01Å; L111-T113 HydrophobicContact CD2-CG2 4.22Å; L111-Y140 CarbonylContact C-O 3.56Å; L111-Y140 VanDerWaalsContact CA-O 3.3Å; L111-Y140 WeakPolarHBondContact CA-O 3.31Å; L111-Y140 HydrophobicContact CD1-CD1 3.91Å; L111-Y140 HydrophobicContact CG-CD1 4.03Å; L111-A142 HydrophobicContact CD2-CB 4.22Å; L111-L147 HydrophobicContact CD2-CD1 4.09Å
112L97.9Very high94.6Very high11 Ų1153.2 Ų53.26%0.05826%0.261CS..EExtended strand (participates in β ladder)trans-104.3154.9172.6-57.2-174.5000109.8V10 M93 T126 M130 L139 Y140 I141 A142V10-L112 HydrophobicContact CB-CD2 3.65Å; V10-L112 HydrophobicContact CG1-CD2 4.49Å; V10-L112 HydrophobicContact CG2-CD2 4.09Å; V10-L112 WeakPolarHBondContact O-CA 3.23Å; M93-L112 HydrophobicContact CE-CD2 4.03Å; L112-T126 HydrophobicContact CD1-CG2 3.52Å; L112-M130 HydrophobicContact CD1-CE 4.35Å; L112-M130 HydrophobicContact CD1-CG 3.85Å; L112-M130 HydrophobicContact CD1-SD 4.1Å; L112-L139 HydrophobicContact CD1-CD1 3.85Å; L112-L139 HydrophobicContact CG-CD1 3.83Å; L112-Y140 PolarHBondContact N-O 2.94Å; L112-I141 WeakPolarHBondContact O-CA 3.17Å; L112-A142 PolarHBondContact O-N 3.45Å
113T95.8Very high94.6Very high19 Ų1948 Ų4812%0.11724%0.242CC..EExtended strand (participates in β ladder)trans-112.2148.3174.870.80000112V10 D11 L111 A142 L147V10-T113 PolarHBondContact O-N 2.65Å; D11-T113 VanDerWaalsContact CA-OG1 3.29Å; D11-T113 WeakPolarHBondContact CA-OG1 3.49Å; D11-T113 HydrophobicContact CB-CG2 3.99Å; D11-T113 PolarHBondContact OD1-OG1 3.35Å; L111-T113 HydrophobicContact CD2-CG2 4.22Å; T113-A142 CarbonylContact C-O 3.59Å; T113-A142 VanDerWaalsContact CA-O 3.25Å; T113-A142 WeakPolarHBondContact CA-O 3.16Å; T113-L147 HydrophobicContact CG2-CD1 3.53Å
114E94.1Very high94.7Very high9 Ų954.1 Ų54.14%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-136.1157.3174.370.8-174165.300111.4N118 R123 I141 A142 Q144E114-N118 HydrophobicContact CB-CB 4.23Å; E114-N118 HydrophobicContact CG-CB 4.37Å; E114-N118 PolarHBondContact OE2-ND2 2.96Å; E114-R123 VanDerWaalsContact CD-NE 3.3Å; E114-R123 IonicContact OE1-CZ 3.42Å; E114-R123 IonicContact OE1-NE 3.28Å; E114-R123 PolarHBondContact OE1-NE 3.4Å; E114-R123 IonicContact OE1-NH2 2.61Å; E114-R123 PolarHBondContact OE1-NH2 3.48Å; E114-R123 IonicContact OE2-CZ 2.67Å; E114-R123 IonicContact OE2-NE 3.13Å; E114-R123 PolarHBondContact OE2-NE 2.87Å; E114-R123 IonicContact OE2-NH2 3.57Å; E114-I141 HydrophobicContact CB-CG2 4.01Å; E114-I141 HydrophobicContact CG-CG2 3.76Å; E114-A142 PolarHBondContact N-O 2.91Å; E114-Q144 WeakPolarHBondContact O-CG 3.47Å; E114-Q144 PolarHBondContact O-N 3.31Å; E114-Q144 VanDerWaalsContact O-N 3.15Å
115P91.1Very high94.8Very high14 Ų1454.8 Ų54.89%0.09127%0.268CS..  trans-69.8157.117332.4-38.8000111.3G81 L117 N118G81-P115 WeakPolarHBondContact O-CG 3.29Å; P115-L117 PolarHBondContact O-N 3.34Å; P115-L117 VanDerWaalsContact O-N 3.12Å; P115-N118 HydrophobicContact CG-CB 4.02Å; P115-N118 WeakPolarHBondContact O-CB 3.4Å; P115-N118 PolarHBondContact O-N 3.25Å; P115-N118 VanDerWaalsContact O-N 3.15Å
116P86.9Confident94.8Very high26 Ų2655.9 Ų55.917%0.16928%0.275CS..THydrogen-bonded Turntrans-65.9-18.1-176.332.7-42.9000114.4V143 I178 V185 I190P116-V143 HydrophobicContact CB-CG1 3.95Å; P116-I178 HydrophobicContact CB-CD1 4.23Å; P116-I178 HydrophobicContact CB-CG2 4.36Å; P116-I178 HydrophobicContact CG-CD1 3.52Å; P116-I178 HydrophobicContact CG-CG1 3.94Å; P116-V185 HydrophobicContact CB-CG1 4.37Å; P116-I190 HydrophobicContact CB-CD1 3.88Å; P116-I190 HydrophobicContact CG-CD1 4.29Å
117L85.6Confident94.9Very high88 Ų8852.1 Ų52.146%0.46126%0.262SS..THydrogen-bonded Turntrans-107.118.8-179.6-63.5176.4000112.1P115 I190P115-L117 PolarHBondContact O-N 3.34Å; P115-L117 VanDerWaalsContact O-N 3.12Å; L117-I190 HydrophobicContact CD1-CG2 4.08Å; L117-I190 HydrophobicContact CD2-CD1 3.76Å; L117-I190 HydrophobicContact CG-CD1 4.24Å; L117-I190 HydrophobicContact CG-CG2 4.31Å
118N91.4Very high95Very high23 Ų2352 Ų5212%0.12326%0.258CS..  trans-64.4138.8173.8-162.730.3000110.4E114 P115 N122E114-N118 HydrophobicContact CB-CB 4.23Å; E114-N118 HydrophobicContact CG-CB 4.37Å; E114-N118 PolarHBondContact OE2-ND2 2.96Å; P115-N118 HydrophobicContact CG-CB 4.02Å; P115-N118 WeakPolarHBondContact O-CB 3.4Å; P115-N118 PolarHBondContact O-N 3.25Å; P115-N118 VanDerWaalsContact O-N 3.15Å; N118-N122 WeakPolarHBondContact OD1-CB 3.32Å; N118-N122 PolarHBondContact OD1-ND2 3.4Å; N118-N122 VanDerWaalsContact OD1-ND2 3.14Å
119T92.9Very high95Very high56 Ų5652.2 Ų52.234%0.34426%0.26SS..  trans-75.7151.6179.4760000110.7E121 N122 R123T119-E121 WeakPolarHBondContact CB-OE2 3.44Å; T119-E121 PolarHBondContact O-N 3.38Å; T119-E121 PolarHBondContact OG1-OE2 3.19Å; T119-N122 PolarHBondContact O-N 2.9Å; T119-N122 PolarHBondContact OG1-N 3.5Å; T119-R123 PolarHBondContact O-N 3.32Å; T119-R123 VanDerWaalsContact O-N 3.15Å
120P94.7Very high95.1Very high73 Ų7348.4 Ų48.447%0.47425%0.245SC..Hα-helixtrans-55.3-36.7174.3-25.635.6000112.8R123 E124P120-R123 WeakPolarHBondContact O-CB 3.45Å; P120-R123 PolarHBondContact O-N 3.33Å; P120-E124 WeakPolarHBondContact O-CG 3.39Å; P120-E124 PolarHBondContact O-N 3.12Å
121E96.2Very high95.1Very high108 Ų10852.7 Ų52.751%0.50526%0.263SS..Hα-helixtrans-64.6-42.7179.9-57.175.8-164.800111.3T119 R123 E124 Y125T119-E121 WeakPolarHBondContact CB-OE2 3.44Å; T119-E121 PolarHBondContact O-N 3.38Å; T119-E121 PolarHBondContact OG1-OE2 3.19Å; E121-R123 VanDerWaalsContact C-N 3.28Å; E121-R123 PolarHBondContact O-N 3.46Å; E121-E124 WeakPolarHBondContact O-CB 3.32Å; E121-E124 PolarHBondContact O-N 2.94Å; E121-Y125 WeakPolarHBondContact O-CD2 3.23Å; E121-Y125 PolarHBondContact O-N 3.03Å
122N96.1Very high95Very high21 Ų2157.5 Ų57.511%0.11229%0.285CS..Hα-helixtrans-64.2-36.2174.9-73.5-8.2000112.1I82 W86 N118 T119 E124 T126I82-N122 WeakPolarHBondContact CG2-ND2 3.25Å; W86-N122 HydrophobicContact CH2-CB 4.19Å; W86-N122 WeakPolarHBondContact CH2-O 3.43Å; W86-N122 HydrophobicContact CZ2-CB 3.72Å; N118-N122 WeakPolarHBondContact OD1-CB 3.32Å; N118-N122 PolarHBondContact OD1-ND2 3.4Å; N118-N122 VanDerWaalsContact OD1-ND2 3.14Å; T119-N122 PolarHBondContact O-N 2.9Å; T119-N122 PolarHBondContact OG1-N 3.5Å; N122-E124 VanDerWaalsContact C-N 3.34Å; N122-T126 PolarHBondContact O-N 3.13Å; N122-T126 PolarHBondContact O-OG1 3.04Å
123R96.2Very high94.9Very high101 Ų10159.8 Ų59.838%0.38130%0.302SS..Hα-helixtrans-66.2-39.7175.1-170.3-176.4-69.5136.7-2.2111E114 T119 P120 E121 T126 A127 I141E114-R123 VanDerWaalsContact CD-NE 3.3Å; E114-R123 IonicContact OE1-CZ 3.42Å; E114-R123 IonicContact OE1-NE 3.28Å; E114-R123 PolarHBondContact OE1-NE 3.4Å; E114-R123 IonicContact OE1-NH2 2.61Å; E114-R123 PolarHBondContact OE1-NH2 3.48Å; E114-R123 IonicContact OE2-CZ 2.67Å; E114-R123 IonicContact OE2-NE 3.13Å; E114-R123 PolarHBondContact OE2-NE 2.87Å; E114-R123 IonicContact OE2-NH2 3.57Å; T119-R123 PolarHBondContact O-N 3.32Å; T119-R123 VanDerWaalsContact O-N 3.15Å; P120-R123 WeakPolarHBondContact O-CB 3.45Å; P120-R123 PolarHBondContact O-N 3.33Å; E121-R123 VanDerWaalsContact C-N 3.28Å; E121-R123 PolarHBondContact O-N 3.46Å; R123-T126 PolarHBondContact O-N 2.91Å; R123-A127 PolarHBondContact O-N 2.93Å; R123-I141 HydrophobicContact CG-CD1 3.6Å; R123-I141 HydrophobicContact CG-CG2 4.5Å
124E97Very high94.9Very high135 Ų13559.6 Ų59.663%0.63130%0.299SS*.Hα-helixtrans-63.8-47.1174.4-73.7174.2-173.500111.6P120 E121 N122 T126 A127 E128P120-E124 WeakPolarHBondContact O-CG 3.39Å; P120-E124 PolarHBondContact O-N 3.12Å; E121-E124 WeakPolarHBondContact O-CB 3.32Å; E121-E124 PolarHBondContact O-N 2.94Å; N122-E124 VanDerWaalsContact C-N 3.34Å; E124-T126 VanDerWaalsContact C-N 3.29Å; E124-T126 PolarHBondContact O-N 3.14Å; E124-A127 CarbonylContact O-C 3.48Å; E124-A127 WeakPolarHBondContact O-CA 3.42Å; E124-A127 WeakPolarHBondContact O-CB 3.23Å; E124-A127 PolarHBondContact O-N 3.15Å; E124-E128 PolarHBondContact O-N 2.67Å
125Y97.1Very high95.1Very high116 Ų11663.4 Ų63.446%0.45532%0.32SS..Hα-helixtrans-58.4-40.1175-75.4-54.8000112.8W86 E121 A127 E128 I129W86-Y125 HydrophobicContact CD2-CG 4.47Å; W86-Y125 HydrophobicContact CZ2-CD2 4.34Å; E121-Y125 WeakPolarHBondContact O-CD2 3.23Å; E121-Y125 PolarHBondContact O-N 3.03Å; Y125-A127 VanDerWaalsContact C-N 3.31Å; Y125-A127 PolarHBondContact O-N 2.92Å; Y125-E128 PolarHBondContact O-N 3Å; Y125-I129 WeakPolarHBondContact O-CG1 3.45Å; Y125-I129 PolarHBondContact O-N 3.03Å
126T96.9Very high95.3Very high28 Ų2863 Ų6317%0.17232%0.317CS..Hα-helixtrans-61.2-43.1174.3-56.30000111.1W86 L112 N122 R123 E124 M130 I141W86-T126 WeakPolarHBondContact CH2-OG1 3.34Å; L112-T126 HydrophobicContact CD1-CG2 3.52Å; N122-T126 PolarHBondContact O-N 3.13Å; N122-T126 PolarHBondContact O-OG1 3.04Å; R123-T126 PolarHBondContact O-N 2.91Å; E124-T126 VanDerWaalsContact C-N 3.29Å; E124-T126 PolarHBondContact O-N 3.14Å; T126-M130 WeakPolarHBondContact O-CB 3.32Å; T126-M130 WeakPolarHBondContact O-CG 3.33Å; T126-M130 PolarHBondContact O-N 2.9Å; T126-M130 VanDerWaalsContact O-N 3.16Å; T126-I141 HydrophobicContact CG2-CD1 4.04Å
127A97.5Very high95.8Very high26 Ų2664.6 Ų64.622%0.21533%0.328CS..Hα-helixtrans-68.1-42.3178.400000112.1R123 E124 Y125 M130 F131 L139R123-A127 PolarHBondContact O-N 2.93Å; E124-A127 CarbonylContact O-C 3.48Å; E124-A127 WeakPolarHBondContact O-CA 3.42Å; E124-A127 WeakPolarHBondContact O-CB 3.23Å; E124-A127 PolarHBondContact O-N 3.15Å; Y125-A127 VanDerWaalsContact C-N 3.31Å; Y125-A127 PolarHBondContact O-N 2.92Å; A127-M130 PolarHBondContact O-N 3.42Å; A127-F131 HydrophobicContact CB-CD2 4.26Å; A127-F131 HydrophobicContact CB-CE2 4.42Å; A127-F131 WeakPolarHBondContact O-CB 3.18Å; A127-F131 WeakPolarHBondContact O-CD2 3.37Å; A127-F131 PolarHBondContact O-N 2.67Å; A127-L139 HydrophobicContact CB-CD2 4.03Å
128E97.8Very high96.3Very high96 Ų9661 Ų6145%0.44931%0.311SS..Hα-helixtrans-55.9-53.8176.1-174.7-179.7164.100110.7E124 Y125 M130 F131 E132E124-E128 PolarHBondContact O-N 2.67Å; Y125-E128 PolarHBondContact O-N 3Å; E128-M130 VanDerWaalsContact C-N 3.33Å; E128-M130 PolarHBondContact O-N 2.86Å; E128-F131 PolarHBondContact O-N 3.01Å; E128-E132 HydrophobicContact CG-CG 4.3Å; E128-E132 VanDerWaalsContact O-CB 3.27Å; E128-E132 WeakPolarHBondContact O-CB 3.36Å; E128-E132 PolarHBondContact O-N 3.5Å
129I97.1Very high96.6Very high20 Ų2061.6 Ų61.610%0.10332%0.315CS..Iπ-helixtrans-56.9-46.7177.5-69.3165.7000111.2W86 E90 Y125 S133 F134W86-I129 HydrophobicContact CE3-CD1 3.71Å; W86-I129 HydrophobicContact CZ3-CD1 4.27Å; E90-I129 HydrophobicContact CB-CD1 4.22Å; E90-I129 HydrophobicContact CB-CG2 4.33Å; E90-I129 HydrophobicContact CG-CG2 3.93Å; Y125-I129 WeakPolarHBondContact O-CG1 3.45Å; Y125-I129 PolarHBondContact O-N 3.03Å; I129-S133 WeakPolarHBondContact O-CA 3.1Å; I129-S133 WeakPolarHBondContact O-CB 3.11Å; I129-S133 PolarHBondContact O-N 3Å; I129-S133 VanDerWaalsContact O-N 3.07Å; I129-F134 HydrophobicContact CG2-CD2 3.99Å; I129-F134 HydrophobicContact CG2-CE2 3.53Å; I129-F134 HydrophobicContact CG2-CZ 4.44Å; I129-F134 PolarHBondContact O-N 3.31Å
130M98Very high96.9Very high3 Ų366 Ų662%0.01533%0.326CS..Iπ-helixtrans-68.2-39.2-176.2-68.5-61.1-67.300113M93 F110 L112 T126 A127 E128 F134 N135 V136 L139M93-M130 HydrophobicContact CE-SD 4Å; F110-M130 HydrophobicContact CB-CE 3.75Å; F110-M130 HydrophobicContact CD1-CE 3.53Å; F110-M130 HydrophobicContact CD2-CE 4.04Å; F110-M130 HydrophobicContact CE1-CE 4.1Å; F110-M130 HydrophobicContact CG-CE 3.48Å; F110-M130 VanDerWaalsContact CG-CE 3.48Å; L112-M130 HydrophobicContact CD1-CE 4.35Å; L112-M130 HydrophobicContact CD1-CG 3.85Å; L112-M130 HydrophobicContact CD1-SD 4.1Å; T126-M130 WeakPolarHBondContact O-CB 3.32Å; T126-M130 WeakPolarHBondContact O-CG 3.33Å; T126-M130 PolarHBondContact O-N 2.9Å; T126-M130 VanDerWaalsContact O-N 3.16Å; A127-M130 PolarHBondContact O-N 3.42Å; E128-M130 VanDerWaalsContact C-N 3.33Å; E128-M130 PolarHBondContact O-N 2.86Å; M130-F134 CarbonylContact O-C 3.51Å; M130-F134 HydrophobicContact SD-CD2 3.83Å; M130-F134 HydrophobicContact SD-CE2 4.33Å; M130-N135 PolarHBondContact O-N 3.2Å; M130-V136 HydrophobicContact CB-CG2 4.02Å; M130-V136 HydrophobicContact CE-CG1 3.82Å; M130-V136 WeakPolarHBondContact O-CG2 3.42Å; M130-V136 PolarHBondContact O-N 3.32Å; M130-L139 HydrophobicContact CB-CD1 4.33Å; M130-L139 HydrophobicContact CB-CD2 3.92Å; M130-L139 HydrophobicContact CE-CD1 4.35Å; M130-L139 HydrophobicContact CG-CD1 4.15Å; M130-L139 HydrophobicContact CG-CD2 4.2Å
131F98Very high97Very high93 Ų9364.1 Ų64.141%0.40831%0.312SS..Iπ-helixtrans-84.7-42.9-179-75-60.9000113.2A127 E128 N135 V136 L139A127-F131 HydrophobicContact CB-CD2 4.26Å; A127-F131 HydrophobicContact CB-CE2 4.42Å; A127-F131 WeakPolarHBondContact O-CB 3.18Å; A127-F131 WeakPolarHBondContact O-CD2 3.37Å; A127-F131 PolarHBondContact O-N 2.67Å; E128-F131 PolarHBondContact O-N 3.01Å; F131-N135 VanDerWaalsContact O-CA 3.3Å; F131-N135 WeakPolarHBondContact O-CA 3.45Å; F131-N135 PolarHBondContact O-N 3.16Å; F131-V136 HydrophobicContact CD1-CG2 3.88Å; F131-V136 VanDerWaalsContact CD1-O 3.23Å; F131-V136 WeakPolarHBondContact CD1-O 3.15Å; F131-V136 HydrophobicContact CE1-CG2 3.93Å; F131-V136 WeakPolarHBondContact CE1-O 3.48Å; F131-L139 HydrophobicContact CE1-CB 4.34Å; F131-L139 HydrophobicContact CE2-CB 3.91Å; F131-L139 HydrophobicContact CE2-CD2 4.12Å; F131-L139 HydrophobicContact CZ-CB 3.62Å
132E97.1Very high96.9Very high141 Ų14159.2 Ų59.266%0.65929%0.29SS*.Iπ-helixtrans-87.7-39.8-173.1-57.5-164.8-179.400112.6E128E128-E132 HydrophobicContact CG-CG 4.3Å; E128-E132 VanDerWaalsContact O-CB 3.27Å; E128-E132 WeakPolarHBondContact O-CB 3.36Å; E128-E132 PolarHBondContact O-N 3.5Å
133S95.4Very high96.8Very high60 Ų6059.7 Ų59.742%0.4229%0.293SS..Iπ-helixtrans-85.8-39.6179.6-530000112.5E90 I129E90-S133 VanDerWaalsContact OE1-CB 3.22Å; E90-S133 WeakPolarHBondContact OE1-CB 3.4Å; E90-S133 PolarHBondContact OE1-OG 3.27Å; I129-S133 WeakPolarHBondContact O-CA 3.1Å; I129-S133 WeakPolarHBondContact O-CB 3.11Å; I129-S133 PolarHBondContact O-N 3Å; I129-S133 VanDerWaalsContact O-N 3.07Å
134F96.3Very high96.7Very high14 Ų1456.5 Ų56.56%0.06128%0.283CS..SBendtrans-106.8-2.6-174.6-57.7-55.8000115E90 M93 E94 I97 F98 P105 I129 M130 V136E90-F134 HydrophobicContact CG-CZ 4.46Å; M93-F134 HydrophobicContact CB-CE2 3.88Å; M93-F134 HydrophobicContact CB-CZ 4.11Å; E94-F134 HydrophobicContact CB-CE1 4.07Å; E94-F134 HydrophobicContact CB-CZ 4.1Å; E94-F134 HydrophobicContact CG-CE1 4.41Å; I97-F134 HydrophobicContact CD1-CB 4.49Å; I97-F134 HydrophobicContact CD1-CD1 4.15Å; I97-F134 HydrophobicContact CD1-CD2 3.84Å; I97-F134 HydrophobicContact CD1-CE1 4.36Å; I97-F134 HydrophobicContact CD1-CE2 4.06Å; I97-F134 HydrophobicContact CD1-CG 3.91Å; I97-F134 HydrophobicContact CD1-CZ 4.32Å; F98-F134 HydrophobicContact CE2-CD1 4.17Å; F98-F134 HydrophobicContact CE2-CE1 4.17Å; P105-F134 HydrophobicContact CB-CB 4.22Å; P105-F134 WeakPolarHBondContact CB-O 3.32Å; P105-F134 HydrophobicContact CG-CB 4.4Å; P105-F134 WeakPolarHBondContact CG-O 3.15Å; I129-F134 HydrophobicContact CG2-CD2 3.99Å; I129-F134 HydrophobicContact CG2-CE2 3.53Å; I129-F134 HydrophobicContact CG2-CZ 4.44Å; I129-F134 PolarHBondContact O-N 3.31Å; M130-F134 CarbonylContact O-C 3.51Å; M130-F134 HydrophobicContact SD-CD2 3.83Å; M130-F134 HydrophobicContact SD-CE2 4.33Å; F134-V136 HydrophobicContact CB-CG1 4.22Å; F134-V136 PolarHBondContact O-N 3.21Å
135N97.1Very high96.5Very high89 Ų8950.1 Ų50.148%0.47625%0.253SS..  trans52.835.1177.5-62.5-34.5000114.7E106 M130 F131E106-N135 HydrophobicContact CG-CB 3.84Å; E106-N135 PolarHBondContact OE1-ND2 2.75Å; M130-N135 PolarHBondContact O-N 3.2Å; F131-N135 VanDerWaalsContact O-CA 3.3Å; F131-N135 WeakPolarHBondContact O-CA 3.45Å; F131-N135 PolarHBondContact O-N 3.16Å
136V97.1Very high96.3Very high5 Ų546.1 Ų46.13%0.0324%0.241CC..  trans-65.5136.3-177.9-57.90000111.4P105 F110 M130 F131 F134 G138 L139P105-V136 HydrophobicContact CB-CG1 3.98Å; F110-V136 HydrophobicContact CD2-CB 4.1Å; F110-V136 HydrophobicContact CD2-CG1 3.52Å; F110-V136 HydrophobicContact CE2-CG1 3.7Å; F110-V136 HydrophobicContact CG-CG1 4.31Å; M130-V136 HydrophobicContact CB-CG2 4.02Å; M130-V136 HydrophobicContact CE-CG1 3.82Å; M130-V136 WeakPolarHBondContact O-CG2 3.42Å; M130-V136 PolarHBondContact O-N 3.32Å; F131-V136 HydrophobicContact CD1-CG2 3.88Å; F131-V136 VanDerWaalsContact CD1-O 3.23Å; F131-V136 WeakPolarHBondContact CD1-O 3.15Å; F131-V136 HydrophobicContact CE1-CG2 3.93Å; F131-V136 WeakPolarHBondContact CE1-O 3.48Å; F134-V136 HydrophobicContact CB-CG1 4.22Å; F134-V136 PolarHBondContact O-N 3.21Å; V136-G138 PolarHBondContact O-N 2.99Å; V136-L139 HydrophobicContact CG2-CB 4.28Å
137P96.5Very high96.2Very high61 Ų6147.7 Ų47.740%0.39625%0.247SC..SBendtrans-74.3-11.1-179.432.7-40.8000113.2P105 E106 H108 Y109P105-P137 WeakPolarHBondContact O-CD 3.28Å; E106-P137 WeakPolarHBondContact O-CD 3.4Å; E106-P137 VanDerWaalsContact O-CG 3.26Å; E106-P137 WeakPolarHBondContact O-CG 3.42Å; H108-P137 VanDerWaalsContact O-CD 3.25Å; H108-P137 WeakPolarHBondContact O-CD 3.16Å; H108-P137 WeakPolarHBondContact O-CG 3.45Å; Y109-P137 HydrophobicContact CD1-CB 4.39Å; Y109-P137 HydrophobicContact CD1-CG 3.69Å; Y109-P137 HydrophobicContact CE1-CB 3.79Å; Y109-P137 HydrophobicContact CE1-CG 3.58Å
138G96.4Very high96Very high11 Ų1148.7 Ų48.711%0.11326%0.256CS..  trans-172.1135179.200000112.5F110 V136F110-G138 PolarHBondContact N-O 3.41Å; V136-G138 PolarHBondContact O-N 2.99Å
139L97.9Very high95.8Very high37 Ų3745.1 Ų45.119%0.19424%0.24CC..EExtended strand (participates in β ladder)trans-127.1135-179.5-178.966.5000110.1F110 L112 A127 M130 F131 V136 I141F110-L139 HydrophobicContact CB-CD1 3.91Å; F110-L139 CarbonylContact O-C 3.57Å; F110-L139 WeakPolarHBondContact O-CA 3.37Å; L112-L139 HydrophobicContact CD1-CD1 3.85Å; L112-L139 HydrophobicContact CG-CD1 3.83Å; A127-L139 HydrophobicContact CB-CD2 4.03Å; M130-L139 HydrophobicContact CB-CD1 4.33Å; M130-L139 HydrophobicContact CB-CD2 3.92Å; M130-L139 HydrophobicContact CE-CD1 4.35Å; M130-L139 HydrophobicContact CG-CD1 4.15Å; M130-L139 HydrophobicContact CG-CD2 4.2Å; F131-L139 HydrophobicContact CE1-CB 4.34Å; F131-L139 HydrophobicContact CE2-CB 3.91Å; F131-L139 HydrophobicContact CE2-CD2 4.12Å; F131-L139 HydrophobicContact CZ-CB 3.62Å; V136-L139 HydrophobicContact CG2-CB 4.28Å; L139-I141 HydrophobicContact CD1-CG1 4.48Å; L139-I141 HydrophobicContact CD2-CD1 4.05Å; L139-I141 HydrophobicContact CD2-CG1 4.13Å; L139-I141 HydrophobicContact CG-CG1 4.1Å
140Y97.6Very high95.5Very high148 Ų14845.7 Ų45.758%0.5825%0.247SC*.EExtended strand (participates in β ladder)trans-125.7124.7167.8-175.5-113.2000109.3F110 L111 L112 A142F110-Y140 PolarHBondContact O-N 2.93Å; L111-Y140 CarbonylContact C-O 3.56Å; L111-Y140 VanDerWaalsContact CA-O 3.3Å; L111-Y140 WeakPolarHBondContact CA-O 3.31Å; L111-Y140 HydrophobicContact CD1-CD1 3.91Å; L111-Y140 HydrophobicContact CG-CD1 4.03Å; L112-Y140 PolarHBondContact N-O 2.94Å; Y140-A142 HydrophobicContact CD1-CB 4.06Å; Y140-A142 HydrophobicContact CE1-CB 3.66Å
141I96.9Very high95.2Very high33 Ų3348.3 Ų48.317%0.16927%0.269CS..EExtended strand (participates in β ladder)trans-106.4118176.3-55.2175000107.5L112 E114 R123 T126 L139L112-I141 WeakPolarHBondContact O-CA 3.17Å; E114-I141 HydrophobicContact CB-CG2 4.01Å; E114-I141 HydrophobicContact CG-CG2 3.76Å; R123-I141 HydrophobicContact CG-CD1 3.6Å; R123-I141 HydrophobicContact CG-CG2 4.5Å; T126-I141 HydrophobicContact CG2-CD1 4.04Å; L139-I141 HydrophobicContact CD1-CG1 4.48Å; L139-I141 HydrophobicContact CD2-CD1 4.05Å; L139-I141 HydrophobicContact CD2-CG1 4.13Å; L139-I141 HydrophobicContact CG-CG1 4.1Å
142A95.1Very high94.7Very high5 Ų546.1 Ų46.14%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-112.3141.7-173.300000111.4L111 L112 T113 E114 Y140 Q144 L147L111-A142 HydrophobicContact CD2-CB 4.22Å; L112-A142 PolarHBondContact O-N 3.45Å; T113-A142 CarbonylContact C-O 3.59Å; T113-A142 VanDerWaalsContact CA-O 3.25Å; T113-A142 WeakPolarHBondContact CA-O 3.16Å; E114-A142 PolarHBondContact N-O 2.91Å; Y140-A142 HydrophobicContact CD1-CB 4.06Å; Y140-A142 HydrophobicContact CE1-CB 3.66Å; A142-Q144 PolarHBondContact O-N 3.17Å; A142-L147 HydrophobicContact CB-CD1 3.74Å; A142-L147 HydrophobicContact CB-CD2 4.01Å; A142-L147 HydrophobicContact CB-CG 3.94Å
143V93.3Very high94.3Very high31 Ų3143.4 Ų43.419%0.18825%0.25CC..EExtended strand (participates in β ladder)trans-76.3127.7174.1-177.90000109.9P116 A145 V146 L147 V185P116-V143 HydrophobicContact CB-CG1 3.95Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 HydrophobicContact CG1-CB 4.44Å; V143-A145 PolarHBondContact O-N 3.15Å; V143-A145 VanDerWaalsContact O-N 3.15Å; V143-V146 HydrophobicContact CB-CG2 4.29Å; V143-V146 PolarHBondContact O-N 3.38Å; V143-L147 PolarHBondContact O-N 3.28Å; V143-V185 HydrophobicContact CG1-CG2 4.12Å
144Q93.7Very high93.7Very high35 Ų3546.6 Ų46.616%0.16427%0.267CS..Hα-helixtrans-50.9-41.6-176.5-71.3167-33.900113.3D11 E114 A142 V146 L147 A148D11-Q144 PolarHBondContact OD1-NE2 3.06Å; D11-Q144 VanDerWaalsContact OD1-NE2 3.14Å; E114-Q144 WeakPolarHBondContact O-CG 3.47Å; E114-Q144 PolarHBondContact O-N 3.31Å; E114-Q144 VanDerWaalsContact O-N 3.15Å; A142-Q144 PolarHBondContact O-N 3.17Å; Q144-V146 PolarHBondContact O-N 2.94Å; Q144-L147 PolarHBondContact O-N 3.3Å; Q144-A148 PolarHBondContact O-N 2.89Å
145A93.4Very high93.1Very high1 Ų148.3 Ų48.31%0.00828%0.28CS..Hα-helixtrans-61.1-40.8179.300000113.9V143 L147 A148 L149 V167 I178 V180V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 HydrophobicContact CG1-CB 4.44Å; V143-A145 PolarHBondContact O-N 3.15Å; V143-A145 VanDerWaalsContact O-N 3.15Å; A145-L147 VanDerWaalsContact C-N 3.32Å; A145-L147 PolarHBondContact O-N 2.72Å; A145-A148 PolarHBondContact O-N 3.06Å; A145-L149 PolarHBondContact O-N 3.43Å; A145-L149 VanDerWaalsContact O-N 3.07Å; A145-V167 HydrophobicContact CB-CB 4.03Å; A145-V167 HydrophobicContact CB-CG1 4.27Å; A145-V167 HydrophobicContact CB-CG2 3.98Å; A145-V167 WeakPolarHBondContact O-CG2 3.22Å; A145-I178 HydrophobicContact CB-CB 3.9Å; A145-I178 HydrophobicContact CB-CD1 3.69Å; A145-I178 HydrophobicContact CB-CG1 4.41Å; A145-I178 HydrophobicContact CB-CG2 3.63Å; A145-V180 HydrophobicContact CB-CG2 4.18Å
146V93.8Very high91.8Very high32 Ų3256.3 Ų56.319%0.19430%0.304CS..Hα-helixtrans-67-40.4-180-175.80000109.8V143 Q144 L149 A150 L163 V180 V185V143-V146 HydrophobicContact CB-CG2 4.29Å; V143-V146 PolarHBondContact O-N 3.38Å; Q144-V146 PolarHBondContact O-N 2.94Å; V146-L149 PolarHBondContact O-N 2.85Å; V146-A150 PolarHBondContact O-N 2.86Å; V146-L163 HydrophobicContact CG1-CD1 4.46Å; V146-L163 HydrophobicContact CG1-CD2 4.36Å; V146-V180 HydrophobicContact CG2-CG1 4.32Å; V146-V185 HydrophobicContact CG2-CG2 4.13Å
147L94.7Very high90.8Very high60 Ų6064.9 Ų64.931%0.31434%0.344SS..Hα-helixtrans-65.4-38.5175.3-61.5-178.3000112.4L111 T113 A142 V143 Q144 A145 L149 A150 A151L111-L147 HydrophobicContact CD2-CD1 4.09Å; T113-L147 HydrophobicContact CG2-CD1 3.53Å; A142-L147 HydrophobicContact CB-CD1 3.74Å; A142-L147 HydrophobicContact CB-CD2 4.01Å; A142-L147 HydrophobicContact CB-CG 3.94Å; V143-L147 PolarHBondContact O-N 3.28Å; Q144-L147 PolarHBondContact O-N 3.3Å; A145-L147 VanDerWaalsContact C-N 3.32Å; A145-L147 PolarHBondContact O-N 2.72Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 3.41Å; L147-A150 PolarHBondContact O-N 3.27Å; L147-A151 PolarHBondContact O-N 3.23Å
148A93.6Very high89.7Confident48 Ų4864.8 Ų64.840%0.39734%0.342SS..Hα-helixtrans-62.3-40.2175.700000112Q144 A145 A151 S152 V167Q144-A148 PolarHBondContact O-N 2.89Å; A145-A148 PolarHBondContact O-N 3.06Å; A148-A151 PolarHBondContact O-N 3.01Å; A148-S152 PolarHBondContact O-N 2.85Å; A148-V167 HydrophobicContact CB-CG1 4.03Å
149L92.6Very high88.5Confident21 Ų2168.4 Ų68.411%0.1138%0.38CS..Hα-helixtrans-65.5-42.9172.6-70.9173.3000111.8A145 V146 L147 A151 S152 L163 V167 V180A145-L149 PolarHBondContact O-N 3.43Å; A145-L149 VanDerWaalsContact O-N 3.07Å; V146-L149 PolarHBondContact O-N 2.85Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 3.41Å; L149-A151 VanDerWaalsContact C-N 3.28Å; L149-A151 PolarHBondContact O-N 3.17Å; L149-S152 VanDerWaalsContact O-CB 3.3Å; L149-S152 WeakPolarHBondContact O-CB 3.45Å; L149-S152 PolarHBondContact O-N 3.15Å; L149-S152 PolarHBondContact O-OG 3.2Å; L149-L163 HydrophobicContact CB-CD2 4.36Å; L149-V167 HydrophobicContact CD1-CG2 4.02Å; L149-V167 HydrophobicContact CD2-CG2 3.81Å; L149-V167 HydrophobicContact CG-CG2 3.54Å; L149-V180 HydrophobicContact CD1-CB 3.53Å; L149-V180 HydrophobicContact CD1-CG1 3.95Å; L149-V180 HydrophobicContact CD1-CG2 3.7Å
150A92Very high87.6Confident31 Ų3173.7 Ų73.726%0.25640%0.403SS..Hα-helixtrans-60.7-38.817600000112V146 L147 S152 W153 L163V146-A150 PolarHBondContact O-N 2.86Å; L147-A150 PolarHBondContact O-N 3.27Å; A150-S152 VanDerWaalsContact C-N 3.26Å; A150-S152 PolarHBondContact O-N 2.9Å; A150-W153 HydrophobicContact CB-CE3 4.35Å; A150-W153 HydrophobicContact CB-CZ3 4.34Å; A150-W153 WeakPolarHBondContact O-CB 3.47Å; A150-W153 PolarHBondContact O-N 3.27Å; A150-L163 HydrophobicContact CB-CD2 4.36Å
151A90.4Very high87Confident58 Ų5876.1 Ų76.148%0.47941%0.411SS..Hα-helixtrans-61.8-33.7174.700000112.2L147 A148 L149 W153 T154L147-A151 PolarHBondContact O-N 3.23Å; A148-A151 PolarHBondContact O-N 3.01Å; L149-A151 VanDerWaalsContact C-N 3.28Å; L149-A151 PolarHBondContact O-N 3.17Å; A151-W153 PolarHBondContact O-N 2.88Å; A151-W153 VanDerWaalsContact O-N 3.16Å; A151-T154 WeakPolarHBondContact O-CB 3.45Å; A151-T154 PolarHBondContact O-N 3.33Å; A151-T154 VanDerWaalsContact O-N 3.15Å; A151-T154 PolarHBondContact O-OG1 3.32Å
152S88.5Confident86.6Confident48 Ų4877.2 Ų77.234%0.33642%0.419SS..Hα-helixtrans-61.5-23.1178.5820000113.8A148 L149 A150 T154 S155A148-S152 PolarHBondContact O-N 2.85Å; L149-S152 VanDerWaalsContact O-CB 3.3Å; L149-S152 WeakPolarHBondContact O-CB 3.45Å; L149-S152 PolarHBondContact O-N 3.15Å; L149-S152 PolarHBondContact O-OG 3.2Å; A150-S152 VanDerWaalsContact C-N 3.26Å; A150-S152 PolarHBondContact O-N 2.9Å; S152-T154 PolarHBondContact O-N 2.87Å; S152-T154 VanDerWaalsContact O-N 3.16Å; S152-S155 VanDerWaalsContact O-CB 3.23Å; S152-S155 WeakPolarHBondContact O-CB 3.33Å; S152-S155 PolarHBondContact O-N 3.42Å
153W87.7Confident86.3Confident84 Ų8479.4 Ų79.432%0.31843%0.43SS..THydrogen-bonded Turntrans-65-17.4177.4-60.6-14.6000114.1A150 A151 R161 T162 L163A150-W153 HydrophobicContact CB-CE3 4.35Å; A150-W153 HydrophobicContact CB-CZ3 4.34Å; A150-W153 WeakPolarHBondContact O-CB 3.47Å; A150-W153 PolarHBondContact O-N 3.27Å; A151-W153 PolarHBondContact O-N 2.88Å; A151-W153 VanDerWaalsContact O-N 3.16Å; W153-R161 HydrophobicContact CB-CG 4.11Å; W153-R161 HydrophobicContact CD2-CB 3.96Å; W153-R161 HydrophobicContact CD2-CG 4.16Å; W153-R161 HydrophobicContact CG-CB 4.05Å; W153-R161 HydrophobicContact CG-CG 3.91Å; W153-R161 HydrophobicContact CZ2-CB 4.31Å; W153-T162 PolarHBondContact NE1-O 2.91Å; W153-L163 HydrophobicContact CH2-CD1 4.41Å; W153-L163 HydrophobicContact CH2-CD2 3.68Å; W153-L163 HydrophobicContact CH2-CG 3.92Å; W153-L163 HydrophobicContact CZ2-CD1 4.5Å; W153-L163 HydrophobicContact CZ2-CD2 3.31Å; W153-L163 HydrophobicContact CZ2-CG 3.55Å
154T83.5Confident86.3Confident126 Ų12681.1 Ų81.177%0.77344%0.441SS*.THydrogen-bonded Turntrans-74.6-18.3174.464.90000112.2A151 S152 R156A151-T154 WeakPolarHBondContact O-CB 3.45Å; A151-T154 PolarHBondContact O-N 3.33Å; A151-T154 VanDerWaalsContact O-N 3.15Å; A151-T154 PolarHBondContact O-OG1 3.32Å; S152-T154 PolarHBondContact O-N 2.87Å; S152-T154 VanDerWaalsContact O-N 3.16Å; T154-R156 PolarHBondContact O-N 3.04Å
155S82.7Confident86.3Confident50 Ų5080.6 Ų80.635%0.3545%0.445SS..SBendtrans-70.2128.6178.2-179.20000111.3S152 Q157 V158S152-S155 VanDerWaalsContact O-CB 3.23Å; S152-S155 WeakPolarHBondContact O-CB 3.33Å; S152-S155 PolarHBondContact O-N 3.42Å; S155-Q157 PolarHBondContact O-N 2.8Å; S155-Q157 VanDerWaalsContact O-N 3.12Å; S155-Q157 PolarHBondContact OG-N 3.01Å; S155-V158 PolarHBondContact O-N 3.11Å; S155-V158 VanDerWaalsContact O-N 3.13Å
156R69.9Low86.4Confident257 Ų25784.9 Ų84.997%0.9747%0.471SS*.THydrogen-bonded Turntrans-63.3-17.7178.1-64.7-176-179.5178.10.6113.9T154 V158T154-R156 PolarHBondContact O-N 3.04Å; R156-V158 VanDerWaalsContact C-N 3.33Å
157Q76.2Confident86.4Confident185 Ų18584 Ų8486%0.86447%0.466SS*.THydrogen-bonded Turntrans-82.2-15.2-179.6-64.7178.8-7.400112.5S155 G159S155-Q157 PolarHBondContact O-N 2.8Å; S155-Q157 VanDerWaalsContact O-N 3.12Å; S155-Q157 PolarHBondContact OG-N 3.01Å; Q157-G159 PolarHBondContact O-N 3.05Å
158V75Confident86.5Confident59 Ų5987.1 Ų87.136%0.35848%0.481SS..  trans-92.5103.6-178179.50000108.6S155 R156 E160S155-V158 PolarHBondContact O-N 3.11Å; S155-V158 VanDerWaalsContact O-N 3.13Å; R156-V158 VanDerWaalsContact C-N 3.33Å; V158-E160 WeakPolarHBondContact CG1-O 3.3Å
159G70.3Confident86.4Confident88 Ų8887.5 Ų87.591%0.90748%0.477SS*.  trans-76.3-21.6177.800000114Q157Q157-G159 PolarHBondContact O-N 3.05Å
160E79.4Confident86.5Confident147 Ų14790.1 Ų90.169%0.68750%0.497SS*.SBendtrans-125.5125.6-175.9-171.4172.8-168.200111.1V158 T162V158-E160 WeakPolarHBondContact CG1-O 3.3Å; E160-T162 PolarHBondContact O-N 3.32Å; E160-T162 VanDerWaalsContact O-N 3.16Å
161R85.6Confident86.5Confident199 Ų19990 Ų9075%0.75150%0.499SS*.  trans-82.892.9176.7-65.1-176.6-177.9172.3-0.3109.4W153W153-R161 HydrophobicContact CB-CG 4.11Å; W153-R161 HydrophobicContact CD2-CB 3.96Å; W153-R161 HydrophobicContact CD2-CG 4.16Å; W153-R161 HydrophobicContact CG-CB 4.05Å; W153-R161 HydrophobicContact CG-CG 3.91Å; W153-R161 HydrophobicContact CZ2-CB 4.31Å
162T87.6Confident86.7Confident56 Ų5689.4 Ų89.434%0.34449%0.488SS..  trans-115.2143.9178.1-176.10000111.4W153 E160 T164W153-T162 PolarHBondContact NE1-O 2.91Å; E160-T162 PolarHBondContact O-N 3.32Å; E160-T162 VanDerWaalsContact O-N 3.16Å; T162-T164 VanDerWaalsContact C-N 3.29Å; T162-T164 WeakPolarHBondContact OG1-CB 3.25Å; T162-T164 PolarHBondContact OG1-N 2.98Å
163L89.3Confident86.7Confident51 Ų5187.3 Ų87.327%0.26747%0.474SS..SBendtrans-95.818166.3-65.4178.8000111.5V146 L149 A150 W153 V180 G183V146-L163 HydrophobicContact CG1-CD1 4.46Å; V146-L163 HydrophobicContact CG1-CD2 4.36Å; L149-L163 HydrophobicContact CB-CD2 4.36Å; A150-L163 HydrophobicContact CB-CD2 4.36Å; W153-L163 HydrophobicContact CH2-CD1 4.41Å; W153-L163 HydrophobicContact CH2-CD2 3.68Å; W153-L163 HydrophobicContact CH2-CG 3.92Å; W153-L163 HydrophobicContact CZ2-CD1 4.5Å; W153-L163 HydrophobicContact CZ2-CD2 3.31Å; W153-L163 HydrophobicContact CZ2-CG 3.55Å; L163-V180 VanDerWaalsContact O-CG1 3.22Å; L163-V180 WeakPolarHBondContact O-CG1 3.47Å; L163-G183 PolarHBondContact O-N 3.21Å
164T92.5Very high86.9Confident68 Ų6883.7 Ų83.742%0.41746%0.461SS..  trans-103.6120.9174.2-59.30000109.4T162 V180 E182T162-T164 VanDerWaalsContact C-N 3.29Å; T162-T164 WeakPolarHBondContact OG1-CB 3.25Å; T162-T164 PolarHBondContact OG1-N 2.98Å; T164-V180 CarbonylContact C-O 3.59Å; T164-V180 VanDerWaalsContact CA-O 3.32Å; T164-V180 WeakPolarHBondContact CA-O 3.38Å; T164-E182 PolarHBondContact OG1-N 3.1Å
165G93.3Very high87.4Confident24 Ų2478.5 Ų78.525%0.24743%0.429CS..EExtended strand (participates in β ladder)trans177.3-179.3-178.300000112.6V180G165-V180 PolarHBondContact N-O 2.86Å; G165-V180 PolarHBondContact O-N 3.27Å
166T95.2Very high87.8Confident91 Ų9176.5 Ų76.556%0.55841%0.414SS*.EExtended strand (participates in β ladder)trans-116.3121.9171.2-59.80000108.6V177T166-V177 HydrophobicContact CG2-CG1 3.62Å
167V95.4Very high89.1Confident14 Ų1466 Ų669%0.08538%0.379CS..EExtended strand (participates in β ladder)trans-94.8130.3176.5-178.50000108.7A145 A148 L149 D169 V177 I178A145-V167 HydrophobicContact CB-CB 4.03Å; A145-V167 HydrophobicContact CB-CG1 4.27Å; A145-V167 HydrophobicContact CB-CG2 3.98Å; A145-V167 WeakPolarHBondContact O-CG2 3.22Å; A148-V167 HydrophobicContact CB-CG1 4.03Å; L149-V167 HydrophobicContact CD1-CG2 4.02Å; L149-V167 HydrophobicContact CD2-CG2 3.81Å; L149-V167 HydrophobicContact CG-CG2 3.54Å; V167-D169 HydrophobicContact CG1-CB 4.35Å; V167-V177 CarbonylContact O-C 3.57Å; V167-V177 WeakPolarHBondContact O-CA 3.3Å; V167-I178 HydrophobicContact CB-CB 4.43Å; V167-I178 PolarHBondContact N-O 3.41Å; V167-I178 PolarHBondContact O-N 3.33Å
168I95.4Very high90Very high124 Ų12457.3 Ų57.364%0.63634%0.338SS*.EExtended strand (participates in β ladder)trans-112.5103.7169.2-55.9175.1000106T175 H176 V177I168-T175 HydrophobicContact CG2-CG2 4.46Å; I168-H176 CarbonylContact C-O 3.55Å; I168-H176 WeakPolarHBondContact CA-O 3.43Å; I168-V177 HydrophobicContact CG1-CG1 4.26Å; I168-V177 HydrophobicContact CG1-CG2 4.34Å; I168-V177 HydrophobicContact CG2-CG2 4.45Å
169D92.7Very high91Very high57 Ų5755.4 Ų55.431%0.30533%0.327SS..EExtended strand (participates in β ladder)trans-105.4113.6-179.4-178.821.9000109.4V167 T175 H176V167-D169 HydrophobicContact CG1-CB 4.35Å; D169-T175 CarbonylContact O-C 3.58Å; D169-T175 VanDerWaalsContact O-CA 3.24Å; D169-T175 WeakPolarHBondContact O-CA 3.46Å; D169-H176 PolarHBondContact N-O 3.33Å; D169-H176 PolarHBondContact O-N 3.04Å
170S94.4Very high92.1Very high75 Ų7551.4 Ų51.452%0.52429%0.285SS..EExtended strand (participates in β ladder)trans-110.294.5179175.90000108.7T175S170-T175 PolarHBondContact OG-OG1 3.46Å
171G92.5Very high92.8Very high30 Ų3046.1 Ų46.131%0.30927%0.266SS..  trans-83.6-160.4179.900000113.5V174 A196 G197G171-V174 PolarHBondContact N-O 3.41Å; G171-A196 WeakPolarHBondContact O-CB 3.42Å; G171-G197 PolarHBondContact O-N 2.77Å
172D92.8Very high93.1Very high45 Ų4544.3 Ų44.324%0.24127%0.266CS..SBendtrans-78-41.2174.2-17855.4000112.1A196 G197 R198D172-A196 WeakPolarHBondContact O-CB 3.48Å; D172-G197 PolarHBondContact O-N 3.05Å; D172-R198 WeakPolarHBondContact O-CB 3.38Å; D172-R198 PolarHBondContact O-N 3.33Å; D172-R198 IonicContact OD2-CZ 3.07Å; D172-R198 VanDerWaalsContact OD2-CZ 3.24Å; D172-R198 IonicContact OD2-NE 3.24Å; D172-R198 PolarHBondContact OD2-NE 3.1Å; D172-R198 VanDerWaalsContact OD2-NE 3.13Å; D172-R198 IonicContact OD2-NH2 2.79Å; D172-R198 PolarHBondContact OD2-NH2 3.09Å
173G89.1Confident93.1Very high4 Ų442.7 Ų42.74%0.04126%0.261CS..SBendtrans-106.9-15-17400000116.2H80 A196H80-G173 PolarHBondContact ND1-O 2.88Å; G173-A196 VanDerWaalsContact C-CB 3.47Å
174V92Very high93.1Very high8 Ų848.9 Ų48.95%0.04828%0.282CS..  trans-158148.7-175.858.10000111.1G171 H176 H192G171-V174 PolarHBondContact N-O 3.41Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.01Å; V174-H176 VanDerWaalsContact CG2-CE1 3.49Å; V174-H176 WeakPolarHBondContact CG2-CE1 3.06Å; V174-H192 VanDerWaalsContact CG2-CD2 3.45Å; V174-H192 WeakPolarHBondContact CG2-CD2 3.44Å; V174-H192 WeakPolarHBondContact CG2-NE2 3.19Å
175T93.3Very high93.1Very high17 Ų1747.8 Ų47.810%0.10428%0.275CS..EExtended strand (participates in β ladder)trans-112.5131169.5-58.80000110.4I168 D169 S170 I193 I195I168-T175 HydrophobicContact CG2-CG2 4.46Å; D169-T175 CarbonylContact O-C 3.58Å; D169-T175 VanDerWaalsContact O-CA 3.24Å; D169-T175 WeakPolarHBondContact O-CA 3.46Å; S170-T175 PolarHBondContact OG-OG1 3.46Å; T175-I193 HydrophobicContact CG2-CD1 4.44Å; T175-I193 PolarHBondContact N-O 2.67Å; T175-I193 PolarHBondContact O-N 3.29Å; T175-I195 WeakPolarHBondContact CB-O 3.47Å; T175-I195 PolarHBondContact OG1-O 3.16Å
176H92.9Very high93.1Very high8 Ų850 Ų504%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-119.6139.4178.5-61.7108.4000111.8I168 D169 V174 I178 K191 H192I168-H176 CarbonylContact C-O 3.55Å; I168-H176 WeakPolarHBondContact CA-O 3.43Å; D169-H176 PolarHBondContact N-O 3.33Å; D169-H176 PolarHBondContact O-N 3.04Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.01Å; V174-H176 VanDerWaalsContact CG2-CE1 3.49Å; V174-H176 WeakPolarHBondContact CG2-CE1 3.06Å; H176-I178 HydrophobicContact CB-CD1 3.71Å; H176-I178 HydrophobicContact CB-CG1 3.77Å; H176-K191 WeakPolarHBondContact CA-O 3.27Å; H176-H192 AromaticContact CD2-CD2 3.85Å; H176-H192 AromaticContact NE2-CD2 3.46Å; H176-H192 PolarHBondContact NE2-CD2 3.29Å
177V95.4Very high92.9Very high37 Ų3747.8 Ų47.822%0.22428%0.276CS..EExtended strand (participates in β ladder)trans-110.5115.4165.4-174.40000107.9T166 V167 I168 I190 K191T166-V177 HydrophobicContact CG2-CG1 3.62Å; V167-V177 CarbonylContact O-C 3.57Å; V167-V177 WeakPolarHBondContact O-CA 3.3Å; I168-V177 HydrophobicContact CG1-CG1 4.26Å; I168-V177 HydrophobicContact CG1-CG2 4.34Å; I168-V177 HydrophobicContact CG2-CG2 4.45Å; V177-I190 WeakPolarHBondContact O-CA 3.3Å; V177-K191 HydrophobicContact CB-CB 4.08Å; V177-K191 HydrophobicContact CG2-CB 4.42Å; V177-K191 PolarHBondContact N-O 3.28Å; V177-K191 PolarHBondContact O-N 3.07Å
178I95.6Very high92.8Very high1 Ų152.5 Ų52.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-126.5103.1-166.5-52.4162.8000108.6P116 A145 V167 H176 V180 V185 I190P116-I178 HydrophobicContact CB-CD1 4.23Å; P116-I178 HydrophobicContact CB-CG2 4.36Å; P116-I178 HydrophobicContact CG-CD1 3.52Å; P116-I178 HydrophobicContact CG-CG1 3.94Å; A145-I178 HydrophobicContact CB-CB 3.9Å; A145-I178 HydrophobicContact CB-CD1 3.69Å; A145-I178 HydrophobicContact CB-CG1 4.41Å; A145-I178 HydrophobicContact CB-CG2 3.63Å; V167-I178 HydrophobicContact CB-CB 4.43Å; V167-I178 PolarHBondContact N-O 3.41Å; V167-I178 PolarHBondContact O-N 3.33Å; H176-I178 HydrophobicContact CB-CD1 3.71Å; H176-I178 HydrophobicContact CB-CG1 3.77Å; I178-V180 HydrophobicContact CG2-CG2 4.29Å; I178-V185 HydrophobicContact CG2-CG1 3.62Å; I178-V185 HydrophobicContact CG2-CG2 4.35Å; I178-I190 HydrophobicContact CG2-CG1 4.45Å
179P95.6Very high92.7Very high20 Ų2049.8 Ų49.813%0.1330%0.3CS..EExtended strand (participates in β ladder)trans-75.8131.7170.726-25.7000110.4I186 C189P179-I186 HydrophobicContact CB-CB 4.48Å; P179-I186 HydrophobicContact CG-CB 4.16Å; P179-I186 PolarHBondContact O-N 3.48Å; P179-C189 HydrophobicContact CG-CB 3.38Å
180V95.1Very high92.7Very high4 Ų448 Ų482%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-123.3132.4177.1-169.90000108A145 V146 L149 L163 T164 G165 I178 Y184 V185A145-V180 HydrophobicContact CB-CG2 4.18Å; V146-V180 HydrophobicContact CG2-CG1 4.32Å; L149-V180 HydrophobicContact CD1-CB 3.53Å; L149-V180 HydrophobicContact CD1-CG1 3.95Å; L149-V180 HydrophobicContact CD1-CG2 3.7Å; L163-V180 VanDerWaalsContact O-CG1 3.22Å; L163-V180 WeakPolarHBondContact O-CG1 3.47Å; T164-V180 CarbonylContact C-O 3.59Å; T164-V180 VanDerWaalsContact CA-O 3.32Å; T164-V180 WeakPolarHBondContact CA-O 3.38Å; G165-V180 PolarHBondContact N-O 2.86Å; G165-V180 PolarHBondContact O-N 3.27Å; I178-V180 HydrophobicContact CG2-CG2 4.29Å; V180-Y184 CarbonylContact C-O 3.54Å; V180-Y184 VanDerWaalsContact CA-O 3.31Å; V180-Y184 WeakPolarHBondContact CA-O 3.21Å; V180-Y184 WeakPolarHBondContact CG1-O 3.27Å; V180-V185 HydrophobicContact CG2-CG2 4.35Å
181A94Very high92.7Very high36 Ų3651 Ų5130%0.29830%0.295SS..EExtended strand (participates in β ladder)trans-125121.1173.900000109.2G183 Y184 I186A181-G183 PolarHBondContact O-N 3.34Å; A181-G183 VanDerWaalsContact O-N 3.12Å; A181-Y184 PolarHBondContact N-O 2.91Å; A181-Y184 WeakPolarHBondContact O-CB 3.48Å; A181-Y184 PolarHBondContact O-N 3.49Å; A181-I186 HydrophobicContact CB-CD1 3.91Å; A181-I186 HydrophobicContact CB-CG1 4.3Å
182E90.5Very high92.6Very high160 Ų16054 Ų5475%0.74830%0.3SS*.THydrogen-bonded Turntrans53.234.9178.2-57.2-176.8174.400113T164 Y184T164-E182 PolarHBondContact OG1-N 3.1Å; E182-Y184 VanDerWaalsContact C-N 3.31Å; E182-Y184 PolarHBondContact O-N 2.91Å
183G87.4Confident92.5Very high22 Ų2255.1 Ų55.123%0.22731%0.306CS..THydrogen-bonded Turntrans85.2-6.5-177.400000115.2L163 A181L163-G183 PolarHBondContact O-N 3.21Å; A181-G183 PolarHBondContact O-N 3.34Å; A181-G183 VanDerWaalsContact O-N 3.12Å
184Y90.4Very high92.5Very high182 Ų18258.9 Ų58.971%0.71433%0.329SS*.EExtended strand (participates in β ladder)trans-95.4131175.4-64.1-84.4000111.5V180 A181 E182V180-Y184 CarbonylContact C-O 3.54Å; V180-Y184 VanDerWaalsContact CA-O 3.31Å; V180-Y184 WeakPolarHBondContact CA-O 3.21Å; V180-Y184 WeakPolarHBondContact CG1-O 3.27Å; A181-Y184 PolarHBondContact N-O 2.91Å; A181-Y184 WeakPolarHBondContact O-CB 3.48Å; A181-Y184 PolarHBondContact O-N 3.49Å; E182-Y184 VanDerWaalsContact C-N 3.31Å; E182-Y184 PolarHBondContact O-N 2.91Å
185V92.3Very high92.5Very high44 Ų4463.3 Ų63.327%0.26735%0.351SS..EExtended strand (participates in β ladder)trans-76.1126175178.10000109.7P116 V143 V146 I178 V180 G187 I190P116-V185 HydrophobicContact CB-CG1 4.37Å; V143-V185 HydrophobicContact CG1-CG2 4.12Å; V146-V185 HydrophobicContact CG2-CG2 4.13Å; I178-V185 HydrophobicContact CG2-CG1 3.62Å; I178-V185 HydrophobicContact CG2-CG2 4.35Å; V180-V185 HydrophobicContact CG2-CG2 4.35Å; V185-G187 PolarHBondContact O-N 2.78Å; V185-I190 HydrophobicContact CG1-CD1 3.84Å; V185-I190 HydrophobicContact CG1-CG1 4.25Å
186I93.6Very high92.5Very high71 Ų7162.6 Ų62.636%0.36435%0.347SS..  trans-83.984.9175.6-52.9175.5000108.3P179 A181 S188 C189P179-I186 HydrophobicContact CB-CB 4.48Å; P179-I186 HydrophobicContact CG-CB 4.16Å; P179-I186 PolarHBondContact O-N 3.48Å; A181-I186 HydrophobicContact CB-CD1 3.91Å; A181-I186 HydrophobicContact CB-CG1 4.3Å; I186-S188 VanDerWaalsContact C-N 3.27Å; I186-S188 PolarHBondContact O-N 3.14Å; I186-C189 HydrophobicContact CG2-CB 4.1Å; I186-C189 PolarHBondContact O-N 3.35Å
187G90.1Very high92.5Very high45 Ų4563.3 Ų63.346%0.46436%0.357SS..G310 helixtrans-53.7-38.4-172.700000114.7V185 C189 I190V185-G187 PolarHBondContact O-N 2.78Å; G187-C189 PolarHBondContact O-N 3.36Å; G187-C189 VanDerWaalsContact O-N 3.16Å; G187-I190 WeakPolarHBondContact O-CG1 3.34Å; G187-I190 PolarHBondContact O-N 3.33Å
188S92.9Very high92.4Very high113 Ų11364.5 Ų64.579%0.7936%0.358SS*.G310 helixtrans-65-17.9-179.856.50000114.4I186I186-S188 VanDerWaalsContact C-N 3.27Å; I186-S188 PolarHBondContact O-N 3.14Å
189C93.5Very high92.4Very high66 Ų6667.7 Ų67.745%0.44638%0.375SS..G310 helixtrans-1072.5-177.7-64.40000113.2P179 I186 G187 K191P179-C189 HydrophobicContact CG-CB 3.38Å; I186-C189 HydrophobicContact CG2-CB 4.1Å; I186-C189 PolarHBondContact O-N 3.35Å; G187-C189 PolarHBondContact O-N 3.36Å; G187-C189 VanDerWaalsContact O-N 3.16Å; C189-K191 PolarHBondContact O-N 3.17Å
190I93.8Very high92.3Very high21 Ų2171.1 Ų71.111%0.10839%0.391CS..  trans-62.8131.8175.7-62.6170.6000109.3P116 L117 V177 I178 V185 G187P116-I190 HydrophobicContact CB-CD1 3.88Å; P116-I190 HydrophobicContact CG-CD1 4.29Å; L117-I190 HydrophobicContact CD1-CG2 4.08Å; L117-I190 HydrophobicContact CD2-CD1 3.76Å; L117-I190 HydrophobicContact CG-CD1 4.24Å; L117-I190 HydrophobicContact CG-CG2 4.31Å; V177-I190 WeakPolarHBondContact O-CA 3.3Å; I178-I190 HydrophobicContact CG2-CG1 4.45Å; V185-I190 HydrophobicContact CG1-CD1 3.84Å; V185-I190 HydrophobicContact CG1-CG1 4.25Å; G187-I190 WeakPolarHBondContact O-CG1 3.34Å; G187-I190 PolarHBondContact O-N 3.33Å
191K93.8Very high92.3Very high138 Ų13875 Ų7560%0.642%0.415SS*.EExtended strand (participates in β ladder)trans-109.8123.2168.2-57.7-63-178-174.40109.6H176 V177 C189H176-K191 WeakPolarHBondContact CA-O 3.27Å; V177-K191 HydrophobicContact CB-CB 4.08Å; V177-K191 HydrophobicContact CG2-CB 4.42Å; V177-K191 PolarHBondContact N-O 3.28Å; V177-K191 PolarHBondContact O-N 3.07Å; C189-K191 PolarHBondContact O-N 3.17Å
192H89.5Confident92.3Very high91 Ų9179.8 Ų79.842%0.42143%0.426SS..EExtended strand (participates in β ladder)trans-100.2123.8174173.6-83000109.1V174 H176V174-H192 VanDerWaalsContact CG2-CD2 3.45Å; V174-H192 WeakPolarHBondContact CG2-CD2 3.44Å; V174-H192 WeakPolarHBondContact CG2-NE2 3.19Å; H176-H192 AromaticContact CD2-CD2 3.85Å; H176-H192 AromaticContact NE2-CD2 3.46Å; H176-H192 PolarHBondContact NE2-CD2 3.29Å
193I91.8Very high92.4Very high70 Ų7078.1 Ų78.136%0.35942%0.417SS..EExtended strand (participates in β ladder)trans-117.2111.8178.2-56.4171.7000106.8T175 I195T175-I193 HydrophobicContact CG2-CD1 4.44Å; T175-I193 PolarHBondContact N-O 2.67Å; T175-I193 PolarHBondContact O-N 3.29Å; I193-I195 HydrophobicContact CG2-CB 4.07Å; I193-I195 HydrophobicContact CG2-CG1 4.41Å; I193-I195 PolarHBondContact O-N 3.27Å
194P89Confident92.7Very high82 Ų8281.2 Ų81.253%0.53243%0.427SS..SBendtrans-78.545.4-179.535.6-37000111.3
195I91.2Very high92.8Very high101 Ų10175.9 Ų75.952%0.51841%0.409SS..  trans-139.9128.2176.6-57.9177.6000107T175 I193 D199T175-I195 WeakPolarHBondContact CB-O 3.47Å; T175-I195 PolarHBondContact OG1-O 3.16Å; I193-I195 HydrophobicContact CG2-CB 4.07Å; I193-I195 HydrophobicContact CG2-CG1 4.41Å; I193-I195 PolarHBondContact O-N 3.27Å; I195-D199 WeakPolarHBondContact CA-OD2 3.44Å; I195-D199 HydrophobicContact CG2-CB 4.1Å
196A93.8Very high92.8Very high2 Ų279.2 Ų79.22%0.01742%0.421CS..  trans-154.8-160.4-17500000112.4G171 D172 G173 R198 D199 I200G171-A196 WeakPolarHBondContact O-CB 3.42Å; D172-A196 WeakPolarHBondContact O-CB 3.48Å; G173-A196 VanDerWaalsContact C-CB 3.47Å; A196-R198 VanDerWaalsContact C-N 3.3Å; A196-R198 PolarHBondContact O-N 2.98Å; A196-D199 PolarHBondContact N-OD2 3.42Å; A196-D199 PolarHBondContact O-N 3.47Å; A196-I200 WeakPolarHBondContact O-CG1 3.48Å; A196-I200 PolarHBondContact O-N 2.91Å
197G94.3Very high92.8Very high24 Ų2478.8 Ų78.825%0.24742%0.42CS..Hα-helixtrans-57.4-38.4-175.400000114.3G171 D172 I200 T201G171-G197 PolarHBondContact O-N 2.77Å; D172-G197 PolarHBondContact O-N 3.05Å; G197-I200 PolarHBondContact O-N 2.86Å; G197-T201 PolarHBondContact O-N 3.45Å; G197-T201 PolarHBondContact O-OG1 3.04Å
198R93.4Very high92.9Very high62 Ų6280.4 Ų80.423%0.23442%0.417CS..Hα-helixtrans-67.6-41.2179.9-170175.9-61.5175.8-4112.4D172 A196 I200 T201 Y202D172-R198 WeakPolarHBondContact O-CB 3.38Å; D172-R198 PolarHBondContact O-N 3.33Å; D172-R198 IonicContact OD2-CZ 3.07Å; D172-R198 VanDerWaalsContact OD2-CZ 3.24Å; D172-R198 IonicContact OD2-NE 3.24Å; D172-R198 PolarHBondContact OD2-NE 3.1Å; D172-R198 VanDerWaalsContact OD2-NE 3.13Å; D172-R198 IonicContact OD2-NH2 2.79Å; D172-R198 PolarHBondContact OD2-NH2 3.09Å; A196-R198 VanDerWaalsContact C-N 3.3Å; A196-R198 PolarHBondContact O-N 2.98Å; R198-I200 VanDerWaalsContact C-N 3.33Å; R198-I200 PolarHBondContact O-N 3.18Å; R198-T201 WeakPolarHBondContact O-CB 3.37Å; R198-T201 PolarHBondContact O-N 3.33Å; R198-Y202 HydrophobicContact CG-CD2 3.98Å; R198-Y202 HydrophobicContact CG-CE2 3.46Å; R198-Y202 VanDerWaalsContact CG-CE2 3.46Å; R198-Y202 WeakPolarHBondContact O-CD2 3.27Å; R198-Y202 PolarHBondContact O-N 3.2Å
199D93.6Very high92.7Very high67 Ų6780.5 Ų80.536%0.35840%0.4SS..Hα-helixtrans-64-41.1177.7-55.5-73.6000111.3I195 A196 T201 Y202 F203I195-D199 WeakPolarHBondContact CA-OD2 3.44Å; I195-D199 HydrophobicContact CG2-CB 4.1Å; A196-D199 PolarHBondContact N-OD2 3.42Å; A196-D199 PolarHBondContact O-N 3.47Å; D199-T201 VanDerWaalsContact C-N 3.33Å; D199-Y202 PolarHBondContact O-N 3.05Å; D199-F203 VanDerWaalsContact O-CB 3.31Å; D199-F203 WeakPolarHBondContact O-CB 3.33Å; D199-F203 PolarHBondContact O-N 2.77Å
200I95.1Very high92.5Very high92 Ų9283.1 Ų83.147%0.47241%0.41SS..Hα-helixtrans-63-43.3174.8-63.4168.8000110.2A196 G197 R198 F203 I204A196-I200 WeakPolarHBondContact O-CG1 3.48Å; A196-I200 PolarHBondContact O-N 2.91Å; G197-I200 PolarHBondContact O-N 2.86Å; R198-I200 VanDerWaalsContact C-N 3.33Å; R198-I200 PolarHBondContact O-N 3.18Å; I200-F203 PolarHBondContact O-N 2.87Å; I200-I204 HydrophobicContact CG2-CD1 3.85Å; I200-I204 HydrophobicContact CG2-CG1 4.46Å; I200-I204 WeakPolarHBondContact O-CG1 3.43Å; I200-I204 PolarHBondContact O-N 3.3Å
201T94.8Very high92.1Very high87 Ų8791.8 Ų91.853%0.53444%0.441SS..Hα-helixtrans-59.9-48177.7-58.60000111.2G197 R198 D199 F203 I204 Q205G197-T201 PolarHBondContact O-N 3.45Å; G197-T201 PolarHBondContact O-OG1 3.04Å; R198-T201 WeakPolarHBondContact O-CB 3.37Å; R198-T201 PolarHBondContact O-N 3.33Å; D199-T201 VanDerWaalsContact C-N 3.33Å; T201-F203 PolarHBondContact O-N 3.39Å; T201-I204 PolarHBondContact O-N 3.33Å; T201-Q205 WeakPolarHBondContact O-CB 3.37Å; T201-Q205 PolarHBondContact O-N 2.94Å
202Y93.1Very high91.5Very high135 Ų13590.9 Ų90.953%0.52944%0.439SS..Hα-helixtrans-65.2-38.9177.1-69-38.4000112.8R198 D199 Q205 Q206R198-Y202 HydrophobicContact CG-CD2 3.98Å; R198-Y202 HydrophobicContact CG-CE2 3.46Å; R198-Y202 VanDerWaalsContact CG-CE2 3.46Å; R198-Y202 WeakPolarHBondContact O-CD2 3.27Å; R198-Y202 PolarHBondContact O-N 3.2Å; D199-Y202 PolarHBondContact O-N 3.05Å; Y202-Q205 PolarHBondContact O-N 2.62Å; Y202-Q206 WeakPolarHBondContact O-CB 3.49Å; Y202-Q206 PolarHBondContact O-N 3.36Å
203F94.1Very high90.6Very high126 Ų12694.3 Ų94.355%0.55347%0.466SS*.Hα-helixtrans-61.4-45.6176.2178.9-109.2000111.8D199 I200 T201 Q206 L207D199-F203 VanDerWaalsContact O-CB 3.31Å; D199-F203 WeakPolarHBondContact O-CB 3.33Å; D199-F203 PolarHBondContact O-N 2.77Å; I200-F203 PolarHBondContact O-N 2.87Å; T201-F203 PolarHBondContact O-N 3.39Å; F203-Q206 PolarHBondContact O-N 2.94Å; F203-L207 HydrophobicContact CD1-CD1 3.94Å; F203-L207 HydrophobicContact CE1-CD1 3.4Å; F203-L207 VanDerWaalsContact CE1-CD1 3.4Å; F203-L207 HydrophobicContact CE1-CG 4.26Å; F203-L207 HydrophobicContact CE2-CD1 4.32Å; F203-L207 HydrophobicContact CE2-CG 4.36Å; F203-L207 HydrophobicContact CZ-CD1 3.62Å; F203-L207 HydrophobicContact CZ-CD2 4.4Å; F203-L207 HydrophobicContact CZ-CG 4.13Å; F203-L207 WeakPolarHBondContact O-CG 3.17Å; F203-L207 PolarHBondContact O-N 2.67Å
204I93.6Very high89.6Confident87 Ų8794.4 Ų94.445%0.44649%0.485SS..Hα-helixtrans-65-43.1176.5-67.1169.6000110.7I200 T201 Q206 L207 L208I200-I204 HydrophobicContact CG2-CD1 3.85Å; I200-I204 HydrophobicContact CG2-CG1 4.46Å; I200-I204 WeakPolarHBondContact O-CG1 3.43Å; I200-I204 PolarHBondContact O-N 3.3Å; T201-I204 PolarHBondContact O-N 3.33Å; I204-Q206 VanDerWaalsContact C-N 3.3Å; I204-Q206 PolarHBondContact O-N 2.74Å; I204-L207 PolarHBondContact O-N 3.3Å; I204-L208 HydrophobicContact CG2-CD1 4.02Å; I204-L208 HydrophobicContact CG2-CG 4.35Å; I204-L208 WeakPolarHBondContact O-CG 3.22Å; I204-L208 PolarHBondContact O-N 3.07Å
205Q92.4Very high88.6Confident69 Ų6993.3 Ų93.332%0.32247%0.473SS..Hα-helixtrans-57.9-44.2176.6-175.5-17823.800111.6T201 Y202 L208 R209T201-Q205 WeakPolarHBondContact O-CB 3.37Å; T201-Q205 PolarHBondContact O-N 2.94Å; Y202-Q205 PolarHBondContact O-N 2.62Å; Q205-L208 PolarHBondContact O-N 2.92Å; Q205-R209 VanDerWaalsContact NE2-NH2 3.2Å; Q205-R209 WeakPolarHBondContact O-CG 3.42Å; Q205-R209 PolarHBondContact O-N 3.4Å
206Q91.6Very high87.1Confident114 Ų11495.1 Ų95.153%0.53349%0.492SS..Hα-helixtrans-62.9-47.2176.6-175.9176.8-10.500111.4Y202 F203 I204 L208 R209 D210Y202-Q206 WeakPolarHBondContact O-CB 3.49Å; Y202-Q206 PolarHBondContact O-N 3.36Å; F203-Q206 PolarHBondContact O-N 2.94Å; I204-Q206 VanDerWaalsContact C-N 3.3Å; I204-Q206 PolarHBondContact O-N 2.74Å; Q206-L208 PolarHBondContact O-N 2.94Å; Q206-R209 PolarHBondContact O-N 3.14Å; Q206-D210 VanDerWaalsContact O-CG 3.3Å; Q206-D210 PolarHBondContact O-N 3.23Å
207L92.9Very high86.7Confident63 Ų6399.8 Ų99.833%0.3352%0.516SS..Hα-helixtrans-60.2-34.2177.4-73.9178.2000113.2F203 I204 R211F203-L207 HydrophobicContact CD1-CD1 3.94Å; F203-L207 HydrophobicContact CE1-CD1 3.4Å; F203-L207 VanDerWaalsContact CE1-CD1 3.4Å; F203-L207 HydrophobicContact CE1-CG 4.26Å; F203-L207 HydrophobicContact CE2-CD1 4.32Å; F203-L207 HydrophobicContact CE2-CG 4.36Å; F203-L207 HydrophobicContact CZ-CD1 3.62Å; F203-L207 HydrophobicContact CZ-CD2 4.4Å; F203-L207 HydrophobicContact CZ-CG 4.13Å; F203-L207 WeakPolarHBondContact O-CG 3.17Å; F203-L207 PolarHBondContact O-N 2.67Å; I204-L207 PolarHBondContact O-N 3.3Å; L207-R211 VanDerWaalsContact O-CG 3.29Å; L207-R211 WeakPolarHBondContact O-CG 3.48Å; L207-R211 PolarHBondContact O-N 3.14Å
208L92.1Very high86.3Confident79 Ų79103.8 Ų103.841%0.41453%0.53SS..Hα-helixtrans-69.8-45.4175.8-74.4173.5000111.3I204 Q205 Q206 D210 R211 E212 I215I204-L208 HydrophobicContact CG2-CD1 4.02Å; I204-L208 HydrophobicContact CG2-CG 4.35Å; I204-L208 WeakPolarHBondContact O-CG 3.22Å; I204-L208 PolarHBondContact O-N 3.07Å; Q205-L208 PolarHBondContact O-N 2.92Å; Q206-L208 PolarHBondContact O-N 2.94Å; L208-D210 VanDerWaalsContact C-N 3.28Å; L208-D210 PolarHBondContact O-N 3.18Å; L208-R211 PolarHBondContact O-N 2.77Å; L208-R211 VanDerWaalsContact O-N 3.12Å; L208-E212 PolarHBondContact O-N 3.28Å; L208-I215 HydrophobicContact CB-CD1 3.82Å
209R89.6Confident85.9Confident115 Ų115106.1 Ų106.143%0.43455%0.546SS..Hα-helixtrans-60.5-36.7175.3-73.9176.6175.3174.6-3.2112.8Q205 Q206 R211 I215 P216Q205-R209 VanDerWaalsContact NE2-NH2 3.2Å; Q205-R209 WeakPolarHBondContact O-CG 3.42Å; Q205-R209 PolarHBondContact O-N 3.4Å; Q206-R209 PolarHBondContact O-N 3.14Å; R209-R211 VanDerWaalsContact C-N 3.25Å; R209-R211 PolarHBondContact O-N 3.12Å; R209-I215 HydrophobicContact CG-CG2 4.42Å; R209-P216 VanDerWaalsContact CZ-OXT 3.31Å; R209-P216 PolarHBondContact NE-O 3.17Å; R209-P216 PolarHBondContact NE-OXT 3.46Å; R209-P216 PolarHBondContact NH2-O 3.34Å; R209-P216 PolarHBondContact NH2-OXT 3.35Å
210D89.3Confident85.5Confident120 Ų120108.4 Ų108.464%0.64256%0.557SS**Hα-helixtrans-69.5-23.9178.2-70.5-13.1000112.6Q206 L208Q206-D210 VanDerWaalsContact O-CG 3.3Å; Q206-D210 PolarHBondContact O-N 3.23Å; L208-D210 VanDerWaalsContact C-N 3.28Å; L208-D210 PolarHBondContact O-N 3.18Å
211R86Confident84.9Confident204 Ų204109.4 Ų109.477%0.7756%0.563SS**Hα-helixtrans-99.5-33.9-175.8-71.2178.2-178-165.42.2114.2L207 L208 R209L207-R211 VanDerWaalsContact O-CG 3.29Å; L207-R211 WeakPolarHBondContact O-CG 3.48Å; L207-R211 PolarHBondContact O-N 3.14Å; L208-R211 PolarHBondContact O-N 2.77Å; L208-R211 VanDerWaalsContact O-N 3.12Å; R209-R211 VanDerWaalsContact C-N 3.25Å; R209-R211 PolarHBondContact O-N 3.12Å
212E80.2Confident84.2Confident119 Ų119110.9 Ų110.956%0.55657%0.565SS**  trans-120.6125.1-174.2-68.4-171.8-175.200112.3L208 G214 I215L208-E212 PolarHBondContact O-N 3.28Å; E212-G214 PolarHBondContact O-N 3.28Å; E212-I215 HydrophobicContact CB-CD1 3.77Å; E212-I215 HydrophobicContact CB-CG1 4.02Å; E212-I215 HydrophobicContact CG-CD1 4.36Å; E212-I215 WeakPolarHBondContact OE2-CD1 3.32Å
213V70.8Confident83.6Confident162 Ų162109.2 Ų109.298%0.98257%0.567SS**THydrogen-bonded Turntrans-77108.5174.4-172.60000108.6
214G70.6Confident82.8Confident73 Ų73107.9 Ų107.975%0.75357%0.568SS**THydrogen-bonded Turntrans1241.9174.200000116.1E212 P216E212-G214 PolarHBondContact O-N 3.28Å; G214-P216 WeakPolarHBondContact O-CD 3.26Å
215I68.3Low81.9Confident58 Ų58109.7 Ų109.730%0.29758%0.578SS.*  trans-79.1119.5167.1-59.4-179.4000108.2L208 R209 E212L208-I215 HydrophobicContact CB-CD1 3.82Å; R209-I215 HydrophobicContact CG-CG2 4.42Å; E212-I215 HydrophobicContact CB-CD1 3.77Å; E212-I215 HydrophobicContact CB-CG1 4.02Å; E212-I215 HydrophobicContact CG-CD1 4.36Å; E212-I215 WeakPolarHBondContact OE2-CD1 3.32Å
216P59.1Low80.9Confident140 Ų140113.4 Ų113.491%0.90960%0.602SS**  trans-620-179.213.5-17.7000114.3R209 G214R209-P216 VanDerWaalsContact CZ-OXT 3.31Å; R209-P216 PolarHBondContact NE-O 3.17Å; R209-P216 PolarHBondContact NE-OXT 3.46Å; R209-P216 PolarHBondContact NH2-O 3.34Å; R209-P216 PolarHBondContact NH2-OXT 3.35Å; G214-P216 WeakPolarHBondContact O-CD 3.26Å

Retrieved 216 of 216 residues in 522.1 ms (Link to these results)

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