A0A061IAC9_CRIGR Loading...

PX domain containing 1

AlphaFold DB , UniProt , Accession A0A061IAC9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pxdc1, Length 231 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
1M35.4Very low41.6Very low252 Ų252126.5 Ų126.5100%1.24177%0.765SS**  0106.10-79.9-175.6-99.600107.2
2A35.5Very low42.7Very low108 Ų108126.3 Ų126.389%0.89376%0.764SS**  trans-105.8105.6173.400000106.9
3S43.2Very low45Very low105 Ų105124.2 Ų124.273%0.73475%0.746SS**  trans-87.7108.7169.7178.40000106.4V5S3-V5 PolarHBondContact O-N 3.27Å
4A43.9Very low48.2Very low83 Ų83119.6 Ų119.669%0.68671%0.714SS**  trans-76.5104.7166.300000107F6A4-F6 PolarHBondContact O-N 3.27Å
5V41.9Very low51.3Low123 Ų123115.1 Ų115.175%0.74568%0.681SS**  trans-77.1110.6171.5177.30000106.7S3 E7S3-V5 PolarHBondContact O-N 3.27Å; V5-E7 PolarHBondContact O-N 3.18Å
6F41.1Very low54.1Low162 Ų162108.4 Ų108.471%0.71164%0.642SS**  trans-75.9116.7171-79.7-95.8000109.3A4 L11A4-F6 PolarHBondContact O-N 3.27Å; F6-L11 HydrophobicContact CB-CD1 3.12Å; F6-L11 HydrophobicContact CD1-CD1 3.81Å; F6-L11 HydrophobicContact CD2-CD1 4.07Å; F6-L11 HydrophobicContact CG-CD1 3.42Å; F6-L11 VanDerWaalsContact CG-CD1 3.42Å
7E40.5Very low56.6Low194 Ų194109.8 Ų109.891%0.90763%0.633SS**  trans-95.8122.4174.3-123.5175.6-178.600109.5V5V5-E7 PolarHBondContact O-N 3.18Å
8G40.1Very low58.9Low62 Ų62104.2 Ų104.264%0.63960%0.604SS**SBendtrans109.8106.8169.400000114.6
9T42.9Very low60.9Low130 Ų13098.8 Ų98.880%0.79857%0.573SS**SBendtrans78.5129.3-170.275.50000113.3L11T9-L11 VanDerWaalsContact C-N 3.31Å; T9-L11 PolarHBondContact O-N 3.28Å
10S43.2Very low62.8Low91 Ų9198.4 Ų98.464%0.63656%0.561SS**  trans-64.488.6-179.6-179.40000110.4V12S10-V12 PolarHBondContact O-N 2.9Å
11L49.7Very low64.4Low82 Ų8294.4 Ų94.443%0.42954%0.539SS..G310 helixtrans-57.9-11.7169.5-83.3156.6000112.8F6 T9 N13 M14F6-L11 HydrophobicContact CB-CD1 3.12Å; F6-L11 HydrophobicContact CD1-CD1 3.81Å; F6-L11 HydrophobicContact CD2-CD1 4.07Å; F6-L11 HydrophobicContact CG-CD1 3.42Å; F6-L11 VanDerWaalsContact CG-CD1 3.42Å; T9-L11 VanDerWaalsContact C-N 3.31Å; T9-L11 PolarHBondContact O-N 3.28Å; L11-N13 PolarHBondContact O-N 3.31Å; L11-M14 HydrophobicContact CD2-SD 4.45Å; L11-M14 PolarHBondContact O-N 3.31Å
12V55.3Low67.3Low123 Ų12386.6 Ų86.675%0.74550%0.502SS*.G310 helixtrans-64.6-12.2-176.6-163.10000112.7S10S10-V12 PolarHBondContact O-N 2.9Å
13N72.6Confident70.1Confident100 Ų10082 Ų8254%0.53547%0.466SS..G310 helixtrans-135.421.1-178.5-96.3-31.5000114.9L11 F15 S46 R119L11-N13 PolarHBondContact O-N 3.31Å; N13-F15 VanDerWaalsContact O-CD1 3.23Å; N13-F15 WeakPolarHBondContact O-CD1 3.39Å; N13-S46 PolarHBondContact O-OG 3Å; N13-R119 PolarHBondContact OD1-NH1 3.38Å
14M89.2Confident72.6Confident60 Ų6079.1 Ų79.130%0.29644%0.441SS..  trans-77.5128.2174-167.5159.6141.900110.2L11 W45 S46L11-M14 HydrophobicContact CD2-SD 4.45Å; L11-M14 PolarHBondContact O-N 3.31Å; M14-W45 HydrophobicContact CE-CD2 4.2Å; M14-W45 HydrophobicContact CE-CE3 3.47Å; M14-W45 VanDerWaalsContact CE-CE3 3.47Å; M14-W45 HydrophobicContact CE-CH2 3.9Å; M14-W45 HydrophobicContact CE-CZ3 3.3Å; M14-W45 HydrophobicContact CG-CE3 3.61Å; M14-W45 HydrophobicContact CG-CZ3 3.74Å; M14-W45 HydrophobicContact SD-CE3 4.34Å; M14-W45 HydrophobicContact SD-CZ3 4.37Å; M14-S46 WeakPolarHBondContact CA-OG 3.33Å
15F94.8Very high75Confident51 Ų5179 Ų7922%0.22442%0.423CS..  trans-153.5157.9177.364.9-86.6000111.8N13 R17 W45 S46 R119N13-F15 VanDerWaalsContact O-CD1 3.23Å; N13-F15 WeakPolarHBondContact O-CD1 3.39Å; F15-R17 HydrophobicContact CD2-CG 4.15Å; F15-R17 HydrophobicContact CE2-CG 3.56Å; F15-R17 HydrophobicContact CZ-CG 4.19Å; F15-W45 CarbonylContact O-C 3.59Å; F15-W45 WeakPolarHBondContact O-CA 3.17Å; F15-S46 VanDerWaalsContact CE1-CB 3.5Å; F15-S46 PolarHBondContact N-OG 3.29Å; F15-S46 WeakPolarHBondContact O-CB 2.99Å; F15-S46 PolarHBondContact O-N 2.73Å; F15-R119 HydrophobicContact CB-CG 3.94Å
16V97.1Very high77.4Confident9 Ų980.9 Ų80.96%0.05542%0.417CS..EExtended strand (participates in β ladder)trans-80123.1173.1-176.80000108.9G18 T43 W45 I111 F127V16-G18 WeakPolarHBondContact CG1-O 3.4Å; V16-T43 HydrophobicContact CG1-CG2 4.5Å; V16-W45 HydrophobicContact CG2-CD2 4.07Å; V16-W45 HydrophobicContact CG2-CE3 4.16Å; V16-W45 HydrophobicContact CG2-CH2 4.05Å; V16-W45 HydrophobicContact CG2-CZ2 3.91Å; V16-W45 HydrophobicContact CG2-CZ3 4.15Å; V16-I111 HydrophobicContact CB-CG2 3.99Å; V16-I111 HydrophobicContact CG1-CD1 4.45Å; V16-I111 HydrophobicContact CG1-CG2 4.02Å; V16-F127 HydrophobicContact CB-CD2 4.45Å; V16-F127 HydrophobicContact CG2-CB 3.69Å; V16-F127 HydrophobicContact CG2-CD1 4.49Å; V16-F127 HydrophobicContact CG2-CD2 3.65Å; V16-F127 HydrophobicContact CG2-CE2 4.37Å; V16-F127 HydrophobicContact CG2-CG 3.71Å
17R96.6Very high79.7Confident131 Ų13174.5 Ų74.549%0.49439%0.39SS..EExtended strand (participates in β ladder)trans-85.6-36178.7-78.5-174.3171.1-177.44.6113F15 E44 S46F15-R17 HydrophobicContact CD2-CG 4.15Å; F15-R17 HydrophobicContact CE2-CG 3.56Å; F15-R17 HydrophobicContact CZ-CG 4.19Å; R17-E44 PolarHBondContact N-O 2.74Å; R17-S46 PolarHBondContact NH2-O 3.4Å
18G96.9Very high82Confident10 Ų1070.9 Ų70.910%0.10338%0.376CS..EExtended strand (participates in β ladder)trans-157152.9-177.900000111.4V16 T43 E44V16-G18 WeakPolarHBondContact CG1-O 3.4Å; G18-T43 CarbonylContact O-C 3.57Å; G18-T43 WeakPolarHBondContact O-CA 3.41Å; G18-E44 PolarHBondContact N-O 3.38Å; G18-E44 PolarHBondContact O-N 2.65Å
19C97.2Very high84Confident2 Ų271.6 Ų71.61%0.01437%0.367CS..EExtended strand (participates in β ladder)trans-140.6141.5176.3610000110.2R42 T43 L107 I111 F127C19-R42 CarbonylContact C-O 3.54Å; C19-R42 VanDerWaalsContact CA-O 3.3Å; C19-R42 WeakPolarHBondContact CA-O 3.32Å; C19-T43 HydrophobicContact CB-CG2 4.4Å; C19-L107 HydrophobicContact CB-CB 4.44Å; C19-L107 WeakPolarHBondContact SG-CB 3.42Å; C19-I111 HydrophobicContact CB-CD1 4.45Å; C19-F127 HydrophobicContact CB-CE1 4.48Å
20W98.1Very high85.9Confident90 Ų9067 Ų6734%0.34134%0.34SS..EExtended strand (participates in β ladder)trans-136.8145177.7-59.1-87.2000109.3I41 R42 E44 E104W20-I41 CarbonylContact O-C 3.54Å; W20-I41 WeakPolarHBondContact O-CA 3.07Å; W20-R42 HydrophobicContact CE3-CG 4.36Å; W20-R42 PolarHBondContact N-O 3.41Å; W20-R42 PolarHBondContact O-N 3.38Å; W20-E44 HydrophobicContact CH2-CB 4.26Å; W20-E44 HydrophobicContact CZ3-CB 3.94Å; W20-E104 VanDerWaalsContact CA-OE2 3.31Å; W20-E104 WeakPolarHBondContact CA-OE2 3.29Å
21V98.1Very high87.7Confident14 Ų1475.3 Ų75.39%0.08536%0.358CS..EExtended strand (participates in β ladder)trans-107.9110178.8-164.70000109F39 E40 I41 L100 V103 E104 L107V21-F39 HydrophobicContact CG1-CB 4.07Å; V21-E40 CarbonylContact C-O 3.56Å; V21-I41 HydrophobicContact CG2-CG1 4.48Å; V21-L100 HydrophobicContact CG1-CD2 3.62Å; V21-V103 HydrophobicContact CG1-CG1 4.4Å; V21-V103 HydrophobicContact CG2-CB 4.19Å; V21-V103 HydrophobicContact CG2-CG1 3.81Å; V21-E104 HydrophobicContact CB-CB 4.42Å; V21-E104 HydrophobicContact CG2-CB 3.75Å; V21-E104 HydrophobicContact CG2-CG 4.38Å; V21-E104 PolarHBondContact N-OE2 2.99Å; V21-L107 HydrophobicContact CG2-CD1 4.11Å
22N94.8Very high89.4Confident89 Ų8982.4 Ų82.448%0.47638%0.379SS..EExtended strand (participates in β ladder)trans-85-26.6-170.9-62-21.5000113.1E40N22-E40 HydrophobicContact CB-CB 4.45Å; N22-E40 PolarHBondContact N-O 3.14Å
23G95.4Very high90.8Very high12 Ų1278.5 Ų78.512%0.12436%0.364CS..EExtended strand (participates in β ladder)trans174.4-172.7-169.900000114E40G23-E40 PolarHBondContact O-N 2.91Å
24I95.1Very high91.5Very high43 Ų4378.1 Ų78.122%0.22136%0.361CS..EExtended strand (participates in β ladder)trans-128.6133.5177.5-53.4-172.8000108.4E37 F38 F39 I96 L100I24-E37 HydrophobicContact CG2-CB 3.99Å; I24-E37 HydrophobicContact CG2-CG 4.25Å; I24-F38 CarbonylContact C-O 3.59Å; I24-F38 WeakPolarHBondContact CA-O 3.36Å; I24-F39 HydrophobicContact CD1-CD1 4.05Å; I24-F39 HydrophobicContact CD1-CE1 3.73Å; I24-F39 HydrophobicContact CG1-CD1 3.93Å; I24-F39 HydrophobicContact CG1-CE1 4.14Å; I24-I96 HydrophobicContact CD1-CG2 4.01Å; I24-I96 HydrophobicContact CG1-CG2 4.47Å; I24-L100 HydrophobicContact CD1-CD2 3.92Å; I24-L100 HydrophobicContact CD1-CG 4.37Å; I24-L100 HydrophobicContact CG1-CD2 3.48Å; I24-L100 VanDerWaalsContact CG1-CD2 3.48Å; I24-L100 HydrophobicContact CG1-CG 4.25Å
25R93.4Very high91.6Very high80 Ų8080.1 Ų80.130%0.30237%0.37SS..EExtended strand (participates in β ladder)trans-118.6126.6175.6-171.5170.8-178.6-172.5-5.1110L27 F38 E40R25-L27 HydrophobicContact CG-CD2 3.92Å; R25-L27 HydrophobicContact CG-CG 4.23Å; R25-F38 PolarHBondContact N-O 3.27Å; R25-F38 PolarHBondContact O-N 3.29Å; R25-E40 HydrophobicContact CB-CG 4.21Å
26R93.2Very high91.5Very high164 Ų16480.9 Ų80.962%0.61937%0.374SS*.EExtended strand (participates in β ladder)trans-90.1130.2170.9-79.5172.168.8175.95.3109.8E35 E36 E37R26-E35 IonicContact CZ-OE2 2.96Å; R26-E35 IonicContact NE-OE2 3.26Å; R26-E35 PolarHBondContact NE-OE2 2.83Å; R26-E35 IonicContact NH2-OE2 2.88Å; R26-E35 PolarHBondContact NH2-OE2 3.28Å; R26-E36 WeakPolarHBondContact CA-O 3.47Å; R26-E37 HydrophobicContact CG-CG 3.63Å
27L89.6Confident91.4Very high27 Ų2784 Ų8414%0.14139%0.388CS..EExtended strand (participates in β ladder)trans-129.4143.1-180-60.2176.3000110R25 V29 E35 E36 F38 L132 L136R25-L27 HydrophobicContact CG-CD2 3.92Å; R25-L27 HydrophobicContact CG-CG 4.23Å; L27-V29 HydrophobicContact CB-CG1 4.47Å; L27-V29 PolarHBondContact O-N 3.21Å; L27-E35 CarbonylContact O-C 3.57Å; L27-E35 VanDerWaalsContact O-CA 3.3Å; L27-E35 WeakPolarHBondContact O-CA 3.41Å; L27-E36 PolarHBondContact N-O 3.38Å; L27-E36 PolarHBondContact O-N 3.49Å; L27-F38 HydrophobicContact CB-CD2 4.16Å; L27-F38 HydrophobicContact CB-CE2 4.02Å; L27-F38 HydrophobicContact CD1-CD2 3.67Å; L27-F38 HydrophobicContact CD1-CE2 3.88Å; L27-F38 HydrophobicContact CD1-CG 4.32Å; L27-F38 HydrophobicContact CG-CD2 3.99Å; L27-F38 HydrophobicContact CG-CE2 4.29Å; L27-L132 HydrophobicContact CD1-CD1 4.04Å; L27-L132 HydrophobicContact CD1-CD2 4.29Å; L27-L136 HydrophobicContact CD1-CD1 3.82Å; L27-L136 HydrophobicContact CD1-CD2 4.38Å; L27-L136 HydrophobicContact CD2-CD2 4.42Å
28I87.8Confident91.4Very high119 Ų11978.4 Ų78.461%0.6137%0.368SS*.EExtended strand (participates in β ladder)trans-78.6115.1169.9-59.8169.3000107.6S30 D34 E35I28-S30 WeakPolarHBondContact CG2-O 3.33Å; I28-D34 CarbonylContact C-O 3.53Å; I28-D34 WeakPolarHBondContact CA-O 3.21Å; I28-E35 HydrophobicContact CG1-CG 3.98Å
29V83.9Confident91.4Very high76 Ų7678.1 Ų78.146%0.46136%0.364SS..  trans-105.8-9.4-173.6-66.40000113.5L27 D34 E36 F38L27-V29 HydrophobicContact CB-CG1 4.47Å; L27-V29 PolarHBondContact O-N 3.21Å; V29-D34 WeakPolarHBondContact CG2-O 3.39Å; V29-D34 PolarHBondContact N-O 3.14Å; V29-E36 HydrophobicContact CB-CB 4.46Å; V29-E36 HydrophobicContact CG1-CB 3.8Å; V29-E36 HydrophobicContact CG2-CB 3.79Å; V29-F38 HydrophobicContact CG1-CE2 3.85Å; V29-F38 HydrophobicContact CG1-CZ 4.02Å
30S81.3Confident91.4Very high34 Ų3481 Ų8124%0.23838%0.377CS..SBendtrans-127.2153.4178.295.70000112.5I28 R32 G33 D34I28-S30 WeakPolarHBondContact CG2-O 3.33Å; S30-R32 PolarHBondContact O-N 3.34Å; S30-R32 VanDerWaalsContact O-N 3.12Å; S30-R32 PolarHBondContact OG-N 3.22Å; S30-R32 VanDerWaalsContact OG-N 3.11Å; S30-G33 PolarHBondContact O-N 3.16Å; S30-G33 PolarHBondContact OG-N 3.2Å; S30-D34 VanDerWaalsContact CB-OD2 3.25Å; S30-D34 WeakPolarHBondContact CB-OD2 3.25Å; S30-D34 VanDerWaalsContact OG-CB 3.31Å; S30-D34 WeakPolarHBondContact OG-CB 3.36Å; S30-D34 PolarHBondContact OG-N 3.38Å; S30-D34 VanDerWaalsContact OG-N 3.1Å; S30-D34 PolarHBondContact OG-OD2 3.34Å
31R81.1Confident91.4Very high266 Ų26676.8 Ų76.8100%1.00436%0.361SS*.THydrogen-bonded Turntrans-62-16.5172.2-65.2-173.7-178.3-175.70.4113.1G33R31-G33 VanDerWaalsContact C-N 3.29Å
32R86.6Confident91.4Very high231 Ų23179.1 Ų79.187%0.87237%0.368SS*.THydrogen-bonded Turntrans-86.3-3.6178.2-61-178.3177.9-170.2-1.3112.4S30S30-R32 PolarHBondContact O-N 3.34Å; S30-R32 VanDerWaalsContact O-N 3.12Å; S30-R32 PolarHBondContact OG-N 3.22Å; S30-R32 VanDerWaalsContact OG-N 3.11Å
33G84.6Confident91.6Very high41 Ų4174.9 Ų74.942%0.42335%0.345SS..  trans88.316.4-177.800000113.7S30 R31 E35S30-G33 PolarHBondContact O-N 3.16Å; S30-G33 PolarHBondContact OG-N 3.2Å; R31-G33 VanDerWaalsContact C-N 3.29Å; G33-E35 PolarHBondContact O-N 3.43Å
34D86.8Confident91.7Very high91 Ų9177.1 Ų77.149%0.48735%0.353SS..  trans-66.7130.9175.6-56.4-51.9000109.4I28 V29 S30I28-D34 CarbonylContact C-O 3.53Å; I28-D34 WeakPolarHBondContact CA-O 3.21Å; V29-D34 WeakPolarHBondContact CG2-O 3.39Å; V29-D34 PolarHBondContact N-O 3.14Å; S30-D34 VanDerWaalsContact CB-OD2 3.25Å; S30-D34 WeakPolarHBondContact CB-OD2 3.25Å; S30-D34 VanDerWaalsContact OG-CB 3.31Å; S30-D34 WeakPolarHBondContact OG-CB 3.36Å; S30-D34 PolarHBondContact OG-N 3.38Å; S30-D34 VanDerWaalsContact OG-N 3.1Å; S30-D34 PolarHBondContact OG-OD2 3.34Å
35E90.7Very high91.8Very high102 Ų10275.1 Ų75.148%0.47734%0.342SS..EExtended strand (participates in β ladder)trans-102.4142.6178.3-67.6-176.8-16500111.5R26 L27 I28 G33R26-E35 IonicContact CZ-OE2 2.96Å; R26-E35 IonicContact NE-OE2 3.26Å; R26-E35 PolarHBondContact NE-OE2 2.83Å; R26-E35 IonicContact NH2-OE2 2.88Å; R26-E35 PolarHBondContact NH2-OE2 3.28Å; L27-E35 CarbonylContact O-C 3.57Å; L27-E35 VanDerWaalsContact O-CA 3.3Å; L27-E35 WeakPolarHBondContact O-CA 3.41Å; I28-E35 HydrophobicContact CG1-CG 3.98Å; G33-E35 PolarHBondContact O-N 3.43Å
36E92.8Very high91.9Very high67 Ų6772.5 Ų72.531%0.31334%0.336SS..EExtended strand (participates in β ladder)trans-129142.5174.3-174.4168.1-165.600110.5R26 L27 V29 F38 S56R26-E36 WeakPolarHBondContact CA-O 3.47Å; L27-E36 PolarHBondContact N-O 3.38Å; L27-E36 PolarHBondContact O-N 3.49Å; V29-E36 HydrophobicContact CB-CB 4.46Å; V29-E36 HydrophobicContact CG1-CB 3.8Å; V29-E36 HydrophobicContact CG2-CB 3.79Å; E36-F38 HydrophobicContact CB-CE2 3.82Å; E36-F38 HydrophobicContact CB-CZ 4.3Å; E36-F38 HydrophobicContact CG-CE2 3.89Å; E36-F38 HydrophobicContact CG-CZ 4.04Å; E36-S56 WeakPolarHBondContact OE1-CB 3.4Å
37E94.6Very high92Very high75 Ų7569.4 Ų69.435%0.3533%0.332SS..EExtended strand (participates in β ladder)trans-90131.4176.1-69.9-174.6137.400110.8I24 R26 R99I24-E37 HydrophobicContact CG2-CB 3.99Å; I24-E37 HydrophobicContact CG2-CG 4.25Å; R26-E37 HydrophobicContact CG-CG 3.63Å; E37-R99 VanDerWaalsContact CD-NH2 3.29Å; E37-R99 IonicContact OE1-NH1 3.96Å; E37-R99 IonicContact OE1-NH2 3.67Å; E37-R99 PolarHBondContact OE1-NH2 3.43Å; E37-R99 IonicContact OE2-CZ 3.92Å; E37-R99 VanDerWaalsContact OE2-CZ 3.26Å; E37-R99 IonicContact OE2-NH1 3.06Å; E37-R99 PolarHBondContact OE2-NH1 3.31Å; E37-R99 IonicContact OE2-NH2 2.75Å; E37-R99 PolarHBondContact OE2-NH2 3.01Å
38F96.9Very high92.2Very high14 Ų1477.5 Ų77.56%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-120132.3175.5-65.9-94.1000110.3I24 R25 L27 V29 E36 H54 L132I24-F38 CarbonylContact C-O 3.59Å; I24-F38 WeakPolarHBondContact CA-O 3.36Å; R25-F38 PolarHBondContact N-O 3.27Å; R25-F38 PolarHBondContact O-N 3.29Å; L27-F38 HydrophobicContact CB-CD2 4.16Å; L27-F38 HydrophobicContact CB-CE2 4.02Å; L27-F38 HydrophobicContact CD1-CD2 3.67Å; L27-F38 HydrophobicContact CD1-CE2 3.88Å; L27-F38 HydrophobicContact CD1-CG 4.32Å; L27-F38 HydrophobicContact CG-CD2 3.99Å; L27-F38 HydrophobicContact CG-CE2 4.29Å; V29-F38 HydrophobicContact CG1-CE2 3.85Å; V29-F38 HydrophobicContact CG1-CZ 4.02Å; E36-F38 HydrophobicContact CB-CE2 3.82Å; E36-F38 HydrophobicContact CB-CZ 4.3Å; E36-F38 HydrophobicContact CG-CE2 3.89Å; E36-F38 HydrophobicContact CG-CZ 4.04Å; F38-H54 HydrophobicContact CB-CB 4.06Å; F38-H54 HydrophobicContact CD1-CB 4.24Å; F38-H54 HydrophobicContact CG-CB 4.4Å; F38-L132 HydrophobicContact CD1-CD2 3.77Å; F38-L132 HydrophobicContact CE1-CD2 3.52Å; F38-L132 HydrophobicContact CG-CD2 4.39Å; F38-L132 HydrophobicContact CZ-CD2 3.94Å
39F97.9Very high92.5Very high4 Ų473.6 Ų73.62%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-76.7129.7169.3-57.3-69.6000109.7V21 I24 I41 H54 R55 F57 L60 I90 R99 L100 V103V21-F39 HydrophobicContact CG1-CB 4.07Å; I24-F39 HydrophobicContact CD1-CD1 4.05Å; I24-F39 HydrophobicContact CD1-CE1 3.73Å; I24-F39 HydrophobicContact CG1-CD1 3.93Å; I24-F39 HydrophobicContact CG1-CE1 4.14Å; F39-I41 HydrophobicContact CB-CD1 4.47Å; F39-I41 HydrophobicContact CB-CG1 4.26Å; F39-H54 WeakPolarHBondContact O-CA 3.45Å; F39-R55 VanDerWaalsContact CD2-O 3.25Å; F39-R55 WeakPolarHBondContact CD2-O 3.42Å; F39-R55 PolarHBondContact N-O 3.49Å; F39-R55 PolarHBondContact O-N 3.48Å; F39-R55 VanDerWaalsContact O-N 3.09Å; F39-F57 HydrophobicContact CE2-CB 4.32Å; F39-L60 HydrophobicContact CD2-CD1 4.13Å; F39-L60 HydrophobicContact CE2-CD1 3.98Å; F39-I90 HydrophobicContact CZ-CG2 4.27Å; F39-R99 HydrophobicContact CE1-CG 4.28Å; F39-R99 HydrophobicContact CZ-CG 4.44Å; F39-L100 HydrophobicContact CD1-CD2 4.01Å; F39-V103 HydrophobicContact CB-CG1 4.46Å; F39-V103 HydrophobicContact CD1-CG2 3.93Å; F39-V103 HydrophobicContact CD2-CG1 4.28Å; F39-V103 HydrophobicContact CD2-CG2 4.07Å; F39-V103 HydrophobicContact CE1-CG2 3.66Å; F39-V103 HydrophobicContact CE2-CG2 3.81Å; F39-V103 HydrophobicContact CG-CG1 4.18Å; F39-V103 HydrophobicContact CG-CG2 4.14Å; F39-V103 HydrophobicContact CZ-CG2 3.6Å
40E97.4Very high93.1Very high62 Ų6272.2 Ų72.229%0.2934%0.335SS..EExtended strand (participates in β ladder)trans-86.5107.4175.2-63.4-174.7144.300109.2V21 N22 G23 R25 L53 H54V21-E40 CarbonylContact C-O 3.56Å; N22-E40 HydrophobicContact CB-CB 4.45Å; N22-E40 PolarHBondContact N-O 3.14Å; G23-E40 PolarHBondContact O-N 2.91Å; R25-E40 HydrophobicContact CB-CG 4.21Å; E40-L53 CarbonylContact C-O 3.56Å; E40-L53 WeakPolarHBondContact CA-O 3.31Å; E40-H54 IonicContact OE1-NE2 2.78Å
41I98.4Very high93.8Very high1 Ų171.3 Ų71.31%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-110.6123.1-172-57.9162.8000109W20 V21 F39 T43 Y52 L53 R55 L107W20-I41 CarbonylContact O-C 3.54Å; W20-I41 WeakPolarHBondContact O-CA 3.07Å; V21-I41 HydrophobicContact CG2-CG1 4.48Å; F39-I41 HydrophobicContact CB-CD1 4.47Å; F39-I41 HydrophobicContact CB-CG1 4.26Å; I41-T43 HydrophobicContact CG2-CG2 3.9Å; I41-Y52 CarbonylContact O-C 3.58Å; I41-Y52 WeakPolarHBondContact O-CA 3.23Å; I41-L53 HydrophobicContact CB-CB 4.33Å; I41-L53 PolarHBondContact N-O 3.33Å; I41-L53 PolarHBondContact O-N 3.03Å; I41-R55 HydrophobicContact CD1-CB 3.79Å; I41-R55 HydrophobicContact CD1-CG 3.77Å; I41-L107 HydrophobicContact CD1-CD1 3.67Å; I41-L107 HydrophobicContact CG1-CD1 4Å; I41-L107 HydrophobicContact CG2-CD1 3.99Å
42R98Very high94.5Very high64 Ų6465 Ų6524%0.24231%0.305CS..EExtended strand (participates in β ladder)trans-92.3130.4166.6-179.3-177.1178.8-84.5-2.5108.9C19 W20 V50 L51 Y52C19-R42 CarbonylContact C-O 3.54Å; C19-R42 VanDerWaalsContact CA-O 3.3Å; C19-R42 WeakPolarHBondContact CA-O 3.32Å; W20-R42 HydrophobicContact CE3-CG 4.36Å; W20-R42 PolarHBondContact N-O 3.41Å; W20-R42 PolarHBondContact O-N 3.38Å; R42-V50 HydrophobicContact CG-CG1 3.81Å; R42-L51 CarbonylContact C-O 3.55Å; R42-L51 WeakPolarHBondContact CA-O 3.25Å; R42-Y52 HydrophobicContact CB-CD1 4.25Å; R42-Y52 HydrophobicContact CB-CE1 4.13Å; R42-Y52 HydrophobicContact CG-CD1 4.43Å; R42-Y52 HydrophobicContact CG-CE1 4Å
43T98.1Very high95Very high0 Ų054.1 Ų54.10%026%0.264CS..EExtended strand (participates in β ladder)trans-123.2142.2174.963.10000111.2V16 G18 C19 I41 W45 V50 L51 L53 F127V16-T43 HydrophobicContact CG1-CG2 4.5Å; G18-T43 CarbonylContact O-C 3.57Å; G18-T43 WeakPolarHBondContact O-CA 3.41Å; C19-T43 HydrophobicContact CB-CG2 4.4Å; I41-T43 HydrophobicContact CG2-CG2 3.9Å; T43-W45 PolarHBondContact OG1-NE1 3.09Å; T43-V50 VanDerWaalsContact O-CA 3.26Å; T43-V50 WeakPolarHBondContact O-CA 3.36Å; T43-L51 PolarHBondContact N-O 2.78Å; T43-L51 PolarHBondContact O-N 3.3Å; T43-L51 WeakPolarHBondContact OG1-CB 3.38Å; T43-L53 HydrophobicContact CG2-CD1 3.77Å; T43-F127 HydrophobicContact CG2-CD1 3.55Å; T43-F127 HydrophobicContact CG2-CE1 4.01Å; T43-F127 HydrophobicContact CG2-CG 4.44Å
44E98Very high95.6Very high59 Ų5953 Ų5328%0.27625%0.248SC..EExtended strand (participates in β ladder)trans-108.6131.5167-176.2-179.1158.700109.8R17 G18 W20 S49R17-E44 PolarHBondContact N-O 2.74Å; G18-E44 PolarHBondContact N-O 3.38Å; G18-E44 PolarHBondContact O-N 2.65Å; W20-E44 HydrophobicContact CH2-CB 4.26Å; W20-E44 HydrophobicContact CZ3-CB 3.94Å; E44-S49 WeakPolarHBondContact CA-O 3.31Å
45W97Very high96.1Very high1 Ų149.2 Ų49.20%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-101.9167.7-178.8-71.574.4000112.4M14 F15 V16 T43 D47 R48 S49 L51 L124 F127 E128M14-W45 HydrophobicContact CE-CD2 4.2Å; M14-W45 HydrophobicContact CE-CE3 3.47Å; M14-W45 VanDerWaalsContact CE-CE3 3.47Å; M14-W45 HydrophobicContact CE-CH2 3.9Å; M14-W45 HydrophobicContact CE-CZ3 3.3Å; M14-W45 HydrophobicContact CG-CE3 3.61Å; M14-W45 HydrophobicContact CG-CZ3 3.74Å; M14-W45 HydrophobicContact SD-CE3 4.34Å; M14-W45 HydrophobicContact SD-CZ3 4.37Å; F15-W45 CarbonylContact O-C 3.59Å; F15-W45 WeakPolarHBondContact O-CA 3.17Å; V16-W45 HydrophobicContact CG2-CD2 4.07Å; V16-W45 HydrophobicContact CG2-CE3 4.16Å; V16-W45 HydrophobicContact CG2-CH2 4.05Å; V16-W45 HydrophobicContact CG2-CZ2 3.91Å; V16-W45 HydrophobicContact CG2-CZ3 4.15Å; T43-W45 PolarHBondContact OG1-NE1 3.09Å; W45-D47 VanDerWaalsContact CB-OD1 3.24Å; W45-D47 WeakPolarHBondContact CB-OD1 3.44Å; W45-D47 PolarHBondContact O-N 2.82Å; W45-R48 WeakPolarHBondContact O-CA 3.49Å; W45-R48 PolarHBondContact O-N 3.48Å; W45-S49 WeakPolarHBondContact CB-OG 3.04Å; W45-S49 PolarHBondContact N-O 3.16Å; W45-L51 HydrophobicContact CZ2-CD1 3.98Å; W45-L124 HydrophobicContact CH2-CD2 4.44Å; W45-L124 HydrophobicContact CZ3-CD2 4.02Å; W45-F127 HydrophobicContact CH2-CB 4.12Å; W45-F127 HydrophobicContact CZ2-CB 3.6Å; W45-F127 WeakPolarHBondContact CZ2-O 3.26Å; W45-E128 HydrophobicContact CH2-CG 4.24Å
46S95.8Very high96.4Very high25 Ų2544.4 Ų44.418%0.17520%0.204CC..THydrogen-bonded Turntrans-58.8-26.5-179.354.50000114.7N13 M14 F15 R17 R48N13-S46 PolarHBondContact O-OG 3Å; M14-S46 WeakPolarHBondContact CA-OG 3.33Å; F15-S46 VanDerWaalsContact CE1-CB 3.5Å; F15-S46 PolarHBondContact N-OG 3.29Å; F15-S46 WeakPolarHBondContact O-CB 2.99Å; F15-S46 PolarHBondContact O-N 2.73Å; R17-S46 PolarHBondContact NH2-O 3.4Å; S46-R48 VanDerWaalsContact C-N 3.26Å
47D94.3Very high96.7Very high98 Ų9845.1 Ų45.152%0.52421%0.206SC..THydrogen-bonded Turntrans-86.56.7174.870.1-17.2000113.2W45 S49W45-D47 VanDerWaalsContact CB-OD1 3.24Å; W45-D47 WeakPolarHBondContact CB-OD1 3.44Å; W45-D47 PolarHBondContact O-N 2.82Å; D47-S49 PolarHBondContact O-N 2.9Å; D47-S49 WeakPolarHBondContact OD1-CB 3.03Å; D47-S49 PolarHBondContact OD1-N 3.42Å; D47-S49 PolarHBondContact OD1-OG 3.15Å; D47-S49 PolarHBondContact OD2-OG 3.15Å
48R94Very high96.8Very high197 Ų19743.5 Ų43.574%0.74321%0.206SC*.SBendtrans67.89.8-174.1-42.1-179.1-158.6-169.84114.1W45 S46W45-R48 WeakPolarHBondContact O-CA 3.49Å; W45-R48 PolarHBondContact O-N 3.48Å; S46-R48 VanDerWaalsContact C-N 3.26Å
49S94.4Very high96.8Very high37 Ų3744.6 Ų44.626%0.25921%0.213SC..  trans-68.2144.2171.9700000110.3E44 W45 D47E44-S49 WeakPolarHBondContact CA-O 3.31Å; W45-S49 WeakPolarHBondContact CB-OG 3.04Å; W45-S49 PolarHBondContact N-O 3.16Å; D47-S49 PolarHBondContact O-N 2.9Å; D47-S49 WeakPolarHBondContact OD1-CB 3.03Å; D47-S49 PolarHBondContact OD1-N 3.42Å; D47-S49 PolarHBondContact OD1-OG 3.15Å; D47-S49 PolarHBondContact OD2-OG 3.15Å
50V96.3Very high96.8Very high47 Ų4744.4 Ų44.429%0.28521%0.212SC..EExtended strand (participates in β ladder)trans-114.3126.6177.5-1800000109R42 T43 Y52R42-V50 HydrophobicContact CG-CG1 3.81Å; T43-V50 VanDerWaalsContact O-CA 3.26Å; T43-V50 WeakPolarHBondContact O-CA 3.36Å; V50-Y52 HydrophobicContact CG1-CD2 4.5Å; V50-Y52 HydrophobicContact CG1-CE2 3.89Å
51L95.8Very high96.8Very high15 Ų1542.7 Ų42.78%0.07921%0.211CC..EExtended strand (participates in β ladder)trans-114.1149.2174.5-44.2-177.7000109.8R42 T43 W45 L53 F127 R129R42-L51 CarbonylContact C-O 3.55Å; R42-L51 WeakPolarHBondContact CA-O 3.25Å; T43-L51 PolarHBondContact N-O 2.78Å; T43-L51 PolarHBondContact O-N 3.3Å; T43-L51 WeakPolarHBondContact OG1-CB 3.38Å; W45-L51 HydrophobicContact CZ2-CD1 3.98Å; L51-L53 HydrophobicContact CB-CD2 3.96Å; L51-L53 HydrophobicContact CB-CG 4.33Å; L51-L53 HydrophobicContact CD1-CD2 4.45Å; L51-F127 WeakPolarHBondContact CD1-O 3.49Å; L51-R129 HydrophobicContact CD1-CG 4.43Å; L51-R129 HydrophobicContact CD2-CG 4.47Å; L51-R129 VanDerWaalsContact CD2-NH2 3.29Å
52Y96.1Very high96.7Very high135 Ų13548.8 Ų48.853%0.52923%0.234SC..EExtended strand (participates in β ladder)trans-117.7122.3170.9-66.3-93.6000106.6I41 R42 V50I41-Y52 CarbonylContact O-C 3.58Å; I41-Y52 WeakPolarHBondContact O-CA 3.23Å; R42-Y52 HydrophobicContact CB-CD1 4.25Å; R42-Y52 HydrophobicContact CB-CE1 4.13Å; R42-Y52 HydrophobicContact CG-CD1 4.43Å; R42-Y52 HydrophobicContact CG-CE1 4Å; V50-Y52 HydrophobicContact CG1-CD2 4.5Å; V50-Y52 HydrophobicContact CG1-CE2 3.89Å
53L97.6Very high96.6Very high1 Ų146.1 Ų46.11%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-126.2153.4-169.1-48.9173.7000110E40 I41 T43 L51 F127 R129 D133E40-L53 CarbonylContact C-O 3.56Å; E40-L53 WeakPolarHBondContact CA-O 3.31Å; I41-L53 HydrophobicContact CB-CB 4.33Å; I41-L53 PolarHBondContact N-O 3.33Å; I41-L53 PolarHBondContact O-N 3.03Å; T43-L53 HydrophobicContact CG2-CD1 3.77Å; L51-L53 HydrophobicContact CB-CD2 3.96Å; L51-L53 HydrophobicContact CB-CG 4.33Å; L51-L53 HydrophobicContact CD1-CD2 4.45Å; L53-F127 HydrophobicContact CD1-CB 4.3Å; L53-F127 HydrophobicContact CD1-CD1 4.04Å; L53-F127 WeakPolarHBondContact CD1-O 3.37Å; L53-R129 HydrophobicContact CD2-CG 4.38Å; L53-D133 VanDerWaalsContact CA-OD1 3.29Å; L53-D133 WeakPolarHBondContact CA-OD1 3.31Å
54H97.1Very high96.5Very high17 Ų1746.6 Ų46.68%0.07923%0.227CC..EExtended strand (participates in β ladder)trans-122.3117.6176.4-59.578.9000107.9F38 F39 E40 L132 D133 L136F38-H54 HydrophobicContact CB-CB 4.06Å; F38-H54 HydrophobicContact CD1-CB 4.24Å; F38-H54 HydrophobicContact CG-CB 4.4Å; F39-H54 WeakPolarHBondContact O-CA 3.45Å; E40-H54 IonicContact OE1-NE2 2.78Å; H54-L132 HydrophobicContact CB-CD2 4.04Å; H54-D133 IonicContact CG-OD1 3.57Å; H54-D133 PolarHBondContact N-OD1 2.89Å; H54-D133 IonicContact ND1-OD1 3.62Å; H54-D133 PolarHBondContact ND1-OD1 2.7Å; H54-L136 HydrophobicContact CB-CD1 4.21Å
55R97.8Very high96.3Very high13 Ų1349.5 Ų49.55%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-131.4132.8-178.5-62.6-66178.8-91.1-0.9110.4F39 I41 D59 F126 E128 S130 D133F39-R55 VanDerWaalsContact CD2-O 3.25Å; F39-R55 WeakPolarHBondContact CD2-O 3.42Å; F39-R55 PolarHBondContact N-O 3.49Å; F39-R55 PolarHBondContact O-N 3.48Å; F39-R55 VanDerWaalsContact O-N 3.09Å; I41-R55 HydrophobicContact CD1-CB 3.79Å; I41-R55 HydrophobicContact CD1-CG 3.77Å; R55-D59 HydrophobicContact CB-CB 4.15Å; R55-F126 HydrophobicContact CB-CE2 4.39Å; R55-F126 HydrophobicContact CB-CZ 4.1Å; R55-F126 HydrophobicContact CG-CE1 4.35Å; R55-F126 HydrophobicContact CG-CE2 3.98Å; R55-F126 HydrophobicContact CG-CZ 3.67Å; R55-F126 PolarHBondContact NE-O 2.89Å; R55-F126 PolarHBondContact NH2-O 3.45Å; R55-E128 PolarHBondContact NH2-O 3.04Å; R55-S130 PolarHBondContact NH1-OG 3.39Å; R55-D133 IonicContact CZ-OD2 3.67Å; R55-D133 IonicContact NH1-OD1 3.42Å; R55-D133 IonicContact NH1-OD2 3.08Å; R55-D133 PolarHBondContact NH1-OD2 2.79Å; R55-D133 IonicContact NH2-OD2 2.62Å
56S97.1Very high96.2Very high0 Ų055.6 Ų55.60%026%0.262CS..EExtended strand (participates in β ladder)trans-78.6166.5174.564.70000111.3E36 A58 D59 L60E36-S56 WeakPolarHBondContact OE1-CB 3.4Å; S56-A58 PolarHBondContact O-N 3.41Å; S56-A58 PolarHBondContact OG-N 3.42Å; S56-D59 WeakPolarHBondContact CB-OD2 3.48Å; S56-D59 PolarHBondContact N-OD2 2.69Å; S56-D59 WeakPolarHBondContact O-CB 3.48Å; S56-D59 PolarHBondContact O-N 3.47Å; S56-D59 VanDerWaalsContact O-N 3.13Å; S56-D59 VanDerWaalsContact OG-CG 3.24Å; S56-D59 PolarHBondContact OG-N 3.43Å; S56-D59 PolarHBondContact OG-OD2 3.03Å; S56-L60 PolarHBondContact O-N 2.62Å
57F97.3Very high96Very high82 Ų8254.5 Ų54.536%0.3625%0.254SS..Hα-helixtrans-58.2-34.6167.2-178.7-102.1000112F39 D59 L60 G61 L87 I90 K91F39-F57 HydrophobicContact CE2-CB 4.32Å; F57-D59 VanDerWaalsContact C-N 3.32Å; F57-D59 PolarHBondContact O-N 2.98Å; F57-L60 PolarHBondContact O-N 3.21Å; F57-G61 PolarHBondContact O-N 3.25Å; F57-G61 VanDerWaalsContact O-N 3.11Å; F57-L87 HydrophobicContact CE2-CD2 4.18Å; F57-L87 WeakPolarHBondContact CE2-O 3.28Å; F57-L87 HydrophobicContact CZ-CD2 4.49Å; F57-I90 HydrophobicContact CD2-CB 4.39Å; F57-I90 HydrophobicContact CD2-CG2 3.66Å; F57-I90 HydrophobicContact CE2-CB 4.01Å; F57-I90 HydrophobicContact CE2-CG2 3.77Å; F57-K91 HydrophobicContact CE2-CB 4.47Å; F57-K91 HydrophobicContact CZ-CB 4.12Å
58A96.7Very high95.9Very high42 Ų4254.8 Ų54.835%0.34725%0.248SC..Hα-helixtrans-65.3-35.2176.400000112.2S56 G61 R62S56-A58 PolarHBondContact O-N 3.41Å; S56-A58 PolarHBondContact OG-N 3.42Å; A58-G61 PolarHBondContact O-N 2.96Å; A58-R62 WeakPolarHBondContact O-CG 3.36Å; A58-R62 PolarHBondContact O-N 3.38Å
59D97.9Very high95.9Very high37 Ų3749.2 Ų49.220%0.19823%0.233CC..Hα-helixtrans-62.6-43.8173.4-69.8-56000112.1R55 S56 F57 G61 R62 L63 F126R55-D59 HydrophobicContact CB-CB 4.15Å; S56-D59 WeakPolarHBondContact CB-OD2 3.48Å; S56-D59 PolarHBondContact N-OD2 2.69Å; S56-D59 WeakPolarHBondContact O-CB 3.48Å; S56-D59 PolarHBondContact O-N 3.47Å; S56-D59 VanDerWaalsContact O-N 3.13Å; S56-D59 VanDerWaalsContact OG-CG 3.24Å; S56-D59 PolarHBondContact OG-N 3.43Å; S56-D59 PolarHBondContact OG-OD2 3.03Å; F57-D59 VanDerWaalsContact C-N 3.32Å; F57-D59 PolarHBondContact O-N 2.98Å; D59-G61 VanDerWaalsContact C-N 3.32Å; D59-G61 PolarHBondContact O-N 3.46Å; D59-R62 VanDerWaalsContact CG-NH2 3.27Å; D59-R62 WeakPolarHBondContact O-CB 3.21Å; D59-R62 PolarHBondContact O-N 3.13Å; D59-R62 IonicContact OD1-CZ 3.85Å; D59-R62 IonicContact OD1-NE 3.72Å; D59-R62 PolarHBondContact OD1-NE 2.9Å; D59-R62 IonicContact OD1-NH2 3.4Å; D59-R62 PolarHBondContact OD1-NH2 3.38Å; D59-R62 IonicContact OD2-NH2 2.62Å; D59-L63 PolarHBondContact O-N 3.44Å; D59-F126 HydrophobicContact CB-CE2 4.06Å
60L97.8Very high95.8Very high0 Ų049.9 Ų49.90%024%0.241CC..Hα-helixtrans-61-42.5176.3-59.8175.1000111.4F39 S56 F57 L63 C64 L87 I90 V103 L106 L107 F126F39-L60 HydrophobicContact CD2-CD1 4.13Å; F39-L60 HydrophobicContact CE2-CD1 3.98Å; S56-L60 PolarHBondContact O-N 2.62Å; F57-L60 PolarHBondContact O-N 3.21Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 3.11Å; L60-C64 PolarHBondContact O-N 3.37Å; L60-C64 VanDerWaalsContact O-N 3.11Å; L60-C64 PolarHBondContact O-SG 3.01Å; L60-C64 VanDerWaalsContact O-SG 3.34Å; L60-L87 HydrophobicContact CB-CD2 3.78Å; L60-I90 HydrophobicContact CD1-CD1 4.06Å; L60-V103 HydrophobicContact CD1-CG1 4.03Å; L60-V103 HydrophobicContact CD1-CG2 4.13Å; L60-L106 HydrophobicContact CB-CD2 4.37Å; L60-L106 HydrophobicContact CD1-CD2 4.41Å; L60-L107 HydrophobicContact CD2-CD2 3.85Å; L60-F126 HydrophobicContact CD2-CE2 4.25Å; L60-F126 HydrophobicContact CD2-CZ 3.67Å
61G96.6Very high95.7Very high26 Ų2649.9 Ų49.927%0.26824%0.237SC..Hα-helixtrans-61.9-43.2173.700000112.6F57 A58 D59 C64 K65F57-G61 PolarHBondContact O-N 3.25Å; F57-G61 VanDerWaalsContact O-N 3.11Å; A58-G61 PolarHBondContact O-N 2.96Å; D59-G61 VanDerWaalsContact C-N 3.32Å; D59-G61 PolarHBondContact O-N 3.46Å; G61-C64 PolarHBondContact O-N 2.84Å; G61-K65 WeakPolarHBondContact O-CB 3.46Å; G61-K65 PolarHBondContact O-N 3.18Å
62R97.3Very high95.4Very high129 Ų12952.1 Ų52.149%0.48725%0.252SS..Hα-helixtrans-62.8-41.8175.5-78-172.8-72.1-96.69.1112A58 D59 K65 R66A58-R62 WeakPolarHBondContact O-CG 3.36Å; A58-R62 PolarHBondContact O-N 3.38Å; D59-R62 VanDerWaalsContact CG-NH2 3.27Å; D59-R62 WeakPolarHBondContact O-CB 3.21Å; D59-R62 PolarHBondContact O-N 3.13Å; D59-R62 IonicContact OD1-CZ 3.85Å; D59-R62 IonicContact OD1-NE 3.72Å; D59-R62 PolarHBondContact OD1-NE 2.9Å; D59-R62 IonicContact OD1-NH2 3.4Å; D59-R62 PolarHBondContact OD1-NH2 3.38Å; D59-R62 IonicContact OD2-NH2 2.62Å; R62-K65 PolarHBondContact O-N 3.44Å; R62-R66 WeakPolarHBondContact O-CB 3.43Å; R62-R66 WeakPolarHBondContact O-CG 3.31Å; R62-R66 PolarHBondContact O-N 3.08Å
63L96.5Very high95.1Very high8 Ų853.7 Ų53.74%0.04226%0.264CS..Hα-helixtrans-56.5-54.2175.1170.561.9000110.8D59 L60 K65 R66 L67 V110 V122 V123 F126D59-L63 PolarHBondContact O-N 3.44Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 3.11Å; L63-K65 VanDerWaalsContact C-N 3.26Å; L63-K65 PolarHBondContact O-N 3.11Å; L63-R66 PolarHBondContact O-N 3.2Å; L63-L67 WeakPolarHBondContact O-CB 3.43Å; L63-L67 PolarHBondContact O-N 2.8Å; L63-V110 HydrophobicContact CD2-CG1 4.38Å; L63-V110 HydrophobicContact CD2-CG2 4.33Å; L63-V122 HydrophobicContact CD1-CG1 4.1Å; L63-V123 HydrophobicContact CD1-CG2 4.34Å; L63-F126 HydrophobicContact CB-CD2 3.86Å; L63-F126 HydrophobicContact CB-CE2 4.15Å; L63-F126 HydrophobicContact CB-CG 4.38Å; L63-F126 HydrophobicContact CD1-CB 3.9Å; L63-F126 HydrophobicContact CD1-CD2 4.37Å; L63-F126 HydrophobicContact CD1-CG 4.08Å; L63-F126 HydrophobicContact CD2-CD1 3.82Å; L63-F126 HydrophobicContact CD2-CD2 3.94Å; L63-F126 HydrophobicContact CD2-CE1 3.98Å; L63-F126 HydrophobicContact CD2-CE2 4.06Å; L63-F126 HydrophobicContact CD2-CG 3.81Å; L63-F126 HydrophobicContact CD2-CZ 4.1Å; L63-F126 HydrophobicContact CG-CD2 4.27Å; L63-F126 HydrophobicContact CG-CG 4.31Å
64C94.2Very high94.7Very high9 Ų955.5 Ų55.56%0.06127%0.274CS..Hα-helixtrans-61.6-35.6-179.7-64.40000112.3L60 G61 R68 L87L60-C64 PolarHBondContact O-N 3.37Å; L60-C64 VanDerWaalsContact O-N 3.11Å; L60-C64 PolarHBondContact O-SG 3.01Å; L60-C64 VanDerWaalsContact O-SG 3.34Å; G61-C64 PolarHBondContact O-N 2.84Å; C64-R68 WeakPolarHBondContact O-CG 3.46Å; C64-R68 PolarHBondContact O-N 3.31Å; C64-R68 PolarHBondContact O-NE 3.49Å; C64-L87 HydrophobicContact CB-CD1 3.92Å
65K93.9Very high94.1Very high120 Ų12060.5 Ų60.552%0.52229%0.292SS..Hα-helixtrans-67.7-54174.8-175.1-177.7175.6-174.40111.5G61 R62 L63 L67 R68 D69G61-K65 WeakPolarHBondContact O-CB 3.46Å; G61-K65 PolarHBondContact O-N 3.18Å; R62-K65 PolarHBondContact O-N 3.44Å; L63-K65 VanDerWaalsContact C-N 3.26Å; L63-K65 PolarHBondContact O-N 3.11Å; K65-L67 PolarHBondContact O-N 3Å; K65-R68 PolarHBondContact O-N 3.34Å; K65-R68 VanDerWaalsContact O-N 3.14Å; K65-D69 PolarHBondContact O-N 3.28Å
66R94.9Very high93.4Very high130 Ų13064.8 Ų64.849%0.49132%0.322SS..Hα-helixtrans-60-34.6-178.8-73.5-17670.7-172.7-0.5112R62 L63 D69 A70 V122R62-R66 WeakPolarHBondContact O-CB 3.43Å; R62-R66 WeakPolarHBondContact O-CG 3.31Å; R62-R66 PolarHBondContact O-N 3.08Å; L63-R66 PolarHBondContact O-N 3.2Å; R66-D69 PolarHBondContact O-N 3.2Å; R66-A70 WeakPolarHBondContact O-CB 3.43Å; R66-A70 PolarHBondContact O-N 3.3Å; R66-V122 HydrophobicContact CB-CG1 3.51Å; R66-V122 HydrophobicContact CB-CG2 4.34Å
67L93.2Very high92.7Very high1 Ų168.6 Ų68.61%0.00534%0.339CS..Hα-helixtrans-63.2-47.7176.9-169.966.8000110.9L63 K65 D69 A70 F71 L78 L83 M113 V122 V123L63-L67 WeakPolarHBondContact O-CB 3.43Å; L63-L67 PolarHBondContact O-N 2.8Å; K65-L67 PolarHBondContact O-N 3Å; L67-D69 VanDerWaalsContact C-N 3.28Å; L67-D69 PolarHBondContact O-N 3.42Å; L67-A70 PolarHBondContact O-N 3.45Å; L67-F71 HydrophobicContact CD1-CD2 4.1Å; L67-F71 HydrophobicContact CD1-CE2 3.86Å; L67-F71 VanDerWaalsContact O-CD2 3.32Å; L67-F71 WeakPolarHBondContact O-CD2 3.32Å; L67-F71 PolarHBondContact O-N 3.23Å; L67-L78 HydrophobicContact CD2-CD2 4.1Å; L67-L78 HydrophobicContact CG-CD1 4.32Å; L67-L78 HydrophobicContact CG-CD2 4.34Å; L67-L83 HydrophobicContact CD2-CD1 3.88Å; L67-M113 HydrophobicContact CD2-SD 4.15Å; L67-V122 HydrophobicContact CB-CG1 4.43Å; L67-V123 HydrophobicContact CD1-CG2 3.91Å
68R92.3Very high92.1Very high104 Ų10465 Ų6539%0.39232%0.324SS..Hα-helixtrans-65.3-31.6175.9-67-179.9-56.8153.97.2113.3C64 K65 R75 L78C64-R68 WeakPolarHBondContact O-CG 3.46Å; C64-R68 PolarHBondContact O-N 3.31Å; C64-R68 PolarHBondContact O-NE 3.49Å; K65-R68 PolarHBondContact O-N 3.34Å; K65-R68 VanDerWaalsContact O-N 3.14Å; R68-R75 WeakPolarHBondContact O-CG 3.41Å; R68-R75 PolarHBondContact O-NE 3.04Å; R68-L78 HydrophobicContact CG-CB 3.94Å
69D93.1Very high90.9Very high81 Ų8165.6 Ų65.643%0.43333%0.329SS..Hα-helixtrans-75-33.4178.6-68.5-22.8000111.7K65 R66 L67 R75K65-D69 PolarHBondContact O-N 3.28Å; R66-D69 PolarHBondContact O-N 3.2Å; L67-D69 VanDerWaalsContact C-N 3.28Å; L67-D69 PolarHBondContact O-N 3.42Å; D69-R75 IonicContact OD1-NH2 3.84Å
70A92.9Very high89.6Confident51 Ų5171.5 Ų71.542%0.42135%0.349SS..Hα-helixtrans-72.9-25.2177.500000113.8R66 L67 P72 V122R66-A70 WeakPolarHBondContact O-CB 3.43Å; R66-A70 PolarHBondContact O-N 3.3Å; L67-A70 PolarHBondContact O-N 3.45Å; A70-P72 VanDerWaalsContact C-CD 3.5Å; A70-P72 WeakPolarHBondContact O-CD 3.45Å; A70-V122 HydrophobicContact CB-CG2 3.82Å
71F93Very high88.2Confident46 Ų4673.4 Ų73.420%0.20237%0.365CS..  trans-12372.8179.6-58.8-82.1000110.8L67 E73 D74 R75 L78 K116 Y117L67-F71 HydrophobicContact CD1-CD2 4.1Å; L67-F71 HydrophobicContact CD1-CE2 3.86Å; L67-F71 VanDerWaalsContact O-CD2 3.32Å; L67-F71 WeakPolarHBondContact O-CD2 3.32Å; L67-F71 PolarHBondContact O-N 3.23Å; F71-E73 VanDerWaalsContact C-N 3.31Å; F71-E73 PolarHBondContact O-N 2.82Å; F71-D74 HydrophobicContact CB-CB 4.08Å; F71-D74 PolarHBondContact O-N 3.21Å; F71-R75 PolarHBondContact O-N 3.23Å; F71-L78 HydrophobicContact CB-CD1 3.63Å; F71-L78 HydrophobicContact CD2-CD1 4.07Å; F71-L78 HydrophobicContact CG-CD1 4.21Å; F71-K116 WeakPolarHBondContact CZ-O 3.47Å; F71-Y117 HydrophobicContact CB-CE1 4.29Å; F71-Y117 HydrophobicContact CD1-CD1 4.3Å; F71-Y117 HydrophobicContact CD1-CE1 4.2Å; F71-Y117 AromaticContact CD2-CD1 3.83Å; F71-Y117 HydrophobicContact CD2-CD1 3.83Å; F71-Y117 HydrophobicContact CD2-CE1 4.2Å; F71-Y117 HydrophobicContact CE1-CD1 4.4Å; F71-Y117 AromaticContact CE2-CD1 3.96Å; F71-Y117 HydrophobicContact CE2-CD1 3.96Å; F71-Y117 HydrophobicContact CG-CD1 4.04Å; F71-Y117 AromaticContact CG-CE1 3.97Å; F71-Y117 HydrophobicContact CG-CE1 3.97Å; F71-Y117 HydrophobicContact CZ-CD1 4.26Å
72P90.3Very high87.7Confident63 Ų6375.3 Ų75.341%0.40937%0.372SS..SBendtrans-61.6-36.8-174.823.9-33.6000113.2A70 D74 R75A70-P72 VanDerWaalsContact C-CD 3.5Å; A70-P72 WeakPolarHBondContact O-CD 3.45Å; P72-D74 VanDerWaalsContact C-N 3.32Å; P72-D74 PolarHBondContact O-N 3.1Å; P72-R75 WeakPolarHBondContact O-CB 3.14Å; P72-R75 WeakPolarHBondContact O-CD 3.23Å; P72-R75 VanDerWaalsContact O-CG 3.25Å; P72-R75 WeakPolarHBondContact O-CG 3.49Å; P72-R75 PolarHBondContact O-N 3.1Å
73E90.6Very high87.4Confident167 Ų16769.5 Ų69.578%0.7835%0.351SS*.THydrogen-bonded Turntrans-69.1-31.4179.5-54-51.8147.600112.5F71F71-E73 VanDerWaalsContact C-N 3.31Å; F71-E73 PolarHBondContact O-N 2.82Å
74D89.1Confident87.1Confident39 Ų3976.6 Ų76.621%0.20938%0.377CS..THydrogen-bonded Turntrans-93.36-179.9-62.6-39.5000112.5F71 P72 P76 E77 L78 K116 Y117F71-D74 HydrophobicContact CB-CB 4.08Å; F71-D74 PolarHBondContact O-N 3.21Å; P72-D74 VanDerWaalsContact C-N 3.32Å; P72-D74 PolarHBondContact O-N 3.1Å; D74-P76 VanDerWaalsContact C-CD 3.41Å; D74-E77 CarbonylContact O-C 3.6Å; D74-E77 WeakPolarHBondContact O-CA 3.17Å; D74-E77 WeakPolarHBondContact O-CB 3.46Å; D74-E77 PolarHBondContact O-N 3.11Å; D74-L78 HydrophobicContact CB-CD1 4.32Å; D74-L78 HydrophobicContact CB-CG 4.39Å; D74-L78 PolarHBondContact O-N 2.58Å; D74-K116 IonicContact OD1-NZ 3.03Å; D74-K116 PolarHBondContact OD1-NZ 3.46Å; D74-K116 VanDerWaalsContact OD1-NZ 3.16Å; D74-K116 IonicContact OD2-NZ 3.16Å; D74-K116 PolarHBondContact OD2-NZ 3.17Å; D74-Y117 HydrophobicContact CB-CE1 4.07Å; D74-Y117 WeakPolarHBondContact CB-OH 3.4Å; D74-Y117 WeakPolarHBondContact OD2-CE1 3.3Å; D74-Y117 PolarHBondContact OD2-OH 3.37Å; D74-Y117 VanDerWaalsContact OD2-OH 3.09Å
75R84.3Confident87Confident123 Ų12381.4 Ų81.446%0.46440%0.399SS..Hα-helixtrans-47.4-45.3179.1-84.2175.2-179.6175.72.1115R68 D69 F71 P72 E77 L78 A79R68-R75 WeakPolarHBondContact O-CG 3.41Å; R68-R75 PolarHBondContact O-NE 3.04Å; D69-R75 IonicContact OD1-NH2 3.84Å; F71-R75 PolarHBondContact O-N 3.23Å; P72-R75 WeakPolarHBondContact O-CB 3.14Å; P72-R75 WeakPolarHBondContact O-CD 3.23Å; P72-R75 VanDerWaalsContact O-CG 3.25Å; P72-R75 WeakPolarHBondContact O-CG 3.49Å; P72-R75 PolarHBondContact O-N 3.1Å; R75-E77 VanDerWaalsContact C-N 3.26Å; R75-E77 PolarHBondContact O-N 3.12Å; R75-L78 PolarHBondContact O-N 2.83Å; R75-A79 WeakPolarHBondContact O-CA 3.39Å; R75-A79 WeakPolarHBondContact O-CB 3.46Å; R75-A79 PolarHBondContact O-N 3.41Å
76P82.4Confident87.1Confident103 Ų10376.2 Ų76.267%0.66938%0.379SS*.Hα-helixtrans-65.2-32.7177.825-33.6000112.2D74 R80D74-P76 VanDerWaalsContact C-CD 3.41Å; P76-R80 PolarHBondContact O-N 2.66Å
77E83.2Confident87.1Confident79 Ų7971.5 Ų71.537%0.36936%0.363SS..Hα-helixtrans-72.5-43.2175.5-170.3-178.7-158.200111.5D74 R75 R80 K116 Y117D74-E77 CarbonylContact O-C 3.6Å; D74-E77 WeakPolarHBondContact O-CA 3.17Å; D74-E77 WeakPolarHBondContact O-CB 3.46Å; D74-E77 PolarHBondContact O-N 3.11Å; R75-E77 VanDerWaalsContact C-N 3.26Å; R75-E77 PolarHBondContact O-N 3.12Å; E77-R80 WeakPolarHBondContact O-CB 3.4Å; E77-R80 VanDerWaalsContact O-CD 3.31Å; E77-R80 WeakPolarHBondContact O-CD 3.31Å; E77-R80 WeakPolarHBondContact O-CG 3.27Å; E77-R80 PolarHBondContact O-N 2.78Å; E77-R80 VanDerWaalsContact O-N 3.16Å; E77-K116 IonicContact OE2-NZ 2.74Å; E77-Y117 PolarHBondContact OE2-OH 2.62Å
78L82.9Confident87.3Confident7 Ų774.5 Ų74.54%0.03738%0.379CS..Hα-helixtrans-77.1-23.9178.1-69.3174.4000113.4L67 R68 F71 D74 R75 R80 M113 Y117L67-L78 HydrophobicContact CD2-CD2 4.1Å; L67-L78 HydrophobicContact CG-CD1 4.32Å; L67-L78 HydrophobicContact CG-CD2 4.34Å; R68-L78 HydrophobicContact CG-CB 3.94Å; F71-L78 HydrophobicContact CB-CD1 3.63Å; F71-L78 HydrophobicContact CD2-CD1 4.07Å; F71-L78 HydrophobicContact CG-CD1 4.21Å; D74-L78 HydrophobicContact CB-CD1 4.32Å; D74-L78 HydrophobicContact CB-CG 4.39Å; D74-L78 PolarHBondContact O-N 2.58Å; R75-L78 PolarHBondContact O-N 2.83Å; L78-R80 PolarHBondContact O-N 3.46Å; L78-M113 HydrophobicContact CD2-SD 4.24Å; L78-Y117 HydrophobicContact CD1-CD1 4.22Å; L78-Y117 HydrophobicContact CD1-CE1 3.89Å; L78-Y117 HydrophobicContact CD2-CD1 3.87Å; L78-Y117 HydrophobicContact CD2-CD2 4.21Å; L78-Y117 HydrophobicContact CD2-CE1 3.8Å; L78-Y117 HydrophobicContact CD2-CE2 4.13Å; L78-Y117 HydrophobicContact CD2-CG 4.06Å; L78-Y117 HydrophobicContact CG-CD1 4.45Å; L78-Y117 HydrophobicContact CG-CE1 3.99Å
79A73.1Confident87.5Confident55 Ų5570.9 Ų70.946%0.45537%0.372SS..THydrogen-bonded Turntrans-75.2-2168.600000112.1R75R75-A79 WeakPolarHBondContact O-CA 3.39Å; R75-A79 WeakPolarHBondContact O-CB 3.46Å; R75-A79 PolarHBondContact O-N 3.41Å
80R70.1Confident87.7Confident160 Ų16067.2 Ų67.260%0.60435%0.352SS*.SBendtrans-52.6155.2170.7-79.3176.9138.8163.4-5.1110.9P76 E77 L78 P82P76-R80 PolarHBondContact O-N 2.66Å; E77-R80 WeakPolarHBondContact O-CB 3.4Å; E77-R80 VanDerWaalsContact O-CD 3.31Å; E77-R80 WeakPolarHBondContact O-CD 3.31Å; E77-R80 WeakPolarHBondContact O-CG 3.27Å; E77-R80 PolarHBondContact O-N 2.78Å; E77-R80 VanDerWaalsContact O-N 3.16Å; L78-R80 PolarHBondContact O-N 3.46Å; R80-P82 VanDerWaalsContact C-N 3.34Å; R80-P82 WeakPolarHBondContact O-CD 3.36Å; R80-P82 VanDerWaalsContact O-N 3.15Å
81A68.4Low87.9Confident41 Ų4172.3 Ų72.334%0.33937%0.365SS..Hα-helixtrans-51.2-36.2-171.500000115.7L83 R84 Q85A81-L83 PolarHBondContact O-N 2.79Å; A81-R84 PolarHBondContact O-N 2.67Å; A81-Q85 VanDerWaalsContact CB-CD 3.47Å; A81-Q85 HydrophobicContact CB-CG 4.06Å; A81-Q85 VanDerWaalsContact CB-OE1 3.26Å; A81-Q85 WeakPolarHBondContact O-CA 3.28Å; A81-Q85 WeakPolarHBondContact O-CB 3.47Å; A81-Q85 VanDerWaalsContact O-CG 3.23Å; A81-Q85 WeakPolarHBondContact O-CG 3.45Å; A81-Q85 PolarHBondContact O-N 3.1Å
82P85.4Confident88.1Confident65 Ų6576.6 Ų76.642%0.42239%0.385SS..Hα-helixtrans-58.4-49.8-167.3-27.635.3000115.2R80 G86 T109R80-P82 VanDerWaalsContact C-N 3.34Å; R80-P82 WeakPolarHBondContact O-CD 3.36Å; R80-P82 VanDerWaalsContact O-N 3.15Å; P82-G86 PolarHBondContact O-N 3.03Å; P82-T109 HydrophobicContact CB-CG2 3.98Å
83L90.8Very high88.4Confident7 Ų774.4 Ų74.44%0.03737%0.373CS..Hα-helixtrans-69.5-40.5-178.8-63.8-176.4000112.1L67 A81 L87 L106 T109 V110 M113L67-L83 HydrophobicContact CD2-CD1 3.88Å; A81-L83 PolarHBondContact O-N 2.79Å; L83-L87 WeakPolarHBondContact O-CG 3.45Å; L83-L87 PolarHBondContact O-N 3.28Å; L83-L87 VanDerWaalsContact O-N 3.14Å; L83-L106 HydrophobicContact CD2-CD1 3.71Å; L83-T109 HydrophobicContact CD2-CG2 4.3Å; L83-V110 HydrophobicContact CD2-CG2 3.58Å; L83-M113 HydrophobicContact CD1-CE 3.69Å; L83-M113 HydrophobicContact CD2-CE 3.86Å; L83-M113 HydrophobicContact CG-CE 3.68Å
84R90.7Very high88.5Confident157 Ų15775.3 Ų75.359%0.59238%0.376SS*.Hα-helixtrans-69.3-42.1179.2-166.8-174.378.388.91.3111.5A81 L88A81-R84 PolarHBondContact O-N 2.67Å; R84-L88 WeakPolarHBondContact O-CG 3.36Å; R84-L88 PolarHBondContact O-N 3.46Å; R84-L88 VanDerWaalsContact O-N 3.12Å
85Q92.9Very high88.9Confident111 Ų11177.1 Ų77.152%0.51939%0.386SS..Hα-helixtrans-67-41.9176.9-75.5176.3-34.700110.8A81 L87 L88 A89A81-Q85 VanDerWaalsContact CB-CD 3.47Å; A81-Q85 HydrophobicContact CB-CG 4.06Å; A81-Q85 VanDerWaalsContact CB-OE1 3.26Å; A81-Q85 WeakPolarHBondContact O-CA 3.28Å; A81-Q85 WeakPolarHBondContact O-CB 3.47Å; A81-Q85 VanDerWaalsContact O-CG 3.23Å; A81-Q85 WeakPolarHBondContact O-CG 3.45Å; A81-Q85 PolarHBondContact O-N 3.1Å; Q85-L87 PolarHBondContact O-N 3.19Å; Q85-L88 PolarHBondContact O-N 2.66Å; Q85-L88 VanDerWaalsContact O-N 3.16Å; Q85-A89 WeakPolarHBondContact O-CB 3.49Å; Q85-A89 PolarHBondContact O-N 3.31Å
86G95.3Very high89.4Confident11 Ų1176.4 Ų76.411%0.11339%0.39CS..Hα-helixtrans-59-46.4175.300000112.2P82 L88 A89 I90P82-G86 PolarHBondContact O-N 3.03Å; G86-L88 VanDerWaalsContact C-N 3.31Å; G86-L88 PolarHBondContact O-N 2.86Å; G86-A89 PolarHBondContact O-N 3.3Å; G86-I90 WeakPolarHBondContact O-CD1 3.38Å; G86-I90 VanDerWaalsContact O-CG1 3.23Å; G86-I90 WeakPolarHBondContact O-CG1 3.5Å; G86-I90 PolarHBondContact O-N 3.35Å
87L95.8Very high90.1Very high30 Ų3078.2 Ų78.216%0.15739%0.39CS..Hα-helixtrans-61.4-37174.9-72.7175.9000113.4F57 L60 C64 L83 Q85 K91 L106F57-L87 HydrophobicContact CE2-CD2 4.18Å; F57-L87 WeakPolarHBondContact CE2-O 3.28Å; F57-L87 HydrophobicContact CZ-CD2 4.49Å; L60-L87 HydrophobicContact CB-CD2 3.78Å; C64-L87 HydrophobicContact CB-CD1 3.92Å; L83-L87 WeakPolarHBondContact O-CG 3.45Å; L83-L87 PolarHBondContact O-N 3.28Å; L83-L87 VanDerWaalsContact O-N 3.14Å; Q85-L87 PolarHBondContact O-N 3.19Å; L87-K91 PolarHBondContact O-N 2.92Å; L87-L106 HydrophobicContact CD2-CD2 3.79Å; L87-L106 HydrophobicContact CG-CD2 4.18Å
88L96.1Very high90.7Very high65 Ų6577 Ų7734%0.3439%0.388SS..Hα-helixtrans-69.4-44175.3-73.8171.6000111.5R84 Q85 G86 I90 K91 E92R84-L88 WeakPolarHBondContact O-CG 3.36Å; R84-L88 PolarHBondContact O-N 3.46Å; R84-L88 VanDerWaalsContact O-N 3.12Å; Q85-L88 PolarHBondContact O-N 2.66Å; Q85-L88 VanDerWaalsContact O-N 3.16Å; G86-L88 VanDerWaalsContact C-N 3.31Å; G86-L88 PolarHBondContact O-N 2.86Å; L88-I90 VanDerWaalsContact C-N 3.34Å; L88-I90 PolarHBondContact O-N 3.37Å; L88-K91 CarbonylContact O-C 3.56Å; L88-K91 WeakPolarHBondContact O-CA 3.38Å; L88-K91 WeakPolarHBondContact O-CB 3.43Å; L88-K91 PolarHBondContact O-N 2.99Å; L88-E92 WeakPolarHBondContact O-CB 3.4Å; L88-E92 WeakPolarHBondContact O-CG 3.27Å; L88-E92 PolarHBondContact O-N 2.97Å
89A97.2Very high91.5Very high28 Ų2879 Ų7923%0.23140%0.395CS..Hα-helixtrans-60.6-42.4178.600000111.7Q85 G86 K91 E92 A93 E102Q85-A89 WeakPolarHBondContact O-CB 3.49Å; Q85-A89 PolarHBondContact O-N 3.31Å; G86-A89 PolarHBondContact O-N 3.3Å; A89-K91 VanDerWaalsContact C-N 3.29Å; A89-K91 PolarHBondContact O-N 3.29Å; A89-E92 CarbonylContact O-C 3.54Å; A89-E92 PolarHBondContact O-N 2.98Å; A89-A93 WeakPolarHBondContact O-CB 3.44Å; A89-A93 PolarHBondContact O-N 2.78Å; A89-E102 HydrophobicContact CB-CB 4.4Å; A89-E102 HydrophobicContact CB-CG 4Å; A89-E102 WeakPolarHBondContact CB-OE2 3.19Å
90I97.8Very high92.7Very high4 Ų477.6 Ų77.62%0.02138%0.38CS..Hα-helixtrans-60.6-40.4173.9-63.9160.4000111.2F39 F57 L60 G86 L88 R99 E102 V103 L106F39-I90 HydrophobicContact CZ-CG2 4.27Å; F57-I90 HydrophobicContact CD2-CB 4.39Å; F57-I90 HydrophobicContact CD2-CG2 3.66Å; F57-I90 HydrophobicContact CE2-CB 4.01Å; F57-I90 HydrophobicContact CE2-CG2 3.77Å; L60-I90 HydrophobicContact CD1-CD1 4.06Å; G86-I90 WeakPolarHBondContact O-CD1 3.38Å; G86-I90 VanDerWaalsContact O-CG1 3.23Å; G86-I90 WeakPolarHBondContact O-CG1 3.5Å; G86-I90 PolarHBondContact O-N 3.35Å; L88-I90 VanDerWaalsContact C-N 3.34Å; L88-I90 PolarHBondContact O-N 3.37Å; I90-R99 HydrophobicContact CG2-CG 4.05Å; I90-E102 HydrophobicContact CG1-CB 3.63Å; I90-V103 HydrophobicContact CD1-CB 4.36Å; I90-V103 HydrophobicContact CD1-CG2 3.75Å; I90-V103 HydrophobicContact CG1-CG2 3.85Å; I90-V103 HydrophobicContact CG2-CG2 3.88Å; I90-L106 HydrophobicContact CD1-CB 4.24Å; I90-L106 HydrophobicContact CD1-CD2 3.61Å
91K96.6Very high94Very high158 Ų15873.4 Ų73.469%0.68737%0.369SS*.Hα-helixtrans-71.3-33.9179.2-174.6-179.6177.1-175.10112.4F57 L87 L88 A89F57-K91 HydrophobicContact CE2-CB 4.47Å; F57-K91 HydrophobicContact CZ-CB 4.12Å; L87-K91 PolarHBondContact O-N 2.92Å; L88-K91 CarbonylContact O-C 3.56Å; L88-K91 WeakPolarHBondContact O-CA 3.38Å; L88-K91 WeakPolarHBondContact O-CB 3.43Å; L88-K91 PolarHBondContact O-N 2.99Å; A89-K91 VanDerWaalsContact C-N 3.29Å; A89-K91 PolarHBondContact O-N 3.29Å
92E97.2Very high95.4Very high135 Ų13573.3 Ų73.363%0.63136%0.362SS*.Hα-helixtrans-84.6-14.6179.6-71.2177176.800112.6L88 A89 H94L88-E92 WeakPolarHBondContact O-CB 3.4Å; L88-E92 WeakPolarHBondContact O-CG 3.27Å; L88-E92 PolarHBondContact O-N 2.97Å; A89-E92 CarbonylContact O-C 3.54Å; A89-E92 PolarHBondContact O-N 2.98Å; E92-H94 PolarHBondContact O-CE1 3.46Å; E92-H94 PolarHBondContact O-N 3.41Å; E92-H94 PolarHBondContact O-ND1 3.41Å
93A97.1Very high96Very high18 Ų1870.2 Ų70.215%0.14934%0.342CS..  trans-66.3125.3175.200000111.1A89 T98 R99A89-A93 WeakPolarHBondContact O-CB 3.44Å; A89-A93 PolarHBondContact O-N 2.78Å; A93-T98 HydrophobicContact CB-CG2 4.03Å; A93-R99 HydrophobicContact CB-CB 3.76Å; A93-R99 HydrophobicContact CB-CG 4.24Å
94H92.8Very high96.4Very high185 Ų18572 Ų7286%0.85635%0.35SS*.  trans-96-33.9-177.9-67.320.5000111.8E92E92-H94 PolarHBondContact O-CE1 3.46Å; E92-H94 PolarHBondContact O-N 3.41Å; E92-H94 PolarHBondContact O-ND1 3.41Å
95D96.1Very high96.8Very high77 Ų7769.6 Ų69.641%0.41234%0.344SS..SBendtrans-93.4147.8176.563.4-74.3000111.7E97 T98 R99D95-E97 VanDerWaalsContact C-N 3.34Å; D95-E97 PolarHBondContact O-N 2.93Å; D95-T98 VanDerWaalsContact CG-CB 3.46Å; D95-T98 VanDerWaalsContact OD1-CB 3.26Å; D95-T98 WeakPolarHBondContact OD1-CB 3.49Å; D95-T98 PolarHBondContact OD1-OG1 3.19Å; D95-T98 WeakPolarHBondContact OD2-CA 3.36Å; D95-T98 WeakPolarHBondContact OD2-CB 3.23Å; D95-T98 PolarHBondContact OD2-N 3.32Å; D95-T98 PolarHBondContact OD2-OG1 3.26Å; D95-R99 WeakPolarHBondContact O-CB 3.49Å; D95-R99 PolarHBondContact O-N 2.79Å
96I94.9Very high97Very high108 Ų10864.5 Ų64.555%0.55432%0.32SS*.Hα-helixtrans-63.8-41.2-174.9-66.6170.3000110.8I24 R99 L100I24-I96 HydrophobicContact CD1-CG2 4.01Å; I24-I96 HydrophobicContact CG1-CG2 4.47Å; I96-R99 WeakPolarHBondContact O-CB 3.49Å; I96-R99 PolarHBondContact O-N 2.83Å; I96-L100 HydrophobicContact CG2-CD1 4.04Å; I96-L100 HydrophobicContact CG2-CG 4.21Å; I96-L100 VanDerWaalsContact O-CG 3.27Å; I96-L100 WeakPolarHBondContact O-CG 3.36Å; I96-L100 PolarHBondContact O-N 3.36Å
97E96.9Very high97.1Very high142 Ų14264 Ų6466%0.66432%0.315SS*.Hα-helixtrans-63.9-48.8-177.3-173.6178.4176.400111.8D95 R99 L100 N101D95-E97 VanDerWaalsContact C-N 3.34Å; D95-E97 PolarHBondContact O-N 2.93Å; E97-R99 VanDerWaalsContact C-N 3.3Å; E97-R99 PolarHBondContact O-N 3.06Å; E97-L100 PolarHBondContact O-N 3.16Å; E97-N101 WeakPolarHBondContact O-CB 3.3Å; E97-N101 PolarHBondContact O-N 3.27Å; E97-N101 PolarHBondContact O-ND2 3.39Å
98T97.8Very high97.2Very high54 Ų5466.7 Ų66.733%0.33133%0.327SS..Hα-helixtrans-60.6-42.4173.7-60.60000110.5A93 D95 L100 N101 E102A93-T98 HydrophobicContact CB-CG2 4.03Å; D95-T98 VanDerWaalsContact CG-CB 3.46Å; D95-T98 VanDerWaalsContact OD1-CB 3.26Å; D95-T98 WeakPolarHBondContact OD1-CB 3.49Å; D95-T98 PolarHBondContact OD1-OG1 3.19Å; D95-T98 WeakPolarHBondContact OD2-CA 3.36Å; D95-T98 WeakPolarHBondContact OD2-CB 3.23Å; D95-T98 PolarHBondContact OD2-N 3.32Å; D95-T98 PolarHBondContact OD2-OG1 3.26Å; T98-L100 VanDerWaalsContact C-N 3.33Å; T98-L100 PolarHBondContact O-N 3.12Å; T98-N101 PolarHBondContact O-N 3.04Å; T98-E102 HydrophobicContact CG2-CG 4.24Å; T98-E102 WeakPolarHBondContact O-CG 3.13Å; T98-E102 PolarHBondContact O-N 3.46Å
99R97.9Very high97.2Very high48 Ų4866.1 Ų66.118%0.18133%0.326CS..Hα-helixtrans-59.8-43.2177.6-167.6168.469.11651111.9E37 F39 I90 A93 D95 I96 E97 V103E37-R99 VanDerWaalsContact CD-NH2 3.29Å; E37-R99 IonicContact OE1-NH1 3.96Å; E37-R99 IonicContact OE1-NH2 3.67Å; E37-R99 PolarHBondContact OE1-NH2 3.43Å; E37-R99 IonicContact OE2-CZ 3.92Å; E37-R99 VanDerWaalsContact OE2-CZ 3.26Å; E37-R99 IonicContact OE2-NH1 3.06Å; E37-R99 PolarHBondContact OE2-NH1 3.31Å; E37-R99 IonicContact OE2-NH2 2.75Å; E37-R99 PolarHBondContact OE2-NH2 3.01Å; F39-R99 HydrophobicContact CE1-CG 4.28Å; F39-R99 HydrophobicContact CZ-CG 4.44Å; I90-R99 HydrophobicContact CG2-CG 4.05Å; A93-R99 HydrophobicContact CB-CB 3.76Å; A93-R99 HydrophobicContact CB-CG 4.24Å; D95-R99 WeakPolarHBondContact O-CB 3.49Å; D95-R99 PolarHBondContact O-N 2.79Å; I96-R99 WeakPolarHBondContact O-CB 3.49Å; I96-R99 PolarHBondContact O-N 2.83Å; E97-R99 VanDerWaalsContact C-N 3.3Å; E97-R99 PolarHBondContact O-N 3.06Å; R99-V103 VanDerWaalsContact O-CG2 3.3Å; R99-V103 WeakPolarHBondContact O-CG2 3.24Å; R99-V103 PolarHBondContact O-N 2.73Å; R99-V103 VanDerWaalsContact O-N 3.14Å
100L98.3Very high97.2Very high26 Ų2664.8 Ų64.814%0.13632%0.315CS..Hα-helixtrans-63.3-46.4175.4-71.2-179.9000111.9V21 I24 F39 I96 E97 T98 E102 V103 E104V21-L100 HydrophobicContact CG1-CD2 3.62Å; I24-L100 HydrophobicContact CD1-CD2 3.92Å; I24-L100 HydrophobicContact CD1-CG 4.37Å; I24-L100 HydrophobicContact CG1-CD2 3.48Å; I24-L100 VanDerWaalsContact CG1-CD2 3.48Å; I24-L100 HydrophobicContact CG1-CG 4.25Å; F39-L100 HydrophobicContact CD1-CD2 4.01Å; I96-L100 HydrophobicContact CG2-CD1 4.04Å; I96-L100 HydrophobicContact CG2-CG 4.21Å; I96-L100 VanDerWaalsContact O-CG 3.27Å; I96-L100 WeakPolarHBondContact O-CG 3.36Å; I96-L100 PolarHBondContact O-N 3.36Å; E97-L100 PolarHBondContact O-N 3.16Å; T98-L100 VanDerWaalsContact C-N 3.33Å; T98-L100 PolarHBondContact O-N 3.12Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.14Å; L100-V103 PolarHBondContact O-N 3.35Å; L100-E104 PolarHBondContact O-N 3.14Å
101N98.2Very high97.1Very high71 Ų7165.9 Ų65.938%0.3832%0.32SS..Hα-helixtrans-60.8-40.9177.8-74.2-29.5000112.3E97 T98 V103 E104 K105E97-N101 WeakPolarHBondContact O-CB 3.3Å; E97-N101 PolarHBondContact O-N 3.27Å; E97-N101 PolarHBondContact O-ND2 3.39Å; T98-N101 PolarHBondContact O-N 3.04Å; N101-V103 VanDerWaalsContact C-N 3.35Å; N101-E104 PolarHBondContact O-N 2.93Å; N101-K105 VanDerWaalsContact O-CG 3.28Å; N101-K105 WeakPolarHBondContact O-CG 3.49Å; N101-K105 PolarHBondContact O-N 3.46Å
102E98.3Very high97.1Very high39 Ų3962.9 Ų62.918%0.18232%0.32CS..Hα-helixtrans-68.7-33.4177.3-67.6-53.1130.900112.3A89 I90 T98 L100 K105 L106A89-E102 HydrophobicContact CB-CB 4.4Å; A89-E102 HydrophobicContact CB-CG 4Å; A89-E102 WeakPolarHBondContact CB-OE2 3.19Å; I90-E102 HydrophobicContact CG1-CB 3.63Å; T98-E102 HydrophobicContact CG2-CG 4.24Å; T98-E102 WeakPolarHBondContact O-CG 3.13Å; T98-E102 PolarHBondContact O-N 3.46Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.14Å; E102-K105 IonicContact OE1-NZ 2.72Å; E102-K105 PolarHBondContact OE1-NZ 2.88Å; E102-L106 WeakPolarHBondContact O-CB 3.44Å; E102-L106 PolarHBondContact O-N 2.97Å
103V98.4Very high96.9Very high0 Ų058.1 Ų58.10%030%0.298CS..Hα-helixtrans-65.6-45.7171.1177.20000110.5V21 F39 L60 I90 R99 L100 N101 L106 L107V21-V103 HydrophobicContact CG1-CG1 4.4Å; V21-V103 HydrophobicContact CG2-CB 4.19Å; V21-V103 HydrophobicContact CG2-CG1 3.81Å; F39-V103 HydrophobicContact CB-CG1 4.46Å; F39-V103 HydrophobicContact CD1-CG2 3.93Å; F39-V103 HydrophobicContact CD2-CG1 4.28Å; F39-V103 HydrophobicContact CD2-CG2 4.07Å; F39-V103 HydrophobicContact CE1-CG2 3.66Å; F39-V103 HydrophobicContact CE2-CG2 3.81Å; F39-V103 HydrophobicContact CG-CG1 4.18Å; F39-V103 HydrophobicContact CG-CG2 4.14Å; F39-V103 HydrophobicContact CZ-CG2 3.6Å; L60-V103 HydrophobicContact CD1-CG1 4.03Å; L60-V103 HydrophobicContact CD1-CG2 4.13Å; I90-V103 HydrophobicContact CD1-CB 4.36Å; I90-V103 HydrophobicContact CD1-CG2 3.75Å; I90-V103 HydrophobicContact CG1-CG2 3.85Å; I90-V103 HydrophobicContact CG2-CG2 3.88Å; R99-V103 VanDerWaalsContact O-CG2 3.3Å; R99-V103 WeakPolarHBondContact O-CG2 3.24Å; R99-V103 PolarHBondContact O-N 2.73Å; R99-V103 VanDerWaalsContact O-N 3.14Å; L100-V103 PolarHBondContact O-N 3.35Å; N101-V103 VanDerWaalsContact C-N 3.35Å; V103-L106 PolarHBondContact O-N 3Å; V103-L107 HydrophobicContact CG1-CD1 3.99Å; V103-L107 HydrophobicContact CG1-CG 4.36Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 3.41Å
104E98.4Very high96.7Very high46 Ų4660.9 Ų60.922%0.21531%0.314CS..Hα-helixtrans-59-50.6178.4-170.8162.3120.600111.2W20 V21 L100 N101 L106 L107 E108W20-E104 VanDerWaalsContact CA-OE2 3.31Å; W20-E104 WeakPolarHBondContact CA-OE2 3.29Å; V21-E104 HydrophobicContact CB-CB 4.42Å; V21-E104 HydrophobicContact CG2-CB 3.75Å; V21-E104 HydrophobicContact CG2-CG 4.38Å; V21-E104 PolarHBondContact N-OE2 2.99Å; L100-E104 PolarHBondContact O-N 3.14Å; N101-E104 PolarHBondContact O-N 2.93Å; E104-L106 VanDerWaalsContact C-N 3.28Å; E104-L106 PolarHBondContact O-N 3.1Å; E104-L107 PolarHBondContact O-N 2.9Å; E104-L107 VanDerWaalsContact O-N 3.1Å; E104-E108 HydrophobicContact CG-CG 4.43Å; E104-E108 WeakPolarHBondContact O-CB 3.3Å; E104-E108 WeakPolarHBondContact O-CG 3.35Å; E104-E108 PolarHBondContact O-N 2.99Å
105K98Very high96.7Very high105 Ų10556 Ų5646%0.45730%0.3SS..Hα-helixtrans-56.4-40.4176-71.6172.1-168.8169.70112.8N101 E102 T109N101-K105 VanDerWaalsContact O-CG 3.28Å; N101-K105 WeakPolarHBondContact O-CG 3.49Å; N101-K105 PolarHBondContact O-N 3.46Å; E102-K105 IonicContact OE1-NZ 2.72Å; E102-K105 PolarHBondContact OE1-NZ 2.88Å; K105-T109 WeakPolarHBondContact O-CB 3.5Å; K105-T109 PolarHBondContact O-N 3.29Å; K105-T109 PolarHBondContact O-OG1 3.2Å
106L97.6Very high96.6Very high5 Ų556.8 Ų56.83%0.02630%0.3CS..Hα-helixtrans-63.8-46.7177.1176.264.1000110.9L60 L83 L87 I90 E102 V103 E104 T109 V110L60-L106 HydrophobicContact CB-CD2 4.37Å; L60-L106 HydrophobicContact CD1-CD2 4.41Å; L83-L106 HydrophobicContact CD2-CD1 3.71Å; L87-L106 HydrophobicContact CD2-CD2 3.79Å; L87-L106 HydrophobicContact CG-CD2 4.18Å; I90-L106 HydrophobicContact CD1-CB 4.24Å; I90-L106 HydrophobicContact CD1-CD2 3.61Å; E102-L106 WeakPolarHBondContact O-CB 3.44Å; E102-L106 PolarHBondContact O-N 2.97Å; V103-L106 PolarHBondContact O-N 3Å; E104-L106 VanDerWaalsContact C-N 3.28Å; E104-L106 PolarHBondContact O-N 3.1Å; L106-T109 WeakPolarHBondContact O-CB 3.47Å; L106-T109 PolarHBondContact O-N 3.22Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.46Å
107L98.1Very high96.5Very high0 Ų051.9 Ų51.90%027%0.274CS..Hα-helixtrans-66.6-41.7179.5-64.8174.9000111.6C19 V21 I41 L60 V103 E104 T109 V110 I111 F126 F127C19-L107 HydrophobicContact CB-CB 4.44Å; C19-L107 WeakPolarHBondContact SG-CB 3.42Å; V21-L107 HydrophobicContact CG2-CD1 4.11Å; I41-L107 HydrophobicContact CD1-CD1 3.67Å; I41-L107 HydrophobicContact CG1-CD1 4Å; I41-L107 HydrophobicContact CG2-CD1 3.99Å; L60-L107 HydrophobicContact CD2-CD2 3.85Å; V103-L107 HydrophobicContact CG1-CD1 3.99Å; V103-L107 HydrophobicContact CG1-CG 4.36Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 3.41Å; E104-L107 PolarHBondContact O-N 2.9Å; E104-L107 VanDerWaalsContact O-N 3.1Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.22Å; L107-V110 WeakPolarHBondContact O-CB 3.45Å; L107-V110 PolarHBondContact O-N 3.28Å; L107-V110 VanDerWaalsContact O-N 3.13Å; L107-I111 PolarHBondContact O-N 2.93Å; L107-F126 HydrophobicContact CD2-CE1 3.68Å; L107-F126 HydrophobicContact CD2-CZ 4.06Å; L107-F127 HydrophobicContact CB-CZ 4.46Å; L107-F127 HydrophobicContact CD2-CE1 4.14Å; L107-F127 HydrophobicContact CD2-CZ 3.97Å
108E97.4Very high96.4Very high87 Ų8745.8 Ų45.841%0.40725%0.247SC..Hα-helixtrans-57.9-43.4173-77-169.8153.400111.5E104 V110 I111 S112E104-E108 HydrophobicContact CG-CG 4.43Å; E104-E108 WeakPolarHBondContact O-CB 3.3Å; E104-E108 WeakPolarHBondContact O-CG 3.35Å; E104-E108 PolarHBondContact O-N 2.99Å; E108-V110 VanDerWaalsContact C-N 3.33Å; E108-V110 PolarHBondContact O-N 2.89Å; E108-I111 WeakPolarHBondContact O-CG1 3.33Å; E108-I111 PolarHBondContact O-N 3.03Å; E108-S112 WeakPolarHBondContact O-CB 3.39Å; E108-S112 PolarHBondContact O-N 2.7Å; E108-S112 PolarHBondContact O-OG 3.34Å
109T96.4Very high96.3Very high52 Ų5247.6 Ų47.632%0.31925%0.248SC..Hα-helixtrans-59.3-46175.3-62.40000110.7P82 L83 K105 L106 L107 S112 M113P82-T109 HydrophobicContact CB-CG2 3.98Å; L83-T109 HydrophobicContact CD2-CG2 4.3Å; K105-T109 WeakPolarHBondContact O-CB 3.5Å; K105-T109 PolarHBondContact O-N 3.29Å; K105-T109 PolarHBondContact O-OG1 3.2Å; L106-T109 WeakPolarHBondContact O-CB 3.47Å; L106-T109 PolarHBondContact O-N 3.22Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.22Å; T109-S112 PolarHBondContact O-N 2.78Å; T109-M113 HydrophobicContact CG2-CE 4.46Å; T109-M113 VanDerWaalsContact O-CG 3.27Å; T109-M113 WeakPolarHBondContact O-CG 3.48Å; T109-M113 PolarHBondContact O-N 2.67Å
110V96.1Very high96.1Very high1 Ų146 Ų461%0.00624%0.244CC..Hα-helixtrans-61-48179.2169.90000111.5L63 L83 L106 L107 E108 S112 M113 S118 V123 F127L63-V110 HydrophobicContact CD2-CG1 4.38Å; L63-V110 HydrophobicContact CD2-CG2 4.33Å; L83-V110 HydrophobicContact CD2-CG2 3.58Å; L106-V110 WeakPolarHBondContact O-CG2 3.45Å; L106-V110 PolarHBondContact O-N 3.46Å; L107-V110 WeakPolarHBondContact O-CB 3.45Å; L107-V110 PolarHBondContact O-N 3.28Å; L107-V110 VanDerWaalsContact O-N 3.13Å; E108-V110 VanDerWaalsContact C-N 3.33Å; E108-V110 PolarHBondContact O-N 2.89Å; V110-S112 VanDerWaalsContact C-N 3.3Å; V110-S112 PolarHBondContact O-N 3.39Å; V110-M113 WeakPolarHBondContact O-CB 3.25Å; V110-M113 PolarHBondContact O-N 2.86Å; V110-S118 WeakPolarHBondContact O-CB 3.33Å; V110-V123 HydrophobicContact CG1-CG1 3.78Å; V110-V123 HydrophobicContact CG1-CG2 3.87Å; V110-F127 HydrophobicContact CG1-CE2 4.5Å
111I96.4Very high95.9Very high26 Ų2651.8 Ų51.813%0.13327%0.27CS..Hα-helixtrans-73.9-23.4-177.866.2172.8000112.7V16 C19 L107 E108 S118 F127V16-I111 HydrophobicContact CB-CG2 3.99Å; V16-I111 HydrophobicContact CG1-CD1 4.45Å; V16-I111 HydrophobicContact CG1-CG2 4.02Å; C19-I111 HydrophobicContact CB-CD1 4.45Å; L107-I111 PolarHBondContact O-N 2.93Å; E108-I111 WeakPolarHBondContact O-CG1 3.33Å; E108-I111 PolarHBondContact O-N 3.03Å; I111-S118 VanDerWaalsContact O-CB 3.28Å; I111-S118 WeakPolarHBondContact O-CB 3.43Å; I111-F127 HydrophobicContact CG2-CD2 4.49Å; I111-F127 HydrophobicContact CG2-CE2 3.56Å; I111-F127 HydrophobicContact CG2-CZ 3.69Å
112S95.6Very high95.8Very high96 Ų9649.1 Ų49.167%0.67126%0.257SS*.Hα-helixtrans-86.4-5.5177.5-57.40000113.8E108 T109 V110E108-S112 WeakPolarHBondContact O-CB 3.39Å; E108-S112 PolarHBondContact O-N 2.7Å; E108-S112 PolarHBondContact O-OG 3.34Å; T109-S112 PolarHBondContact O-N 2.78Å; V110-S112 VanDerWaalsContact C-N 3.3Å; V110-S112 PolarHBondContact O-N 3.39Å
113M93.8Very high95.7Very high35 Ų3547.3 Ų47.317%0.17225%0.248CC..SBendtrans-60.4158.8174-73.7-165.2164.600111.9L67 L78 L83 T109 V110 C115 Y117 S118L67-M113 HydrophobicContact CD2-SD 4.15Å; L78-M113 HydrophobicContact CD2-SD 4.24Å; L83-M113 HydrophobicContact CD1-CE 3.69Å; L83-M113 HydrophobicContact CD2-CE 3.86Å; L83-M113 HydrophobicContact CG-CE 3.68Å; T109-M113 HydrophobicContact CG2-CE 4.46Å; T109-M113 VanDerWaalsContact O-CG 3.27Å; T109-M113 WeakPolarHBondContact O-CG 3.48Å; T109-M113 PolarHBondContact O-N 2.67Å; V110-M113 WeakPolarHBondContact O-CB 3.25Å; V110-M113 PolarHBondContact O-N 2.86Å; M113-C115 PolarHBondContact O-N 3.18Å; M113-Y117 HydrophobicContact CB-CD2 4.21Å; M113-Y117 HydrophobicContact SD-CD2 4.33Å; M113-Y117 HydrophobicContact SD-CG 4.47Å; M113-S118 WeakPolarHBondContact O-CB 3.23Å; M113-S118 PolarHBondContact O-OG 2.81Å
114P93.4Very high95.5Very high75 Ų7548.6 Ų48.649%0.48726%0.255SS..  trans-44143.1169.4-30.833.8000112.5K116 Y117 S118P114-K116 HydrophobicContact CB-CG 4.24Å; P114-K116 PolarHBondContact O-N 2.9Å; P114-Y117 HydrophobicContact CB-CD2 4.01Å; P114-Y117 HydrophobicContact CB-CE2 4.32Å; P114-Y117 HydrophobicContact CG-CD2 4.12Å; P114-Y117 HydrophobicContact CG-CE2 4.21Å; P114-Y117 PolarHBondContact O-N 2.83Å; P114-S118 PolarHBondContact O-N 2.88Å; P114-S118 VanDerWaalsContact O-N 3.08Å; P114-S118 PolarHBondContact O-OG 2.79Å
115C93.4Very high95.4Very high84 Ų8448.6 Ų48.657%0.56826%0.258SS*.Hα-helixtrans-54.9-30.1-171.859.70000113.8M113 Y117 S118 R119M113-C115 PolarHBondContact O-N 3.18Å; C115-Y117 PolarHBondContact O-N 2.87Å; C115-S118 WeakPolarHBondContact CA-OG 3.36Å; C115-R119 HydrophobicContact CB-CG 4.28Å; C115-R119 VanDerWaalsContact O-CB 3.28Å; C115-R119 WeakPolarHBondContact O-CB 3.43Å; C115-R119 PolarHBondContact O-N 2.78Å
116K92.3Very high95.4Very high93 Ų9344.6 Ų44.640%0.40424%0.241SC..Hα-helixtrans-56.4-31.1173.763.3166.9174158.90113.1F71 D74 E77 P114F71-K116 WeakPolarHBondContact CZ-O 3.47Å; D74-K116 IonicContact OD1-NZ 3.03Å; D74-K116 PolarHBondContact OD1-NZ 3.46Å; D74-K116 VanDerWaalsContact OD1-NZ 3.16Å; D74-K116 IonicContact OD2-NZ 3.16Å; D74-K116 PolarHBondContact OD2-NZ 3.17Å; E77-K116 IonicContact OE2-NZ 2.74Å; P114-K116 HydrophobicContact CB-CG 4.24Å; P114-K116 PolarHBondContact O-N 2.9Å
117Y93.4Very high95.4Very high4 Ų444.3 Ų44.32%0.01624%0.239CC..Hα-helixtrans-97.1-53.3178-50.5-53.9000111.9F71 D74 E77 L78 M113 P114 C115 R119 S120 V123F71-Y117 HydrophobicContact CB-CE1 4.29Å; F71-Y117 HydrophobicContact CD1-CD1 4.3Å; F71-Y117 HydrophobicContact CD1-CE1 4.2Å; F71-Y117 AromaticContact CD2-CD1 3.83Å; F71-Y117 HydrophobicContact CD2-CD1 3.83Å; F71-Y117 HydrophobicContact CD2-CE1 4.2Å; F71-Y117 HydrophobicContact CE1-CD1 4.4Å; F71-Y117 AromaticContact CE2-CD1 3.96Å; F71-Y117 HydrophobicContact CE2-CD1 3.96Å; F71-Y117 HydrophobicContact CG-CD1 4.04Å; F71-Y117 AromaticContact CG-CE1 3.97Å; F71-Y117 HydrophobicContact CG-CE1 3.97Å; F71-Y117 HydrophobicContact CZ-CD1 4.26Å; D74-Y117 HydrophobicContact CB-CE1 4.07Å; D74-Y117 WeakPolarHBondContact CB-OH 3.4Å; D74-Y117 WeakPolarHBondContact OD2-CE1 3.3Å; D74-Y117 PolarHBondContact OD2-OH 3.37Å; D74-Y117 VanDerWaalsContact OD2-OH 3.09Å; E77-Y117 PolarHBondContact OE2-OH 2.62Å; L78-Y117 HydrophobicContact CD1-CD1 4.22Å; L78-Y117 HydrophobicContact CD1-CE1 3.89Å; L78-Y117 HydrophobicContact CD2-CD1 3.87Å; L78-Y117 HydrophobicContact CD2-CD2 4.21Å; L78-Y117 HydrophobicContact CD2-CE1 3.8Å; L78-Y117 HydrophobicContact CD2-CE2 4.13Å; L78-Y117 HydrophobicContact CD2-CG 4.06Å; L78-Y117 HydrophobicContact CG-CD1 4.45Å; L78-Y117 HydrophobicContact CG-CE1 3.99Å; M113-Y117 HydrophobicContact CB-CD2 4.21Å; M113-Y117 HydrophobicContact SD-CD2 4.33Å; M113-Y117 HydrophobicContact SD-CG 4.47Å; P114-Y117 HydrophobicContact CB-CD2 4.01Å; P114-Y117 HydrophobicContact CB-CE2 4.32Å; P114-Y117 HydrophobicContact CG-CD2 4.12Å; P114-Y117 HydrophobicContact CG-CE2 4.21Å; P114-Y117 PolarHBondContact O-N 2.83Å; C115-Y117 PolarHBondContact O-N 2.87Å; Y117-R119 PolarHBondContact O-N 3.09Å; Y117-S120 WeakPolarHBondContact O-CB 3.48Å; Y117-S120 PolarHBondContact O-N 2.8Å; Y117-S120 PolarHBondContact O-OG 3.3Å; Y117-V123 WeakPolarHBondContact O-CG2 3.44Å
118S94.9Very high95.2Very high14 Ų1448.4 Ų48.410%0.09826%0.259CS..Hα-helixtrans-67.4-23.1-173.753.60000113.7V110 I111 M113 P114 C115 V123V110-S118 WeakPolarHBondContact O-CB 3.33Å; I111-S118 VanDerWaalsContact O-CB 3.28Å; I111-S118 WeakPolarHBondContact O-CB 3.43Å; M113-S118 WeakPolarHBondContact O-CB 3.23Å; M113-S118 PolarHBondContact O-OG 2.81Å; P114-S118 PolarHBondContact O-N 2.88Å; P114-S118 VanDerWaalsContact O-N 3.08Å; P114-S118 PolarHBondContact O-OG 2.79Å; C115-S118 WeakPolarHBondContact CA-OG 3.36Å; S118-V123 VanDerWaalsContact O-CG1 3.31Å; S118-V123 WeakPolarHBondContact O-CG1 3.16Å
119R95.3Very high95.1Very high93 Ų9349.5 Ų49.535%0.35126%0.259SS..THydrogen-bonded Turntrans-106.512.7174.1-48.7-172.4-178.6-177.7-3.2113N13 F15 C115 Y117N13-R119 PolarHBondContact OD1-NH1 3.38Å; F15-R119 HydrophobicContact CB-CG 3.94Å; C115-R119 HydrophobicContact CB-CG 4.28Å; C115-R119 VanDerWaalsContact O-CB 3.28Å; C115-R119 WeakPolarHBondContact O-CB 3.43Å; C115-R119 PolarHBondContact O-N 2.78Å; Y117-R119 PolarHBondContact O-N 3.09Å
120S93.9Very high94.9Very high13 Ų1348.4 Ų48.49%0.09125%0.253CS..SBendtrans-68.3150.6174.769.80000110.7Y117 V122 V123 L124Y117-S120 WeakPolarHBondContact O-CB 3.48Å; Y117-S120 PolarHBondContact O-N 2.8Å; Y117-S120 PolarHBondContact O-OG 3.3Å; S120-V122 PolarHBondContact O-N 2.75Å; S120-V122 VanDerWaalsContact O-N 3.14Å; S120-V123 PolarHBondContact O-N 2.96Å; S120-V123 PolarHBondContact OG-N 2.75Å; S120-L124 WeakPolarHBondContact O-CG 3.44Å; S120-L124 PolarHBondContact O-N 3.42Å
121E94.7Very high94.7Very high149 Ų14953.1 Ų53.170%0.69628%0.284SS*.Hα-helixtrans-51.3-39.2175.8-175-172.8163.800111.9V123 L124 T125E121-V123 VanDerWaalsContact C-N 3.33Å; E121-V123 PolarHBondContact O-N 2.82Å; E121-L124 PolarHBondContact O-N 3.13Å; E121-T125 HydrophobicContact CG-CG2 3.97Å; E121-T125 VanDerWaalsContact O-CB 3.31Å; E121-T125 WeakPolarHBondContact O-CB 3.18Å; E121-T125 VanDerWaalsContact O-CG2 3.23Å; E121-T125 WeakPolarHBondContact O-CG2 3.36Å; E121-T125 PolarHBondContact O-N 3.24Å; E121-T125 PolarHBondContact O-OG1 3.07Å
122V95Very high94.4Very high15 Ų1554.4 Ų54.49%0.09129%0.291CS..Hα-helixtrans-59.4-42.2178.3175.60000112.2L63 R66 L67 A70 S120 T125 F126L63-V122 HydrophobicContact CD1-CG1 4.1Å; R66-V122 HydrophobicContact CB-CG1 3.51Å; R66-V122 HydrophobicContact CB-CG2 4.34Å; L67-V122 HydrophobicContact CB-CG1 4.43Å; A70-V122 HydrophobicContact CB-CG2 3.82Å; S120-V122 PolarHBondContact O-N 2.75Å; S120-V122 VanDerWaalsContact O-N 3.14Å; V122-T125 PolarHBondContact O-OG1 3.1Å; V122-F126 PolarHBondContact O-N 3.28Å
123V96.1Very high94.3Very high1 Ų150 Ų501%0.00626%0.26CS..Hα-helixtrans-75.8-45.4179.1174.60000110.6L63 L67 V110 Y117 S118 S120 E121 T125 F126 F127L63-V123 HydrophobicContact CD1-CG2 4.34Å; L67-V123 HydrophobicContact CD1-CG2 3.91Å; V110-V123 HydrophobicContact CG1-CG1 3.78Å; V110-V123 HydrophobicContact CG1-CG2 3.87Å; Y117-V123 WeakPolarHBondContact O-CG2 3.44Å; S118-V123 VanDerWaalsContact O-CG1 3.31Å; S118-V123 WeakPolarHBondContact O-CG1 3.16Å; S120-V123 PolarHBondContact O-N 2.96Å; S120-V123 PolarHBondContact OG-N 2.75Å; E121-V123 VanDerWaalsContact C-N 3.33Å; E121-V123 PolarHBondContact O-N 2.82Å; V123-T125 PolarHBondContact O-N 3.19Å; V123-F126 WeakPolarHBondContact O-CB 3.38Å; V123-F126 PolarHBondContact O-N 2.77Å; V123-F127 HydrophobicContact CG1-CD2 3.94Å; V123-F127 HydrophobicContact CG1-CE2 3.82Å; V123-F127 VanDerWaalsContact O-CD2 3.27Å; V123-F127 WeakPolarHBondContact O-CD2 3.37Å; V123-F127 PolarHBondContact O-N 2.94Å
124L96.1Very high94Very high26 Ų2653.4 Ų53.414%0.13628%0.275CS..Hα-helixtrans-62.8-46-178-61.3-177.4000111.5W45 S120 E121 F126 F127 E128W45-L124 HydrophobicContact CH2-CD2 4.44Å; W45-L124 HydrophobicContact CZ3-CD2 4.02Å; S120-L124 WeakPolarHBondContact O-CG 3.44Å; S120-L124 PolarHBondContact O-N 3.42Å; E121-L124 PolarHBondContact O-N 3.13Å; L124-F126 VanDerWaalsContact C-N 3.25Å; L124-F126 PolarHBondContact O-N 2.99Å; L124-F127 PolarHBondContact O-N 2.76Å; L124-E128 WeakPolarHBondContact O-CG 3.3Å; L124-E128 PolarHBondContact O-N 2.7Å; L124-E128 VanDerWaalsContact O-N 3.1Å
125T95.5Very high93.8Very high47 Ų4753.7 Ų53.729%0.28828%0.275SS..Hα-helixtrans-64.1-27.9177.355.70000113.3E121 V122 V123 F127 E128E121-T125 HydrophobicContact CG-CG2 3.97Å; E121-T125 VanDerWaalsContact O-CB 3.31Å; E121-T125 WeakPolarHBondContact O-CB 3.18Å; E121-T125 VanDerWaalsContact O-CG2 3.23Å; E121-T125 WeakPolarHBondContact O-CG2 3.36Å; E121-T125 PolarHBondContact O-N 3.24Å; E121-T125 PolarHBondContact O-OG1 3.07Å; V122-T125 PolarHBondContact O-OG1 3.1Å; V123-T125 PolarHBondContact O-N 3.19Å; T125-F127 VanDerWaalsContact C-N 3.31Å; T125-E128 PolarHBondContact O-N 3.14Å
126F97.6Very high93.4Very high20 Ų2050.3 Ų50.39%0.08825%0.252CS..Hα-helixtrans-65.7-35.9173172-89.5000112R55 D59 L60 L63 L107 V122 V123 L124R55-F126 HydrophobicContact CB-CE2 4.39Å; R55-F126 HydrophobicContact CB-CZ 4.1Å; R55-F126 HydrophobicContact CG-CE1 4.35Å; R55-F126 HydrophobicContact CG-CE2 3.98Å; R55-F126 HydrophobicContact CG-CZ 3.67Å; R55-F126 PolarHBondContact NE-O 2.89Å; R55-F126 PolarHBondContact NH2-O 3.45Å; D59-F126 HydrophobicContact CB-CE2 4.06Å; L60-F126 HydrophobicContact CD2-CE2 4.25Å; L60-F126 HydrophobicContact CD2-CZ 3.67Å; L63-F126 HydrophobicContact CB-CD2 3.86Å; L63-F126 HydrophobicContact CB-CE2 4.15Å; L63-F126 HydrophobicContact CB-CG 4.38Å; L63-F126 HydrophobicContact CD1-CB 3.9Å; L63-F126 HydrophobicContact CD1-CD2 4.37Å; L63-F126 HydrophobicContact CD1-CG 4.08Å; L63-F126 HydrophobicContact CD2-CD1 3.82Å; L63-F126 HydrophobicContact CD2-CD2 3.94Å; L63-F126 HydrophobicContact CD2-CE1 3.98Å; L63-F126 HydrophobicContact CD2-CE2 4.06Å; L63-F126 HydrophobicContact CD2-CG 3.81Å; L63-F126 HydrophobicContact CD2-CZ 4.1Å; L63-F126 HydrophobicContact CG-CD2 4.27Å; L63-F126 HydrophobicContact CG-CG 4.31Å; L107-F126 HydrophobicContact CD2-CE1 3.68Å; L107-F126 HydrophobicContact CD2-CZ 4.06Å; V122-F126 PolarHBondContact O-N 3.28Å; V123-F126 WeakPolarHBondContact O-CB 3.38Å; V123-F126 PolarHBondContact O-N 2.77Å; L124-F126 VanDerWaalsContact C-N 3.25Å; L124-F126 PolarHBondContact O-N 2.99Å
127F97.5Very high92.9Very high0 Ų051.7 Ų51.70%026%0.258CS..Hα-helixtrans-89.3-6.4180-70.7-68000113.9V16 C19 T43 W45 L51 L53 L107 V110 I111 V123 L124 T125V16-F127 HydrophobicContact CB-CD2 4.45Å; V16-F127 HydrophobicContact CG2-CB 3.69Å; V16-F127 HydrophobicContact CG2-CD1 4.49Å; V16-F127 HydrophobicContact CG2-CD2 3.65Å; V16-F127 HydrophobicContact CG2-CE2 4.37Å; V16-F127 HydrophobicContact CG2-CG 3.71Å; C19-F127 HydrophobicContact CB-CE1 4.48Å; T43-F127 HydrophobicContact CG2-CD1 3.55Å; T43-F127 HydrophobicContact CG2-CE1 4.01Å; T43-F127 HydrophobicContact CG2-CG 4.44Å; W45-F127 HydrophobicContact CH2-CB 4.12Å; W45-F127 HydrophobicContact CZ2-CB 3.6Å; W45-F127 WeakPolarHBondContact CZ2-O 3.26Å; L51-F127 WeakPolarHBondContact CD1-O 3.49Å; L53-F127 HydrophobicContact CD1-CB 4.3Å; L53-F127 HydrophobicContact CD1-CD1 4.04Å; L53-F127 WeakPolarHBondContact CD1-O 3.37Å; L107-F127 HydrophobicContact CB-CZ 4.46Å; L107-F127 HydrophobicContact CD2-CE1 4.14Å; L107-F127 HydrophobicContact CD2-CZ 3.97Å; V110-F127 HydrophobicContact CG1-CE2 4.5Å; I111-F127 HydrophobicContact CG2-CD2 4.49Å; I111-F127 HydrophobicContact CG2-CE2 3.56Å; I111-F127 HydrophobicContact CG2-CZ 3.69Å; V123-F127 HydrophobicContact CG1-CD2 3.94Å; V123-F127 HydrophobicContact CG1-CE2 3.82Å; V123-F127 VanDerWaalsContact O-CD2 3.27Å; V123-F127 WeakPolarHBondContact O-CD2 3.37Å; V123-F127 PolarHBondContact O-N 2.94Å; L124-F127 PolarHBondContact O-N 2.76Å; T125-F127 VanDerWaalsContact C-N 3.31Å
128E95.1Very high91.7Very high86 Ų8656.6 Ų56.640%0.40228%0.284SS..SBendtrans-70.9158.5173.7-77.4171.3-174.700112.3W45 R55 L124 T125 S130W45-E128 HydrophobicContact CH2-CG 4.24Å; R55-E128 PolarHBondContact NH2-O 3.04Å; L124-E128 WeakPolarHBondContact O-CG 3.3Å; L124-E128 PolarHBondContact O-N 2.7Å; L124-E128 VanDerWaalsContact O-N 3.1Å; T125-E128 PolarHBondContact O-N 3.14Å; E128-S130 PolarHBondContact O-N 3.38Å
129R94.8Very high90.2Very high109 Ų10958.7 Ų58.741%0.41130%0.295SS..PPolyproline II helixtrans-64.7121.3176.3-72.7-173.7176.9105.32.5110.6L51 L53 D133L51-R129 HydrophobicContact CD1-CG 4.43Å; L51-R129 HydrophobicContact CD2-CG 4.47Å; L51-R129 VanDerWaalsContact CD2-NH2 3.29Å; L53-R129 HydrophobicContact CD2-CG 4.38Å; R129-D133 HydrophobicContact CB-CB 4.39Å
130S92.3Very high88Confident29 Ų2961 Ų6120%0.20331%0.314CS..PPolyproline II helixtrans-79166169.472.60000111.2R55 E128 L132 D133 Q134R55-S130 PolarHBondContact NH1-OG 3.39Å; E128-S130 PolarHBondContact O-N 3.38Å; S130-L132 PolarHBondContact O-N 2.94Å; S130-L132 PolarHBondContact OG-N 3.36Å; S130-D133 WeakPolarHBondContact CB-OD2 3.49Å; S130-D133 PolarHBondContact N-OD2 3.13Å; S130-D133 WeakPolarHBondContact O-CB 3.27Å; S130-D133 PolarHBondContact O-N 2.87Å; S130-D133 VanDerWaalsContact O-N 3.1Å; S130-D133 PolarHBondContact OG-N 2.97Å; S130-D133 PolarHBondContact OG-OD2 2.85Å; S130-Q134 PolarHBondContact O-N 3.26Å
131P90.7Very high85.8Confident101 Ų10166 Ų6666%0.65634%0.343SS*.Hα-helixtrans-55.6-37.2170.9-26.435.8000112.8D133 Q134 V135P131-D133 VanDerWaalsContact C-N 3.33Å; P131-D133 PolarHBondContact O-N 3.07Å; P131-Q134 PolarHBondContact O-N 3.03Å; P131-V135 WeakPolarHBondContact O-CG2 3.28Å; P131-V135 PolarHBondContact O-N 2.85Å; P131-V135 VanDerWaalsContact O-N 3.1Å
132L90.6Very high83.4Confident53 Ų5365 Ų6528%0.27734%0.338SS..Hα-helixtrans-59.4-45.3175.3179.564.4000111L27 F38 H54 S130 Q134 V135 L136L27-L132 HydrophobicContact CD1-CD1 4.04Å; L27-L132 HydrophobicContact CD1-CD2 4.29Å; F38-L132 HydrophobicContact CD1-CD2 3.77Å; F38-L132 HydrophobicContact CE1-CD2 3.52Å; F38-L132 HydrophobicContact CG-CD2 4.39Å; F38-L132 HydrophobicContact CZ-CD2 3.94Å; H54-L132 HydrophobicContact CB-CD2 4.04Å; S130-L132 PolarHBondContact O-N 2.94Å; S130-L132 PolarHBondContact OG-N 3.36Å; L132-Q134 PolarHBondContact O-N 2.87Å; L132-V135 PolarHBondContact O-N 3.4Å; L132-L136 HydrophobicContact CD1-CD1 3.85Å; L132-L136 HydrophobicContact CD1-CD2 4.39Å; L132-L136 HydrophobicContact CD1-CG 3.95Å; L132-L136 HydrophobicContact CD2-CD1 4.39Å; L132-L136 HydrophobicContact CG-CD1 3.8Å; L132-L136 HydrophobicContact CG-CG 4.22Å; L132-L136 WeakPolarHBondContact O-CB 3.49Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.03Å; L132-L136 PolarHBondContact O-N 3.01Å
133D93.1Very high80.9Confident4 Ų473.5 Ų73.52%0.02137%0.374CS..Hα-helixtrans-62.7-33.5-180-58.6-45.3000112.4L53 H54 R55 R129 S130 P131 K137L53-D133 VanDerWaalsContact CA-OD1 3.29Å; L53-D133 WeakPolarHBondContact CA-OD1 3.31Å; H54-D133 IonicContact CG-OD1 3.57Å; H54-D133 PolarHBondContact N-OD1 2.89Å; H54-D133 IonicContact ND1-OD1 3.62Å; H54-D133 PolarHBondContact ND1-OD1 2.7Å; R55-D133 IonicContact CZ-OD2 3.67Å; R55-D133 IonicContact NH1-OD1 3.42Å; R55-D133 IonicContact NH1-OD2 3.08Å; R55-D133 PolarHBondContact NH1-OD2 2.79Å; R55-D133 IonicContact NH2-OD2 2.62Å; R129-D133 HydrophobicContact CB-CB 4.39Å; S130-D133 WeakPolarHBondContact CB-OD2 3.49Å; S130-D133 PolarHBondContact N-OD2 3.13Å; S130-D133 WeakPolarHBondContact O-CB 3.27Å; S130-D133 PolarHBondContact O-N 2.87Å; S130-D133 VanDerWaalsContact O-N 3.1Å; S130-D133 PolarHBondContact OG-N 2.97Å; S130-D133 PolarHBondContact OG-OD2 2.85Å; P131-D133 VanDerWaalsContact C-N 3.33Å; P131-D133 PolarHBondContact O-N 3.07Å; D133-K137 WeakPolarHBondContact O-CB 3.45Å; D133-K137 PolarHBondContact O-N 2.88Å
134Q89.5Confident78.7Confident105 Ų10580.7 Ų80.749%0.49141%0.411SS..Hα-helixtrans-69.9-44.6176.9-63.2176.432.200111.2S130 P131 L132 K137 N138S130-Q134 PolarHBondContact O-N 3.26Å; P131-Q134 PolarHBondContact O-N 3.03Å; L132-Q134 PolarHBondContact O-N 2.87Å; Q134-K137 PolarHBondContact O-N 2.81Å; Q134-N138 PolarHBondContact O-N 3.06Å; Q134-N138 PolarHBondContact O-ND2 3.25Å; Q134-N138 VanDerWaalsContact O-ND2 3.14Å
135V87.8Confident76.2Confident81 Ų8186.9 Ų86.949%0.49144%0.439SS..Hα-helixtrans-60.3-52.2175.7175.10000110.1P131 L132 K137 N138 D139P131-V135 WeakPolarHBondContact O-CG2 3.28Å; P131-V135 PolarHBondContact O-N 2.85Å; P131-V135 VanDerWaalsContact O-N 3.1Å; L132-V135 PolarHBondContact O-N 3.4Å; V135-K137 VanDerWaalsContact C-N 3.29Å; V135-K137 PolarHBondContact O-N 2.86Å; V135-N138 CarbonylContact O-C 3.57Å; V135-N138 WeakPolarHBondContact O-CA 3.35Å; V135-N138 WeakPolarHBondContact O-CB 3.35Å; V135-N138 PolarHBondContact O-N 3.25Å; V135-D139 PolarHBondContact O-N 3.25Å
136L86.3Confident73.7Confident14 Ų1489.2 Ų89.27%0.07346%0.455CS..Hα-helixtrans-67.5-27.7-176.8-63.3-177.4000113.4L27 H54 L132 N138 D139L27-L136 HydrophobicContact CD1-CD1 3.82Å; L27-L136 HydrophobicContact CD1-CD2 4.38Å; L27-L136 HydrophobicContact CD2-CD2 4.42Å; H54-L136 HydrophobicContact CB-CD1 4.21Å; L132-L136 HydrophobicContact CD1-CD1 3.85Å; L132-L136 HydrophobicContact CD1-CD2 4.39Å; L132-L136 HydrophobicContact CD1-CG 3.95Å; L132-L136 HydrophobicContact CD2-CD1 4.39Å; L132-L136 HydrophobicContact CG-CD1 3.8Å; L132-L136 HydrophobicContact CG-CG 4.22Å; L132-L136 WeakPolarHBondContact O-CB 3.49Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.03Å; L132-L136 PolarHBondContact O-N 3.01Å; L136-N138 VanDerWaalsContact C-N 3.34Å; L136-D139 WeakPolarHBondContact CD2-OD2 3.26Å
137K80.9Confident71.4Confident121 Ų12193.8 Ų93.853%0.52649%0.49SS..Hα-helixtrans-65.7-39.3171-177.9-176.4176.3-168.40111.4D133 Q134 V135 N140D133-K137 WeakPolarHBondContact O-CB 3.45Å; D133-K137 PolarHBondContact O-N 2.88Å; Q134-K137 PolarHBondContact O-N 2.81Å; V135-K137 VanDerWaalsContact C-N 3.29Å; V135-K137 PolarHBondContact O-N 2.86Å; K137-N140 PolarHBondContact O-ND2 3.42Å
138N68.8Low69.1Low107 Ų107102.6 Ų102.657%0.57253%0.528SS*.Hα-helixtrans-78.7-22.9-179.7-62.2-21.4000112.3Q134 V135 L136 N140 V141Q134-N138 PolarHBondContact O-N 3.06Å; Q134-N138 PolarHBondContact O-ND2 3.25Å; Q134-N138 VanDerWaalsContact O-ND2 3.14Å; V135-N138 CarbonylContact O-C 3.57Å; V135-N138 WeakPolarHBondContact O-CA 3.35Å; V135-N138 WeakPolarHBondContact O-CB 3.35Å; V135-N138 PolarHBondContact O-N 3.25Å; L136-N138 VanDerWaalsContact C-N 3.34Å; N138-N140 PolarHBondContact O-N 3.33Å; N138-V141 PolarHBondContact O-N 2.88Å
139D62.3Low66.9Low59 Ų59107.1 Ų107.132%0.31655%0.55SS..G310 helixtrans-64.1-6.6174.2-73.8-14.2000114V135 L136 V141 H142 K143V135-D139 PolarHBondContact O-N 3.25Å; L136-D139 WeakPolarHBondContact CD2-OD2 3.26Å; D139-V141 PolarHBondContact O-N 3.44Å; D139-V141 VanDerWaalsContact O-N 3.11Å; D139-H142 CarbonylContact O-C 3.04Å; D139-H142 PolarHBondContact O-N 2.93Å; D139-K143 PolarHBondContact O-N 3.42Å
140N50.4Low64.8Low141 Ų141105.4 Ų105.475%0.75455%0.554SS**G310 helixtrans-61.9-11.2164.3-70.5-59.8000113.3K137 N138K137-N140 PolarHBondContact O-ND2 3.42Å; N138-N140 PolarHBondContact O-N 3.33Å
141V47.5Very low63.4Low117 Ų117110.1 Ų110.171%0.70958%0.584SS**G310 helixtrans-87.7-16.9170.4-175.20000111.8N138 D139N138-V141 PolarHBondContact O-N 2.88Å; D139-V141 PolarHBondContact O-N 3.44Å; D139-V141 VanDerWaalsContact O-N 3.11Å
142H44.5Very low61.8Low128 Ų128108.3 Ų108.359%0.59357%0.571SS**  trans-136.468.2179.5-56.166.3000108.7D139 I144D139-H142 CarbonylContact O-C 3.04Å; D139-H142 PolarHBondContact O-N 2.93Å; H142-I144 PolarHBondContact O-N 2.95Å
143K42.5Very low60.8Low195 Ų195112.8 Ų112.885%0.84859%0.588SS**SBendtrans-41.2112.1131.3-85-177.1178.9178.70103.5D139 Q145D139-K143 PolarHBondContact O-N 3.42Å; K143-Q145 PolarHBondContact O-N 2.92Å
144I49.7Very low59.1Low151 Ų151118.8 Ų118.877%0.77462%0.619SS**  trans-45.197.5-177.2-64.3165.8000105.9H142 P146H142-I144 PolarHBondContact O-N 2.95Å; I144-P146 WeakPolarHBondContact O-CD 3.34Å; I144-P146 VanDerWaalsContact O-N 3.15Å
145Q42.8Very low57.7Low157 Ų157117.6 Ų117.673%0.73462%0.622SS**  trans-62.3118.2161.2-147.4178.431.40099.4K143 S147K143-Q145 PolarHBondContact O-N 2.92Å; Q145-S147 PolarHBondContact O-N 2.72Å
146P43.9Very low56.5Low95 Ų95118.3 Ų118.362%0.61762%0.62SS**  trans-51.9115.5175.72.5-0.3000104.3I144 F148I144-P146 WeakPolarHBondContact O-CD 3.34Å; I144-P146 VanDerWaalsContact O-N 3.15Å; P146-F148 CarbonylContact O-C 3.34Å; P146-F148 PolarHBondContact O-N 2.89Å
147S47.7Very low55.4Low117 Ų117120 Ų12082%0.81863%0.628SS**SBendtrans-72.131.4-179.447.90000111Q145Q145-S147 PolarHBondContact O-N 2.72Å
148F49.3Very low54.2Low185 Ų185121.5 Ų121.581%0.81164%0.64SS**  trans-94.487.5147.2-64.9-78.3000106.3P146 S150P146-F148 CarbonylContact O-C 3.34Å; P146-F148 PolarHBondContact O-N 2.89Å; F148-S150 PolarHBondContact O-N 2.76Å
149Q48.7Very low54Low181 Ų181127 Ų12785%0.84665%0.652SS**  trans-57.4102.2142.6-93.6-177.2-11.400104.6P151Q149-P151 WeakPolarHBondContact O-CD 3.34Å
150S52.6Low53.7Low73 Ų73126.6 Ų126.651%0.5165%0.654SS.*  trans-47.4121.1161.9166.90000105.4F148 V152F148-S150 PolarHBondContact O-N 2.76Å; S150-V152 PolarHBondContact O-N 2.8Å; S150-V152 PolarHBondContact OG-N 2.6Å; S150-V152 PolarHBondContact OG-O 2.88Å
151P61.2Low53.9Low128 Ų128128.5 Ų128.583%0.83166%0.664SS**SBendtrans-61.1-817922.8-31.4000112Q149Q149-P151 WeakPolarHBondContact O-CD 3.34Å
152V58.3Low54.5Low62 Ų62125.6 Ų125.638%0.37666%0.658SS.*SBendtrans-109.6124.3177.5-171.30000109.9S150 E156 I157S150-V152 PolarHBondContact O-N 2.8Å; S150-V152 PolarHBondContact OG-N 2.6Å; S150-V152 PolarHBondContact OG-O 2.88Å; V152-E156 WeakPolarHBondContact CA-OE2 3.34Å; V152-E156 HydrophobicContact CG1-CB 3.73Å; V152-I157 HydrophobicContact CG1-CG1 3.78Å
153K68.6Low54.7Low148 Ų148125.2 Ų125.264%0.64366%0.655SS**  trans-72.8147.8174.9-69.4178.7-179.7174.50110.1S155 E156 I157K153-S155 PolarHBondContact O-N 3.33Å; K153-S155 VanDerWaalsContact O-N 3.1Å; K153-E156 HydrophobicContact CB-CG 4.33Å; K153-E156 PolarHBondContact N-OE2 2.62Å; K153-E156 WeakPolarHBondContact O-CA 3.32Å; K153-E156 WeakPolarHBondContact O-CB 3.36Å; K153-E156 PolarHBondContact O-N 2.9Å; K153-I157 PolarHBondContact O-N 3.11Å
154I58.3Low55.2Low130 Ų130121.8 Ų121.867%0.66765%0.654SS**Hα-helixtrans-55-33.1176-66.8159.4000111.6E156 I157 M158I154-E156 VanDerWaalsContact C-N 3.3Å; I154-E156 PolarHBondContact O-N 3.3Å; I154-I157 WeakPolarHBondContact O-CB 3.44Å; I154-I157 PolarHBondContact O-N 3.02Å; I154-M158 HydrophobicContact CG2-SD 4.28Å; I154-M158 WeakPolarHBondContact O-CG 3.27Å; I154-M158 PolarHBondContact O-N 3.32Å
155S59Low55.3Low79 Ų79121.7 Ų121.755%0.55265%0.654SS**Hα-helixtrans-66.4-26.5173.856.70000114.3K153 R159K153-S155 PolarHBondContact O-N 3.33Å; K153-S155 VanDerWaalsContact O-N 3.1Å; S155-R159 WeakPolarHBondContact O-CB 3.5Å; S155-R159 PolarHBondContact O-N 2.76Å
156E64.3Low55.7Low97 Ų97118.5 Ų118.545%0.45366%0.655SS.*Hα-helixtrans-78.9-37.5174.3-69.6166.2167.600110.9V152 K153 I154 R159 S160V152-E156 WeakPolarHBondContact CA-OE2 3.34Å; V152-E156 HydrophobicContact CG1-CB 3.73Å; K153-E156 HydrophobicContact CB-CG 4.33Å; K153-E156 PolarHBondContact N-OE2 2.62Å; K153-E156 WeakPolarHBondContact O-CA 3.32Å; K153-E156 WeakPolarHBondContact O-CB 3.36Å; K153-E156 PolarHBondContact O-N 2.9Å; I154-E156 VanDerWaalsContact C-N 3.3Å; I154-E156 PolarHBondContact O-N 3.3Å; E156-R159 PolarHBondContact O-N 2.91Å; E156-S160 PolarHBondContact O-N 2.81Å
157I62.8Low55.7Low48 Ų48120.2 Ų120.225%0.24666%0.659CS.*Hα-helixtrans-59-48.2172.8-62.8-179.6000110.5V152 K153 I154 R159 S160 F163V152-I157 HydrophobicContact CG1-CG1 3.78Å; K153-I157 PolarHBondContact O-N 3.11Å; I154-I157 WeakPolarHBondContact O-CB 3.44Å; I154-I157 PolarHBondContact O-N 3.02Å; I157-R159 PolarHBondContact O-N 3.49Å; I157-S160 PolarHBondContact O-N 3.1Å; I157-S160 PolarHBondContact O-OG 3.18Å; I157-F163 HydrophobicContact CB-CD2 4.26Å; I157-F163 HydrophobicContact CB-CE2 4.04Å; I157-F163 HydrophobicContact CD1-CE1 4.48Å; I157-F163 HydrophobicContact CD1-CE2 4.2Å; I157-F163 HydrophobicContact CD1-CZ 3.87Å; I157-F163 HydrophobicContact CG1-CD2 4.37Å; I157-F163 HydrophobicContact CG1-CE2 3.65Å; I157-F163 HydrophobicContact CG1-CZ 3.86Å; I157-F163 HydrophobicContact CG2-CB 4.47Å; I157-F163 HydrophobicContact CG2-CD1 4.17Å; I157-F163 HydrophobicContact CG2-CD2 3.6Å; I157-F163 HydrophobicContact CG2-CE1 4.28Å; I157-F163 HydrophobicContact CG2-CE2 3.72Å; I157-F163 HydrophobicContact CG2-CG 3.81Å; I157-F163 HydrophobicContact CG2-CZ 4.06Å
158M54.5Low56Low154 Ų154121.3 Ų121.376%0.75966%0.66SS**THydrogen-bonded Turntrans-68.2-18.2179.1-67.9-179.973.300113.6I154I154-M158 HydrophobicContact CG2-SD 4.28Å; I154-M158 WeakPolarHBondContact O-CG 3.27Å; I154-M158 PolarHBondContact O-N 3.32Å
159R64.9Low56.3Low221 Ų221119.4 Ų119.483%0.83465%0.654SS**THydrogen-bonded Turntrans-93.3-19.1178.7-154.1176-168118.60112.4S155 E156 I157 N161S155-R159 WeakPolarHBondContact O-CB 3.5Å; S155-R159 PolarHBondContact O-N 2.76Å; E156-R159 PolarHBondContact O-N 2.91Å; I157-R159 PolarHBondContact O-N 3.49Å; R159-N161 PolarHBondContact O-N 2.9Å
160S56.5Low56.5Low51 Ų51117.2 Ų117.236%0.35765%0.654SS.*SBendtrans-79.5113.917060.40000109.8E156 I157 G162E156-S160 PolarHBondContact O-N 2.81Å; I157-S160 PolarHBondContact O-N 3.1Å; I157-S160 PolarHBondContact O-OG 3.18Å; S160-G162 PolarHBondContact O-N 2.88Å
161N54.8Low56.6Low181 Ų181120.6 Ų120.697%0.96866%0.664SS**SBendtrans-70.238.7174.7-78.1-17.7000113.2R159R159-N161 PolarHBondContact O-N 2.9Å
162G59.3Low55.7Low56 Ų56120.7 Ų120.758%0.57766%0.662SS**  trans-176.581.3-175.700000111S160S160-G162 PolarHBondContact O-N 2.88Å
163F49.5Very low55.2Low121 Ų121123.7 Ų123.753%0.53168%0.675SS.*  trans-111.9105.3165.7-131.5-95.6000108.5I157 L165I157-F163 HydrophobicContact CB-CD2 4.26Å; I157-F163 HydrophobicContact CB-CE2 4.04Å; I157-F163 HydrophobicContact CD1-CE1 4.48Å; I157-F163 HydrophobicContact CD1-CE2 4.2Å; I157-F163 HydrophobicContact CD1-CZ 3.87Å; I157-F163 HydrophobicContact CG1-CD2 4.37Å; I157-F163 HydrophobicContact CG1-CE2 3.65Å; I157-F163 HydrophobicContact CG1-CZ 3.86Å; I157-F163 HydrophobicContact CG2-CB 4.47Å; I157-F163 HydrophobicContact CG2-CD1 4.17Å; I157-F163 HydrophobicContact CG2-CD2 3.6Å; I157-F163 HydrophobicContact CG2-CE1 4.28Å; I157-F163 HydrophobicContact CG2-CE2 3.72Å; I157-F163 HydrophobicContact CG2-CG 3.81Å; I157-F163 HydrophobicContact CG2-CZ 4.06Å; F163-L165 HydrophobicContact CD1-CD2 4.46Å
164C52.3Low53.6Low123 Ų123123.3 Ų123.383%0.83168%0.68SS**  trans-85.9108.4167.7-56.90000107.2A166C164-A166 PolarHBondContact O-N 3.02Å
165L53Low53.4Low148 Ų148125 Ų12578%0.77569%0.685SS**  trans-67.3101.1165.5-68.9171.4000107.2F163 N167F163-L165 HydrophobicContact CD1-CD2 4.46Å; L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.07Å
166A50.3Low52.4Low90 Ų90125.5 Ų125.574%0.74469%0.688SS**  trans-7096.5165.900000107.3C164 T168C164-A166 PolarHBondContact O-N 3.02Å; A166-T168 PolarHBondContact O-N 3Å; A166-T168 VanDerWaalsContact O-N 3.07Å
167N43.5Very low51.2Low132 Ų132128.5 Ų128.571%0.70671%0.705SS**  trans-56.2112.2163.4-92.9-16000107.3L165 E169L165-N167 VanDerWaalsContact C-N 3.33Å; L165-N167 PolarHBondContact O-N 3.07Å; N167-E169 PolarHBondContact O-N 2.95Å
168T55.3Low50.4Low139 Ų139131.9 Ų131.985%0.85373%0.73SS**  trans-7969.2166.855.20000108.2A166A166-T168 PolarHBondContact O-N 3Å; A166-T168 VanDerWaalsContact O-N 3.07Å
169E54.2Low49.3Very low145 Ų145132.5 Ų132.568%0.67874%0.737SS**  trans-74.5127.6161.650.1-164.816100108.4N167 I171N167-E169 PolarHBondContact O-N 2.95Å; E169-I171 WeakPolarHBondContact O-CG1 3.39Å; E169-I171 PolarHBondContact O-N 2.98Å
170T54.5Low47.8Very low136 Ų136125.1 Ų125.183%0.83473%0.729SS**  trans-60.8103.5179.7-55.60000109.5V172T170-V172 PolarHBondContact O-N 3.32Å
171I52.8Low46.8Very low143 Ų143131.7 Ų131.773%0.73375%0.752SS**  trans-73.1109.5180-51.9176.5000108.9E169 I173E169-I171 WeakPolarHBondContact O-CG1 3.39Å; E169-I171 PolarHBondContact O-N 2.98Å; I171-I173 HydrophobicContact CG2-CG1 3.89Å; I171-I173 PolarHBondContact O-N 3.42Å
172V43.3Very low45.7Very low130 Ų130129 Ų12979%0.78874%0.737SS**  trans-82.1108.8162.7-175.80000106.7T170 D174T170-V172 PolarHBondContact O-N 3.32Å; V172-D174 PolarHBondContact O-N 3.18Å
173I47.4Very low44.4Very low125 Ų125134 Ų13464%0.64175%0.746SS**  trans-82.2106.8-178.5-58.6174000108.6I171 H175I171-I173 HydrophobicContact CG2-CG1 3.89Å; I171-I173 PolarHBondContact O-N 3.42Å; I173-H175 WeakPolarHBondContact CG2-CE1 3.39Å; I173-H175 VanDerWaalsContact CG2-ND1 3.27Å; I173-H175 WeakPolarHBondContact CG2-ND1 3.47Å
174D36Very low43.4Very low140 Ų140134.4 Ų134.475%0.74975%0.753SS**  trans-93.9126164.6-155.5-10.2000109V172V172-D174 PolarHBondContact O-N 3.18Å
175H52.5Low42.4Very low167 Ų167135.5 Ų135.577%0.77375%0.75SS**  trans-97.989.6-178.5-88.48.4000109.9I173I173-H175 WeakPolarHBondContact CG2-CE1 3.39Å; I173-H175 VanDerWaalsContact CG2-ND1 3.27Å; I173-H175 WeakPolarHBondContact CG2-ND1 3.47Å
176S38.5Very low41.3Very low88 Ų88135.8 Ų135.862%0.61575%0.752SS**  trans-153.889.2161.650.30000115.6
177I39.7Very low40.3Very low160 Ų160136 Ų13682%0.82175%0.754SS**  trans57.5159136.4-22.5-176000120.5
178P44.7Very low39.6Very low119 Ų119136.4 Ų136.477%0.77376%0.756SS**  -113.1163.9-76.934.8-19000114.6
179N32.9Very low38.5Very low167 Ų167135.2 Ų135.289%0.89375%0.753SS**  trans-80.3125179.2-166.418.6000113.1
180G33.3Very low37.4Very low66 Ų66134.1 Ų134.168%0.6876%0.757SS**  trans-112.7132.8168.500000110.7
181K35.2Very low36.4Very low189 Ų189136 Ų13682%0.82276%0.756SS**  trans-67.7146.4-177.8-65.9170.8169.4177.90113.2
182D31.6Very low35.6Very low125 Ų125137.7 Ų137.767%0.66876%0.76SS**  152.2132.7113.9-89.9-46000115.1
183Q31.3Very low35Very low162 Ų162138.9 Ų138.976%0.75776%0.761SS**  trans61.3151.1135.4-71.117056.100120.3
184L30.2Very low34.2Very low128 Ų128142.1 Ų142.167%0.6777%0.771SS**  cis178.1168.9-8.5-161.7141.9000105.2
185L31.1Very low33.9Very low147 Ų147144.4 Ų144.477%0.7778%0.777SS**  trans102.7108161.5-54.3164.4000115.8
186D28.3Very low32.9Very low153 Ų153144.4 Ų144.482%0.81878%0.783SS**  76.2119.370.2-96.7-23.5000115.3
187A30.6Very low32.5Very low96 Ų96143.6 Ų143.679%0.79379%0.789SS**  trans166.697.4133.600000113.1
188D27.8Very low32.1Very low140 Ų140139.8 Ų139.875%0.74979%0.789SS**  25.6137.2128.3-147.411.2000122.7
189S32.8Very low31.4Very low113 Ų113143.6 Ų143.679%0.7980%0.797SS**  trans175.192.9130.5-75.20000113.4
190T31.7Very low31.3Very low123 Ų123144.5 Ų144.576%0.75579%0.793SS**  30.3139.9129.4-6.10000124.4
191E33.6Very low31.1Very low175 Ų175148.2 Ų148.282%0.81880%0.803SS**  trans-77154.7-177.4-48.6178.4161.200115.8
192H34.3Very low31.7Very low178 Ų178144.2 Ų144.282%0.82480%0.796SS**  trans-154.4108.9153.4-85.3-71.9000108.7
193L31.9Very low31.8Very low155 Ų155147 Ų14781%0.81281%0.805SS**  92.2124.784.2-115.5117000114.6
194F30.5Very low32.2Very low194 Ų194146.8 Ų146.885%0.85181%0.808SS**  trans-54.2164.7177.4-63.8-103.3000113
195E29.9Very low32.6Very low187 Ų187148.7 Ų148.787%0.87481%0.814SS**  cis176.8143.644.7-157.9-178.5163.100107.4
196N30.8Very low32.9Very low167 Ų167148.3 Ų148.389%0.89381%0.813SS**  trans-166.6131.7141.9-151.210.6000111.6
197G29.7Very low33.1Very low72 Ų72144.5 Ų144.574%0.74281%0.81SS**  trans-95.1174.6-170.700000116.4
198G31.2Very low33.6Very low80 Ų80146.8 Ų146.883%0.82581%0.808SS**  trans174.28217200000114.3
199E30.8Very low34.2Very low199 Ų199146.9 Ų146.993%0.9381%0.809SS**  trans19.4144.2149.6-126.2163.1178.900124.6
200F31.3Very low35Very low186 Ų186146.5 Ų146.582%0.81680%0.803SS**  trans-80.3155.9-175.5-80.1-101.1000116.1
201T29.3Very low35.6Very low143 Ų143146.5 Ų146.588%0.87780%0.803SS**  -170.2131.2126.26.10000113.4
202P47.6Very low35.9Very low106 Ų106141.7 Ų141.769%0.68879%0.794SS**  trans-124132.4166.735.6-20.9000113.3
203E32.6Very low36.2Very low183 Ų183143.9 Ų143.986%0.85580%0.796SS**  trans-148.7119.3162.9-65.3-171.6154.500107.2
204L40.8Very low36.7Very low157 Ų157141.6 Ų141.682%0.82279%0.789SS**  54131.877.6-69.7175.6000111.6
205E38.7Very low37.2Very low168 Ų168138.6 Ų138.679%0.78579%0.787SS**  cis-170.8144.233.4-119.7175.1-176.800106.6
206D36.1Very low37.9Very low140 Ų140137 Ų13775%0.74978%0.784SS**  103.7141.897-16328.4000113.1
207G33.7Very low38.7Very low73 Ų73135 Ų13575%0.75377%0.773SS**  trans-177.368.8-171.600000112.2
208D40.2Very low39.4Very low144 Ų144136.5 Ų136.577%0.7777%0.771SS**  trans-44138164.6-103.5-25.7000113.8
209D41.5Very low40.2Very low141 Ų141141.8 Ų141.875%0.75477%0.768SS**  trans-136.5115.4152.4-166.613.1000110.6
210P49.1Very low40.9Very low105 Ų105142.5 Ų142.568%0.68276%0.764SS**  trans-102.6102.8-175.335.7-27.7000112.2
211T43.3Very low41.7Very low123 Ų123142.2 Ų142.276%0.75577%0.765SS**  trans-138.671.7164.148.70000113.3
212A41.7Very low42.7Very low74 Ų74143.3 Ų143.361%0.61276%0.764SS**  43.4103.3111.500000119.8
213Y40.4Very low42.8Very low224 Ų224143.9 Ų143.988%0.87877%0.765SS**  trans70.6143.9143.9-49.3-77.8000119.1
214V40.8Very low43.7Very low108 Ų108140.7 Ų140.766%0.65576%0.761SS**  cis-153.4122.725.4174.70000107.9N216V214-N216 HydrophobicContact CG1-CB 4.49Å; V214-N216 PolarHBondContact O-N 3.26Å
215T42.1Very low44.1Very low131 Ų131141.7 Ų141.780%0.80476%0.758SS**  trans-89.690.9165.332.80000109.8L217T215-L217 PolarHBondContact O-N 2.77Å
216N44.2Very low44.6Very low154 Ų154142.9 Ų142.982%0.82476%0.764SS**  trans-78.373165.6-96.3-21.2000109.5V214V214-N216 HydrophobicContact CG1-CB 4.49Å; V214-N216 PolarHBondContact O-N 3.26Å
217L48.4Very low45.4Very low124 Ų124141.5 Ų141.565%0.64976%0.761SS**  trans-85.9103.8163.8-117.480.7000108T215 Y219T215-L217 PolarHBondContact O-N 2.77Å; L217-Y219 HydrophobicContact CB-CD2 4.45Å; L217-Y219 HydrophobicContact CD2-CD2 4.31Å; L217-Y219 HydrophobicContact CD2-CE2 3.74Å; L217-Y219 PolarHBondContact O-N 3.01Å
218S43.4Very low46.2Very low103 Ų103145.2 Ų145.272%0.7276%0.764SS**  trans-76.698.9164.1370000108.2Y220S218-Y220 PolarHBondContact O-N 3.25Å
219Y47.4Very low47Very low192 Ų192145.7 Ų145.775%0.75376%0.764SS**  trans-68.3115.8166.5-92.6-94000108.5L217 H221L217-Y219 HydrophobicContact CB-CD2 4.45Å; L217-Y219 HydrophobicContact CD2-CD2 4.31Å; L217-Y219 HydrophobicContact CD2-CE2 3.74Å; L217-Y219 PolarHBondContact O-N 3.01Å; Y219-H221 PolarHBondContact O-N 3.17Å; Y219-H221 VanDerWaalsContact O-N 3.15Å
220Y46.5Very low47.4Very low213 Ų213146 Ų14684%0.83577%0.765SS**  trans-63.9113.2161.1-77.1-86.2000107.8S218 L222S218-Y220 PolarHBondContact O-N 3.25Å; Y220-L222 PolarHBondContact O-N 3.03Å; Y220-L222 VanDerWaalsContact O-N 3.15Å
221H47.5Very low47.2Very low181 Ų181151.9 Ų151.984%0.83879%0.791SS**  trans-62.7109.6168.3-96.3-98.4000108.6Y219 V223Y219-H221 PolarHBondContact O-N 3.17Å; Y219-H221 VanDerWaalsContact O-N 3.15Å; H221-V223 PolarHBondContact O-N 3.32Å
222L50.7Low47.4Very low166 Ų166153.3 Ų153.387%0.86979%0.793SS**  trans-70.7109.1167.8-70.2168.6000107.8Y220Y220-L222 PolarHBondContact O-N 3.03Å; Y220-L222 VanDerWaalsContact O-N 3.15Å
223V49Very low47.7Very low117 Ų117157.5 Ų157.571%0.70980%0.802SS**  trans-72.5128.7171.7-175.20000107.8H221 F225H221-V223 PolarHBondContact O-N 3.32Å; V223-F225 PolarHBondContact O-N 3.41Å
224P52.8Low48.1Very low117 Ų117153.8 Ų153.876%0.7680%0.798SS**  trans-63.5123.6173.9-14.627.6000109.4
225F47.7Very low48.5Very low177 Ų177156.5 Ų156.578%0.77681%0.807SS**  trans-83.8113.4162.736.3-89000107.5V223 T227V223-F225 PolarHBondContact O-N 3.41Å; F225-T227 HydrophobicContact CD2-CG2 4.46Å; F225-T227 PolarHBondContact O-N 3.49Å
226E50.8Low48.9Very low193 Ų193158.1 Ų158.190%0.90281%0.807SS**  trans-60.6115.6165-68.6-178.9156.600107.4
227T51.6Low49.2Very low111 Ų111158.3 Ų158.368%0.68181%0.806SS**  trans-95.4102.616628.90000106.3F225 I229F225-T227 HydrophobicContact CD2-CG2 4.46Å; F225-T227 PolarHBondContact O-N 3.49Å; T227-I229 PolarHBondContact O-N 2.8Å
228D51.3Low49.3Very low152 Ų152160.8 Ų160.881%0.81382%0.817SS**  trans-62.6113.2169.9-139.1-4.3000107.5
229I57.1Low49.8Very low153 Ų153165.2 Ų165.279%0.78582%0.824SS**  trans-101.795.1173.1-55.5176.3000107.5T227T227-I229 PolarHBondContact O-N 2.8Å
230L49.8Very low49.9Very low147 Ų147163 Ų16377%0.7783%0.83SS**  trans-149.5132.3157.9-69.1174.6000105.5
231D44.6Very low50.3Low229 Ų229158.5 Ų158.5100%1.22583%0.83SS**  cis-131.1019.7-85.4-41.1000111.9

Retrieved 231 of 231 residues in 37.1 ms (Link to these results)

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