A0A5K4F6V3_SCHMA Loading...

Transmembrane protein 45B

AlphaFold DB , UniProt , Accession A0A5K4F6V3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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
1M52.8Low49.2Very low238 Ų238176.6 Ų176.6100%1.17287%0.866SS**  067.80-62.1-176.1-177.400106.2
2E41Very low49.4Very low179 Ų179175.3 Ų175.384%0.83687%0.865SS**  45.897.871.4-99-175.1159.400112.8
3Y50.4Low49.7Very low229 Ų229172.3 Ų172.390%0.89886%0.862SS**  trans-155.7100.9134.2-109-79.1000108.9
4N45Very low49.8Very low143 Ų143168.1 Ų168.177%0.76584%0.844SS**  trans-78.1136.7166.2-91.6-29.4000109.2
5H57.6Low50Low186 Ų186164.7 Ų164.786%0.86184%0.835SS**  trans-126.191.8156.1-107.7-62.3000109
6H49.5Very low49.8Very low180 Ų180162.5 Ų162.583%0.83383%0.826SS**  trans-72126.8156.6-99.7-61000108.3
7G50.4Low49.7Very low68 Ų68155.3 Ų155.370%0.70179%0.794SS**  trans-137103.3173.400000110.1H9G7-H9 PolarHBondContact O-N 3.4Å
8N43.3Very low49.5Very low163 Ų163152.8 Ų152.887%0.87278%0.782SS**  trans-35.3117.6172.7-73.6-24000115.3
9H51.6Low49.1Very low194 Ų194149.5 Ų149.590%0.89877%0.769SS**  trans-137.675.8157.7-93.9-58.2000109.3G7G7-H9 PolarHBondContact O-N 3.4Å
10Q49.3Very low48.7Very low181 Ų181146.3 Ų146.385%0.84676%0.757SS**  trans-15674.8178.1-152.6155.7-0.300109.8
11H50.2Low48.4Very low182 Ų182145.5 Ų145.584%0.84375%0.753SS**SBendtrans-165.31.1157.3-118.3-61.4000120.1
12D51.2Low47.6Very low160 Ų160140.8 Ų140.886%0.85673%0.732SS**SBendtrans-108.620.3-172.3-69.9-33.6000116.6
13V54.5Low47.4Very low137 Ų137140 Ų14083%0.8373%0.728SS**SBendtrans-98.10.1-173.3-174.90000114.4
14N50.7Low46.9Very low114 Ų114135.1 Ų135.161%0.6172%0.716SS**SBendtrans-123.613.4-167.7-14411.2000117.8S17N14-S17 PolarHBondContact O-OG 3.46Å; N14-S17 PolarHBondContact OD1-OG 3.45Å
15V52.4Low46.7Very low116 Ų116131 Ų13170%0.70370%0.703SS**SBendtrans-105.5-25.4175.5-175.50000112.2T19V15-T19 PolarHBondContact O-OG1 3.42Å
16N47Very low46.4Very low130 Ų130125.7 Ų125.770%0.69568%0.68SS**Hα-helixtrans-82.3-17.5176-72-13.1000113.8T19 T20N16-T19 PolarHBondContact O-OG1 3.25Å; N16-T20 PolarHBondContact O-N 3.11Å; N16-T20 PolarHBondContact O-OG1 3.18Å
17S48.5Very low46.7Very low40 Ų40118.6 Ų118.628%0.2866%0.656SS.*Hα-helixtrans-77.3-30.6176.147.50000112.5N14 T20 I21N14-S17 PolarHBondContact O-OG 3.46Å; N14-S17 PolarHBondContact OD1-OG 3.45Å; S17-T20 WeakPolarHBondContact CA-OG1 3.38Å; S17-T20 PolarHBondContact O-OG1 3.24Å; S17-I21 VanDerWaalsContact O-CD1 3.26Å; S17-I21 WeakPolarHBondContact O-CD1 3.5Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.2Å
18I44.8Very low47.5Very low111 Ų111116.3 Ų116.357%0.56963%0.627SS**Hα-helixtrans-82.6-24.3-177-59.9176000111.3
19T43.4Very low48.8Very low89 Ų89113.2 Ų113.255%0.54661%0.608SS.*Hα-helixtrans-86.5-20.5172.143.30000113.9V15 N16V15-T19 PolarHBondContact O-OG1 3.42Å; N16-T19 PolarHBondContact O-OG1 3.25Å
20T40.9Very low50.1Low86 Ų86104.5 Ų104.553%0.52857%0.571SS.*Hα-helixtrans-79.7-24.9172.118.70000113.3N16 S17 N22 H23N16-T20 PolarHBondContact O-N 3.11Å; N16-T20 PolarHBondContact O-OG1 3.18Å; S17-T20 WeakPolarHBondContact CA-OG1 3.38Å; S17-T20 PolarHBondContact O-OG1 3.24Å; T20-N22 VanDerWaalsContact C-N 3.27Å; T20-N22 PolarHBondContact O-N 3.33Å; T20-H23 PolarHBondContact O-N 3.22Å
21I42Very low51.8Low129 Ų12996.4 Ų96.466%0.66253%0.533SS*.THydrogen-bonded Turntrans-71.8-21.9178.9-69.1165.1000112.3S17S17-I21 VanDerWaalsContact O-CD1 3.26Å; S17-I21 WeakPolarHBondContact O-CD1 3.5Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.2Å
22N35.6Very low53.6Low139 Ų13990.1 Ų90.174%0.74350%0.503SS*.THydrogen-bonded Turntrans-951.7174.4-75.4-17.7000114.2T20T20-N22 VanDerWaalsContact C-N 3.27Å; T20-N22 PolarHBondContact O-N 3.33Å
23H36.4Very low55.4Low163 Ų16386.1 Ų86.176%0.75548%0.482SS*.SBendtrans-1082.2-177.7-118.8-68.9000114.4T20 A25T20-H23 PolarHBondContact O-N 3.22Å; H23-A25 PolarHBondContact O-N 3.31Å
24I40.1Very low57.2Low126 Ų12679.7 Ų79.765%0.64644%0.443SS*.  trans-9251.6163.6-47.9178.6000108.1N26I24-N26 WeakPolarHBondContact CG2-OD1 3.4Å; I24-N26 PolarHBondContact O-N 3.32Å
25A41.8Very low59.2Low58 Ų5875 Ų7548%0.47942%0.418SS..  trans-7278.5151.100000105.1H23 G27H23-A25 PolarHBondContact O-N 3.31Å; A25-G27 PolarHBondContact O-N 2.94Å; A25-G27 VanDerWaalsContact O-N 3.16Å
26N51.7Low61.1Low74 Ų7470.2 Ų70.240%0.39639%0.39SS..  trans-44.6127.8166.5-78.7-7.1000105.5I24 N28 E260I24-N26 WeakPolarHBondContact CG2-OD1 3.4Å; I24-N26 PolarHBondContact O-N 3.32Å; N26-N28 PolarHBondContact O-N 3.13Å; N26-E260 PolarHBondContact ND2-OE1 3.09Å; N26-E260 VanDerWaalsContact ND2-OE1 3.17Å
27G55.4Low63.4Low31 Ų3166.1 Ų66.132%0.3237%0.365SS..THydrogen-bonded Turntrans-58.526.6-175.800000116.3A25 E29A25-G27 PolarHBondContact O-N 2.94Å; A25-G27 VanDerWaalsContact O-N 3.16Å; G27-E29 VanDerWaalsContact C-N 3.33Å
28N66.5Low65.6Low19 Ų1964.4 Ų64.410%0.10235%0.353CS..THydrogen-bonded Turntrans-81.8-3.8170.3-62.6-16.6000112.5N26 G30 L31 N251 E260N26-N28 PolarHBondContact O-N 3.13Å; N28-G30 PolarHBondContact O-N 3.29Å; N28-L31 HydrophobicContact CB-CB 4.41Å; N28-L31 HydrophobicContact CB-CD2 4.28Å; N28-L31 WeakPolarHBondContact O-CB 3.26Å; N28-L31 PolarHBondContact O-N 3.21Å; N28-N251 PolarHBondContact O-ND2 3.33Å; N28-E260 PolarHBondContact ND2-OE1 3.32Å
29E71.5Confident68.1Low99 Ų9959.1 Ų59.146%0.46333%0.326SS..THydrogen-bonded Turntrans-58.7126.3171.3-67.1-163.5-172.300110G27 L31 L122G27-E29 VanDerWaalsContact C-N 3.33Å; E29-L31 VanDerWaalsContact C-N 3.25Å; E29-L31 PolarHBondContact O-N 2.95Å; E29-L122 WeakPolarHBondContact CB-O 3.5Å
30G79.1Confident70.6Confident11 Ų1159.3 Ų59.311%0.11332%0.323CS..THydrogen-bonded Turntrans78.4-8.2-173.400000116N28 F32 L33 S34 T119N28-G30 PolarHBondContact O-N 3.29Å; G30-F32 VanDerWaalsContact C-N 3.25Å; G30-F32 PolarHBondContact O-N 3.1Å; G30-L33 WeakPolarHBondContact O-CB 3.17Å; G30-L33 PolarHBondContact O-N 3.1Å; G30-S34 PolarHBondContact O-N 3.07Å; G30-T119 WeakPolarHBondContact O-CG2 3.41Å
31L85.1Confident73.1Confident10 Ų1056.6 Ų56.65%0.05231%0.307CS..Hα-helixtrans-58.2-39177.9-176.267000112.2N28 E29 L33 S35 L250N28-L31 HydrophobicContact CB-CB 4.41Å; N28-L31 HydrophobicContact CB-CD2 4.28Å; N28-L31 WeakPolarHBondContact O-CB 3.26Å; N28-L31 PolarHBondContact O-N 3.21Å; E29-L31 VanDerWaalsContact C-N 3.25Å; E29-L31 PolarHBondContact O-N 2.95Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 2.97Å; L31-S35 WeakPolarHBondContact O-CB 3.43Å; L31-S35 PolarHBondContact O-N 3.44Å; L31-S35 PolarHBondContact O-OG 3.16Å; L31-L250 HydrophobicContact CD2-CB 3.8Å; L31-L250 HydrophobicContact CD2-CD1 3.75Å; L31-L250 HydrophobicContact CD2-CG 4.44Å
32F87.3Confident75.7Confident50 Ų5050.6 Ų50.622%0.21928%0.277CS..Hα-helixtrans-58.8-45.3174.9176.9-107.2000111.7G30 S36 F248 N251 P253G30-F32 VanDerWaalsContact C-N 3.25Å; G30-F32 PolarHBondContact O-N 3.1Å; F32-S36 VanDerWaalsContact CE2-OG 3.23Å; F32-S36 WeakPolarHBondContact CE2-OG 3.29Å; F32-S36 WeakPolarHBondContact CZ-OG 3.36Å; F32-S36 WeakPolarHBondContact O-CB 3.35Å; F32-S36 PolarHBondContact O-N 3.38Å; F32-S36 PolarHBondContact O-OG 2.98Å; F32-F248 HydrophobicContact CD2-CD1 4.25Å; F32-F248 HydrophobicContact CD2-CE1 4.46Å; F32-F248 HydrophobicContact CD2-CG 4.46Å; F32-F248 AromaticContact CE2-CD1 3.37Å; F32-F248 HydrophobicContact CE2-CD1 3.37Å; F32-F248 AromaticContact CE2-CD2 3.97Å; F32-F248 HydrophobicContact CE2-CD2 3.97Å; F32-F248 AromaticContact CE2-CE1 3.26Å; F32-F248 HydrophobicContact CE2-CE1 3.26Å; F32-F248 AromaticContact CE2-CE2 3.86Å; F32-F248 HydrophobicContact CE2-CE2 3.86Å; F32-F248 AromaticContact CE2-CG 3.72Å; F32-F248 HydrophobicContact CE2-CG 3.72Å; F32-F248 AromaticContact CE2-CZ 3.51Å; F32-F248 HydrophobicContact CE2-CZ 3.51Å; F32-F248 HydrophobicContact CZ-CD1 4.01Å; F32-F248 AromaticContact CZ-CE1 3.42Å; F32-F248 HydrophobicContact CZ-CE1 3.42Å; F32-F248 VanDerWaalsContact CZ-CE1 3.42Å; F32-F248 HydrophobicContact CZ-CE2 4.28Å; F32-F248 AromaticContact CZ-CZ 3.57Å; F32-F248 HydrophobicContact CZ-CZ 3.57Å; F32-N251 HydrophobicContact CB-CB 4.19Å; F32-N251 WeakPolarHBondContact CB-O 3.36Å; F32-P253 HydrophobicContact CE1-CG 4.31Å; F32-P253 HydrophobicContact CZ-CG 4.38Å
33L89.4Confident78.6Confident77 Ų7746.5 Ų46.540%0.40325%0.254SS..Hα-helixtrans-66.3-49.2-177.6-17472.3000111.3G30 L31 Y37 V115 I118 T119G30-L33 WeakPolarHBondContact O-CB 3.17Å; G30-L33 PolarHBondContact O-N 3.1Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L33 PolarHBondContact O-N 2.97Å; L33-Y37 WeakPolarHBondContact O-CB 3.49Å; L33-Y37 PolarHBondContact O-N 3.14Å; L33-V115 HydrophobicContact CD2-CG1 4.1Å; L33-V115 HydrophobicContact CG-CG1 3.91Å; L33-I118 HydrophobicContact CD2-CG2 4.42Å; L33-T119 HydrophobicContact CB-CG2 4.21Å; L33-T119 HydrophobicContact CD2-CG2 4.14Å
34S91.8Very high81.4Confident2 Ų242.1 Ų42.11%0.01424%0.241CC..Hα-helixtrans-60.8-49.9177.2159.80000111.4G30 Y37 L38 E116 R124G30-S34 PolarHBondContact O-N 3.07Å; S34-Y37 PolarHBondContact O-N 3.4Å; S34-L38 WeakPolarHBondContact O-CB 3.34Å; S34-L38 PolarHBondContact O-N 2.9Å; S34-E116 WeakPolarHBondContact CB-OE1 3.42Å; S34-E116 PolarHBondContact OG-OE1 2.89Å; S34-R124 PolarHBondContact OG-NH2 3.38Å
35S92.4Very high84Confident14 Ų1437.1 Ų37.110%0.09822%0.216CC..Hα-helixtrans-66.1-43.5-178.6-540000111.6L31 Y37 L38 G39 I243L31-S35 WeakPolarHBondContact O-CB 3.43Å; L31-S35 PolarHBondContact O-N 3.44Å; L31-S35 PolarHBondContact O-OG 3.16Å; S35-Y37 PolarHBondContact O-N 3.25Å; S35-L38 PolarHBondContact O-N 3.12Å; S35-G39 PolarHBondContact O-N 3.1Å; S35-I243 VanDerWaalsContact O-CG2 3.29Å; S35-I243 WeakPolarHBondContact O-CG2 3.38Å
36S92.9Very high86.4Confident16 Ų1634.3 Ų34.311%0.11219%0.193CC..Hα-helixtrans-62.4-44.1177.7-62.80000111.5F32 I40F32-S36 VanDerWaalsContact CE2-OG 3.23Å; F32-S36 WeakPolarHBondContact CE2-OG 3.29Å; F32-S36 WeakPolarHBondContact CZ-OG 3.36Å; F32-S36 WeakPolarHBondContact O-CB 3.35Å; F32-S36 PolarHBondContact O-N 3.38Å; F32-S36 PolarHBondContact O-OG 2.98Å; S36-I40 WeakPolarHBondContact O-CB 3.5Å; S36-I40 WeakPolarHBondContact O-CD1 3.49Å; S36-I40 WeakPolarHBondContact O-CG1 3.44Å; S36-I40 PolarHBondContact O-N 3.21Å
37Y94.9Very high88.4Confident44 Ų4433.8 Ų33.817%0.17319%0.19CC..Hα-helixtrans-63.2-49.4178.9-179.6-93.9000112.1L33 S34 S35 S41 C108 I111 G112 V115 Y134L33-Y37 WeakPolarHBondContact O-CB 3.49Å; L33-Y37 PolarHBondContact O-N 3.14Å; S34-Y37 PolarHBondContact O-N 3.4Å; S35-Y37 PolarHBondContact O-N 3.25Å; Y37-S41 WeakPolarHBondContact CE1-OG 3.27Å; Y37-S41 WeakPolarHBondContact O-CB 3.32Å; Y37-S41 PolarHBondContact O-N 3.33Å; Y37-S41 PolarHBondContact O-OG 3.03Å; Y37-C108 WeakPolarHBondContact OH-CA 3.45Å; Y37-C108 PolarHBondContact OH-O 3.17Å; Y37-I111 HydrophobicContact CD2-CG2 4.32Å; Y37-I111 HydrophobicContact CE1-CG2 4.45Å; Y37-I111 HydrophobicContact CE2-CB 4.26Å; Y37-I111 HydrophobicContact CE2-CG2 3.43Å; Y37-I111 VanDerWaalsContact CE2-CG2 3.43Å; Y37-I111 VanDerWaalsContact OH-CB 3.31Å; Y37-I111 WeakPolarHBondContact OH-CB 3.33Å; Y37-I111 WeakPolarHBondContact OH-CG2 3.26Å; Y37-G112 VanDerWaalsContact CE1-N 3.35Å; Y37-V115 HydrophobicContact CD1-CG2 4.5Å; Y37-V115 HydrophobicContact CD2-CG2 4.2Å; Y37-V115 HydrophobicContact CG-CB 4.48Å; Y37-V115 HydrophobicContact CG-CG1 4.47Å; Y37-V115 HydrophobicContact CG-CG2 4.1Å; Y37-Y134 HydrophobicContact CE1-CE1 4.42Å
38L95.4Very high90.2Very high5 Ų537.1 Ų37.13%0.02619%0.192CC..Hα-helixtrans-60.3-47178.3177.760.1000111.3S34 S35 S41 L42 Q130 F133 Y134 I243S34-L38 WeakPolarHBondContact O-CB 3.34Å; S34-L38 PolarHBondContact O-N 2.9Å; S35-L38 PolarHBondContact O-N 3.12Å; L38-S41 PolarHBondContact O-N 3.49Å; L38-L42 HydrophobicContact CD1-CD1 4.07Å; L38-L42 HydrophobicContact CD1-CG 4.41Å; L38-L42 HydrophobicContact CG-CD1 4.19Å; L38-L42 WeakPolarHBondContact O-CG 3.19Å; L38-L42 PolarHBondContact O-N 3.05Å; L38-Q130 HydrophobicContact CD2-CG 4.16Å; L38-F133 HydrophobicContact CD1-CD1 3.59Å; L38-F133 HydrophobicContact CD1-CE1 3.27Å; L38-F133 HydrophobicContact CD1-CG 4.46Å; L38-F133 HydrophobicContact CD1-CZ 3.9Å; L38-Y134 HydrophobicContact CD1-CE1 4.26Å; L38-I243 HydrophobicContact CB-CG2 4.4Å; L38-I243 HydrophobicContact CD2-CD1 4.27Å; L38-I243 HydrophobicContact CD2-CG2 4.33Å; L38-I243 HydrophobicContact CG-CD1 4.35Å; L38-I243 HydrophobicContact CG-CG2 4.38Å
39G95.7Very high91.3Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-64.2-43.7-179.300000113S35 S41 L42 L43 G240 C244S35-G39 PolarHBondContact O-N 3.1Å; G39-S41 PolarHBondContact O-N 3.44Å; G39-L42 PolarHBondContact O-N 3.19Å; G39-L43 VanDerWaalsContact O-CB 3.3Å; G39-L43 WeakPolarHBondContact O-CB 3.48Å; G39-L43 PolarHBondContact O-N 3.21Å; G39-G240 CarbonylContact C-O 3.59Å; G39-G240 WeakPolarHBondContact CA-O 3.39Å; G39-G240 CarbonylContact O-C 3.47Å; G39-G240 WeakPolarHBondContact O-CA 3.46Å; G39-C244 WeakPolarHBondContact CA-SG 3.34Å
40I95.9Very high92.3Very high92 Ų9232.8 Ų32.847%0.47217%0.171SC..Hα-helixtrans-62.7-43.2175.1-69.2165.7000110.6S36 L42 L43 C44 C244S36-I40 WeakPolarHBondContact O-CB 3.5Å; S36-I40 WeakPolarHBondContact O-CD1 3.49Å; S36-I40 WeakPolarHBondContact O-CG1 3.44Å; S36-I40 PolarHBondContact O-N 3.21Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 3.45Å; I40-L43 WeakPolarHBondContact O-CB 3.38Å; I40-L43 PolarHBondContact O-N 2.9Å; I40-C44 WeakPolarHBondContact O-CB 3.21Å; I40-C44 PolarHBondContact O-N 2.79Å; I40-C44 PolarHBondContact O-SG 3.16Å; I40-C44 VanDerWaalsContact O-SG 3.35Å; I40-C244 PolarHBondContact N-SG 3.4Å; I40-C244 VanDerWaalsContact N-SG 3.39Å
41S95.3Very high92.7Very high29 Ų2935.6 Ų35.620%0.20318%0.182CC..Hα-helixtrans-60.3-44.4179.2-60.30000111.7Y37 L38 G39 L45Y37-S41 WeakPolarHBondContact CE1-OG 3.27Å; Y37-S41 WeakPolarHBondContact O-CB 3.32Å; Y37-S41 PolarHBondContact O-N 3.33Å; Y37-S41 PolarHBondContact O-OG 3.03Å; L38-S41 PolarHBondContact O-N 3.49Å; G39-S41 PolarHBondContact O-N 3.44Å; S41-L45 WeakPolarHBondContact O-CB 3.49Å; S41-L45 PolarHBondContact O-N 3.49Å
42L96Very high92.8Very high4 Ų437 Ų372%0.02119%0.189CC..Hα-helixtrans-69.4-38176.4-75.7172.5000113L38 G39 I40 L45 G46 F133 F166 I243L38-L42 HydrophobicContact CD1-CD1 4.07Å; L38-L42 HydrophobicContact CD1-CG 4.41Å; L38-L42 HydrophobicContact CG-CD1 4.19Å; L38-L42 WeakPolarHBondContact O-CG 3.19Å; L38-L42 PolarHBondContact O-N 3.05Å; G39-L42 PolarHBondContact O-N 3.19Å; I40-L42 VanDerWaalsContact C-N 3.34Å; I40-L42 PolarHBondContact O-N 3.45Å; L42-L45 HydrophobicContact CD2-CD2 4.48Å; L42-L45 PolarHBondContact O-N 3.48Å; L42-G46 PolarHBondContact O-N 3.47Å; L42-F133 HydrophobicContact CD1-CZ 4.31Å; L42-F133 HydrophobicContact CD2-CZ 3.89Å; L42-F133 HydrophobicContact CG-CZ 4.32Å; L42-F166 HydrophobicContact CD2-CE1 3.79Å; L42-F166 HydrophobicContact CD2-CZ 3.94Å; L42-I243 HydrophobicContact CD1-CD1 3.7Å
43L95.9Very high92.7Very high53 Ų5335.4 Ų35.428%0.27718%0.184SC..Hα-helixtrans-60.3-48.7174.2-173.7101.9000110.6G39 I40 L45 G46 L47 I237G39-L43 VanDerWaalsContact O-CB 3.3Å; G39-L43 WeakPolarHBondContact O-CB 3.48Å; G39-L43 PolarHBondContact O-N 3.21Å; I40-L43 WeakPolarHBondContact O-CB 3.38Å; I40-L43 PolarHBondContact O-N 2.9Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.25Å; L43-G46 PolarHBondContact O-N 2.79Å; L43-L47 HydrophobicContact CD2-CD1 4.05Å; L43-L47 HydrophobicContact CG-CD1 4.12Å; L43-L47 WeakPolarHBondContact O-CB 3.33Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.29Å; L43-L47 PolarHBondContact O-N 3.44Å; L43-I237 HydrophobicContact CD1-CG2 4.13Å
44C95.4Very high92.5Very high71 Ų7131.9 Ų31.948%0.4817%0.166SC..Hα-helixtrans-60.9-41.9176.9-72.80000111.7I40 L47 W48I40-C44 WeakPolarHBondContact O-CB 3.21Å; I40-C44 PolarHBondContact O-N 2.79Å; I40-C44 PolarHBondContact O-SG 3.16Å; I40-C44 VanDerWaalsContact O-SG 3.35Å; C44-L47 PolarHBondContact O-N 3.46Å; C44-W48 WeakPolarHBondContact O-CB 3.19Å; C44-W48 PolarHBondContact O-N 2.99Å
45L94.1Very high92.1Very high20 Ų2039 Ų3911%0.10519%0.192CC..Hα-helixtrans-62.7-47176-178.368000112S41 L42 L43 W48 W49 M137S41-L45 WeakPolarHBondContact O-CB 3.49Å; S41-L45 PolarHBondContact O-N 3.49Å; L42-L45 HydrophobicContact CD2-CD2 4.48Å; L42-L45 PolarHBondContact O-N 3.48Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.25Å; L45-W48 WeakPolarHBondContact O-CB 3.49Å; L45-W48 PolarHBondContact O-N 3.27Å; L45-W49 HydrophobicContact CD1-CD2 4.47Å; L45-W49 HydrophobicContact CD1-CZ2 3.91Å; L45-W49 HydrophobicContact CD2-CH2 4.01Å; L45-W49 HydrophobicContact CD2-CZ2 3.94Å; L45-W49 HydrophobicContact CG-CD2 4.28Å; L45-W49 HydrophobicContact CG-CH2 4.33Å; L45-W49 HydrophobicContact CG-CZ2 3.96Å; L45-W49 PolarHBondContact O-N 3.01Å; L45-M137 HydrophobicContact CD2-CE 3.64Å
46G93.6Very high91.5Very high0 Ų043.9 Ų43.90%021%0.214CC..Hα-helixtrans-64.2-40.8178.100000112.6L42 L43 W49 W50 I237L42-G46 PolarHBondContact O-N 3.47Å; L43-G46 PolarHBondContact O-N 2.79Å; G46-W49 PolarHBondContact O-N 3.13Å; G46-W50 VanDerWaalsContact O-CB 3.31Å; G46-W50 WeakPolarHBondContact O-CB 3.46Å; G46-W50 PolarHBondContact O-N 2.96Å; G46-I237 VanDerWaalsContact C-CG1 3.49Å
47L92.9Very high90.7Very high63 Ų6345.7 Ų45.733%0.3322%0.218SC..Hα-helixtrans-64-40.8173.3-74.4171.9000111.9L43 C44 W50 I51 I237L43-L47 HydrophobicContact CD2-CD1 4.05Å; L43-L47 HydrophobicContact CG-CD1 4.12Å; L43-L47 WeakPolarHBondContact O-CB 3.33Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.29Å; L43-L47 PolarHBondContact O-N 3.44Å; C44-L47 PolarHBondContact O-N 3.46Å; L47-W50 PolarHBondContact O-N 3.45Å; L47-I51 WeakPolarHBondContact O-CB 3.01Å; L47-I51 VanDerWaalsContact O-CG1 3.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.46Å; L47-I51 PolarHBondContact O-N 3.36Å; L47-I237 HydrophobicContact CD2-CD1 3.98Å; L47-I237 HydrophobicContact CG-CD1 4.28Å; L47-I237 HydrophobicContact CG-CG1 4.5Å
48W92.2Very high89.8Confident100 Ų10043.8 Ų43.838%0.37921%0.211SC..Hα-helixtrans-60-50.5175.9172.9-102.6000111.6C44 L45 W50 I51 Q52 E101C44-W48 WeakPolarHBondContact O-CB 3.19Å; C44-W48 PolarHBondContact O-N 2.99Å; L45-W48 WeakPolarHBondContact O-CB 3.49Å; L45-W48 PolarHBondContact O-N 3.27Å; W48-W50 VanDerWaalsContact C-N 3.29Å; W48-W50 PolarHBondContact O-N 2.9Å; W48-I51 PolarHBondContact O-N 2.71Å; W48-Q52 WeakPolarHBondContact O-CG 3.37Å; W48-Q52 PolarHBondContact O-N 2.99Å; W48-E101 PolarHBondContact NE1-OE2 3.33Å; W48-E101 VanDerWaalsContact NE1-OE2 3.1Å
49W91.3Very high88.8Confident27 Ų2746.6 Ų46.610%0.10223%0.231CC..Hα-helixtrans-60.1-39.9175.3-70.2-14.3000112.4L45 G46 Q52 A53 E101 K232 V236L45-W49 HydrophobicContact CD1-CD2 4.47Å; L45-W49 HydrophobicContact CD1-CZ2 3.91Å; L45-W49 HydrophobicContact CD2-CH2 4.01Å; L45-W49 HydrophobicContact CD2-CZ2 3.94Å; L45-W49 HydrophobicContact CG-CD2 4.28Å; L45-W49 HydrophobicContact CG-CH2 4.33Å; L45-W49 HydrophobicContact CG-CZ2 3.96Å; L45-W49 PolarHBondContact O-N 3.01Å; G46-W49 PolarHBondContact O-N 3.13Å; W49-Q52 PolarHBondContact O-N 3.23Å; W49-A53 WeakPolarHBondContact O-CB 3.45Å; W49-A53 PolarHBondContact O-N 3.48Å; W49-E101 PolarHBondContact NE1-OE1 2.95Å; W49-K232 HydrophobicContact CE3-CD 4.38Å; W49-K232 HydrophobicContact CZ3-CD 4.43Å; W49-V236 HydrophobicContact CE3-CG2 4.15Å; W49-V236 HydrophobicContact CZ3-CG1 4.41Å; W49-V236 HydrophobicContact CZ3-CG2 3.77Å
50W91.3Very high87.4Confident1 Ų150.3 Ų50.30%0.00426%0.257CS..Hα-helixtrans-65-46.1177.8-174.6-123.9000112.6G46 L47 W48 Q52 A53 L54 W230 C233 I237 L288G46-W50 VanDerWaalsContact O-CB 3.31Å; G46-W50 WeakPolarHBondContact O-CB 3.46Å; G46-W50 PolarHBondContact O-N 2.96Å; L47-W50 PolarHBondContact O-N 3.45Å; W48-W50 VanDerWaalsContact C-N 3.29Å; W48-W50 PolarHBondContact O-N 2.9Å; W50-Q52 VanDerWaalsContact C-N 3.34Å; W50-Q52 PolarHBondContact O-N 3.42Å; W50-A53 PolarHBondContact O-N 3.37Å; W50-L54 HydrophobicContact CD2-CD1 4.36Å; W50-L54 HydrophobicContact CD2-CG 4.36Å; W50-L54 HydrophobicContact CH2-CD2 4Å; W50-L54 HydrophobicContact CH2-CG 4.48Å; W50-L54 HydrophobicContact CZ2-CD1 4.08Å; W50-L54 HydrophobicContact CZ2-CD2 3.86Å; W50-L54 HydrophobicContact CZ2-CG 4.15Å; W50-L54 WeakPolarHBondContact O-CG 3.26Å; W50-L54 PolarHBondContact O-N 3.35Å; W50-W230 HydrophobicContact CH2-CB 4.22Å; W50-W230 AromaticContact CH2-CD1 3.35Å; W50-W230 HydrophobicContact CH2-CG 4.17Å; W50-W230 AromaticContact CZ2-CD1 3.93Å; W50-W230 HydrophobicContact CZ3-CB 3.99Å; W50-W230 AromaticContact CZ3-CD1 3.72Å; W50-W230 HydrophobicContact CZ3-CG 4.29Å; W50-C233 HydrophobicContact CB-CB 4.03Å; W50-C233 HydrophobicContact CD2-CB 4.22Å; W50-C233 HydrophobicContact CE3-CB 3.67Å; W50-C233 HydrophobicContact CG-CB 4.4Å; W50-I237 HydrophobicContact CB-CD1 4.26Å; W50-L288 HydrophobicContact CH2-CD1 3.98Å; W50-L288 HydrophobicContact CZ2-CB 4.12Å; W50-L288 HydrophobicContact CZ2-CD1 4.1Å
51I88.1Confident85.8Confident69 Ų6948.5 Ų48.535%0.35425%0.252SS..Hα-helixtrans-62.8-42.7176.9-68.7164.4000110.5L47 W48 L54 R55L47-I51 WeakPolarHBondContact O-CB 3.01Å; L47-I51 VanDerWaalsContact O-CG1 3.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.46Å; L47-I51 PolarHBondContact O-N 3.36Å; W48-I51 PolarHBondContact O-N 2.71Å; I51-L54 PolarHBondContact O-N 2.72Å; I51-R55 HydrophobicContact CG2-CG 4.42Å; I51-R55 WeakPolarHBondContact O-CB 3.41Å; I51-R55 WeakPolarHBondContact O-CG 3.49Å; I51-R55 PolarHBondContact O-N 3.44Å
52Q87.4Confident84.2Confident41 Ų4151.1 Ų51.119%0.19227%0.27CS..Hα-helixtrans-61.2-45.9175.8-75.8-162.21600112W48 W49 W50 L54 R55 Q56W48-Q52 WeakPolarHBondContact O-CG 3.37Å; W48-Q52 PolarHBondContact O-N 2.99Å; W49-Q52 PolarHBondContact O-N 3.23Å; W50-Q52 VanDerWaalsContact C-N 3.34Å; W50-Q52 PolarHBondContact O-N 3.42Å; Q52-L54 VanDerWaalsContact C-N 3.33Å; Q52-L54 PolarHBondContact O-N 3.23Å; Q52-R55 PolarHBondContact O-N 3.44Å; Q52-Q56 WeakPolarHBondContact O-CG 3.34Å; Q52-Q56 PolarHBondContact O-N 3.46Å
53A85.4Confident82.4Confident15 Ų1555.5 Ų55.512%0.12430%0.297CS..Hα-helixtrans-58.4-44.617800000112.2W49 W50 R57 I229W49-A53 WeakPolarHBondContact O-CB 3.45Å; W49-A53 PolarHBondContact O-N 3.48Å; W50-A53 PolarHBondContact O-N 3.37Å; A53-R57 PolarHBondContact O-N 2.99Å; A53-I229 HydrophobicContact CB-CG2 3.37Å
54L84.9Confident80.4Confident4 Ų456.5 Ų56.52%0.02131%0.309CS..Hα-helixtrans-64.9-44.7176.6-67.4177.3000111.4W50 I51 Q52 Q56 R57 Y58 L288 V291W50-L54 HydrophobicContact CD2-CD1 4.36Å; W50-L54 HydrophobicContact CD2-CG 4.36Å; W50-L54 HydrophobicContact CH2-CD2 4Å; W50-L54 HydrophobicContact CH2-CG 4.48Å; W50-L54 HydrophobicContact CZ2-CD1 4.08Å; W50-L54 HydrophobicContact CZ2-CD2 3.86Å; W50-L54 HydrophobicContact CZ2-CG 4.15Å; W50-L54 WeakPolarHBondContact O-CG 3.26Å; W50-L54 PolarHBondContact O-N 3.35Å; I51-L54 PolarHBondContact O-N 2.72Å; Q52-L54 VanDerWaalsContact C-N 3.33Å; Q52-L54 PolarHBondContact O-N 3.23Å; L54-Q56 PolarHBondContact O-N 3.35Å; L54-R57 PolarHBondContact O-N 3.1Å; L54-Y58 HydrophobicContact CB-CD2 4.49Å; L54-Y58 HydrophobicContact CB-CE2 4.47Å; L54-Y58 HydrophobicContact CD2-CE2 4.2Å; L54-Y58 WeakPolarHBondContact O-CD2 3.26Å; L54-Y58 PolarHBondContact O-N 3Å; L54-L288 HydrophobicContact CD2-CD1 4.49Å; L54-L288 HydrophobicContact CD2-CG 4.4Å; L54-V291 HydrophobicContact CB-CG1 4.22Å; L54-V291 HydrophobicContact CD1-CB 4.17Å; L54-V291 HydrophobicContact CD1-CG1 4.38Å; L54-V291 HydrophobicContact CD1-CG2 3.9Å
55R82.7Confident78.4Confident150 Ų15057.5 Ų57.557%0.56632%0.317SS*.Hα-helixtrans-59.1-46.5177.9-77178.7-178.7-172.32.1112.2I51 Q52 R57 Y58 S59I51-R55 HydrophobicContact CG2-CG 4.42Å; I51-R55 WeakPolarHBondContact O-CB 3.41Å; I51-R55 WeakPolarHBondContact O-CG 3.49Å; I51-R55 PolarHBondContact O-N 3.44Å; Q52-R55 PolarHBondContact O-N 3.44Å; R55-R57 VanDerWaalsContact C-N 3.28Å; R55-R57 PolarHBondContact O-N 3.1Å; R55-Y58 PolarHBondContact O-N 3.42Å; R55-S59 VanDerWaalsContact O-CB 3.31Å; R55-S59 WeakPolarHBondContact O-CB 3.32Å; R55-S59 PolarHBondContact O-N 3.11Å; R55-S59 PolarHBondContact O-OG 2.98Å
56Q79.5Confident76.4Confident118 Ų11861 Ų6155%0.55134%0.343SS*.Hα-helixtrans-60.5-38.2178.9-73.3176.9-300112.1Q52 L54 S59 S60Q52-Q56 WeakPolarHBondContact O-CG 3.34Å; Q52-Q56 PolarHBondContact O-N 3.46Å; L54-Q56 PolarHBondContact O-N 3.35Å; Q56-S59 PolarHBondContact O-OG 3Å; Q56-S60 PolarHBondContact O-N 3.47Å; Q56-S60 PolarHBondContact O-OG 3.5Å
57R77.2Confident74.6Confident54 Ų5466.2 Ų66.220%0.20437%0.374CS..Hα-helixtrans-68-49.2178.4-170173.5-166-155.77.7112.1A53 L54 R55 S61 W301A53-R57 PolarHBondContact O-N 2.99Å; L54-R57 PolarHBondContact O-N 3.1Å; R55-R57 VanDerWaalsContact C-N 3.28Å; R55-R57 PolarHBondContact O-N 3.1Å; R57-S61 PolarHBondContact O-N 3.34Å; R57-W301 VanDerWaalsContact NH2-CZ3 3.31Å
58Y75.8Confident72.6Confident3 Ų370.3 Ų70.31%0.01239%0.39CS..Hα-helixtrans-80-26.2-174.8-66.8-66000113.7L54 R55 S60 S61 S62 V291 A292 Y295 V297 W301L54-Y58 HydrophobicContact CB-CD2 4.49Å; L54-Y58 HydrophobicContact CB-CE2 4.47Å; L54-Y58 HydrophobicContact CD2-CE2 4.2Å; L54-Y58 WeakPolarHBondContact O-CD2 3.26Å; L54-Y58 PolarHBondContact O-N 3Å; R55-Y58 PolarHBondContact O-N 3.42Å; Y58-S60 VanDerWaalsContact C-N 3.31Å; Y58-S61 WeakPolarHBondContact CA-OG 3.39Å; Y58-S61 PolarHBondContact O-N 3.33Å; Y58-S61 PolarHBondContact O-OG 3.03Å; Y58-S62 PolarHBondContact O-N 2.86Å; Y58-V291 HydrophobicContact CD2-CG1 3.59Å; Y58-V291 HydrophobicContact CE2-CB 4.26Å; Y58-V291 HydrophobicContact CE2-CG1 3.49Å; Y58-V291 VanDerWaalsContact CE2-CG1 3.49Å; Y58-A292 HydrophobicContact CE1-CB 4.48Å; Y58-A292 WeakPolarHBondContact OH-CA 3.34Å; Y58-A292 VanDerWaalsContact OH-CB 3.24Å; Y58-A292 WeakPolarHBondContact OH-CB 3.33Å; Y58-Y295 HydrophobicContact CD1-CD2 4.41Å; Y58-Y295 HydrophobicContact CD1-CG 4.24Å; Y58-Y295 AromaticContact CD2-CD2 3.75Å; Y58-Y295 HydrophobicContact CD2-CD2 3.75Å; Y58-Y295 HydrophobicContact CD2-CE2 4.11Å; Y58-Y295 HydrophobicContact CD2-CG 4.34Å; Y58-Y295 HydrophobicContact CG-CD1 4.44Å; Y58-Y295 AromaticContact CG-CD2 3.69Å; Y58-Y295 HydrophobicContact CG-CD2 3.69Å; Y58-Y295 HydrophobicContact CG-CE2 4.24Å; Y58-Y295 AromaticContact CG-CG 3.81Å; Y58-Y295 HydrophobicContact CG-CG 3.81Å; Y58-V297 HydrophobicContact CD1-CG2 3.53Å; Y58-V297 HydrophobicContact CE1-CB 4.17Å; Y58-V297 HydrophobicContact CE1-CG2 3.47Å; Y58-V297 VanDerWaalsContact CE1-CG2 3.47Å; Y58-W301 HydrophobicContact CE1-CH2 4.33Å
59S73.2Confident70.8Confident64 Ų6473.5 Ų73.545%0.44841%0.409SS..Hα-helixtrans-64.1-41171.270.80000111R55 Q56 S61 S62 T63R55-S59 VanDerWaalsContact O-CB 3.31Å; R55-S59 WeakPolarHBondContact O-CB 3.32Å; R55-S59 PolarHBondContact O-N 3.11Å; R55-S59 PolarHBondContact O-OG 2.98Å; Q56-S59 PolarHBondContact O-OG 3Å; S59-S61 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.29Å; S59-S62 PolarHBondContact O-N 2.99Å; S59-T63 PolarHBondContact O-N 3.27Å; S59-T63 PolarHBondContact O-OG1 2.97Å; S59-T63 VanDerWaalsContact O-OG1 3.04Å
60S66.9Low69Low78 Ų7879.2 Ų79.255%0.54544%0.441SS..Hα-helixtrans-63.9-34.1179.8-58.50000112.6Q56 Y58 S64Q56-S60 PolarHBondContact O-N 3.47Å; Q56-S60 PolarHBondContact O-OG 3.5Å; Y58-S60 VanDerWaalsContact C-N 3.31Å; S60-S64 PolarHBondContact O-N 3.4Å
61S62.3Low67.4Low54 Ų5486.2 Ų86.238%0.37848%0.478SS..Hα-helixtrans-72.2-32.9175.953.30000113.3R57 Y58 S59 S65R57-S61 PolarHBondContact O-N 3.34Å; Y58-S61 WeakPolarHBondContact CA-OG 3.39Å; Y58-S61 PolarHBondContact O-N 3.33Å; Y58-S61 PolarHBondContact O-OG 3.03Å; S59-S61 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.29Å; S61-S65 PolarHBondContact O-OG 3.04Å
62S61.5Low65.8Low84 Ų8491 Ų9159%0.58750%0.499SS*.Hα-helixtrans-68.7-41.4179.9-179.40000111.7Y58 S59 S64 S65Y58-S62 PolarHBondContact O-N 2.86Å; S59-S62 PolarHBondContact O-N 2.99Å; S62-S64 PolarHBondContact O-N 3.49Å; S62-S65 PolarHBondContact O-N 2.99Å
63T58.2Low64.2Low96 Ų9697.3 Ų97.359%0.58953%0.528SS*.Hα-helixtrans-68.8-34.7-179.6-25.70000112.2S59 S65 S66S59-T63 PolarHBondContact O-N 3.27Å; S59-T63 PolarHBondContact O-OG1 2.97Å; S59-T63 VanDerWaalsContact O-OG1 3.04Å; T63-S65 VanDerWaalsContact C-N 3.29Å; T63-S65 PolarHBondContact O-N 2.8Å; T63-S66 PolarHBondContact O-N 3.41Å
64S53.8Low62.7Low75 Ų75105.3 Ų105.352%0.52456%0.563SS.*Hα-helixtrans-70.3-22.1-179.6-170.80000114S60 S62S60-S64 PolarHBondContact O-N 3.4Å; S62-S64 PolarHBondContact O-N 3.49Å
65S53.5Low61.1Low91 Ų91113.3 Ų113.364%0.63660%0.599SS**Hα-helixtrans-84-29.7179.5-60.80000112.7S61 S62 T63S61-S65 PolarHBondContact O-OG 3.04Å; S62-S65 PolarHBondContact O-N 2.99Å; T63-S65 VanDerWaalsContact C-N 3.29Å; T63-S65 PolarHBondContact O-N 2.8Å
66S52.7Low59.8Low93 Ų93112.6 Ų112.665%0.6561%0.607SS**Hα-helixtrans-71.7-32.5-178.9-168.60000113.2T63 K68T63-S66 PolarHBondContact O-N 3.41Å; S66-K68 VanDerWaalsContact C-N 3.3Å; S66-K68 PolarHBondContact O-N 3.37Å
67V55.1Low58.6Low110 Ų110115.3 Ų115.367%0.66762%0.619SS**G310 helixtrans-71.7-21.3-176.6177.50000113.2H69V67-H69 PolarHBondContact O-N 3.47Å
68K52.3Low57.6Low149 Ų149117.5 Ų117.565%0.64864%0.643SS**G310 helixtrans-85.9-0.2-174.3-76.6-173.4178.8174.60115.6S66S66-K68 VanDerWaalsContact C-N 3.3Å; S66-K68 PolarHBondContact O-N 3.37Å
69H53.4Low56.3Low168 Ų168124.8 Ų124.878%0.77868%0.682SS**G310 helixtrans-105.65.9-174.3-137.8-60.8000115.4V67V67-H69 PolarHBondContact O-N 3.47Å
70N54.1Low55.5Low146 Ų146129.7 Ų129.778%0.78170%0.703SS**  trans-113.910.9-176.4-94.39.7000116.4H72N70-H72 PolarHBondContact O-N 3.41Å
71D56.9Low54.6Low148 Ų148130.4 Ų130.479%0.79171%0.714SS**  trans-89.916.9-176.9-83.5-20000115.7
72H55.4Low53.6Low171 Ų171131.5 Ų131.579%0.79273%0.734SS**SBendtrans-131.1118.4171-81.2-14.2000110.7N70N70-H72 PolarHBondContact O-N 3.41Å
73H53.3Low52.8Low173 Ų173137.4 Ų137.480%0.80175%0.745SS**  trans96.391179-59.9-75.5000116.3
74H53.7Low51.8Low183 Ų183140.8 Ų140.885%0.84775%0.754SS**  179.8115.2102.3-108.8-78.5000111.7
75H51Low51.2Low171 Ų171143 Ų14379%0.79277%0.769SS**  trans-70.4129.3150.6-114.2-88.1000107.6
76D55.8Low50.7Low136 Ų136143.8 Ų143.873%0.72778%0.775SS**  trans139.3121.2136-76.9-16.7000113.9
77H55Low50.2Low174 Ų174145.5 Ų145.581%0.80678%0.781SS**  trans35.3119.4141.7-89.1-72.1000119.7
78S55Low49.3Very low101 Ų101149.6 Ų149.671%0.70679%0.79SS**  129.7110.2117.258.80000113.8
79D50.1Low48.8Very low156 Ų156147 Ų14783%0.83479%0.787SS**  trans26.299.2133.7-50.4-32000116.5
80D56.3Low48.4Very low166 Ų166145.6 Ų145.689%0.88878%0.784SS**  -170.4156.5121-125.7-31000114.2
81A47.1Very low47.8Very low93 Ų93140.8 Ų140.877%0.76977%0.769SS**  trans-49129.9-176.100000116.2
82G42.5Very low47Very low78 Ų78139.4 Ų139.480%0.80476%0.761SS**  trans-156.451.117500000113.2
83Y43.2Very low46.8Very low207 Ų207140.5 Ų140.581%0.81276%0.758SS**  trans-57.4131.4175.5-101.5-109.9000112.6
84H38.7Very low46.9Very low168 Ų168135.5 Ų135.578%0.77874%0.742SS**  trans48.5109151.3-67.6-53.9000120.2
85S40.8Very low47.2Very low122 Ų122130.2 Ų130.285%0.85373%0.725SS**  trans177.273.4136.6177.70000113.9
86S42.3Very low48.2Very low107 Ų107128.1 Ų128.175%0.74872%0.715SS**SBendtrans-146.71.2164.2-133.80000116.8
87T41.3Very low49.4Very low128 Ų128123.3 Ų123.379%0.78569%0.692SS**SBendtrans-103.9-1.4-174.1-24.70000114.2
88K36.4Very low50.7Low197 Ų197120.3 Ų120.386%0.85767%0.674SS**SBendtrans-88.4-12.9-174.7-73.6-168.9176.7-1780115.6
89T41.8Very low52.4Low95 Ų95118.7 Ų118.758%0.58366%0.657SS**Hα-helixtrans-79.8-29.1-177.139.40000113.8L92T89-L92 PolarHBondContact O-N 3.47Å
90I45.5Very low54.3Low137 Ų137114 Ų11470%0.70364%0.636SS**Hα-helixtrans-72.7-33.3-177.2-59.7173.2000111.6
91G41.4Very low56Low46 Ų46107 Ų10747%0.47460%0.598SS.*Hα-helixtrans-69.4-32.6177.300000113.6
92L40.6Very low58.2Low119 Ų119102.6 Ų102.662%0.62356%0.561SS**Hα-helixtrans-71.2-34.4-176.8-14879.1000112.1T89 Q96T89-L92 PolarHBondContact O-N 3.47Å; L92-Q96 WeakPolarHBondContact O-CB 3.05Å; L92-Q96 PolarHBondContact O-N 3.32Å
93W51.2Low60.6Low194 Ų194102.7 Ų102.774%0.73554%0.542SS*.Hα-helixtrans-72.2-32.2-176.8-76.635.9000112.8S97W93-S97 WeakPolarHBondContact O-CB 3.49Å; W93-S97 PolarHBondContact O-N 2.43Å; W93-S97 VanDerWaalsContact O-N 3.1Å; W93-S97 PolarHBondContact O-OG 3.33Å
94C54.8Low63Low67 Ų6796 Ų9645%0.45353%0.526SS..Hα-helixtrans-73.1-38.5177.4-166.50000111.9S97 R98C94-S97 PolarHBondContact O-OG 3.49Å; C94-R98 PolarHBondContact O-N 3Å
95C59.6Low65.7Low72 Ų7288.5 Ų88.549%0.48649%0.491SS..Hα-helixtrans-70.2-40.6175.5-64.60000111.6S97 R98 L99C95-S97 PolarHBondContact O-N 3.42Å; C95-R98 PolarHBondContact O-N 3.43Å; C95-L99 PolarHBondContact O-N 3.12Å; C95-L99 VanDerWaalsContact O-N 3.12Å
96Q73.4Confident68.4Low127 Ų12784.3 Ų84.359%0.59346%0.458SS*.Hα-helixtrans-66.9-36179.6-170.5174.80.200112.3L92 C100L92-Q96 WeakPolarHBondContact O-CB 3.05Å; L92-Q96 PolarHBondContact O-N 3.32Å; Q96-C100 VanDerWaalsContact O-CB 3.26Å; Q96-C100 WeakPolarHBondContact O-CB 2.95Å; Q96-C100 PolarHBondContact O-N 2.73Å
97S80.7Confident70.9Confident36 Ų3682.6 Ų82.625%0.25244%0.443SS..Hα-helixtrans-66.8-40.1177.266.50000112.1W93 C94 C95 E101W93-S97 WeakPolarHBondContact O-CB 3.49Å; W93-S97 PolarHBondContact O-N 2.43Å; W93-S97 VanDerWaalsContact O-N 3.1Å; W93-S97 PolarHBondContact O-OG 3.33Å; C94-S97 PolarHBondContact O-OG 3.49Å; C95-S97 PolarHBondContact O-N 3.42Å; S97-E101 VanDerWaalsContact O-CB 3.29Å; S97-E101 WeakPolarHBondContact O-CB 3.43Å; S97-E101 PolarHBondContact O-N 3.48Å
98R82.6Confident73.5Confident110 Ų11078.9 Ų78.942%0.41542%0.422SS..Hα-helixtrans-66.7-44.6178-72.3-175.7176.4-158-4.7112.6C94 C95 E101 G102C94-R98 PolarHBondContact O-N 3Å; C95-R98 PolarHBondContact O-N 3.43Å; R98-E101 PolarHBondContact O-N 3.46Å; R98-G102 PolarHBondContact O-N 3.35Å
99L89.6Confident76.4Confident68 Ų6869.7 Ų69.736%0.35638%0.382SS..Hα-helixtrans-62.6-45177.1-174.7148.3000111.2C95 E101 G102 I103C95-L99 PolarHBondContact O-N 3.12Å; C95-L99 VanDerWaalsContact O-N 3.12Å; L99-E101 PolarHBondContact O-N 2.86Å; L99-G102 PolarHBondContact O-N 3.4Å; L99-I103 HydrophobicContact CD2-CD1 3.43Å; L99-I103 VanDerWaalsContact CD2-CD1 3.43Å; L99-I103 HydrophobicContact CD2-CG1 4.28Å; L99-I103 HydrophobicContact CG-CD1 4.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 3.28Å
100C91.1Very high79Confident58 Ų5870.1 Ų70.139%0.39238%0.38SS..Hα-helixtrans-61.3-44.2176.6-172.60000111.4Q96 G102 I103 C104Q96-C100 VanDerWaalsContact O-CB 3.26Å; Q96-C100 WeakPolarHBondContact O-CB 2.95Å; Q96-C100 PolarHBondContact O-N 2.73Å; C100-G102 PolarHBondContact O-N 3.39Å; C100-I103 PolarHBondContact O-N 3.1Å; C100-C104 WeakPolarHBondContact O-CB 3.28Å; C100-C104 PolarHBondContact O-N 3Å; C100-C104 PolarHBondContact O-SG 3.34Å
101E91.6Very high81.4Confident18 Ų1867.4 Ų67.48%0.08437%0.367CS..Hα-helixtrans-59.6-45.5176.3-178.9169.9161.600112W48 W49 S97 R98 L99 C104 K105W48-E101 PolarHBondContact NE1-OE2 3.33Å; W48-E101 VanDerWaalsContact NE1-OE2 3.1Å; W49-E101 PolarHBondContact NE1-OE1 2.95Å; S97-E101 VanDerWaalsContact O-CB 3.29Å; S97-E101 WeakPolarHBondContact O-CB 3.43Å; S97-E101 PolarHBondContact O-N 3.48Å; R98-E101 PolarHBondContact O-N 3.46Å; L99-E101 PolarHBondContact O-N 2.86Å; E101-C104 PolarHBondContact O-N 3.23Å; E101-K105 HydrophobicContact CG-CD 4.2Å; E101-K105 VanDerWaalsContact O-CG 3.26Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 3.44Å; E101-K105 VanDerWaalsContact OE1-CE 3.28Å; E101-K105 WeakPolarHBondContact OE1-CE 3.47Å; E101-K105 IonicContact OE1-NZ 4Å; E101-K105 PolarHBondContact OE1-NZ 3.05Å
102G92.5Very high83.9Confident0 Ų065.2 Ų65.20%034%0.344CS..Hα-helixtrans-60.6-46.8176.100000113.3R98 L99 C100 K105 I106 D144R98-G102 PolarHBondContact O-N 3.35Å; L99-G102 PolarHBondContact O-N 3.4Å; C100-G102 PolarHBondContact O-N 3.39Å; G102-K105 PolarHBondContact O-N 3.49Å; G102-I106 WeakPolarHBondContact O-CG1 3.28Å; G102-I106 PolarHBondContact O-N 3.11Å; G102-D144 VanDerWaalsContact CA-CB 3.47Å
103I94.2Very high86.5Confident80 Ų8061.9 Ų61.941%0.4133%0.326SS..Hα-helixtrans-61.7-47176.4-67.6177000110.7L99 C100 K105 I106 V107 I145L99-I103 HydrophobicContact CD2-CD1 3.43Å; L99-I103 VanDerWaalsContact CD2-CD1 3.43Å; L99-I103 HydrophobicContact CD2-CG1 4.28Å; L99-I103 HydrophobicContact CG-CD1 4.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.36Å; L99-I103 PolarHBondContact O-N 3.28Å; C100-I103 PolarHBondContact O-N 3.1Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 PolarHBondContact O-N 3Å; I103-I106 PolarHBondContact O-N 3.31Å; I103-V107 HydrophobicContact CG2-CG2 4.21Å; I103-V107 WeakPolarHBondContact O-CG2 3.47Å; I103-V107 PolarHBondContact O-N 3.38Å; I103-I145 HydrophobicContact CG1-CD1 4.07Å; I103-I145 HydrophobicContact CG1-CG1 4.48Å
104C94.1Very high88.6Confident68 Ų6856.6 Ų56.646%0.45932%0.315SS..Hα-helixtrans-58.3-43.6177.7-75.20000111.6C100 E101 V107 C108C100-C104 WeakPolarHBondContact O-CB 3.28Å; C100-C104 PolarHBondContact O-N 3Å; C100-C104 PolarHBondContact O-SG 3.34Å; E101-C104 PolarHBondContact O-N 3.23Å; C104-V107 PolarHBondContact O-N 3.49Å; C104-C108 WeakPolarHBondContact O-CB 3.45Å; C104-C108 PolarHBondContact O-N 3.31Å; C104-C108 PolarHBondContact O-SG 3.12Å
105K95.2Very high90.5Very high9 Ų954.2 Ų54.24%0.03930%0.299CS..Hα-helixtrans-59.7-47.6176.4-72.3170.4178.8166.50111.8E101 G102 I103 C108 C109 M137 D144 Y162E101-K105 HydrophobicContact CG-CD 4.2Å; E101-K105 VanDerWaalsContact O-CG 3.26Å; E101-K105 WeakPolarHBondContact O-CG 3.38Å; E101-K105 PolarHBondContact O-N 3.44Å; E101-K105 VanDerWaalsContact OE1-CE 3.28Å; E101-K105 WeakPolarHBondContact OE1-CE 3.47Å; E101-K105 IonicContact OE1-NZ 4Å; E101-K105 PolarHBondContact OE1-NZ 3.05Å; G102-K105 PolarHBondContact O-N 3.49Å; I103-K105 VanDerWaalsContact C-N 3.31Å; I103-K105 PolarHBondContact O-N 3Å; K105-C108 PolarHBondContact O-N 3.29Å; K105-C109 WeakPolarHBondContact O-CB 3.28Å; K105-C109 PolarHBondContact O-N 3.05Å; K105-C109 PolarHBondContact O-SG 3.12Å; K105-M137 HydrophobicContact CB-CE 4.19Å; K105-M137 HydrophobicContact CD-CE 3.58Å; K105-M137 HydrophobicContact CG-CE 3.54Å; K105-D144 VanDerWaalsContact CD-OD2 3.27Å; K105-D144 WeakPolarHBondContact CD-OD2 3.31Å; K105-D144 WeakPolarHBondContact CE-OD2 3.46Å; K105-D144 IonicContact NZ-OD1 2.73Å; K105-D144 IonicContact NZ-OD2 2.72Å; K105-D144 PolarHBondContact NZ-OD2 3.02Å; K105-Y162 VanDerWaalsContact NZ-CE1 3.26Å
106I95.7Very high92.1Very high34 Ų3450.8 Ų50.817%0.17428%0.276CS..Hα-helixtrans-63.3-46.5179.6-66.4176.9000111G102 I103 C108 C109 L110 L142 I145G102-I106 WeakPolarHBondContact O-CG1 3.28Å; G102-I106 PolarHBondContact O-N 3.11Å; I103-I106 PolarHBondContact O-N 3.31Å; I106-C108 PolarHBondContact O-N 3.49Å; I106-C109 PolarHBondContact O-N 2.85Å; I106-C109 VanDerWaalsContact O-N 3.14Å; I106-L110 HydrophobicContact CG2-CD1 4.21Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.41Å; I106-L142 HydrophobicContact CD1-CD2 3.8Å; I106-L142 HydrophobicContact CD1-CG 4.14Å; I106-I145 HydrophobicContact CD1-CD1 3.46Å; I106-I145 VanDerWaalsContact CD1-CD1 3.46Å
107V96.3Very high93.1Very high71 Ų7149 Ų4943%0.4327%0.27SS..Hα-helixtrans-61.5-44.8178.8172.60000111I103 C104 C109 L110 I111I103-V107 HydrophobicContact CG2-CG2 4.21Å; I103-V107 WeakPolarHBondContact O-CG2 3.47Å; I103-V107 PolarHBondContact O-N 3.38Å; C104-V107 PolarHBondContact O-N 3.49Å; V107-C109 VanDerWaalsContact C-N 3.32Å; V107-C109 PolarHBondContact O-N 3.35Å; V107-L110 PolarHBondContact O-N 3.38Å; V107-I111 HydrophobicContact CG1-CD1 3.93Å; V107-I111 WeakPolarHBondContact O-CG1 3.44Å; V107-I111 PolarHBondContact O-N 3.21Å
108C95.8Very high93.6Very high51 Ų5151.2 Ų51.235%0.34528%0.278SS..Hα-helixtrans-61.6-38.7174-72.10000112.1Y37 C104 K105 I106 G112Y37-C108 WeakPolarHBondContact OH-CA 3.45Å; Y37-C108 PolarHBondContact OH-O 3.17Å; C104-C108 WeakPolarHBondContact O-CB 3.45Å; C104-C108 PolarHBondContact O-N 3.31Å; C104-C108 PolarHBondContact O-SG 3.12Å; K105-C108 PolarHBondContact O-N 3.29Å; I106-C108 PolarHBondContact O-N 3.49Å; C108-G112 PolarHBondContact O-N 3.28Å
109C96.2Very high94Very high3 Ų346 Ų462%0.0226%0.258CS..Hα-helixtrans-66.6-40.6176.3-67.30000112.3K105 I106 V107 G112 I113 Y134 M137 T138K105-C109 WeakPolarHBondContact O-CB 3.28Å; K105-C109 PolarHBondContact O-N 3.05Å; K105-C109 PolarHBondContact O-SG 3.12Å; I106-C109 PolarHBondContact O-N 2.85Å; I106-C109 VanDerWaalsContact O-N 3.14Å; V107-C109 VanDerWaalsContact C-N 3.32Å; V107-C109 PolarHBondContact O-N 3.35Å; C109-G112 PolarHBondContact O-N 3.46Å; C109-I113 VanDerWaalsContact O-CG1 3.29Å; C109-I113 WeakPolarHBondContact O-CG1 3.42Å; C109-I113 PolarHBondContact O-N 3.45Å; C109-Y134 HydrophobicContact CB-CD1 4.29Å; C109-M137 VanDerWaalsContact SG-CB 3.56Å; C109-M137 VanDerWaalsContact SG-CG 3.53Å; C109-T138 VanDerWaalsContact CB-OG1 3.28Å; C109-T138 WeakPolarHBondContact CB-OG1 3.34Å
110L96.2Very high94Very high104 Ų10443.9 Ų43.955%0.54525%0.247SC..Hα-helixtrans-62.6-46.5176.3-71.1174.3000111.6I106 V107 G112 I113 V114I106-L110 HydrophobicContact CG2-CD1 4.21Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 WeakPolarHBondContact O-CG 3.44Å; I106-L110 PolarHBondContact O-N 3.41Å; V107-L110 PolarHBondContact O-N 3.38Å; L110-G112 VanDerWaalsContact C-N 3.29Å; L110-G112 PolarHBondContact O-N 3.48Å; L110-I113 PolarHBondContact O-N 3.37Å; L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 3.12Å
111I96.4Very high94Very high81 Ų8150.1 Ų50.142%0.41527%0.267SS..Hα-helixtrans-61.9-41.4175.2-63.6165.2000110Y37 V107 I113 V114 V115Y37-I111 HydrophobicContact CD2-CG2 4.32Å; Y37-I111 HydrophobicContact CE1-CG2 4.45Å; Y37-I111 HydrophobicContact CE2-CB 4.26Å; Y37-I111 HydrophobicContact CE2-CG2 3.43Å; Y37-I111 VanDerWaalsContact CE2-CG2 3.43Å; Y37-I111 VanDerWaalsContact OH-CB 3.31Å; Y37-I111 WeakPolarHBondContact OH-CB 3.33Å; Y37-I111 WeakPolarHBondContact OH-CG2 3.26Å; V107-I111 HydrophobicContact CG1-CD1 3.93Å; V107-I111 WeakPolarHBondContact O-CG1 3.44Å; V107-I111 PolarHBondContact O-N 3.21Å; I111-I113 PolarHBondContact O-N 3.38Å; I111-V114 PolarHBondContact O-N 3.34Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.32Å
112G95Very high93.7Very high0 Ų053.2 Ų53.20%028%0.284CS..Hα-helixtrans-57.8-47.6174.800000113.2Y37 C108 C109 L110 V114 V115 E116Y37-G112 VanDerWaalsContact CE1-N 3.35Å; C108-G112 PolarHBondContact O-N 3.28Å; C109-G112 PolarHBondContact O-N 3.46Å; L110-G112 VanDerWaalsContact C-N 3.29Å; L110-G112 PolarHBondContact O-N 3.48Å; G112-V114 VanDerWaalsContact C-N 3.3Å; G112-V114 PolarHBondContact O-N 3.17Å; G112-V115 PolarHBondContact O-N 3.13Å; G112-E116 WeakPolarHBondContact O-CB 3.36Å; G112-E116 WeakPolarHBondContact O-CG 3.46Å; G112-E116 PolarHBondContact O-N 3.27Å
113I95Very high93.1Very high49 Ų4955.6 Ų55.625%0.25131%0.309SS..Hα-helixtrans-60-41175.3-68.2163.8000111C109 L110 I111 E116 L117 F131 Y134C109-I113 VanDerWaalsContact O-CG1 3.29Å; C109-I113 WeakPolarHBondContact O-CG1 3.42Å; C109-I113 PolarHBondContact O-N 3.45Å; L110-I113 PolarHBondContact O-N 3.37Å; I111-I113 PolarHBondContact O-N 3.38Å; I113-E116 WeakPolarHBondContact O-CB 3.3Å; I113-E116 PolarHBondContact O-N 3.48Å; I113-L117 HydrophobicContact CG2-CD1 4.07Å; I113-L117 HydrophobicContact CG2-CG 4.5Å; I113-L117 VanDerWaalsContact O-CG 3.25Å; I113-L117 WeakPolarHBondContact O-CG 3.29Å; I113-L117 PolarHBondContact O-N 3.27Å; I113-F131 HydrophobicContact CG2-CD1 4.49Å; I113-F131 HydrophobicContact CG2-CE1 4.17Å; I113-Y134 HydrophobicContact CG1-CD2 4.37Å; I113-Y134 HydrophobicContact CG1-CG 4.23Å
114V95.5Very high92.6Very high82 Ų8252.4 Ų52.450%0.49729%0.292SS..Hα-helixtrans-64.4-43.8175.8173.20000111.3L110 I111 G112 E116 L117 I118L110-V114 WeakPolarHBondContact O-CG2 3.36Å; L110-V114 PolarHBondContact O-N 3.12Å; I111-V114 PolarHBondContact O-N 3.34Å; G112-V114 VanDerWaalsContact C-N 3.3Å; G112-V114 PolarHBondContact O-N 3.17Å; V114-E116 VanDerWaalsContact C-N 3.34Å; V114-E116 PolarHBondContact O-N 2.91Å; V114-L117 PolarHBondContact O-N 3.44Å; V114-I118 HydrophobicContact CG1-CD1 3.98Å; V114-I118 VanDerWaalsContact O-CG1 3.31Å; V114-I118 WeakPolarHBondContact O-CG1 3.39Å; V114-I118 PolarHBondContact O-N 3.15Å
115V94.4Very high92.2Very high18 Ų1853.3 Ų53.311%0.10929%0.292CS..Hα-helixtrans-59.5-46.3175.5169.50000110.4L33 Y37 I111 G112 L117 I118 T119L33-V115 HydrophobicContact CD2-CG1 4.1Å; L33-V115 HydrophobicContact CG-CG1 3.91Å; Y37-V115 HydrophobicContact CD1-CG2 4.5Å; Y37-V115 HydrophobicContact CD2-CG2 4.2Å; Y37-V115 HydrophobicContact CG-CB 4.48Å; Y37-V115 HydrophobicContact CG-CG1 4.47Å; Y37-V115 HydrophobicContact CG-CG2 4.1Å; I111-V115 HydrophobicContact CG2-CG2 4.37Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.32Å; G112-V115 PolarHBondContact O-N 3.13Å; V115-L117 PolarHBondContact O-N 3.18Å; V115-I118 WeakPolarHBondContact O-CB 3.34Å; V115-I118 PolarHBondContact O-N 2.72Å; V115-I118 VanDerWaalsContact O-N 3.16Å; V115-T119 WeakPolarHBondContact O-CG2 3.44Å; V115-T119 PolarHBondContact O-N 3.22Å
116E93.1Very high91.8Very high0 Ų059.8 Ų59.80%032%0.322CS..Hα-helixtrans-56.8-48.4175.4-71.3-70.6138.800111.8S34 G112 I113 V114 I118 T119 L120 R124 A129 Q130 F131 Y134S34-E116 WeakPolarHBondContact CB-OE1 3.42Å; S34-E116 PolarHBondContact OG-OE1 2.89Å; G112-E116 WeakPolarHBondContact O-CB 3.36Å; G112-E116 WeakPolarHBondContact O-CG 3.46Å; G112-E116 PolarHBondContact O-N 3.27Å; I113-E116 WeakPolarHBondContact O-CB 3.3Å; I113-E116 PolarHBondContact O-N 3.48Å; V114-E116 VanDerWaalsContact C-N 3.34Å; V114-E116 PolarHBondContact O-N 2.91Å; E116-I118 VanDerWaalsContact C-N 3.3Å; E116-I118 PolarHBondContact O-N 3.32Å; E116-T119 WeakPolarHBondContact CA-OG1 3.28Å; E116-T119 PolarHBondContact O-N 3.41Å; E116-T119 VanDerWaalsContact O-N 3.08Å; E116-T119 PolarHBondContact O-OG1 3.22Å; E116-L120 WeakPolarHBondContact O-CG 3.06Å; E116-L120 PolarHBondContact O-N 2.94Å; E116-R124 IonicContact OE1-NH2 2.91Å; E116-R124 PolarHBondContact OE1-NH2 3.43Å; E116-R124 VanDerWaalsContact OE1-NH2 3.07Å; E116-R124 IonicContact OE2-CZ 2.57Å; E116-R124 IonicContact OE2-NH2 3.07Å; E116-R124 PolarHBondContact OE2-NH2 3.21Å; E116-A129 VanDerWaalsContact OE2-CA 3.25Å; E116-A129 WeakPolarHBondContact OE2-CA 3.45Å; E116-Q130 PolarHBondContact OE2-N 3.4Å; E116-F131 HydrophobicContact CB-CD1 4.36Å; E116-F131 HydrophobicContact CB-CE1 3.66Å; E116-F131 HydrophobicContact CB-CZ 4.06Å; E116-F131 HydrophobicContact CG-CE1 4.45Å; E116-Y134 HydrophobicContact CG-CD2 4.09Å; E116-Y134 HydrophobicContact CG-CE2 3.51Å
117L93.8Very high91.3Very high89 Ų8965.4 Ų65.447%0.46635%0.348SS..Hα-helixtrans-61.4-36.3176.7-70.7169000112.8I113 V114 V115 L120 K121 F131I113-L117 HydrophobicContact CG2-CD1 4.07Å; I113-L117 HydrophobicContact CG2-CG 4.5Å; I113-L117 VanDerWaalsContact O-CG 3.25Å; I113-L117 WeakPolarHBondContact O-CG 3.29Å; I113-L117 PolarHBondContact O-N 3.27Å; V114-L117 PolarHBondContact O-N 3.44Å; V115-L117 PolarHBondContact O-N 3.18Å; L117-L120 HydrophobicContact CD2-CD1 4.34Å; L117-K121 PolarHBondContact O-N 3.25Å; L117-F131 HydrophobicContact CD2-CE1 4.47Å; L117-F131 HydrophobicContact CD2-CZ 4.03Å; L117-F131 HydrophobicContact CG-CE1 4.4Å; L117-F131 HydrophobicContact CG-CZ 4.36Å
118I92.3Very high90.8Very high82 Ų8263.8 Ų63.842%0.42133%0.334SS..Hα-helixtrans-65.6-43.2173.2-67.5164.6000110.1L33 V114 V115 E116 L120 K121 L122L33-I118 HydrophobicContact CD2-CG2 4.42Å; V114-I118 HydrophobicContact CG1-CD1 3.98Å; V114-I118 VanDerWaalsContact O-CG1 3.31Å; V114-I118 WeakPolarHBondContact O-CG1 3.39Å; V114-I118 PolarHBondContact O-N 3.15Å; V115-I118 WeakPolarHBondContact O-CB 3.34Å; V115-I118 PolarHBondContact O-N 2.72Å; V115-I118 VanDerWaalsContact O-N 3.16Å; E116-I118 VanDerWaalsContact C-N 3.3Å; E116-I118 PolarHBondContact O-N 3.32Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.4Å; I118-K121 WeakPolarHBondContact O-CB 3.34Å; I118-K121 PolarHBondContact O-N 3.29Å; I118-K121 VanDerWaalsContact O-N 3.15Å; I118-L122 PolarHBondContact O-N 3.46Å
119T90.4Very high90.5Very high0 Ų061.6 Ų61.60%032%0.32CS..Hα-helixtrans-65.3-33.7178.461.80000113.2G30 L33 V115 E116 K121 L122 R124G30-T119 WeakPolarHBondContact O-CG2 3.41Å; L33-T119 HydrophobicContact CB-CG2 4.21Å; L33-T119 HydrophobicContact CD2-CG2 4.14Å; V115-T119 WeakPolarHBondContact O-CG2 3.44Å; V115-T119 PolarHBondContact O-N 3.22Å; E116-T119 WeakPolarHBondContact CA-OG1 3.28Å; E116-T119 PolarHBondContact O-N 3.41Å; E116-T119 VanDerWaalsContact O-N 3.08Å; E116-T119 PolarHBondContact O-OG1 3.22Å; T119-K121 VanDerWaalsContact C-N 3.32Å; T119-K121 PolarHBondContact O-N 3.46Å; T119-L122 WeakPolarHBondContact O-CB 3.42Å; T119-L122 PolarHBondContact O-N 3.2Å; T119-L122 VanDerWaalsContact O-N 3.1Å; T119-R124 VanDerWaalsContact O-CB 3.29Å; T119-R124 WeakPolarHBondContact O-CB 3.42Å; T119-R124 PolarHBondContact O-N 2.83Å
120L89.7Confident90.3Very high24 Ų2462 Ų6213%0.12632%0.321CS..Hα-helixtrans-64.2-38173.1-66.3171.6000111.7E116 L117 I118 L122 G123 R124 A129 F131E116-L120 WeakPolarHBondContact O-CG 3.06Å; E116-L120 PolarHBondContact O-N 2.94Å; L117-L120 HydrophobicContact CD2-CD1 4.34Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.4Å; L120-L122 PolarHBondContact O-N 3.07Å; L120-G123 PolarHBondContact O-N 3.37Å; L120-G123 VanDerWaalsContact O-N 3.09Å; L120-R124 HydrophobicContact CD2-CB 4.48Å; L120-R124 WeakPolarHBondContact CD2-O 3.25Å; L120-A129 HydrophobicContact CD2-CB 4.47Å; L120-F131 HydrophobicContact CD1-CE2 3.79Å; L120-F131 HydrophobicContact CD1-CZ 3.64Å
121K89.9Confident90.2Very high189 Ų18959.9 Ų59.982%0.82231%0.308SS*.Hα-helixtrans-66.7-21.5173.5-71.5-175.4176.5-175.70113.4L117 I118 T119 G123L117-K121 PolarHBondContact O-N 3.25Å; I118-K121 WeakPolarHBondContact O-CB 3.34Å; I118-K121 PolarHBondContact O-N 3.29Å; I118-K121 VanDerWaalsContact O-N 3.15Å; T119-K121 VanDerWaalsContact C-N 3.32Å; T119-K121 PolarHBondContact O-N 3.46Å; K121-G123 PolarHBondContact O-N 2.88Å
122L86Confident90.2Very high83 Ų8358.9 Ų58.944%0.43531%0.306SS..THydrogen-bonded Turntrans-84.18.2173.4-64.2172000112.7E29 I118 T119 L120E29-L122 WeakPolarHBondContact CB-O 3.5Å; I118-L122 PolarHBondContact O-N 3.46Å; T119-L122 WeakPolarHBondContact O-CB 3.42Å; T119-L122 PolarHBondContact O-N 3.2Å; T119-L122 VanDerWaalsContact O-N 3.1Å; L120-L122 PolarHBondContact O-N 3.07Å
123G80.8Confident90.2Very high51 Ų5159.2 Ų59.253%0.52631%0.308SS..THydrogen-bonded Turntrans94.312.8175.400000115L120 K121L120-G123 PolarHBondContact O-N 3.37Å; L120-G123 VanDerWaalsContact O-N 3.09Å; K121-G123 PolarHBondContact O-N 2.88Å
124R83.2Confident90.3Very high12 Ų1257.1 Ų57.15%0.04530%0.297CS..  trans-73.8136.7171.2-173.6165.4110.9136.6-13.8111.2S34 E116 T119 L120 Y128S34-R124 PolarHBondContact OG-NH2 3.38Å; E116-R124 IonicContact OE1-NH2 2.91Å; E116-R124 PolarHBondContact OE1-NH2 3.43Å; E116-R124 VanDerWaalsContact OE1-NH2 3.07Å; E116-R124 IonicContact OE2-CZ 2.57Å; E116-R124 IonicContact OE2-NH2 3.07Å; E116-R124 PolarHBondContact OE2-NH2 3.21Å; T119-R124 VanDerWaalsContact O-CB 3.29Å; T119-R124 WeakPolarHBondContact O-CB 3.42Å; T119-R124 PolarHBondContact O-N 2.83Å; L120-R124 HydrophobicContact CD2-CB 4.48Å; L120-R124 WeakPolarHBondContact CD2-O 3.25Å; R124-Y128 VanDerWaalsContact CZ-O 3.29Å; R124-Y128 PolarHBondContact NH1-O 3.42Å; R124-Y128 PolarHBondContact NH2-O 2.83Å; R124-Y128 VanDerWaalsContact NH2-O 3.14Å
125D85.4Confident90.3Very high87 Ų8757.4 Ų57.447%0.46530%0.299SS..  trans-67.4141.6176.3-59.1-42.9000112E127 Y128D125-E127 PolarHBondContact O-N 3.21Å; D125-E127 VanDerWaalsContact O-N 3.11Å; D125-Y128 HydrophobicContact CB-CD2 3.76Å; D125-Y128 HydrophobicContact CB-CE2 3.91Å; D125-Y128 PolarHBondContact O-N 3.27Å; D125-Y128 VanDerWaalsContact O-N 3.14Å
126H86Confident90.4Very high145 Ų14556.9 Ų56.967%0.67130%0.296SS*.G310 helixtrans-56.2-28.3178.5-75.4-73.4000113.4Y128 A129H126-Y128 VanDerWaalsContact C-N 3.27Å; H126-Y128 PolarHBondContact O-N 3.05Å; H126-A129 WeakPolarHBondContact O-CB 3.48Å; H126-A129 PolarHBondContact O-N 3.48Å
127E86Confident90.5Very high153 Ų15357.6 Ų57.672%0.71530%0.3SS*.G310 helixtrans-70-22.6-177.3-59.4-175173.300113.3D125 Q176D125-E127 PolarHBondContact O-N 3.21Å; D125-E127 VanDerWaalsContact O-N 3.11Å; E127-Q176 PolarHBondContact O-NE2 3.31Å
128Y85.8Confident90.6Very high36 Ų3655 Ų5514%0.14129%0.288CS..G310 helixtrans-92.7-3.1178.7-57.1-58.3000113.7R124 D125 H126 Q130 Q176 Q180R124-Y128 VanDerWaalsContact CZ-O 3.29Å; R124-Y128 PolarHBondContact NH1-O 3.42Å; R124-Y128 PolarHBondContact NH2-O 2.83Å; R124-Y128 VanDerWaalsContact NH2-O 3.14Å; D125-Y128 HydrophobicContact CB-CD2 3.76Å; D125-Y128 HydrophobicContact CB-CE2 3.91Å; D125-Y128 PolarHBondContact O-N 3.27Å; D125-Y128 VanDerWaalsContact O-N 3.14Å; H126-Y128 VanDerWaalsContact C-N 3.27Å; H126-Y128 PolarHBondContact O-N 3.05Å; Y128-Q130 PolarHBondContact O-NE2 3.21Å; Y128-Q176 HydrophobicContact CD1-CB 4.02Å; Y128-Q176 HydrophobicContact CD1-CG 3.85Å; Y128-Q176 HydrophobicContact CE1-CB 4.25Å; Y128-Q176 HydrophobicContact CE1-CG 4.34Å; Y128-Q180 PolarHBondContact OH-NE2 3.2Å
129A90.3Very high90.7Very high5 Ų553.8 Ų53.84%0.04128%0.284CS..  trans-64.2140.8179.300000112.2E116 L120 H126 F131E116-A129 VanDerWaalsContact OE2-CA 3.25Å; E116-A129 WeakPolarHBondContact OE2-CA 3.45Å; L120-A129 HydrophobicContact CD2-CB 4.47Å; H126-A129 WeakPolarHBondContact O-CB 3.48Å; H126-A129 PolarHBondContact O-N 3.48Å; A129-F131 HydrophobicContact CB-CD2 3.41Å; A129-F131 VanDerWaalsContact CB-CD2 3.41Å; A129-F131 HydrophobicContact CB-CE2 3.39Å; A129-F131 HydrophobicContact CB-CG 4.2Å; A129-F131 HydrophobicContact CB-CZ 4.15Å; A129-F131 PolarHBondContact O-N 3.43Å
130Q91.8Very high90.9Very high13 Ų1353.8 Ų53.86%0.06128%0.284CS..  trans-90.824.5-178.5-59.7-63.9-56.100112.4L38 E116 Y128 P132 F133 Y134L38-Q130 HydrophobicContact CD2-CG 4.16Å; E116-Q130 PolarHBondContact OE2-N 3.4Å; Y128-Q130 PolarHBondContact O-NE2 3.21Å; Q130-P132 VanDerWaalsContact C-CD 3.47Å; Q130-F133 WeakPolarHBondContact O-CB 3.44Å; Q130-F133 PolarHBondContact O-N 2.73Å; Q130-F133 VanDerWaalsContact O-N 3.14Å; Q130-Y134 HydrophobicContact CB-CD2 4.34Å; Q130-Y134 HydrophobicContact CB-CE2 3.96Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.22Å; Q130-Y134 PolarHBondContact O-N 3.1Å
131F93.9Very high91.1Very high58 Ų5852.6 Ų52.625%0.25428%0.278SS..Hα-helixtrans-53.3-44.4179.5-61.5-55000113.7I113 E116 L117 L120 A129 F133 Y134 T135I113-F131 HydrophobicContact CG2-CD1 4.49Å; I113-F131 HydrophobicContact CG2-CE1 4.17Å; E116-F131 HydrophobicContact CB-CD1 4.36Å; E116-F131 HydrophobicContact CB-CE1 3.66Å; E116-F131 HydrophobicContact CB-CZ 4.06Å; E116-F131 HydrophobicContact CG-CE1 4.45Å; L117-F131 HydrophobicContact CD2-CE1 4.47Å; L117-F131 HydrophobicContact CD2-CZ 4.03Å; L117-F131 HydrophobicContact CG-CE1 4.4Å; L117-F131 HydrophobicContact CG-CZ 4.36Å; L120-F131 HydrophobicContact CD1-CE2 3.79Å; L120-F131 HydrophobicContact CD1-CZ 3.64Å; A129-F131 HydrophobicContact CB-CD2 3.41Å; A129-F131 VanDerWaalsContact CB-CD2 3.41Å; A129-F131 HydrophobicContact CB-CE2 3.39Å; A129-F131 HydrophobicContact CB-CG 4.2Å; A129-F131 HydrophobicContact CB-CZ 4.15Å; A129-F131 PolarHBondContact O-N 3.43Å; F131-F133 VanDerWaalsContact C-N 3.26Å; F131-F133 PolarHBondContact O-N 2.68Å; F131-Y134 PolarHBondContact O-N 3.1Å; F131-Y134 VanDerWaalsContact O-N 3.15Å; F131-T135 PolarHBondContact O-N 3.05Å; F131-T135 PolarHBondContact O-OG1 3.19Å; F131-T135 VanDerWaalsContact O-OG1 3.1Å
132P95.4Very high91.3Very high60 Ų6048.2 Ų48.239%0.3926%0.263SS..Hα-helixtrans-59.4-37.1179.4-25.736.8000113.1Q130 A136 V168Q130-P132 VanDerWaalsContact C-CD 3.47Å; P132-A136 WeakPolarHBondContact O-CB 3.25Å; P132-A136 PolarHBondContact O-N 2.86Å; P132-V168 HydrophobicContact CB-CG1 3.46Å; P132-V168 VanDerWaalsContact CB-CG1 3.46Å
133F95.8Very high91.6Very high8 Ų844.8 Ų44.84%0.03525%0.245CC..Hα-helixtrans-63.7-50.1175172.8-90.3000111.1L38 L42 Q130 F131 T135 A136 M137 P165 Q169L38-F133 HydrophobicContact CD1-CD1 3.59Å; L38-F133 HydrophobicContact CD1-CE1 3.27Å; L38-F133 HydrophobicContact CD1-CG 4.46Å; L38-F133 HydrophobicContact CD1-CZ 3.9Å; L42-F133 HydrophobicContact CD1-CZ 4.31Å; L42-F133 HydrophobicContact CD2-CZ 3.89Å; L42-F133 HydrophobicContact CG-CZ 4.32Å; Q130-F133 WeakPolarHBondContact O-CB 3.44Å; Q130-F133 PolarHBondContact O-N 2.73Å; Q130-F133 VanDerWaalsContact O-N 3.14Å; F131-F133 VanDerWaalsContact C-N 3.26Å; F131-F133 PolarHBondContact O-N 2.68Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 2.84Å; F133-A136 PolarHBondContact O-N 2.97Å; F133-M137 HydrophobicContact CE1-CB 4.28Å; F133-M137 HydrophobicContact CZ-CB 4.46Å; F133-M137 WeakPolarHBondContact O-CB 3.29Å; F133-M137 PolarHBondContact O-N 3.37Å; F133-P165 HydrophobicContact CD2-CB 3.82Å; F133-P165 WeakPolarHBondContact CD2-O 3.26Å; F133-P165 HydrophobicContact CE2-CB 3.62Å; F133-P165 HydrophobicContact CZ-CB 4.35Å; F133-Q169 HydrophobicContact CD2-CB 3.99Å; F133-Q169 HydrophobicContact CD2-CG 4.35Å
134Y96.1Very high92.1Very high5 Ų542.4 Ų42.42%0.0222%0.22CC..Hα-helixtrans-63.6-36.1-180-68.5-60.8000112.7Y37 L38 C109 I113 E116 Q130 F131 M137 T138Y37-Y134 HydrophobicContact CE1-CE1 4.42Å; L38-Y134 HydrophobicContact CD1-CE1 4.26Å; C109-Y134 HydrophobicContact CB-CD1 4.29Å; I113-Y134 HydrophobicContact CG1-CD2 4.37Å; I113-Y134 HydrophobicContact CG1-CG 4.23Å; E116-Y134 HydrophobicContact CG-CD2 4.09Å; E116-Y134 HydrophobicContact CG-CE2 3.51Å; Q130-Y134 HydrophobicContact CB-CD2 4.34Å; Q130-Y134 HydrophobicContact CB-CE2 3.96Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.22Å; Q130-Y134 PolarHBondContact O-N 3.1Å; F131-Y134 PolarHBondContact O-N 3.1Å; F131-Y134 VanDerWaalsContact O-N 3.15Å; Y134-M137 PolarHBondContact O-N 2.93Å; Y134-T138 WeakPolarHBondContact O-CB 3.47Å; Y134-T138 PolarHBondContact O-N 3.24Å; Y134-T138 PolarHBondContact O-OG1 2.93Å
135T95.4Very high92.6Very high87 Ų8744 Ų4453%0.53423%0.23SC..Hα-helixtrans-63.7-48.8174.2-57.60000111.2F131 F133 M137 T138 T139F131-T135 PolarHBondContact O-N 3.05Å; F131-T135 PolarHBondContact O-OG1 3.19Å; F131-T135 VanDerWaalsContact O-OG1 3.1Å; F133-T135 VanDerWaalsContact C-N 3.31Å; F133-T135 PolarHBondContact O-N 2.84Å; T135-M137 VanDerWaalsContact C-N 3.31Å; T135-M137 PolarHBondContact O-N 3.5Å; T135-T138 WeakPolarHBondContact O-CB 3.46Å; T135-T138 PolarHBondContact O-N 3.24Å; T135-T139 PolarHBondContact O-N 2.7Å
136A96.6Very high92.9Very high7 Ų742.9 Ų42.96%0.05822%0.223CC..Hα-helixtrans-64.1-35.4176.500000112.5P132 F133 T138 T139 A140 L164 P165 V168P132-A136 WeakPolarHBondContact O-CB 3.25Å; P132-A136 PolarHBondContact O-N 2.86Å; F133-A136 PolarHBondContact O-N 2.97Å; A136-T138 VanDerWaalsContact C-N 3.34Å; A136-T139 PolarHBondContact O-N 3.47Å; A136-T139 PolarHBondContact O-OG1 2.87Å; A136-A140 PolarHBondContact O-N 3.33Å; A136-L164 HydrophobicContact CB-CD2 4.31Å; A136-L164 HydrophobicContact CB-CG 4.17Å; A136-P165 HydrophobicContact CB-CB 4.12Å; A136-P165 HydrophobicContact CB-CG 4Å; A136-V168 HydrophobicContact CB-CG2 4.31Å
137M95.6Very high93Very high15 Ų1537.3 Ų37.37%0.07420%0.198CC..Hα-helixtrans-73.1-30.9177.4-169.465.5-166.200111.7L45 K105 C109 F133 Y134 T135 A140 G141 P165L45-M137 HydrophobicContact CD2-CE 3.64Å; K105-M137 HydrophobicContact CB-CE 4.19Å; K105-M137 HydrophobicContact CD-CE 3.58Å; K105-M137 HydrophobicContact CG-CE 3.54Å; C109-M137 VanDerWaalsContact SG-CB 3.56Å; C109-M137 VanDerWaalsContact SG-CG 3.53Å; F133-M137 HydrophobicContact CE1-CB 4.28Å; F133-M137 HydrophobicContact CZ-CB 4.46Å; F133-M137 WeakPolarHBondContact O-CB 3.29Å; F133-M137 PolarHBondContact O-N 3.37Å; Y134-M137 PolarHBondContact O-N 2.93Å; T135-M137 VanDerWaalsContact C-N 3.31Å; T135-M137 PolarHBondContact O-N 3.5Å; M137-A140 WeakPolarHBondContact O-CB 3.36Å; M137-A140 PolarHBondContact O-N 3.35Å; M137-A140 HydrophobicContact SD-CB 4.5Å; M137-G141 PolarHBondContact O-N 2.91Å; M137-P165 HydrophobicContact CB-CB 4.34Å; M137-P165 HydrophobicContact CB-CG 4.17Å; M137-P165 HydrophobicContact SD-CB 4.38Å; M137-P165 HydrophobicContact SD-CG 3.93Å
138T95.7Very high93Very high34 Ų3431.3 Ų31.321%0.20917%0.173CC..Hα-helixtrans-66.2-39.9171.9-58.80000111C109 Y134 T135 A136 A140 G141 L142C109-T138 VanDerWaalsContact CB-OG1 3.28Å; C109-T138 WeakPolarHBondContact CB-OG1 3.34Å; Y134-T138 WeakPolarHBondContact O-CB 3.47Å; Y134-T138 PolarHBondContact O-N 3.24Å; Y134-T138 PolarHBondContact O-OG1 2.93Å; T135-T138 WeakPolarHBondContact O-CB 3.46Å; T135-T138 PolarHBondContact O-N 3.24Å; A136-T138 VanDerWaalsContact C-N 3.34Å; T138-A140 VanDerWaalsContact C-N 3.29Å; T138-A140 PolarHBondContact O-N 3.3Å; T138-G141 PolarHBondContact O-N 3.06Å; T138-L142 HydrophobicContact CG2-CD1 4.32Å; T138-L142 HydrophobicContact CG2-CG 4.47Å; T138-L142 WeakPolarHBondContact O-CG 3.48Å; T138-L142 PolarHBondContact O-N 2.86Å
139T94.9Very high93Very high57 Ų5733.5 Ų33.535%0.3519%0.19SC..Hα-helixtrans-63.5-36.1174.660.50000111.8T135 A136 L142 L143T135-T139 PolarHBondContact O-N 2.7Å; A136-T139 PolarHBondContact O-N 3.47Å; A136-T139 PolarHBondContact O-OG1 2.87Å; T139-L142 PolarHBondContact O-N 3.39Å; T139-L143 PolarHBondContact O-N 3.33Å
140A94.2Very high92.5Very high0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-63.2-44.4170.500000113.2A136 M137 T138 L142 L143 D144 I161 Y162A136-A140 PolarHBondContact O-N 3.33Å; M137-A140 WeakPolarHBondContact O-CB 3.36Å; M137-A140 PolarHBondContact O-N 3.35Å; M137-A140 HydrophobicContact SD-CB 4.5Å; T138-A140 VanDerWaalsContact C-N 3.29Å; T138-A140 PolarHBondContact O-N 3.3Å; A140-L142 VanDerWaalsContact C-N 3.35Å; A140-L142 PolarHBondContact O-N 3.17Å; A140-L143 PolarHBondContact O-N 2.79Å; A140-D144 PolarHBondContact O-N 3.5Å; A140-D144 VanDerWaalsContact O-N 3.12Å; A140-I161 HydrophobicContact CB-CG2 3.94Å; A140-Y162 HydrophobicContact CB-CD1 3.93Å; A140-Y162 HydrophobicContact CB-CE1 4.35Å
141G93.7Very high92Very high0 Ų043.8 Ų43.80%024%0.242CC..Hα-helixtrans-63.9-37175.200000113.5M137 T138 D144 I145M137-G141 PolarHBondContact O-N 2.91Å; T138-G141 PolarHBondContact O-N 3.06Å; G141-D144 WeakPolarHBondContact O-CB 3.13Å; G141-D144 PolarHBondContact O-N 3.46Å; G141-I145 WeakPolarHBondContact O-CG1 3.33Å; G141-I145 PolarHBondContact O-N 3.16Å
142L94.4Very high91.5Very high96 Ų9645.7 Ų45.750%0.50327%0.268SS..Hα-helixtrans-66-39.4174.3-73.3171.9000111.9I106 T138 T139 A140 D144 I145 L146I106-L142 HydrophobicContact CD1-CD2 3.8Å; I106-L142 HydrophobicContact CD1-CG 4.14Å; T138-L142 HydrophobicContact CG2-CD1 4.32Å; T138-L142 HydrophobicContact CG2-CG 4.47Å; T138-L142 WeakPolarHBondContact O-CG 3.48Å; T138-L142 PolarHBondContact O-N 2.86Å; T139-L142 PolarHBondContact O-N 3.39Å; A140-L142 VanDerWaalsContact C-N 3.35Å; A140-L142 PolarHBondContact O-N 3.17Å; L142-D144 VanDerWaalsContact C-N 3.31Å; L142-D144 PolarHBondContact O-N 2.91Å; L142-I145 PolarHBondContact O-N 2.7Å; L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 PolarHBondContact O-N 3.09Å
143L93Very high90.8Very high11 Ų1144.2 Ų44.26%0.05826%0.258CS..Hα-helixtrans-61.6-40.7175.1-17372.4000111.4T139 A140 I145 L146 M147 L157 D158 I161T139-L143 PolarHBondContact O-N 3.33Å; A140-L143 PolarHBondContact O-N 2.79Å; L143-I145 VanDerWaalsContact C-N 3.33Å; L143-I145 PolarHBondContact O-N 3.24Å; L143-L146 PolarHBondContact O-N 3.47Å; L143-M147 HydrophobicContact CD1-CG 4.49Å; L143-M147 HydrophobicContact CD2-CE 4.1Å; L143-M147 HydrophobicContact CG-CE 4.01Å; L143-M147 HydrophobicContact CG-CG 4.24Å; L143-M147 HydrophobicContact CG-SD 4.42Å; L143-M147 WeakPolarHBondContact O-CB 3.35Å; L143-M147 VanDerWaalsContact O-CG 3.29Å; L143-M147 WeakPolarHBondContact O-CG 3.33Å; L143-M147 PolarHBondContact O-N 3.02Å; L143-L157 HydrophobicContact CD1-CD2 3.93Å; L143-L157 HydrophobicContact CD2-CD2 4.26Å; L143-D158 HydrophobicContact CD2-CB 4.2Å; L143-I161 HydrophobicContact CB-CG2 4.32Å; L143-I161 HydrophobicContact CD1-CD1 4.11Å; L143-I161 HydrophobicContact CD2-CB 3.86Å; L143-I161 HydrophobicContact CD2-CD1 3.72Å; L143-I161 HydrophobicContact CD2-CG1 4.29Å; L143-I161 HydrophobicContact CD2-CG2 3.99Å; L143-I161 HydrophobicContact CG-CD1 4.34Å
144D91.8Very high90.3Very high1 Ų148 Ų481%0.00528%0.284CS..Hα-helixtrans-59.4-44.9177.1-67.6-12.1000112.3G102 K105 A140 G141 L142 M147 S148 Y162G102-D144 VanDerWaalsContact CA-CB 3.47Å; K105-D144 VanDerWaalsContact CD-OD2 3.27Å; K105-D144 WeakPolarHBondContact CD-OD2 3.31Å; K105-D144 WeakPolarHBondContact CE-OD2 3.46Å; K105-D144 IonicContact NZ-OD1 2.73Å; K105-D144 IonicContact NZ-OD2 2.72Å; K105-D144 PolarHBondContact NZ-OD2 3.02Å; A140-D144 PolarHBondContact O-N 3.5Å; A140-D144 VanDerWaalsContact O-N 3.12Å; G141-D144 WeakPolarHBondContact O-CB 3.13Å; G141-D144 PolarHBondContact O-N 3.46Å; L142-D144 VanDerWaalsContact C-N 3.31Å; L142-D144 PolarHBondContact O-N 2.91Å; D144-M147 PolarHBondContact O-N 3.33Å; D144-S148 WeakPolarHBondContact O-CB 3.43Å; D144-S148 PolarHBondContact O-N 2.77Å; D144-S148 PolarHBondContact O-OG 2.82Å; D144-Y162 WeakPolarHBondContact OD1-CE1 3.41Å; D144-Y162 PolarHBondContact OD1-OH 3.25Å
145I92.5Very high89.6Confident47 Ų4757.6 Ų57.624%0.24133%0.326CS..Hα-helixtrans-65.1-44.3176.9-64.2175.1000109.8I103 I106 G141 L142 L143 M147 S148 T149I103-I145 HydrophobicContact CG1-CD1 4.07Å; I103-I145 HydrophobicContact CG1-CG1 4.48Å; I106-I145 HydrophobicContact CD1-CD1 3.46Å; I106-I145 VanDerWaalsContact CD1-CD1 3.46Å; G141-I145 WeakPolarHBondContact O-CG1 3.33Å; G141-I145 PolarHBondContact O-N 3.16Å; L142-I145 PolarHBondContact O-N 2.7Å; L143-I145 VanDerWaalsContact C-N 3.33Å; L143-I145 PolarHBondContact O-N 3.24Å; I145-M147 PolarHBondContact O-N 3.26Å; I145-S148 WeakPolarHBondContact CA-OG 3.47Å; I145-S148 PolarHBondContact O-N 3.25Å; I145-S148 VanDerWaalsContact O-N 3.16Å; I145-S148 PolarHBondContact O-OG 3.27Å; I145-T149 HydrophobicContact CG2-CG2 4.46Å; I145-T149 WeakPolarHBondContact O-CB 3.21Å; I145-T149 WeakPolarHBondContact O-CG2 3.29Å; I145-T149 PolarHBondContact O-N 3.16Å; I145-T149 VanDerWaalsContact O-N 3.13Å; I145-T149 PolarHBondContact O-OG1 3.45Å
146L91.5Very high89.1Confident63 Ų6354.1 Ų54.133%0.3331%0.307SS..Hα-helixtrans-64.2-41.1179.7-175.360.7000112.3L142 L143 S148 T149 I150 M151L142-L146 WeakPolarHBondContact O-CB 3.22Å; L142-L146 PolarHBondContact O-N 3.09Å; L143-L146 PolarHBondContact O-N 3.47Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.49Å; L146-T149 WeakPolarHBondContact CA-OG1 3.47Å; L146-T149 PolarHBondContact O-N 3.41Å; L146-T149 PolarHBondContact O-OG1 3.43Å; L146-I150 HydrophobicContact CD1-CB 4.49Å; L146-I150 PolarHBondContact O-N 2.88Å; L146-M151 HydrophobicContact CD1-CB 4.07Å; L146-M151 HydrophobicContact CD2-CB 4.28Å; L146-M151 HydrophobicContact CD2-CE 3.4Å; L146-M151 VanDerWaalsContact CD2-CE 3.4Å; L146-M151 HydrophobicContact CD2-SD 3.92Å; L146-M151 HydrophobicContact CG-CB 3.8Å; L146-M151 HydrophobicContact CG-CE 4.15Å; L146-M151 HydrophobicContact CG-SD 4.46Å; L146-M151 PolarHBondContact O-N 2.76Å; L146-M151 VanDerWaalsContact O-N 3.1Å
147M88.3Confident88.8Confident28 Ų2856.7 Ų56.714%0.13832%0.319CS..Hα-helixtrans-64.9-31.6173.8-75.7-164.5-69.800112.9L143 D144 I145 T149 M151 P153 D158 Y162L143-M147 HydrophobicContact CD1-CG 4.49Å; L143-M147 HydrophobicContact CD2-CE 4.1Å; L143-M147 HydrophobicContact CG-CE 4.01Å; L143-M147 HydrophobicContact CG-CG 4.24Å; L143-M147 HydrophobicContact CG-SD 4.42Å; L143-M147 WeakPolarHBondContact O-CB 3.35Å; L143-M147 VanDerWaalsContact O-CG 3.29Å; L143-M147 WeakPolarHBondContact O-CG 3.33Å; L143-M147 PolarHBondContact O-N 3.02Å; D144-M147 PolarHBondContact O-N 3.33Å; I145-M147 PolarHBondContact O-N 3.26Å; M147-T149 VanDerWaalsContact C-N 3.34Å; M147-M151 WeakPolarHBondContact CA-O 3.48Å; M147-P153 HydrophobicContact CG-CG 3.87Å; M147-P153 HydrophobicContact SD-CG 3.72Å; M147-D158 HydrophobicContact CE-CB 4.18Å; M147-D158 HydrophobicContact SD-CB 4.07Å; M147-Y162 WeakPolarHBondContact CE-OH 3.31Å
148S87.1Confident88.5Confident27 Ų2758.1 Ų58.119%0.18933%0.327CS..Hα-helixtrans-78.6-18.1177.2740000113.8D144 I145 L146D144-S148 WeakPolarHBondContact O-CB 3.43Å; D144-S148 PolarHBondContact O-N 2.77Å; D144-S148 PolarHBondContact O-OG 2.82Å; I145-S148 WeakPolarHBondContact CA-OG 3.47Å; I145-S148 PolarHBondContact O-N 3.25Å; I145-S148 VanDerWaalsContact O-N 3.16Å; I145-S148 PolarHBondContact O-OG 3.27Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.49Å
149T84.9Confident88.2Confident82 Ų8257.5 Ų57.550%0.50332%0.324SS..Hα-helixtrans-111.7-54.2-169.351.10000113.8I145 L146 M147I145-T149 HydrophobicContact CG2-CG2 4.46Å; I145-T149 WeakPolarHBondContact O-CB 3.21Å; I145-T149 WeakPolarHBondContact O-CG2 3.29Å; I145-T149 PolarHBondContact O-N 3.16Å; I145-T149 VanDerWaalsContact O-N 3.13Å; I145-T149 PolarHBondContact O-OG1 3.45Å; L146-T149 WeakPolarHBondContact CA-OG1 3.47Å; L146-T149 PolarHBondContact O-N 3.41Å; L146-T149 PolarHBondContact O-OG1 3.43Å; M147-T149 VanDerWaalsContact C-N 3.34Å
150I80.8Confident88.2Confident153 Ų15360.6 Ų60.679%0.78534%0.336SS*.THydrogen-bonded Turntrans-136.1-33.1-163.3-53.1175.3000113.5L146L146-I150 HydrophobicContact CD1-CB 4.49Å; L146-I150 PolarHBondContact O-N 2.88Å
151M80.5Confident88.2Confident81 Ų8162.4 Ų62.440%0.39935%0.346SS..  trans-122.2130-161.6-158.9174.978.200113.6L146 M147 P153L146-M151 HydrophobicContact CD1-CB 4.07Å; L146-M151 HydrophobicContact CD2-CB 4.28Å; L146-M151 HydrophobicContact CD2-CE 3.4Å; L146-M151 VanDerWaalsContact CD2-CE 3.4Å; L146-M151 HydrophobicContact CD2-SD 3.92Å; L146-M151 HydrophobicContact CG-CB 3.8Å; L146-M151 HydrophobicContact CG-CE 4.15Å; L146-M151 HydrophobicContact CG-SD 4.46Å; L146-M151 PolarHBondContact O-N 2.76Å; L146-M151 VanDerWaalsContact O-N 3.1Å; M147-M151 WeakPolarHBondContact CA-O 3.48Å; M151-P153 HydrophobicContact CE-CB 4.37Å; M151-P153 WeakPolarHBondContact O-CD 3.42Å
152A82.4Confident88.1Confident98 Ų9864.3 Ų64.381%0.8135%0.353SS*.  trans-91.9105.816200000108.5
153P81.9Confident88.2Confident28 Ų2859.8 Ų59.818%0.18233%0.329CS..PPolyproline II helixtrans-67161.7179.727.6-34.5000111.6M147 M151 L157M147-P153 HydrophobicContact CG-CG 3.87Å; M147-P153 HydrophobicContact SD-CG 3.72Å; M151-P153 HydrophobicContact CE-CB 4.37Å; M151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-L157 HydrophobicContact CB-CB 4.32Å; P153-L157 HydrophobicContact CB-CD2 3.78Å
154P85.4Confident88.3Confident89 Ų8962.9 Ų62.958%0.57835%0.346SS*.PPolyproline II helixtrans-50.5143.3167.6-23.332.6000111G156 L157P154-G156 PolarHBondContact O-N 3.13Å; P154-L157 HydrophobicContact CB-CB 4.47Å; P154-L157 HydrophobicContact CG-CD1 4.38Å; P154-L157 WeakPolarHBondContact O-CB 3.34Å; P154-L157 PolarHBondContact O-N 3.03Å; P154-L157 VanDerWaalsContact O-N 3.1Å
155K81.8Confident88.5Confident206 Ų20662.8 Ų62.890%0.89635%0.345SS*.THydrogen-bonded Turntrans-53.8126.2179.1-67.1-179.7-180177.20109.7
156G84.4Confident88.8Confident13 Ų1360.6 Ų60.613%0.13433%0.334CS..THydrogen-bonded Turntrans89.8-13.9177.500000116.2P154 D158 S159 M160 M206P154-G156 PolarHBondContact O-N 3.13Å; G156-D158 WeakPolarHBondContact CA-OD1 3.36Å; G156-D158 PolarHBondContact O-N 3.13Å; G156-S159 PolarHBondContact O-N 3.39Å; G156-M160 WeakPolarHBondContact O-CG 3.41Å; G156-M160 PolarHBondContact O-N 2.93Å; G156-M206 WeakPolarHBondContact CA-SD 3.45Å; G156-M206 VanDerWaalsContact O-SD 3.42Å
157L88.9Confident89.1Confident61 Ų6159.6 Ų59.632%0.31933%0.327SS..Hα-helixtrans-64-32.2177.1-178142000111.8L143 P153 P154 I161L143-L157 HydrophobicContact CD1-CD2 3.93Å; L143-L157 HydrophobicContact CD2-CD2 4.26Å; P153-L157 HydrophobicContact CB-CB 4.32Å; P153-L157 HydrophobicContact CB-CD2 3.78Å; P154-L157 HydrophobicContact CB-CB 4.47Å; P154-L157 HydrophobicContact CG-CD1 4.38Å; P154-L157 WeakPolarHBondContact O-CB 3.34Å; P154-L157 PolarHBondContact O-N 3.03Å; P154-L157 VanDerWaalsContact O-N 3.1Å; L157-I161 HydrophobicContact CD2-CD1 3.47Å; L157-I161 VanDerWaalsContact CD2-CD1 3.47Å; L157-I161 HydrophobicContact CD2-CG1 4.33Å; L157-I161 HydrophobicContact CG-CD1 4.13Å; L157-I161 WeakPolarHBondContact O-CB 3.35Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.27Å
158D90.1Very high89.4Confident45 Ų4560 Ų6024%0.24133%0.331CS..Hα-helixtrans-57.3-50.3171.758.6-13.1000112.4L143 M147 G156 M160 I161 Y162L143-D158 HydrophobicContact CD2-CB 4.2Å; M147-D158 HydrophobicContact CE-CB 4.18Å; M147-D158 HydrophobicContact SD-CB 4.07Å; G156-D158 WeakPolarHBondContact CA-OD1 3.36Å; G156-D158 PolarHBondContact O-N 3.13Å; D158-M160 PolarHBondContact O-N 2.66Å; D158-I161 PolarHBondContact O-N 2.88Å; D158-Y162 HydrophobicContact CB-CE2 4.23Å; D158-Y162 WeakPolarHBondContact O-CD2 3.28Å; D158-Y162 PolarHBondContact O-N 3.19Å
159S90.1Very high89.9Confident22 Ų2258.9 Ų58.915%0.15432%0.323CS..Hα-helixtrans-67.6-38.7-178.2-57.90000111.8G156 Y162 A163 M206G156-S159 PolarHBondContact O-N 3.39Å; S159-Y162 PolarHBondContact O-N 3.45Å; S159-A163 WeakPolarHBondContact O-CB 3.48Å; S159-A163 PolarHBondContact O-N 3.23Å; S159-M206 VanDerWaalsContact CB-SD 3.54Å
160M93.3Very high90.4Very high122 Ų12255.6 Ų55.660%0.60130%0.303SS*.Hα-helixtrans-62-44.5173.9-70-17673.400111.9G156 D158 A163 L164 L203G156-M160 WeakPolarHBondContact O-CG 3.41Å; G156-M160 PolarHBondContact O-N 2.93Å; D158-M160 PolarHBondContact O-N 2.66Å; M160-A163 PolarHBondContact O-N 2.87Å; M160-L164 PolarHBondContact O-N 2.87Å; M160-L203 HydrophobicContact CG-CD2 4.21Å
161I94.4Very high91.1Very high38 Ų3856.1 Ų56.120%0.19530%0.296CS..Hα-helixtrans-68.1-36.3179.2-70.8179.6000111.2A140 L143 L157 D158 A163 L164 P165A140-I161 HydrophobicContact CB-CG2 3.94Å; L143-I161 HydrophobicContact CB-CG2 4.32Å; L143-I161 HydrophobicContact CD1-CD1 4.11Å; L143-I161 HydrophobicContact CD2-CB 3.86Å; L143-I161 HydrophobicContact CD2-CD1 3.72Å; L143-I161 HydrophobicContact CD2-CG1 4.29Å; L143-I161 HydrophobicContact CD2-CG2 3.99Å; L143-I161 HydrophobicContact CG-CD1 4.34Å; L157-I161 HydrophobicContact CD2-CD1 3.47Å; L157-I161 VanDerWaalsContact CD2-CD1 3.47Å; L157-I161 HydrophobicContact CD2-CG1 4.33Å; L157-I161 HydrophobicContact CG-CD1 4.13Å; L157-I161 WeakPolarHBondContact O-CB 3.35Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 3.27Å; D158-I161 PolarHBondContact O-N 2.88Å; I161-A163 VanDerWaalsContact C-N 3.34Å; I161-L164 WeakPolarHBondContact O-CB 3.46Å; I161-L164 PolarHBondContact O-N 3.46Å; I161-P165 VanDerWaalsContact O-CD 3.28Å; I161-P165 WeakPolarHBondContact O-CD 3.33Å
162Y93Very high91.8Very high39 Ų3953.9 Ų53.915%0.15329%0.288CS..Hα-helixtrans-69.7-28.6173.3-65.4-49.8000114.1K105 A140 D144 M147 D158 S159 P165K105-Y162 VanDerWaalsContact NZ-CE1 3.26Å; A140-Y162 HydrophobicContact CB-CD1 3.93Å; A140-Y162 HydrophobicContact CB-CE1 4.35Å; D144-Y162 WeakPolarHBondContact OD1-CE1 3.41Å; D144-Y162 PolarHBondContact OD1-OH 3.25Å; M147-Y162 WeakPolarHBondContact CE-OH 3.31Å; D158-Y162 HydrophobicContact CB-CE2 4.23Å; D158-Y162 WeakPolarHBondContact O-CD2 3.28Å; D158-Y162 PolarHBondContact O-N 3.19Å; S159-Y162 PolarHBondContact O-N 3.45Å; Y162-P165 WeakPolarHBondContact O-CD 3.46Å
163A95.6Very high92.4Very high1 Ų149.7 Ų49.71%0.00825%0.252CS..Hα-helixtrans-78.5-26.5176.700000112.4S159 M160 I161 F166 F167 I202 L203S159-A163 WeakPolarHBondContact O-CB 3.48Å; S159-A163 PolarHBondContact O-N 3.23Å; M160-A163 PolarHBondContact O-N 2.87Å; I161-A163 VanDerWaalsContact C-N 3.34Å; A163-F166 PolarHBondContact O-N 2.96Å; A163-F166 VanDerWaalsContact O-N 3.15Å; A163-F167 HydrophobicContact CB-CD2 4.05Å; A163-F167 HydrophobicContact CB-CE2 3.64Å; A163-F167 WeakPolarHBondContact O-CD2 3.36Å; A163-F167 PolarHBondContact O-N 3.15Å; A163-I202 HydrophobicContact CB-CB 4.23Å; A163-I202 HydrophobicContact CB-CG2 4.13Å; A163-L203 HydrophobicContact CB-CD2 4.03Å; A163-L203 HydrophobicContact CB-CG 4.06Å
164L96.1Very high93Very high76 Ų7652.5 Ų52.540%0.39826%0.259SS..Hα-helixtrans-52.8-47.2-175.9-178.467.5000114.4A136 M160 I161 F166 F167 V168A136-L164 HydrophobicContact CB-CD2 4.31Å; A136-L164 HydrophobicContact CB-CG 4.17Å; M160-L164 PolarHBondContact O-N 2.87Å; I161-L164 WeakPolarHBondContact O-CB 3.46Å; I161-L164 PolarHBondContact O-N 3.46Å; L164-F166 VanDerWaalsContact C-N 3.26Å; L164-F166 PolarHBondContact O-N 3.49Å; L164-F167 PolarHBondContact O-N 3.44Å; L164-V168 HydrophobicContact CD1-CG2 4.05Å; L164-V168 HydrophobicContact CG-CG2 4.24Å; L164-V168 WeakPolarHBondContact O-CG2 3.43Å; L164-V168 PolarHBondContact O-N 3.47Å
165P96.4Very high93.4Very high0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-56.5-40.2178.8-22.831.1000112.9F133 A136 M137 I161 Y162 V168 Q169F133-P165 HydrophobicContact CD2-CB 3.82Å; F133-P165 WeakPolarHBondContact CD2-O 3.26Å; F133-P165 HydrophobicContact CE2-CB 3.62Å; F133-P165 HydrophobicContact CZ-CB 4.35Å; A136-P165 HydrophobicContact CB-CB 4.12Å; A136-P165 HydrophobicContact CB-CG 4Å; M137-P165 HydrophobicContact CB-CB 4.34Å; M137-P165 HydrophobicContact CB-CG 4.17Å; M137-P165 HydrophobicContact SD-CB 4.38Å; M137-P165 HydrophobicContact SD-CG 3.93Å; I161-P165 VanDerWaalsContact O-CD 3.28Å; I161-P165 WeakPolarHBondContact O-CD 3.33Å; Y162-P165 WeakPolarHBondContact O-CD 3.46Å; P165-V168 PolarHBondContact O-N 3.32Å; P165-Q169 VanDerWaalsContact O-CB 3.25Å; P165-Q169 WeakPolarHBondContact O-CB 3.24Å; P165-Q169 PolarHBondContact O-N 3.43Å
166F97.3Very high93.8Very high1 Ų142.2 Ų42.20%0.00422%0.217CC..Hα-helixtrans-72.9-36-178.7-59.5-74.9000112.1L42 A163 L164 Q169 T170 A195 V198 I202 V236 H239L42-F166 HydrophobicContact CD2-CE1 3.79Å; L42-F166 HydrophobicContact CD2-CZ 3.94Å; A163-F166 PolarHBondContact O-N 2.96Å; A163-F166 VanDerWaalsContact O-N 3.15Å; L164-F166 VanDerWaalsContact C-N 3.26Å; L164-F166 PolarHBondContact O-N 3.49Å; F166-Q169 PolarHBondContact O-N 3.14Å; F166-T170 PolarHBondContact O-N 3.31Å; F166-T170 PolarHBondContact O-OG1 3.39Å; F166-A195 WeakPolarHBondContact CB-O 3.38Å; F166-A195 WeakPolarHBondContact O-CB 3.36Å; F166-V198 HydrophobicContact CB-CB 4.34Å; F166-V198 HydrophobicContact CB-CG1 4.32Å; F166-V198 HydrophobicContact CD1-CB 3.95Å; F166-V198 HydrophobicContact CD1-CG1 3.49Å; F166-V198 VanDerWaalsContact CD1-CG1 3.49Å; F166-V198 HydrophobicContact CD2-CG1 3.76Å; F166-V198 HydrophobicContact CE1-CB 4.44Å; F166-V198 HydrophobicContact CE1-CG1 3.6Å; F166-V198 HydrophobicContact CE2-CG1 3.85Å; F166-V198 HydrophobicContact CG-CB 4.07Å; F166-V198 HydrophobicContact CG-CG1 3.57Å; F166-V198 HydrophobicContact CZ-CG1 3.77Å; F166-I202 HydrophobicContact CD2-CD1 3.68Å; F166-I202 HydrophobicContact CE2-CD1 3.6Å; F166-V236 HydrophobicContact CZ-CG2 4.4Å; F166-H239 AromaticContact CD1-CD2 3.93Å; F166-H239 AromaticContact CE1-CD2 3.87Å
167F97.4Very high94.1Very high42 Ų4241.7 Ų41.718%0.18421%0.211CC..Hα-helixtrans-67.7-44.8172-69-54000112A163 L164 Q169 T170 Y171 F196 L203A163-F167 HydrophobicContact CB-CD2 4.05Å; A163-F167 HydrophobicContact CB-CE2 3.64Å; A163-F167 WeakPolarHBondContact O-CD2 3.36Å; A163-F167 PolarHBondContact O-N 3.15Å; L164-F167 PolarHBondContact O-N 3.44Å; F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 2.93Å; F167-T170 VanDerWaalsContact O-CB 3.25Å; F167-T170 WeakPolarHBondContact O-CB 3.28Å; F167-T170 PolarHBondContact O-N 2.92Å; F167-T170 VanDerWaalsContact O-N 3.13Å; F167-Y171 WeakPolarHBondContact O-CD2 3.24Å; F167-Y171 PolarHBondContact O-N 2.88Å; F167-Y171 VanDerWaalsContact O-N 3.16Å; F167-F196 HydrophobicContact CD1-CD2 4.03Å; F167-F196 HydrophobicContact CD1-CE2 4.31Å; F167-F196 AromaticContact CE1-CD2 3.91Å; F167-F196 HydrophobicContact CE1-CD2 3.91Å; F167-F196 AromaticContact CE1-CE2 3.95Å; F167-F196 HydrophobicContact CE1-CE2 3.95Å; F167-L203 HydrophobicContact CE2-CD1 3.74Å; F167-L203 HydrophobicContact CE2-CG 4.31Å; F167-L203 HydrophobicContact CZ-CD1 3.77Å; F167-L203 HydrophobicContact CZ-CG 4.48Å
168V96.6Very high94.2Very high37 Ų3745.5 Ų45.522%0.22422%0.222CC..Hα-helixtrans-56.7-46.71741700000110.2P132 A136 L164 P165 T170 Y171 C172P132-V168 HydrophobicContact CB-CG1 3.46Å; P132-V168 VanDerWaalsContact CB-CG1 3.46Å; A136-V168 HydrophobicContact CB-CG2 4.31Å; L164-V168 HydrophobicContact CD1-CG2 4.05Å; L164-V168 HydrophobicContact CG-CG2 4.24Å; L164-V168 WeakPolarHBondContact O-CG2 3.43Å; L164-V168 PolarHBondContact O-N 3.47Å; P165-V168 PolarHBondContact O-N 3.32Å; V168-T170 VanDerWaalsContact C-N 3.32Å; V168-T170 PolarHBondContact O-N 3.5Å; V168-Y171 PolarHBondContact O-N 3.49Å; V168-C172 WeakPolarHBondContact O-CB 3.3Å; V168-C172 PolarHBondContact O-N 3.31Å; V168-C172 PolarHBondContact O-SG 3.43Å
169Q95.7Very high93.8Very high2 Ų252.8 Ų52.81%0.00925%0.254CS..Hα-helixtrans-61.8-38.2177.2-166.7177.714.400112.8F133 P165 F166 F167 Y171 C172 L173 A195 H239F133-Q169 HydrophobicContact CD2-CB 3.99Å; F133-Q169 HydrophobicContact CD2-CG 4.35Å; P165-Q169 VanDerWaalsContact O-CB 3.25Å; P165-Q169 WeakPolarHBondContact O-CB 3.24Å; P165-Q169 PolarHBondContact O-N 3.43Å; F166-Q169 PolarHBondContact O-N 3.14Å; F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 2.93Å; Q169-Y171 PolarHBondContact O-N 2.95Å; Q169-C172 PolarHBondContact O-N 3.39Å; Q169-L173 HydrophobicContact CG-CD1 3.61Å; Q169-L173 HydrophobicContact CG-CG 4.13Å; Q169-L173 VanDerWaalsContact O-CB 3.32Å; Q169-L173 WeakPolarHBondContact O-CB 3.17Å; Q169-L173 WeakPolarHBondContact O-CG 3.31Å; Q169-L173 PolarHBondContact O-N 2.92Å; Q169-A195 HydrophobicContact CB-CB 4.48Å; Q169-H239 PolarHBondContact OE1-NE2 2.95Å
170T96.9Very high93.6Very high13 Ų1353.3 Ų53.38%0.0825%0.254CS..Hα-helixtrans-54.6-54.3174.3-58.90000110.4F166 F167 V168 R174 S192 A195 F196F166-T170 PolarHBondContact O-N 3.31Å; F166-T170 PolarHBondContact O-OG1 3.39Å; F167-T170 VanDerWaalsContact O-CB 3.25Å; F167-T170 WeakPolarHBondContact O-CB 3.28Å; F167-T170 PolarHBondContact O-N 2.92Å; F167-T170 VanDerWaalsContact O-N 3.13Å; V168-T170 VanDerWaalsContact C-N 3.32Å; V168-T170 PolarHBondContact O-N 3.5Å; T170-R174 VanDerWaalsContact O-CB 3.31Å; T170-R174 WeakPolarHBondContact O-CB 3.35Å; T170-R174 PolarHBondContact O-N 3.42Å; T170-S192 PolarHBondContact O-OG 2.94Å; T170-S192 PolarHBondContact OG1-O 2.9Å; T170-A195 WeakPolarHBondContact OG1-CB 3.26Å; T170-F196 HydrophobicContact CG2-CB 3.86Å; T170-F196 HydrophobicContact CG2-CD2 4.24Å; T170-F196 WeakPolarHBondContact OG1-CA 3.33Å; T170-F196 PolarHBondContact OG1-N 3.48Å
171Y95.6Very high93.2Very high165 Ų16549.2 Ų49.265%0.64724%0.237SC*.Hα-helixtrans-67.7-43.5-177.2-67.2-67.4000112.1F167 V168 Q169 R174 A175F167-Y171 WeakPolarHBondContact O-CD2 3.24Å; F167-Y171 PolarHBondContact O-N 2.88Å; F167-Y171 VanDerWaalsContact O-N 3.16Å; V168-Y171 PolarHBondContact O-N 3.49Å; Q169-Y171 PolarHBondContact O-N 2.95Å; Y171-R174 PolarHBondContact O-N 3.3Å; Y171-A175 WeakPolarHBondContact O-CB 3.4Å; Y171-A175 PolarHBondContact O-N 3.27Å
172C94.8Very high92.9Very high34 Ų3452.3 Ų52.323%0.2325%0.25CS..Hα-helixtrans-60.9-49.3178.1-69.80000111.6V168 Q169 R174 A175 Q176V168-C172 WeakPolarHBondContact O-CB 3.3Å; V168-C172 PolarHBondContact O-N 3.31Å; V168-C172 PolarHBondContact O-SG 3.43Å; Q169-C172 PolarHBondContact O-N 3.39Å; C172-R174 VanDerWaalsContact C-N 3.33Å; C172-R174 PolarHBondContact O-N 3.47Å; C172-A175 PolarHBondContact O-N 3.14Å; C172-Q176 VanDerWaalsContact O-CB 3.31Å; C172-Q176 WeakPolarHBondContact O-CB 3.37Å; C172-Q176 WeakPolarHBondContact O-CG 3.47Å; C172-Q176 PolarHBondContact O-N 3.26Å
173L94.2Very high92.8Very high10 Ų1050.5 Ų50.55%0.05224%0.244CC..Hα-helixtrans-69.3-31.4-178.8-70.6172.5000113Q169 Q176 S177 I191Q169-L173 HydrophobicContact CG-CD1 3.61Å; Q169-L173 HydrophobicContact CG-CG 4.13Å; Q169-L173 VanDerWaalsContact O-CB 3.32Å; Q169-L173 WeakPolarHBondContact O-CB 3.17Å; Q169-L173 WeakPolarHBondContact O-CG 3.31Å; Q169-L173 PolarHBondContact O-N 2.92Å; L173-Q176 PolarHBondContact O-N 3.01Å; L173-S177 PolarHBondContact O-N 2.95Å; L173-I191 HydrophobicContact CD1-CB 3.77Å; L173-I191 HydrophobicContact CD1-CG2 3.2Å
174R94.8Very high92.5Very high86 Ų8650.5 Ų50.533%0.32524%0.243SC..Hα-helixtrans-66.6-40.6172.2179.159.5-177-157.91.5111.6T170 Y171 C172 S177 L189 Y193T170-R174 VanDerWaalsContact O-CB 3.31Å; T170-R174 WeakPolarHBondContact O-CB 3.35Å; T170-R174 PolarHBondContact O-N 3.42Å; Y171-R174 PolarHBondContact O-N 3.3Å; C172-R174 VanDerWaalsContact C-N 3.33Å; C172-R174 PolarHBondContact O-N 3.47Å; R174-S177 PolarHBondContact O-N 2.94Å; R174-S177 PolarHBondContact O-OG 3.39Å; R174-L189 VanDerWaalsContact CD-CD2 3.5Å; R174-Y193 PolarHBondContact NH1-OH 3.49Å
175A93.4Very high92.3Very high60 Ų6049.8 Ų49.850%0.49624%0.238SC..Hα-helixtrans-67.3-41174.600000111.1Y171 C172 S177 Y178Y171-A175 WeakPolarHBondContact O-CB 3.4Å; Y171-A175 PolarHBondContact O-N 3.27Å; C172-A175 PolarHBondContact O-N 3.14Å; A175-S177 PolarHBondContact O-N 3.33Å; A175-Y178 VanDerWaalsContact O-CD2 3.28Å; A175-Y178 WeakPolarHBondContact O-CD2 3.26Å; A175-Y178 PolarHBondContact O-N 2.87Å
176Q91.2Very high92.1Very high20 Ų2051 Ų519%0.09325%0.246CC..THydrogen-bonded Turntrans-71.3-10178.9-72.3170.6-400113.8E127 Y128 C172 L173 Q180 R188E127-Q176 PolarHBondContact O-NE2 3.31Å; Y128-Q176 HydrophobicContact CD1-CB 4.02Å; Y128-Q176 HydrophobicContact CD1-CG 3.85Å; Y128-Q176 HydrophobicContact CE1-CB 4.25Å; Y128-Q176 HydrophobicContact CE1-CG 4.34Å; C172-Q176 VanDerWaalsContact O-CB 3.31Å; C172-Q176 WeakPolarHBondContact O-CB 3.37Å; C172-Q176 WeakPolarHBondContact O-CG 3.47Å; C172-Q176 PolarHBondContact O-N 3.26Å; L173-Q176 PolarHBondContact O-N 3.01Å; Q176-Q180 VanDerWaalsContact O-CG 3.27Å; Q176-Q180 WeakPolarHBondContact O-CG 3.32Å; Q176-R188 WeakPolarHBondContact O-CD 3.46Å; Q176-R188 PolarHBondContact O-NH1 2.96Å
177S91.3Very high91.9Very high2 Ų251 Ų511%0.01425%0.245CC..THydrogen-bonded Turntrans-82.2-19.1176.672.90000112.7L173 R174 A175 Q179 L189L173-S177 PolarHBondContact O-N 2.95Å; R174-S177 PolarHBondContact O-N 2.94Å; R174-S177 PolarHBondContact O-OG 3.39Å; A175-S177 PolarHBondContact O-N 3.33Å; S177-Q179 PolarHBondContact O-N 2.92Å; S177-L189 VanDerWaalsContact OG-CD2 3.25Å; S177-L189 WeakPolarHBondContact OG-CD2 3.21Å
178Y89.3Confident91.7Very high141 Ų14149.7 Ų49.755%0.55324%0.239SC*.THydrogen-bonded Turntrans-63.3136.8-179.2-69.8-65.5000111.3A175 Q180A175-Y178 VanDerWaalsContact O-CD2 3.28Å; A175-Y178 WeakPolarHBondContact O-CD2 3.26Å; A175-Y178 PolarHBondContact O-N 2.87Å; Y178-Q180 PolarHBondContact O-N 3.15Å; Y178-Q180 VanDerWaalsContact O-N 3.14Å
179Q82.9Confident91.6Very high197 Ų19749.2 Ų49.292%0.92124%0.235SC*.THydrogen-bonded Turntrans58.222.9176.1-58.2-179.4-10.600115.2S177S177-Q179 PolarHBondContact O-N 2.92Å
180Q84.9Confident91.6Very high33 Ų3350.6 Ų50.615%0.15424%0.243CC..  trans-88.2159.6171.5-60.7-57-64.500111.1Y128 Q176 Y178 T184 E185Y128-Q180 PolarHBondContact OH-NE2 3.2Å; Q176-Q180 VanDerWaalsContact O-CG 3.27Å; Q176-Q180 WeakPolarHBondContact O-CG 3.32Å; Y178-Q180 PolarHBondContact O-N 3.15Å; Y178-Q180 VanDerWaalsContact O-N 3.14Å; Q180-T184 HydrophobicContact CB-CG2 3.95Å; Q180-T184 HydrophobicContact CG-CG2 4.14Å; Q180-E185 HydrophobicContact CB-CB 4.24Å
181P86.3Confident91.6Very high36 Ų3650.5 Ų50.523%0.23424%0.241CC..  trans-58.7152.1169.3-22.934.4000111.8I183 T184 E185 E260P181-I183 VanDerWaalsContact C-N 3.28Å; P181-I183 PolarHBondContact O-N 2.9Å; P181-I183 VanDerWaalsContact O-N 3.08Å; P181-T184 PolarHBondContact O-N 3.3Å; P181-E185 PolarHBondContact O-N 3.14Å; P181-E260 HydrophobicContact CB-CB 3.42Å; P181-E260 VanDerWaalsContact CB-CB 3.42Å; P181-E260 HydrophobicContact CB-CG 4.24Å; P181-E260 WeakPolarHBondContact CB-OE2 3.36Å; P181-E260 HydrophobicContact CG-CB 4.3Å; P181-E260 VanDerWaalsContact CG-OE2 3.25Å; P181-E260 WeakPolarHBondContact CG-OE2 3.31Å
182H88.2Confident91.6Very high103 Ų10342.7 Ų42.748%0.47721%0.211SC..Hα-helixtrans-54.7-37.6-166.2-67-60.1000114.7T186 E260 V266H182-T186 WeakPolarHBondContact O-CB 3.39Å; H182-T186 PolarHBondContact O-N 3.42Å; H182-T186 PolarHBondContact O-OG1 3.01Å; H182-E260 PolarHBondContact N-O 3.11Å; H182-V266 HydrophobicContact CB-CG2 3.78Å
183I89.3Confident91.7Very high2 Ų247.2 Ų47.21%0.0122%0.224CC..Hα-helixtrans-70.6-47.9177.9-57.5-178.5000111P181 E185 T186 C187 L250 W258 N259 K265 V266P181-I183 VanDerWaalsContact C-N 3.28Å; P181-I183 PolarHBondContact O-N 2.9Å; P181-I183 VanDerWaalsContact O-N 3.08Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-E185 PolarHBondContact O-N 3.44Å; I183-T186 PolarHBondContact O-N 2.91Å; I183-C187 PolarHBondContact O-N 3.43Å; I183-C187 PolarHBondContact O-SG 3.27Å; I183-C187 VanDerWaalsContact O-SG 3.39Å; I183-L250 HydrophobicContact CG2-CD2 4.05Å; I183-W258 HydrophobicContact CD1-CB 3.96Å; I183-W258 HydrophobicContact CD1-CE3 4.12Å; I183-N259 WeakPolarHBondContact CD1-O 3.39Å; I183-K265 HydrophobicContact CD1-CB 3.45Å; I183-K265 VanDerWaalsContact CD1-CB 3.45Å; I183-K265 HydrophobicContact CD1-CG 4.27Å; I183-K265 HydrophobicContact CG1-CB 4.26Å; I183-V266 HydrophobicContact CG1-CG2 3.87Å
184T89.9Confident91.9Very high0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-61.5-43.4178.6-65.20000111.3Q180 P181 C187 R188 L250 E260Q180-T184 HydrophobicContact CB-CG2 3.95Å; Q180-T184 HydrophobicContact CG-CG2 4.14Å; P181-T184 PolarHBondContact O-N 3.3Å; T184-C187 PolarHBondContact O-N 3.25Å; T184-R188 WeakPolarHBondContact O-CB 3.31Å; T184-R188 WeakPolarHBondContact O-CG 3.48Å; T184-R188 PolarHBondContact O-N 2.86Å; T184-L250 HydrophobicContact CG2-CD1 4.37Å; T184-L250 WeakPolarHBondContact OG1-CD2 3.29Å; T184-E260 PolarHBondContact OG1-OE2 3.48Å
185E91.5Very high92Very high62 Ų6243.8 Ų43.829%0.2921%0.211SC..Hα-helixtrans-56.3-53.2172.8179179.3-163.400110.7Q180 P181 I183 C187 R188 L189Q180-E185 HydrophobicContact CB-CB 4.24Å; P181-E185 PolarHBondContact O-N 3.14Å; I183-E185 VanDerWaalsContact C-N 3.34Å; I183-E185 PolarHBondContact O-N 3.44Å; E185-C187 PolarHBondContact O-N 2.89Å; E185-R188 PolarHBondContact O-N 3.47Å; E185-L189 HydrophobicContact CG-CD1 3.98Å; E185-L189 HydrophobicContact CG-CG 4.39Å; E185-L189 WeakPolarHBondContact O-CB 3.32Å; E185-L189 VanDerWaalsContact O-CG 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.25Å; E185-L189 PolarHBondContact O-N 2.78Å
186T93Very high92.2Very high26 Ų2645.6 Ų45.616%0.1621%0.208CC..Hα-helixtrans-58.7-47.1-178.7-60.70000111.7H182 I183 R188 L189 L190 V266 T270H182-T186 WeakPolarHBondContact O-CB 3.39Å; H182-T186 PolarHBondContact O-N 3.42Å; H182-T186 PolarHBondContact O-OG1 3.01Å; I183-T186 PolarHBondContact O-N 2.91Å; T186-R188 PolarHBondContact O-N 3.36Å; T186-L189 PolarHBondContact O-N 2.96Å; T186-L190 HydrophobicContact CG2-CD1 4.04Å; T186-L190 HydrophobicContact CG2-CG 4.43Å; T186-L190 WeakPolarHBondContact O-CB 3.5Å; T186-L190 VanDerWaalsContact O-CG 3.3Å; T186-L190 WeakPolarHBondContact O-CG 3.39Å; T186-L190 PolarHBondContact O-N 3.23Å; T186-V266 HydrophobicContact CG2-CG1 4.15Å; T186-V266 WeakPolarHBondContact OG1-CG1 3.23Å; T186-T270 HydrophobicContact CG2-CG2 4.26Å
187C93.3Very high92.5Very high0 Ų048.3 Ų48.30%022%0.222CC..Hα-helixtrans-60-46.4178.3-74.40000112.2I183 T184 E185 L190 I191 T246 L250I183-C187 PolarHBondContact O-N 3.43Å; I183-C187 PolarHBondContact O-SG 3.27Å; I183-C187 VanDerWaalsContact O-SG 3.39Å; T184-C187 PolarHBondContact O-N 3.25Å; E185-C187 PolarHBondContact O-N 2.89Å; C187-L190 PolarHBondContact O-N 2.9Å; C187-I191 VanDerWaalsContact O-CG1 3.27Å; C187-I191 WeakPolarHBondContact O-CG1 3.46Å; C187-I191 PolarHBondContact O-N 3.47Å; C187-T246 HydrophobicContact CB-CG2 3.6Å; C187-L250 HydrophobicContact CB-CD1 4.39Å
188R93.2Very high92.8Very high14 Ų1448.2 Ų48.25%0.05322%0.221CC..Hα-helixtrans-66-38.3179.2-71.1178.7-175-164.4-0.2112.1Q176 T184 E185 T186 I191 S192Q176-R188 WeakPolarHBondContact O-CD 3.46Å; Q176-R188 PolarHBondContact O-NH1 2.96Å; T184-R188 WeakPolarHBondContact O-CB 3.31Å; T184-R188 WeakPolarHBondContact O-CG 3.48Å; T184-R188 PolarHBondContact O-N 2.86Å; E185-R188 PolarHBondContact O-N 3.47Å; T186-R188 PolarHBondContact O-N 3.36Å; R188-I191 PolarHBondContact O-N 3.41Å; R188-S192 VanDerWaalsContact O-CB 3.26Å; R188-S192 WeakPolarHBondContact O-CB 3.44Å; R188-S192 PolarHBondContact O-N 3.44Å
189L94.6Very high93.1Very high28 Ų2841.5 Ų41.515%0.14720%0.195CC..Hα-helixtrans-64.3-43.9174.2-73.3-177.7000112.3R174 S177 E185 T186 S192 Y193R174-L189 VanDerWaalsContact CD-CD2 3.5Å; S177-L189 VanDerWaalsContact OG-CD2 3.25Å; S177-L189 WeakPolarHBondContact OG-CD2 3.21Å; E185-L189 HydrophobicContact CG-CD1 3.98Å; E185-L189 HydrophobicContact CG-CG 4.39Å; E185-L189 WeakPolarHBondContact O-CB 3.32Å; E185-L189 VanDerWaalsContact O-CG 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.25Å; E185-L189 PolarHBondContact O-N 2.78Å; T186-L189 PolarHBondContact O-N 2.96Å; L189-S192 PolarHBondContact O-N 2.7Å; L189-Y193 HydrophobicContact CB-CE2 4.25Å; L189-Y193 WeakPolarHBondContact O-CD2 3.48Å; L189-Y193 PolarHBondContact O-N 3.27Å
190L95.8Very high93.8Very high31 Ų3133.6 Ų33.616%0.16216%0.161CC..Hα-helixtrans-61-46.1175.7-72.8172.2000111.5T186 C187 S192 W194 W242 T269 F273T186-L190 HydrophobicContact CG2-CD1 4.04Å; T186-L190 HydrophobicContact CG2-CG 4.43Å; T186-L190 WeakPolarHBondContact O-CB 3.5Å; T186-L190 VanDerWaalsContact O-CG 3.3Å; T186-L190 WeakPolarHBondContact O-CG 3.39Å; T186-L190 PolarHBondContact O-N 3.23Å; C187-L190 PolarHBondContact O-N 2.9Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 2.89Å; L190-W194 VanDerWaalsContact O-CB 3.3Å; L190-W194 WeakPolarHBondContact O-CB 3.25Å; L190-W194 PolarHBondContact O-N 2.84Å; L190-W242 HydrophobicContact CD1-CZ2 3.98Å; L190-T269 HydrophobicContact CD1-CG2 4.36Å; L190-F273 HydrophobicContact CB-CD2 4.29Å; L190-F273 HydrophobicContact CB-CE2 4.02Å; L190-F273 HydrophobicContact CB-CZ 4.46Å; L190-F273 HydrophobicContact CD1-CB 4.2Å; L190-F273 HydrophobicContact CD1-CD2 4.04Å; L190-F273 HydrophobicContact CD1-CG 4.07Å; L190-F273 HydrophobicContact CD2-CD1 4.07Å; L190-F273 HydrophobicContact CD2-CD2 4.41Å; L190-F273 HydrophobicContact CD2-CE1 4.04Å; L190-F273 HydrophobicContact CD2-CE2 4.35Å; L190-F273 HydrophobicContact CD2-CG 4.26Å; L190-F273 HydrophobicContact CD2-CZ 4.17Å; L190-F273 HydrophobicContact CG-CD2 4.49Å
191I96.2Very high94.2Very high10 Ų1032.3 Ų32.35%0.05116%0.156CC..Hα-helixtrans-63.5-41.6176.2-60.5162.2000110.5L173 C187 R188 W194 A195 H239 W242 I243 T246L173-I191 HydrophobicContact CD1-CB 3.77Å; L173-I191 HydrophobicContact CD1-CG2 3.2Å; C187-I191 VanDerWaalsContact O-CG1 3.27Å; C187-I191 WeakPolarHBondContact O-CG1 3.46Å; C187-I191 PolarHBondContact O-N 3.47Å; R188-I191 PolarHBondContact O-N 3.41Å; I191-W194 PolarHBondContact O-N 3.43Å; I191-A195 WeakPolarHBondContact O-CB 3.31Å; I191-A195 PolarHBondContact O-N 2.99Å; I191-H239 VanDerWaalsContact CG2-CE1 3.46Å; I191-H239 WeakPolarHBondContact CG2-CE1 3.37Å; I191-H239 PolarHBondContact O-CE1 3.04Å; I191-W242 VanDerWaalsContact CG1-CD1 3.49Å; I191-I243 HydrophobicContact CD1-CG1 4.27Å; I191-I243 HydrophobicContact CG1-CG1 4.32Å; I191-I243 HydrophobicContact CG2-CD1 4.17Å; I191-I243 HydrophobicContact CG2-CG1 3.8Å; I191-T246 HydrophobicContact CD1-CG2 3.87Å
192S96.6Very high94.6Very high2 Ų231 Ų311%0.01415%0.147CC..Hα-helixtrans-60.9-54178.4175.10000111.9T170 R188 L189 L190 W194 A195 F196T170-S192 PolarHBondContact O-OG 2.94Å; T170-S192 PolarHBondContact OG1-O 2.9Å; R188-S192 VanDerWaalsContact O-CB 3.26Å; R188-S192 WeakPolarHBondContact O-CB 3.44Å; R188-S192 PolarHBondContact O-N 3.44Å; L189-S192 PolarHBondContact O-N 2.7Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 2.89Å; S192-W194 VanDerWaalsContact C-N 3.27Å; S192-W194 PolarHBondContact O-N 3.21Å; S192-A195 WeakPolarHBondContact O-CB 3.46Å; S192-A195 PolarHBondContact O-N 3.34Å; S192-F196 PolarHBondContact O-N 2.94Å; S192-F196 VanDerWaalsContact O-N 3.13Å
193Y96.8Very high94.8Very high128 Ų12828.1 Ų28.150%0.50214%0.135SC..Hα-helixtrans-62.2-37179.1-63.9-38.5000112R174 L189 F196 I197R174-Y193 PolarHBondContact NH1-OH 3.49Å; L189-Y193 HydrophobicContact CB-CE2 4.25Å; L189-Y193 WeakPolarHBondContact O-CD2 3.48Å; L189-Y193 PolarHBondContact O-N 3.27Å; Y193-F196 WeakPolarHBondContact O-CB 3.31Å; Y193-F196 PolarHBondContact O-N 2.85Å; Y193-I197 WeakPolarHBondContact O-CG1 3.43Å; Y193-I197 PolarHBondContact O-N 3.4Å
194W97.3Very high94.9Very high25 Ų2531.1 Ų31.110%0.09515%0.151CC..Hα-helixtrans-70.2-38.9176.7-161.9-91.4000112.6L190 I191 S192 F196 I197 V198 F234 T235 F238 H239 F273 M277L190-W194 VanDerWaalsContact O-CB 3.3Å; L190-W194 WeakPolarHBondContact O-CB 3.25Å; L190-W194 PolarHBondContact O-N 2.84Å; I191-W194 PolarHBondContact O-N 3.43Å; S192-W194 VanDerWaalsContact C-N 3.27Å; S192-W194 PolarHBondContact O-N 3.21Å; W194-F196 PolarHBondContact O-N 2.91Å; W194-I197 HydrophobicContact CD2-CD1 4.48Å; W194-I197 HydrophobicContact CE3-CD1 3.82Å; W194-I197 HydrophobicContact CZ3-CD1 4.09Å; W194-I197 CarbonylContact O-C 3.46Å; W194-I197 WeakPolarHBondContact O-CA 3.21Å; W194-I197 WeakPolarHBondContact O-CB 3.44Å; W194-I197 PolarHBondContact O-N 2.81Å; W194-V198 WeakPolarHBondContact O-CG2 3.44Å; W194-V198 PolarHBondContact O-N 3.47Å; W194-F234 AromaticContact CH2-CE1 3.82Å; W194-F234 HydrophobicContact CH2-CE1 3.82Å; W194-F234 HydrophobicContact CH2-CZ 4.37Å; W194-F234 HydrophobicContact CZ2-CD1 4.34Å; W194-F234 AromaticContact CZ2-CE1 3.74Å; W194-F234 HydrophobicContact CZ2-CE1 3.74Å; W194-F234 HydrophobicContact CZ2-CZ 4.32Å; W194-T235 HydrophobicContact CZ2-CG2 4.23Å; W194-T235 PolarHBondContact NE1-O 2.91Å; W194-F238 AromaticContact CD1-CD1 3.68Å; W194-F238 AromaticContact CD2-CD1 3.58Å; W194-F238 HydrophobicContact CD2-CD1 3.58Å; W194-F238 AromaticContact CD2-CE1 3.65Å; W194-F238 HydrophobicContact CD2-CE1 3.65Å; W194-F238 AromaticContact CE2-CD1 3.16Å; W194-F238 AromaticContact CE2-CE1 3.74Å; W194-F238 HydrophobicContact CE3-CD1 4.3Å; W194-F238 HydrophobicContact CE3-CE1 4.03Å; W194-F238 AromaticContact CG-CD1 3.87Å; W194-F238 HydrophobicContact CG-CD1 3.87Å; W194-F238 AromaticContact CG-CE1 3.95Å; W194-F238 HydrophobicContact CG-CE1 3.95Å; W194-F238 HydrophobicContact CH2-CD1 4.21Å; W194-F238 HydrophobicContact CH2-CE1 4.41Å; W194-F238 HydrophobicContact CZ2-CB 4.14Å; W194-F238 AromaticContact CZ2-CD1 3.5Å; W194-F238 HydrophobicContact CZ2-CD1 3.5Å; W194-F238 HydrophobicContact CZ2-CE1 4.11Å; W194-F238 AromaticContact CZ2-CG 3.97Å; W194-F238 HydrophobicContact CZ2-CG 3.97Å; W194-F238 HydrophobicContact CZ3-CE1 4.4Å; W194-F238 AromaticContact NE1-CD1 3.28Å; W194-F238 VanDerWaalsContact NE1-CD1 3.28Å; W194-H239 AromaticContact CD1-ND1 3.69Å; W194-F273 HydrophobicContact CD2-CZ 4.49Å; W194-F273 AromaticContact CE3-CZ 3.96Å; W194-F273 HydrophobicContact CE3-CZ 3.96Å; W194-M277 HydrophobicContact CE3-SD 4.3Å; W194-M277 HydrophobicContact CH2-CG 4.29Å; W194-M277 HydrophobicContact CH2-SD 3.53Å; W194-M277 VanDerWaalsContact CH2-SD 3.53Å; W194-M277 HydrophobicContact CZ3-CG 4.5Å; W194-M277 HydrophobicContact CZ3-SD 3.39Å; W194-M277 WeakPolarHBondContact CZ3-SD 3.44Å
195A97.3Very high94.9Very high0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-57-37.9173.300000111.5F166 Q169 T170 I191 S192 I197 V198 G199F166-A195 WeakPolarHBondContact CB-O 3.38Å; F166-A195 WeakPolarHBondContact O-CB 3.36Å; Q169-A195 HydrophobicContact CB-CB 4.48Å; T170-A195 WeakPolarHBondContact OG1-CB 3.26Å; I191-A195 WeakPolarHBondContact O-CB 3.31Å; I191-A195 PolarHBondContact O-N 2.99Å; S192-A195 WeakPolarHBondContact O-CB 3.46Å; S192-A195 PolarHBondContact O-N 3.34Å; A195-I197 PolarHBondContact O-N 3.24Å; A195-V198 WeakPolarHBondContact O-CB 3.25Å; A195-V198 PolarHBondContact O-N 3.45Å; A195-G199 PolarHBondContact O-N 3.37Å
196F97.6Very high94.7Very high98 Ų9831.4 Ų31.443%0.4315%0.153SC..Hα-helixtrans-63.3-42174.8-173.8-95.5000112F167 T170 S192 Y193 W194 V198 G199 S200F167-F196 HydrophobicContact CD1-CD2 4.03Å; F167-F196 HydrophobicContact CD1-CE2 4.31Å; F167-F196 AromaticContact CE1-CD2 3.91Å; F167-F196 HydrophobicContact CE1-CD2 3.91Å; F167-F196 AromaticContact CE1-CE2 3.95Å; F167-F196 HydrophobicContact CE1-CE2 3.95Å; T170-F196 HydrophobicContact CG2-CB 3.86Å; T170-F196 HydrophobicContact CG2-CD2 4.24Å; T170-F196 WeakPolarHBondContact OG1-CA 3.33Å; T170-F196 PolarHBondContact OG1-N 3.48Å; S192-F196 PolarHBondContact O-N 2.94Å; S192-F196 VanDerWaalsContact O-N 3.13Å; Y193-F196 WeakPolarHBondContact O-CB 3.31Å; Y193-F196 PolarHBondContact O-N 2.85Å; W194-F196 PolarHBondContact O-N 2.91Å; F196-V198 VanDerWaalsContact C-N 3.33Å; F196-G199 PolarHBondContact O-N 3.37Å; F196-S200 VanDerWaalsContact O-CB 3.3Å; F196-S200 WeakPolarHBondContact O-CB 3.5Å; F196-S200 PolarHBondContact O-N 2.91Å; F196-S200 PolarHBondContact O-OG 2.85Å
197I97.3Very high94.4Very high77 Ų7733.5 Ų33.540%0.39516%0.162SC..Hα-helixtrans-63.9-39.7174.8-64.3169.5000110.4Y193 W194 A195 S200 S201 T235Y193-I197 WeakPolarHBondContact O-CG1 3.43Å; Y193-I197 PolarHBondContact O-N 3.4Å; W194-I197 HydrophobicContact CD2-CD1 4.48Å; W194-I197 HydrophobicContact CE3-CD1 3.82Å; W194-I197 HydrophobicContact CZ3-CD1 4.09Å; W194-I197 CarbonylContact O-C 3.46Å; W194-I197 WeakPolarHBondContact O-CA 3.21Å; W194-I197 WeakPolarHBondContact O-CB 3.44Å; W194-I197 PolarHBondContact O-N 2.81Å; A195-I197 PolarHBondContact O-N 3.24Å; I197-S200 PolarHBondContact O-N 3.43Å; I197-S201 WeakPolarHBondContact O-CB 3.39Å; I197-S201 PolarHBondContact O-N 2.92Å; I197-S201 PolarHBondContact O-OG 2.86Å; I197-T235 HydrophobicContact CG2-CG2 3.85Å
198V97.4Very high93.9Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-60.3-54.5175.1179.30000110.7F166 W194 A195 F196 S200 S201 I202 T235 V236 H239F166-V198 HydrophobicContact CB-CB 4.34Å; F166-V198 HydrophobicContact CB-CG1 4.32Å; F166-V198 HydrophobicContact CD1-CB 3.95Å; F166-V198 HydrophobicContact CD1-CG1 3.49Å; F166-V198 VanDerWaalsContact CD1-CG1 3.49Å; F166-V198 HydrophobicContact CD2-CG1 3.76Å; F166-V198 HydrophobicContact CE1-CB 4.44Å; F166-V198 HydrophobicContact CE1-CG1 3.6Å; F166-V198 HydrophobicContact CE2-CG1 3.85Å; F166-V198 HydrophobicContact CG-CB 4.07Å; F166-V198 HydrophobicContact CG-CG1 3.57Å; F166-V198 HydrophobicContact CZ-CG1 3.77Å; W194-V198 WeakPolarHBondContact O-CG2 3.44Å; W194-V198 PolarHBondContact O-N 3.47Å; A195-V198 WeakPolarHBondContact O-CB 3.25Å; A195-V198 PolarHBondContact O-N 3.45Å; F196-V198 VanDerWaalsContact C-N 3.33Å; V198-S200 VanDerWaalsContact C-N 3.29Å; V198-S200 PolarHBondContact O-N 3.1Å; V198-S201 PolarHBondContact O-N 2.9Å; V198-S201 VanDerWaalsContact O-N 3.09Å; V198-S201 PolarHBondContact O-OG 3.29Å; V198-I202 HydrophobicContact CG1-CD1 4.23Å; V198-I202 WeakPolarHBondContact O-CG1 3.49Å; V198-I202 PolarHBondContact O-N 3.49Å; V198-I202 VanDerWaalsContact O-N 3.13Å; V198-T235 WeakPolarHBondContact CG2-O 3.5Å; V198-V236 HydrophobicContact CG1-CG2 3.62Å; V198-H239 HydrophobicContact CG2-CB 3.8Å
199G96.6Very high93.2Very high0 Ų038.7 Ų38.70%019%0.19CC..Hα-helixtrans-56.8-43.717800000112.3A195 F196 S201 I202 L203A195-G199 PolarHBondContact O-N 3.37Å; F196-G199 PolarHBondContact O-N 3.37Å; G199-S201 PolarHBondContact O-N 2.98Å; G199-I202 PolarHBondContact O-N 2.99Å; G199-L203 PolarHBondContact O-N 3Å; G199-L203 VanDerWaalsContact O-N 3.17Å
200S95.8Very high92.4Very high31 Ų3143.7 Ų43.722%0.21721%0.212CC..Hα-helixtrans-64.1-38.3176.3-58.30000112.5F196 I197 V198 I202 L203 N204F196-S200 VanDerWaalsContact O-CB 3.3Å; F196-S200 WeakPolarHBondContact O-CB 3.5Å; F196-S200 PolarHBondContact O-N 2.91Å; F196-S200 PolarHBondContact O-OG 2.85Å; I197-S200 PolarHBondContact O-N 3.43Å; V198-S200 VanDerWaalsContact C-N 3.29Å; V198-S200 PolarHBondContact O-N 3.1Å; S200-I202 VanDerWaalsContact C-N 3.33Å; S200-I202 PolarHBondContact O-N 3.09Å; S200-L203 PolarHBondContact O-N 3.24Å; S200-N204 WeakPolarHBondContact O-CB 3.27Å; S200-N204 VanDerWaalsContact O-CG 3.27Å; S200-N204 PolarHBondContact O-N 3.35Å; S200-N204 PolarHBondContact O-ND2 3.49Å
201S95Very high91.3Very high5 Ų547.6 Ų47.64%0.03523%0.233CC..Hα-helixtrans-65-35.9177.871.20000112.7I197 V198 G199 E205 T235I197-S201 WeakPolarHBondContact O-CB 3.39Å; I197-S201 PolarHBondContact O-N 2.92Å; I197-S201 PolarHBondContact O-OG 2.86Å; V198-S201 PolarHBondContact O-N 2.9Å; V198-S201 VanDerWaalsContact O-N 3.09Å; V198-S201 PolarHBondContact O-OG 3.29Å; G199-S201 PolarHBondContact O-N 2.98Å; S201-E205 PolarHBondContact O-N 3.15Å; S201-E205 VanDerWaalsContact O-N 3.12Å; S201-T235 PolarHBondContact OG-OG1 2.98Å
202I93.8Very high90Very high8 Ų849.9 Ų49.94%0.04124%0.243CC..Hα-helixtrans-66.5-45.4175.1-64.2167.1000110.5A163 F166 V198 G199 S200 E205 M206 K232A163-I202 HydrophobicContact CB-CB 4.23Å; A163-I202 HydrophobicContact CB-CG2 4.13Å; F166-I202 HydrophobicContact CD2-CD1 3.68Å; F166-I202 HydrophobicContact CE2-CD1 3.6Å; V198-I202 HydrophobicContact CG1-CD1 4.23Å; V198-I202 WeakPolarHBondContact O-CG1 3.49Å; V198-I202 PolarHBondContact O-N 3.49Å; V198-I202 VanDerWaalsContact O-N 3.13Å; G199-I202 PolarHBondContact O-N 2.99Å; S200-I202 VanDerWaalsContact C-N 3.33Å; S200-I202 PolarHBondContact O-N 3.09Å; I202-E205 PolarHBondContact O-N 3.48Å; I202-M206 PolarHBondContact O-N 3.39Å; I202-K232 HydrophobicContact CG1-CD 4.02Å; I202-K232 HydrophobicContact CG1-CG 3.97Å
203L93.6Very high88.1Confident43 Ų4353.2 Ų53.223%0.22527%0.266CS..Hα-helixtrans-66.8-39.2176.9-65.9-176.9000112.6M160 A163 F167 G199 S200 E205 M206 I207M160-L203 HydrophobicContact CG-CD2 4.21Å; A163-L203 HydrophobicContact CB-CD2 4.03Å; A163-L203 HydrophobicContact CB-CG 4.06Å; F167-L203 HydrophobicContact CE2-CD1 3.74Å; F167-L203 HydrophobicContact CE2-CG 4.31Å; F167-L203 HydrophobicContact CZ-CD1 3.77Å; F167-L203 HydrophobicContact CZ-CG 4.48Å; G199-L203 PolarHBondContact O-N 3Å; G199-L203 VanDerWaalsContact O-N 3.17Å; S200-L203 PolarHBondContact O-N 3.24Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E205 PolarHBondContact O-N 3.44Å; L203-M206 WeakPolarHBondContact O-CB 3.49Å; L203-M206 PolarHBondContact O-N 3.19Å; L203-M206 VanDerWaalsContact O-N 3.11Å; L203-I207 WeakPolarHBondContact O-CG1 3.4Å; L203-I207 PolarHBondContact O-N 2.88Å
204N91.3Very high86.3Confident65 Ų6553.7 Ų53.735%0.34829%0.285SS..Hα-helixtrans-63.4-38.4177.7-79.1-40.1000111.9S200 M206 I207 M208 W228S200-N204 WeakPolarHBondContact O-CB 3.27Å; S200-N204 VanDerWaalsContact O-CG 3.27Å; S200-N204 PolarHBondContact O-N 3.35Å; S200-N204 PolarHBondContact O-ND2 3.49Å; N204-M206 VanDerWaalsContact C-N 3.28Å; N204-M206 PolarHBondContact O-N 3.24Å; N204-I207 PolarHBondContact O-N 3.33Å; N204-M208 VanDerWaalsContact O-CB 3.29Å; N204-M208 WeakPolarHBondContact O-CB 3.35Å; N204-M208 WeakPolarHBondContact O-CG 3.28Å; N204-M208 PolarHBondContact O-N 2.88Å; N204-W228 HydrophobicContact CB-CE3 4.33Å; N204-W228 HydrophobicContact CB-CZ3 4.1Å
205E88.7Confident84.2Confident29 Ų2957.3 Ų57.314%0.13631%0.314CS..Hα-helixtrans-58.5-42.3172.3-179.2179151.700111.4S201 I202 L203 N209 K232S201-E205 PolarHBondContact O-N 3.15Å; S201-E205 VanDerWaalsContact O-N 3.12Å; I202-E205 PolarHBondContact O-N 3.48Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E205 PolarHBondContact O-N 3.44Å; E205-N209 WeakPolarHBondContact CG-ND2 3.36Å; E205-N209 WeakPolarHBondContact O-CB 3.38Å; E205-N209 PolarHBondContact O-N 2.79Å; E205-N209 PolarHBondContact O-ND2 3.32Å; E205-N209 VanDerWaalsContact O-ND2 3.1Å; E205-K232 IonicContact OE1-NZ 3.72Å; E205-K232 PolarHBondContact OE1-NZ 3.25Å; E205-K232 WeakPolarHBondContact OE2-CD 3.06Å; E205-K232 WeakPolarHBondContact OE2-CE 3.46Å; E205-K232 IonicContact OE2-NZ 2.68Å; E205-K232 PolarHBondContact OE2-NZ 3.03Å
206M86.8Confident82Confident40 Ų4060.5 Ų60.520%0.19734%0.336CS..Hα-helixtrans-62.7-54.2177.1-177.8-16475.500112G156 S159 I202 L203 N204 M208 N209 E210G156-M206 WeakPolarHBondContact CA-SD 3.45Å; G156-M206 VanDerWaalsContact O-SD 3.42Å; S159-M206 VanDerWaalsContact CB-SD 3.54Å; I202-M206 PolarHBondContact O-N 3.39Å; L203-M206 WeakPolarHBondContact O-CB 3.49Å; L203-M206 PolarHBondContact O-N 3.19Å; L203-M206 VanDerWaalsContact O-N 3.11Å; N204-M206 VanDerWaalsContact C-N 3.28Å; N204-M206 PolarHBondContact O-N 3.24Å; M206-M208 VanDerWaalsContact C-N 3.3Å; M206-M208 PolarHBondContact O-N 3.46Å; M206-N209 PolarHBondContact O-N 3.43Å; M206-N209 VanDerWaalsContact O-N 3.1Å; M206-E210 PolarHBondContact O-N 3.34Å
207I87.2Confident79.7Confident69 Ų6961 Ų6135%0.35435%0.352SS..Hα-helixtrans-61.3-41.4-176.3-61.2166.8000110.4L203 N204 N209 E210 N211L203-I207 WeakPolarHBondContact O-CG1 3.4Å; L203-I207 PolarHBondContact O-N 2.88Å; N204-I207 PolarHBondContact O-N 3.33Å; I207-N209 VanDerWaalsContact C-N 3.33Å; I207-N209 PolarHBondContact O-N 3.33Å; I207-E210 PolarHBondContact O-N 3.03Å; I207-N211 PolarHBondContact O-N 2.85Å; I207-N211 VanDerWaalsContact O-N 3.14Å; I207-N211 PolarHBondContact O-ND2 3.48Å
208M83.2Confident77.3Confident65 Ų6559.8 Ų59.832%0.3235%0.35SS..Hα-helixtrans-72.7-26.4178.9-65.5-64.2104.300113N204 M206 W228N204-M208 VanDerWaalsContact O-CB 3.29Å; N204-M208 WeakPolarHBondContact O-CB 3.35Å; N204-M208 WeakPolarHBondContact O-CG 3.28Å; N204-M208 PolarHBondContact O-N 2.88Å; M206-M208 VanDerWaalsContact C-N 3.3Å; M206-M208 PolarHBondContact O-N 3.46Å; M208-W228 HydrophobicContact CG-CD2 4.38Å; M208-W228 HydrophobicContact CG-CZ2 4.03Å; M208-W228 HydrophobicContact SD-CZ2 4.45Å
209N77.9Confident75.1Confident59 Ų5964.1 Ų64.132%0.31638%0.38SS..Hα-helixtrans-78.3-32.1173.3-74.5-22.2000112.3E205 M206 I207 K212E205-N209 WeakPolarHBondContact CG-ND2 3.36Å; E205-N209 WeakPolarHBondContact O-CB 3.38Å; E205-N209 PolarHBondContact O-N 2.79Å; E205-N209 PolarHBondContact O-ND2 3.32Å; E205-N209 VanDerWaalsContact O-ND2 3.1Å; M206-N209 PolarHBondContact O-N 3.43Å; M206-N209 VanDerWaalsContact O-N 3.1Å; I207-N209 VanDerWaalsContact C-N 3.33Å; I207-N209 PolarHBondContact O-N 3.33Å; N209-K212 PolarHBondContact O-N 2.9Å; N209-K212 PolarHBondContact OD1-NZ 3.28Å
210E77.9Confident72.9Confident132 Ų13268.4 Ų68.462%0.61741%0.411SS*.Hα-helixtrans-69.3-40.3175.5-174.6171.2-164.100112.1M206 I207 K212M206-E210 PolarHBondContact O-N 3.34Å; I207-E210 PolarHBondContact O-N 3.03Å; E210-K212 PolarHBondContact O-N 2.89Å; E210-K212 VanDerWaalsContact O-N 3.1Å
211N72.7Confident70.8Confident113 Ų11369.3 Ų69.360%0.60442%0.417SS*.THydrogen-bonded Turntrans-66.6-11.3178.1-71.7-21.2000113.8I207 S213I207-N211 PolarHBondContact O-N 2.85Å; I207-N211 VanDerWaalsContact O-N 3.14Å; I207-N211 PolarHBondContact O-ND2 3.48Å; N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 3.11Å
212K68.9Low69.1Low59 Ų5972.5 Ų72.526%0.25744%0.439SS..  trans-75.186.7172.1-70.3171.3-173.8157.20109.2N209 E210 S225N209-K212 PolarHBondContact O-N 2.9Å; N209-K212 PolarHBondContact OD1-NZ 3.28Å; E210-K212 PolarHBondContact O-N 2.89Å; E210-K212 VanDerWaalsContact O-N 3.1Å; K212-S225 VanDerWaalsContact NZ-CB 3.31Å; K212-S225 PolarHBondContact NZ-OG 2.86Å
213S56.2Low67.7Low71 Ų7175.8 Ų75.850%0.49746%0.463SS..  trans-57136.5170.3-820000110.8N211 S215 S216N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 3.11Å; S213-S215 PolarHBondContact O-N 2.98Å; S213-S216 PolarHBondContact O-N 2.81Å; S213-S216 PolarHBondContact O-OG 3.3Å
214P59.9Low66.4Low139 Ų13976.7 Ų76.790%0.90347%0.473SS*.THydrogen-bonded Turntrans-62.6-9.2-176.921.7-31.3000114.4
215S53.9Low65.7Low101 Ų10175.2 Ų75.271%0.70647%0.468SS*.THydrogen-bonded Turntrans-90.3-12.4-177.148.80000115.3S213 S217S213-S215 PolarHBondContact O-N 2.98Å; S215-S217 PolarHBondContact O-N 2.57Å
216S50.1Low65.5Low66 Ų6675.4 Ų75.446%0.46247%0.469SS..  trans-92.469.2177.557.90000111.8S213 S218S213-S216 PolarHBondContact O-N 2.81Å; S213-S216 PolarHBondContact O-OG 3.3Å; S216-S218 PolarHBondContact O-N 3.45Å
217S49.5Very low65.5Low109 Ų10977.7 Ų77.776%0.76248%0.482SS*.  trans-74.838.7176.952.50000113.9S215S215-S217 PolarHBondContact O-N 2.57Å
218S47.8Very low65.5Low51 Ų5178 Ų7836%0.35748%0.479SS..  trans-103.9121.8175.748.40000111.3S216 S220 S221S216-S218 PolarHBondContact O-N 3.45Å; S218-S220 PolarHBondContact O-N 3.28Å; S218-S221 PolarHBondContact O-N 2.85Å
219S50.5Low65.8Low91 Ų9176.5 Ų76.564%0.63647%0.471SS*.THydrogen-bonded Turntrans-28.8-14.6178.143.80000120.3S308S219-S308 PolarHBondContact OG-OG 3.49Å
220S50.3Low66.5Low91 Ų9176.7 Ų76.764%0.63647%0.468SS*.THydrogen-bonded Turntrans-76.8-20.3178.6-166.80000113.9S218 S222 S223S218-S220 PolarHBondContact O-N 3.28Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 2.93Å; S220-S223 PolarHBondContact O-N 3.18Å
221S52.6Low67.2Low49 Ų4972.7 Ų72.734%0.34345%0.45SS..Hα-helixtrans-67.8-19.9-174.2-166.90000114.9S218 S223 S225S218-S221 PolarHBondContact O-N 2.85Å; S221-S223 PolarHBondContact O-N 3.38Å; S221-S225 PolarHBondContact O-N 3.19Å
222S57.7Low68.2Low73 Ų7368.8 Ų68.851%0.5143%0.428SS..Hα-helixtrans-67.6-37.8-178.8-171.40000112.7S220 S225 L226S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 2.93Å; S222-S225 PolarHBondContact O-N 3.5Å; S222-L226 PolarHBondContact O-N 3.45Å
223S64.7Low69.4Low77 Ų7766 Ų6654%0.53842%0.416SS..Hα-helixtrans-71.2-42.5-176.1-610000112.2S220 S221 S225 L226 L227S220-S223 PolarHBondContact O-N 3.18Å; S221-S223 PolarHBondContact O-N 3.38Å; S223-S225 VanDerWaalsContact C-N 3.28Å; S223-S225 PolarHBondContact O-N 3.32Å; S223-L226 PolarHBondContact O-N 2.87Å; S223-L227 PolarHBondContact O-N 3.02Å; S223-L227 VanDerWaalsContact O-N 3.12Å
224S66.8Low71.3Confident61 Ų6163.9 Ų63.943%0.42740%0.398SS..Hα-helixtrans-64.4-34.7178.1-530000111.8L227 W228S224-L227 PolarHBondContact O-N 3.4Å; S224-W228 PolarHBondContact O-N 3.36Å
225S77.5Confident73.1Confident35 Ų3557.4 Ų57.425%0.24536%0.356CS..Hα-helixtrans-64.3-42.3176.9-150.20000112.3K212 S221 S222 S223 I229K212-S225 VanDerWaalsContact NZ-CB 3.31Å; K212-S225 PolarHBondContact NZ-OG 2.86Å; S221-S225 PolarHBondContact O-N 3.19Å; S222-S225 PolarHBondContact O-N 3.5Å; S223-S225 VanDerWaalsContact C-N 3.28Å; S223-S225 PolarHBondContact O-N 3.32Å; S225-I229 WeakPolarHBondContact O-CD1 3.47Å; S225-I229 VanDerWaalsContact O-CG1 3.26Å; S225-I229 WeakPolarHBondContact O-CG1 3.27Å; S225-I229 PolarHBondContact O-N 2.86Å
226L82.7Confident75.1Confident33 Ų3352.6 Ų52.617%0.17332%0.322CS..Hα-helixtrans-70.4-37.6179.6-179.1131.7000112.1S222 S223 W228 I229 W230 L288S222-L226 PolarHBondContact O-N 3.45Å; S223-L226 PolarHBondContact O-N 2.87Å; L226-W228 VanDerWaalsContact C-N 3.31Å; L226-W228 PolarHBondContact O-N 3.05Å; L226-I229 PolarHBondContact O-N 2.79Å; L226-W230 VanDerWaalsContact O-CB 3.28Å; L226-W230 WeakPolarHBondContact O-CB 3.28Å; L226-W230 PolarHBondContact O-N 2.85Å; L226-L288 HydrophobicContact CD2-CD1 4.45Å
227L86.9Confident77.3Confident88 Ų8850 Ų5046%0.46130%0.303SS..Hα-helixtrans-57.4-46.8180-170.6160000110.8S223 S224 W230 I231S223-L227 PolarHBondContact O-N 3.02Å; S223-L227 VanDerWaalsContact O-N 3.12Å; S224-L227 PolarHBondContact O-N 3.4Å; L227-W230 WeakPolarHBondContact O-CB 3.28Å; L227-W230 PolarHBondContact O-N 3.49Å; L227-I231 HydrophobicContact CD2-CD1 3.37Å; L227-I231 HydrophobicContact CD2-CG1 4.01Å; L227-I231 WeakPolarHBondContact O-CG1 3.29Å; L227-I231 PolarHBondContact O-N 3.46Å
228W88.5Confident79.6Confident75 Ų7544.9 Ų44.928%0.28427%0.267SS..Hα-helixtrans-65.9-41178.2-69.4116.8000113.1N204 M208 S224 L226 W230 I231 K232N204-W228 HydrophobicContact CB-CE3 4.33Å; N204-W228 HydrophobicContact CB-CZ3 4.1Å; M208-W228 HydrophobicContact CG-CD2 4.38Å; M208-W228 HydrophobicContact CG-CZ2 4.03Å; M208-W228 HydrophobicContact SD-CZ2 4.45Å; S224-W228 PolarHBondContact O-N 3.36Å; L226-W228 VanDerWaalsContact C-N 3.31Å; L226-W228 PolarHBondContact O-N 3.05Å; W228-W230 VanDerWaalsContact C-N 3.29Å; W228-W230 PolarHBondContact O-N 3.45Å; W228-I231 HydrophobicContact CE3-CD1 4.11Å; W228-I231 HydrophobicContact CZ3-CD1 4.13Å; W228-I231 PolarHBondContact O-N 2.99Å; W228-K232 PolarHBondContact O-N 3.35Å
229I89.3Confident81.9Confident33 Ų3342.4 Ų42.417%0.16925%0.25CC..Hα-helixtrans-63-38.7174.7-65.4164.3000111A53 S225 L226 K232 C233A53-I229 HydrophobicContact CB-CG2 3.37Å; S225-I229 WeakPolarHBondContact O-CD1 3.47Å; S225-I229 VanDerWaalsContact O-CG1 3.26Å; S225-I229 WeakPolarHBondContact O-CG1 3.27Å; S225-I229 PolarHBondContact O-N 2.86Å; L226-I229 PolarHBondContact O-N 2.79Å; I229-K232 PolarHBondContact O-N 2.9Å; I229-C233 WeakPolarHBondContact O-CB 3.36Å; I229-C233 PolarHBondContact O-N 3.43Å; I229-C233 PolarHBondContact O-SG 3.26Å
230W91.3Very high84.1Confident63 Ų6338.1 Ų38.124%0.23922%0.219CC..Hα-helixtrans-64.5-47.7175.7179.470.3000111.2W50 L226 L227 W228 K232 C233 F234 M281W50-W230 HydrophobicContact CH2-CB 4.22Å; W50-W230 AromaticContact CH2-CD1 3.35Å; W50-W230 HydrophobicContact CH2-CG 4.17Å; W50-W230 AromaticContact CZ2-CD1 3.93Å; W50-W230 HydrophobicContact CZ3-CB 3.99Å; W50-W230 AromaticContact CZ3-CD1 3.72Å; W50-W230 HydrophobicContact CZ3-CG 4.29Å; L226-W230 VanDerWaalsContact O-CB 3.28Å; L226-W230 WeakPolarHBondContact O-CB 3.28Å; L226-W230 PolarHBondContact O-N 2.85Å; L227-W230 WeakPolarHBondContact O-CB 3.28Å; L227-W230 PolarHBondContact O-N 3.49Å; W228-W230 VanDerWaalsContact C-N 3.29Å; W228-W230 PolarHBondContact O-N 3.45Å; W230-K232 PolarHBondContact O-N 3.41Å; W230-C233 PolarHBondContact O-N 3.38Å; W230-F234 VanDerWaalsContact O-CB 3.26Å; W230-F234 WeakPolarHBondContact O-CB 3.3Å; W230-F234 PolarHBondContact O-N 2.86Å; W230-M281 HydrophobicContact CH2-CG 3.81Å; W230-M281 HydrophobicContact CH2-SD 4.11Å; W230-M281 HydrophobicContact CZ2-CG 3.7Å
231I93.6Very high86.3Confident48 Ų4834.5 Ų34.525%0.24619%0.194CC..Hα-helixtrans-57.5-48.1175.1-69.5177.9000110.5L227 W228 C233 F234 T235L227-I231 HydrophobicContact CD2-CD1 3.37Å; L227-I231 HydrophobicContact CD2-CG1 4.01Å; L227-I231 WeakPolarHBondContact O-CG1 3.29Å; L227-I231 PolarHBondContact O-N 3.46Å; W228-I231 HydrophobicContact CE3-CD1 4.11Å; W228-I231 HydrophobicContact CZ3-CD1 4.13Å; W228-I231 PolarHBondContact O-N 2.99Å; I231-C233 PolarHBondContact O-N 3.47Å; I231-F234 WeakPolarHBondContact O-CB 3.44Å; I231-F234 PolarHBondContact O-N 3.35Å; I231-T235 HydrophobicContact CG2-CG2 4.28Å; I231-T235 VanDerWaalsContact O-CG2 3.29Å; I231-T235 WeakPolarHBondContact O-CG2 3.32Å; I231-T235 PolarHBondContact O-N 2.92Å; I231-T235 PolarHBondContact O-OG1 3.19Å
232K93.9Very high88.4Confident32 Ų3232.2 Ų32.214%0.13918%0.178CC..Hα-helixtrans-58-48177.2177.9-172.365.2-164.70111.8W49 I202 E205 W228 I229 W230 F234 T235 V236W49-K232 HydrophobicContact CE3-CD 4.38Å; W49-K232 HydrophobicContact CZ3-CD 4.43Å; I202-K232 HydrophobicContact CG1-CD 4.02Å; I202-K232 HydrophobicContact CG1-CG 3.97Å; E205-K232 IonicContact OE1-NZ 3.72Å; E205-K232 PolarHBondContact OE1-NZ 3.25Å; E205-K232 WeakPolarHBondContact OE2-CD 3.06Å; E205-K232 WeakPolarHBondContact OE2-CE 3.46Å; E205-K232 IonicContact OE2-NZ 2.68Å; E205-K232 PolarHBondContact OE2-NZ 3.03Å; W228-K232 PolarHBondContact O-N 3.35Å; I229-K232 PolarHBondContact O-N 2.9Å; W230-K232 PolarHBondContact O-N 3.41Å; K232-F234 VanDerWaalsContact C-N 3.34Å; K232-F234 PolarHBondContact O-N 3Å; K232-T235 PolarHBondContact O-N 3.39Å; K232-T235 PolarHBondContact O-OG1 2.97Å; K232-V236 WeakPolarHBondContact O-CG2 3.39Å; K232-V236 PolarHBondContact O-N 3.03Å; K232-V236 VanDerWaalsContact O-N 3.15Å
233C94.1Very high90.2Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-67.7-37.9-178.4-64.30000111.3W50 I229 W230 I231 I237 Q284W50-C233 HydrophobicContact CB-CB 4.03Å; W50-C233 HydrophobicContact CD2-CB 4.22Å; W50-C233 HydrophobicContact CE3-CB 3.67Å; W50-C233 HydrophobicContact CG-CB 4.4Å; I229-C233 WeakPolarHBondContact O-CB 3.36Å; I229-C233 PolarHBondContact O-N 3.43Å; I229-C233 PolarHBondContact O-SG 3.26Å; W230-C233 PolarHBondContact O-N 3.38Å; I231-C233 PolarHBondContact O-N 3.47Å; C233-I237 WeakPolarHBondContact O-CB 3.35Å; C233-I237 VanDerWaalsContact O-CG1 3.26Å; C233-I237 WeakPolarHBondContact O-CG1 3.34Å; C233-I237 PolarHBondContact O-N 2.86Å; C233-Q284 VanDerWaalsContact C-NE2 3.28Å; C233-Q284 PolarHBondContact O-NE2 3.28Å
234F96Very high91.6Very high27 Ų2726.3 Ų26.312%0.11814%0.136CC..Hα-helixtrans-56.3-54.1172.7173.7-108.3000111.8W194 W230 I231 K232 V236 I237 F238 M277 V280 M281 Q284W194-F234 AromaticContact CH2-CE1 3.82Å; W194-F234 HydrophobicContact CH2-CE1 3.82Å; W194-F234 HydrophobicContact CH2-CZ 4.37Å; W194-F234 HydrophobicContact CZ2-CD1 4.34Å; W194-F234 AromaticContact CZ2-CE1 3.74Å; W194-F234 HydrophobicContact CZ2-CE1 3.74Å; W194-F234 HydrophobicContact CZ2-CZ 4.32Å; W230-F234 VanDerWaalsContact O-CB 3.26Å; W230-F234 WeakPolarHBondContact O-CB 3.3Å; W230-F234 PolarHBondContact O-N 2.86Å; I231-F234 WeakPolarHBondContact O-CB 3.44Å; I231-F234 PolarHBondContact O-N 3.35Å; K232-F234 VanDerWaalsContact C-N 3.34Å; K232-F234 PolarHBondContact O-N 3Å; F234-V236 VanDerWaalsContact C-N 3.32Å; F234-V236 PolarHBondContact O-N 3.49Å; F234-I237 PolarHBondContact O-N 3.16Å; F234-F238 VanDerWaalsContact O-CB 3.28Å; F234-F238 WeakPolarHBondContact O-CB 3.49Å; F234-F238 PolarHBondContact O-N 3.35Å; F234-M277 HydrophobicContact CZ-CB 4.43Å; F234-V280 HydrophobicContact CD2-CG1 3.94Å; F234-V280 HydrophobicContact CE2-CB 4.18Å; F234-V280 HydrophobicContact CE2-CG1 3.94Å; F234-M281 HydrophobicContact CD2-CB 4.32Å; F234-M281 HydrophobicContact CE2-CB 3.8Å; F234-Q284 VanDerWaalsContact CB-OE1 3.24Å; F234-Q284 VanDerWaalsContact N-NE2 3.16Å
235T96.9Very high92.8Very high3 Ų326.4 Ų26.42%0.01813%0.13CC..Hα-helixtrans-60.6-43.6-176.956.20000110.8W194 I197 V198 S201 I231 K232 H239W194-T235 HydrophobicContact CZ2-CG2 4.23Å; W194-T235 PolarHBondContact NE1-O 2.91Å; I197-T235 HydrophobicContact CG2-CG2 3.85Å; V198-T235 WeakPolarHBondContact CG2-O 3.5Å; S201-T235 PolarHBondContact OG-OG1 2.98Å; I231-T235 HydrophobicContact CG2-CG2 4.28Å; I231-T235 VanDerWaalsContact O-CG2 3.29Å; I231-T235 WeakPolarHBondContact O-CG2 3.32Å; I231-T235 PolarHBondContact O-N 2.92Å; I231-T235 PolarHBondContact O-OG1 3.19Å; K232-T235 PolarHBondContact O-N 3.39Å; K232-T235 PolarHBondContact O-OG1 2.97Å; T235-H239 VanDerWaalsContact O-CB 3.24Å; T235-H239 WeakPolarHBondContact O-CB 3.19Å; T235-H239 PolarHBondContact O-N 2.94Å
236V96.3Very high93.5Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-67.9-46.1179.9178.10000112.5W49 F166 V198 K232 F234 H239 G240W49-V236 HydrophobicContact CE3-CG2 4.15Å; W49-V236 HydrophobicContact CZ3-CG1 4.41Å; W49-V236 HydrophobicContact CZ3-CG2 3.77Å; F166-V236 HydrophobicContact CZ-CG2 4.4Å; V198-V236 HydrophobicContact CG1-CG2 3.62Å; K232-V236 WeakPolarHBondContact O-CG2 3.39Å; K232-V236 PolarHBondContact O-N 3.03Å; K232-V236 VanDerWaalsContact O-N 3.15Å; F234-V236 VanDerWaalsContact C-N 3.32Å; F234-V236 PolarHBondContact O-N 3.49Å; V236-H239 WeakPolarHBondContact O-CB 3.4Å; V236-H239 PolarHBondContact O-N 3.43Å; V236-G240 PolarHBondContact O-N 3.22Å
237I96.7Very high93.8Very high12 Ų1223.4 Ų23.46%0.06211%0.111CC..Hα-helixtrans-64.9-44179.5-70.8167.5000110.4L43 G46 L47 W50 C233 F234 H239 G240 S241 V280 Q284L43-I237 HydrophobicContact CD1-CG2 4.13Å; G46-I237 VanDerWaalsContact C-CG1 3.49Å; L47-I237 HydrophobicContact CD2-CD1 3.98Å; L47-I237 HydrophobicContact CG-CD1 4.28Å; L47-I237 HydrophobicContact CG-CG1 4.5Å; W50-I237 HydrophobicContact CB-CD1 4.26Å; C233-I237 WeakPolarHBondContact O-CB 3.35Å; C233-I237 VanDerWaalsContact O-CG1 3.26Å; C233-I237 WeakPolarHBondContact O-CG1 3.34Å; C233-I237 PolarHBondContact O-N 2.86Å; F234-I237 PolarHBondContact O-N 3.16Å; I237-H239 VanDerWaalsContact C-N 3.34Å; I237-G240 PolarHBondContact O-N 3.42Å; I237-S241 WeakPolarHBondContact O-CB 3.48Å; I237-S241 PolarHBondContact O-N 3.07Å; I237-S241 PolarHBondContact O-OG 3.46Å; I237-V280 HydrophobicContact CB-CG1 4.36Å; I237-V280 HydrophobicContact CG2-CG1 3.81Å; I237-Q284 HydrophobicContact CD1-CG 4.5Å
238F97.5Very high93.9Very high0 Ų023.2 Ų23.20%011%0.107CC..Hα-helixtrans-61-45.2175178.4-93.5000110.9W194 F234 G240 S241 W242 F273 H276 M277 V280W194-F238 AromaticContact CD1-CD1 3.68Å; W194-F238 AromaticContact CD2-CD1 3.58Å; W194-F238 HydrophobicContact CD2-CD1 3.58Å; W194-F238 AromaticContact CD2-CE1 3.65Å; W194-F238 HydrophobicContact CD2-CE1 3.65Å; W194-F238 AromaticContact CE2-CD1 3.16Å; W194-F238 AromaticContact CE2-CE1 3.74Å; W194-F238 HydrophobicContact CE3-CD1 4.3Å; W194-F238 HydrophobicContact CE3-CE1 4.03Å; W194-F238 AromaticContact CG-CD1 3.87Å; W194-F238 HydrophobicContact CG-CD1 3.87Å; W194-F238 AromaticContact CG-CE1 3.95Å; W194-F238 HydrophobicContact CG-CE1 3.95Å; W194-F238 HydrophobicContact CH2-CD1 4.21Å; W194-F238 HydrophobicContact CH2-CE1 4.41Å; W194-F238 HydrophobicContact CZ2-CB 4.14Å; W194-F238 AromaticContact CZ2-CD1 3.5Å; W194-F238 HydrophobicContact CZ2-CD1 3.5Å; W194-F238 HydrophobicContact CZ2-CE1 4.11Å; W194-F238 AromaticContact CZ2-CG 3.97Å; W194-F238 HydrophobicContact CZ2-CG 3.97Å; W194-F238 HydrophobicContact CZ3-CE1 4.4Å; W194-F238 AromaticContact NE1-CD1 3.28Å; W194-F238 VanDerWaalsContact NE1-CD1 3.28Å; F234-F238 VanDerWaalsContact O-CB 3.28Å; F234-F238 WeakPolarHBondContact O-CB 3.49Å; F234-F238 PolarHBondContact O-N 3.35Å; F238-G240 PolarHBondContact O-N 2.75Å; F238-S241 WeakPolarHBondContact CA-OG 3.16Å; F238-S241 PolarHBondContact O-N 3.41Å; F238-S241 PolarHBondContact O-OG 3.46Å; F238-W242 HydrophobicContact CE1-CB 4.19Å; F238-W242 HydrophobicContact CE1-CG 4.47Å; F238-W242 HydrophobicContact CZ-CB 4.23Å; F238-W242 HydrophobicContact CZ-CG 4.39Å; F238-W242 VanDerWaalsContact O-CB 3.28Å; F238-W242 WeakPolarHBondContact O-CB 3.39Å; F238-W242 PolarHBondContact O-N 3Å; F238-F273 HydrophobicContact CE1-CD2 4.18Å; F238-F273 HydrophobicContact CE1-CE1 4.44Å; F238-F273 AromaticContact CE1-CE2 3.39Å; F238-F273 HydrophobicContact CE1-CE2 3.39Å; F238-F273 AromaticContact CE1-CZ 3.53Å; F238-F273 HydrophobicContact CE1-CZ 3.53Å; F238-F273 AromaticContact CZ-CD2 3.66Å; F238-F273 HydrophobicContact CZ-CD2 3.66Å; F238-F273 HydrophobicContact CZ-CE1 4.28Å; F238-F273 AromaticContact CZ-CE2 3.34Å; F238-F273 HydrophobicContact CZ-CE2 3.34Å; F238-F273 HydrophobicContact CZ-CG 4.29Å; F238-F273 AromaticContact CZ-CZ 3.68Å; F238-F273 HydrophobicContact CZ-CZ 3.68Å; F238-H276 AromaticContact CD2-CD2 3.66Å; F238-H276 HydrophobicContact CE2-CB 3.97Å; F238-H276 AromaticContact CE2-CD2 3.49Å; F238-H276 VanDerWaalsContact CE2-CD2 3.49Å; F238-H276 WeakPolarHBondContact CE2-CD2 3.34Å; F238-H276 AromaticContact CE2-CG 3.99Å; F238-M277 HydrophobicContact CD1-CG 4.34Å; F238-M277 HydrophobicContact CD2-CB 4.24Å; F238-M277 HydrophobicContact CD2-CG 3.7Å; F238-M277 HydrophobicContact CE1-CG 3.83Å; F238-M277 HydrophobicContact CE1-SD 4.48Å; F238-M277 VanDerWaalsContact CE2-CA 3.49Å; F238-M277 HydrophobicContact CE2-CB 3.9Å; F238-M277 HydrophobicContact CE2-CG 3.17Å; F238-M277 VanDerWaalsContact CE2-N 3.29Å; F238-M277 HydrophobicContact CG-CG 4.25Å; F238-M277 HydrophobicContact CZ-CB 4.37Å; F238-M277 HydrophobicContact CZ-CG 3.2Å; F238-M277 HydrophobicContact CZ-SD 4.26Å; F238-V280 HydrophobicContact CB-CG1 4.15Å; F238-V280 HydrophobicContact CD2-CB 4.35Å; F238-V280 HydrophobicContact CD2-CG2 4.1Å
239H97.1Very high93.9Very high0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-56.6-50.8178.3-167.156.2000112.3F166 Q169 I191 W194 V198 T235 V236 I237 W242 I243F166-H239 AromaticContact CD1-CD2 3.93Å; F166-H239 AromaticContact CE1-CD2 3.87Å; Q169-H239 PolarHBondContact OE1-NE2 2.95Å; I191-H239 VanDerWaalsContact CG2-CE1 3.46Å; I191-H239 WeakPolarHBondContact CG2-CE1 3.37Å; I191-H239 PolarHBondContact O-CE1 3.04Å; W194-H239 AromaticContact CD1-ND1 3.69Å; V198-H239 HydrophobicContact CG2-CB 3.8Å; T235-H239 VanDerWaalsContact O-CB 3.24Å; T235-H239 WeakPolarHBondContact O-CB 3.19Å; T235-H239 PolarHBondContact O-N 2.94Å; V236-H239 WeakPolarHBondContact O-CB 3.4Å; V236-H239 PolarHBondContact O-N 3.43Å; I237-H239 VanDerWaalsContact C-N 3.34Å; H239-W242 PolarHBondContact O-N 3.43Å; H239-I243 VanDerWaalsContact O-CG1 3.28Å; H239-I243 WeakPolarHBondContact O-CG1 3.3Å; H239-I243 PolarHBondContact O-N 2.86Å; H239-I243 VanDerWaalsContact O-N 3.07Å
240G96.3Very high93.7Very high0 Ų019.2 Ų19.20%09%0.092CC..Hα-helixtrans-61.7-46.8178.300000112.8G39 V236 I237 F238 W242 I243 C244G39-G240 CarbonylContact C-O 3.59Å; G39-G240 WeakPolarHBondContact CA-O 3.39Å; G39-G240 CarbonylContact O-C 3.47Å; G39-G240 WeakPolarHBondContact O-CA 3.46Å; V236-G240 PolarHBondContact O-N 3.22Å; I237-G240 PolarHBondContact O-N 3.42Å; F238-G240 PolarHBondContact O-N 2.75Å; G240-W242 PolarHBondContact O-N 3.49Å; G240-I243 PolarHBondContact O-N 3.42Å; G240-C244 PolarHBondContact O-N 3.37Å
241S96.5Very high93.2Very high16 Ų1618.7 Ų18.711%0.1129%0.093CC..Hα-helixtrans-66.9-34.3179.4590000113.4I237 F238 C244 Q245 H276I237-S241 WeakPolarHBondContact O-CB 3.48Å; I237-S241 PolarHBondContact O-N 3.07Å; I237-S241 PolarHBondContact O-OG 3.46Å; F238-S241 WeakPolarHBondContact CA-OG 3.16Å; F238-S241 PolarHBondContact O-N 3.41Å; F238-S241 PolarHBondContact O-OG 3.46Å; S241-C244 WeakPolarHBondContact O-CB 3.49Å; S241-C244 PolarHBondContact O-N 2.83Å; S241-Q245 PolarHBondContact O-N 3.14Å; S241-H276 VanDerWaalsContact CB-NE2 3.32Å; S241-H276 WeakPolarHBondContact CB-NE2 3.31Å; S241-H276 PolarHBondContact OG-NE2 3.33Å
242W96.6Very high92.5Very high0 Ų017.4 Ų17.40%09%0.089CC..Hα-helixtrans-70.7-35.7176.5-177.5-113.6000112.7L190 I191 F238 H239 G240 C244 Q245 T246 L249 T269 I272 F273 H276L190-W242 HydrophobicContact CD1-CZ2 3.98Å; I191-W242 VanDerWaalsContact CG1-CD1 3.49Å; F238-W242 HydrophobicContact CE1-CB 4.19Å; F238-W242 HydrophobicContact CE1-CG 4.47Å; F238-W242 HydrophobicContact CZ-CB 4.23Å; F238-W242 HydrophobicContact CZ-CG 4.39Å; F238-W242 VanDerWaalsContact O-CB 3.28Å; F238-W242 WeakPolarHBondContact O-CB 3.39Å; F238-W242 PolarHBondContact O-N 3Å; H239-W242 PolarHBondContact O-N 3.43Å; G240-W242 PolarHBondContact O-N 3.49Å; W242-C244 VanDerWaalsContact C-N 3.34Å; W242-Q245 HydrophobicContact CE3-CB 4.06Å; W242-Q245 HydrophobicContact CE3-CG 4.15Å; W242-Q245 HydrophobicContact CZ3-CB 4.37Å; W242-Q245 HydrophobicContact CZ3-CG 3.96Å; W242-Q245 PolarHBondContact O-N 3Å; W242-T246 PolarHBondContact NE1-OG1 2.89Å; W242-T246 WeakPolarHBondContact O-CB 3.43Å; W242-T246 PolarHBondContact O-N 3.28Å; W242-T246 PolarHBondContact O-OG1 3.39Å; W242-L249 HydrophobicContact CH2-CD1 4.19Å; W242-T269 HydrophobicContact CH2-CG2 4.27Å; W242-T269 HydrophobicContact CZ2-CG2 4.24Å; W242-I272 HydrophobicContact CZ3-CG2 4.12Å; W242-F273 AromaticContact CD1-CE2 3.82Å; W242-F273 AromaticContact CD2-CD2 3.53Å; W242-F273 HydrophobicContact CD2-CD2 3.53Å; W242-F273 AromaticContact CD2-CE2 3.98Å; W242-F273 HydrophobicContact CD2-CE2 3.98Å; W242-F273 AromaticContact CE2-CD2 3.35Å; W242-F273 AromaticContact CE2-CE2 3.89Å; W242-F273 AromaticContact CE3-CD2 3.87Å; W242-F273 HydrophobicContact CE3-CD2 3.87Å; W242-F273 HydrophobicContact CG-CD2 4.05Å; W242-F273 AromaticContact CG-CE2 3.99Å; W242-F273 HydrophobicContact CG-CE2 3.99Å; W242-F273 HydrophobicContact CH2-CB 3.72Å; W242-F273 AromaticContact CH2-CD2 3.9Å; W242-F273 HydrophobicContact CH2-CD2 3.9Å; W242-F273 HydrophobicContact CH2-CG 4.34Å; W242-F273 HydrophobicContact CZ2-CB 4.07Å; W242-F273 AromaticContact CZ2-CD2 3.57Å; W242-F273 HydrophobicContact CZ2-CD2 3.57Å; W242-F273 HydrophobicContact CZ2-CE2 4.47Å; W242-F273 HydrophobicContact CZ2-CG 4.29Å; W242-F273 HydrophobicContact CZ3-CB 4.05Å; W242-F273 HydrophobicContact CZ3-CD2 4.04Å; W242-F273 AromaticContact NE1-CD2 3.72Å; W242-F273 AromaticContact NE1-CE2 3.77Å; W242-H276 HydrophobicContact CE3-CB 4.37Å; W242-H276 HydrophobicContact CZ3-CB 4.48Å
243I95.5Very high91.6Very high5 Ų519.4 Ų19.43%0.02611%0.105CC..Hα-helixtrans-62.1-43.4172.6-67.4166000110.2S35 L38 L42 I191 H239 G240 T246 G247S35-I243 VanDerWaalsContact O-CG2 3.29Å; S35-I243 WeakPolarHBondContact O-CG2 3.38Å; L38-I243 HydrophobicContact CB-CG2 4.4Å; L38-I243 HydrophobicContact CD2-CD1 4.27Å; L38-I243 HydrophobicContact CD2-CG2 4.33Å; L38-I243 HydrophobicContact CG-CD1 4.35Å; L38-I243 HydrophobicContact CG-CG2 4.38Å; L42-I243 HydrophobicContact CD1-CD1 3.7Å; I191-I243 HydrophobicContact CD1-CG1 4.27Å; I191-I243 HydrophobicContact CG1-CG1 4.32Å; I191-I243 HydrophobicContact CG2-CD1 4.17Å; I191-I243 HydrophobicContact CG2-CG1 3.8Å; H239-I243 VanDerWaalsContact O-CG1 3.28Å; H239-I243 WeakPolarHBondContact O-CG1 3.3Å; H239-I243 PolarHBondContact O-N 2.86Å; H239-I243 VanDerWaalsContact O-N 3.07Å; G240-I243 PolarHBondContact O-N 3.42Å; I243-T246 PolarHBondContact O-N 2.85Å; I243-G247 PolarHBondContact O-N 2.93Å
244C93.6Very high90.8Very high21 Ų2127.5 Ų27.514%0.14214%0.141CC..Hα-helixtrans-58.4-50172.9-69.80000111.5G39 I40 G240 S241 W242 T246 G247 F248G39-C244 WeakPolarHBondContact CA-SG 3.34Å; I40-C244 PolarHBondContact N-SG 3.4Å; I40-C244 VanDerWaalsContact N-SG 3.39Å; G240-C244 PolarHBondContact O-N 3.37Å; S241-C244 WeakPolarHBondContact O-CB 3.49Å; S241-C244 PolarHBondContact O-N 2.83Å; W242-C244 VanDerWaalsContact C-N 3.34Å; C244-T246 VanDerWaalsContact C-N 3.29Å; C244-T246 PolarHBondContact O-N 3.47Å; C244-G247 WeakPolarHBondContact O-CA 3.3Å; C244-G247 PolarHBondContact O-N 3.49Å; C244-G247 VanDerWaalsContact O-N 3.08Å; C244-F248 VanDerWaalsContact O-CD2 3.24Å; C244-F248 WeakPolarHBondContact O-CD2 3.49Å; C244-F248 PolarHBondContact O-N 3.27Å; C244-F248 VanDerWaalsContact O-N 3.11Å
245Q93.2Very high89.8Confident64 Ų6431.3 Ų31.330%0.29916%0.162SC..Hα-helixtrans-59.2-41.4-179.6-171.66525.700111.7S241 W242 G247 F248 L249S241-Q245 PolarHBondContact O-N 3.14Å; W242-Q245 HydrophobicContact CE3-CB 4.06Å; W242-Q245 HydrophobicContact CE3-CG 4.15Å; W242-Q245 HydrophobicContact CZ3-CB 4.37Å; W242-Q245 HydrophobicContact CZ3-CG 3.96Å; W242-Q245 PolarHBondContact O-N 3Å; Q245-G247 VanDerWaalsContact C-N 3.33Å; Q245-G247 PolarHBondContact O-N 3.37Å; Q245-F248 PolarHBondContact O-N 3.14Å; Q245-L249 HydrophobicContact CG-CD1 4.15Å; Q245-L249 WeakPolarHBondContact O-CG 3.33Å; Q245-L249 PolarHBondContact O-N 3.23Å
246T91.5Very high88.7Confident4 Ų436.5 Ų36.53%0.02520%0.196CC..Hα-helixtrans-62-40.9175.2-63.50000111.5C187 I191 W242 I243 C244 F248 L249 L250C187-T246 HydrophobicContact CB-CG2 3.6Å; I191-T246 HydrophobicContact CD1-CG2 3.87Å; W242-T246 PolarHBondContact NE1-OG1 2.89Å; W242-T246 WeakPolarHBondContact O-CB 3.43Å; W242-T246 PolarHBondContact O-N 3.28Å; W242-T246 PolarHBondContact O-OG1 3.39Å; I243-T246 PolarHBondContact O-N 2.85Å; C244-T246 VanDerWaalsContact C-N 3.29Å; C244-T246 PolarHBondContact O-N 3.47Å; T246-F248 VanDerWaalsContact C-N 3.32Å; T246-F248 PolarHBondContact O-N 3.47Å; T246-L249 PolarHBondContact O-N 3.21Å; T246-L250 HydrophobicContact CG2-CD1 3.6Å; T246-L250 HydrophobicContact CG2-CG 4.11Å; T246-L250 WeakPolarHBondContact O-CB 3.48Å; T246-L250 WeakPolarHBondContact O-CG 3.25Å; T246-L250 PolarHBondContact O-N 2.53Å
247G89.4Confident87.5Confident0 Ų040.9 Ų40.90%023%0.227CC..Hα-helixtrans-55.8-46.4172.900000112I243 C244 Q245 N251I243-G247 PolarHBondContact O-N 2.93Å; C244-G247 WeakPolarHBondContact O-CA 3.3Å; C244-G247 PolarHBondContact O-N 3.49Å; C244-G247 VanDerWaalsContact O-N 3.08Å; Q245-G247 VanDerWaalsContact C-N 3.33Å; Q245-G247 PolarHBondContact O-N 3.37Å; G247-N251 CarbonylContact O-C 3.55Å; G247-N251 PolarHBondContact O-N 3Å
248F88.4Confident86.5Confident84 Ų8443.4 Ų43.437%0.36824%0.235SC..Hα-helixtrans-66.9-35.7176.2-76.2-74.2000113.6F32 C244 Q245 T246 S252F32-F248 HydrophobicContact CD2-CD1 4.25Å; F32-F248 HydrophobicContact CD2-CE1 4.46Å; F32-F248 HydrophobicContact CD2-CG 4.46Å; F32-F248 AromaticContact CE2-CD1 3.37Å; F32-F248 HydrophobicContact CE2-CD1 3.37Å; F32-F248 AromaticContact CE2-CD2 3.97Å; F32-F248 HydrophobicContact CE2-CD2 3.97Å; F32-F248 AromaticContact CE2-CE1 3.26Å; F32-F248 HydrophobicContact CE2-CE1 3.26Å; F32-F248 AromaticContact CE2-CE2 3.86Å; F32-F248 HydrophobicContact CE2-CE2 3.86Å; F32-F248 AromaticContact CE2-CG 3.72Å; F32-F248 HydrophobicContact CE2-CG 3.72Å; F32-F248 AromaticContact CE2-CZ 3.51Å; F32-F248 HydrophobicContact CE2-CZ 3.51Å; F32-F248 HydrophobicContact CZ-CD1 4.01Å; F32-F248 AromaticContact CZ-CE1 3.42Å; F32-F248 HydrophobicContact CZ-CE1 3.42Å; F32-F248 VanDerWaalsContact CZ-CE1 3.42Å; F32-F248 HydrophobicContact CZ-CE2 4.28Å; F32-F248 AromaticContact CZ-CZ 3.57Å; F32-F248 HydrophobicContact CZ-CZ 3.57Å; C244-F248 VanDerWaalsContact O-CD2 3.24Å; C244-F248 WeakPolarHBondContact O-CD2 3.49Å; C244-F248 PolarHBondContact O-N 3.27Å; C244-F248 VanDerWaalsContact O-N 3.11Å; Q245-F248 PolarHBondContact O-N 3.14Å; T246-F248 VanDerWaalsContact C-N 3.32Å; T246-F248 PolarHBondContact O-N 3.47Å; F248-S252 WeakPolarHBondContact O-CA 3.34Å; F248-S252 VanDerWaalsContact O-CB 3.26Å; F248-S252 WeakPolarHBondContact O-CB 3.49Å; F248-S252 PolarHBondContact O-N 3.07Å
249L87.3Confident85.6Confident13 Ų1348.1 Ų48.17%0.06826%0.261CS..Hα-helixtrans-69.4-42.2179.7-76.1167.7000112.2W242 Q245 T246 W258 I272W242-L249 HydrophobicContact CH2-CD1 4.19Å; Q245-L249 HydrophobicContact CG-CD1 4.15Å; Q245-L249 WeakPolarHBondContact O-CG 3.33Å; Q245-L249 PolarHBondContact O-N 3.23Å; T246-L249 PolarHBondContact O-N 3.21Å; L249-W258 HydrophobicContact CD2-CE3 4.4Å; L249-W258 HydrophobicContact CD2-CH2 3.29Å; L249-W258 HydrophobicContact CD2-CZ2 3.46Å; L249-W258 VanDerWaalsContact CD2-CZ2 3.46Å; L249-W258 HydrophobicContact CD2-CZ3 3.83Å; L249-I272 HydrophobicContact CD2-CD1 4.45Å
250L85.1Confident84.7Confident12 Ų1249 Ų496%0.06327%0.265CS..Hα-helixtrans-85.2-33-174.7-65178.6000113.2L31 I183 T184 C187 T246L31-L250 HydrophobicContact CD2-CB 3.8Å; L31-L250 HydrophobicContact CD2-CD1 3.75Å; L31-L250 HydrophobicContact CD2-CG 4.44Å; I183-L250 HydrophobicContact CG2-CD2 4.05Å; T184-L250 HydrophobicContact CG2-CD1 4.37Å; T184-L250 WeakPolarHBondContact OG1-CD2 3.29Å; C187-L250 HydrophobicContact CB-CD1 4.39Å; T246-L250 HydrophobicContact CG2-CD1 3.6Å; T246-L250 HydrophobicContact CG2-CG 4.11Å; T246-L250 WeakPolarHBondContact O-CB 3.48Å; T246-L250 WeakPolarHBondContact O-CG 3.25Å; T246-L250 PolarHBondContact O-N 2.53Å
251N81.7Confident83.8Confident51 Ų5155.4 Ų55.427%0.27329%0.294SS..SBendtrans-143.876179.2-170.5-0.3000109.9N28 F32 G247 P253N28-N251 PolarHBondContact O-ND2 3.33Å; F32-N251 HydrophobicContact CB-CB 4.19Å; F32-N251 WeakPolarHBondContact CB-O 3.36Å; G247-N251 CarbonylContact O-C 3.55Å; G247-N251 PolarHBondContact O-N 3Å; N251-P253 WeakPolarHBondContact O-CD 3.34Å
252S78.8Confident83.2Confident22 Ų2257.1 Ų57.115%0.15430%0.302CS..  trans-74124.7177.3-165.80000110.1F248 F254 N255F248-S252 WeakPolarHBondContact O-CA 3.34Å; F248-S252 VanDerWaalsContact O-CB 3.26Å; F248-S252 WeakPolarHBondContact O-CB 3.49Å; F248-S252 PolarHBondContact O-N 3.07Å; S252-F254 PolarHBondContact O-N 3.39Å; S252-F254 PolarHBondContact OG-N 3Å; S252-N255 PolarHBondContact OG-N 2.91Å
253P75.5Confident82.8Confident74 Ų7463.9 Ų63.948%0.48133%0.334SS..SBendtrans-70.4-11.7172.727.6-32.9000112.9F32 N251F32-P253 HydrophobicContact CE1-CG 4.31Å; F32-P253 HydrophobicContact CZ-CG 4.38Å; N251-P253 WeakPolarHBondContact O-CD 3.34Å
254F76.9Confident82.5Confident170 Ų17068.6 Ų68.675%0.74636%0.359SS*.SBendtrans-115.5-18.6-171.3-55-61000114.4S252S252-F254 PolarHBondContact O-N 3.39Å; S252-F254 PolarHBondContact OG-N 3Å
255N75Confident82.3Confident106 Ų10671.2 Ų71.257%0.56737%0.368SS*.SBendtrans-126151.5-174.7-70.2-54.5000110.6S252 S257S252-N255 PolarHBondContact OG-N 2.91Å; N255-S257 PolarHBondContact O-N 3Å
256P73.8Confident82.1Confident113 Ų11369.2 Ų69.273%0.73436%0.36SS*.PPolyproline II helixtrans-56.4139.417024.4-32.7000109.8
257S71.5Confident82Confident92 Ų9273.9 Ų73.964%0.64338%0.383SS*.PPolyproline II helixtrans-55.6141.6175.948.50000110.1N255N255-S257 PolarHBondContact O-N 3Å
258W76.2Confident82.1Confident64 Ų6479.7 Ų79.724%0.24241%0.405CS..PPolyproline II helixtrans-66.1143.8177.2-7315000109.6I183 L249 E260 K265 Y268 T269 I272I183-W258 HydrophobicContact CD1-CB 3.96Å; I183-W258 HydrophobicContact CD1-CE3 4.12Å; L249-W258 HydrophobicContact CD2-CE3 4.4Å; L249-W258 HydrophobicContact CD2-CH2 3.29Å; L249-W258 HydrophobicContact CD2-CZ2 3.46Å; L249-W258 VanDerWaalsContact CD2-CZ2 3.46Å; L249-W258 HydrophobicContact CD2-CZ3 3.83Å; W258-E260 PolarHBondContact O-N 3.35Å; W258-K265 HydrophobicContact CD2-CD 4.37Å; W258-K265 HydrophobicContact CE3-CB 3.96Å; W258-K265 HydrophobicContact CE3-CD 4.19Å; W258-K265 HydrophobicContact CE3-CG 4.44Å; W258-K265 HydrophobicContact CZ3-CB 4.41Å; W258-Y268 AromaticContact CH2-CD1 3.42Å; W258-Y268 HydrophobicContact CH2-CD1 3.42Å; W258-Y268 VanDerWaalsContact CH2-CD1 3.42Å; W258-Y268 AromaticContact CH2-CE1 3.76Å; W258-Y268 HydrophobicContact CH2-CE1 3.76Å; W258-Y268 HydrophobicContact CZ2-CD1 4.18Å; W258-Y268 HydrophobicContact CZ2-CE1 4.17Å; W258-Y268 HydrophobicContact CZ3-CD1 4.03Å; W258-T269 WeakPolarHBondContact CZ3-OG1 3.29Å; W258-I272 HydrophobicContact CH2-CD1 3.96Å
259N78.6Confident82.3Confident100 Ų10075.7 Ų75.754%0.53539%0.388SS..  trans-65.8104170.9-177.93.1000108.8I183 H261 D262I183-N259 WeakPolarHBondContact CD1-O 3.39Å; N259-H261 PolarHBondContact O-N 3.15Å; N259-H261 PolarHBondContact OD1-N 3.27Å; N259-D262 HydrophobicContact CB-CB 4.32Å; N259-D262 PolarHBondContact O-N 3.42Å; N259-D262 VanDerWaalsContact O-N 3.14Å
260E77.9Confident82.6Confident17 Ų1777.8 Ų77.88%0.07940%0.401CS..THydrogen-bonded Turntrans-66.3-8.4-171.4-57.1-170.9-133.200114.7N26 N28 P181 H182 T184 W258N26-E260 PolarHBondContact ND2-OE1 3.09Å; N26-E260 VanDerWaalsContact ND2-OE1 3.17Å; N28-E260 PolarHBondContact ND2-OE1 3.32Å; P181-E260 HydrophobicContact CB-CB 3.42Å; P181-E260 VanDerWaalsContact CB-CB 3.42Å; P181-E260 HydrophobicContact CB-CG 4.24Å; P181-E260 WeakPolarHBondContact CB-OE2 3.36Å; P181-E260 HydrophobicContact CG-CB 4.3Å; P181-E260 VanDerWaalsContact CG-OE2 3.25Å; P181-E260 WeakPolarHBondContact CG-OE2 3.31Å; H182-E260 PolarHBondContact N-O 3.11Å; T184-E260 PolarHBondContact OG1-OE2 3.48Å; W258-E260 PolarHBondContact O-N 3.35Å
261H77.7Confident83Confident135 Ų13580.7 Ų80.763%0.62542%0.416SS*.THydrogen-bonded Turntrans-99.7-5.3179.5-59.285.8000113.6N259 H263N259-H261 PolarHBondContact O-N 3.15Å; N259-H261 PolarHBondContact OD1-N 3.27Å; H261-H263 PolarHBondContact O-N 2.96Å
262D83.8Confident83.7Confident53 Ų5379.6 Ų79.628%0.28341%0.41SS..  trans-83.2117.1-177.3-174.31.7000111.1N259 D264 K265 V266N259-D262 HydrophobicContact CB-CB 4.32Å; N259-D262 PolarHBondContact O-N 3.42Å; N259-D262 VanDerWaalsContact O-N 3.14Å; D262-D264 PolarHBondContact O-N 2.68Å; D262-D264 PolarHBondContact OD1-N 3.35Å; D262-D264 VanDerWaalsContact OD1-N 3.13Å; D262-K265 HydrophobicContact CB-CB 4.38Å; D262-K265 HydrophobicContact CB-CG 3.78Å; D262-K265 WeakPolarHBondContact O-CB 3.46Å; D262-K265 PolarHBondContact O-N 3.08Å; D262-V266 PolarHBondContact O-N 2.92Å
263H87.9Confident84.4Confident142 Ų14279.5 Ų79.566%0.65741%0.407SS*.Hα-helixtrans-61.8-33.3-179.8-174.272.8000112.3H261 K265 V266 M267H261-H263 PolarHBondContact O-N 2.96Å; H263-K265 PolarHBondContact O-N 3.16Å; H263-V266 WeakPolarHBondContact O-CB 3.47Å; H263-V266 PolarHBondContact O-N 2.95Å; H263-V266 VanDerWaalsContact O-N 3.12Å; H263-M267 PolarHBondContact O-N 3.18Å
264D89.2Confident85.4Confident103 Ų10380.1 Ų80.155%0.55141%0.409SS*.Hα-helixtrans-64-33.8179.7-71.5-14.4000111.1D262 M267 Y268D262-D264 PolarHBondContact O-N 2.68Å; D262-D264 PolarHBondContact OD1-N 3.35Å; D262-D264 VanDerWaalsContact OD1-N 3.13Å; D264-M267 PolarHBondContact O-N 3.06Å; D264-Y268 WeakPolarHBondContact O-CB 3.12Å; D264-Y268 PolarHBondContact O-N 3.48Å
265K88.4Confident86.3Confident76 Ų7680.2 Ų80.233%0.3341%0.405SS..Hα-helixtrans-70.3-36.5176-58.3-61.8178.4-1740112I183 W258 D262 H263 Y268 T269I183-K265 HydrophobicContact CD1-CB 3.45Å; I183-K265 VanDerWaalsContact CD1-CB 3.45Å; I183-K265 HydrophobicContact CD1-CG 4.27Å; I183-K265 HydrophobicContact CG1-CB 4.26Å; W258-K265 HydrophobicContact CD2-CD 4.37Å; W258-K265 HydrophobicContact CE3-CB 3.96Å; W258-K265 HydrophobicContact CE3-CD 4.19Å; W258-K265 HydrophobicContact CE3-CG 4.44Å; W258-K265 HydrophobicContact CZ3-CB 4.41Å; D262-K265 HydrophobicContact CB-CB 4.38Å; D262-K265 HydrophobicContact CB-CG 3.78Å; D262-K265 WeakPolarHBondContact O-CB 3.46Å; D262-K265 PolarHBondContact O-N 3.08Å; H263-K265 PolarHBondContact O-N 3.16Å; K265-Y268 PolarHBondContact O-N 3.39Å; K265-T269 PolarHBondContact O-N 3.1Å; K265-T269 PolarHBondContact O-OG1 3.01Å
266V89.4Confident87.3Confident22 Ų2276.5 Ų76.513%0.13338%0.384CS..Hα-helixtrans-62.3-47.7173.7177.10000110.4H182 I183 T186 D262 H263 Y268 T269 T270H182-V266 HydrophobicContact CB-CG2 3.78Å; I183-V266 HydrophobicContact CG1-CG2 3.87Å; T186-V266 HydrophobicContact CG2-CG1 4.15Å; T186-V266 WeakPolarHBondContact OG1-CG1 3.23Å; D262-V266 PolarHBondContact O-N 2.92Å; H263-V266 WeakPolarHBondContact O-CB 3.47Å; H263-V266 PolarHBondContact O-N 2.95Å; H263-V266 VanDerWaalsContact O-N 3.12Å; V266-Y268 VanDerWaalsContact C-N 3.33Å; V266-Y268 PolarHBondContact O-N 2.72Å; V266-T269 WeakPolarHBondContact O-CB 3.24Å; V266-T269 PolarHBondContact O-N 3.27Å; V266-T270 PolarHBondContact O-N 3.37Å
267M90.4Very high88.3Confident102 Ų10273.2 Ų73.250%0.50236%0.359SS..Hα-helixtrans-59.1-45.9176.1-175.4-179.766.100110.9H263 D264 T269 T270 I271H263-M267 PolarHBondContact O-N 3.18Å; D264-M267 PolarHBondContact O-N 3.06Å; M267-T269 VanDerWaalsContact C-N 3.34Å; M267-T269 PolarHBondContact O-N 3.49Å; M267-T270 PolarHBondContact O-N 2.91Å; M267-T270 VanDerWaalsContact O-N 3.15Å; M267-T270 PolarHBondContact O-OG1 2.97Å; M267-I271 HydrophobicContact CG-CD1 4.26Å; M267-I271 PolarHBondContact O-N 3.34Å; M267-I271 VanDerWaalsContact O-N 3.15Å
268Y91.8Very high89.5Confident122 Ų12272.2 Ų72.248%0.47835%0.346SS..Hα-helixtrans-61.6-38.6178.6-172.4-113.3000113.1W258 D264 K265 V266 T270 I271 I272W258-Y268 AromaticContact CH2-CD1 3.42Å; W258-Y268 HydrophobicContact CH2-CD1 3.42Å; W258-Y268 VanDerWaalsContact CH2-CD1 3.42Å; W258-Y268 AromaticContact CH2-CE1 3.76Å; W258-Y268 HydrophobicContact CH2-CE1 3.76Å; W258-Y268 HydrophobicContact CZ2-CD1 4.18Å; W258-Y268 HydrophobicContact CZ2-CE1 4.17Å; W258-Y268 HydrophobicContact CZ3-CD1 4.03Å; D264-Y268 WeakPolarHBondContact O-CB 3.12Å; D264-Y268 PolarHBondContact O-N 3.48Å; K265-Y268 PolarHBondContact O-N 3.39Å; V266-Y268 VanDerWaalsContact C-N 3.33Å; V266-Y268 PolarHBondContact O-N 2.72Å; Y268-T270 VanDerWaalsContact C-N 3.31Å; Y268-T270 PolarHBondContact O-N 3.22Å; Y268-I271 PolarHBondContact O-N 3.14Å; Y268-I272 HydrophobicContact CD1-CD1 3.52Å; Y268-I272 HydrophobicContact CD1-CG1 4.28Å; Y268-I272 HydrophobicContact CE1-CD1 3.2Å; Y268-I272 HydrophobicContact CE1-CG1 3.95Å; Y268-I272 HydrophobicContact CE2-CG1 4.44Å; Y268-I272 HydrophobicContact CG-CD1 4.31Å; Y268-I272 WeakPolarHBondContact O-CG1 3.21Å; Y268-I272 PolarHBondContact O-N 3.3Å
269T92Very high90.5Very high0 Ų076.1 Ų76.10%037%0.365CS..Hα-helixtrans-56.6-43.8173.2-64.10000111.9L190 W242 W258 K265 V266 M267 I271 I272 F273L190-T269 HydrophobicContact CD1-CG2 4.36Å; W242-T269 HydrophobicContact CH2-CG2 4.27Å; W242-T269 HydrophobicContact CZ2-CG2 4.24Å; W258-T269 WeakPolarHBondContact CZ3-OG1 3.29Å; K265-T269 PolarHBondContact O-N 3.1Å; K265-T269 PolarHBondContact O-OG1 3.01Å; V266-T269 WeakPolarHBondContact O-CB 3.24Å; V266-T269 PolarHBondContact O-N 3.27Å; M267-T269 VanDerWaalsContact C-N 3.34Å; M267-T269 PolarHBondContact O-N 3.49Å; T269-I271 VanDerWaalsContact C-N 3.35Å; T269-I271 PolarHBondContact O-N 3.04Å; T269-I272 PolarHBondContact O-N 3.39Å; T269-F273 WeakPolarHBondContact O-CB 3.48Å; T269-F273 PolarHBondContact O-N 3.46Å
270T92.9Very high91.2Very high57 Ų5771.7 Ų71.735%0.3534%0.342SS..Hα-helixtrans-67.5-34.8178.467.50000112.6T186 V266 M267 Y268 F273 V274T186-T270 HydrophobicContact CG2-CG2 4.26Å; V266-T270 PolarHBondContact O-N 3.37Å; M267-T270 PolarHBondContact O-N 2.91Å; M267-T270 VanDerWaalsContact O-N 3.15Å; M267-T270 PolarHBondContact O-OG1 2.97Å; Y268-T270 VanDerWaalsContact C-N 3.31Å; Y268-T270 PolarHBondContact O-N 3.22Å; T270-F273 WeakPolarHBondContact O-CB 3.19Å; T270-F273 PolarHBondContact O-N 3.43Å; T270-V274 WeakPolarHBondContact O-CG2 3.41Å; T270-V274 PolarHBondContact O-N 2.87Å
271I94.6Very high92Very high73 Ų7374.4 Ų74.437%0.37436%0.355SS..Hα-helixtrans-65.8-46.2174.8-66168.3000110.1M267 Y268 T269 F273 V274 W275M267-I271 HydrophobicContact CG-CD1 4.26Å; M267-I271 PolarHBondContact O-N 3.34Å; M267-I271 VanDerWaalsContact O-N 3.15Å; Y268-I271 PolarHBondContact O-N 3.14Å; T269-I271 VanDerWaalsContact C-N 3.35Å; T269-I271 PolarHBondContact O-N 3.04Å; I271-F273 VanDerWaalsContact C-N 3.29Å; I271-F273 PolarHBondContact O-N 3.24Å; I271-V274 PolarHBondContact O-N 3.48Å; I271-W275 PolarHBondContact O-N 3.39Å
272I94.7Very high92.8Very high29 Ų2972 Ų7215%0.14935%0.346CS..Hα-helixtrans-59.4-42.6175.7-65.3164.3000110.4W242 L249 W258 Y268 T269 V274 W275 H276W242-I272 HydrophobicContact CZ3-CG2 4.12Å; L249-I272 HydrophobicContact CD2-CD1 4.45Å; W258-I272 HydrophobicContact CH2-CD1 3.96Å; Y268-I272 HydrophobicContact CD1-CD1 3.52Å; Y268-I272 HydrophobicContact CD1-CG1 4.28Å; Y268-I272 HydrophobicContact CE1-CD1 3.2Å; Y268-I272 HydrophobicContact CE1-CG1 3.95Å; Y268-I272 HydrophobicContact CE2-CG1 4.44Å; Y268-I272 HydrophobicContact CG-CD1 4.31Å; Y268-I272 WeakPolarHBondContact O-CG1 3.21Å; Y268-I272 PolarHBondContact O-N 3.3Å; T269-I272 PolarHBondContact O-N 3.39Å; I272-V274 VanDerWaalsContact C-N 3.33Å; I272-V274 PolarHBondContact O-N 3.04Å; I272-W275 PolarHBondContact O-N 2.91Å; I272-H276 VanDerWaalsContact O-CB 3.25Å; I272-H276 WeakPolarHBondContact O-CB 3.1Å; I272-H276 PolarHBondContact O-N 2.97Å
273F95.2Very high93.3Very high20 Ų2071.6 Ų71.69%0.08835%0.351CS..Hα-helixtrans-54.5-47.3177.5-178-101.1000112.2L190 W194 F238 W242 T269 T270 I271 H276 M277L190-F273 HydrophobicContact CB-CD2 4.29Å; L190-F273 HydrophobicContact CB-CE2 4.02Å; L190-F273 HydrophobicContact CB-CZ 4.46Å; L190-F273 HydrophobicContact CD1-CB 4.2Å; L190-F273 HydrophobicContact CD1-CD2 4.04Å; L190-F273 HydrophobicContact CD1-CG 4.07Å; L190-F273 HydrophobicContact CD2-CD1 4.07Å; L190-F273 HydrophobicContact CD2-CD2 4.41Å; L190-F273 HydrophobicContact CD2-CE1 4.04Å; L190-F273 HydrophobicContact CD2-CE2 4.35Å; L190-F273 HydrophobicContact CD2-CG 4.26Å; L190-F273 HydrophobicContact CD2-CZ 4.17Å; L190-F273 HydrophobicContact CG-CD2 4.49Å; W194-F273 HydrophobicContact CD2-CZ 4.49Å; W194-F273 AromaticContact CE3-CZ 3.96Å; W194-F273 HydrophobicContact CE3-CZ 3.96Å; F238-F273 HydrophobicContact CE1-CD2 4.18Å; F238-F273 HydrophobicContact CE1-CE1 4.44Å; F238-F273 AromaticContact CE1-CE2 3.39Å; F238-F273 HydrophobicContact CE1-CE2 3.39Å; F238-F273 AromaticContact CE1-CZ 3.53Å; F238-F273 HydrophobicContact CE1-CZ 3.53Å; F238-F273 AromaticContact CZ-CD2 3.66Å; F238-F273 HydrophobicContact CZ-CD2 3.66Å; F238-F273 HydrophobicContact CZ-CE1 4.28Å; F238-F273 AromaticContact CZ-CE2 3.34Å; F238-F273 HydrophobicContact CZ-CE2 3.34Å; F238-F273 HydrophobicContact CZ-CG 4.29Å; F238-F273 AromaticContact CZ-CZ 3.68Å; F238-F273 HydrophobicContact CZ-CZ 3.68Å; W242-F273 AromaticContact CD1-CE2 3.82Å; W242-F273 AromaticContact CD2-CD2 3.53Å; W242-F273 HydrophobicContact CD2-CD2 3.53Å; W242-F273 AromaticContact CD2-CE2 3.98Å; W242-F273 HydrophobicContact CD2-CE2 3.98Å; W242-F273 AromaticContact CE2-CD2 3.35Å; W242-F273 AromaticContact CE2-CE2 3.89Å; W242-F273 AromaticContact CE3-CD2 3.87Å; W242-F273 HydrophobicContact CE3-CD2 3.87Å; W242-F273 HydrophobicContact CG-CD2 4.05Å; W242-F273 AromaticContact CG-CE2 3.99Å; W242-F273 HydrophobicContact CG-CE2 3.99Å; W242-F273 HydrophobicContact CH2-CB 3.72Å; W242-F273 AromaticContact CH2-CD2 3.9Å; W242-F273 HydrophobicContact CH2-CD2 3.9Å; W242-F273 HydrophobicContact CH2-CG 4.34Å; W242-F273 HydrophobicContact CZ2-CB 4.07Å; W242-F273 AromaticContact CZ2-CD2 3.57Å; W242-F273 HydrophobicContact CZ2-CD2 3.57Å; W242-F273 HydrophobicContact CZ2-CE2 4.47Å; W242-F273 HydrophobicContact CZ2-CG 4.29Å; W242-F273 HydrophobicContact CZ3-CB 4.05Å; W242-F273 HydrophobicContact CZ3-CD2 4.04Å; W242-F273 AromaticContact NE1-CD2 3.72Å; W242-F273 AromaticContact NE1-CE2 3.77Å; T269-F273 WeakPolarHBondContact O-CB 3.48Å; T269-F273 PolarHBondContact O-N 3.46Å; T270-F273 WeakPolarHBondContact O-CB 3.19Å; T270-F273 PolarHBondContact O-N 3.43Å; I271-F273 VanDerWaalsContact C-N 3.29Å; I271-F273 PolarHBondContact O-N 3.24Å; F273-H276 PolarHBondContact O-N 3.25Å; F273-M277 HydrophobicContact CD1-CE 3.77Å; F273-M277 HydrophobicContact CD1-SD 4.49Å; F273-M277 HydrophobicContact CE1-CE 3.68Å; F273-M277 HydrophobicContact CE1-SD 3.94Å; F273-M277 HydrophobicContact CZ-SD 4.46Å; F273-M277 PolarHBondContact O-N 3.41Å
274V95.6Very high93.5Very high86 Ų8665.1 Ų65.152%0.52132%0.321SS..Hα-helixtrans-67.1-43.7179176.40000112T270 I271 I272 H276 M277 L278T270-V274 WeakPolarHBondContact O-CG2 3.41Å; T270-V274 PolarHBondContact O-N 2.87Å; I271-V274 PolarHBondContact O-N 3.48Å; I272-V274 VanDerWaalsContact C-N 3.33Å; I272-V274 PolarHBondContact O-N 3.04Å; V274-H276 VanDerWaalsContact C-N 3.3Å; V274-H276 PolarHBondContact O-N 3.48Å; V274-M277 HydrophobicContact CB-CE 4.27Å; V274-M277 HydrophobicContact CG2-CE 3.95Å; V274-M277 WeakPolarHBondContact O-CB 3.43Å; V274-M277 PolarHBondContact O-N 3.47Å; V274-L278 PolarHBondContact O-N 3.32Å; V274-L278 VanDerWaalsContact O-N 3.1Å
275W96.8Very high93.6Very high172 Ų17264.6 Ų64.665%0.65232%0.317SS*.Hα-helixtrans-63.6-36.6175.9-85.1103.7000112.6I271 I272 M277 L278 F279I271-W275 PolarHBondContact O-N 3.39Å; I272-W275 PolarHBondContact O-N 2.91Å; W275-M277 VanDerWaalsContact C-N 3.34Å; W275-L278 HydrophobicContact CE3-CD2 3.83Å; W275-L278 HydrophobicContact CH2-CD2 4.48Å; W275-L278 HydrophobicContact CZ3-CD2 3.65Å; W275-L278 PolarHBondContact O-N 2.8Å; W275-F279 WeakPolarHBondContact O-CB 3.23Å; W275-F279 PolarHBondContact O-N 3.44Å
276H95.9Very high93.8Very high29 Ų2964.3 Ų64.313%0.13432%0.322CS..Hα-helixtrans-64.1-40.3175.3-164.7126.3000110.7F238 S241 W242 I272 F273 V274 L278 F279 V280F238-H276 AromaticContact CD2-CD2 3.66Å; F238-H276 HydrophobicContact CE2-CB 3.97Å; F238-H276 AromaticContact CE2-CD2 3.49Å; F238-H276 VanDerWaalsContact CE2-CD2 3.49Å; F238-H276 WeakPolarHBondContact CE2-CD2 3.34Å; F238-H276 AromaticContact CE2-CG 3.99Å; S241-H276 VanDerWaalsContact CB-NE2 3.32Å; S241-H276 WeakPolarHBondContact CB-NE2 3.31Å; S241-H276 PolarHBondContact OG-NE2 3.33Å; W242-H276 HydrophobicContact CE3-CB 4.37Å; W242-H276 HydrophobicContact CZ3-CB 4.48Å; I272-H276 VanDerWaalsContact O-CB 3.25Å; I272-H276 WeakPolarHBondContact O-CB 3.1Å; I272-H276 PolarHBondContact O-N 2.97Å; F273-H276 PolarHBondContact O-N 3.25Å; V274-H276 VanDerWaalsContact C-N 3.3Å; V274-H276 PolarHBondContact O-N 3.48Å; H276-L278 PolarHBondContact O-N 2.94Å; H276-F279 PolarHBondContact O-N 3.39Å; H276-V280 WeakPolarHBondContact O-CG2 3.42Å; H276-V280 PolarHBondContact O-N 3.28Å
277M94.9Very high93.9Very high44 Ų4465.8 Ų65.822%0.21733%0.328CS..Hα-helixtrans-59.7-47.4174-74.1-169.2-7300111.1W194 F234 F238 F273 V274 W275 F279 V280 M281W194-M277 HydrophobicContact CE3-SD 4.3Å; W194-M277 HydrophobicContact CH2-CG 4.29Å; W194-M277 HydrophobicContact CH2-SD 3.53Å; W194-M277 VanDerWaalsContact CH2-SD 3.53Å; W194-M277 HydrophobicContact CZ3-CG 4.5Å; W194-M277 HydrophobicContact CZ3-SD 3.39Å; W194-M277 WeakPolarHBondContact CZ3-SD 3.44Å; F234-M277 HydrophobicContact CZ-CB 4.43Å; F238-M277 HydrophobicContact CD1-CG 4.34Å; F238-M277 HydrophobicContact CD2-CB 4.24Å; F238-M277 HydrophobicContact CD2-CG 3.7Å; F238-M277 HydrophobicContact CE1-CG 3.83Å; F238-M277 HydrophobicContact CE1-SD 4.48Å; F238-M277 VanDerWaalsContact CE2-CA 3.49Å; F238-M277 HydrophobicContact CE2-CB 3.9Å; F238-M277 HydrophobicContact CE2-CG 3.17Å; F238-M277 VanDerWaalsContact CE2-N 3.29Å; F238-M277 HydrophobicContact CG-CG 4.25Å; F238-M277 HydrophobicContact CZ-CB 4.37Å; F238-M277 HydrophobicContact CZ-CG 3.2Å; F238-M277 HydrophobicContact CZ-SD 4.26Å; F273-M277 HydrophobicContact CD1-CE 3.77Å; F273-M277 HydrophobicContact CD1-SD 4.49Å; F273-M277 HydrophobicContact CE1-CE 3.68Å; F273-M277 HydrophobicContact CE1-SD 3.94Å; F273-M277 HydrophobicContact CZ-SD 4.46Å; F273-M277 PolarHBondContact O-N 3.41Å; V274-M277 HydrophobicContact CB-CE 4.27Å; V274-M277 HydrophobicContact CG2-CE 3.95Å; V274-M277 WeakPolarHBondContact O-CB 3.43Å; V274-M277 PolarHBondContact O-N 3.47Å; W275-M277 VanDerWaalsContact C-N 3.34Å; M277-F279 VanDerWaalsContact C-N 3.35Å; M277-F279 PolarHBondContact O-N 3.34Å; M277-V280 PolarHBondContact O-N 2.82Å; M277-M281 WeakPolarHBondContact O-CB 3.41Å; M277-M281 PolarHBondContact O-N 2.87Å
278L95.9Very high93.8Very high70 Ų7062.1 Ų62.137%0.36631%0.311SS..Hα-helixtrans-59.9-45.4178-177.367.1000111.4V274 W275 H276 M281 I282V274-L278 PolarHBondContact O-N 3.32Å; V274-L278 VanDerWaalsContact O-N 3.1Å; W275-L278 HydrophobicContact CE3-CD2 3.83Å; W275-L278 HydrophobicContact CH2-CD2 4.48Å; W275-L278 HydrophobicContact CZ3-CD2 3.65Å; W275-L278 PolarHBondContact O-N 2.8Å; H276-L278 PolarHBondContact O-N 2.94Å; L278-M281 HydrophobicContact CD1-CE 3.84Å; L278-M281 PolarHBondContact O-N 2.83Å; L278-I282 HydrophobicContact CD1-CD1 4.13Å; L278-I282 HydrophobicContact CG-CD1 3.89Å; L278-I282 VanDerWaalsContact O-CG1 3.3Å; L278-I282 WeakPolarHBondContact O-CG1 3.49Å; L278-I282 PolarHBondContact O-N 3.37Å
279F96Very high93.6Very high146 Ų14661.1 Ų61.164%0.6431%0.313SS*.Hα-helixtrans-61.1-47.2178.7179.1-98.4000112.2W275 H276 M277 M281 I282 A283W275-F279 WeakPolarHBondContact O-CB 3.23Å; W275-F279 PolarHBondContact O-N 3.44Å; H276-F279 PolarHBondContact O-N 3.39Å; M277-F279 VanDerWaalsContact C-N 3.35Å; M277-F279 PolarHBondContact O-N 3.34Å; F279-M281 VanDerWaalsContact C-N 3.32Å; F279-M281 PolarHBondContact O-N 3.4Å; F279-I282 PolarHBondContact O-N 3.08Å; F279-A283 WeakPolarHBondContact O-CB 3.43Å; F279-A283 PolarHBondContact O-N 3.02Å
280V94.8Very high93.5Very high8 Ų865.5 Ų65.55%0.04834%0.336CS..Hα-helixtrans-62.8-40.5178.4172.90000111.1F234 I237 F238 H276 M277 A283 Q284F234-V280 HydrophobicContact CD2-CG1 3.94Å; F234-V280 HydrophobicContact CE2-CB 4.18Å; F234-V280 HydrophobicContact CE2-CG1 3.94Å; I237-V280 HydrophobicContact CB-CG1 4.36Å; I237-V280 HydrophobicContact CG2-CG1 3.81Å; F238-V280 HydrophobicContact CB-CG1 4.15Å; F238-V280 HydrophobicContact CD2-CB 4.35Å; F238-V280 HydrophobicContact CD2-CG2 4.1Å; H276-V280 WeakPolarHBondContact O-CG2 3.42Å; H276-V280 PolarHBondContact O-N 3.28Å; M277-V280 PolarHBondContact O-N 2.82Å; V280-A283 PolarHBondContact O-N 2.99Å; V280-Q284 WeakPolarHBondContact O-CG 3.15Å; V280-Q284 PolarHBondContact O-N 3.29Å
281M94.3Very high93.1Very high74 Ų7464 Ų6437%0.36533%0.327SS..Hα-helixtrans-62.9-45.9177.1-171.6-177.56700111.7W230 F234 M277 L278 F279 Q284 L285W230-M281 HydrophobicContact CH2-CG 3.81Å; W230-M281 HydrophobicContact CH2-SD 4.11Å; W230-M281 HydrophobicContact CZ2-CG 3.7Å; F234-M281 HydrophobicContact CD2-CB 4.32Å; F234-M281 HydrophobicContact CE2-CB 3.8Å; M277-M281 WeakPolarHBondContact O-CB 3.41Å; M277-M281 PolarHBondContact O-N 2.87Å; L278-M281 HydrophobicContact CD1-CE 3.84Å; L278-M281 PolarHBondContact O-N 2.83Å; F279-M281 VanDerWaalsContact C-N 3.32Å; F279-M281 PolarHBondContact O-N 3.4Å; M281-Q284 PolarHBondContact O-N 3.28Å; M281-L285 PolarHBondContact O-N 2.77Å
282I95.3Very high92.7Very high83 Ų8361 Ų6143%0.42631%0.312SS..Hα-helixtrans-63.3-44.7176.4-68168000110.5L278 F279 Q284 L285 V286L278-I282 HydrophobicContact CD1-CD1 4.13Å; L278-I282 HydrophobicContact CG-CD1 3.89Å; L278-I282 VanDerWaalsContact O-CG1 3.3Å; L278-I282 WeakPolarHBondContact O-CG1 3.49Å; L278-I282 PolarHBondContact O-N 3.37Å; F279-I282 PolarHBondContact O-N 3.08Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 3.07Å; I282-L285 WeakPolarHBondContact O-CB 3.34Å; I282-L285 PolarHBondContact O-N 2.98Å; I282-L285 VanDerWaalsContact O-N 3.16Å; I282-V286 HydrophobicContact CG2-CG2 4.23Å; I282-V286 WeakPolarHBondContact O-CG2 3.48Å; I282-V286 PolarHBondContact O-N 2.85Å
283A93.8Very high92.2Very high46 Ų4668 Ų6838%0.3834%0.342SS..Hα-helixtrans-59.5-42.217900000111.9F279 V280 V286 L287F279-A283 WeakPolarHBondContact O-CB 3.43Å; F279-A283 PolarHBondContact O-N 3.02Å; V280-A283 PolarHBondContact O-N 2.99Å; A283-V286 PolarHBondContact O-N 3.32Å; A283-L287 WeakPolarHBondContact O-CB 3.25Å; A283-L287 PolarHBondContact O-N 3.11Å
284Q91.8Very high91.8Very high6 Ų672 Ų723%0.02837%0.371CS..Hα-helixtrans-65.6-40.5174.6-75.5-170.2-18.600113.2C233 F234 I237 V280 M281 I282 L287 L288C233-Q284 VanDerWaalsContact C-NE2 3.28Å; C233-Q284 PolarHBondContact O-NE2 3.28Å; F234-Q284 VanDerWaalsContact CB-OE1 3.24Å; F234-Q284 VanDerWaalsContact N-NE2 3.16Å; I237-Q284 HydrophobicContact CD1-CG 4.5Å; V280-Q284 WeakPolarHBondContact O-CG 3.15Å; V280-Q284 PolarHBondContact O-N 3.29Å; M281-Q284 PolarHBondContact O-N 3.28Å; I282-Q284 VanDerWaalsContact C-N 3.32Å; I282-Q284 PolarHBondContact O-N 3.07Å; Q284-L287 PolarHBondContact O-N 3.48Å; Q284-L288 PolarHBondContact O-N 3.05Å
285L91.7Very high91.1Very high92 Ų9273.4 Ų73.448%0.48237%0.368SS..Hα-helixtrans-62.8-45.5175.9-178.765.3000111.1M281 I282 L287 L288 L289M281-L285 PolarHBondContact O-N 2.77Å; I282-L285 WeakPolarHBondContact O-CB 3.34Å; I282-L285 PolarHBondContact O-N 2.98Å; I282-L285 VanDerWaalsContact O-N 3.16Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 2.72Å; L285-L288 WeakPolarHBondContact O-CB 3.33Å; L285-L288 PolarHBondContact O-N 3.1Å; L285-L289 HydrophobicContact CG-CD1 4.47Å; L285-L289 WeakPolarHBondContact O-CG 3.37Å; L285-L289 PolarHBondContact O-N 3.42Å
286V92.3Very high89.9Confident69 Ų6968.3 Ų68.342%0.41837%0.369SS..Hα-helixtrans-60.3-44.5175.6170.70000110.6I282 A283 L288 L289 I290I282-V286 HydrophobicContact CG2-CG2 4.23Å; I282-V286 WeakPolarHBondContact O-CG2 3.48Å; I282-V286 PolarHBondContact O-N 2.85Å; A283-V286 PolarHBondContact O-N 3.32Å; V286-L288 VanDerWaalsContact C-N 3.33Å; V286-L288 PolarHBondContact O-N 3.21Å; V286-L289 PolarHBondContact O-N 3.27Å; V286-I290 HydrophobicContact CG1-CD1 3.74Å; V286-I290 HydrophobicContact CG1-CG1 4.31Å; V286-I290 VanDerWaalsContact O-CG1 3.28Å; V286-I290 WeakPolarHBondContact O-CG1 3.42Å; V286-I290 PolarHBondContact O-N 3.5Å
287L90.1Very high88.6Confident53 Ų5369 Ų6928%0.27738%0.375SS..Hα-helixtrans-62.1-40.2176.6-177.257.2000112A283 Q284 L285 L289 I290 V291A283-L287 WeakPolarHBondContact O-CB 3.25Å; A283-L287 PolarHBondContact O-N 3.11Å; Q284-L287 PolarHBondContact O-N 3.48Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 2.72Å; L287-L289 VanDerWaalsContact C-N 3.35Å; L287-L289 PolarHBondContact O-N 3.26Å; L287-I290 PolarHBondContact O-N 3.15Å; L287-V291 HydrophobicContact CD1-CG2 4.24Å; L287-V291 VanDerWaalsContact O-CG2 3.31Å; L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 3.37Å
288L88.5Confident87Confident26 Ų2670.3 Ų70.314%0.13639%0.388CS..Hα-helixtrans-59.5-45.6173.4-173.9146.6000111.6W50 L54 L226 Q284 L285 V286 V291 A292W50-L288 HydrophobicContact CH2-CD1 3.98Å; W50-L288 HydrophobicContact CZ2-CB 4.12Å; W50-L288 HydrophobicContact CZ2-CD1 4.1Å; L54-L288 HydrophobicContact CD2-CD1 4.49Å; L54-L288 HydrophobicContact CD2-CG 4.4Å; L226-L288 HydrophobicContact CD2-CD1 4.45Å; Q284-L288 PolarHBondContact O-N 3.05Å; L285-L288 WeakPolarHBondContact O-CB 3.33Å; L285-L288 PolarHBondContact O-N 3.1Å; V286-L288 VanDerWaalsContact C-N 3.33Å; V286-L288 PolarHBondContact O-N 3.21Å; L288-V291 PolarHBondContact O-N 3.47Å; L288-A292 WeakPolarHBondContact O-CB 3.06Å; L288-A292 PolarHBondContact O-N 3.04Å
289L88.7Confident85.2Confident101 Ų10171.9 Ų71.953%0.52940%0.403SS..Hα-helixtrans-66-41.3179.3-69174.6000112.2L285 V286 L287 A292 K293L285-L289 HydrophobicContact CG-CD1 4.47Å; L285-L289 WeakPolarHBondContact O-CG 3.37Å; L285-L289 PolarHBondContact O-N 3.42Å; V286-L289 PolarHBondContact O-N 3.27Å; L287-L289 VanDerWaalsContact C-N 3.35Å; L287-L289 PolarHBondContact O-N 3.26Å; L289-A292 PolarHBondContact O-N 3.49Å; L289-K293 WeakPolarHBondContact O-CB 3.26Å; L289-K293 PolarHBondContact O-N 3.17Å
290I89.2Confident83.2Confident91 Ų9168.7 Ų68.747%0.46739%0.392SS..Hα-helixtrans-59.8-50175.1-69.7166.8000109.6V286 L287 A292 K293 C294V286-I290 HydrophobicContact CG1-CD1 3.74Å; V286-I290 HydrophobicContact CG1-CG1 4.31Å; V286-I290 VanDerWaalsContact O-CG1 3.28Å; V286-I290 WeakPolarHBondContact O-CG1 3.42Å; V286-I290 PolarHBondContact O-N 3.5Å; L287-I290 PolarHBondContact O-N 3.15Å; I290-A292 PolarHBondContact O-N 3.38Å; I290-K293 PolarHBondContact O-N 3.39Å; I290-C294 PolarHBondContact O-N 2.94Å; I290-C294 PolarHBondContact O-SG 2.7Å
291V85.9Confident81.4Confident27 Ų2773.8 Ų73.816%0.16441%0.411CS..Hα-helixtrans-65-42-179.8178.40000111.1L54 Y58 L287 L288 K293 C294 Y295L54-V291 HydrophobicContact CB-CG1 4.22Å; L54-V291 HydrophobicContact CD1-CB 4.17Å; L54-V291 HydrophobicContact CD1-CG1 4.38Å; L54-V291 HydrophobicContact CD1-CG2 3.9Å; Y58-V291 HydrophobicContact CD2-CG1 3.59Å; Y58-V291 HydrophobicContact CE2-CB 4.26Å; Y58-V291 HydrophobicContact CE2-CG1 3.49Å; Y58-V291 VanDerWaalsContact CE2-CG1 3.49Å; L287-V291 HydrophobicContact CD1-CG2 4.24Å; L287-V291 VanDerWaalsContact O-CG2 3.31Å; L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 3.37Å; L288-V291 PolarHBondContact O-N 3.47Å; V291-K293 VanDerWaalsContact C-N 3.29Å; V291-K293 PolarHBondContact O-N 2.93Å; V291-C294 PolarHBondContact O-N 3.05Å; V291-Y295 HydrophobicContact CG1-CD2 3.56Å; V291-Y295 HydrophobicContact CG1-CE2 3.61Å; V291-Y295 WeakPolarHBondContact O-CD2 3.5Å; V291-Y295 PolarHBondContact O-N 3.27Å
292A84.5Confident79.5Confident9 Ų975.9 Ų75.97%0.07443%0.428CS..Hα-helixtrans-55.7-44.7174.400000112.1Y58 L288 L289 I290 Y295 G296 V297Y58-A292 HydrophobicContact CE1-CB 4.48Å; Y58-A292 WeakPolarHBondContact OH-CA 3.34Å; Y58-A292 VanDerWaalsContact OH-CB 3.24Å; Y58-A292 WeakPolarHBondContact OH-CB 3.33Å; L288-A292 WeakPolarHBondContact O-CB 3.06Å; L288-A292 PolarHBondContact O-N 3.04Å; L289-A292 PolarHBondContact O-N 3.49Å; I290-A292 PolarHBondContact O-N 3.38Å; A292-Y295 PolarHBondContact O-N 3.15Å; A292-G296 PolarHBondContact O-N 2.93Å; A292-V297 PolarHBondContact O-N 3.36Å; A292-V297 VanDerWaalsContact O-N 3.1Å
293K86Confident77.3Confident177 Ų17777.5 Ų77.577%0.7743%0.433SS*.Hα-helixtrans-66.2-42.4177.3-171.4177.3179.2177.60111.9L289 I290 V291 Y295 G296L289-K293 WeakPolarHBondContact O-CB 3.26Å; L289-K293 PolarHBondContact O-N 3.17Å; I290-K293 PolarHBondContact O-N 3.39Å; V291-K293 VanDerWaalsContact C-N 3.29Å; V291-K293 PolarHBondContact O-N 2.93Å; K293-Y295 VanDerWaalsContact C-N 3.32Å; K293-Y295 PolarHBondContact O-N 3.41Å; K293-G296 PolarHBondContact O-N 3.31Å; K293-G296 VanDerWaalsContact O-N 3.15Å
294C85.4Confident75.3Confident104 Ų10478.9 Ų78.970%0.70344%0.44SS*.Hα-helixtrans-64-34.1177.8-710000113.1I290 V291 G296I290-C294 PolarHBondContact O-N 2.94Å; I290-C294 PolarHBondContact O-SG 2.7Å; V291-C294 PolarHBondContact O-N 3.05Å; C294-G296 VanDerWaalsContact C-N 3.27Å; C294-G296 PolarHBondContact O-N 3.01Å
295Y80.6Confident73.4Confident115 Ų11582.8 Ų82.845%0.45147%0.465SS..THydrogen-bonded Turntrans-84.85.1176-79.7-81.3000113.8Y58 V291 A292 K293 V297Y58-Y295 HydrophobicContact CD1-CD2 4.41Å; Y58-Y295 HydrophobicContact CD1-CG 4.24Å; Y58-Y295 AromaticContact CD2-CD2 3.75Å; Y58-Y295 HydrophobicContact CD2-CD2 3.75Å; Y58-Y295 HydrophobicContact CD2-CE2 4.11Å; Y58-Y295 HydrophobicContact CD2-CG 4.34Å; Y58-Y295 HydrophobicContact CG-CD1 4.44Å; Y58-Y295 AromaticContact CG-CD2 3.69Å; Y58-Y295 HydrophobicContact CG-CD2 3.69Å; Y58-Y295 HydrophobicContact CG-CE2 4.24Å; Y58-Y295 AromaticContact CG-CG 3.81Å; Y58-Y295 HydrophobicContact CG-CG 3.81Å; V291-Y295 HydrophobicContact CG1-CD2 3.56Å; V291-Y295 HydrophobicContact CG1-CE2 3.61Å; V291-Y295 WeakPolarHBondContact O-CD2 3.5Å; V291-Y295 PolarHBondContact O-N 3.27Å; A292-Y295 PolarHBondContact O-N 3.15Å; K293-Y295 VanDerWaalsContact C-N 3.32Å; K293-Y295 PolarHBondContact O-N 3.41Å; Y295-V297 PolarHBondContact O-N 3.08Å
296G73.1Confident71.5Confident65 Ų6584 Ų8467%0.6747%0.472SS*.THydrogen-bonded Turntrans64.523.2178.100000113.7A292 K293 C294 S298A292-G296 PolarHBondContact O-N 2.93Å; K293-G296 PolarHBondContact O-N 3.31Å; K293-G296 VanDerWaalsContact O-N 3.15Å; C294-G296 VanDerWaalsContact C-N 3.27Å; C294-G296 PolarHBondContact O-N 3.01Å; G296-S298 PolarHBondContact O-N 3.03Å; G296-S298 VanDerWaalsContact O-N 3.09Å
297V68.1Low69.7Low42 Ų4284 Ų8426%0.25548%0.475SS..  trans-72.1109.5178.1178.80000108.3Y58 A292 Y295 W301Y58-V297 HydrophobicContact CD1-CG2 3.53Å; Y58-V297 HydrophobicContact CE1-CB 4.17Å; Y58-V297 HydrophobicContact CE1-CG2 3.47Å; Y58-V297 VanDerWaalsContact CE1-CG2 3.47Å; A292-V297 PolarHBondContact O-N 3.36Å; A292-V297 VanDerWaalsContact O-N 3.1Å; Y295-V297 PolarHBondContact O-N 3.08Å; V297-W301 HydrophobicContact CG1-CH2 4.17Å; V297-W301 HydrophobicContact CG1-CZ2 3.77Å
298S60.3Low67.9Low72 Ų7283.3 Ų83.350%0.50347%0.474SS..  trans-53.9136.1173.6-176.30000109.3G296 N300G296-S298 PolarHBondContact O-N 3.03Å; G296-S298 VanDerWaalsContact O-N 3.09Å; S298-N300 PolarHBondContact O-N 2.72Å
299P58.9Low66.4Low103 Ų10387.7 Ų87.767%0.66950%0.497SS*.SBendtrans-64.312.6-175.925.5-34.4000115.2W301P299-W301 PolarHBondContact O-N 3.44Å
300N54.8Low64.7Low80 Ų8090.4 Ų90.443%0.42851%0.505SS..  trans-78.146.4-179.5-63.92.3000112.4S298 T302 E303S298-N300 PolarHBondContact O-N 2.72Å; N300-T302 PolarHBondContact O-N 3.17Å; N300-T302 VanDerWaalsContact O-N 3.16Å; N300-E303 HydrophobicContact CB-CB 3.9Å; N300-E303 PolarHBondContact ND2-OE2 3.42Å; N300-E303 PolarHBondContact O-N 2.96Å
301W56.6Low63.1Low115 Ų11594.6 Ų94.644%0.43652%0.515SS..THydrogen-bonded Turntrans-58.8-24.7173.9-64.997.3000112.1R57 Y58 V297 P299R57-W301 VanDerWaalsContact NH2-CZ3 3.31Å; Y58-W301 HydrophobicContact CE1-CH2 4.33Å; V297-W301 HydrophobicContact CG1-CH2 4.17Å; V297-W301 HydrophobicContact CG1-CZ2 3.77Å; P299-W301 PolarHBondContact O-N 3.44Å
302T53.1Low61.5Low117 Ų117101.4 Ų101.472%0.71854%0.538SS*.THydrogen-bonded Turntrans-83.2-29.1177.516.30000114.2N300 T305N300-T302 PolarHBondContact O-N 3.17Å; N300-T302 VanDerWaalsContact O-N 3.16Å; T302-T305 PolarHBondContact O-OG1 2.9Å; T302-T305 VanDerWaalsContact O-OG1 3.11Å
303E50.6Low60.2Low117 Ų117104.3 Ų104.355%0.54755%0.554SS.*Hα-helixtrans-83.7-18.7-168.8-153.9178.2-168.700113.9N300 T305 D306 S307N300-E303 HydrophobicContact CB-CB 3.9Å; N300-E303 PolarHBondContact ND2-OE2 3.42Å; N300-E303 PolarHBondContact O-N 2.96Å; E303-T305 PolarHBondContact O-N 3.21Å; E303-D306 PolarHBondContact O-N 3.19Å; E303-S307 PolarHBondContact O-N 3.48Å; E303-S307 PolarHBondContact O-OG 2.98Å
304S50.5Low58.8Low75 Ų7599 Ų9952%0.52454%0.54SS..Hα-helixtrans-66.3-24174.568.60000113S307 S308S304-S307 PolarHBondContact O-OG 3.05Å; S304-S308 PolarHBondContact O-N 3.3Å; S304-S308 PolarHBondContact O-OG 3.4Å
305T51.5Low57.3Low88 Ų88100.5 Ų100.554%0.5454%0.536SS..Hα-helixtrans-72-46.1179.1-24.80000111.2T302 E303 S308 L309T302-T305 PolarHBondContact O-OG1 2.9Å; T302-T305 VanDerWaalsContact O-OG1 3.11Å; E303-T305 PolarHBondContact O-N 3.21Å; T305-S308 PolarHBondContact O-N 2.59Å; T305-S308 PolarHBondContact O-OG 3.18Å; T305-L309 PolarHBondContact O-N 3.33Å
306D52.8Low55.9Low118 Ų118102.3 Ų102.363%0.63155%0.546SS*.Hα-helixtrans-71.4-38.1-178.3-85.3-17.6000113E303 S308 L309 K310E303-D306 PolarHBondContact O-N 3.19Å; D306-S308 VanDerWaalsContact C-N 3.33Å; D306-S308 PolarHBondContact O-N 2.83Å; D306-L309 PolarHBondContact O-N 3.12Å; D306-K310 VanDerWaalsContact O-CB 3.27Å; D306-K310 WeakPolarHBondContact O-CB 3.45Å; D306-K310 PolarHBondContact O-N 2.96Å
307S53.6Low55Low70 Ų70107.4 Ų107.449%0.4955%0.547SS..Hα-helixtrans-67.6-32.817856.10000112.7E303 S304 R311E303-S307 PolarHBondContact O-N 3.48Å; E303-S307 PolarHBondContact O-OG 2.98Å; S304-S307 PolarHBondContact O-OG 3.05Å; S307-R311 VanDerWaalsContact O-CB 3.32Å; S307-R311 WeakPolarHBondContact O-CB 3.46Å; S307-R311 PolarHBondContact O-N 3.16Å
308S53.3Low54.4Low37 Ų37109.6 Ų109.626%0.25956%0.557SS.*Hα-helixtrans-72.5-35.8175.676.70000112.8S219 S304 T305 D306 R312S219-S308 PolarHBondContact OG-OG 3.49Å; S304-S308 PolarHBondContact O-N 3.3Å; S304-S308 PolarHBondContact O-OG 3.4Å; T305-S308 PolarHBondContact O-N 2.59Å; T305-S308 PolarHBondContact O-OG 3.18Å; D306-S308 VanDerWaalsContact C-N 3.33Å; D306-S308 PolarHBondContact O-N 2.83Å; S308-R312 PolarHBondContact O-N 3.13Å; S308-R312 VanDerWaalsContact O-N 3.12Å
309L56.2Low54.1Low118 Ų118116 Ų11662%0.61857%0.57SS**Hα-helixtrans-68.3-45.8174.2-144.695000110.7T305 D306 R311 R312 T313T305-L309 PolarHBondContact O-N 3.33Å; D306-L309 PolarHBondContact O-N 3.12Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-R311 PolarHBondContact O-N 3.3Å; L309-R312 PolarHBondContact O-N 3.37Å; L309-T313 WeakPolarHBondContact O-CG2 3.38Å; L309-T313 PolarHBondContact O-N 3.14Å; L309-T313 PolarHBondContact O-OG1 3.39Å
310K54.2Low53.9Low158 Ų158117.7 Ų117.769%0.68757%0.569SS**Hα-helixtrans-63.5-36.2178.4-168.3173.3-177.6178.10112.7D306 T313 S314D306-K310 VanDerWaalsContact O-CB 3.27Å; D306-K310 WeakPolarHBondContact O-CB 3.45Å; D306-K310 PolarHBondContact O-N 2.96Å; K310-T313 WeakPolarHBondContact CA-OG1 3.42Å; K310-T313 PolarHBondContact O-OG1 2.96Å; K310-S314 WeakPolarHBondContact O-CB 3.41Å; K310-S314 PolarHBondContact O-N 3.35Å
311R54.4Low54Low179 Ų179117.4 Ų117.468%0.67557%0.573SS**Hα-helixtrans-73.9-34.5176.5-161.5-179.5-100.7157.4-4.3112.1S307 L309 H315S307-R311 VanDerWaalsContact O-CB 3.32Å; S307-R311 WeakPolarHBondContact O-CB 3.46Å; S307-R311 PolarHBondContact O-N 3.16Å; L309-R311 VanDerWaalsContact C-N 3.35Å; L309-R311 PolarHBondContact O-N 3.3Å; R311-H315 PolarHBondContact O-N 3.46Å; R311-H315 VanDerWaalsContact O-N 3.16Å
312R53.3Low53.9Low170 Ų170118.5 Ų118.564%0.64259%0.587SS**Hα-helixtrans-69.5-36.3172.9-96.9-174.1173.3-171.6-1.2113S308 L309 K316S308-R312 PolarHBondContact O-N 3.13Å; S308-R312 VanDerWaalsContact O-N 3.12Å; L309-R312 PolarHBondContact O-N 3.37Å; R312-K316 WeakPolarHBondContact O-CB 3.21Å; R312-K316 PolarHBondContact O-N 3.32Å
313T57.9Low53.9Low70 Ų70119.9 Ų119.943%0.42959%0.59SS.*Hα-helixtrans-70.4-42.6175.352.50000111.3L309 K310 H315 K316 Y317L309-T313 WeakPolarHBondContact O-CG2 3.38Å; L309-T313 PolarHBondContact O-N 3.14Å; L309-T313 PolarHBondContact O-OG1 3.39Å; K310-T313 WeakPolarHBondContact CA-OG1 3.42Å; K310-T313 PolarHBondContact O-OG1 2.96Å; T313-H315 PolarHBondContact O-N 3.03Å; T313-K316 PolarHBondContact O-N 3.27Å; T313-Y317 WeakPolarHBondContact O-CD2 3.26Å; T313-Y317 PolarHBondContact O-N 3.44Å
314S55Low53.9Low67 Ų67118.8 Ų118.847%0.46960%0.595SS.*Hα-helixtrans-60-44.9177.5-162.30000112.4K310 K316 Y317 D318K310-S314 WeakPolarHBondContact O-CB 3.41Å; K310-S314 PolarHBondContact O-N 3.35Å; S314-K316 VanDerWaalsContact C-N 3.27Å; S314-K316 PolarHBondContact O-N 3.23Å; S314-Y317 PolarHBondContact O-N 2.61Å; S314-D318 PolarHBondContact O-N 3.34Å; S314-D318 VanDerWaalsContact O-N 3.13Å
315H53.9Low53.9Low135 Ų135119.9 Ų119.963%0.62560%0.603SS**Hα-helixtrans-71.7-21-179.2-145.1-50.5000113.6R311 T313R311-H315 PolarHBondContact O-N 3.46Å; R311-H315 VanDerWaalsContact O-N 3.16Å; T313-H315 PolarHBondContact O-N 3.03Å
316K52.1Low53.6Low152 Ų152123.4 Ų123.466%0.66162%0.619SS**Hα-helixtrans-78.4-30.7174.4-162.5177.3-178.7-175.10111.8R312 T313 S314R312-K316 WeakPolarHBondContact O-CB 3.21Å; R312-K316 PolarHBondContact O-N 3.32Å; T313-K316 PolarHBondContact O-N 3.27Å; S314-K316 VanDerWaalsContact C-N 3.27Å; S314-K316 PolarHBondContact O-N 3.23Å
317Y53.5Low53.1Low172 Ų172123.1 Ų123.168%0.67563%0.626SS**Hα-helixtrans-78-37.6174.7-77.2-72000112.8T313 S314 R319 Q320 S321T313-Y317 WeakPolarHBondContact O-CD2 3.26Å; T313-Y317 PolarHBondContact O-N 3.44Å; S314-Y317 PolarHBondContact O-N 2.61Å; Y317-R319 PolarHBondContact O-N 3.39Å; Y317-Q320 PolarHBondContact O-N 3.4Å; Y317-S321 PolarHBondContact O-N 3.32Å; Y317-S321 VanDerWaalsContact O-N 3.11Å; Y317-S321 PolarHBondContact O-OG 3Å
318D56.6Low52.6Low89 Ų89127.4 Ų127.448%0.47664%0.642SS.*Hα-helixtrans-70.3-29.9179.5-79.3-31.1000113.8S314 Q320 S321 L322S314-D318 PolarHBondContact O-N 3.34Å; S314-D318 VanDerWaalsContact O-N 3.13Å; D318-Q320 VanDerWaalsContact C-N 3.28Å; D318-Q320 PolarHBondContact O-N 3.41Å; D318-S321 PolarHBondContact O-OG 3.42Å; D318-L322 PolarHBondContact O-N 3.48Å
319R53Low52.4Low205 Ų205132.4 Ų132.477%0.77467%0.666SS**Hα-helixtrans-76.9-17.8176.3-144.5179.2-166.4175.53.9113Y317Y317-R319 PolarHBondContact O-N 3.39Å
320Q54Low51.8Low140 Ų140132.8 Ų132.865%0.65467%0.674SS**Hα-helixtrans-93.8-24178.9-131.6167.8-8.900112.1Y317 D318Y317-Q320 PolarHBondContact O-N 3.4Å; D318-Q320 VanDerWaalsContact C-N 3.28Å; D318-Q320 PolarHBondContact O-N 3.41Å
321S57Low51.3Low73 Ų73135.7 Ų135.751%0.5168%0.682SS.*Hα-helixtrans-82-27.7175.1600000113.9Y317 D318Y317-S321 PolarHBondContact O-N 3.32Å; Y317-S321 VanDerWaalsContact O-N 3.11Å; Y317-S321 PolarHBondContact O-OG 3Å; D318-S321 PolarHBondContact O-OG 3.42Å
322L55.6Low51Low138 Ų138133.8 Ų133.872%0.72369%0.685SS**THydrogen-bonded Turntrans-85-3.2-179.8-91.7143.1000115.6D318D318-L322 PolarHBondContact O-N 3.48Å
323N52Low50.8Low147 Ų147133.1 Ų133.179%0.78669%0.694SS**THydrogen-bonded Turntrans-11112.2174.9-95.8-2.6000113.6
324S51.5Low50.4Low94 Ų94137.7 Ų137.766%0.65771%0.714SS**  trans-90.55-176.9-177.40000114.8
325S50.1Low49.9Very low97 Ų97142 Ų14268%0.67873%0.727SS**SBendtrans-105.868.4177.860.10000110.6
326N45.3Very low49.4Very low163 Ų163146.8 Ų146.887%0.87274%0.741SS**  trans176.478.6156.1-89.5-20.7000109.1
327S42Very low49.1Very low112 Ų112144.7 Ų144.778%0.78374%0.741SS**  trans-157.177.7156.2510000109.8
328L44.5Very low48.9Very low159 Ų159145.8 Ų145.883%0.83275%0.749SS**  trans-105.9127.1152.2-143111.3000105
329N48.2Very low48.7Very low142 Ų142149.3 Ų149.376%0.75977%0.767SS**SBendtrans79.1101.3-172.2-54.8-27.9000115
330T42.7Very low48.7Very low127 Ų127148.2 Ų148.278%0.77978%0.776SS**  169112.599.9-630000108.1D332T330-D332 PolarHBondContact O-N 3.42Å
331Y44.9Very low48.6Very low218 Ų218148.7 Ų148.786%0.85578%0.783SS**  trans-60116158.4-115.8-105000107.7
332D48.5Very low48.4Very low140 Ų140151.3 Ų151.375%0.74980%0.796SS**  trans163146.7146.4-84.6-20.1000110.4T330T330-D332 PolarHBondContact O-N 3.42Å
333N48.1Very low48.3Very low156 Ų156151.4 Ų151.483%0.83480%0.798SS**  trans96.565.6178.9-54.9-36.2000117.1
334I49.7Very low48.3Very low166 Ų166155.2 Ų155.285%0.85180%0.802SS**  trans-51.7148.4131.8-65161.5000108.9
335E44.8Very low48.6Very low156 Ų156157.2 Ų157.273%0.72980%0.804SS**  trans97.974.8163.3-145.3166.7-150.500118.8
336Y42.8Very low48.7Very low237 Ų237165.3 Ų165.393%0.92983%0.831SS**  trans-131.355.5145.1-83-84.7000110
337T46.7Very low48.9Very low108 Ų108165.4 Ų165.466%0.66383%0.829SS**  trans-78.9147.8150.826.90000108.6
338K49.6Very low49.3Very low194 Ų194168.2 Ų168.284%0.84383%0.832SS**SBendtrans96.421.3140.3-124.3176.3-175.5-177.70122
339L52Low49.5Very low163 Ų163168.7 Ų168.785%0.85383%0.832SS**  trans-125.229.4-179.5-72.5176000118.1
340L52Low49.6Very low183 Ų183170.3 Ų170.396%0.95884%0.836SS**SBendtrans-127.224.8169.9-99158.4000114.1
341N52.9Low50.1Low150 Ų150173 Ų17380%0.80284%0.84SS**SBendtrans-134.963.7173.8-167.828.6000111.1
342T52.6Low50.4Low127 Ų127170 Ų17078%0.77984%0.838SS**  trans-168.1143.5154.6-120000108.6
343D53Low50.5Low141 Ų141172.1 Ų172.175%0.75485%0.845SS**  trans96.771.8169.6-51.3-16.4000118.4
344Y52.2Low50.7Low226 Ų226173.4 Ų173.489%0.88685%0.846SS**  trans-122.395.6132.7-102.3-93.7000105
345I58Low50.8Low137 Ų137174 Ų17470%0.70385%0.845SS**  66.9105.295.4-60170.4000112.2
346E53.2Low51.4Low266 Ų266175.6 Ų175.6100%1.24386%0.856SS**  trans63.30164.9-69.4-176.1169.400121

Retrieved 346 of 346 residues in 293.4 ms (Link to these results)