A0A087XHE5_POEFO Loading...

COMM domain-containing protein 5

AlphaFold DB (A0A3B3V6A2), UniProt , Accession A0A087XHE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M32.4Very low46.2Very low246 Ų246114.8 Ų114.8100%1.21266%0.661SS**  0101.40-73.2-170.1170.400108.1
2S27.7Very low49.2Very low114 Ų114106.6 Ų106.680%0.79761%0.613SS**  trans-155.380.3166.8550000106S4S2-S4 VanDerWaalsContact C-N 3.28Å; S2-S4 PolarHBondContact O-N 3.46Å
3S26.9Very low51.4Low114 Ų114102 Ų10280%0.79760%0.603SS**  trans-63.393.5172.6-24.20000106.9N5S3-N5 PolarHBondContact O-N 2.82Å
4S30.8Very low53.1Low108 Ų108100.9 Ų100.976%0.75562%0.623SS**  trans-68.686.3164.154.10000106.4S2 V6S2-S4 VanDerWaalsContact C-N 3.28Å; S2-S4 PolarHBondContact O-N 3.46Å; S4-V6 PolarHBondContact O-N 3.29Å
5N33.7Very low54.9Low144 Ų144109.1 Ų109.177%0.7764%0.638SS**  trans-52.6113.1162-91.5-5.4000105.9S3 K7S3-N5 PolarHBondContact O-N 2.82Å; N5-K7 PolarHBondContact O-N 3.16Å
6V39.7Very low56.9Low138 Ų138107.3 Ų107.384%0.83662%0.624SS**  trans-58.696.7165176.20000104S4 D8S4-V6 PolarHBondContact O-N 3.29Å; V6-D8 PolarHBondContact O-N 3.15Å
7K47.7Very low58.7Low150 Ų150101.9 Ų101.965%0.65259%0.593SS**  trans-56.1126.1176.2-82.3-172.7166.8-154.60106.7N5 S9 E102N5-K7 PolarHBondContact O-N 3.16Å; K7-S9 PolarHBondContact O-N 3.22Å; K7-E102 IonicContact NZ-OE2 3.98Å
8D51.7Low60.4Low151 Ų151101.3 Ų101.381%0.80759%0.593SS**  trans-46.5136.7163.3-71.1-47.2000108V6 S10V6-D8 PolarHBondContact O-N 3.15Å; D8-S10 PolarHBondContact O-N 2.71Å
9S57.9Low62.1Low51 Ų5199.1 Ų99.136%0.35758%0.577SS.*  trans-58.9100.3-175.941.30000111K7 I206K7-S9 PolarHBondContact O-N 3.22Å; S9-I206 WeakPolarHBondContact OG-CG2 2.87Å; S9-I206 PolarHBondContact OG-O 3.07Å
10S76.3Confident63.6Low30 Ų3094.2 Ų94.221%0.2155%0.548CS..  trans-61.1151.3168174.60000109.9D8 L12 G13 D99D8-S10 PolarHBondContact O-N 2.71Å; S10-L12 PolarHBondContact O-N 3.5Å; S10-L12 PolarHBondContact OG-N 2.8Å; S10-G13 PolarHBondContact O-N 3.45Å; S10-D99 WeakPolarHBondContact CA-OD2 3.35Å; S10-D99 VanDerWaalsContact CB-OD2 3.26Å; S10-D99 WeakPolarHBondContact CB-OD2 3.45Å; S10-D99 VanDerWaalsContact OG-CG 3.24Å; S10-D99 PolarHBondContact OG-OD2 2.84Å
11F83.4Confident64.8Low17 Ų1794.1 Ų94.18%0.07554%0.543CS..THydrogen-bonded Turntrans-58.1-16172.379.2-92.2000112.8G13 V79 E82 A83 I86 L91 F96 D99 L100F11-G13 VanDerWaalsContact C-N 3.31Å; F11-V79 HydrophobicContact CZ-CG1 4.28Å; F11-E82 HydrophobicContact CD2-CB 4.22Å; F11-E82 HydrophobicContact CE2-CB 4.25Å; F11-A83 HydrophobicContact CD2-CB 4.26Å; F11-A83 HydrophobicContact CE2-CB 4.22Å; F11-I86 HydrophobicContact CB-CD1 3.74Å; F11-L91 HydrophobicContact CB-CD1 3.71Å; F11-L91 HydrophobicContact CG-CD1 4.47Å; F11-F96 AromaticContact CD1-CD2 3.68Å; F11-F96 HydrophobicContact CD1-CD2 3.68Å; F11-F96 HydrophobicContact CD1-CE2 4.15Å; F11-F96 HydrophobicContact CD2-CE2 4.46Å; F11-F96 AromaticContact CE1-CD2 3.62Å; F11-F96 HydrophobicContact CE1-CD2 3.62Å; F11-F96 AromaticContact CE1-CE2 3.7Å; F11-F96 HydrophobicContact CE1-CE2 3.7Å; F11-F96 HydrophobicContact CE2-CD2 4.43Å; F11-F96 HydrophobicContact CE2-CE2 4.01Å; F11-F96 HydrophobicContact CG-CD2 4.17Å; F11-F96 HydrophobicContact CZ-CD2 4.03Å; F11-F96 AromaticContact CZ-CE2 3.63Å; F11-F96 HydrophobicContact CZ-CE2 3.63Å; F11-D99 HydrophobicContact CD1-CB 3.82Å; F11-D99 WeakPolarHBondContact CD1-OD2 3.41Å; F11-D99 HydrophobicContact CE1-CB 3.78Å; F11-D99 PolarHBondContact N-OD2 3.36Å; F11-L100 HydrophobicContact CE1-CD2 4.13Å; F11-L100 HydrophobicContact CZ-CD2 4.04Å
12L81.9Confident67.6Low16 Ų1683.7 Ų83.78%0.08449%0.494CS..THydrogen-bonded Turntrans-84-0.6175.3-60.4178.2000114S10 I16 I20 E82 L103S10-L12 PolarHBondContact O-N 3.5Å; S10-L12 PolarHBondContact OG-N 2.8Å; L12-I16 HydrophobicContact CD1-CG1 4.35Å; L12-I16 HydrophobicContact CD1-CG2 4.26Å; L12-I20 HydrophobicContact CD1-CD1 3.76Å; L12-I20 HydrophobicContact CD2-CD1 3.32Å; L12-I20 HydrophobicContact CG-CD1 4.2Å; L12-E82 HydrophobicContact CD2-CB 4.08Å; L12-E82 HydrophobicContact CD2-CG 4.18Å; L12-L103 HydrophobicContact CD1-CD1 3.82Å
13G78.6Confident70.8Confident47 Ų4778.2 Ų78.249%0.48546%0.456SS..THydrogen-bonded Turntrans73.3-150.5-17700000113.1S10 F11 R15S10-G13 PolarHBondContact O-N 3.45Å; F11-G13 VanDerWaalsContact C-N 3.31Å; G13-R15 VanDerWaalsContact C-N 3.35Å; G13-R15 PolarHBondContact O-N 3.15Å
14G74.2Confident73.7Confident86 Ų8674 Ų7489%0.88743%0.426SS*.THydrogen-bonded Turntrans-76.5-13.2-171.600000115.8
15R81.1Confident76.6Confident225 Ų22575 Ų7585%0.84942%0.417SS*.SBendtrans-144.1137.7178.2-70-172.8-177.8-176.81.3110.5G13 P17G13-R15 VanDerWaalsContact C-N 3.35Å; G13-R15 PolarHBondContact O-N 3.15Å; R15-P17 WeakPolarHBondContact O-CD 3.45Å
16I86Confident79.2Confident79 Ų7969.4 Ų69.441%0.40539%0.387SS..  trans-70.7125.7174.4-61.1159.9000108.6L12 I20 L103L12-I16 HydrophobicContact CD1-CG1 4.35Å; L12-I16 HydrophobicContact CD1-CG2 4.26Å; I16-I20 HydrophobicContact CG2-CB 4.21Å; I16-I20 HydrophobicContact CG2-CG2 4.33Å; I16-L103 HydrophobicContact CD1-CD2 3.63Å; I16-L103 HydrophobicContact CG1-CD2 4.03Å; I16-L103 HydrophobicContact CG2-CD2 3.73Å
17P88.2Confident81.5Confident16 Ų1663.1 Ų63.110%0.10435%0.348CS..  trans-58.6139.6173.5-24.432.2000112.6R15 E19 I20 E21 R78R15-P17 WeakPolarHBondContact O-CD 3.45Å; P17-E19 VanDerWaalsContact CB-OE2 3.24Å; P17-E19 WeakPolarHBondContact CB-OE2 3.24Å; P17-E19 PolarHBondContact O-N 2.82Å; P17-E19 VanDerWaalsContact O-N 3.17Å; P17-I20 HydrophobicContact CB-CD1 4.38Å; P17-I20 HydrophobicContact CB-CG1 4.26Å; P17-I20 HydrophobicContact CG-CD1 4.05Å; P17-I20 HydrophobicContact CG-CG1 4.48Å; P17-I20 PolarHBondContact O-N 3.37Å; P17-I20 VanDerWaalsContact O-N 3.09Å; P17-E21 PolarHBondContact O-N 2.83Å; P17-R78 HydrophobicContact CB-CG 3.87Å; P17-R78 HydrophobicContact CG-CG 4.01Å
18P89.4Confident83.2Confident92 Ų9264.9 Ų64.960%0.59736%0.356SS*.Hα-helixtrans-61.9-26.5-176.425.9-35.4000113.3I20 E21 S22P18-I20 VanDerWaalsContact C-N 3.35Å; P18-E21 PolarHBondContact O-N 2.97Å; P18-S22 WeakPolarHBondContact O-CB 3.44Å; P18-S22 PolarHBondContact O-N 3.17Å
19E92.9Very high84.7Confident59 Ų5962.9 Ų62.928%0.27635%0.345SS..Hα-helixtrans-65.8-39.3177.3-53.690.6151.500111.3P17 S22 M23 A74 G75 R78P17-E19 VanDerWaalsContact CB-OE2 3.24Å; P17-E19 WeakPolarHBondContact CB-OE2 3.24Å; P17-E19 PolarHBondContact O-N 2.82Å; P17-E19 VanDerWaalsContact O-N 3.17Å; E19-S22 PolarHBondContact O-N 2.91Å; E19-M23 WeakPolarHBondContact O-CB 3.27Å; E19-M23 PolarHBondContact O-N 2.9Å; E19-A74 HydrophobicContact CB-CB 4.29Å; E19-A74 HydrophobicContact CG-CB 4.45Å; E19-G75 WeakPolarHBondContact O-CA 3.45Å; E19-R78 HydrophobicContact CB-CB 4.37Å; E19-R78 IonicContact OE1-CZ 3.59Å; E19-R78 IonicContact OE1-NE 3.85Å; E19-R78 IonicContact OE1-NH2 3.94Å; E19-R78 PolarHBondContact OE1-NH2 2.99Å; E19-R78 IonicContact OE2-CZ 3.75Å; E19-R78 IonicContact OE2-NE 3.61Å; E19-R78 IonicContact OE2-NH2 3.67Å
20I91.3Very high86.1Confident0 Ų061 Ų610%033%0.332CS..Hα-helixtrans-70-41.5177.6-57.9-174.6000110.1L12 I16 P17 P18 S22 M23 S24 R78 V79 L103L12-I20 HydrophobicContact CD1-CD1 3.76Å; L12-I20 HydrophobicContact CD2-CD1 3.32Å; L12-I20 HydrophobicContact CG-CD1 4.2Å; I16-I20 HydrophobicContact CG2-CB 4.21Å; I16-I20 HydrophobicContact CG2-CG2 4.33Å; P17-I20 HydrophobicContact CB-CD1 4.38Å; P17-I20 HydrophobicContact CB-CG1 4.26Å; P17-I20 HydrophobicContact CG-CD1 4.05Å; P17-I20 HydrophobicContact CG-CG1 4.48Å; P17-I20 PolarHBondContact O-N 3.37Å; P17-I20 VanDerWaalsContact O-N 3.09Å; P18-I20 VanDerWaalsContact C-N 3.35Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.36Å; I20-M23 HydrophobicContact CG2-CE 4.39Å; I20-M23 PolarHBondContact O-N 2.91Å; I20-S24 PolarHBondContact O-N 3.43Å; I20-R78 HydrophobicContact CD1-CB 4.46Å; I20-R78 HydrophobicContact CD1-CG 3.85Å; I20-R78 HydrophobicContact CG1-CB 4.05Å; I20-R78 HydrophobicContact CG1-CG 3.76Å; I20-V79 HydrophobicContact CD1-CG2 3.68Å; I20-V79 HydrophobicContact CG1-CG2 3.88Å; I20-V79 HydrophobicContact CG2-CG2 4.01Å; I20-L103 HydrophobicContact CG2-CD1 3.72Å; I20-L103 HydrophobicContact CG2-CD2 4.26Å
21E89.8Confident86.8Confident94 Ų9464.1 Ų64.144%0.43935%0.346SS..Hα-helixtrans-65-37.6176.2-161.2-165.4156.500112.1P17 P18 S24 K25P17-E21 PolarHBondContact O-N 2.83Å; P18-E21 PolarHBondContact O-N 2.97Å; E21-S24 PolarHBondContact O-OG 2.98Å; E21-S24 VanDerWaalsContact O-OG 3.07Å; E21-K25 WeakPolarHBondContact O-CG 3.39Å; E21-K25 PolarHBondContact O-N 3.46Å; E21-K25 WeakPolarHBondContact OE1-CE 3.49Å; E21-K25 IonicContact OE1-NZ 2.71Å; E21-K25 PolarHBondContact OE1-NZ 3.43Å
22S91.4Very high87.1Confident26 Ų2666.6 Ų66.618%0.18236%0.358CS..Hα-helixtrans-68.1-41.6175-170.20000111.5P18 E19 I20 K25 N26 H71P18-S22 WeakPolarHBondContact O-CB 3.44Å; P18-S22 PolarHBondContact O-N 3.17Å; E19-S22 PolarHBondContact O-N 2.91Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.36Å; S22-K25 PolarHBondContact O-N 2.98Å; S22-N26 PolarHBondContact O-N 3.45Å; S22-N26 PolarHBondContact O-ND2 2.88Å; S22-H71 VanDerWaalsContact OG-CG 3.23Å; S22-H71 PolarHBondContact OG-ND1 3.29Å
23M93.3Very high87.5Confident0 Ų071.5 Ų71.50%038%0.381CS..Hα-helixtrans-58.7-50.7176.1172.9-172.873.300111.3E19 I20 K25 N26 L27 G75 M76 V79 I105 F113E19-M23 WeakPolarHBondContact O-CB 3.27Å; E19-M23 PolarHBondContact O-N 2.9Å; I20-M23 HydrophobicContact CG2-CE 4.39Å; I20-M23 PolarHBondContact O-N 2.91Å; M23-K25 PolarHBondContact O-N 3.2Å; M23-K25 VanDerWaalsContact O-N 3.15Å; M23-N26 WeakPolarHBondContact O-CA 3.31Å; M23-N26 PolarHBondContact O-N 2.96Å; M23-L27 HydrophobicContact CG-CD1 4.23Å; M23-L27 HydrophobicContact CG-CD2 4.24Å; M23-L27 HydrophobicContact CG-CG 4.17Å; M23-L27 WeakPolarHBondContact O-CG 3.48Å; M23-L27 PolarHBondContact O-N 3.05Å; M23-G75 VanDerWaalsContact SD-C 3.53Å; M23-M76 HydrophobicContact SD-CB 4.45Å; M23-M76 HydrophobicContact SD-CG 3.84Å; M23-M76 PolarHBondContact SD-N 3.05Å; M23-V79 HydrophobicContact CE-CG2 3.94Å; M23-I105 HydrophobicContact CE-CD1 3.79Å; M23-I105 HydrophobicContact CE-CG1 4.46Å; M23-F113 HydrophobicContact CE-CZ 4.4Å; M23-F113 HydrophobicContact SD-CZ 4.33Å
24S89.4Confident88.2Confident26 Ų2670.4 Ų70.418%0.18236%0.364CS..Hα-helixtrans-59-32.5-176.366.40000113.1I20 E21 N26 L103I20-S24 PolarHBondContact O-N 3.43Å; E21-S24 PolarHBondContact O-OG 2.98Å; E21-S24 VanDerWaalsContact O-OG 3.07Å; S24-N26 VanDerWaalsContact C-N 3.29Å; S24-N26 PolarHBondContact O-N 3.17Å; S24-L103 WeakPolarHBondContact CB-O 3.5Å
25K90Very high89.1Confident127 Ų12766.3 Ų66.355%0.55232%0.321SS*.Hα-helixtrans-68.8-25.8174-67.7169.6-172.9167.90113.3E21 S22 M23E21-K25 WeakPolarHBondContact O-CG 3.39Å; E21-K25 PolarHBondContact O-N 3.46Å; E21-K25 WeakPolarHBondContact OE1-CE 3.49Å; E21-K25 IonicContact OE1-NZ 2.71Å; E21-K25 PolarHBondContact OE1-NZ 3.43Å; S22-K25 PolarHBondContact O-N 2.98Å; M23-K25 PolarHBondContact O-N 3.2Å; M23-K25 VanDerWaalsContact O-N 3.15Å
26N88.8Confident89.7Confident27 Ų2761.3 Ų61.314%0.14430%0.302CS..Hα-helixtrans-99.3-1.4-173.3-78.5-73.1000114.8S22 M23 S24 R68 I72S22-N26 PolarHBondContact O-N 3.45Å; S22-N26 PolarHBondContact O-ND2 2.88Å; M23-N26 WeakPolarHBondContact O-CA 3.31Å; M23-N26 PolarHBondContact O-N 2.96Å; S24-N26 VanDerWaalsContact C-N 3.29Å; S24-N26 PolarHBondContact O-N 3.17Å; N26-R68 PolarHBondContact O-NH2 3.46Å; N26-R68 WeakPolarHBondContact OD1-CG 3.21Å; N26-R68 PolarHBondContact OD1-NE 3.24Å; N26-R68 VanDerWaalsContact OD1-NE 3.17Å; N26-I72 HydrophobicContact CB-CD1 4.37Å; N26-I72 HydrophobicContact CB-CG1 3.97Å
27L88.4Confident90Very high6 Ų662.2 Ų62.23%0.03130%0.303CS..G310 helixtrans-80.7-11.7-174.6-72.8172.7000116M23 D29 V30 F35 I72 I105 F109M23-L27 HydrophobicContact CG-CD1 4.23Å; M23-L27 HydrophobicContact CG-CD2 4.24Å; M23-L27 HydrophobicContact CG-CG 4.17Å; M23-L27 WeakPolarHBondContact O-CG 3.48Å; M23-L27 PolarHBondContact O-N 3.05Å; L27-D29 PolarHBondContact O-N 3.43Å; L27-D29 VanDerWaalsContact O-N 3.08Å; L27-V30 HydrophobicContact CD2-CG2 4.39Å; L27-V30 PolarHBondContact O-N 3.33Å; L27-F35 HydrophobicContact CD2-CD2 4.22Å; L27-F35 HydrophobicContact CD2-CE2 4.19Å; L27-I72 HydrophobicContact CD2-CG2 4.36Å; L27-I105 HydrophobicContact CD1-CG1 4.22Å; L27-I105 HydrophobicContact CD1-CG2 4.16Å; L27-F109 HydrophobicContact CB-CE2 4.34Å; L27-F109 HydrophobicContact CD1-CD2 4.23Å; L27-F109 HydrophobicContact CD2-CD2 4.17Å; L27-F109 HydrophobicContact CD2-CE2 4.08Å
28K82.9Confident90.2Very high188 Ų18861.4 Ų61.482%0.81730%0.298SS*.G310 helixtrans-61-23.3-167.1-68.3-173.9178.8-1780116.3
29D83.1Confident90.5Very high108 Ų10857.5 Ų57.558%0.57827%0.272SS*.G310 helixtrans-119.212.2-175.9-41.8-59.5000112.3L27 R68L27-D29 PolarHBondContact O-N 3.43Å; L27-D29 VanDerWaalsContact O-N 3.08Å; D29-R68 IonicContact OD2-CZ 3.4Å; D29-R68 IonicContact OD2-NH1 2.82Å; D29-R68 PolarHBondContact OD2-NH1 3.24Å; D29-R68 IonicContact OD2-NH2 2.97Å; D29-R68 PolarHBondContact OD2-NH2 3.48Å
30V87.3Confident90.5Very high12 Ų1261.1 Ų61.17%0.07329%0.287CS..  trans-88.2121.6179.6-175.50000107.4L27 L34 F35 I64 I72 F109L27-V30 HydrophobicContact CD2-CG2 4.39Å; L27-V30 PolarHBondContact O-N 3.33Å; V30-L34 HydrophobicContact CG1-CB 4.41Å; V30-L34 HydrophobicContact CG1-CD2 4.41Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-F35 HydrophobicContact CG1-CB 3.97Å; V30-I64 HydrophobicContact CB-CD1 4.44Å; V30-I64 HydrophobicContact CG2-CD1 3.73Å; V30-I72 HydrophobicContact CG2-CD1 3.64Å; V30-F109 HydrophobicContact CB-CZ 4.48Å; V30-F109 WeakPolarHBondContact O-CZ 3.29Å
31D90.3Very high90.6Very high96 Ų9661.8 Ų61.851%0.51329%0.291SS..  trans-76.1162.2171.367.422.8000111.3E33 L34 F35D31-E33 PolarHBondContact O-N 3.07Å; D31-E33 PolarHBondContact OD1-N 3.04Å; D31-L34 WeakPolarHBondContact OD1-CA 3.33Å; D31-L34 WeakPolarHBondContact OD1-CB 3.41Å; D31-L34 PolarHBondContact OD1-N 3.32Å; D31-F35 WeakPolarHBondContact O-CB 3.2Å; D31-F35 PolarHBondContact O-N 3.01Å
32Q90.6Very high90.8Very high68 Ų6857.5 Ų57.532%0.31827%0.271SS..Hα-helixtrans-65.5-29.2-177.7-166.4176.130.100112.6R36 F109Q32-R36 WeakPolarHBondContact O-CB 3.47Å; Q32-R36 VanDerWaalsContact O-CG 3.3Å; Q32-R36 WeakPolarHBondContact O-CG 3.45Å; Q32-R36 PolarHBondContact O-N 3.29Å; Q32-F109 HydrophobicContact CB-CE1 4.45Å
33E91.5Very high90.9Very high120 Ų12056.3 Ų56.356%0.56126%0.263SS*.Hα-helixtrans-71.4-47.2-179.4-166-173.9151.100111.6D31 R36 K37D31-E33 PolarHBondContact O-N 3.07Å; D31-E33 PolarHBondContact OD1-N 3.04Å; E33-R36 PolarHBondContact O-N 3.09Å; E33-K37 WeakPolarHBondContact O-CG 3.5Å; E33-K37 PolarHBondContact O-N 3.05Å; E33-K37 WeakPolarHBondContact OE1-CE 3.43Å; E33-K37 IonicContact OE1-NZ 3.88Å; E33-K37 PolarHBondContact OE1-NZ 3.43Å
34L91.3Very high90.9Very high24 Ų2457.3 Ų57.313%0.12627%0.27CS..Hα-helixtrans-63-43.4174.1-177.561000110.4V30 D31 R36 K37 L38 I58 I64V30-L34 HydrophobicContact CG1-CB 4.41Å; V30-L34 HydrophobicContact CG1-CD2 4.41Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; D31-L34 WeakPolarHBondContact OD1-CA 3.33Å; D31-L34 WeakPolarHBondContact OD1-CB 3.41Å; D31-L34 PolarHBondContact OD1-N 3.32Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 3.49Å; L34-K37 PolarHBondContact O-N 3.33Å; L34-L38 HydrophobicContact CD1-CD1 4.44Å; L34-L38 HydrophobicContact CD1-CG 4.33Å; L34-L38 HydrophobicContact CG-CD1 4.13Å; L34-L38 HydrophobicContact CG-CG 4.44Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 3.08Å; L34-I58 HydrophobicContact CD1-CG2 3.81Å; L34-I64 HydrophobicContact CD2-CD1 3.55Å; L34-I64 HydrophobicContact CD2-CG1 4.16Å
35F93.3Very high90.9Very high0 Ų058.1 Ų58.10%028%0.278CS..Hα-helixtrans-55.3-49.2175.7-176.2-89.2000111.5L27 V30 D31 K37 L38 L39 M76 F109 D112 F113L27-F35 HydrophobicContact CD2-CD2 4.22Å; L27-F35 HydrophobicContact CD2-CE2 4.19Å; V30-F35 HydrophobicContact CG1-CB 3.97Å; D31-F35 WeakPolarHBondContact O-CB 3.2Å; D31-F35 PolarHBondContact O-N 3.01Å; F35-K37 PolarHBondContact O-N 3.41Å; F35-L38 PolarHBondContact O-N 2.83Å; F35-L39 HydrophobicContact CE1-CD2 4.16Å; F35-L39 WeakPolarHBondContact O-CB 3.34Å; F35-L39 PolarHBondContact O-N 3.28Å; F35-M76 HydrophobicContact CD2-CE 3.25Å; F35-M76 HydrophobicContact CE1-CE 4.43Å; F35-M76 HydrophobicContact CE2-CE 3.17Å; F35-M76 HydrophobicContact CG-CE 3.96Å; F35-M76 HydrophobicContact CZ-CE 3.79Å; F35-F109 HydrophobicContact CB-CD1 4Å; F35-F109 HydrophobicContact CB-CE1 3.72Å; F35-F109 HydrophobicContact CB-CZ 4.14Å; F35-F109 HydrophobicContact CD1-CB 4.25Å; F35-F109 AromaticContact CD1-CD1 3.62Å; F35-F109 HydrophobicContact CD1-CD1 3.62Å; F35-F109 HydrophobicContact CD1-CE1 4.24Å; F35-F109 AromaticContact CD1-CG 3.98Å; F35-F109 HydrophobicContact CD1-CG 3.98Å; F35-F109 HydrophobicContact CD2-CB 4.23Å; F35-F109 AromaticContact CD2-CD1 3.76Å; F35-F109 HydrophobicContact CD2-CD1 3.76Å; F35-F109 AromaticContact CD2-CD2 3.65Å; F35-F109 HydrophobicContact CD2-CD2 3.65Å; F35-F109 HydrophobicContact CD2-CE1 4.03Å; F35-F109 AromaticContact CD2-CE2 3.91Å; F35-F109 HydrophobicContact CD2-CE2 3.91Å; F35-F109 AromaticContact CD2-CG 3.59Å; F35-F109 HydrophobicContact CD2-CG 3.59Å; F35-F109 HydrophobicContact CD2-CZ 4.1Å; F35-F109 HydrophobicContact CE1-CB 3.76Å; F35-F109 HydrophobicContact CE1-CD1 4.04Å; F35-F109 AromaticContact CE1-CG 3.98Å; F35-F109 HydrophobicContact CE1-CG 3.98Å; F35-F109 HydrophobicContact CE2-CB 3.72Å; F35-F109 HydrophobicContact CE2-CD1 4.15Å; F35-F109 AromaticContact CE2-CD2 3.69Å; F35-F109 HydrophobicContact CE2-CD2 3.69Å; F35-F109 HydrophobicContact CE2-CE2 4.38Å; F35-F109 AromaticContact CE2-CG 3.57Å; F35-F109 HydrophobicContact CE2-CG 3.57Å; F35-F109 HydrophobicContact CG-CB 4.49Å; F35-F109 AromaticContact CG-CD1 3.49Å; F35-F109 HydrophobicContact CG-CD1 3.49Å; F35-F109 VanDerWaalsContact CG-CD1 3.49Å; F35-F109 HydrophobicContact CG-CD2 4.26Å; F35-F109 AromaticContact CG-CE1 3.73Å; F35-F109 HydrophobicContact CG-CE1 3.73Å; F35-F109 HydrophobicContact CG-CE2 4.44Å; F35-F109 AromaticContact CG-CG 3.82Å; F35-F109 HydrophobicContact CG-CG 3.82Å; F35-F109 HydrophobicContact CG-CZ 4.2Å; F35-F109 HydrophobicContact CZ-CB 3.49Å; F35-F109 VanDerWaalsContact CZ-CB 3.49Å; F35-F109 HydrophobicContact CZ-CD1 4.31Å; F35-F109 HydrophobicContact CZ-CD2 4.36Å; F35-F109 AromaticContact CZ-CG 3.81Å; F35-F109 HydrophobicContact CZ-CG 3.81Å; F35-D112 HydrophobicContact CD1-CB 4.32Å; F35-D112 HydrophobicContact CE1-CB 3.87Å; F35-F113 HydrophobicContact CE2-CE2 4.17Å; F35-F113 HydrophobicContact CE2-CZ 4.37Å; F35-F113 AromaticContact CZ-CD2 3.99Å; F35-F113 HydrophobicContact CZ-CD2 3.99Å; F35-F113 HydrophobicContact CZ-CE1 4.45Å; F35-F113 AromaticContact CZ-CE2 3.54Å; F35-F113 HydrophobicContact CZ-CE2 3.54Å; F35-F113 AromaticContact CZ-CZ 3.8Å; F35-F113 HydrophobicContact CZ-CZ 3.8Å
36R94.3Very high90.9Very high119 Ų11953.5 Ų53.545%0.44926%0.259SS..Hα-helixtrans-65.2-37.2178-74.5175.3175.3161.51.1113.1Q32 E33 L34 L39 K40 D112Q32-R36 WeakPolarHBondContact O-CB 3.47Å; Q32-R36 VanDerWaalsContact O-CG 3.3Å; Q32-R36 WeakPolarHBondContact O-CG 3.45Å; Q32-R36 PolarHBondContact O-N 3.29Å; E33-R36 PolarHBondContact O-N 3.09Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 3.49Å; R36-L39 PolarHBondContact O-N 3.29Å; R36-K40 WeakPolarHBondContact O-CB 3.49Å; R36-K40 PolarHBondContact O-N 3.26Å; R36-D112 WeakPolarHBondContact CG-OD2 3.01Å; R36-D112 IonicContact CZ-OD1 2.8Å; R36-D112 IonicContact NE-OD1 3.65Å; R36-D112 PolarHBondContact NE-OD1 2.88Å; R36-D112 IonicContact NE-OD2 3.53Å; R36-D112 PolarHBondContact NE-OD2 3.33Å; R36-D112 IonicContact NH2-OD1 2.71Å; R36-D112 PolarHBondContact NH2-OD1 3.49Å; R36-D112 IonicContact NH2-OD2 2.85Å
37K92.8Very high91Very high98 Ų9854.1 Ų54.143%0.42626%0.262SS..Hα-helixtrans-61.3-47173.8-75.8171.5-175.3165.80110.9E33 L34 F35 K40 V41 I58E33-K37 WeakPolarHBondContact O-CG 3.5Å; E33-K37 PolarHBondContact O-N 3.05Å; E33-K37 WeakPolarHBondContact OE1-CE 3.43Å; E33-K37 IonicContact OE1-NZ 3.88Å; E33-K37 PolarHBondContact OE1-NZ 3.43Å; L34-K37 PolarHBondContact O-N 3.33Å; F35-K37 PolarHBondContact O-N 3.41Å; K37-K40 PolarHBondContact O-N 3.3Å; K37-V41 WeakPolarHBondContact O-CG2 3.5Å; K37-V41 PolarHBondContact O-N 3.2Å; K37-V41 VanDerWaalsContact O-N 3.11Å; K37-I58 HydrophobicContact CB-CD1 4.3Å
38L93.2Very high90.8Very high0 Ų056.6 Ų56.60%029%0.288CS..Hα-helixtrans-63.9-45.3177-67.4174.2000111.9L34 F35 K40 V41 V42 I58 L69 I72 I73 M76L34-L38 HydrophobicContact CD1-CD1 4.44Å; L34-L38 HydrophobicContact CD1-CG 4.33Å; L34-L38 HydrophobicContact CG-CD1 4.13Å; L34-L38 HydrophobicContact CG-CG 4.44Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 3.08Å; F35-L38 PolarHBondContact O-N 2.83Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.26Å; L38-V41 WeakPolarHBondContact O-CB 3.46Å; L38-V41 PolarHBondContact O-N 2.92Å; L38-V41 VanDerWaalsContact O-N 3.1Å; L38-V42 WeakPolarHBondContact O-CG2 3.37Å; L38-V42 PolarHBondContact O-N 3.44Å; L38-I58 HydrophobicContact CD2-CG2 3.86Å; L38-L69 HydrophobicContact CD1-CD1 3.65Å; L38-L69 HydrophobicContact CD2-CD1 3.76Å; L38-L69 HydrophobicContact CD2-CG 4.42Å; L38-L69 HydrophobicContact CG-CD1 4.32Å; L38-I72 HydrophobicContact CD1-CG2 4.07Å; L38-I73 HydrophobicContact CD2-CD1 3.99Å; L38-I73 HydrophobicContact CD2-CG1 4.09Å; L38-M76 HydrophobicContact CB-CE 3.93Å; L38-M76 HydrophobicContact CB-SD 3.79Å; L38-M76 HydrophobicContact CD1-CE 4.39Å
39L94.3Very high91.1Very high9 Ų953.4 Ų53.45%0.04728%0.275CS..Hα-helixtrans-58.3-43.2176.9-174.663.7000111.4F35 R36 V41 V42 V43 L80 D112 F113 V116F35-L39 HydrophobicContact CE1-CD2 4.16Å; F35-L39 WeakPolarHBondContact O-CB 3.34Å; F35-L39 PolarHBondContact O-N 3.28Å; R36-L39 PolarHBondContact O-N 3.29Å; L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 3.22Å; L39-V42 PolarHBondContact O-N 3.23Å; L39-V43 VanDerWaalsContact O-CG2 3.28Å; L39-V43 WeakPolarHBondContact O-CG2 3.37Å; L39-V43 PolarHBondContact O-N 3.44Å; L39-L80 HydrophobicContact CD1-CD1 3.8Å; L39-D112 HydrophobicContact CD2-CB 3.88Å; L39-F113 HydrophobicContact CD1-CD1 3.9Å; L39-F113 HydrophobicContact CD1-CE1 3.82Å; L39-V116 HydrophobicContact CD1-CG2 4.46Å; L39-V116 HydrophobicContact CD2-CG2 3.83Å; L39-V116 HydrophobicContact CG-CG2 4.13Å
40K93.4Very high91.3Very high136 Ų13653.3 Ų53.359%0.59127%0.274SS*.Hα-helixtrans-62.4-38.5176.5-174.1179.1178.8-177.10112.4R36 K37 L38 S44R36-K40 WeakPolarHBondContact O-CB 3.49Å; R36-K40 PolarHBondContact O-N 3.26Å; K37-K40 PolarHBondContact O-N 3.3Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.26Å; K40-S44 WeakPolarHBondContact O-CB 3.32Å; K40-S44 PolarHBondContact O-N 2.86Å; K40-S44 PolarHBondContact O-OG 3.28Å
41V93.7Very high91.3Very high14 Ų1453.7 Ų53.79%0.08528%0.277CS..Hα-helixtrans-64.7-47.6174.4166.80000110.7K37 L38 L39 V43 S44 A45 C51 V54 I58K37-V41 WeakPolarHBondContact O-CG2 3.5Å; K37-V41 PolarHBondContact O-N 3.2Å; K37-V41 VanDerWaalsContact O-N 3.11Å; L38-V41 WeakPolarHBondContact O-CB 3.46Å; L38-V41 PolarHBondContact O-N 2.92Å; L38-V41 VanDerWaalsContact O-N 3.1Å; L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 3.22Å; V41-V43 PolarHBondContact O-N 2.98Å; V41-S44 PolarHBondContact O-N 2.97Å; V41-S44 VanDerWaalsContact O-N 3.16Å; V41-A45 PolarHBondContact O-N 3.07Å; V41-C51 HydrophobicContact CG1-CB 3.92Å; V41-V54 HydrophobicContact CG2-CB 4.34Å; V41-V54 HydrophobicContact CG2-CG1 3.61Å; V41-I58 HydrophobicContact CG2-CD1 3.63Å
42V94.2Very high91.2Very high3 Ų358 Ų582%0.01829%0.286CS..Hα-helixtrans-61.1-44.4178.4174.40000111.4L38 L39 S44 A45 L46 I73 M76 H77 L80L38-V42 WeakPolarHBondContact O-CG2 3.37Å; L38-V42 PolarHBondContact O-N 3.44Å; L39-V42 PolarHBondContact O-N 3.23Å; V42-S44 VanDerWaalsContact C-N 3.31Å; V42-S44 PolarHBondContact O-N 2.96Å; V42-A45 WeakPolarHBondContact O-CB 3.5Å; V42-A45 PolarHBondContact O-N 3.42Å; V42-L46 HydrophobicContact CG1-CD1 4.12Å; V42-L46 HydrophobicContact CG1-CG 4.47Å; V42-L46 WeakPolarHBondContact O-CG 3.32Å; V42-L46 PolarHBondContact O-N 2.95Å; V42-I73 HydrophobicContact CG2-CG2 4.04Å; V42-M76 HydrophobicContact CG1-CB 4.37Å; V42-M76 HydrophobicContact CG2-CB 4Å; V42-M76 HydrophobicContact CG2-SD 4.34Å; V42-H77 HydrophobicContact CG1-CB 3.95Å; V42-L80 HydrophobicContact CG1-CD1 3.9Å
43V93.4Very high91.1Very high2 Ų262.9 Ų62.91%0.01231%0.309CS..Hα-helixtrans-60.3-43175.5170.70000111L39 V41 A45 L46 E47 L80 V116 L125L39-V43 VanDerWaalsContact O-CG2 3.28Å; L39-V43 WeakPolarHBondContact O-CG2 3.37Å; L39-V43 PolarHBondContact O-N 3.44Å; V41-V43 PolarHBondContact O-N 2.98Å; V43-A45 VanDerWaalsContact C-N 3.31Å; V43-A45 PolarHBondContact O-N 3.06Å; V43-L46 PolarHBondContact O-N 3.32Å; V43-E47 WeakPolarHBondContact CG1-OE1 3.29Å; V43-E47 VanDerWaalsContact O-CG 3.29Å; V43-E47 WeakPolarHBondContact O-CG 3.2Å; V43-E47 PolarHBondContact O-N 3.34Å; V43-L80 HydrophobicContact CG2-CD1 3.95Å; V43-V116 HydrophobicContact CG2-CB 4.48Å; V43-V116 HydrophobicContact CG2-CG1 3.52Å; V43-V116 HydrophobicContact CG2-CG2 4.08Å; V43-L125 HydrophobicContact CG1-CD1 4.49Å; V43-L125 HydrophobicContact CG1-CD2 4.34Å
44S92.1Very high90.9Very high21 Ų2160.7 Ų60.715%0.14730%0.304CS..Hα-helixtrans-65.6-36.1177.8-55.90000111.9K40 V41 V42 E47 G48 K49 C51K40-S44 WeakPolarHBondContact O-CB 3.32Å; K40-S44 PolarHBondContact O-N 2.86Å; K40-S44 PolarHBondContact O-OG 3.28Å; V41-S44 PolarHBondContact O-N 2.97Å; V41-S44 VanDerWaalsContact O-N 3.16Å; V42-S44 VanDerWaalsContact C-N 3.31Å; V42-S44 PolarHBondContact O-N 2.96Å; S44-E47 WeakPolarHBondContact O-CB 3.27Å; S44-E47 PolarHBondContact O-N 3.27Å; S44-G48 PolarHBondContact O-N 2.72Å; S44-K49 VanDerWaalsContact O-CB 3.29Å; S44-K49 WeakPolarHBondContact O-CB 3.36Å; S44-K49 PolarHBondContact O-N 3.32Å; S44-C51 VanDerWaalsContact CB-SG 3.54Å
45A90.9Very high90.6Very high43 Ų4361.9 Ų61.936%0.35531%0.309SS..Hα-helixtrans-67.7-41.2174.800000112V41 V42 V43 E47 G48V41-A45 PolarHBondContact O-N 3.07Å; V42-A45 WeakPolarHBondContact O-CB 3.5Å; V42-A45 PolarHBondContact O-N 3.42Å; V43-A45 VanDerWaalsContact C-N 3.31Å; V43-A45 PolarHBondContact O-N 3.06Å; A45-E47 VanDerWaalsContact C-N 3.28Å; A45-E47 PolarHBondContact O-N 2.87Å; A45-G48 WeakPolarHBondContact O-CA 3.35Å; A45-G48 PolarHBondContact O-N 2.86Å
46L89.9Confident90.3Very high30 Ų3068.2 Ų68.216%0.15734%0.337CS..Hα-helixtrans-65.6-30.5173.9-71.5171.1000112.5V42 V43 G48 H77 L80 I84 L125 A128V42-L46 HydrophobicContact CG1-CD1 4.12Å; V42-L46 HydrophobicContact CG1-CG 4.47Å; V42-L46 WeakPolarHBondContact O-CG 3.32Å; V42-L46 PolarHBondContact O-N 2.95Å; V43-L46 PolarHBondContact O-N 3.32Å; L46-G48 PolarHBondContact O-N 2.88Å; L46-H77 VanDerWaalsContact CD2-NE2 3.32Å; L46-H77 WeakPolarHBondContact CD2-NE2 3.44Å; L46-L80 HydrophobicContact CD1-CB 3.59Å; L46-L80 HydrophobicContact CD1-CD1 3.9Å; L46-L80 HydrophobicContact CD1-CG 4.43Å; L46-I84 HydrophobicContact CD1-CD1 4.09Å; L46-L125 HydrophobicContact CB-CD2 3.48Å; L46-L125 VanDerWaalsContact CB-CD2 3.48Å; L46-L125 HydrophobicContact CD1-CD2 4.32Å; L46-A128 WeakPolarHBondContact O-CB 3.38Å
47E89.8Confident90Very high40 Ų4065.4 Ų65.419%0.18734%0.335CS..THydrogen-bonded Turntrans-72.2-2.6169.2-70169.8-171.300112.9V43 S44 A45 K49 R121 L125V43-E47 WeakPolarHBondContact CG1-OE1 3.29Å; V43-E47 VanDerWaalsContact O-CG 3.29Å; V43-E47 WeakPolarHBondContact O-CG 3.2Å; V43-E47 PolarHBondContact O-N 3.34Å; S44-E47 WeakPolarHBondContact O-CB 3.27Å; S44-E47 PolarHBondContact O-N 3.27Å; A45-E47 VanDerWaalsContact C-N 3.28Å; A45-E47 PolarHBondContact O-N 2.87Å; E47-K49 WeakPolarHBondContact OE2-CE 3.4Å; E47-K49 IonicContact OE2-NZ 2.88Å; E47-K49 PolarHBondContact OE2-NZ 3.44Å; E47-R121 IonicContact OE1-NH1 2.73Å; E47-L125 HydrophobicContact CG-CD2 4.04Å
48G85.6Confident89.7Confident58 Ų5861.3 Ų61.360%0.59832%0.318SS*.THydrogen-bonded Turntrans83.315178.900000115.3S44 A45 L46S44-G48 PolarHBondContact O-N 2.72Å; A45-G48 WeakPolarHBondContact O-CA 3.35Å; A45-G48 PolarHBondContact O-N 2.86Å; L46-G48 PolarHBondContact O-N 2.88Å
49K88.1Confident89.4Confident121 Ų12162.9 Ų62.953%0.52633%0.331SS..  trans-85.5146.7180-61.2170.4177.3162.10111.7S44 E47 C51S44-K49 VanDerWaalsContact O-CB 3.29Å; S44-K49 WeakPolarHBondContact O-CB 3.36Å; S44-K49 PolarHBondContact O-N 3.32Å; E47-K49 WeakPolarHBondContact OE2-CE 3.4Å; E47-K49 IonicContact OE2-NZ 2.88Å; E47-K49 PolarHBondContact OE2-NZ 3.44Å; K49-C51 PolarHBondContact O-N 2.85Å; K49-C51 PolarHBondContact O-SG 2.84Å
50D88.1Confident89Confident106 Ų10669.2 Ų69.257%0.56736%0.36SS*.  trans-70.4115.8172.6-168.8-1.4000110.4R52D50-R52 WeakPolarHBondContact OD1-CB 2.97Å; D50-R52 VanDerWaalsContact OD1-CG 3.25Å; D50-R52 WeakPolarHBondContact OD1-CG 3.42Å; D50-R52 IonicContact OD1-CZ 2.86Å; D50-R52 PolarHBondContact OD1-N 2.98Å; D50-R52 VanDerWaalsContact OD1-N 3.09Å; D50-R52 IonicContact OD1-NE 3.34Å; D50-R52 PolarHBondContact OD1-NE 2.89Å; D50-R52 IonicContact OD1-NH2 2.68Å; D50-R52 IonicContact OD2-CZ 2.87Å; D50-R52 IonicContact OD2-NE 3.67Å; D50-R52 PolarHBondContact OD2-NE 3.3Å; D50-R52 VanDerWaalsContact OD2-NE 3.13Å; D50-R52 IonicContact OD2-NH2 2.97Å; D50-R52 PolarHBondContact OD2-NH2 2.71Å
51C87.7Confident88.5Confident20 Ų2067.1 Ų67.114%0.13536%0.362CS..  trans-111.68.9-177.2-61.60000113.1V41 S44 K49 E53 V54 M55V41-C51 HydrophobicContact CG1-CB 3.92Å; S44-C51 VanDerWaalsContact CB-SG 3.54Å; K49-C51 PolarHBondContact O-N 2.85Å; K49-C51 PolarHBondContact O-SG 2.84Å; C51-E53 PolarHBondContact O-N 3.32Å; C51-V54 PolarHBondContact O-N 3.38Å; C51-M55 WeakPolarHBondContact O-CB 3.26Å; C51-M55 PolarHBondContact O-N 2.71Å
52R88.1Confident87.9Confident186 Ų18667.5 Ų67.570%0.70237%0.366SS*.Hα-helixtrans-60.2-44.8-172.7-73.3178.5-69.8-176.71.5113.5D50 M55 K56D50-R52 WeakPolarHBondContact OD1-CB 2.97Å; D50-R52 VanDerWaalsContact OD1-CG 3.25Å; D50-R52 WeakPolarHBondContact OD1-CG 3.42Å; D50-R52 IonicContact OD1-CZ 2.86Å; D50-R52 PolarHBondContact OD1-N 2.98Å; D50-R52 VanDerWaalsContact OD1-N 3.09Å; D50-R52 IonicContact OD1-NE 3.34Å; D50-R52 PolarHBondContact OD1-NE 2.89Å; D50-R52 IonicContact OD1-NH2 2.68Å; D50-R52 IonicContact OD2-CZ 2.87Å; D50-R52 IonicContact OD2-NE 3.67Å; D50-R52 PolarHBondContact OD2-NE 3.3Å; D50-R52 VanDerWaalsContact OD2-NE 3.13Å; D50-R52 IonicContact OD2-NH2 2.97Å; D50-R52 PolarHBondContact OD2-NH2 2.71Å; R52-M55 PolarHBondContact O-N 2.91Å; R52-K56 WeakPolarHBondContact O-CB 3.3Å; R52-K56 PolarHBondContact O-N 3.31Å
53E86.8Confident87.3Confident170 Ų17074.5 Ų74.579%0.79441%0.408SS*.Hα-helixtrans-69.9-41-178.9-65.4-174.716700112.4C51 M55 K56 S57C51-E53 PolarHBondContact O-N 3.32Å; E53-M55 VanDerWaalsContact C-N 3.31Å; E53-M55 PolarHBondContact O-N 3.04Å; E53-K56 PolarHBondContact O-N 3.18Å; E53-S57 PolarHBondContact O-N 3.37Å; E53-S57 PolarHBondContact O-OG 2.87Å
54V87.6Confident86.9Confident75 Ų7575.2 Ų75.246%0.45541%0.412SS..Hα-helixtrans-66-38.3176.1-173.90000110.5V41 C51 K56 S57 I58V41-V54 HydrophobicContact CG2-CB 4.34Å; V41-V54 HydrophobicContact CG2-CG1 3.61Å; C51-V54 PolarHBondContact O-N 3.38Å; V54-K56 VanDerWaalsContact C-N 3.35Å; V54-S57 PolarHBondContact O-N 3.12Å; V54-S57 PolarHBondContact O-OG 3.43Å; V54-I58 HydrophobicContact CG1-CD1 4.1Å; V54-I58 VanDerWaalsContact O-CG1 3.28Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.23Å
55M86.4Confident86.6Confident48 Ų4877.9 Ų77.924%0.23643%0.429CS..Hα-helixtrans-66-39.6176-175.157.6-154.200111.7C51 R52 E53 I58 A59 L69 I73C51-M55 WeakPolarHBondContact O-CB 3.26Å; C51-M55 PolarHBondContact O-N 2.71Å; R52-M55 PolarHBondContact O-N 2.91Å; E53-M55 VanDerWaalsContact C-N 3.31Å; E53-M55 PolarHBondContact O-N 3.04Å; M55-I58 PolarHBondContact O-N 2.93Å; M55-A59 WeakPolarHBondContact O-CB 3.41Å; M55-A59 PolarHBondContact O-N 3.13Å; M55-L69 HydrophobicContact CE-CD2 3.42Å; M55-L69 VanDerWaalsContact CE-CD2 3.42Å; M55-L69 HydrophobicContact CE-CG 3.84Å; M55-I73 HydrophobicContact CE-CD1 3.1Å; M55-I73 HydrophobicContact SD-CD1 3.34Å; M55-I73 WeakPolarHBondContact SD-CD1 3.34Å
56K86.8Confident86.4Confident134 Ų13483.2 Ų83.258%0.58345%0.446SS*.Hα-helixtrans-63.7-45.6176.2-173176.5174.8-176.20111.7R52 E53 V54 I58 A59 E60R52-K56 WeakPolarHBondContact O-CB 3.3Å; R52-K56 PolarHBondContact O-N 3.31Å; E53-K56 PolarHBondContact O-N 3.18Å; V54-K56 VanDerWaalsContact C-N 3.35Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I58 PolarHBondContact O-N 3.17Å; K56-A59 PolarHBondContact O-N 3.01Å; K56-E60 WeakPolarHBondContact CE-OE1 3.45Å; K56-E60 WeakPolarHBondContact CG-OE1 3.46Å; K56-E60 WeakPolarHBondContact O-CG 3.33Å; K56-E60 PolarHBondContact O-N 3.24Å
57S87.3Confident86.3Confident60 Ų6089.2 Ų89.242%0.4247%0.473SS..Hα-helixtrans-66.4-34178.363.90000113E53 V54 S61E53-S57 PolarHBondContact O-N 3.37Å; E53-S57 PolarHBondContact O-OG 2.87Å; V54-S57 PolarHBondContact O-N 3.12Å; V54-S57 PolarHBondContact O-OG 3.43Å; S57-S61 WeakPolarHBondContact O-CB 3.48Å; S57-S61 PolarHBondContact O-N 2.88Å; S57-S61 VanDerWaalsContact O-N 3.07Å; S57-S61 PolarHBondContact O-OG 3.42Å
58I86.4Confident86.3Confident12 Ų1290.3 Ų90.36%0.06248%0.476CS..Hα-helixtrans-67.3-43.7172.5-67.1167.4000110.7L34 K37 L38 V41 V54 M55 K56 E60 S61 S62L34-I58 HydrophobicContact CD1-CG2 3.81Å; K37-I58 HydrophobicContact CB-CD1 4.3Å; L38-I58 HydrophobicContact CD2-CG2 3.86Å; V41-I58 HydrophobicContact CG2-CD1 3.63Å; V54-I58 HydrophobicContact CG1-CD1 4.1Å; V54-I58 VanDerWaalsContact O-CG1 3.28Å; V54-I58 WeakPolarHBondContact O-CG1 3.5Å; V54-I58 PolarHBondContact O-N 3.23Å; M55-I58 PolarHBondContact O-N 2.93Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I58 PolarHBondContact O-N 3.17Å; I58-E60 VanDerWaalsContact C-N 3.32Å; I58-E60 PolarHBondContact O-N 2.97Å; I58-S61 WeakPolarHBondContact CA-OG 3.25Å; I58-S61 PolarHBondContact O-N 3.41Å; I58-S61 PolarHBondContact O-OG 3.29Å; I58-S62 WeakPolarHBondContact O-CB 3.46Å; I58-S62 PolarHBondContact O-N 2.95Å
59A85.9Confident86.6Confident32 Ų3287.6 Ų87.626%0.26445%0.448SS..Hα-helixtrans-62.4-39.1178.100000112.3M55 K56 L69M55-A59 WeakPolarHBondContact O-CB 3.41Å; M55-A59 PolarHBondContact O-N 3.13Å; K56-A59 PolarHBondContact O-N 3.01Å; A59-L69 HydrophobicContact CB-CD2 4.13Å
60E86.3Confident86.7Confident142 Ų14284.8 Ų84.866%0.66444%0.443SS*.Hα-helixtrans-71.5-29.6178-72.2172-178.500113.2K56 I58K56-E60 WeakPolarHBondContact CE-OE1 3.45Å; K56-E60 WeakPolarHBondContact CG-OE1 3.46Å; K56-E60 WeakPolarHBondContact O-CG 3.33Å; K56-E60 PolarHBondContact O-N 3.24Å; I58-E60 VanDerWaalsContact C-N 3.32Å; I58-E60 PolarHBondContact O-N 2.97Å
61S84.1Confident86.9Confident92 Ų9283.7 Ų83.764%0.64343%0.434SS*.Hα-helixtrans-94.2-15.7-179.957.20000114.1S57 I58S57-S61 WeakPolarHBondContact O-CB 3.48Å; S57-S61 PolarHBondContact O-N 2.88Å; S57-S61 VanDerWaalsContact O-N 3.07Å; S57-S61 PolarHBondContact O-OG 3.42Å; I58-S61 WeakPolarHBondContact CA-OG 3.25Å; I58-S61 PolarHBondContact O-N 3.41Å; I58-S61 PolarHBondContact O-OG 3.29Å
62S81Confident87.2Confident23 Ų2382.7 Ų82.716%0.16143%0.428CS..  trans-81.1142.7-177.682.30000112I58 I64I58-S62 WeakPolarHBondContact O-CB 3.46Å; I58-S62 PolarHBondContact O-N 2.95Å; S62-I64 PolarHBondContact O-N 3.5Å; S62-I64 PolarHBondContact OG-O 3.44Å
63V81.5Confident87.4Confident149 Ų14975.5 Ų75.590%0.90340%0.403SS*.SBendtrans-76.9-10.5172-172.90000111.4
64I83.9Confident87.7Confident17 Ų1769.4 Ų69.49%0.08738%0.381CS..SBendtrans-87.6134.8-173.9-58.1-174.8000110.2V30 L34 S62 R68V30-I64 HydrophobicContact CB-CD1 4.44Å; V30-I64 HydrophobicContact CG2-CD1 3.73Å; L34-I64 HydrophobicContact CD2-CD1 3.55Å; L34-I64 HydrophobicContact CD2-CG1 4.16Å; S62-I64 PolarHBondContact O-N 3.5Å; S62-I64 PolarHBondContact OG-O 3.44Å; I64-R68 HydrophobicContact CG2-CB 3.63Å
65P87.3Confident88.1Confident78 Ų7865.8 Ų65.851%0.50636%0.36SS..  trans-56.3142.7174.7-25.133.4000113.1E67 R68 L69P65-E67 PolarHBondContact O-N 3.3Å; P65-E67 VanDerWaalsContact O-N 3.16Å; P65-R68 PolarHBondContact O-N 3.43Å; P65-L69 PolarHBondContact O-N 2.99Å
66Q86.1Confident88.5Confident155 Ų15563.5 Ų63.572%0.72435%0.349SS*.Hα-helixtrans-57.3-34.2-176.7-169.5177.60.700113.5L69 S70Q66-L69 WeakPolarHBondContact O-CB 3.32Å; Q66-L69 PolarHBondContact O-N 3.48Å; Q66-S70 PolarHBondContact O-N 3.27Å
67E88.1Confident88.8Confident155 Ų15560.9 Ų60.972%0.72434%0.338SS*.Hα-helixtrans-65.7-40.2175.2-66.1-177.8171.300112.7P65 L69 S70 H71P65-E67 PolarHBondContact O-N 3.3Å; P65-E67 VanDerWaalsContact O-N 3.16Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-S70 PolarHBondContact O-N 3.32Å; E67-S70 PolarHBondContact O-OG 2.95Å; E67-H71 PolarHBondContact O-CD2 2.86Å; E67-H71 PolarHBondContact O-N 2.68Å
68R89.9Confident89.1Confident64 Ų6461.8 Ų61.824%0.24233%0.332CS..Hα-helixtrans-67.6-39.3174.9-70.9-171.261.4-171.4-4.3110.7N26 D29 I64 P65 S70 H71 I72N26-R68 PolarHBondContact O-NH2 3.46Å; N26-R68 WeakPolarHBondContact OD1-CG 3.21Å; N26-R68 PolarHBondContact OD1-NE 3.24Å; N26-R68 VanDerWaalsContact OD1-NE 3.17Å; D29-R68 IonicContact OD2-CZ 3.4Å; D29-R68 IonicContact OD2-NH1 2.82Å; D29-R68 PolarHBondContact OD2-NH1 3.24Å; D29-R68 IonicContact OD2-NH2 2.97Å; D29-R68 PolarHBondContact OD2-NH2 3.48Å; I64-R68 HydrophobicContact CG2-CB 3.63Å; P65-R68 PolarHBondContact O-N 3.43Å; R68-S70 VanDerWaalsContact C-N 3.32Å; R68-S70 PolarHBondContact O-N 2.84Å; R68-H71 PolarHBondContact O-N 3.36Å; R68-I72 WeakPolarHBondContact O-CD1 3.4Å; R68-I72 WeakPolarHBondContact O-CG1 3.4Å; R68-I72 PolarHBondContact O-N 3.11Å; R68-I72 VanDerWaalsContact O-N 3.07Å
69L90.3Very high89.5Confident1 Ų161.2 Ų61.21%0.00533%0.33CS..Hα-helixtrans-61.2-41.2178-162.863.8000111.8L38 M55 A59 P65 Q66 E67 I72 I73L38-L69 HydrophobicContact CD1-CD1 3.65Å; L38-L69 HydrophobicContact CD2-CD1 3.76Å; L38-L69 HydrophobicContact CD2-CG 4.42Å; L38-L69 HydrophobicContact CG-CD1 4.32Å; M55-L69 HydrophobicContact CE-CD2 3.42Å; M55-L69 VanDerWaalsContact CE-CD2 3.42Å; M55-L69 HydrophobicContact CE-CG 3.84Å; A59-L69 HydrophobicContact CB-CD2 4.13Å; P65-L69 PolarHBondContact O-N 2.99Å; Q66-L69 WeakPolarHBondContact O-CB 3.32Å; Q66-L69 PolarHBondContact O-N 3.48Å; E67-L69 VanDerWaalsContact C-N 3.32Å; L69-I72 PolarHBondContact O-N 3.37Å; L69-I73 HydrophobicContact CG-CD1 4.06Å; L69-I73 WeakPolarHBondContact O-CD1 3.4Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 2.9Å
70S90.6Very high89.9Confident62 Ų6259.7 Ų59.743%0.43432%0.317SS..Hα-helixtrans-65-40.6177.873.40000112.2Q66 E67 R68 I73 A74Q66-S70 PolarHBondContact O-N 3.27Å; E67-S70 PolarHBondContact O-N 3.32Å; E67-S70 PolarHBondContact O-OG 2.95Å; R68-S70 VanDerWaalsContact C-N 3.32Å; R68-S70 PolarHBondContact O-N 2.84Å; S70-I73 PolarHBondContact O-N 3.49Å; S70-A74 VanDerWaalsContact O-CB 3.27Å; S70-A74 WeakPolarHBondContact O-CB 3.28Å; S70-A74 PolarHBondContact O-N 3.1Å
71H93.3Very high90.1Very high82 Ų8254.6 Ų54.638%0.3830%0.297SS..Hα-helixtrans-62.4-42.1174.2-71.6-48.8000112.7S22 E67 R68 G75S22-H71 VanDerWaalsContact OG-CG 3.23Å; S22-H71 PolarHBondContact OG-ND1 3.29Å; E67-H71 PolarHBondContact O-CD2 2.86Å; E67-H71 PolarHBondContact O-N 2.68Å; R68-H71 PolarHBondContact O-N 3.36Å; H71-G75 PolarHBondContact O-N 2.89Å
72I93.2Very high90.3Very high0 Ų051.9 Ų51.90%027%0.274CS..Hα-helixtrans-62.9-48.4178.1-66.9160.7000110.4N26 L27 V30 L38 R68 L69 G75 M76N26-I72 HydrophobicContact CB-CD1 4.37Å; N26-I72 HydrophobicContact CB-CG1 3.97Å; L27-I72 HydrophobicContact CD2-CG2 4.36Å; V30-I72 HydrophobicContact CG2-CD1 3.64Å; L38-I72 HydrophobicContact CD1-CG2 4.07Å; R68-I72 WeakPolarHBondContact O-CD1 3.4Å; R68-I72 WeakPolarHBondContact O-CG1 3.4Å; R68-I72 PolarHBondContact O-N 3.11Å; R68-I72 VanDerWaalsContact O-N 3.07Å; L69-I72 PolarHBondContact O-N 3.37Å; I72-G75 PolarHBondContact O-N 2.97Å; I72-M76 HydrophobicContact CG2-CE 3.52Å; I72-M76 HydrophobicContact CG2-CG 4.35Å; I72-M76 HydrophobicContact CG2-SD 3.91Å; I72-M76 WeakPolarHBondContact O-CB 3.49Å; I72-M76 WeakPolarHBondContact O-CG 3.26Å; I72-M76 PolarHBondContact O-N 3.44Å
73I92.9Very high90.8Very high35 Ų3550.8 Ų50.818%0.17927%0.266CS..Hα-helixtrans-64.6-43.7-179.1-70.4166000111.4L38 V42 M55 L69 S70 G75 M76 H77L38-I73 HydrophobicContact CD2-CD1 3.99Å; L38-I73 HydrophobicContact CD2-CG1 4.09Å; V42-I73 HydrophobicContact CG2-CG2 4.04Å; M55-I73 HydrophobicContact CE-CD1 3.1Å; M55-I73 HydrophobicContact SD-CD1 3.34Å; M55-I73 WeakPolarHBondContact SD-CD1 3.34Å; L69-I73 HydrophobicContact CG-CD1 4.06Å; L69-I73 WeakPolarHBondContact O-CD1 3.4Å; L69-I73 VanDerWaalsContact O-CG1 3.31Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 2.9Å; S70-I73 PolarHBondContact O-N 3.49Å; I73-G75 VanDerWaalsContact C-N 3.31Å; I73-G75 PolarHBondContact O-N 3.39Å; I73-M76 PolarHBondContact O-N 3.48Å; I73-H77 VanDerWaalsContact O-CB 3.27Å; I73-H77 WeakPolarHBondContact O-CB 3.22Å; I73-H77 PolarHBondContact O-N 2.68Å
74A93.4Very high91.2Very high41 Ų4144.2 Ų44.234%0.33923%0.226SC..Hα-helixtrans-60.2-43.3177.600000111.3E19 S70 R78E19-A74 HydrophobicContact CB-CB 4.29Å; E19-A74 HydrophobicContact CG-CB 4.45Å; S70-A74 VanDerWaalsContact O-CB 3.27Å; S70-A74 WeakPolarHBondContact O-CB 3.28Å; S70-A74 PolarHBondContact O-N 3.1Å; A74-R78 WeakPolarHBondContact O-CB 3.35Å; A74-R78 PolarHBondContact O-N 3.46Å
75G94.6Very high91.2Very high0 Ų050.9 Ų50.90%025%0.25CC..Hα-helixtrans-66.5-43.8175.500000113.1E19 M23 H71 I72 I73 H77 R78 V79E19-G75 WeakPolarHBondContact O-CA 3.45Å; M23-G75 VanDerWaalsContact SD-C 3.53Å; H71-G75 PolarHBondContact O-N 2.89Å; I72-G75 PolarHBondContact O-N 2.97Å; I73-G75 VanDerWaalsContact C-N 3.31Å; I73-G75 PolarHBondContact O-N 3.39Å; G75-H77 PolarHBondContact O-N 3.2Å; G75-R78 PolarHBondContact O-N 3.38Å; G75-V79 WeakPolarHBondContact O-CG2 3.45Å; G75-V79 PolarHBondContact O-N 3.04Å
76M95.4Very high91.1Very high0 Ų049.3 Ų49.30%024%0.237CC..Hα-helixtrans-59.4-47.4176-75.7173172.700111.3M23 F35 L38 V42 I72 I73 R78 V79 L80 F113M23-M76 HydrophobicContact SD-CB 4.45Å; M23-M76 HydrophobicContact SD-CG 3.84Å; M23-M76 PolarHBondContact SD-N 3.05Å; F35-M76 HydrophobicContact CD2-CE 3.25Å; F35-M76 HydrophobicContact CE1-CE 4.43Å; F35-M76 HydrophobicContact CE2-CE 3.17Å; F35-M76 HydrophobicContact CG-CE 3.96Å; F35-M76 HydrophobicContact CZ-CE 3.79Å; L38-M76 HydrophobicContact CB-CE 3.93Å; L38-M76 HydrophobicContact CB-SD 3.79Å; L38-M76 HydrophobicContact CD1-CE 4.39Å; V42-M76 HydrophobicContact CG1-CB 4.37Å; V42-M76 HydrophobicContact CG2-CB 4Å; V42-M76 HydrophobicContact CG2-SD 4.34Å; I72-M76 HydrophobicContact CG2-CE 3.52Å; I72-M76 HydrophobicContact CG2-CG 4.35Å; I72-M76 HydrophobicContact CG2-SD 3.91Å; I72-M76 WeakPolarHBondContact O-CB 3.49Å; I72-M76 WeakPolarHBondContact O-CG 3.26Å; I72-M76 PolarHBondContact O-N 3.44Å; I73-M76 PolarHBondContact O-N 3.48Å; M76-R78 VanDerWaalsContact C-N 3.31Å; M76-R78 PolarHBondContact O-N 3.03Å; M76-V79 PolarHBondContact O-N 3.23Å; M76-L80 WeakPolarHBondContact O-CG 3.29Å; M76-L80 PolarHBondContact O-N 2.91Å; M76-F113 HydrophobicContact CB-CE1 4.32Å; M76-F113 HydrophobicContact CB-CZ 4.35Å; M76-F113 HydrophobicContact CG-CE1 4.19Å; M76-F113 HydrophobicContact CG-CZ 3.85Å
77H94.3Very high90.9Very high79 Ų7945 Ų4537%0.36622%0.222SC..Hα-helixtrans-59.4-45.4177.3-177.9-78.2000110.6V42 L46 I73 G75 S81V42-H77 HydrophobicContact CG1-CB 3.95Å; L46-H77 VanDerWaalsContact CD2-NE2 3.32Å; L46-H77 WeakPolarHBondContact CD2-NE2 3.44Å; I73-H77 VanDerWaalsContact O-CB 3.27Å; I73-H77 WeakPolarHBondContact O-CB 3.22Å; I73-H77 PolarHBondContact O-N 2.68Å; G75-H77 PolarHBondContact O-N 3.2Å; H77-S81 PolarHBondContact CE1-OG 3.4Å; H77-S81 VanDerWaalsContact CE1-OG 3.3Å; H77-S81 PolarHBondContact ND1-OG 2.97Å; H77-S81 VanDerWaalsContact O-CB 3.26Å; H77-S81 WeakPolarHBondContact O-CB 3.19Å; H77-S81 PolarHBondContact O-N 2.99Å; H77-S81 PolarHBondContact O-OG 3.4Å
78R93.6Very high90.4Very high79 Ų7940 Ų4030%0.29821%0.208SC..Hα-helixtrans-64.9-48178.7-178.665.986.5141.67.8112.2P17 E19 I20 A74 G75 M76 L80 S81 E82P17-R78 HydrophobicContact CB-CG 3.87Å; P17-R78 HydrophobicContact CG-CG 4.01Å; E19-R78 HydrophobicContact CB-CB 4.37Å; E19-R78 IonicContact OE1-CZ 3.59Å; E19-R78 IonicContact OE1-NE 3.85Å; E19-R78 IonicContact OE1-NH2 3.94Å; E19-R78 PolarHBondContact OE1-NH2 2.99Å; E19-R78 IonicContact OE2-CZ 3.75Å; E19-R78 IonicContact OE2-NE 3.61Å; E19-R78 IonicContact OE2-NH2 3.67Å; I20-R78 HydrophobicContact CD1-CB 4.46Å; I20-R78 HydrophobicContact CD1-CG 3.85Å; I20-R78 HydrophobicContact CG1-CB 4.05Å; I20-R78 HydrophobicContact CG1-CG 3.76Å; A74-R78 WeakPolarHBondContact O-CB 3.35Å; A74-R78 PolarHBondContact O-N 3.46Å; G75-R78 PolarHBondContact O-N 3.38Å; M76-R78 VanDerWaalsContact C-N 3.31Å; M76-R78 PolarHBondContact O-N 3.03Å; R78-L80 VanDerWaalsContact C-N 3.32Å; R78-L80 PolarHBondContact O-N 3.47Å; R78-S81 PolarHBondContact O-N 3.39Å; R78-E82 WeakPolarHBondContact CD-OE1 3.3Å; R78-E82 HydrophobicContact CG-CG 4.32Å; R78-E82 IonicContact CZ-OE1 3.7Å; R78-E82 IonicContact NH1-OE1 3.72Å; R78-E82 PolarHBondContact NH1-OE1 2.93Å; R78-E82 WeakPolarHBondContact O-CG 3.39Å; R78-E82 PolarHBondContact O-N 3.47Å
79V94.4Very high89.8Confident0 Ų042.2 Ų42.20%023%0.233CC..Hα-helixtrans-53.6-51.1176.9166.60000110.4F11 I20 M23 G75 M76 A83 F96 L100 F113F11-V79 HydrophobicContact CZ-CG1 4.28Å; I20-V79 HydrophobicContact CD1-CG2 3.68Å; I20-V79 HydrophobicContact CG1-CG2 3.88Å; I20-V79 HydrophobicContact CG2-CG2 4.01Å; M23-V79 HydrophobicContact CE-CG2 3.94Å; G75-V79 WeakPolarHBondContact O-CG2 3.45Å; G75-V79 PolarHBondContact O-N 3.04Å; M76-V79 PolarHBondContact O-N 3.23Å; V79-A83 VanDerWaalsContact O-CB 3.29Å; V79-A83 WeakPolarHBondContact O-CB 3.44Å; V79-A83 PolarHBondContact O-N 3.32Å; V79-F96 HydrophobicContact CG1-CE2 4.44Å; V79-F96 HydrophobicContact CG1-CZ 4.27Å; V79-L100 HydrophobicContact CG1-CD2 4.03Å; V79-F113 HydrophobicContact CB-CE1 4.33Å; V79-F113 HydrophobicContact CB-CZ 4.5Å; V79-F113 HydrophobicContact CG1-CD1 4.09Å; V79-F113 HydrophobicContact CG1-CE1 4.04Å; V79-F113 HydrophobicContact CG1-CG 4.47Å; V79-F113 HydrophobicContact CG1-CZ 4.35Å
80L93.4Very high89.3Confident0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-65.8-43.8-179.9-70.5-179.5000111.7L39 V42 V43 L46 M76 R78 E82 A83 I84 F113 V116 V117L39-L80 HydrophobicContact CD1-CD1 3.8Å; V42-L80 HydrophobicContact CG1-CD1 3.9Å; V43-L80 HydrophobicContact CG2-CD1 3.95Å; L46-L80 HydrophobicContact CD1-CB 3.59Å; L46-L80 HydrophobicContact CD1-CD1 3.9Å; L46-L80 HydrophobicContact CD1-CG 4.43Å; M76-L80 WeakPolarHBondContact O-CG 3.29Å; M76-L80 PolarHBondContact O-N 2.91Å; R78-L80 VanDerWaalsContact C-N 3.32Å; R78-L80 PolarHBondContact O-N 3.47Å; L80-E82 PolarHBondContact O-N 3.47Å; L80-A83 PolarHBondContact O-N 2.97Å; L80-I84 HydrophobicContact CB-CD1 4.08Å; L80-I84 VanDerWaalsContact O-CB 3.31Å; L80-I84 WeakPolarHBondContact O-CB 3.23Å; L80-I84 WeakPolarHBondContact O-CD1 3.15Å; L80-I84 WeakPolarHBondContact O-CG1 3.11Å; L80-I84 PolarHBondContact O-N 2.8Å; L80-F113 HydrophobicContact CD2-CD1 3.93Å; L80-F113 HydrophobicContact CD2-CE1 4.46Å; L80-F113 HydrophobicContact CG-CD1 4.24Å; L80-F113 HydrophobicContact CG-CE1 4.28Å; L80-V116 HydrophobicContact CD1-CG1 4.24Å; L80-V116 HydrophobicContact CD2-CB 4.26Å; L80-V116 HydrophobicContact CD2-CG1 3.82Å; L80-V117 HydrophobicContact CD2-CG2 3.72Å
81S90.4Very high89.1Confident34 Ų3444 Ų4424%0.23824%0.237CC..Hα-helixtrans-59.8-46.6-179.7-59.80000112.3H77 R78 I84 R85H77-S81 PolarHBondContact CE1-OG 3.4Å; H77-S81 VanDerWaalsContact CE1-OG 3.3Å; H77-S81 PolarHBondContact ND1-OG 2.97Å; H77-S81 VanDerWaalsContact O-CB 3.26Å; H77-S81 WeakPolarHBondContact O-CB 3.19Å; H77-S81 PolarHBondContact O-N 2.99Å; H77-S81 PolarHBondContact O-OG 3.4Å; R78-S81 PolarHBondContact O-N 3.39Å; S81-I84 PolarHBondContact O-N 3.46Å; S81-R85 PolarHBondContact O-N 3Å
82E89.7Confident88.8Confident35 Ų3546 Ų4616%0.16425%0.245CC..Hα-helixtrans-68.4-38.4178.6-60.1-57.7159.600111.3F11 L12 R78 L80 I84 R85F11-E82 HydrophobicContact CD2-CB 4.22Å; F11-E82 HydrophobicContact CE2-CB 4.25Å; L12-E82 HydrophobicContact CD2-CB 4.08Å; L12-E82 HydrophobicContact CD2-CG 4.18Å; R78-E82 WeakPolarHBondContact CD-OE1 3.3Å; R78-E82 HydrophobicContact CG-CG 4.32Å; R78-E82 IonicContact CZ-OE1 3.7Å; R78-E82 IonicContact NH1-OE1 3.72Å; R78-E82 PolarHBondContact NH1-OE1 2.93Å; R78-E82 WeakPolarHBondContact O-CG 3.39Å; R78-E82 PolarHBondContact O-N 3.47Å; L80-E82 PolarHBondContact O-N 3.47Å; E82-I84 VanDerWaalsContact C-N 3.33Å; E82-I84 PolarHBondContact O-N 3.1Å; E82-R85 PolarHBondContact O-N 3.46Å
83A90.8Very high88.6Confident0 Ų050 Ų500%026%0.264CS..Hα-helixtrans-67.7-32.6175.900000112.7F11 V79 L80 L91 F96 V117 R122F11-A83 HydrophobicContact CD2-CB 4.26Å; F11-A83 HydrophobicContact CE2-CB 4.22Å; V79-A83 VanDerWaalsContact O-CB 3.29Å; V79-A83 WeakPolarHBondContact O-CB 3.44Å; V79-A83 PolarHBondContact O-N 3.32Å; L80-A83 PolarHBondContact O-N 2.97Å; A83-L91 HydrophobicContact CB-CD2 4.17Å; A83-F96 HydrophobicContact CB-CD2 4.43Å; A83-F96 HydrophobicContact CB-CE2 3.79Å; A83-F96 HydrophobicContact CB-CZ 4.47Å; A83-V117 HydrophobicContact CB-CG1 4.07Å; A83-V117 HydrophobicContact CB-CG2 3.9Å; A83-R122 PolarHBondContact O-NH1 3.05Å; A83-R122 PolarHBondContact O-NH2 3.25Å
84I89.6Confident88.4Confident12 Ų1253.3 Ų53.36%0.06228%0.278CS..Hα-helixtrans-77.3-29.7179.1-64155.2000112.5L46 L80 S81 E82 I86 R122 L125 E126L46-I84 HydrophobicContact CD1-CD1 4.09Å; L80-I84 HydrophobicContact CB-CD1 4.08Å; L80-I84 VanDerWaalsContact O-CB 3.31Å; L80-I84 WeakPolarHBondContact O-CB 3.23Å; L80-I84 WeakPolarHBondContact O-CD1 3.15Å; L80-I84 WeakPolarHBondContact O-CG1 3.11Å; L80-I84 PolarHBondContact O-N 2.8Å; S81-I84 PolarHBondContact O-N 3.46Å; E82-I84 VanDerWaalsContact C-N 3.33Å; E82-I84 PolarHBondContact O-N 3.1Å; I84-I86 VanDerWaalsContact C-N 3.25Å; I84-I86 PolarHBondContact O-N 3.03Å; I84-R122 VanDerWaalsContact CA-CZ 3.5Å; I84-R122 VanDerWaalsContact CA-NH1 3.31Å; I84-R122 PolarHBondContact O-NH2 3.32Å; I84-L125 HydrophobicContact CD1-CB 3.94Å; I84-L125 HydrophobicContact CD1-CD1 3.82Å; I84-L125 HydrophobicContact CD1-CD2 4.19Å; I84-L125 HydrophobicContact CD1-CG 4.2Å; I84-L125 HydrophobicContact CG1-CB 4.41Å; I84-L125 HydrophobicContact CG2-CB 4.24Å; I84-E126 HydrophobicContact CG2-CG 4.14Å
85R85Confident88.1Confident156 Ų15653.7 Ų53.759%0.58928%0.281SS*.Hα-helixtrans-64.7-29.2175179.7174.3-96.9168.2-8.5113S81 E82 D133S81-R85 PolarHBondContact O-N 3Å; E82-R85 PolarHBondContact O-N 3.46Å; R85-D133 IonicContact NH2-OD1 2.94Å
86I84.5Confident87.9Confident45 Ų4553.7 Ų53.723%0.23128%0.281CS..SBendtrans-85.9126.1178.1-58.5172.2000109.1F11 I84 A88 L90 L91 R122F11-I86 HydrophobicContact CB-CD1 3.74Å; I84-I86 VanDerWaalsContact C-N 3.25Å; I84-I86 PolarHBondContact O-N 3.03Å; I86-A88 PolarHBondContact O-N 3.28Å; I86-L90 HydrophobicContact CG2-CB 3.98Å; I86-L91 HydrophobicContact CD1-CD1 4.39Å; I86-L91 HydrophobicContact CG2-CB 4.02Å; I86-R122 PolarHBondContact O-NH2 2.96Å
87P81.8Confident87.8Confident64 Ų6455.4 Ų55.442%0.41629%0.289SS..  trans-51.3139.1175.7-27.333.5000112.8S89 L90 L91P87-S89 PolarHBondContact O-N 2.71Å; P87-L90 HydrophobicContact CB-CD1 4.36Å; P87-L90 HydrophobicContact CB-CG 4.39Å; P87-L90 HydrophobicContact CG-CD1 4.12Å; P87-L90 PolarHBondContact O-N 2.63Å; P87-L91 PolarHBondContact O-N 2.85Å
88A78.4Confident87.6Confident52 Ų5256.2 Ų56.243%0.4329%0.293SS..THydrogen-bonded Turntrans-59.2-23.7-178.300000113.9I86 L90I86-A88 PolarHBondContact O-N 3.28Å; A88-L90 VanDerWaalsContact C-N 3.31Å
89S76.9Confident87.4Confident109 Ų10953.6 Ų53.676%0.76229%0.285SS*.THydrogen-bonded Turntrans-70.2-25174.353.10000113.8P87P87-S89 PolarHBondContact O-N 2.71Å
90L80Confident87.3Confident86 Ų8653.6 Ų53.645%0.4529%0.285SS..THydrogen-bonded Turntrans-98.4-31.3-176.5-62.1179000112.1I86 P87 A88 K92I86-L90 HydrophobicContact CG2-CB 3.98Å; P87-L90 HydrophobicContact CB-CD1 4.36Å; P87-L90 HydrophobicContact CB-CG 4.39Å; P87-L90 HydrophobicContact CG-CD1 4.12Å; P87-L90 PolarHBondContact O-N 2.63Å; A88-L90 VanDerWaalsContact C-N 3.31Å; L90-K92 PolarHBondContact O-N 2.71Å
91L85.1Confident87.2Confident16 Ų1657.4 Ų57.48%0.08430%0.299CS..SBendtrans-81.5108.1179.4-171.267.7000110.3F11 A83 I86 P87 F96 V117 F118F11-L91 HydrophobicContact CB-CD1 3.71Å; F11-L91 HydrophobicContact CG-CD1 4.47Å; A83-L91 HydrophobicContact CB-CD2 4.17Å; I86-L91 HydrophobicContact CD1-CD1 4.39Å; I86-L91 HydrophobicContact CG2-CB 4.02Å; P87-L91 PolarHBondContact O-N 2.85Å; L91-F96 HydrophobicContact CD1-CB 4.44Å; L91-F96 HydrophobicContact CD2-CD2 4.3Å; L91-V117 HydrophobicContact CD2-CG1 3.66Å; L91-F118 HydrophobicContact CB-CE1 4.44Å; L91-F118 HydrophobicContact CD2-CE1 4.19Å; L91-F118 HydrophobicContact CD2-CZ 3.75Å; L91-F118 HydrophobicContact CG-CE1 4.22Å; L91-F118 HydrophobicContact CG-CZ 3.84Å; L91-F118 VanDerWaalsContact O-CE1 3.3Å; L91-F118 WeakPolarHBondContact O-CE1 3.38Å
92K87.6Confident87.3Confident124 Ų12461.8 Ų61.854%0.53932%0.316SS..  trans-79.1132.6174.8-65-176.2179.7-176.90110.6L90 E94 A95 F96L90-K92 PolarHBondContact O-N 2.71Å; K92-E94 PolarHBondContact O-N 2.71Å; K92-A95 HydrophobicContact CB-CB 4.08Å; K92-A95 PolarHBondContact O-N 3.09Å; K92-F96 PolarHBondContact O-N 2.92Å
93Q88.8Confident87.2Confident84 Ų8460.9 Ų60.939%0.39331%0.312SS..Hα-helixtrans-59-42.8-178.3-175.3175.534.900113.2F96 K97 F118Q93-F96 PolarHBondContact O-N 3.44Å; Q93-K97 WeakPolarHBondContact O-CG 3.07Å; Q93-K97 PolarHBondContact O-N 3.2Å; Q93-F118 VanDerWaalsContact CA-CZ 3.46Å; Q93-F118 HydrophobicContact CB-CD1 4.39Å; Q93-F118 HydrophobicContact CB-CD2 4.13Å; Q93-F118 HydrophobicContact CB-CE1 4.2Å; Q93-F118 HydrophobicContact CB-CE2 3.93Å; Q93-F118 HydrophobicContact CB-CG 4.36Å; Q93-F118 HydrophobicContact CB-CZ 3.96Å; Q93-F118 HydrophobicContact CG-CD2 3.77Å; Q93-F118 HydrophobicContact CG-CE2 3.82Å; Q93-F118 HydrophobicContact CG-CG 4.29Å; Q93-F118 HydrophobicContact CG-CZ 4.37Å
94E88.2Confident87.2Confident104 Ų10471.3 Ų71.349%0.48635%0.351SS..Hα-helixtrans-69.5-38.3179.9-65.4-52.6125.700112.4K92 F96 K97 E98K92-E94 PolarHBondContact O-N 2.71Å; E94-F96 VanDerWaalsContact C-N 3.33Å; E94-F96 PolarHBondContact O-N 3.45Å; E94-K97 PolarHBondContact O-N 2.87Å; E94-K97 IonicContact OE1-NZ 2.67Å; E94-K97 PolarHBondContact OE1-NZ 3.31Å; E94-E98 WeakPolarHBondContact O-CG 3.3Å; E94-E98 PolarHBondContact O-N 3.39Å
95A87.3Confident87.3Confident49 Ų4971.2 Ų71.241%0.40535%0.351SS..Hα-helixtrans-63-41174.100000111.6K92 K97 E98 D99K92-A95 HydrophobicContact CB-CB 4.08Å; K92-A95 PolarHBondContact O-N 3.09Å; A95-K97 PolarHBondContact O-N 3.24Å; A95-E98 PolarHBondContact O-N 3.31Å; A95-D99 PolarHBondContact O-N 2.89Å
96F90.8Very high87.7Confident0 Ų066.3 Ų66.30%034%0.339CS..Hα-helixtrans-61-42.9174.7176.8-102.6000112.3F11 V79 A83 L91 K92 Q93 E94 L100 F113 V117 F118F11-F96 AromaticContact CD1-CD2 3.68Å; F11-F96 HydrophobicContact CD1-CD2 3.68Å; F11-F96 HydrophobicContact CD1-CE2 4.15Å; F11-F96 HydrophobicContact CD2-CE2 4.46Å; F11-F96 AromaticContact CE1-CD2 3.62Å; F11-F96 HydrophobicContact CE1-CD2 3.62Å; F11-F96 AromaticContact CE1-CE2 3.7Å; F11-F96 HydrophobicContact CE1-CE2 3.7Å; F11-F96 HydrophobicContact CE2-CD2 4.43Å; F11-F96 HydrophobicContact CE2-CE2 4.01Å; F11-F96 HydrophobicContact CG-CD2 4.17Å; F11-F96 HydrophobicContact CZ-CD2 4.03Å; F11-F96 AromaticContact CZ-CE2 3.63Å; F11-F96 HydrophobicContact CZ-CE2 3.63Å; V79-F96 HydrophobicContact CG1-CE2 4.44Å; V79-F96 HydrophobicContact CG1-CZ 4.27Å; A83-F96 HydrophobicContact CB-CD2 4.43Å; A83-F96 HydrophobicContact CB-CE2 3.79Å; A83-F96 HydrophobicContact CB-CZ 4.47Å; L91-F96 HydrophobicContact CD1-CB 4.44Å; L91-F96 HydrophobicContact CD2-CD2 4.3Å; K92-F96 PolarHBondContact O-N 2.92Å; Q93-F96 PolarHBondContact O-N 3.44Å; E94-F96 VanDerWaalsContact C-N 3.33Å; E94-F96 PolarHBondContact O-N 3.45Å; F96-L100 HydrophobicContact CD1-CD1 4.12Å; F96-L100 HydrophobicContact CE1-CD1 3.48Å; F96-L100 VanDerWaalsContact CE1-CD1 3.48Å; F96-L100 HydrophobicContact CE1-CG 4.33Å; F96-L100 HydrophobicContact CE2-CD1 4.3Å; F96-L100 HydrophobicContact CE2-CG 4.45Å; F96-L100 HydrophobicContact CZ-CD1 3.59Å; F96-L100 HydrophobicContact CZ-CD2 4.44Å; F96-L100 HydrophobicContact CZ-CG 4.22Å; F96-L100 WeakPolarHBondContact O-CG 3.4Å; F96-L100 PolarHBondContact O-N 2.75Å; F96-F113 HydrophobicContact CE1-CB 4.14Å; F96-F113 HydrophobicContact CZ-CB 4.26Å; F96-V117 HydrophobicContact CE1-CG2 4.25Å; F96-V117 HydrophobicContact CE2-CG2 4.42Å; F96-V117 HydrophobicContact CZ-CG2 3.85Å; F96-F118 HydrophobicContact CB-CE2 4.06Å; F96-F118 HydrophobicContact CB-CZ 4.07Å; F96-F118 AromaticContact CD1-CE2 3.76Å; F96-F118 HydrophobicContact CD1-CE2 3.76Å; F96-F118 HydrophobicContact CE1-CE2 4.46Å; F96-F118 HydrophobicContact CG-CE2 4.02Å; F96-F118 HydrophobicContact CG-CZ 4.36Å
97K92.8Very high88Confident35 Ų3568.1 Ų68.115%0.15235%0.347CS..Hα-helixtrans-64.9-45.4177.2-69176.3-172.8159.70111.8Q93 E94 A95 D99 L100 R101 I110Q93-K97 WeakPolarHBondContact O-CG 3.07Å; Q93-K97 PolarHBondContact O-N 3.2Å; E94-K97 PolarHBondContact O-N 2.87Å; E94-K97 IonicContact OE1-NZ 2.67Å; E94-K97 PolarHBondContact OE1-NZ 3.31Å; A95-K97 PolarHBondContact O-N 3.24Å; K97-D99 VanDerWaalsContact C-N 3.35Å; K97-D99 PolarHBondContact O-N 3.38Å; K97-L100 PolarHBondContact O-N 3.16Å; K97-R101 WeakPolarHBondContact O-CG 3.04Å; K97-R101 PolarHBondContact O-N 3.03Å; K97-I110 HydrophobicContact CB-CG2 3.91Å; K97-I110 HydrophobicContact CG-CG2 3.71Å
98E90.3Very high88.5Confident96 Ų9669.5 Ų69.545%0.44935%0.351SS..Hα-helixtrans-58.1-45.8176.7-75.3-58.2139.200111.8E94 A95 L100 R101 E102E94-E98 WeakPolarHBondContact O-CG 3.3Å; E94-E98 PolarHBondContact O-N 3.39Å; A95-E98 PolarHBondContact O-N 3.31Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 3.45Å; E98-R101 WeakPolarHBondContact O-CA 3.49Å; E98-R101 WeakPolarHBondContact O-CB 3.37Å; E98-R101 PolarHBondContact O-N 3.36Å; E98-R101 IonicContact OE1-CZ 2.71Å; E98-R101 IonicContact OE1-NH1 3.13Å; E98-R101 PolarHBondContact OE1-NH1 2.88Å; E98-E102 PolarHBondContact O-N 3.43Å
99D89.6Confident89.3Confident24 Ų2467.6 Ų67.613%0.12833%0.332CS..Hα-helixtrans-57.2-42.2175.8-78.8-3000112.1S10 F11 A95 K97 E102 L103S10-D99 WeakPolarHBondContact CA-OD2 3.35Å; S10-D99 VanDerWaalsContact CB-OD2 3.26Å; S10-D99 WeakPolarHBondContact CB-OD2 3.45Å; S10-D99 VanDerWaalsContact OG-CG 3.24Å; S10-D99 PolarHBondContact OG-OD2 2.84Å; F11-D99 HydrophobicContact CD1-CB 3.82Å; F11-D99 WeakPolarHBondContact CD1-OD2 3.41Å; F11-D99 HydrophobicContact CE1-CB 3.78Å; F11-D99 PolarHBondContact N-OD2 3.36Å; A95-D99 PolarHBondContact O-N 2.89Å; K97-D99 VanDerWaalsContact C-N 3.35Å; K97-D99 PolarHBondContact O-N 3.38Å; D99-E102 PolarHBondContact O-N 3.02Å; D99-L103 VanDerWaalsContact O-CG 3.3Å; D99-L103 WeakPolarHBondContact O-CG 3.49Å; D99-L103 PolarHBondContact O-N 3.43Å
100L92.3Very high90.1Very high0 Ų062.4 Ų62.40%030%0.296CS..Hα-helixtrans-69.9-32.4176.4-62.5-178.3000112.8F11 V79 F96 K97 E98 L103 I105 I110 F113F11-L100 HydrophobicContact CE1-CD2 4.13Å; F11-L100 HydrophobicContact CZ-CD2 4.04Å; V79-L100 HydrophobicContact CG1-CD2 4.03Å; F96-L100 HydrophobicContact CD1-CD1 4.12Å; F96-L100 HydrophobicContact CE1-CD1 3.48Å; F96-L100 VanDerWaalsContact CE1-CD1 3.48Å; F96-L100 HydrophobicContact CE1-CG 4.33Å; F96-L100 HydrophobicContact CE2-CD1 4.3Å; F96-L100 HydrophobicContact CE2-CG 4.45Å; F96-L100 HydrophobicContact CZ-CD1 3.59Å; F96-L100 HydrophobicContact CZ-CD2 4.44Å; F96-L100 HydrophobicContact CZ-CG 4.22Å; F96-L100 WeakPolarHBondContact O-CG 3.4Å; F96-L100 PolarHBondContact O-N 2.75Å; K97-L100 PolarHBondContact O-N 3.16Å; E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 3.45Å; L100-L103 HydrophobicContact CD2-CD1 4.19Å; L100-L103 WeakPolarHBondContact O-CB 3.31Å; L100-L103 PolarHBondContact O-N 2.95Å; L100-I105 HydrophobicContact CB-CD1 4.2Å; L100-I105 HydrophobicContact CD2-CD1 3.74Å; L100-I105 HydrophobicContact CG-CD1 4.47Å; L100-I105 WeakPolarHBondContact O-CB 3.41Å; L100-I105 PolarHBondContact O-N 3.45Å; L100-I110 HydrophobicContact CB-CD1 3.86Å; L100-I110 HydrophobicContact CB-CG1 3.72Å; L100-I110 HydrophobicContact CB-CG2 4.47Å; L100-I110 HydrophobicContact CD1-CB 4.45Å; L100-I110 HydrophobicContact CD1-CG1 4.17Å; L100-I110 HydrophobicContact CD1-CG2 4.21Å; L100-F113 HydrophobicContact CD1-CB 4.02Å; L100-F113 HydrophobicContact CD1-CD2 4.1Å; L100-F113 HydrophobicContact CD1-CG 4.35Å
101R92.6Very high90.8Very high80 Ų8061.4 Ų61.430%0.30229%0.294SS..Hα-helixtrans-65.7-41.8173.3-70.2176.9-172129.15.4111.1K97 E98 L103 R104 E107 I110K97-R101 WeakPolarHBondContact O-CG 3.04Å; K97-R101 PolarHBondContact O-N 3.03Å; E98-R101 WeakPolarHBondContact O-CA 3.49Å; E98-R101 WeakPolarHBondContact O-CB 3.37Å; E98-R101 PolarHBondContact O-N 3.36Å; E98-R101 IonicContact OE1-CZ 2.71Å; E98-R101 IonicContact OE1-NH1 3.13Å; E98-R101 PolarHBondContact OE1-NH1 2.88Å; R101-L103 PolarHBondContact O-N 3.36Å; R101-R104 WeakPolarHBondContact O-CA 3.49Å; R101-R104 PolarHBondContact O-N 3.47Å; R101-E107 IonicContact CZ-OE1 3.7Å; R101-E107 IonicContact CZ-OE2 3.51Å; R101-E107 IonicContact NE-OE1 3.27Å; R101-E107 IonicContact NE-OE2 3.94Å; R101-E107 PolarHBondContact NE-OE2 2.89Å; R101-E107 IonicContact NH2-OE1 3.56Å; R101-E107 PolarHBondContact NH2-OE1 2.81Å; R101-E107 IonicContact NH2-OE2 2.71Å; R101-I110 HydrophobicContact CB-CD1 4.38Å; R101-I110 HydrophobicContact CG-CD1 3.55Å
102E90.8Very high91.2Very high126 Ų12661.4 Ų61.459%0.58929%0.294SS*.Hα-helixtrans-60-32.8174.7-71-161.6172.500112.3K7 E98 D99 R104K7-E102 IonicContact NZ-OE2 3.98Å; E98-E102 PolarHBondContact O-N 3.43Å; D99-E102 PolarHBondContact O-N 3.02Å; E102-R104 PolarHBondContact O-N 2.81Å
103L89.4Confident91.5Very high16 Ų1655.5 Ų55.58%0.08427%0.268CS..THydrogen-bonded Turntrans-75.41.3174.9-65.8168.1000113.8L12 I16 I20 S24 D99 L100 R101 I105L12-L103 HydrophobicContact CD1-CD1 3.82Å; I16-L103 HydrophobicContact CD1-CD2 3.63Å; I16-L103 HydrophobicContact CG1-CD2 4.03Å; I16-L103 HydrophobicContact CG2-CD2 3.73Å; I20-L103 HydrophobicContact CG2-CD1 3.72Å; I20-L103 HydrophobicContact CG2-CD2 4.26Å; S24-L103 WeakPolarHBondContact CB-O 3.5Å; D99-L103 VanDerWaalsContact O-CG 3.3Å; D99-L103 WeakPolarHBondContact O-CG 3.49Å; D99-L103 PolarHBondContact O-N 3.43Å; L100-L103 HydrophobicContact CD2-CD1 4.19Å; L100-L103 WeakPolarHBondContact O-CB 3.31Å; L100-L103 PolarHBondContact O-N 2.95Å; R101-L103 PolarHBondContact O-N 3.36Å; L103-I105 VanDerWaalsContact C-N 3.27Å; L103-I105 HydrophobicContact CB-CD1 4.08Å; L103-I105 HydrophobicContact CB-CG1 4.14Å; L103-I105 HydrophobicContact CD1-CD1 4.36Å; L103-I105 PolarHBondContact O-N 3.47Å
104R89.8Confident91.8Very high220 Ų22051.7 Ų51.783%0.8325%0.251SS*.THydrogen-bonded Turntrans60.933.1-178-53.9179.4176.4176.5-2.4113.3R101 E102R101-R104 WeakPolarHBondContact O-CA 3.49Å; R101-R104 PolarHBondContact O-N 3.47Å; E102-R104 PolarHBondContact O-N 2.81Å
105I91.9Very high92Very high9 Ų950.1 Ų50.15%0.04625%0.252CS..  trans-79.9133.8172.6-61.9170.2000108.1M23 L27 L100 L103 F109 I110 F113M23-I105 HydrophobicContact CE-CD1 3.79Å; M23-I105 HydrophobicContact CE-CG1 4.46Å; L27-I105 HydrophobicContact CD1-CG1 4.22Å; L27-I105 HydrophobicContact CD1-CG2 4.16Å; L100-I105 HydrophobicContact CB-CD1 4.2Å; L100-I105 HydrophobicContact CD2-CD1 3.74Å; L100-I105 HydrophobicContact CG-CD1 4.47Å; L100-I105 WeakPolarHBondContact O-CB 3.41Å; L100-I105 PolarHBondContact O-N 3.45Å; L103-I105 VanDerWaalsContact C-N 3.27Å; L103-I105 HydrophobicContact CB-CD1 4.08Å; L103-I105 HydrophobicContact CB-CG1 4.14Å; L103-I105 HydrophobicContact CD1-CD1 4.36Å; L103-I105 PolarHBondContact O-N 3.47Å; I105-F109 HydrophobicContact CG2-CB 3.9Å; I105-I110 HydrophobicContact CB-CD1 4.44Å; I105-I110 HydrophobicContact CB-CG1 4.2Å; I105-I110 HydrophobicContact CG2-CG1 3.94Å; I105-I110 WeakPolarHBondContact O-CD1 3.31Å; I105-F113 HydrophobicContact CG2-CE2 4.48Å
106P92.4Very high92.2Very high53 Ų5348.4 Ų48.434%0.34424%0.236SC..  trans-56.6142.2176-27.134.7000113.5D108 F109 I110P106-D108 VanDerWaalsContact C-N 3.27Å; P106-D108 PolarHBondContact O-N 2.83Å; P106-F109 HydrophobicContact CB-CD2 3.97Å; P106-F109 HydrophobicContact CB-CE2 4.23Å; P106-F109 HydrophobicContact CB-CG 4.33Å; P106-F109 HydrophobicContact CG-CD2 3.78Å; P106-F109 HydrophobicContact CG-CE2 3.83Å; P106-F109 WeakPolarHBondContact O-CB 3.28Å; P106-F109 PolarHBondContact O-N 3.28Å; P106-I110 WeakPolarHBondContact O-CG1 3.17Å; P106-I110 PolarHBondContact O-N 3.26Å; P106-I110 VanDerWaalsContact O-N 3.12Å
107E91.6Very high92.3Very high84 Ų8448.4 Ų48.439%0.39324%0.236SC..Hα-helixtrans-58.2-37.8-175.4-166.664.8-156.800112.7R101 F109 I110 T111R101-E107 IonicContact CZ-OE1 3.7Å; R101-E107 IonicContact CZ-OE2 3.51Å; R101-E107 IonicContact NE-OE1 3.27Å; R101-E107 IonicContact NE-OE2 3.94Å; R101-E107 PolarHBondContact NE-OE2 2.89Å; R101-E107 IonicContact NH2-OE1 3.56Å; R101-E107 PolarHBondContact NH2-OE1 2.81Å; R101-E107 IonicContact NH2-OE2 2.71Å; E107-F109 VanDerWaalsContact C-N 3.26Å; E107-F109 PolarHBondContact O-N 3Å; E107-I110 WeakPolarHBondContact O-CB 3.37Å; E107-I110 PolarHBondContact O-N 3.35Å; E107-I110 VanDerWaalsContact O-N 3.1Å; E107-T111 WeakPolarHBondContact O-CG2 3.39Å; E107-T111 PolarHBondContact O-N 3.35Å
108D92.4Very high92.2Very high93 Ų9349.7 Ų49.750%0.49724%0.242SC..Hα-helixtrans-56.3-42176.2-64.5-33.7000111.8P106 T111 D112P106-D108 VanDerWaalsContact C-N 3.27Å; P106-D108 PolarHBondContact O-N 2.83Å; D108-T111 PolarHBondContact O-N 3.3Å; D108-T111 PolarHBondContact O-OG1 3.34Å; D108-D112 PolarHBondContact O-N 2.92Å
109F94.3Very high92.1Very high11 Ų1146.3 Ų46.35%0.04823%0.233CC..Hα-helixtrans-75.4-30.8179.5-59.5-14000112.1L27 V30 Q32 F35 I105 P106 E107 T111 D112 F113L27-F109 HydrophobicContact CB-CE2 4.34Å; L27-F109 HydrophobicContact CD1-CD2 4.23Å; L27-F109 HydrophobicContact CD2-CD2 4.17Å; L27-F109 HydrophobicContact CD2-CE2 4.08Å; V30-F109 HydrophobicContact CB-CZ 4.48Å; V30-F109 WeakPolarHBondContact O-CZ 3.29Å; Q32-F109 HydrophobicContact CB-CE1 4.45Å; F35-F109 HydrophobicContact CB-CD1 4Å; F35-F109 HydrophobicContact CB-CE1 3.72Å; F35-F109 HydrophobicContact CB-CZ 4.14Å; F35-F109 HydrophobicContact CD1-CB 4.25Å; F35-F109 AromaticContact CD1-CD1 3.62Å; F35-F109 HydrophobicContact CD1-CD1 3.62Å; F35-F109 HydrophobicContact CD1-CE1 4.24Å; F35-F109 AromaticContact CD1-CG 3.98Å; F35-F109 HydrophobicContact CD1-CG 3.98Å; F35-F109 HydrophobicContact CD2-CB 4.23Å; F35-F109 AromaticContact CD2-CD1 3.76Å; F35-F109 HydrophobicContact CD2-CD1 3.76Å; F35-F109 AromaticContact CD2-CD2 3.65Å; F35-F109 HydrophobicContact CD2-CD2 3.65Å; F35-F109 HydrophobicContact CD2-CE1 4.03Å; F35-F109 AromaticContact CD2-CE2 3.91Å; F35-F109 HydrophobicContact CD2-CE2 3.91Å; F35-F109 AromaticContact CD2-CG 3.59Å; F35-F109 HydrophobicContact CD2-CG 3.59Å; F35-F109 HydrophobicContact CD2-CZ 4.1Å; F35-F109 HydrophobicContact CE1-CB 3.76Å; F35-F109 HydrophobicContact CE1-CD1 4.04Å; F35-F109 AromaticContact CE1-CG 3.98Å; F35-F109 HydrophobicContact CE1-CG 3.98Å; F35-F109 HydrophobicContact CE2-CB 3.72Å; F35-F109 HydrophobicContact CE2-CD1 4.15Å; F35-F109 AromaticContact CE2-CD2 3.69Å; F35-F109 HydrophobicContact CE2-CD2 3.69Å; F35-F109 HydrophobicContact CE2-CE2 4.38Å; F35-F109 AromaticContact CE2-CG 3.57Å; F35-F109 HydrophobicContact CE2-CG 3.57Å; F35-F109 HydrophobicContact CG-CB 4.49Å; F35-F109 AromaticContact CG-CD1 3.49Å; F35-F109 HydrophobicContact CG-CD1 3.49Å; F35-F109 VanDerWaalsContact CG-CD1 3.49Å; F35-F109 HydrophobicContact CG-CD2 4.26Å; F35-F109 AromaticContact CG-CE1 3.73Å; F35-F109 HydrophobicContact CG-CE1 3.73Å; F35-F109 HydrophobicContact CG-CE2 4.44Å; F35-F109 AromaticContact CG-CG 3.82Å; F35-F109 HydrophobicContact CG-CG 3.82Å; F35-F109 HydrophobicContact CG-CZ 4.2Å; F35-F109 HydrophobicContact CZ-CB 3.49Å; F35-F109 VanDerWaalsContact CZ-CB 3.49Å; F35-F109 HydrophobicContact CZ-CD1 4.31Å; F35-F109 HydrophobicContact CZ-CD2 4.36Å; F35-F109 AromaticContact CZ-CG 3.81Å; F35-F109 HydrophobicContact CZ-CG 3.81Å; I105-F109 HydrophobicContact CG2-CB 3.9Å; P106-F109 HydrophobicContact CB-CD2 3.97Å; P106-F109 HydrophobicContact CB-CE2 4.23Å; P106-F109 HydrophobicContact CB-CG 4.33Å; P106-F109 HydrophobicContact CG-CD2 3.78Å; P106-F109 HydrophobicContact CG-CE2 3.83Å; P106-F109 WeakPolarHBondContact O-CB 3.28Å; P106-F109 PolarHBondContact O-N 3.28Å; E107-F109 VanDerWaalsContact C-N 3.26Å; E107-F109 PolarHBondContact O-N 3Å; F109-T111 VanDerWaalsContact C-N 3.32Å; F109-D112 PolarHBondContact O-N 3.43Å; F109-F113 VanDerWaalsContact O-CD2 3.23Å; F109-F113 WeakPolarHBondContact O-CD2 3.5Å; F109-F113 PolarHBondContact O-N 3.1Å
110I94.4Very high92Very high0 Ų053.3 Ų53.30%027%0.27CS..Hα-helixtrans-63.3-40.8174.3-66.6175.4000110.4K97 L100 R101 I105 P106 E107 F113 S114K97-I110 HydrophobicContact CB-CG2 3.91Å; K97-I110 HydrophobicContact CG-CG2 3.71Å; L100-I110 HydrophobicContact CB-CD1 3.86Å; L100-I110 HydrophobicContact CB-CG1 3.72Å; L100-I110 HydrophobicContact CB-CG2 4.47Å; L100-I110 HydrophobicContact CD1-CB 4.45Å; L100-I110 HydrophobicContact CD1-CG1 4.17Å; L100-I110 HydrophobicContact CD1-CG2 4.21Å; R101-I110 HydrophobicContact CB-CD1 4.38Å; R101-I110 HydrophobicContact CG-CD1 3.55Å; I105-I110 HydrophobicContact CB-CD1 4.44Å; I105-I110 HydrophobicContact CB-CG1 4.2Å; I105-I110 HydrophobicContact CG2-CG1 3.94Å; I105-I110 WeakPolarHBondContact O-CD1 3.31Å; P106-I110 WeakPolarHBondContact O-CG1 3.17Å; P106-I110 PolarHBondContact O-N 3.26Å; P106-I110 VanDerWaalsContact O-N 3.12Å; E107-I110 WeakPolarHBondContact O-CB 3.37Å; E107-I110 PolarHBondContact O-N 3.35Å; E107-I110 VanDerWaalsContact O-N 3.1Å; I110-F113 PolarHBondContact O-N 3.47Å; I110-S114 VanDerWaalsContact O-CB 3.3Å; I110-S114 WeakPolarHBondContact O-CB 3.09Å; I110-S114 PolarHBondContact O-N 2.69Å; I110-S114 PolarHBondContact O-OG 3.33Å
111T94.1Very high91.6Very high66 Ų6658.6 Ų58.641%0.40529%0.29SS..Hα-helixtrans-64-42.3175.667.90000111.8E107 D108 F109 S114 S115E107-T111 WeakPolarHBondContact O-CG2 3.39Å; E107-T111 PolarHBondContact O-N 3.35Å; D108-T111 PolarHBondContact O-N 3.3Å; D108-T111 PolarHBondContact O-OG1 3.34Å; F109-T111 VanDerWaalsContact C-N 3.32Å; T111-S114 PolarHBondContact O-N 3.27Å; T111-S115 PolarHBondContact O-N 3.32Å
112D94.3Very high91.4Very high16 Ų1655.5 Ų55.59%0.08628%0.278CS..Hα-helixtrans-63.8-45.7177.2-72.8-36.7000111F35 R36 L39 D108 F109 S114 S115 V116F35-D112 HydrophobicContact CD1-CB 4.32Å; F35-D112 HydrophobicContact CE1-CB 3.87Å; R36-D112 WeakPolarHBondContact CG-OD2 3.01Å; R36-D112 IonicContact CZ-OD1 2.8Å; R36-D112 IonicContact NE-OD1 3.65Å; R36-D112 PolarHBondContact NE-OD1 2.88Å; R36-D112 IonicContact NE-OD2 3.53Å; R36-D112 PolarHBondContact NE-OD2 3.33Å; R36-D112 IonicContact NH2-OD1 2.71Å; R36-D112 PolarHBondContact NH2-OD1 3.49Å; R36-D112 IonicContact NH2-OD2 2.85Å; L39-D112 HydrophobicContact CD2-CB 3.88Å; D108-D112 PolarHBondContact O-N 2.92Å; F109-D112 PolarHBondContact O-N 3.43Å; D112-S114 PolarHBondContact O-N 2.94Å; D112-S115 PolarHBondContact O-N 2.78Å; D112-S115 PolarHBondContact O-OG 3.31Å; D112-V116 PolarHBondContact O-N 3.36Å
113F94.6Very high91.2Very high0 Ų052.7 Ų52.70%028%0.277CS..Hα-helixtrans-59.8-46173.3-81.9-58.6000112.3M23 F35 L39 M76 V79 L80 F96 L100 I105 F109 I110 S115 V116 V117M23-F113 HydrophobicContact CE-CZ 4.4Å; M23-F113 HydrophobicContact SD-CZ 4.33Å; F35-F113 HydrophobicContact CE2-CE2 4.17Å; F35-F113 HydrophobicContact CE2-CZ 4.37Å; F35-F113 AromaticContact CZ-CD2 3.99Å; F35-F113 HydrophobicContact CZ-CD2 3.99Å; F35-F113 HydrophobicContact CZ-CE1 4.45Å; F35-F113 AromaticContact CZ-CE2 3.54Å; F35-F113 HydrophobicContact CZ-CE2 3.54Å; F35-F113 AromaticContact CZ-CZ 3.8Å; F35-F113 HydrophobicContact CZ-CZ 3.8Å; L39-F113 HydrophobicContact CD1-CD1 3.9Å; L39-F113 HydrophobicContact CD1-CE1 3.82Å; M76-F113 HydrophobicContact CB-CE1 4.32Å; M76-F113 HydrophobicContact CB-CZ 4.35Å; M76-F113 HydrophobicContact CG-CE1 4.19Å; M76-F113 HydrophobicContact CG-CZ 3.85Å; V79-F113 HydrophobicContact CB-CE1 4.33Å; V79-F113 HydrophobicContact CB-CZ 4.5Å; V79-F113 HydrophobicContact CG1-CD1 4.09Å; V79-F113 HydrophobicContact CG1-CE1 4.04Å; V79-F113 HydrophobicContact CG1-CG 4.47Å; V79-F113 HydrophobicContact CG1-CZ 4.35Å; L80-F113 HydrophobicContact CD2-CD1 3.93Å; L80-F113 HydrophobicContact CD2-CE1 4.46Å; L80-F113 HydrophobicContact CG-CD1 4.24Å; L80-F113 HydrophobicContact CG-CE1 4.28Å; F96-F113 HydrophobicContact CE1-CB 4.14Å; F96-F113 HydrophobicContact CZ-CB 4.26Å; L100-F113 HydrophobicContact CD1-CB 4.02Å; L100-F113 HydrophobicContact CD1-CD2 4.1Å; L100-F113 HydrophobicContact CD1-CG 4.35Å; I105-F113 HydrophobicContact CG2-CE2 4.48Å; F109-F113 VanDerWaalsContact O-CD2 3.23Å; F109-F113 WeakPolarHBondContact O-CD2 3.5Å; F109-F113 PolarHBondContact O-N 3.1Å; I110-F113 PolarHBondContact O-N 3.47Å; F113-S115 VanDerWaalsContact C-N 3.26Å; F113-S115 PolarHBondContact O-N 3.45Å; F113-V116 PolarHBondContact O-N 3Å; F113-V116 VanDerWaalsContact O-N 3.1Å; F113-V117 WeakPolarHBondContact O-CG2 3.28Å; F113-V117 PolarHBondContact O-N 3.36Å
114S93.6Very high91.1Very high3 Ų354.3 Ų54.32%0.02129%0.292CS..Hα-helixtrans-60.3-38.8179.2-63.20000111.6I110 T111 D112 V116 V117 F118I110-S114 VanDerWaalsContact O-CB 3.3Å; I110-S114 WeakPolarHBondContact O-CB 3.09Å; I110-S114 PolarHBondContact O-N 2.69Å; I110-S114 PolarHBondContact O-OG 3.33Å; T111-S114 PolarHBondContact O-N 3.27Å; D112-S114 PolarHBondContact O-N 2.94Å; S114-V116 VanDerWaalsContact C-N 3.25Å; S114-V116 PolarHBondContact O-N 3.27Å; S114-V117 PolarHBondContact O-N 3.34Å; S114-F118 WeakPolarHBondContact O-CB 3.47Å; S114-F118 WeakPolarHBondContact O-CD2 3.44Å; S114-F118 PolarHBondContact O-N 3.35Å
115S93.3Very high91.1Very high72 Ų7244 Ų4450%0.50325%0.253SS..Hα-helixtrans-63.6-31.2177.580.70000112.9T111 D112 F113 G119T111-S115 PolarHBondContact O-N 3.32Å; D112-S115 PolarHBondContact O-N 2.78Å; D112-S115 PolarHBondContact O-OG 3.31Å; F113-S115 VanDerWaalsContact C-N 3.26Å; F113-S115 PolarHBondContact O-N 3.45Å; S115-G119 WeakPolarHBondContact O-CA 3.4Å; S115-G119 PolarHBondContact O-N 2.8Å; S115-G119 VanDerWaalsContact O-N 3.11Å
116V92.2Very high90.8Very high13 Ų1346.5 Ų46.58%0.07927%0.265CS..Hα-helixtrans-78.4-47.1177.3173.90000110.9L39 V43 L80 D112 F113 S114 L125L39-V116 HydrophobicContact CD1-CG2 4.46Å; L39-V116 HydrophobicContact CD2-CG2 3.83Å; L39-V116 HydrophobicContact CG-CG2 4.13Å; V43-V116 HydrophobicContact CG2-CB 4.48Å; V43-V116 HydrophobicContact CG2-CG1 3.52Å; V43-V116 HydrophobicContact CG2-CG2 4.08Å; L80-V116 HydrophobicContact CD1-CG1 4.24Å; L80-V116 HydrophobicContact CD2-CB 4.26Å; L80-V116 HydrophobicContact CD2-CG1 3.82Å; D112-V116 PolarHBondContact O-N 3.36Å; F113-V116 PolarHBondContact O-N 3Å; F113-V116 VanDerWaalsContact O-N 3.1Å; S114-V116 VanDerWaalsContact C-N 3.25Å; S114-V116 PolarHBondContact O-N 3.27Å; V116-L125 HydrophobicContact CG1-CD1 4.01Å
117V91Very high90.5Very high0 Ų046.7 Ų46.70%027%0.271CS..Hα-helixtrans-69.2-37.7-175.2174.60000112.1L80 A83 L91 F96 F113 S114 R122L80-V117 HydrophobicContact CD2-CG2 3.72Å; A83-V117 HydrophobicContact CB-CG1 4.07Å; A83-V117 HydrophobicContact CB-CG2 3.9Å; L91-V117 HydrophobicContact CD2-CG1 3.66Å; F96-V117 HydrophobicContact CE1-CG2 4.25Å; F96-V117 HydrophobicContact CE2-CG2 4.42Å; F96-V117 HydrophobicContact CZ-CG2 3.85Å; F113-V117 WeakPolarHBondContact O-CG2 3.28Å; F113-V117 PolarHBondContact O-N 3.36Å; S114-V117 PolarHBondContact O-N 3.34Å; V117-R122 VanDerWaalsContact O-CD 3.27Å; V117-R122 WeakPolarHBondContact O-CD 3.29Å; V117-R122 WeakPolarHBondContact O-CG 3.42Å
118F90.9Very high90.2Very high62 Ų6243.6 Ų43.627%0.27226%0.26SS..SBendtrans-109.51.7-176-59.2-76.8000113.9L91 Q93 F96 S114L91-F118 HydrophobicContact CB-CE1 4.44Å; L91-F118 HydrophobicContact CD2-CE1 4.19Å; L91-F118 HydrophobicContact CD2-CZ 3.75Å; L91-F118 HydrophobicContact CG-CE1 4.22Å; L91-F118 HydrophobicContact CG-CZ 3.84Å; L91-F118 VanDerWaalsContact O-CE1 3.3Å; L91-F118 WeakPolarHBondContact O-CE1 3.38Å; Q93-F118 VanDerWaalsContact CA-CZ 3.46Å; Q93-F118 HydrophobicContact CB-CD1 4.39Å; Q93-F118 HydrophobicContact CB-CD2 4.13Å; Q93-F118 HydrophobicContact CB-CE1 4.2Å; Q93-F118 HydrophobicContact CB-CE2 3.93Å; Q93-F118 HydrophobicContact CB-CG 4.36Å; Q93-F118 HydrophobicContact CB-CZ 3.96Å; Q93-F118 HydrophobicContact CG-CD2 3.77Å; Q93-F118 HydrophobicContact CG-CE2 3.82Å; Q93-F118 HydrophobicContact CG-CG 4.29Å; Q93-F118 HydrophobicContact CG-CZ 4.37Å; F96-F118 HydrophobicContact CB-CE2 4.06Å; F96-F118 HydrophobicContact CB-CZ 4.07Å; F96-F118 AromaticContact CD1-CE2 3.76Å; F96-F118 HydrophobicContact CD1-CE2 3.76Å; F96-F118 HydrophobicContact CE1-CE2 4.46Å; F96-F118 HydrophobicContact CG-CE2 4.02Å; F96-F118 HydrophobicContact CG-CZ 4.36Å; S114-F118 WeakPolarHBondContact O-CB 3.47Å; S114-F118 WeakPolarHBondContact O-CD2 3.44Å; S114-F118 PolarHBondContact O-N 3.35Å
119G89.1Confident89.7Confident25 Ų2541.4 Ų41.426%0.25825%0.252SS..SBendtrans-94.4-171.3-179.100000114.3S115 R121 R122S115-G119 WeakPolarHBondContact O-CA 3.4Å; S115-G119 PolarHBondContact O-N 2.8Å; S115-G119 VanDerWaalsContact O-N 3.11Å; G119-R121 PolarHBondContact O-N 2.93Å; G119-R122 VanDerWaalsContact O-CB 3.28Å; G119-R122 WeakPolarHBondContact O-CB 3.49Å; G119-R122 PolarHBondContact O-N 3.44Å; G119-R122 VanDerWaalsContact O-N 3.11Å
120N87Confident88.9Confident170 Ų17044.6 Ų44.691%0.90928%0.275SS*.THydrogen-bonded Turntrans-61.9-20.7-173.3-59.5-12.4000114.6R122N120-R122 VanDerWaalsContact C-N 3.31Å
121R84.8Confident87.9Confident112 Ų11252.4 Ų52.442%0.42331%0.312SS..THydrogen-bonded Turntrans-79.3-14.1-179.6-67.2-166.6177.7-143.22.6113.5E47 G119 A123 A124 L125E47-R121 IonicContact OE1-NH1 2.73Å; G119-R121 PolarHBondContact O-N 2.93Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.09Å; R121-A124 PolarHBondContact O-N 2.71Å; R121-A124 VanDerWaalsContact O-N 3.15Å; R121-L125 HydrophobicContact CB-CD1 4.43Å; R121-L125 PolarHBondContact O-N 2.94Å; R121-L125 VanDerWaalsContact O-N 3.12Å
122R87Confident86.7Confident14 Ų1455 Ų555%0.05332%0.324CS..Hα-helixtrans-56.2-45.4-175.9178.456.5-175.2-135.86.5112.9A83 I84 I86 V117 G119 N120 A124 L125 E126A83-R122 PolarHBondContact O-NH1 3.05Å; A83-R122 PolarHBondContact O-NH2 3.25Å; I84-R122 VanDerWaalsContact CA-CZ 3.5Å; I84-R122 VanDerWaalsContact CA-NH1 3.31Å; I84-R122 PolarHBondContact O-NH2 3.32Å; I86-R122 PolarHBondContact O-NH2 2.96Å; V117-R122 VanDerWaalsContact O-CD 3.27Å; V117-R122 WeakPolarHBondContact O-CD 3.29Å; V117-R122 WeakPolarHBondContact O-CG 3.42Å; G119-R122 VanDerWaalsContact O-CB 3.28Å; G119-R122 WeakPolarHBondContact O-CB 3.49Å; G119-R122 PolarHBondContact O-N 3.44Å; G119-R122 VanDerWaalsContact O-N 3.11Å; N120-R122 VanDerWaalsContact C-N 3.31Å; R122-A124 VanDerWaalsContact C-N 3.32Å; R122-A124 PolarHBondContact O-N 3.19Å; R122-L125 WeakPolarHBondContact O-CB 3.24Å; R122-L125 PolarHBondContact O-N 2.88Å; R122-L125 VanDerWaalsContact O-N 3.16Å; R122-E126 IonicContact CZ-OE1 2.71Å; R122-E126 VanDerWaalsContact CZ-OE1 3.26Å; R122-E126 IonicContact NE-OE1 2.77Å; R122-E126 PolarHBondContact NE-OE1 3.41Å; R122-E126 IonicContact NH2-OE1 3.89Å; R122-E126 PolarHBondContact NH2-OE1 3.32Å; R122-E126 WeakPolarHBondContact O-CG 3.48Å; R122-E126 PolarHBondContact O-N 3.25Å
123A87.1Confident85.6Confident68 Ų6857.3 Ų57.356%0.56234%0.336SS*.Hα-helixtrans-61.7-38.2179.600000112.9R121 A127R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.09Å; A123-A127 WeakPolarHBondContact O-CB 3.35Å; A123-A127 PolarHBondContact O-N 3.4Å
124A88.4Confident84.6Confident49 Ų4963.1 Ų63.141%0.40537%0.374SS..Hα-helixtrans-67.9-38.5176.900000111.7R121 R122 A127 A128R121-A124 PolarHBondContact O-N 2.71Å; R121-A124 VanDerWaalsContact O-N 3.15Å; R122-A124 VanDerWaalsContact C-N 3.32Å; R122-A124 PolarHBondContact O-N 3.19Å; A124-A127 PolarHBondContact O-N 2.89Å; A124-A128 WeakPolarHBondContact O-CB 3.45Å; A124-A128 PolarHBondContact O-N 3.38Å
125L88Confident83.6Confident3 Ų368.5 Ų68.52%0.01640%0.398CS..Hα-helixtrans-67.7-41.1176.8-71.7164000112.3V43 L46 E47 I84 V116 R121 R122 A128 S129V43-L125 HydrophobicContact CG1-CD1 4.49Å; V43-L125 HydrophobicContact CG1-CD2 4.34Å; L46-L125 HydrophobicContact CB-CD2 3.48Å; L46-L125 VanDerWaalsContact CB-CD2 3.48Å; L46-L125 HydrophobicContact CD1-CD2 4.32Å; E47-L125 HydrophobicContact CG-CD2 4.04Å; I84-L125 HydrophobicContact CD1-CB 3.94Å; I84-L125 HydrophobicContact CD1-CD1 3.82Å; I84-L125 HydrophobicContact CD1-CD2 4.19Å; I84-L125 HydrophobicContact CD1-CG 4.2Å; I84-L125 HydrophobicContact CG1-CB 4.41Å; I84-L125 HydrophobicContact CG2-CB 4.24Å; V116-L125 HydrophobicContact CG1-CD1 4.01Å; R121-L125 HydrophobicContact CB-CD1 4.43Å; R121-L125 PolarHBondContact O-N 2.94Å; R121-L125 VanDerWaalsContact O-N 3.12Å; R122-L125 WeakPolarHBondContact O-CB 3.24Å; R122-L125 PolarHBondContact O-N 2.88Å; R122-L125 VanDerWaalsContact O-N 3.16Å; L125-A128 PolarHBondContact O-N 2.87Å; L125-S129 WeakPolarHBondContact O-CB 3.36Å; L125-S129 PolarHBondContact O-N 3.31Å
126E87.2Confident83.2Confident62 Ų6272.2 Ų72.229%0.2941%0.411SS..Hα-helixtrans-64.8-41174.6-73.5177.916700111.9I84 R122 S129 S130I84-E126 HydrophobicContact CG2-CG 4.14Å; R122-E126 IonicContact CZ-OE1 2.71Å; R122-E126 VanDerWaalsContact CZ-OE1 3.26Å; R122-E126 IonicContact NE-OE1 2.77Å; R122-E126 PolarHBondContact NE-OE1 3.41Å; R122-E126 IonicContact NH2-OE1 3.89Å; R122-E126 PolarHBondContact NH2-OE1 3.32Å; R122-E126 WeakPolarHBondContact O-CG 3.48Å; R122-E126 PolarHBondContact O-N 3.25Å; E126-S129 PolarHBondContact O-N 2.67Å; E126-S130 WeakPolarHBondContact O-CB 3.37Å; E126-S130 PolarHBondContact O-N 2.95Å; E126-S130 PolarHBondContact O-OG 3.46Å
127A85.8Confident83Confident58 Ų5874.6 Ų74.648%0.47943%0.427SS..Hα-helixtrans-62.4-44.9175.400000111.5A123 A124 S130 Q131A123-A127 WeakPolarHBondContact O-CB 3.35Å; A123-A127 PolarHBondContact O-N 3.4Å; A124-A127 PolarHBondContact O-N 2.89Å; A127-S130 PolarHBondContact O-N 2.89Å; A127-Q131 WeakPolarHBondContact O-CG 3.47Å; A127-Q131 PolarHBondContact O-N 3.38Å
128A85.6Confident82.9Confident18 Ų1880.7 Ų80.715%0.14946%0.457CS..Hα-helixtrans-65.7-39.6176.800000112.3L46 A124 L125 Q131 N132L46-A128 WeakPolarHBondContact O-CB 3.38Å; A124-A128 WeakPolarHBondContact O-CB 3.45Å; A124-A128 PolarHBondContact O-N 3.38Å; L125-A128 PolarHBondContact O-N 2.87Å; A128-Q131 PolarHBondContact O-N 2.93Å; A128-N132 PolarHBondContact O-N 3.43Å; A128-N132 PolarHBondContact O-ND2 2.91Å
129S81.7Confident83Confident47 Ų4782.4 Ų82.433%0.32947%0.469SS..Hα-helixtrans-63.9-43.4175.4-168.50000111.3L125 E126 Q131 N132 D133L125-S129 WeakPolarHBondContact O-CB 3.36Å; L125-S129 PolarHBondContact O-N 3.31Å; E126-S129 PolarHBondContact O-N 2.67Å; S129-Q131 PolarHBondContact O-N 3.29Å; S129-N132 PolarHBondContact O-N 3.25Å; S129-N132 VanDerWaalsContact O-N 3.09Å; S129-D133 WeakPolarHBondContact O-CB 3.46Å; S129-D133 PolarHBondContact O-N 3.16Å
130S76.9Confident83.2Confident78 Ų7886.5 Ų86.555%0.54548%0.481SS..Hα-helixtrans-61.8-29.9-179.9-59.10000113.3E126 A127E126-S130 WeakPolarHBondContact O-CB 3.37Å; E126-S130 PolarHBondContact O-N 2.95Å; E126-S130 PolarHBondContact O-OG 3.46Å; A127-S130 PolarHBondContact O-N 2.89Å
131Q74.4Confident83.7Confident164 Ų16482 Ų8277%0.76646%0.455SS*.Hα-helixtrans-75.6-28.2176.7-67.8-65.1-46.900112.9A127 A128 S129A127-Q131 WeakPolarHBondContact O-CG 3.47Å; A127-Q131 PolarHBondContact O-N 3.38Å; A128-Q131 PolarHBondContact O-N 2.93Å; S129-Q131 PolarHBondContact O-N 3.29Å
132N68.3Low84.1Confident122 Ų12281.2 Ų81.265%0.65245%0.454SS*.Hα-helixtrans-107.2-8.6-172.7-68.6-37.2000113.7A128 S129 P134A128-N132 PolarHBondContact O-N 3.43Å; A128-N132 PolarHBondContact O-ND2 2.91Å; S129-N132 PolarHBondContact O-N 3.25Å; S129-N132 VanDerWaalsContact O-N 3.09Å; N132-P134 VanDerWaalsContact O-CD 3.31Å; N132-P134 WeakPolarHBondContact O-CD 3.48Å
133D71.2Confident84.6Confident64 Ų6485.6 Ų85.634%0.34247%0.474SS..  trans-78.1117.5-177.7-158.117.7000110.3R85 S129 H135R85-D133 IonicContact NH2-OD1 2.94Å; S129-D133 WeakPolarHBondContact O-CB 3.46Å; S129-D133 PolarHBondContact O-N 3.16Å; D133-H135 PolarHBondContact O-N 3.12Å; D133-H135 PolarHBondContact O-ND1 2.86Å
134P72.7Confident85Confident122 Ų12290.3 Ų90.379%0.79248%0.477SS*.  trans-67.899.9174.827.6-33.4000109.2N132N132-P134 VanDerWaalsContact O-CD 3.31Å; N132-P134 WeakPolarHBondContact O-CD 3.48Å
135H73.3Confident85.2Confident115 Ų11594.2 Ų94.253%0.53248%0.482SS..  trans-104.2149.9177.556.3-80.6000110.7D133D133-H135 PolarHBondContact O-N 3.12Å; D133-H135 PolarHBondContact O-ND1 2.86Å
136L84.9Confident85.4Confident150 Ų15097.9 Ų97.979%0.78550%0.504SS*.PPolyproline II helixtrans-68.9149.2167.2-67172.6000109.1M138L136-M138 WeakPolarHBondContact O-CG 3.32Å; L136-M138 PolarHBondContact O-N 3.42Å
137P87.8Confident85.4Confident64 Ų6497.1 Ų97.142%0.41650%0.502SS..PPolyproline II helixtrans-51.7126.4173.6-26.534.5000110.9L169 D171P137-L169 HydrophobicContact CB-CB 4.19Å; P137-L169 HydrophobicContact CB-CD1 4.21Å; P137-D171 HydrophobicContact CB-CB 4.2Å; P137-D171 HydrophobicContact CG-CB 4.11Å; P137-D171 WeakPolarHBondContact CG-OD2 3.38Å
138M89.8Confident85.3Confident127 Ų12798 Ų9863%0.62650%0.501SS*.PPolyproline II helixtrans-96.8153.6-179.2-59.3-170.777.200110.1L136 E140 L169 S170L136-M138 WeakPolarHBondContact O-CG 3.32Å; L136-M138 PolarHBondContact O-N 3.42Å; M138-E140 PolarHBondContact O-N 3.29Å; M138-L169 CarbonylContact O-C 3.58Å; M138-L169 WeakPolarHBondContact O-CA 3.38Å; M138-S170 PolarHBondContact N-OG 3.19Å; M138-S170 PolarHBondContact O-N 2.9Å
139L92.7Very high84.7Confident99 Ų99100.6 Ų100.652%0.51852%0.518SS..EExtended strand (participates in β ladder)trans-76112.5175-177.765.4000110E141 F142 L167 L169L139-E141 WeakPolarHBondContact CD1-O 3.26Å; L139-F142 HydrophobicContact CD2-CB 4.23Å; L139-L167 HydrophobicContact CD1-CB 3.92Å; L139-L167 HydrophobicContact CD1-CD2 4.02Å; L139-L167 HydrophobicContact CD1-CG 4.03Å; L139-L169 HydrophobicContact CD1-CD2 4.09Å
140E93.6Very high84.3Confident110 Ų110104.5 Ų104.551%0.51453%0.534SS..EExtended strand (participates in β ladder)trans-89.5-42.2176.9-68.6-168.8160.700112.3M138 K168 S170M138-E140 PolarHBondContact O-N 3.29Å; E140-K168 PolarHBondContact N-O 2.95Å; E140-K168 VanDerWaalsContact OE2-CE 3.27Å; E140-K168 WeakPolarHBondContact OE2-CE 3.45Å; E140-K168 IonicContact OE2-NZ 3.47Å; E140-K168 PolarHBondContact OE2-NZ 3.21Å; E140-S170 WeakPolarHBondContact OE1-CA 3.27Å
141E95.7Very high83.7Confident75 Ų75103.2 Ų103.235%0.3553%0.525SS..EExtended strand (participates in β ladder)trans-141135.5-175.8-161.3-178179.200110.6L139 K143 L167 K168L139-E141 WeakPolarHBondContact CD1-O 3.26Å; E141-K143 WeakPolarHBondContact OE1-CD 3.42Å; E141-K143 WeakPolarHBondContact OE1-CE 3.43Å; E141-K143 IonicContact OE1-NZ 2.63Å; E141-K143 PolarHBondContact OE1-NZ 3.44Å; E141-K143 IonicContact OE2-NZ 3.24Å; E141-L167 WeakPolarHBondContact O-CA 3.33Å; E141-K168 HydrophobicContact CB-CB 3.75Å; E141-K168 HydrophobicContact CB-CD 4.42Å; E141-K168 PolarHBondContact N-O 2.99Å; E141-K168 PolarHBondContact O-N 3.32Å
142F95.1Very high83.2Confident96 Ų96101.9 Ų101.942%0.42153%0.528SS..EExtended strand (participates in β ladder)trans-127.5116.6175-177.7-102.1000110.2L139 W144 M165 L167L139-F142 HydrophobicContact CD2-CB 4.23Å; F142-W144 HydrophobicContact CE1-CB 4.2Å; F142-W144 AromaticContact CE1-CD1 3.63Å; F142-W144 HydrophobicContact CE1-CG 4.2Å; F142-W144 HydrophobicContact CZ-CB 4.37Å; F142-M165 HydrophobicContact CE2-CB 4.32Å; F142-M165 HydrophobicContact CE2-CG 4.37Å; F142-M165 HydrophobicContact CE2-SD 4.03Å; F142-M165 HydrophobicContact CZ-CE 4.39Å; F142-M165 HydrophobicContact CZ-CG 4.19Å; F142-M165 HydrophobicContact CZ-SD 3.87Å; F142-L167 HydrophobicContact CD2-CD1 4.48Å; F142-L167 HydrophobicContact CD2-CG 4.13Å; F142-L167 HydrophobicContact CE2-CD1 4.43Å
143K96.1Very high83Confident106 Ų10699.4 Ų99.446%0.46152%0.521SS..EExtended strand (participates in β ladder)trans-119.2139.9176.6-79.5169.81641510109.5E141 Q166E141-K143 WeakPolarHBondContact OE1-CD 3.42Å; E141-K143 WeakPolarHBondContact OE1-CE 3.43Å; E141-K143 IonicContact OE1-NZ 2.63Å; E141-K143 PolarHBondContact OE1-NZ 3.44Å; E141-K143 IonicContact OE2-NZ 3.24Å; K143-Q166 HydrophobicContact CB-CB 4.26Å; K143-Q166 PolarHBondContact N-O 2.78Å; K143-Q166 PolarHBondContact O-N 3.33Å
144W95.2Very high82.3Confident167 Ų167102.6 Ų102.663%0.63355%0.548SS*.EExtended strand (participates in β ladder)trans-140.7154.3175.965.6-86.5000111.2F142 V146 V163 L164F142-W144 HydrophobicContact CE1-CB 4.2Å; F142-W144 AromaticContact CE1-CD1 3.63Å; F142-W144 HydrophobicContact CE1-CG 4.2Å; F142-W144 HydrophobicContact CZ-CB 4.37Å; W144-V146 HydrophobicContact CE3-CG2 4.2Å; W144-V146 HydrophobicContact CZ3-CG2 3.78Å; W144-V163 HydrophobicContact CB-CG1 4.28Å; W144-V163 HydrophobicContact CE3-CG1 4.48Å; W144-L164 VanDerWaalsContact CA-O 3.28Å; W144-L164 WeakPolarHBondContact CA-O 3.28Å
145R93.9Very high81.5Confident132 Ų132105 Ų10550%0.49855%0.553SS.*EExtended strand (participates in β ladder)trans-144.8155.1167.267.3175.6-163.3174.16.6109.8D147 V163 L164R145-D147 WeakPolarHBondContact CD-OD1 3.44Å; R145-D147 IonicContact CZ-OD1 2.95Å; R145-D147 VanDerWaalsContact CZ-OD1 3.3Å; R145-D147 IonicContact CZ-OD2 2.99Å; R145-D147 VanDerWaalsContact CZ-OD2 3.24Å; R145-D147 IonicContact NE-OD1 2.61Å; R145-D147 PolarHBondContact NE-OD1 3.37Å; R145-D147 IonicContact NE-OD2 3.3Å; R145-D147 PolarHBondContact NE-OD2 2.93Å; R145-D147 IonicContact NH2-OD1 3.23Å; R145-D147 PolarHBondContact NH2-OD1 2.92Å; R145-D147 IonicContact NH2-OD2 3.96Å; R145-D147 PolarHBondContact NH2-OD2 3.37Å; R145-V163 CarbonylContact O-C 3.6Å; R145-V163 WeakPolarHBondContact O-CA 3.41Å; R145-L164 HydrophobicContact CG-CB 3.91Å; R145-L164 HydrophobicContact CG-CD2 4.39Å; R145-L164 PolarHBondContact N-O 3.48Å; R145-L164 PolarHBondContact O-N 2.93Å
146V92Very high80.6Confident80 Ų80102.4 Ų102.449%0.48555%0.552SS.*EExtended strand (participates in β ladder)trans-99.6120.9173.71740000108W144 V148 S162 V163W144-V146 HydrophobicContact CE3-CG2 4.2Å; W144-V146 HydrophobicContact CZ3-CG2 3.78Å; V146-V148 HydrophobicContact CG1-CG2 4.46Å; V146-S162 WeakPolarHBondContact CA-O 3.27Å; V146-V163 HydrophobicContact CG2-CG2 4.32Å
147D86.9Confident79.1Confident45 Ų45106.6 Ų106.624%0.24156%0.557CS.*EExtended strand (participates in β ladder)trans-102.6141.3174.3-68.8-21.9000108.4R145 P161 S162R145-D147 WeakPolarHBondContact CD-OD1 3.44Å; R145-D147 IonicContact CZ-OD1 2.95Å; R145-D147 VanDerWaalsContact CZ-OD1 3.3Å; R145-D147 IonicContact CZ-OD2 2.99Å; R145-D147 VanDerWaalsContact CZ-OD2 3.24Å; R145-D147 IonicContact NE-OD1 2.61Å; R145-D147 PolarHBondContact NE-OD1 3.37Å; R145-D147 IonicContact NE-OD2 3.3Å; R145-D147 PolarHBondContact NE-OD2 2.93Å; R145-D147 IonicContact NH2-OD1 3.23Å; R145-D147 PolarHBondContact NH2-OD1 2.92Å; R145-D147 IonicContact NH2-OD2 3.96Å; R145-D147 PolarHBondContact NH2-OD2 3.37Å; D147-P161 CarbonylContact O-C 3.47Å; D147-P161 WeakPolarHBondContact O-CA 3.28Å; D147-S162 PolarHBondContact N-O 3.17Å; D147-S162 PolarHBondContact O-N 2.81Å
148V83.1Confident77.8Confident77 Ų77106 Ų10647%0.46756%0.558SS.*EExtended strand (participates in β ladder)trans-121.9109175.9-177.70000107.7V146 L159 P161V146-V148 HydrophobicContact CG1-CG2 4.46Å; V148-L159 HydrophobicContact CG1-CB 4.09Å; V148-L159 HydrophobicContact CG1-CD2 3.69Å; V148-L159 HydrophobicContact CG1-CG 4.45Å; V148-P161 HydrophobicContact CG2-CB 4.48Å
149S74.4Confident76.7Confident73 Ų73105.7 Ų105.751%0.5156%0.558SS.*EExtended strand (participates in β ladder)trans-77.2124.6174.6-57.40000109.7Q160S149-Q160 PolarHBondContact N-O 2.69Å
150I72.7Confident75.8Confident129 Ų129107.1 Ų107.166%0.66256%0.562SS**EExtended strand (participates in β ladder)trans-101.6107.7177.1-58.2169.2000108.2L159I150-L159 HydrophobicContact CG1-CD2 3.87Å
151S64.4Low75.3Confident51 Ų51104.6 Ų104.636%0.35756%0.555SS.*  trans-85.4123.8170.2-1750000110.4S153S151-S153 PolarHBondContact OG-OG 3.15Å
152T63.5Low75Confident136 Ų136101.3 Ų101.383%0.83454%0.54SS*.  trans-94.1-1.2177.952.90000113.5
153S63.4Low74.9Confident70 Ų7097.3 Ų97.349%0.4952%0.524SS..SBendtrans-77.9140.2178.866.80000111.8S151 L155S151-S153 PolarHBondContact OG-OG 3.15Å; S153-L155 PolarHBondContact O-N 2.86Å
154S56.2Low74.8Confident131 Ų13193.6 Ų93.692%0.91651%0.509SS*.THydrogen-bonded Turntrans-62.8-9.8-167.4-34.60000115.7
155L57.1Low74.9Confident173 Ų17385.9 Ų85.991%0.90648%0.48SS*.THydrogen-bonded Turntrans-90.3-19.1-170.5-130.692.8000114.5S153S153-L155 PolarHBondContact O-N 2.86Å
156A53.6Low75Confident60 Ų6082.2 Ų82.250%0.49647%0.468SS..  trans-168.7110.7167.100000109.3A158A156-A158 PolarHBondContact O-N 2.88Å
157R53.5Low75.2Confident238 Ų23880 Ų8090%0.89845%0.453SS*.  trans-70.972162.1-72.6-174.8-158.9155.15.5108.7
158A60Low75.6Confident52 Ų5280.9 Ų80.943%0.4346%0.455SS..  trans-89.8108.1173.100000108A156 Q160A156-A158 PolarHBondContact O-N 2.88Å; A158-Q160 PolarHBondContact O-N 2.73Å; A158-Q160 VanDerWaalsContact O-N 3.17Å
159L66.6Low76.1Confident120 Ų12078.3 Ų78.363%0.62844%0.439SS*.EExtended strand (participates in β ladder)trans-71.199.8158.3-68.2169.3000105.7V148 I150 P161V148-L159 HydrophobicContact CG1-CB 4.09Å; V148-L159 HydrophobicContact CG1-CD2 3.69Å; V148-L159 HydrophobicContact CG1-CG 4.45Å; I150-L159 HydrophobicContact CG1-CD2 3.87Å; L159-P161 WeakPolarHBondContact O-CD 3.47Å
160Q74.9Confident76.9Confident129 Ų12976.9 Ų76.960%0.60343%0.429SS*.EExtended strand (participates in β ladder)trans-97.8102.5175.8-171.6171.7-27.200108.3S149 A158S149-Q160 PolarHBondContact N-O 2.69Å; A158-Q160 PolarHBondContact O-N 2.73Å; A158-Q160 VanDerWaalsContact O-N 3.17Å
161P83.9Confident77.7Confident57 Ų5775.3 Ų75.337%0.3742%0.421SS..EExtended strand (participates in β ladder)trans-72.3142.7172.828.8-33.7000110.4D147 V148 L159 V181D147-P161 CarbonylContact O-C 3.47Å; D147-P161 WeakPolarHBondContact O-CA 3.28Å; V148-P161 HydrophobicContact CG2-CB 4.48Å; L159-P161 WeakPolarHBondContact O-CD 3.47Å; P161-V181 HydrophobicContact CB-CG2 4.3Å; P161-V181 HydrophobicContact CG-CG2 3.83Å; P161-V181 WeakPolarHBondContact O-CG2 3.28Å
162S88.4Confident78.9Confident5 Ų575 Ų754%0.03543%0.426CS..EExtended strand (participates in β ladder)trans-138.9157.1168.566.90000110.6V146 D147 E178V146-S162 WeakPolarHBondContact CA-O 3.27Å; D147-S162 PolarHBondContact N-O 3.17Å; D147-S162 PolarHBondContact O-N 2.81Å; S162-E178 WeakPolarHBondContact CB-OE1 3.42Å; S162-E178 PolarHBondContact OG-OE1 2.92Å
163V93.1Very high80.3Confident13 Ų1370.4 Ų70.48%0.07940%0.4CS..EExtended strand (participates in β ladder)trans-107.7116.4179.5-173.10000108.3W144 R145 V146 M165 V179 F184W144-V163 HydrophobicContact CB-CG1 4.28Å; W144-V163 HydrophobicContact CE3-CG1 4.48Å; R145-V163 CarbonylContact O-C 3.6Å; R145-V163 WeakPolarHBondContact O-CA 3.41Å; V146-V163 HydrophobicContact CG2-CG2 4.32Å; V163-M165 HydrophobicContact CB-CE 4.39Å; V163-M165 HydrophobicContact CG1-CE 3.85Å; V163-M165 HydrophobicContact CG1-CG 4Å; V163-V179 HydrophobicContact CB-CB 4.38Å; V163-V179 PolarHBondContact N-O 3.29Å; V163-V179 PolarHBondContact O-N 2.95Å; V163-F184 HydrophobicContact CG2-CD2 4.32Å; V163-F184 HydrophobicContact CG2-CG 4.42Å
164L94.7Very high81.8Confident28 Ų2873 Ų7315%0.14740%0.403CS..EExtended strand (participates in β ladder)trans-85.3119.2170.1-173.869.5000108.5W144 R145 R176W144-L164 VanDerWaalsContact CA-O 3.28Å; W144-L164 WeakPolarHBondContact CA-O 3.28Å; R145-L164 HydrophobicContact CG-CB 3.91Å; R145-L164 HydrophobicContact CG-CD2 4.39Å; R145-L164 PolarHBondContact N-O 3.48Å; R145-L164 PolarHBondContact O-N 2.93Å; L164-R176 HydrophobicContact CD1-CG 4.04Å; L164-R176 HydrophobicContact CG-CG 4.37Å
165M95.6Very high83.6Confident4 Ų471.3 Ų71.32%0.0238%0.38CS..EExtended strand (participates in β ladder)trans-108.3145178.3-63.5-170.7179.600110.8F142 V163 L167 R176 F177 V179 F184 L187F142-M165 HydrophobicContact CE2-CB 4.32Å; F142-M165 HydrophobicContact CE2-CG 4.37Å; F142-M165 HydrophobicContact CE2-SD 4.03Å; F142-M165 HydrophobicContact CZ-CE 4.39Å; F142-M165 HydrophobicContact CZ-CG 4.19Å; F142-M165 HydrophobicContact CZ-SD 3.87Å; V163-M165 HydrophobicContact CB-CE 4.39Å; V163-M165 HydrophobicContact CG1-CE 3.85Å; V163-M165 HydrophobicContact CG1-CG 4Å; M165-L167 HydrophobicContact CB-CD1 4.41Å; M165-R176 VanDerWaalsContact O-CA 3.31Å; M165-R176 WeakPolarHBondContact O-CA 3.17Å; M165-F177 HydrophobicContact CB-CD2 4.49Å; M165-F177 HydrophobicContact CB-CE2 4.13Å; M165-F177 HydrophobicContact CB-CZ 4.29Å; M165-F177 PolarHBondContact N-O 3.28Å; M165-F177 PolarHBondContact O-N 2.87Å; M165-F177 HydrophobicContact SD-CE2 4.15Å; M165-F177 HydrophobicContact SD-CZ 4.49Å; M165-V179 HydrophobicContact CE-CB 4.25Å; M165-V179 HydrophobicContact CE-CG1 4.43Å; M165-V179 HydrophobicContact CE-CG2 4.02Å; M165-V179 HydrophobicContact CG-CG2 3.96Å; M165-V179 HydrophobicContact SD-CG2 3.68Å; M165-F184 HydrophobicContact CE-CD2 3.46Å; M165-F184 VanDerWaalsContact CE-CD2 3.46Å; M165-F184 HydrophobicContact CE-CE2 3.79Å; M165-L187 HydrophobicContact CE-CD2 4.23Å; M165-L187 HydrophobicContact SD-CD2 4.35Å
166Q96.2Very high85.5Confident56 Ų5670.7 Ų70.726%0.26237%0.366SS..EExtended strand (participates in β ladder)trans-135.5126.8174.9-179.4177.1-15.700109.9K143 Q175 R176K143-Q166 HydrophobicContact CB-CB 4.26Å; K143-Q166 PolarHBondContact N-O 2.78Å; K143-Q166 PolarHBondContact O-N 3.33Å; Q166-Q175 CarbonylContact C-O 3.55Å; Q166-Q175 VanDerWaalsContact CA-O 3.31Å; Q166-Q175 WeakPolarHBondContact CA-O 3.39Å; Q166-R176 HydrophobicContact CB-CG 4.48Å
167L95.9Very high87.4Confident32 Ų3271.8 Ų71.817%0.16836%0.36CS..EExtended strand (participates in β ladder)trans-116.7136.4179-61.775.6000108.7L139 E141 F142 M165 F174 Q175 F177L139-L167 HydrophobicContact CD1-CB 3.92Å; L139-L167 HydrophobicContact CD1-CD2 4.02Å; L139-L167 HydrophobicContact CD1-CG 4.03Å; E141-L167 WeakPolarHBondContact O-CA 3.33Å; F142-L167 HydrophobicContact CD2-CD1 4.48Å; F142-L167 HydrophobicContact CD2-CG 4.13Å; F142-L167 HydrophobicContact CE2-CD1 4.43Å; M165-L167 HydrophobicContact CB-CD1 4.41Å; L167-F174 WeakPolarHBondContact O-CA 3.21Å; L167-Q175 HydrophobicContact CB-CB 4.46Å; L167-Q175 PolarHBondContact N-O 3.45Å; L167-Q175 PolarHBondContact O-N 2.88Å; L167-F177 HydrophobicContact CD1-CD1 4.31Å; L167-F177 HydrophobicContact CD1-CE1 3.37Å; L167-F177 HydrophobicContact CD1-CZ 3.74Å
168K96.4Very high89.3Confident64 Ų6466.2 Ų66.228%0.27834%0.344SS..EExtended strand (participates in β ladder)trans-111.1124.9162.6-175.3-175.6-179.2-133.80107.8E140 E141 F174E140-K168 PolarHBondContact N-O 2.95Å; E140-K168 VanDerWaalsContact OE2-CE 3.27Å; E140-K168 WeakPolarHBondContact OE2-CE 3.45Å; E140-K168 IonicContact OE2-NZ 3.47Å; E140-K168 PolarHBondContact OE2-NZ 3.21Å; E141-K168 HydrophobicContact CB-CB 3.75Å; E141-K168 HydrophobicContact CB-CD 4.42Å; E141-K168 PolarHBondContact N-O 2.99Å; E141-K168 PolarHBondContact O-N 3.32Å; K168-F174 HydrophobicContact CB-CD1 3.97Å; K168-F174 HydrophobicContact CB-CE1 3.69Å; K168-F174 HydrophobicContact CB-CZ 4.4Å; K168-F174 HydrophobicContact CD-CE1 3.64Å; K168-F174 HydrophobicContact CD-CZ 3.67Å; K168-F174 HydrophobicContact CG-CD1 4.02Å; K168-F174 HydrophobicContact CG-CE1 3.43Å; K168-F174 VanDerWaalsContact CG-CE1 3.43Å; K168-F174 HydrophobicContact CG-CE2 4.35Å; K168-F174 HydrophobicContact CG-CZ 3.63Å
169L94.3Very high90.9Very high24 Ų2464.2 Ų64.213%0.12633%0.326CS..EExtended strand (participates in β ladder)trans-101.4161.3177.2-55.7-174.2000111P137 M138 L139 D171 G172 S173P137-L169 HydrophobicContact CB-CB 4.19Å; P137-L169 HydrophobicContact CB-CD1 4.21Å; M138-L169 CarbonylContact O-C 3.58Å; M138-L169 WeakPolarHBondContact O-CA 3.38Å; L139-L169 HydrophobicContact CD1-CD2 4.09Å; L169-D171 VanDerWaalsContact CB-OD1 3.28Å; L169-D171 WeakPolarHBondContact CB-OD1 3.3Å; L169-D171 PolarHBondContact O-N 3.07Å; L169-G172 PolarHBondContact O-N 3.26Å; L169-S173 WeakPolarHBondContact CD1-OG 3.45Å; L169-S173 PolarHBondContact N-O 2.91Å
170S89.7Confident92.1Very high43 Ų4361.3 Ų61.330%0.30132%0.315SS..THydrogen-bonded Turntrans-67.8-17.6-178.3640000114.3M138 E140 G172M138-S170 PolarHBondContact N-OG 3.19Å; M138-S170 PolarHBondContact O-N 2.9Å; E140-S170 WeakPolarHBondContact OE1-CA 3.27Å; S170-G172 PolarHBondContact O-N 2.95Å
171D89.1Confident92.8Very high95 Ų9558.3 Ų58.351%0.50831%0.305SS..THydrogen-bonded Turntrans-79.13.3171.166.8-2.8000112.9P137 L169 S173P137-D171 HydrophobicContact CB-CB 4.2Å; P137-D171 HydrophobicContact CG-CB 4.11Å; P137-D171 WeakPolarHBondContact CG-OD2 3.38Å; L169-D171 VanDerWaalsContact CB-OD1 3.28Å; L169-D171 WeakPolarHBondContact CB-OD1 3.3Å; L169-D171 PolarHBondContact O-N 3.07Å; D171-S173 VanDerWaalsContact C-N 3.25Å; D171-S173 PolarHBondContact O-N 2.97Å; D171-S173 WeakPolarHBondContact OD1-CB 3.19Å; D171-S173 PolarHBondContact OD1-N 3.11Å; D171-S173 PolarHBondContact OD1-OG 3.47Å; D171-S173 PolarHBondContact OD2-OG 2.63Å
172G89.8Confident93.1Very high45 Ų4559.8 Ų59.846%0.46432%0.316SS..SBendtrans80.51-177.200000114L169 S170 F174L169-G172 PolarHBondContact O-N 3.26Å; S170-G172 PolarHBondContact O-N 2.95Å; G172-F174 WeakPolarHBondContact O-CD2 3.49Å; G172-F174 WeakPolarHBondContact O-CE2 3.19Å
173S93.2Very high93.4Very high39 Ų3964.8 Ų64.827%0.27334%0.338SS..  trans-72.5142.9176.870.90000111.6L169 D171L169-S173 WeakPolarHBondContact CD1-OG 3.45Å; L169-S173 PolarHBondContact N-O 2.91Å; D171-S173 VanDerWaalsContact C-N 3.25Å; D171-S173 PolarHBondContact O-N 2.97Å; D171-S173 WeakPolarHBondContact OD1-CB 3.19Å; D171-S173 PolarHBondContact OD1-N 3.11Å; D171-S173 PolarHBondContact OD1-OG 3.47Å; D171-S173 PolarHBondContact OD2-OG 2.63Å
174F95.4Very high93.4Very high126 Ų12667.6 Ų67.655%0.55335%0.349SS*.EExtended strand (participates in β ladder)trans-119.2123.5177-71.6-90.8000109.2L167 K168 G172L167-F174 WeakPolarHBondContact O-CA 3.21Å; K168-F174 HydrophobicContact CB-CD1 3.97Å; K168-F174 HydrophobicContact CB-CE1 3.69Å; K168-F174 HydrophobicContact CB-CZ 4.4Å; K168-F174 HydrophobicContact CD-CE1 3.64Å; K168-F174 HydrophobicContact CD-CZ 3.67Å; K168-F174 HydrophobicContact CG-CD1 4.02Å; K168-F174 HydrophobicContact CG-CE1 3.43Å; K168-F174 VanDerWaalsContact CG-CE1 3.43Å; K168-F174 HydrophobicContact CG-CE2 4.35Å; K168-F174 HydrophobicContact CG-CZ 3.63Å; G172-F174 WeakPolarHBondContact O-CD2 3.49Å; G172-F174 WeakPolarHBondContact O-CE2 3.19Å
175Q94.7Very high93.3Very high95 Ų9570.2 Ų70.244%0.44436%0.36SS..EExtended strand (participates in β ladder)trans-116.1128.3176.6-61.6-171.135.500109.4Q166 L167 F177Q166-Q175 CarbonylContact C-O 3.55Å; Q166-Q175 VanDerWaalsContact CA-O 3.31Å; Q166-Q175 WeakPolarHBondContact CA-O 3.39Å; L167-Q175 HydrophobicContact CB-CB 4.46Å; L167-Q175 PolarHBondContact N-O 3.45Å; L167-Q175 PolarHBondContact O-N 2.88Å; Q175-F177 HydrophobicContact CB-CD1 4.47Å
176R95.4Very high93.4Very high160 Ų16074.4 Ų74.460%0.60438%0.38SS*.EExtended strand (participates in β ladder)trans-129.2124.4175.9-169-177.2-144.5169.56.2109.2L164 M165 Q166L164-R176 HydrophobicContact CD1-CG 4.04Å; L164-R176 HydrophobicContact CG-CG 4.37Å; M165-R176 VanDerWaalsContact O-CA 3.31Å; M165-R176 WeakPolarHBondContact O-CA 3.17Å; Q166-R176 HydrophobicContact CB-CG 4.48Å
177F94.8Very high93.3Very high83 Ų8375.4 Ų75.436%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-150.8153.6-178.555.8-93.7000111.5M165 L167 Q175 V179M165-F177 HydrophobicContact CB-CD2 4.49Å; M165-F177 HydrophobicContact CB-CE2 4.13Å; M165-F177 HydrophobicContact CB-CZ 4.29Å; M165-F177 PolarHBondContact N-O 3.28Å; M165-F177 PolarHBondContact O-N 2.87Å; M165-F177 HydrophobicContact SD-CE2 4.15Å; M165-F177 HydrophobicContact SD-CZ 4.49Å; L167-F177 HydrophobicContact CD1-CD1 4.31Å; L167-F177 HydrophobicContact CD1-CE1 3.37Å; L167-F177 HydrophobicContact CD1-CZ 3.74Å; Q175-F177 HydrophobicContact CB-CD1 4.47Å; F177-V179 HydrophobicContact CD2-CG2 3.46Å; F177-V179 VanDerWaalsContact CD2-CG2 3.46Å; F177-V179 HydrophobicContact CE2-CG2 3.37Å
178E93.4Very high93.3Very high120 Ų12081.2 Ų81.256%0.56141%0.406SS*.EExtended strand (participates in β ladder)trans-91.1134.7176.1-173.6178.3178.300110S162S162-E178 WeakPolarHBondContact CB-OE1 3.42Å; S162-E178 PolarHBondContact OG-OE1 2.92Å
179V92.9Very high93.3Very high11 Ų1185.3 Ų85.37%0.06742%0.421CS..EExtended strand (participates in β ladder)trans-118.5112.6-178.4-173.60000108.9V163 M165 F177 K183 F184V163-V179 HydrophobicContact CB-CB 4.38Å; V163-V179 PolarHBondContact N-O 3.29Å; V163-V179 PolarHBondContact O-N 2.95Å; M165-V179 HydrophobicContact CE-CB 4.25Å; M165-V179 HydrophobicContact CE-CG1 4.43Å; M165-V179 HydrophobicContact CE-CG2 4.02Å; M165-V179 HydrophobicContact CG-CG2 3.96Å; M165-V179 HydrophobicContact SD-CG2 3.68Å; F177-V179 HydrophobicContact CD2-CG2 3.46Å; F177-V179 VanDerWaalsContact CD2-CG2 3.46Å; F177-V179 HydrophobicContact CE2-CG2 3.37Å; V179-K183 HydrophobicContact CG1-CB 3.89Å; V179-F184 HydrophobicContact CG1-CB 3.97Å
180P91.5Very high93.5Very high59 Ų5987.2 Ų87.238%0.38343%0.431SS..EExtended strand (participates in β ladder)trans-60151.3170-23.433.8000111.5S182 K183 F184P180-S182 PolarHBondContact O-N 3.4Å; P180-S182 VanDerWaalsContact O-N 3.14Å; P180-K183 PolarHBondContact O-N 2.92Å; P180-F184 PolarHBondContact O-N 3Å
181V89.7Confident93.8Very high65 Ų6588.5 Ų88.539%0.39444%0.437SS..Hα-helixtrans-53.9-39-178178.30000112.8P161 K183 F184 Q185P161-V181 HydrophobicContact CB-CG2 4.3Å; P161-V181 HydrophobicContact CG-CG2 3.83Å; P161-V181 WeakPolarHBondContact O-CG2 3.28Å; V181-K183 PolarHBondContact O-N 3.02Å; V181-F184 WeakPolarHBondContact O-CB 3.44Å; V181-F184 PolarHBondContact O-N 3.4Å; V181-Q185 WeakPolarHBondContact O-CG 3.41Å; V181-Q185 PolarHBondContact O-N 3.39Å
182S91.1Very high94.1Very high88 Ų8886.5 Ų86.562%0.61543%0.434SS*.Hα-helixtrans-59.9-46.5177.452.30000112.3P180 Q185 E186P180-S182 PolarHBondContact O-N 3.4Å; P180-S182 VanDerWaalsContact O-N 3.14Å; S182-Q185 PolarHBondContact O-N 3.31Å; S182-E186 PolarHBondContact O-N 3.38Å; S182-E186 VanDerWaalsContact O-N 3.13Å
183K94.2Very high94.5Very high111 Ų11187.3 Ų87.348%0.48343%0.428SS..Hα-helixtrans-69.7-32.1177.1-71.9-58.6-173.6-178.10112.9V179 P180 V181 E186 L187V179-K183 HydrophobicContact CG1-CB 3.89Å; P180-K183 PolarHBondContact O-N 2.92Å; V181-K183 PolarHBondContact O-N 3.02Å; K183-E186 VanDerWaalsContact CD-OE2 3.24Å; K183-E186 WeakPolarHBondContact CD-OE2 3.43Å; K183-E186 IonicContact NZ-OE1 3.26Å; K183-E186 IonicContact NZ-OE2 3.53Å; K183-E186 PolarHBondContact NZ-OE2 3.47Å; K183-E186 PolarHBondContact O-N 3.49Å; K183-L187 WeakPolarHBondContact O-CB 3.47Å; K183-L187 PolarHBondContact O-N 3.34Å
184F92.9Very high94.6Very high72 Ų7289.9 Ų89.932%0.31644%0.437SS..Hα-helixtrans-62.3-43.2172178.3-99.2000111.9V163 M165 V179 P180 V181 L187 R188V163-F184 HydrophobicContact CG2-CD2 4.32Å; V163-F184 HydrophobicContact CG2-CG 4.42Å; M165-F184 HydrophobicContact CE-CD2 3.46Å; M165-F184 VanDerWaalsContact CE-CD2 3.46Å; M165-F184 HydrophobicContact CE-CE2 3.79Å; V179-F184 HydrophobicContact CG1-CB 3.97Å; P180-F184 PolarHBondContact O-N 3Å; V181-F184 WeakPolarHBondContact O-CB 3.44Å; V181-F184 PolarHBondContact O-N 3.4Å; F184-L187 PolarHBondContact O-N 3.13Å; F184-R188 WeakPolarHBondContact O-CB 3.42Å; F184-R188 PolarHBondContact O-N 2.98Å
185Q93.9Very high94.5Very high83 Ų8388.8 Ų88.839%0.38844%0.437SS..Hα-helixtrans-66.6-38.5177.5-65.8-59.8-25.300112.2V181 S182 R188 Y189V181-Q185 WeakPolarHBondContact O-CG 3.41Å; V181-Q185 PolarHBondContact O-N 3.39Å; S182-Q185 PolarHBondContact O-N 3.31Å; Q185-R188 PolarHBondContact O-N 3.03Å; Q185-R188 VanDerWaalsContact OE1-NH2 3.13Å; Q185-Y189 PolarHBondContact O-N 2.9Å
186E96.4Very high94.4Very high91 Ų9190.2 Ų90.243%0.42544%0.441SS..Hα-helixtrans-60.7-48.4173.1-172.1-177.2159.500111.2S182 K183 R188 Y189 N190S182-E186 PolarHBondContact O-N 3.38Å; S182-E186 VanDerWaalsContact O-N 3.13Å; K183-E186 VanDerWaalsContact CD-OE2 3.24Å; K183-E186 WeakPolarHBondContact CD-OE2 3.43Å; K183-E186 IonicContact NZ-OE1 3.26Å; K183-E186 IonicContact NZ-OE2 3.53Å; K183-E186 PolarHBondContact NZ-OE2 3.47Å; K183-E186 PolarHBondContact O-N 3.49Å; E186-R188 PolarHBondContact O-N 3.4Å; E186-Y189 PolarHBondContact O-N 2.78Å; E186-N190 PolarHBondContact O-N 3.15Å; E186-N190 PolarHBondContact O-ND2 3.11Å
187L94.7Very high94.3Very high78 Ų7887.9 Ų87.941%0.40844%0.437SS..Hα-helixtrans-57.9-47175.5179.263.2000111.4M165 K183 F184 Y189 N190 V191M165-L187 HydrophobicContact CE-CD2 4.23Å; M165-L187 HydrophobicContact SD-CD2 4.35Å; K183-L187 WeakPolarHBondContact O-CB 3.47Å; K183-L187 PolarHBondContact O-N 3.34Å; F184-L187 PolarHBondContact O-N 3.13Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-Y189 PolarHBondContact O-N 3.03Å; L187-N190 PolarHBondContact O-N 3.06Å; L187-V191 HydrophobicContact CD1-CG2 4.02Å; L187-V191 HydrophobicContact CG-CG2 4.36Å; L187-V191 WeakPolarHBondContact O-CB 3.28Å; L187-V191 VanDerWaalsContact O-CG2 3.28Å; L187-V191 WeakPolarHBondContact O-CG2 3.46Å; L187-V191 PolarHBondContact O-N 3.06Å
188R95.1Very high93.9Very high154 Ų15489.6 Ų89.658%0.58145%0.448SS*.Hα-helixtrans-57.8-44.9177.8-175.5-17972.293.1-0.5111.9F184 Q185 E186 A192F184-R188 WeakPolarHBondContact O-CB 3.42Å; F184-R188 PolarHBondContact O-N 2.98Å; Q185-R188 PolarHBondContact O-N 3.03Å; Q185-R188 VanDerWaalsContact OE1-NH2 3.13Å; E186-R188 PolarHBondContact O-N 3.4Å; R188-A192 WeakPolarHBondContact O-CB 3.31Å; R188-A192 PolarHBondContact O-N 2.96Å
189Y97.5Very high93.5Very high149 Ų14986.7 Ų86.758%0.58444%0.436SS*.Hα-helixtrans-63.8-48.2177.6174.7-96000111.6Q185 E186 L187 V191 A192 L193Q185-Y189 PolarHBondContact O-N 2.9Å; E186-Y189 PolarHBondContact O-N 2.78Å; L187-Y189 VanDerWaalsContact C-N 3.33Å; L187-Y189 PolarHBondContact O-N 3.03Å; Y189-V191 PolarHBondContact O-N 3.05Å; Y189-A192 PolarHBondContact O-N 3.36Å; Y189-L193 HydrophobicContact CE1-CD2 4.33Å; Y189-L193 WeakPolarHBondContact O-CB 3.35Å; Y189-L193 PolarHBondContact O-N 2.95Å
190N97.4Very high93Very high64 Ų6488.2 Ų88.234%0.34244%0.444SS..Hα-helixtrans-64-40.8-179-71.1-24.2000112.2E186 L187 L193 I194E186-N190 PolarHBondContact O-N 3.15Å; E186-N190 PolarHBondContact O-ND2 3.11Å; L187-N190 PolarHBondContact O-N 3.06Å; N190-L193 PolarHBondContact O-N 3.36Å; N190-I194 WeakPolarHBondContact O-CG1 3.21Å; N190-I194 PolarHBondContact O-N 2.82Å
191V95.8Very high92.4Very high70 Ų7091.6 Ų91.642%0.42446%0.458SS..Hα-helixtrans-62.5-44.9174.3171.40000110.6L187 Y189 L193 I194 L195L187-V191 HydrophobicContact CD1-CG2 4.02Å; L187-V191 HydrophobicContact CG-CG2 4.36Å; L187-V191 WeakPolarHBondContact O-CB 3.28Å; L187-V191 VanDerWaalsContact O-CG2 3.28Å; L187-V191 WeakPolarHBondContact O-CG2 3.46Å; L187-V191 PolarHBondContact O-N 3.06Å; Y189-V191 PolarHBondContact O-N 3.05Å; V191-L193 VanDerWaalsContact C-N 3.31Å; V191-L193 PolarHBondContact O-N 3Å; V191-I194 PolarHBondContact O-N 2.9Å; V191-L195 HydrophobicContact CG1-CD1 3.96Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CB 3.4Å; V191-L195 VanDerWaalsContact O-CG 3.28Å; V191-L195 WeakPolarHBondContact O-CG 3.39Å; V191-L195 PolarHBondContact O-N 3.14Å
192A96.6Very high91.5Very high54 Ų5493.6 Ų93.645%0.44646%0.463SS..Hα-helixtrans-63.1-37.3176.800000112.5R188 Y189 K196R188-A192 WeakPolarHBondContact O-CB 3.31Å; R188-A192 PolarHBondContact O-N 2.96Å; Y189-A192 PolarHBondContact O-N 3.36Å; A192-K196 WeakPolarHBondContact O-CB 3.27Å; A192-K196 PolarHBondContact O-N 3.17Å
193L96.7Very high90.5Very high62 Ų6295 Ų9533%0.32546%0.458SS..Hα-helixtrans-64.1-49.6175.5179.661.8000111.1Y189 N190 V191 L195 K196 E197Y189-L193 HydrophobicContact CE1-CD2 4.33Å; Y189-L193 WeakPolarHBondContact O-CB 3.35Å; Y189-L193 PolarHBondContact O-N 2.95Å; N190-L193 PolarHBondContact O-N 3.36Å; V191-L193 VanDerWaalsContact C-N 3.31Å; V191-L193 PolarHBondContact O-N 3Å; L193-L195 VanDerWaalsContact C-N 3.34Å; L193-L195 PolarHBondContact O-N 2.94Å; L193-K196 WeakPolarHBondContact O-CB 3.37Å; L193-K196 PolarHBondContact O-N 2.76Å; L193-K196 VanDerWaalsContact O-N 3.15Å; L193-E197 HydrophobicContact CD1-CG 4.45Å; L193-E197 WeakPolarHBondContact O-CG 3.21Å; L193-E197 PolarHBondContact O-N 2.9Å
194I95.3Very high89.1Confident92 Ų9299.2 Ų99.247%0.47247%0.471SS..Hα-helixtrans-60-45.3177.4-67.9165.2000110.4N190 V191 K196 E197 M198N190-I194 WeakPolarHBondContact O-CG1 3.21Å; N190-I194 PolarHBondContact O-N 2.82Å; V191-I194 PolarHBondContact O-N 2.9Å; I194-K196 VanDerWaalsContact C-N 3.29Å; I194-K196 PolarHBondContact O-N 3.21Å; I194-E197 PolarHBondContact O-N 2.86Å; I194-M198 HydrophobicContact CG2-CG 4.23Å; I194-M198 HydrophobicContact CG2-SD 3.88Å; I194-M198 WeakPolarHBondContact O-CB 3.31Å; I194-M198 VanDerWaalsContact O-CG 3.26Å; I194-M198 WeakPolarHBondContact O-CG 3.41Å; I194-M198 PolarHBondContact O-N 2.71Å
195L93.6Very high87Confident104 Ų10499 Ų9955%0.54548%0.479SS..Hα-helixtrans-61-39.1176.9-73173000112.2V191 L193 N199V191-L195 HydrophobicContact CG1-CD1 3.96Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CB 3.4Å; V191-L195 VanDerWaalsContact O-CG 3.28Å; V191-L195 WeakPolarHBondContact O-CG 3.39Å; V191-L195 PolarHBondContact O-N 3.14Å; L193-L195 VanDerWaalsContact C-N 3.34Å; L193-L195 PolarHBondContact O-N 2.94Å; L195-N199 VanDerWaalsContact O-CB 3.27Å; L195-N199 WeakPolarHBondContact O-CB 3.5Å; L195-N199 PolarHBondContact O-N 2.89Å
196K94Very high84.8Confident124 Ų124100.7 Ų100.754%0.53949%0.489SS..Hα-helixtrans-64.5-45.9174.1-177.1-170.1172.5-169.10111A192 L193 I194 N199 D200A192-K196 WeakPolarHBondContact O-CB 3.27Å; A192-K196 PolarHBondContact O-N 3.17Å; L193-K196 WeakPolarHBondContact O-CB 3.37Å; L193-K196 PolarHBondContact O-N 2.76Å; L193-K196 VanDerWaalsContact O-N 3.15Å; I194-K196 VanDerWaalsContact C-N 3.29Å; I194-K196 PolarHBondContact O-N 3.21Å; K196-N199 PolarHBondContact O-N 3.3Å; K196-D200 WeakPolarHBondContact O-CB 3.48Å; K196-D200 VanDerWaalsContact O-CG 3.31Å; K196-D200 PolarHBondContact O-N 2.58Å
197E91.6Very high82.4Confident112 Ų112100.2 Ų100.252%0.52349%0.489SS..Hα-helixtrans-62.9-41.5178.1-72.9-179.8169.200111.9L193 I194 D200 L201L193-E197 HydrophobicContact CD1-CG 4.45Å; L193-E197 WeakPolarHBondContact O-CG 3.21Å; L193-E197 PolarHBondContact O-N 2.9Å; I194-E197 PolarHBondContact O-N 2.86Å; E197-D200 PolarHBondContact O-N 3Å; E197-L201 VanDerWaalsContact O-CB 3.28Å; E197-L201 WeakPolarHBondContact O-CB 3.41Å; E197-L201 PolarHBondContact O-N 2.97Å
198M86.9Confident79.8Confident118 Ų118104.6 Ų104.658%0.58151%0.505SS*.Hα-helixtrans-60.3-47173.9-71.7175.67100111.5I194 L201 E202I194-M198 HydrophobicContact CG2-CG 4.23Å; I194-M198 HydrophobicContact CG2-SD 3.88Å; I194-M198 WeakPolarHBondContact O-CB 3.31Å; I194-M198 VanDerWaalsContact O-CG 3.26Å; I194-M198 WeakPolarHBondContact O-CG 3.41Å; I194-M198 PolarHBondContact O-N 2.71Å; M198-L201 WeakPolarHBondContact O-CB 2.95Å; M198-L201 PolarHBondContact O-N 3.21Å; M198-E202 WeakPolarHBondContact O-CB 3.47Å; M198-E202 PolarHBondContact O-N 2.87Å
199N85.7Confident77.6Confident60 Ų60103.2 Ų103.232%0.32151%0.508SS..Hα-helixtrans-66.3-37.5176.8176.955.5000112.4L195 K196 L201 K203L195-N199 VanDerWaalsContact O-CB 3.27Å; L195-N199 WeakPolarHBondContact O-CB 3.5Å; L195-N199 PolarHBondContact O-N 2.89Å; K196-N199 PolarHBondContact O-N 3.3Å; N199-L201 VanDerWaalsContact C-N 3.34Å; N199-K203 PolarHBondContact ND2-NZ 2.82Å; N199-K203 WeakPolarHBondContact O-CB 3.28Å; N199-K203 WeakPolarHBondContact O-CD 3.43Å; N199-K203 WeakPolarHBondContact O-CG 3.12Å; N199-K203 PolarHBondContact O-N 2.77Å; N199-K203 WeakPolarHBondContact OD1-CE 3.45Å; N199-K203 PolarHBondContact OD1-NZ 2.88Å
200D82.9Confident74.8Confident43 Ų43104.4 Ų104.423%0.2352%0.519CS..Hα-helixtrans-68-36.7174.6-77.4-7.5000110.5K196 E197 K203 R204K196-D200 WeakPolarHBondContact O-CB 3.48Å; K196-D200 VanDerWaalsContact O-CG 3.31Å; K196-D200 PolarHBondContact O-N 2.58Å; E197-D200 PolarHBondContact O-N 3Å; D200-K203 PolarHBondContact O-N 2.8Å; D200-R204 WeakPolarHBondContact O-CB 3.37Å; D200-R204 WeakPolarHBondContact O-CG 3.47Å; D200-R204 PolarHBondContact O-N 2.99Å
201L78.3Confident71.9Confident129 Ų129112.2 Ų112.268%0.67556%0.56SS**Hα-helixtrans-66.4-44175.2-167.7146.2000111.1E197 M198 N199 K203 R204E197-L201 VanDerWaalsContact O-CB 3.28Å; E197-L201 WeakPolarHBondContact O-CB 3.41Å; E197-L201 PolarHBondContact O-N 2.97Å; M198-L201 WeakPolarHBondContact O-CB 2.95Å; M198-L201 PolarHBondContact O-N 3.21Å; N199-L201 VanDerWaalsContact C-N 3.34Å; L201-K203 VanDerWaalsContact C-N 3.26Å; L201-K203 PolarHBondContact O-N 3.47Å; L201-R204 PolarHBondContact O-N 2.95Å
202E70.7Confident70.7Confident107 Ų107114.4 Ų114.450%0.557%0.567SS.*Hα-helixtrans-56.8-40.5172-171.9179.7-174.200111.7M198M198-E202 WeakPolarHBondContact O-CB 3.47Å; M198-E202 PolarHBondContact O-N 2.87Å
203K70.8Confident69.3Low117 Ų117117.5 Ų117.551%0.50957%0.574SS.*Hα-helixtrans-80.1-34-179.4-73.9169.9179.7169.80115.1N199 D200 L201 K208N199-K203 PolarHBondContact ND2-NZ 2.82Å; N199-K203 WeakPolarHBondContact O-CB 3.28Å; N199-K203 WeakPolarHBondContact O-CD 3.43Å; N199-K203 WeakPolarHBondContact O-CG 3.12Å; N199-K203 PolarHBondContact O-N 2.77Å; N199-K203 WeakPolarHBondContact OD1-CE 3.45Å; N199-K203 PolarHBondContact OD1-NZ 2.88Å; D200-K203 PolarHBondContact O-N 2.8Å; L201-K203 VanDerWaalsContact C-N 3.26Å; L201-K203 PolarHBondContact O-N 3.47Å; K203-K208 WeakPolarHBondContact O-CE 3.49Å
204R64.7Low67.8Low200 Ų200120.6 Ų120.676%0.75559%0.587SS**Hα-helixtrans-75.4-25.3-169.3-82.3176.1-172.3-1455.5113D200 L201D200-R204 WeakPolarHBondContact O-CB 3.37Å; D200-R204 WeakPolarHBondContact O-CG 3.47Å; D200-R204 PolarHBondContact O-N 2.99Å; L201-R204 PolarHBondContact O-N 2.95Å
205S47.8Very low66.2Low69 Ų69122.3 Ų122.348%0.48359%0.594SS.*THydrogen-bonded Turntrans-176.8145-177.1380000110.6
206I49Very low64.5Low118 Ų118123.4 Ų123.461%0.60560%0.597SS**THydrogen-bonded Turntrans95.2-32163.2-49.1176.6000117.3S9S9-I206 WeakPolarHBondContact OG-CG2 2.87Å; S9-I206 PolarHBondContact OG-O 3.07Å
207L46.3Very low62.5Low80 Ų80123.4 Ų123.442%0.41960%0.601SS.*  trans-12232.2-174.3-67172.5000115.2I209L207-I209 PolarHBondContact O-N 2.85Å
208K38.8Very low60.4Low171 Ų171124.2 Ų124.274%0.74361%0.607SS**  trans-71.397173.9-74.8-173.1178.8177.90110.7K203 Q210K203-K208 WeakPolarHBondContact O-CE 3.49Å; K208-Q210 PolarHBondContact O-N 2.61Å
209I48.7Very low58.4Low125 Ų125124.7 Ų124.764%0.64161%0.609SS**  trans-62.3115.4159.6-59.2162.3000106.5L207L207-I209 PolarHBondContact O-N 2.85Å
210Q39.3Very low56.1Low174 Ų174130.1 Ų130.181%0.81363%0.633SS**  trans-85.6122.9153.7-78.5-179.1-1000105.8K208K208-Q210 PolarHBondContact O-N 2.61Å
211D36.4Very low53.7Low228 Ų228138 Ų138100%1.21967%0.669SS**  trans-56.50170.6-72.8-36.1000111.9

Retrieved 211 of 211 residues in 456.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).