A0A087WTD0_HUMAN Loading...

GATOR complex protein NPRL3

As a component of the GATOR1 complex functions as an inhibitor of the amino acid-sensing branch of the TORC1 pathway.

AlphaFold DB , UniProt , Accession A0A087WTD0, Species HUMAN (Homo sapiens, Human), Gene NPRL3, Length 201 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.1Very low62.1Low203 Ų203100 Ų100100%151%0.513SS*.  022.30-65.1-167-72.500113.2
2C43.8Very low62.8Low53 Ų53102.6 Ų102.636%0.35853%0.529SS..THydrogen-bonded Turntrans-96139.1177.7-130.20000110.1Q4 L21 L45C2-Q4 VanDerWaalsContact C-N 3.34Å; C2-L21 HydrophobicContact CB-CB 4.13Å; C2-L21 HydrophobicContact CB-CD1 4.1Å; C2-L21 WeakPolarHBondContact SG-CB 3.34Å; C2-L21 PolarHBondContact SG-N 3Å; C2-L45 WeakPolarHBondContact SG-CD1 3.34Å
3G53Low63.3Low46 Ų4698.8 Ų98.847%0.47451%0.513SS..THydrogen-bonded Turntrans79.19.8-174.800000115.5H18 P19G3-H18 VanDerWaalsContact C-CE1 3.49Å; G3-H18 PolarHBondContact O-CE1 3.46Å; G3-H18 VanDerWaalsContact O-CE1 3.32Å; G3-P19 PolarHBondContact N-O 3.13Å
4Q55.6Low63.9Low128 Ų12895.7 Ų95.760%0.59849%0.491SS*.SBendtrans-106152.8174.5-75.2179.1-16.400110.7C2 F6 P19C2-Q4 VanDerWaalsContact C-N 3.34Å; Q4-F6 PolarHBondContact O-N 3.43Å; Q4-P19 VanDerWaalsContact O-CD 3.31Å; Q4-P19 WeakPolarHBondContact O-CD 3.33Å
5K60.3Low64.6Low95 Ų9593.7 Ų93.741%0.41348%0.478SS..  trans-55.4120.5175.9176171.2177.6-155.20109.9E7 H65K5-E7 WeakPolarHBondContact CE-OE2 3.19Å; K5-E7 IonicContact NZ-OE2 2.68Å; K5-E7 PolarHBondContact NZ-OE2 3.47Å; K5-H65 VanDerWaalsContact CA-NE2 3.31Å; K5-H65 WeakPolarHBondContact CA-NE2 3.29Å; K5-H65 VanDerWaalsContact CB-NE2 3.31Å; K5-H65 WeakPolarHBondContact CB-NE2 3.45Å; K5-H65 VanDerWaalsContact CG-CD2 3.47Å; K5-H65 WeakPolarHBondContact CG-CD2 3.29Å
6F69.4Low65.1Low78 Ų7887.9 Ų87.934%0.34245%0.448SS..EExtended strand (participates in β ladder)trans-95.3118.9169.5178.2-97.9000108.4Q4 L8 F15 V16 G17 P19Q4-F6 PolarHBondContact O-N 3.43Å; F6-L8 HydrophobicContact CE1-CB 3.88Å; F6-L8 HydrophobicContact CE2-CB 4.44Å; F6-L8 HydrophobicContact CZ-CB 3.7Å; F6-L8 HydrophobicContact CZ-CD2 4.06Å; F6-L8 HydrophobicContact CZ-CG 4.44Å; F6-F15 HydrophobicContact CE1-CB 4.43Å; F6-V16 CarbonylContact O-C 3.57Å; F6-V16 WeakPolarHBondContact O-CA 3.47Å; F6-G17 WeakPolarHBondContact CB-O 3.27Å; F6-G17 PolarHBondContact N-O 3.1Å; F6-G17 PolarHBondContact O-N 3.19Å; F6-P19 HydrophobicContact CB-CG 4.11Å
7E66.6Low65.4Low74 Ų7482.7 Ų82.735%0.34642%0.422SS..EExtended strand (participates in β ladder)trans-132.8117.6173.7-172.5173.516400108.2K5 R14 F15K5-E7 WeakPolarHBondContact CE-OE2 3.19Å; K5-E7 IonicContact NZ-OE2 2.68Å; K5-E7 PolarHBondContact NZ-OE2 3.47Å; E7-R14 HydrophobicContact CG-CG 4.12Å; E7-R14 VanDerWaalsContact OE1-CD 3.28Å; E7-R14 WeakPolarHBondContact OE1-CD 3.4Å; E7-R14 IonicContact OE1-CZ 3.58Å; E7-R14 IonicContact OE1-NE 3.74Å; E7-R14 IonicContact OE1-NH1 2.72Å; E7-R14 PolarHBondContact OE1-NH1 2.64Å; E7-F15 CarbonylContact C-O 3.47Å; E7-F15 VanDerWaalsContact CA-O 3.29Å; E7-F15 WeakPolarHBondContact CA-O 3.44Å
8L72.6Confident65.7Low76 Ų7679 Ų7940%0.39840%0.402SS..EExtended strand (participates in β ladder)trans-127.5121.8178.6-175.872.3000108.7F6 I10 R14 F15F6-L8 HydrophobicContact CE1-CB 3.88Å; F6-L8 HydrophobicContact CE2-CB 4.44Å; F6-L8 HydrophobicContact CZ-CB 3.7Å; F6-L8 HydrophobicContact CZ-CD2 4.06Å; F6-L8 HydrophobicContact CZ-CG 4.44Å; L8-I10 HydrophobicContact CD2-CD1 3.79Å; L8-I10 HydrophobicContact CD2-CG1 4.14Å; L8-I10 HydrophobicContact CG-CD1 4.32Å; L8-I10 HydrophobicContact CG-CG1 4.1Å; L8-R14 CarbonylContact O-C 3.56Å; L8-F15 HydrophobicContact CB-CB 4.27Å; L8-F15 PolarHBondContact N-O 3.06Å; L8-F15 WeakPolarHBondContact O-CB 3.02Å; L8-F15 PolarHBondContact O-N 2.9Å
9K69.6Low65.9Low123 Ų12375.5 Ų75.554%0.53539%0.386SS..EExtended strand (participates in β ladder)trans-103.8120.2174.3-176.5-179170.7179.50108.9D11 V13K9-D11 WeakPolarHBondContact CE-O 3.45Å; K9-V13 WeakPolarHBondContact CA-O 3.38Å
10I71.8Confident66Low88 Ų8872.3 Ų72.345%0.45137%0.369SS..EExtended strand (participates in β ladder)trans-122.6118.4171-56.2176000106.6L8 N12 V13 F15L8-I10 HydrophobicContact CD2-CD1 3.79Å; L8-I10 HydrophobicContact CD2-CG1 4.14Å; L8-I10 HydrophobicContact CG-CD1 4.32Å; L8-I10 HydrophobicContact CG-CG1 4.1Å; I10-N12 PolarHBondContact O-N 3.13Å; I10-N12 VanDerWaalsContact O-N 3.16Å; I10-V13 PolarHBondContact N-O 3.34Å; I10-V13 PolarHBondContact O-N 2.78Å; I10-F15 HydrophobicContact CB-CE2 4.37Å; I10-F15 HydrophobicContact CD1-CE2 4.24Å; I10-F15 HydrophobicContact CG1-CE2 4.45Å
11D74.1Confident66Low136 Ų13672 Ų7273%0.72737%0.368SS*.THydrogen-bonded Turntrans50.5-116.4-177.4-55.9-34.6000113K9K9-D11 WeakPolarHBondContact CE-O 3.45Å
12N70.1Confident66.9Low131 Ų13162.8 Ų62.870%0.70132%0.323SS*.THydrogen-bonded Turntrans-93.97-177.9-67.3-27.9000112.9I10 R53 A54I10-N12 PolarHBondContact O-N 3.13Å; I10-N12 VanDerWaalsContact O-N 3.16Å; N12-R53 CarbonylContact O-C 3.6Å; N12-R53 WeakPolarHBondContact O-CA 3.3Å; N12-A54 PolarHBondContact O-N 2.85Å
13V70.3Confident67.5Low54 Ų5467.1 Ų67.133%0.32734%0.338SS..EExtended strand (participates in β ladder)trans-121132-177.4-173.20000110.5K9 I10 F15 A51 L52K9-V13 WeakPolarHBondContact CA-O 3.38Å; I10-V13 PolarHBondContact N-O 3.34Å; I10-V13 PolarHBondContact O-N 2.78Å; V13-F15 HydrophobicContact CB-CE2 4.19Å; V13-F15 HydrophobicContact CB-CZ 4.41Å; V13-F15 HydrophobicContact CG1-CD2 4.29Å; V13-F15 HydrophobicContact CG1-CE1 4.16Å; V13-F15 HydrophobicContact CG1-CE2 3.8Å; V13-F15 HydrophobicContact CG1-CZ 3.73Å; V13-A51 HydrophobicContact CG1-CB 3.94Å; V13-L52 CarbonylContact C-O 3.55Å; V13-L52 VanDerWaalsContact CA-O 3.25Å; V13-L52 WeakPolarHBondContact CA-O 3.31Å
14R70.6Confident67.5Low55 Ų5569.1 Ų69.121%0.20834%0.335CS..EExtended strand (participates in β ladder)trans-113.7113.6175-168.1-176.1-67.5-144.413.7108.5E7 L8 V16 L52 A54E7-R14 HydrophobicContact CG-CG 4.12Å; E7-R14 VanDerWaalsContact OE1-CD 3.28Å; E7-R14 WeakPolarHBondContact OE1-CD 3.4Å; E7-R14 IonicContact OE1-CZ 3.58Å; E7-R14 IonicContact OE1-NE 3.74Å; E7-R14 IonicContact OE1-NH1 2.72Å; E7-R14 PolarHBondContact OE1-NH1 2.64Å; L8-R14 CarbonylContact O-C 3.56Å; R14-V16 HydrophobicContact CG-CG2 4.26Å; R14-L52 PolarHBondContact N-O 2.96Å; R14-L52 PolarHBondContact O-N 3.07Å; R14-A54 PolarHBondContact NH2-O 3.34Å
15F75.3Confident66.8Low66 Ų6667 Ų6729%0.28934%0.339SS..EExtended strand (participates in β ladder)trans-86.7123.5174.7-62-85.2000109.2F6 E7 L8 I10 V13 V49 F50 A51F6-F15 HydrophobicContact CE1-CB 4.43Å; E7-F15 CarbonylContact C-O 3.47Å; E7-F15 VanDerWaalsContact CA-O 3.29Å; E7-F15 WeakPolarHBondContact CA-O 3.44Å; L8-F15 HydrophobicContact CB-CB 4.27Å; L8-F15 PolarHBondContact N-O 3.06Å; L8-F15 WeakPolarHBondContact O-CB 3.02Å; L8-F15 PolarHBondContact O-N 2.9Å; I10-F15 HydrophobicContact CB-CE2 4.37Å; I10-F15 HydrophobicContact CD1-CE2 4.24Å; I10-F15 HydrophobicContact CG1-CE2 4.45Å; V13-F15 HydrophobicContact CB-CE2 4.19Å; V13-F15 HydrophobicContact CB-CZ 4.41Å; V13-F15 HydrophobicContact CG1-CD2 4.29Å; V13-F15 HydrophobicContact CG1-CE1 4.16Å; V13-F15 HydrophobicContact CG1-CE2 3.8Å; V13-F15 HydrophobicContact CG1-CZ 3.73Å; F15-V49 HydrophobicContact CB-CG1 3.77Å; F15-V49 HydrophobicContact CD1-CG1 3.98Å; F15-V49 HydrophobicContact CG-CG1 4.37Å; F15-F50 CarbonylContact C-O 3.56Å; F15-F50 WeakPolarHBondContact CA-O 3.43Å; F15-A51 HydrophobicContact CD1-CB 3.95Å; F15-A51 HydrophobicContact CE1-CB 3.82Å
16V71.9Confident66Low0 Ų071.3 Ų71.30%037%0.366CS..EExtended strand (participates in β ladder)trans-124.6120.7-179.4-176.10000108F6 R14 V49 F50 L52 I61 H65F6-V16 CarbonylContact O-C 3.57Å; F6-V16 WeakPolarHBondContact O-CA 3.47Å; R14-V16 HydrophobicContact CG-CG2 4.26Å; V16-V49 WeakPolarHBondContact O-CA 3.34Å; V16-F50 PolarHBondContact N-O 2.89Å; V16-F50 PolarHBondContact O-N 3.4Å; V16-L52 HydrophobicContact CB-CD1 4.27Å; V16-L52 HydrophobicContact CG2-CD1 3.89Å; V16-I61 HydrophobicContact CG1-CG2 4.4Å; V16-I61 HydrophobicContact CG2-CG2 3.9Å; V16-H65 HydrophobicContact CG1-CB 3.73Å
17G70.8Confident64.7Low0 Ų070.2 Ų70.20%038%0.376CS..EExtended strand (participates in β ladder)trans-151.5174.7-176.300000114.3F6 V48F6-G17 WeakPolarHBondContact CB-O 3.27Å; F6-G17 PolarHBondContact N-O 3.1Å; F6-G17 PolarHBondContact O-N 3.19Å; G17-V48 CarbonylContact C-O 3.59Å; G17-V48 WeakPolarHBondContact CA-O 3.46Å
18H70.3Confident63.3Low16 Ų1674.9 Ų74.97%0.07440%0.398CS..EExtended strand (participates in β ladder)trans-127.894.8176.7-163.774.9000110.3G3 T20 V48 H65 R69G3-H18 VanDerWaalsContact C-CE1 3.49Å; G3-H18 PolarHBondContact O-CE1 3.46Å; G3-H18 VanDerWaalsContact O-CE1 3.32Å; H18-T20 PolarHBondContact CD2-OG1 3.37Å; H18-T20 PolarHBondContact O-N 3.48Å; H18-T20 PolarHBondContact O-OG1 3.18Å; H18-T20 VanDerWaalsContact O-OG1 3.07Å; H18-V48 PolarHBondContact N-O 2.95Å; H18-V48 VanDerWaalsContact N-O 3.15Å; H18-H65 AromaticContact ND1-NE2 3.74Å; H18-R69 HydrophobicContact CB-CB 4.25Å
19P69.3Low61.7Low13 Ų1379.2 Ų79.28%0.08442%0.42CS..EExtended strand (participates in β ladder)trans-67.3119.4178.926.8-33.9000110G3 Q4 F6 N47G3-P19 PolarHBondContact N-O 3.13Å; Q4-P19 VanDerWaalsContact O-CD 3.31Å; Q4-P19 WeakPolarHBondContact O-CD 3.33Å; F6-P19 HydrophobicContact CB-CG 4.11Å; P19-N47 WeakPolarHBondContact CA-OD1 3.33Å; P19-N47 WeakPolarHBondContact CB-OD1 3.19Å
20T68.1Low60Low10 Ų1077.8 Ų77.86%0.06143%0.425CS..EExtended strand (participates in β ladder)trans-118.3119.5-171.4-57.10000110.2H18 F46 A72 Q76H18-T20 PolarHBondContact CD2-OG1 3.37Å; H18-T20 PolarHBondContact O-N 3.48Å; H18-T20 PolarHBondContact O-OG1 3.18Å; H18-T20 VanDerWaalsContact O-OG1 3.07Å; T20-F46 HydrophobicContact CG2-CE1 3.83Å; T20-F46 HydrophobicContact CG2-CZ 3.89Å; T20-F46 PolarHBondContact N-O 3Å; T20-F46 PolarHBondContact O-N 3.34Å; T20-F46 VanDerWaalsContact O-N 3.13Å; T20-A72 WeakPolarHBondContact OG1-CB 3.36Å; T20-Q76 HydrophobicContact CG2-CB 4.28Å
21L66.9Low58.5Low67 Ų6782.8 Ų82.835%0.35144%0.444SS..EExtended strand (participates in β ladder)trans-76128.8175.3-146.9103.3000108.4C2 Q23 L45 Q76C2-L21 HydrophobicContact CB-CB 4.13Å; C2-L21 HydrophobicContact CB-CD1 4.1Å; C2-L21 WeakPolarHBondContact SG-CB 3.34Å; C2-L21 PolarHBondContact SG-N 3Å; L21-Q23 HydrophobicContact CD2-CB 3.79Å; L21-Q23 HydrophobicContact CD2-CG 4.1Å; L21-Q23 PolarHBondContact O-N 3.36Å; L21-Q23 VanDerWaalsContact O-N 3.1Å; L21-L45 HydrophobicContact CD1-CD1 4.25Å; L21-Q76 PolarHBondContact O-NE2 3.29Å
22L64.8Low56.9Low10 Ų1082.2 Ų82.25%0.05245%0.446CS..  trans-83.878.4163-68.7166.6000106.6H24 M43 I44 F46 Q76 E79L22-H24 PolarHBondContact O-N 2.88Å; L22-M43 HydrophobicContact CD1-CB 4.07Å; L22-M43 HydrophobicContact CD1-CG 4.02Å; L22-M43 WeakPolarHBondContact CD1-O 3.43Å; L22-M43 HydrophobicContact CD1-SD 4.33Å; L22-I44 PolarHBondContact N-O 3.37Å; L22-F46 HydrophobicContact CD1-CD1 3.66Å; L22-F46 HydrophobicContact CD1-CE1 4.13Å; L22-F46 HydrophobicContact CD2-CD1 3.99Å; L22-F46 HydrophobicContact CD2-CE1 3.56Å; L22-F46 HydrophobicContact CG-CD1 3.61Å; L22-F46 HydrophobicContact CG-CE1 3.7Å; L22-Q76 HydrophobicContact CD2-CB 4.47Å; L22-Q76 HydrophobicContact CD2-CG 4.18Å; L22-E79 HydrophobicContact CD1-CG 3.95Å; L22-E79 HydrophobicContact CD2-CB 3.82Å; L22-E79 HydrophobicContact CD2-CG 3.71Å; L22-E79 HydrophobicContact CG-CG 4.42Å
23Q55.6Low55.2Low144 Ų14483.1 Ų83.167%0.67345%0.45SS*.  trans-7089.6173.3-158.1168-1.400108L21 A25L21-Q23 HydrophobicContact CD2-CB 3.79Å; L21-Q23 HydrophobicContact CD2-CG 4.1Å; L21-Q23 PolarHBondContact O-N 3.36Å; L21-Q23 VanDerWaalsContact O-N 3.1Å; Q23-A25 PolarHBondContact O-N 2.93Å
24H53Low54Low87 Ų8786.8 Ų86.840%0.40348%0.475SS..  trans-64.1121.9155.3-93.8-83.4000106.2L22 L26L22-H24 PolarHBondContact O-N 2.88Å; H24-L26 VanDerWaalsContact C-N 3.29Å; H24-L26 PolarHBondContact O-N 3.33Å
25A41.2Very low52.2Low83 Ų8388.8 Ų88.869%0.68650%0.498SS*.  trans-56.597.5169.300000108.4Q23 G27Q23-A25 PolarHBondContact O-N 2.93Å; A25-G27 PolarHBondContact O-N 3Å
26L43.1Very low51Low187 Ų18791.2 Ų91.298%0.97952%0.52SS*.SBendtrans-69.544.5161.6-80160.6000109.7H24H24-L26 VanDerWaalsContact C-N 3.29Å; H24-L26 PolarHBondContact O-N 3.33Å
27G42.5Very low49.4Very low54 Ų54100.6 Ų100.656%0.55756%0.561SS**  trans-166.653.5-164.100000112.3A25A25-G27 PolarHBondContact O-N 3Å
28Q38.4Very low48.4Very low173 Ų173111.9 Ų111.981%0.80860%0.604SS**  trans-173.474.9142.2-102.5176.13.200108.9S30Q28-S30 PolarHBondContact O-N 3.25Å; Q28-S30 VanDerWaalsContact O-N 3.08Å
29I38.5Very low47.3Very low167 Ų167117.4 Ų117.486%0.85663%0.63SS**  trans-77.576.3154-55.2166000105.2K31I29-K31 PolarHBondContact O-N 2.71Å
30S34.3Very low46.2Very low92 Ų92120.4 Ų120.464%0.64366%0.655SS**  trans-73.3111.1161.1-59.90000106Q28 T32Q28-S30 PolarHBondContact O-N 3.25Å; Q28-S30 VanDerWaalsContact O-N 3.08Å; S30-T32 PolarHBondContact O-N 3.43Å; S30-T32 VanDerWaalsContact O-N 3.1Å
31K40.4Very low45.3Very low193 Ų193122.2 Ų122.284%0.83967%0.667SS**SBendtrans-53.2109.1175.8-63173.3175.6178.90109.6I29I29-K31 PolarHBondContact O-N 2.71Å
32T40.7Very low44.7Very low125 Ų125124.2 Ų124.277%0.76768%0.682SS**  trans169.495.8145.845.30000108.7S30S30-T32 PolarHBondContact O-N 3.43Å; S30-T32 VanDerWaalsContact O-N 3.1Å
33D33.5Very low44.3Very low149 Ų149126 Ų12680%0.79769%0.691SS**  trans160.9127.7135.6-89.9-32.6000111.4S35D33-S35 PolarHBondContact O-N 2.88Å
34P44.3Very low44.6Very low131 Ų131124.9 Ų124.985%0.85169%0.689SS**  trans-86.198.7173.233.5-26.4000108.8
35S34.3Very low45.5Very low98 Ų98124.8 Ų124.869%0.68569%0.69SS**  trans-120.7132.3164.158.20000110.1D33D33-S35 PolarHBondContact O-N 2.88Å
36P49Very low47.1Very low117 Ų117121.4 Ų121.476%0.7666%0.66SS**SBendtrans-83.4142.7-173.533.8-32.2000110.5
37K38.2Very low48.6Very low197 Ų197116.3 Ų116.386%0.85763%0.634SS**  trans81.753.4167.1-49.1-178.8-179.6-177.10118.4E39K37-E39 PolarHBondContact O-N 3.13Å
38R50.6Low50.2Low236 Ų236114.7 Ų114.789%0.89161%0.613SS**  trans-85.495.4147-83.1-176.5177.6169.80.8108.1A40R38-A40 PolarHBondContact O-N 3.12Å
39E46.8Very low52.1Low133 Ų133109.4 Ų109.462%0.62159%0.592SS**  trans-53.8130.2169.1-71.2-176.6174.300108.9K37 K90K37-E39 PolarHBondContact O-N 3.13Å; E39-K90 IonicContact OE2-NZ 2.61Å; E39-K90 PolarHBondContact OE2-NZ 2.85Å
40A46.4Very low53.8Low75 Ų75103.1 Ų103.162%0.6256%0.559SS**  trans-56.8132.8-179.400000109.7R38 T42R38-A40 PolarHBondContact O-N 3.12Å; A40-T42 PolarHBondContact O-N 2.92Å
41P48.8Very low55.8Low49 Ų49101.9 Ų101.932%0.31856%0.555SS.*  trans-64.9112.6175.225.3-30.2000108.1M43P41-M43 PolarHBondContact O-N 3.49Å
42T53.8Low57.3Low109 Ų10994 Ų9467%0.66952%0.522SS*.  trans-76.4-9.2179.149.90000112.3A40A40-T42 PolarHBondContact O-N 2.92Å
43M56.6Low58.7Low46 Ų4698.3 Ų98.323%0.22752%0.523CS..  trans-106.9105.3-174.4-150.8175.7-166.100111.5L22 P41 F46 L85L22-M43 HydrophobicContact CD1-CB 4.07Å; L22-M43 HydrophobicContact CD1-CG 4.02Å; L22-M43 WeakPolarHBondContact CD1-O 3.43Å; L22-M43 HydrophobicContact CD1-SD 4.33Å; P41-M43 PolarHBondContact O-N 3.49Å; M43-F46 HydrophobicContact CE-CB 3.51Å; M43-F46 HydrophobicContact SD-CB 4.41Å; M43-L85 HydrophobicContact CE-CD2 3.64Å; M43-L85 HydrophobicContact SD-CB 4.43Å; M43-L85 HydrophobicContact SD-CD2 3.5Å; M43-L85 WeakPolarHBondContact SD-CD2 3.32Å; M43-L85 HydrophobicContact SD-CG 4.48Å
44I62.7Low60.2Low122 Ų12291.5 Ų91.563%0.62649%0.488SS*.SBendtrans-98.2-26.6-177.5-56.3169.9000110.9L22L22-I44 PolarHBondContact N-O 3.37Å
45L71.5Confident61Low84 Ų8492.7 Ų92.744%0.4449%0.487SS..EExtended strand (participates in β ladder)trans-145.6137.6-176.2-17776.1000109.4C2 L21C2-L45 WeakPolarHBondContact SG-CD1 3.34Å; L21-L45 HydrophobicContact CD1-CD1 4.25Å
46F74.9Confident62.5Low13 Ų1389.2 Ų89.26%0.05747%0.465CS..EExtended strand (participates in β ladder)trans-137.6148.316774.2-80.6000110.4T20 L22 M43 V48 A72 L75 Q76 L85T20-F46 HydrophobicContact CG2-CE1 3.83Å; T20-F46 HydrophobicContact CG2-CZ 3.89Å; T20-F46 PolarHBondContact N-O 3Å; T20-F46 PolarHBondContact O-N 3.34Å; T20-F46 VanDerWaalsContact O-N 3.13Å; L22-F46 HydrophobicContact CD1-CD1 3.66Å; L22-F46 HydrophobicContact CD1-CE1 4.13Å; L22-F46 HydrophobicContact CD2-CD1 3.99Å; L22-F46 HydrophobicContact CD2-CE1 3.56Å; L22-F46 HydrophobicContact CG-CD1 3.61Å; L22-F46 HydrophobicContact CG-CE1 3.7Å; M43-F46 HydrophobicContact CE-CB 3.51Å; M43-F46 HydrophobicContact SD-CB 4.41Å; F46-V48 HydrophobicContact CD2-CG2 4.27Å; F46-V48 HydrophobicContact CE2-CG2 4.17Å; F46-A72 HydrophobicContact CE2-CB 3.99Å; F46-A72 HydrophobicContact CZ-CB 4.27Å; F46-A72 WeakPolarHBondContact CZ-O 3.49Å; F46-L75 HydrophobicContact CD2-CD1 4.42Å; F46-L75 HydrophobicContact CE2-CB 3.68Å; F46-L75 HydrophobicContact CE2-CD1 3.91Å; F46-L75 HydrophobicContact CE2-CG 4.47Å; F46-L75 HydrophobicContact CZ-CB 3.77Å; F46-Q76 HydrophobicContact CE1-CB 4.43Å; F46-Q76 HydrophobicContact CZ-CB 4.31Å; F46-L85 HydrophobicContact CD1-CD1 4.24Å; F46-L85 HydrophobicContact CD2-CD1 4.07Å; F46-L85 HydrophobicContact CE1-CD1 4.25Å; F46-L85 HydrophobicContact CE2-CD1 4.07Å; F46-L85 HydrophobicContact CG-CD1 4.14Å; F46-L85 HydrophobicContact CZ-CD1 4.15Å
47N75.2Confident63.3Low80 Ų8087.8 Ų87.843%0.42845%0.451SS..EExtended strand (participates in β ladder)trans-127.4123-176.9-60.9-11.8000108.8P19 V49P19-N47 WeakPolarHBondContact CA-OD1 3.33Å; P19-N47 WeakPolarHBondContact CB-OD1 3.19Å; N47-V49 HydrophobicContact CB-CG2 4.09Å
48V76.4Confident64.7Low20 Ų2083.1 Ų83.112%0.12144%0.44CS..EExtended strand (participates in β ladder)trans-92.5118.5167.9-177.70000107.1G17 H18 F46 F50 I71 A72 L75G17-V48 CarbonylContact C-O 3.59Å; G17-V48 WeakPolarHBondContact CA-O 3.46Å; H18-V48 PolarHBondContact N-O 2.95Å; H18-V48 VanDerWaalsContact N-O 3.15Å; F46-V48 HydrophobicContact CD2-CG2 4.27Å; F46-V48 HydrophobicContact CE2-CG2 4.17Å; V48-F50 HydrophobicContact CG1-CE2 4.4Å; V48-I71 HydrophobicContact CG1-CB 4.44Å; V48-I71 HydrophobicContact CG1-CG2 4.12Å; V48-I71 HydrophobicContact CG2-CG2 3.99Å; V48-A72 HydrophobicContact CG2-CB 4.2Å; V48-L75 HydrophobicContact CG2-CD1 3.96Å
49V76.7Confident65.3Low61 Ų6173.9 Ų73.937%0.3741%0.412SS..EExtended strand (participates in β ladder)trans-128.4130.5-174.1-174.10000110.1F15 V16 N47F15-V49 HydrophobicContact CB-CG1 3.77Å; F15-V49 HydrophobicContact CD1-CG1 3.98Å; F15-V49 HydrophobicContact CG-CG1 4.37Å; V16-V49 WeakPolarHBondContact O-CA 3.34Å; N47-V49 HydrophobicContact CB-CG2 4.09Å
50F74.5Confident66.2Low36 Ų3668.6 Ų68.616%0.15839%0.389CS..EExtended strand (participates in β ladder)trans-101.7132.1169.8-67.7-77.2000109.9F15 V16 V48 L52 L64 L67 I71F15-F50 CarbonylContact C-O 3.56Å; F15-F50 WeakPolarHBondContact CA-O 3.43Å; V16-F50 PolarHBondContact N-O 2.89Å; V16-F50 PolarHBondContact O-N 3.4Å; V48-F50 HydrophobicContact CG1-CE2 4.4Å; F50-L52 HydrophobicContact CB-CD1 4.09Å; F50-L64 HydrophobicContact CD1-CD2 4.32Å; F50-L64 HydrophobicContact CD2-CB 4.32Å; F50-L64 HydrophobicContact CD2-CD2 4.38Å; F50-L64 HydrophobicContact CG-CD2 4.24Å; F50-L67 HydrophobicContact CE1-CD2 4.41Å; F50-L67 HydrophobicContact CE2-CB 4.38Å; F50-L67 HydrophobicContact CE2-CD2 4.17Å; F50-L67 HydrophobicContact CE2-CG 4.09Å; F50-L67 HydrophobicContact CZ-CD2 3.7Å; F50-L67 HydrophobicContact CZ-CG 3.96Å; F50-I71 HydrophobicContact CZ-CD1 4.01Å
51A76.8Confident67.3Low66 Ų6665.2 Ų65.255%0.54536%0.36SS..EExtended strand (participates in β ladder)trans-97.6119.6173.500000110V13 F15V13-A51 HydrophobicContact CG1-CB 3.94Å; F15-A51 HydrophobicContact CD1-CB 3.95Å; F15-A51 HydrophobicContact CE1-CB 3.82Å
52L72.6Confident68.2Low28 Ų2866.9 Ų66.915%0.14737%0.366CS..EExtended strand (participates in β ladder)trans-118.7161.2-179.3-74.4112.9000111.7V13 R14 V16 F50 A56 V60 L64V13-L52 CarbonylContact C-O 3.55Å; V13-L52 VanDerWaalsContact CA-O 3.25Å; V13-L52 WeakPolarHBondContact CA-O 3.31Å; R14-L52 PolarHBondContact N-O 2.96Å; R14-L52 PolarHBondContact O-N 3.07Å; V16-L52 HydrophobicContact CB-CD1 4.27Å; V16-L52 HydrophobicContact CG2-CD1 3.89Å; F50-L52 HydrophobicContact CB-CD1 4.09Å; L52-A56 HydrophobicContact CB-CB 4.4Å; L52-A56 HydrophobicContact CD2-CB 4Å; L52-V60 HydrophobicContact CD2-CG1 4.07Å; L52-L64 HydrophobicContact CD1-CB 4.49Å; L52-L64 HydrophobicContact CD1-CD1 3.58Å; L52-L64 HydrophobicContact CD2-CD1 3.23Å; L52-L64 HydrophobicContact CG-CD1 3.79Å
53R70Confident68.9Low214 Ų21462.8 Ų62.881%0.80834%0.342SS*.EExtended strand (participates in β ladder)trans-66.6144.6167.1-70-175.5-179.9174.10.1110.7N12 N55 A56N12-R53 CarbonylContact O-C 3.6Å; N12-R53 WeakPolarHBondContact O-CA 3.3Å; R53-N55 PolarHBondContact O-N 3.47Å; R53-N55 VanDerWaalsContact O-N 3.09Å; R53-A56 WeakPolarHBondContact O-CB 3.34Å; R53-A56 PolarHBondContact O-N 2.91Å
54A65.2Low69.5Low6 Ų660.8 Ų60.85%0.0533%0.332CS..THydrogen-bonded Turntrans-57-27-177.100000114.8N12 R14N12-A54 PolarHBondContact O-N 2.85Å; R14-A54 PolarHBondContact NH2-O 3.34Å
55N60.8Low70Confident156 Ų15656 Ų5683%0.83431%0.307SS*.THydrogen-bonded Turntrans-93.89.9-178.2-62.5-4.1000113.5R53R53-N55 PolarHBondContact O-N 3.47Å; R53-N55 VanDerWaalsContact O-N 3.09Å
56A64.1Low70Confident26 Ų2654.8 Ų54.822%0.21530%0.301CS..  trans-63.4141.5177.500000111.3L52 R53 I61L52-A56 HydrophobicContact CB-CB 4.4Å; L52-A56 HydrophobicContact CD2-CB 4Å; R53-A56 WeakPolarHBondContact O-CB 3.34Å; R53-A56 PolarHBondContact O-N 2.91Å; A56-I61 HydrophobicContact CB-CG1 4.39Å; A56-I61 WeakPolarHBondContact O-CD1 3.48Å
57D66.1Low69.9Low87 Ų8754.3 Ų54.347%0.46530%0.299SS..  trans-56.8140.3179.2-76.9-63.3000112.3S59 V60 I61 H155D57-S59 PolarHBondContact O-N 3.48Å; D57-S59 VanDerWaalsContact O-N 3.16Å; D57-V60 HydrophobicContact CB-CG2 4.1Å; D57-V60 WeakPolarHBondContact O-CB 3.42Å; D57-V60 PolarHBondContact O-N 3.27Å; D57-I61 PolarHBondContact O-N 2.97Å; D57-I61 VanDerWaalsContact O-N 3.09Å; D57-H155 IonicContact OD2-CE1 3.46Å; D57-H155 PolarHBondContact OD2-CE1 3.15Å; D57-H155 IonicContact OD2-ND1 3.94Å
58P67.8Low69.9Low98 Ų9850.5 Ų50.564%0.63628%0.279SS*.Hα-helixtrans-58.6-30.8179.922.2-31.7000112.8I61 N62P58-I61 PolarHBondContact O-N 3.39Å; P58-N62 PolarHBondContact O-N 2.93Å
59S63.5Low69.9Low42 Ų4256 Ų5629%0.29430%0.297SS..Hα-helixtrans-63.9-39.1174-48.70000112.3D57 N62 C63D57-S59 PolarHBondContact O-N 3.48Å; D57-S59 VanDerWaalsContact O-N 3.16Å; S59-N62 PolarHBondContact O-N 2.74Å; S59-C63 VanDerWaalsContact O-CB 3.32Å; S59-C63 WeakPolarHBondContact O-CB 3.36Å; S59-C63 PolarHBondContact O-N 3.45Å; S59-C63 PolarHBondContact O-SG 3.21Å
60V66Low69.7Low22 Ų2260 Ų6013%0.13331%0.305CS..Hα-helixtrans-69.9-39.9177.3178.90000110.4L52 D57 C63 L64 L153 H155L52-V60 HydrophobicContact CD2-CG1 4.07Å; D57-V60 HydrophobicContact CB-CG2 4.1Å; D57-V60 WeakPolarHBondContact O-CB 3.42Å; D57-V60 PolarHBondContact O-N 3.27Å; V60-C63 WeakPolarHBondContact O-CB 3.48Å; V60-C63 PolarHBondContact O-N 3.32Å; V60-L64 HydrophobicContact CG1-CD1 3.81Å; V60-L64 WeakPolarHBondContact O-CG 3.24Å; V60-L64 PolarHBondContact O-N 2.61Å; V60-L153 HydrophobicContact CG1-CD2 4.08Å; V60-H155 HydrophobicContact CG2-CB 4.07Å
61I68.9Low69.8Low5 Ų558.3 Ų58.33%0.02630%0.298CS..Hα-helixtrans-60.7-46.6174.8-68.4164.5000110.7V16 A56 D57 P58 C63 L64 H65V16-I61 HydrophobicContact CG1-CG2 4.4Å; V16-I61 HydrophobicContact CG2-CG2 3.9Å; A56-I61 HydrophobicContact CB-CG1 4.39Å; A56-I61 WeakPolarHBondContact O-CD1 3.48Å; D57-I61 PolarHBondContact O-N 2.97Å; D57-I61 VanDerWaalsContact O-N 3.09Å; P58-I61 PolarHBondContact O-N 3.39Å; I61-C63 VanDerWaalsContact C-N 3.34Å; I61-L64 PolarHBondContact O-N 3.43Å; I61-H65 WeakPolarHBondContact O-CB 3.49Å; I61-H65 PolarHBondContact O-N 3.21Å
62N68.5Low69.8Low83 Ų8355.2 Ų55.244%0.44427%0.272SS..Hα-helixtrans-65.3-39.5177.6-168.950.8000111.9P58 S59 H65 N66P58-N62 PolarHBondContact O-N 2.93Å; S59-N62 PolarHBondContact O-N 2.74Å; N62-H65 PolarHBondContact O-N 3.35Å; N62-N66 PolarHBondContact O-N 3.47Å; N62-N66 PolarHBondContact O-ND2 3.34Å
63C67Low70Confident23 Ų2357.5 Ų57.516%0.15529%0.288CS..Hα-helixtrans-56.7-53.5173.6-79.90000111.6S59 V60 I61 H65 N66 L67 F151S59-C63 VanDerWaalsContact O-CB 3.32Å; S59-C63 WeakPolarHBondContact O-CB 3.36Å; S59-C63 PolarHBondContact O-N 3.45Å; S59-C63 PolarHBondContact O-SG 3.21Å; V60-C63 WeakPolarHBondContact O-CB 3.48Å; V60-C63 PolarHBondContact O-N 3.32Å; I61-C63 VanDerWaalsContact C-N 3.34Å; C63-H65 VanDerWaalsContact C-N 3.28Å; C63-H65 PolarHBondContact O-N 3.28Å; C63-N66 WeakPolarHBondContact O-CB 3.31Å; C63-N66 PolarHBondContact O-N 2.87Å; C63-L67 PolarHBondContact O-N 3.19Å; C63-F151 HydrophobicContact CB-CE1 4Å; C63-F151 HydrophobicContact CB-CZ 3.53Å; C63-F151 WeakPolarHBondContact O-CE2 3.25Å; C63-F151 WeakPolarHBondContact O-CZ 3.44Å
64L70.5Confident70.3Confident5 Ų547.8 Ų47.83%0.02625%0.252CS..Hα-helixtrans-67.5-29.4-178.9-72162.9000113.1F50 L52 V60 I61 L67 S68 L133F50-L64 HydrophobicContact CD1-CD2 4.32Å; F50-L64 HydrophobicContact CD2-CB 4.32Å; F50-L64 HydrophobicContact CD2-CD2 4.38Å; F50-L64 HydrophobicContact CG-CD2 4.24Å; L52-L64 HydrophobicContact CD1-CB 4.49Å; L52-L64 HydrophobicContact CD1-CD1 3.58Å; L52-L64 HydrophobicContact CD2-CD1 3.23Å; L52-L64 HydrophobicContact CG-CD1 3.79Å; V60-L64 HydrophobicContact CG1-CD1 3.81Å; V60-L64 WeakPolarHBondContact O-CG 3.24Å; V60-L64 PolarHBondContact O-N 2.61Å; I61-L64 PolarHBondContact O-N 3.43Å; L64-L67 HydrophobicContact CD2-CD2 4.24Å; L64-L67 PolarHBondContact O-N 2.94Å; L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.35Å; L64-S68 PolarHBondContact O-OG 3.31Å; L64-L133 HydrophobicContact CD2-CD1 4.34Å; L64-L133 HydrophobicContact CD2-CD2 3.85Å
65H72.4Confident70.8Confident22 Ų2247.8 Ų47.810%0.10225%0.251CS..Hα-helixtrans-64.7-41.4169.1178.1-99.6000112.4K5 V16 H18 I61 N62 C63 L67 S68 R69K5-H65 VanDerWaalsContact CA-NE2 3.31Å; K5-H65 WeakPolarHBondContact CA-NE2 3.29Å; K5-H65 VanDerWaalsContact CB-NE2 3.31Å; K5-H65 WeakPolarHBondContact CB-NE2 3.45Å; K5-H65 VanDerWaalsContact CG-CD2 3.47Å; K5-H65 WeakPolarHBondContact CG-CD2 3.29Å; V16-H65 HydrophobicContact CG1-CB 3.73Å; H18-H65 AromaticContact ND1-NE2 3.74Å; I61-H65 WeakPolarHBondContact O-CB 3.49Å; I61-H65 PolarHBondContact O-N 3.21Å; N62-H65 PolarHBondContact O-N 3.35Å; C63-H65 VanDerWaalsContact C-N 3.28Å; C63-H65 PolarHBondContact O-N 3.28Å; H65-L67 VanDerWaalsContact C-N 3.34Å; H65-S68 PolarHBondContact O-N 3.04Å; H65-S68 PolarHBondContact O-OG 3.44Å; H65-R69 WeakPolarHBondContact O-CB 3.39Å; H65-R69 PolarHBondContact O-N 3.2Å
66N72Confident71.5Confident58 Ų5842.3 Ų42.331%0.3122%0.221SC..Hα-helixtrans-65.9-39175.2-78.3-71000111.7N62 C63 R69 R70 F151N62-N66 PolarHBondContact O-N 3.47Å; N62-N66 PolarHBondContact O-ND2 3.34Å; C63-N66 WeakPolarHBondContact O-CB 3.31Å; C63-N66 PolarHBondContact O-N 2.87Å; N66-R69 PolarHBondContact O-N 2.92Å; N66-R70 WeakPolarHBondContact O-CG 3.26Å; N66-R70 PolarHBondContact O-N 2.88Å; N66-F151 HydrophobicContact CB-CE2 4.38Å
67L72.8Confident72Confident2 Ų245.1 Ų45.11%0.0123%0.229CC..Hα-helixtrans-61.9-49.2173.6179.157.6000111.6F50 C63 L64 H65 R69 R70 I71 V149 F151F50-L67 HydrophobicContact CE1-CD2 4.41Å; F50-L67 HydrophobicContact CE2-CB 4.38Å; F50-L67 HydrophobicContact CE2-CD2 4.17Å; F50-L67 HydrophobicContact CE2-CG 4.09Å; F50-L67 HydrophobicContact CZ-CD2 3.7Å; F50-L67 HydrophobicContact CZ-CG 3.96Å; C63-L67 PolarHBondContact O-N 3.19Å; L64-L67 HydrophobicContact CD2-CD2 4.24Å; L64-L67 PolarHBondContact O-N 2.94Å; H65-L67 VanDerWaalsContact C-N 3.34Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.47Å; L67-R70 PolarHBondContact O-N 3.07Å; L67-R70 VanDerWaalsContact O-N 3.13Å; L67-I71 HydrophobicContact CD1-CD1 3.79Å; L67-I71 HydrophobicContact CD1-CG1 3.98Å; L67-I71 HydrophobicContact CD2-CD1 4.48Å; L67-I71 HydrophobicContact CG-CD1 3.8Å; L67-I71 HydrophobicContact CG-CG1 4.39Å; L67-I71 WeakPolarHBondContact O-CG1 3.16Å; L67-I71 PolarHBondContact O-N 3.38Å; L67-V149 HydrophobicContact CD1-CG1 3.79Å; L67-F151 HydrophobicContact CB-CD1 4.04Å; L67-F151 HydrophobicContact CB-CD2 4.05Å; L67-F151 HydrophobicContact CB-CE1 4.18Å; L67-F151 HydrophobicContact CB-CE2 4.21Å; L67-F151 HydrophobicContact CB-CG 3.99Å; L67-F151 HydrophobicContact CB-CZ 4.3Å; L67-F151 HydrophobicContact CD1-CB 3.68Å; L67-F151 HydrophobicContact CD1-CD1 4.34Å; L67-F151 HydrophobicContact CD1-CD2 4.31Å; L67-F151 HydrophobicContact CD1-CG 3.84Å; L67-F151 HydrophobicContact CD2-CD1 3.9Å; L67-F151 HydrophobicContact CD2-CE1 4.49Å; L67-F151 HydrophobicContact CD2-CG 4.25Å; L67-F151 HydrophobicContact CG-CD1 4.31Å; L67-F151 HydrophobicContact CG-CG 4.24Å
68S75.8Confident72.4Confident0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-60.9-40179.665.60000111.9L64 H65 A72L64-S68 WeakPolarHBondContact O-CB 3.4Å; L64-S68 PolarHBondContact O-N 3.35Å; L64-S68 PolarHBondContact O-OG 3.31Å; H65-S68 PolarHBondContact O-N 3.04Å; H65-S68 PolarHBondContact O-OG 3.44Å; S68-A72 VanDerWaalsContact O-CB 3.22Å; S68-A72 WeakPolarHBondContact O-CB 3.23Å; S68-A72 PolarHBondContact O-N 3.49Å
69R75.4Confident72.8Confident135 Ų13536.4 Ų36.451%0.50918%0.177SC..Hα-helixtrans-62.5-43.3173.9-175.8179.6-178.6-156.4-0.1112.7H18 H65 N66 L67 A72 T73H18-R69 HydrophobicContact CB-CB 4.25Å; H65-R69 WeakPolarHBondContact O-CB 3.39Å; H65-R69 PolarHBondContact O-N 3.2Å; N66-R69 PolarHBondContact O-N 2.92Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.47Å; R69-A72 PolarHBondContact O-N 2.96Å; R69-T73 PolarHBondContact O-N 3.16Å; R69-T73 PolarHBondContact O-OG1 3.41Å
70R73.5Confident73.2Confident145 Ų14542.1 Ų42.155%0.54719%0.192SC..Hα-helixtrans-63.5-52.5177.5-77.3175178.4-1071.5110.9N66 L67 A72 T73 V74 V149N66-R70 WeakPolarHBondContact O-CG 3.26Å; N66-R70 PolarHBondContact O-N 2.88Å; L67-R70 PolarHBondContact O-N 3.07Å; L67-R70 VanDerWaalsContact O-N 3.13Å; R70-A72 PolarHBondContact O-N 2.94Å; R70-T73 WeakPolarHBondContact O-CB 3.4Å; R70-T73 PolarHBondContact O-N 3.11Å; R70-V74 VanDerWaalsContact O-CG2 3.31Å; R70-V74 WeakPolarHBondContact O-CG2 3.34Å; R70-V74 PolarHBondContact O-N 3.49Å; R70-V149 HydrophobicContact CB-CG1 4.03Å
71I76.2Confident73.4Confident2 Ų246.9 Ų46.91%0.0121%0.208CC..Hα-helixtrans-54.7-45.3176.3-66.4171.7000110V48 F50 L67 T73 V74 L75 L141 I143V48-I71 HydrophobicContact CG1-CB 4.44Å; V48-I71 HydrophobicContact CG1-CG2 4.12Å; V48-I71 HydrophobicContact CG2-CG2 3.99Å; F50-I71 HydrophobicContact CZ-CD1 4.01Å; L67-I71 HydrophobicContact CD1-CD1 3.79Å; L67-I71 HydrophobicContact CD1-CG1 3.98Å; L67-I71 HydrophobicContact CD2-CD1 4.48Å; L67-I71 HydrophobicContact CG-CD1 3.8Å; L67-I71 HydrophobicContact CG-CG1 4.39Å; L67-I71 WeakPolarHBondContact O-CG1 3.16Å; L67-I71 PolarHBondContact O-N 3.38Å; I71-T73 VanDerWaalsContact C-N 3.33Å; I71-T73 PolarHBondContact O-N 2.97Å; I71-V74 PolarHBondContact O-N 2.99Å; I71-L75 HydrophobicContact CG2-CD1 3.75Å; I71-L75 HydrophobicContact CG2-CG 4.2Å; I71-L75 VanDerWaalsContact O-CB 3.3Å; I71-L75 WeakPolarHBondContact O-CB 3.38Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.31Å; I71-L75 PolarHBondContact O-N 3.02Å; I71-L141 HydrophobicContact CD1-CD1 4.28Å; I71-I143 HydrophobicContact CG2-CD1 3.97Å
72A76.9Confident73.4Confident0 Ų049.3 Ų49.30%023%0.225CC..Hα-helixtrans-66-35.3179.800000113T20 F46 V48 S68 R69 R70 Q76T20-A72 WeakPolarHBondContact OG1-CB 3.36Å; F46-A72 HydrophobicContact CE2-CB 3.99Å; F46-A72 HydrophobicContact CZ-CB 4.27Å; F46-A72 WeakPolarHBondContact CZ-O 3.49Å; V48-A72 HydrophobicContact CG2-CB 4.2Å; S68-A72 VanDerWaalsContact O-CB 3.22Å; S68-A72 WeakPolarHBondContact O-CB 3.23Å; S68-A72 PolarHBondContact O-N 3.49Å; R69-A72 PolarHBondContact O-N 2.96Å; R70-A72 PolarHBondContact O-N 2.94Å; A72-Q76 VanDerWaalsContact O-CB 3.27Å; A72-Q76 WeakPolarHBondContact O-CB 3.02Å; A72-Q76 PolarHBondContact O-N 3.44Å
73T75.7Confident73.7Confident77 Ų7748.7 Ų48.747%0.47222%0.219SC..Hα-helixtrans-66.3-43.1174.8-55.40000111.3R69 R70 I71 Q76 H77R69-T73 PolarHBondContact O-N 3.16Å; R69-T73 PolarHBondContact O-OG1 3.41Å; R70-T73 WeakPolarHBondContact O-CB 3.4Å; R70-T73 PolarHBondContact O-N 3.11Å; I71-T73 VanDerWaalsContact C-N 3.33Å; I71-T73 PolarHBondContact O-N 2.97Å; T73-Q76 PolarHBondContact O-N 3.32Å; T73-H77 PolarHBondContact O-N 3.29Å
74V76.3Confident74.1Confident9 Ų948.4 Ų48.46%0.05522%0.215CC..Hα-helixtrans-62-48.6176176.40000110.8R70 I71 Q76 H77 E78 I143 L147 V149R70-V74 VanDerWaalsContact O-CG2 3.31Å; R70-V74 WeakPolarHBondContact O-CG2 3.34Å; R70-V74 PolarHBondContact O-N 3.49Å; I71-V74 PolarHBondContact O-N 2.99Å; V74-Q76 VanDerWaalsContact C-N 3.3Å; V74-Q76 PolarHBondContact O-N 3.31Å; V74-H77 WeakPolarHBondContact O-CB 3.36Å; V74-H77 PolarHBondContact O-N 3.27Å; V74-H77 VanDerWaalsContact O-N 3.08Å; V74-E78 HydrophobicContact CG1-CG 4.45Å; V74-E78 PolarHBondContact O-N 3.03Å; V74-I143 HydrophobicContact CB-CD1 4.07Å; V74-I143 HydrophobicContact CG1-CB 3.76Å; V74-I143 HydrophobicContact CG1-CD1 3.79Å; V74-I143 HydrophobicContact CG1-CG1 4.12Å; V74-I143 HydrophobicContact CG1-CG2 4.16Å; V74-L147 HydrophobicContact CB-CD2 3.98Å; V74-L147 HydrophobicContact CG1-CB 4.04Å; V74-L147 HydrophobicContact CG1-CD2 3.82Å; V74-L147 HydrophobicContact CG1-CG 4.31Å; V74-L147 HydrophobicContact CG2-CD2 3.33Å; V74-L147 HydrophobicContact CG2-CG 3.97Å; V74-V149 HydrophobicContact CG2-CG2 3.58Å
75L76.3Confident74.4Confident6 Ų648.8 Ų48.83%0.03122%0.217CC..Hα-helixtrans-61.3-37.9177.7-78.3-179.7000112.6F46 V48 I71 H77 E78 E79 L85 L122 I143F46-L75 HydrophobicContact CD2-CD1 4.42Å; F46-L75 HydrophobicContact CE2-CB 3.68Å; F46-L75 HydrophobicContact CE2-CD1 3.91Å; F46-L75 HydrophobicContact CE2-CG 4.47Å; F46-L75 HydrophobicContact CZ-CB 3.77Å; V48-L75 HydrophobicContact CG2-CD1 3.96Å; I71-L75 HydrophobicContact CG2-CD1 3.75Å; I71-L75 HydrophobicContact CG2-CG 4.2Å; I71-L75 VanDerWaalsContact O-CB 3.3Å; I71-L75 WeakPolarHBondContact O-CB 3.38Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.31Å; I71-L75 PolarHBondContact O-N 3.02Å; L75-H77 VanDerWaalsContact C-N 3.33Å; L75-E78 PolarHBondContact O-N 3.35Å; L75-E79 WeakPolarHBondContact O-CB 3.42Å; L75-E79 PolarHBondContact O-N 3.39Å; L75-L85 HydrophobicContact CB-CD1 3.63Å; L75-L85 HydrophobicContact CD1-CD1 4.2Å; L75-L85 HydrophobicContact CD2-CD1 4.01Å; L75-L85 HydrophobicContact CD2-CG 4.39Å; L75-L85 HydrophobicContact CG-CD1 4.16Å; L75-L122 HydrophobicContact CD2-CD1 3.82Å; L75-L122 HydrophobicContact CD2-CD2 4.39Å; L75-I143 HydrophobicContact CD2-CD1 4.31Å; L75-I143 HydrophobicContact CD2-CG2 4.1Å; L75-I143 HydrophobicContact CG-CD1 4.2Å
76Q75.8Confident74.5Confident41 Ų4148 Ų4819%0.19221%0.214CC..Hα-helixtrans-63.8-39.5173.5-177.418044.300111.7T20 L21 L22 F46 A72 T73 V74 R80T20-Q76 HydrophobicContact CG2-CB 4.28Å; L21-Q76 PolarHBondContact O-NE2 3.29Å; L22-Q76 HydrophobicContact CD2-CB 4.47Å; L22-Q76 HydrophobicContact CD2-CG 4.18Å; F46-Q76 HydrophobicContact CE1-CB 4.43Å; F46-Q76 HydrophobicContact CZ-CB 4.31Å; A72-Q76 VanDerWaalsContact O-CB 3.27Å; A72-Q76 WeakPolarHBondContact O-CB 3.02Å; A72-Q76 PolarHBondContact O-N 3.44Å; T73-Q76 PolarHBondContact O-N 3.32Å; V74-Q76 VanDerWaalsContact C-N 3.3Å; V74-Q76 PolarHBondContact O-N 3.31Å; Q76-R80 WeakPolarHBondContact O-CG 3.27Å; Q76-R80 PolarHBondContact O-N 2.93Å
77H75.5Confident74.7Confident85 Ų8553.1 Ų53.139%0.39423%0.229SC..Hα-helixtrans-65.9-46175.6-175.2-82.2000111.5T73 V74 L75 E79 R80 R81 W146T73-H77 PolarHBondContact O-N 3.29Å; V74-H77 WeakPolarHBondContact O-CB 3.36Å; V74-H77 PolarHBondContact O-N 3.27Å; V74-H77 VanDerWaalsContact O-N 3.08Å; L75-H77 VanDerWaalsContact C-N 3.33Å; H77-E79 VanDerWaalsContact C-N 3.32Å; H77-E79 PolarHBondContact O-N 2.84Å; H77-R80 PolarHBondContact O-N 3.47Å; H77-R81 WeakPolarHBondContact O-CB 3.4Å; H77-R81 PolarHBondContact O-N 2.93Å; H77-W146 AromaticContact CE1-CZ3 3.36Å; H77-W146 WeakPolarHBondContact CE1-CZ3 3.44Å; H77-W146 AromaticContact ND1-CZ3 3.83Å
78E73.5Confident74.9Confident1 Ų154 Ų541%0.00523%0.233CC..Hα-helixtrans-63.9-35.6178.2-74.9-61.4114.500112.8V74 L75 R81 C82 Q83 Y84 I143 N144V74-E78 HydrophobicContact CG1-CG 4.45Å; V74-E78 PolarHBondContact O-N 3.03Å; L75-E78 PolarHBondContact O-N 3.35Å; E78-R81 PolarHBondContact O-N 3.47Å; E78-R81 IonicContact OE1-NH1 3.95Å; E78-C82 PolarHBondContact O-N 3.31Å; E78-Q83 PolarHBondContact O-N 2.98Å; E78-Y84 HydrophobicContact CB-CD1 4.48Å; E78-I143 HydrophobicContact CG-CG2 4.5Å; E78-N144 PolarHBondContact OE2-ND2 3Å
79E75.9Confident75Confident2 Ų255.3 Ų55.31%0.00924%0.244CC..Hα-helixtrans-65-44.4173.3-174.657.3-15800111.8L22 L75 H77 R81 Q83 Y84 L85 T86L22-E79 HydrophobicContact CD1-CG 3.95Å; L22-E79 HydrophobicContact CD2-CB 3.82Å; L22-E79 HydrophobicContact CD2-CG 3.71Å; L22-E79 HydrophobicContact CG-CG 4.42Å; L75-E79 WeakPolarHBondContact O-CB 3.42Å; L75-E79 PolarHBondContact O-N 3.39Å; H77-E79 VanDerWaalsContact C-N 3.32Å; H77-E79 PolarHBondContact O-N 2.84Å; E79-R81 VanDerWaalsContact C-N 3.32Å; E79-R81 PolarHBondContact O-N 2.87Å; E79-Q83 VanDerWaalsContact O-CA 3.25Å; E79-Q83 WeakPolarHBondContact O-CA 3.25Å; E79-Q83 PolarHBondContact O-N 3.34Å; E79-Q83 WeakPolarHBondContact OE2-CA 3.27Å; E79-Y84 PolarHBondContact OE2-N 2.9Å; E79-L85 HydrophobicContact CB-CB 4.3Å; E79-L85 HydrophobicContact CG-CB 4.45Å; E79-L85 VanDerWaalsContact OE2-CA 3.27Å; E79-L85 WeakPolarHBondContact OE2-CA 3.21Å; E79-L85 WeakPolarHBondContact OE2-CB 3.49Å; E79-L85 PolarHBondContact OE2-N 3.43Å; E79-T86 WeakPolarHBondContact OE1-CB 3.44Å; E79-T86 PolarHBondContact OE1-OG1 2.97Å; E79-T86 PolarHBondContact OE2-N 2.95Å
80R71.8Confident75.2Confident161 Ų16152.6 Ų52.661%0.60824%0.236SC*.Hα-helixtrans-64.8-36.2176.5-73.3179.1-176.8162.83.5112.7Q76 H77Q76-R80 WeakPolarHBondContact O-CG 3.27Å; Q76-R80 PolarHBondContact O-N 2.93Å; H77-R80 PolarHBondContact O-N 3.47Å
81R71.5Confident75.4Confident122 Ų12248.7 Ų48.746%0.4623%0.225SC..Hα-helixtrans-76.9-49.9-175.3-169.4-170.5176.1-170.62.2112.3H77 E78 E79 W146H77-R81 WeakPolarHBondContact O-CB 3.4Å; H77-R81 PolarHBondContact O-N 2.93Å; E78-R81 PolarHBondContact O-N 3.47Å; E78-R81 IonicContact OE1-NH1 3.95Å; E79-R81 VanDerWaalsContact C-N 3.32Å; E79-R81 PolarHBondContact O-N 2.87Å; R81-W146 VanDerWaalsContact NH1-CE2 3.26Å
82C68.8Low75.5Confident57 Ų5751 Ų5139%0.38524%0.237SC..Hα-helixtrans-135.14.7-168.4-68.60000114.5E78 Y84 R87E78-C82 PolarHBondContact O-N 3.31Å; C82-Y84 PolarHBondContact O-N 3.48Å; C82-R87 PolarHBondContact O-NE 3.45Å
83Q75.3Confident75.5Confident70 Ų7055.8 Ų55.833%0.32726%0.262SS..  trans54.335.5-172.2-58.6176.8-27.900111.9E78 E79 L85 T86 R87E78-Q83 PolarHBondContact O-N 2.98Å; E79-Q83 VanDerWaalsContact O-CA 3.25Å; E79-Q83 WeakPolarHBondContact O-CA 3.25Å; E79-Q83 PolarHBondContact O-N 3.34Å; E79-Q83 WeakPolarHBondContact OE2-CA 3.27Å; Q83-L85 VanDerWaalsContact C-N 3.3Å; Q83-L85 PolarHBondContact O-N 3.47Å; Q83-T86 PolarHBondContact O-N 3.44Å; Q83-R87 VanDerWaalsContact O-CG 3.3Å; Q83-R87 WeakPolarHBondContact O-CG 3.46Å; Q83-R87 PolarHBondContact O-N 3.18Å
84Y75.3Confident75.7Confident16 Ų1654.4 Ų54.46%0.06326%0.259CS..Hα-helixtrans-58.4-43.7-174.5177.8-108.8000111.6E78 E79 C82 R87 E88 K121 L122 I143E78-Y84 HydrophobicContact CB-CD1 4.48Å; E79-Y84 PolarHBondContact OE2-N 2.9Å; C82-Y84 PolarHBondContact O-N 3.48Å; Y84-R87 PolarHBondContact O-N 2.96Å; Y84-E88 HydrophobicContact CD1-CG 4.4Å; Y84-E88 HydrophobicContact CD2-CG 4.17Å; Y84-E88 HydrophobicContact CE1-CG 4.07Å; Y84-E88 HydrophobicContact CE2-CG 3.79Å; Y84-E88 HydrophobicContact CG-CG 4.46Å; Y84-E88 VanDerWaalsContact O-CG 3.31Å; Y84-E88 WeakPolarHBondContact O-CG 3.49Å; Y84-E88 PolarHBondContact O-N 3.22Å; Y84-K121 WeakPolarHBondContact OH-CB 3.46Å; Y84-L122 HydrophobicContact CE1-CB 4.09Å; Y84-L122 HydrophobicContact CE1-CD1 4.37Å; Y84-L122 PolarHBondContact OH-N 2.87Å; Y84-I143 HydrophobicContact CE1-CG2 4.48Å
85L75Confident75.6Confident13 Ų1354.4 Ų54.47%0.06826%0.259CS..Hα-helixtrans-68-42.7-179-127159000111.2M43 F46 L75 E79 Q83 R87 E88 A89M43-L85 HydrophobicContact CE-CD2 3.64Å; M43-L85 HydrophobicContact SD-CB 4.43Å; M43-L85 HydrophobicContact SD-CD2 3.5Å; M43-L85 WeakPolarHBondContact SD-CD2 3.32Å; M43-L85 HydrophobicContact SD-CG 4.48Å; F46-L85 HydrophobicContact CD1-CD1 4.24Å; F46-L85 HydrophobicContact CD2-CD1 4.07Å; F46-L85 HydrophobicContact CE1-CD1 4.25Å; F46-L85 HydrophobicContact CE2-CD1 4.07Å; F46-L85 HydrophobicContact CG-CD1 4.14Å; F46-L85 HydrophobicContact CZ-CD1 4.15Å; L75-L85 HydrophobicContact CB-CD1 3.63Å; L75-L85 HydrophobicContact CD1-CD1 4.2Å; L75-L85 HydrophobicContact CD2-CD1 4.01Å; L75-L85 HydrophobicContact CD2-CG 4.39Å; L75-L85 HydrophobicContact CG-CD1 4.16Å; E79-L85 HydrophobicContact CB-CB 4.3Å; E79-L85 HydrophobicContact CG-CB 4.45Å; E79-L85 VanDerWaalsContact OE2-CA 3.27Å; E79-L85 WeakPolarHBondContact OE2-CA 3.21Å; E79-L85 WeakPolarHBondContact OE2-CB 3.49Å; E79-L85 PolarHBondContact OE2-N 3.43Å; Q83-L85 VanDerWaalsContact C-N 3.3Å; Q83-L85 PolarHBondContact O-N 3.47Å; L85-R87 VanDerWaalsContact C-N 3.33Å; L85-R87 PolarHBondContact O-N 3.43Å; L85-E88 PolarHBondContact O-N 2.9Å; L85-A89 WeakPolarHBondContact O-CB 3.47Å; L85-A89 PolarHBondContact O-N 2.56Å
86T75.9Confident75.5Confident7 Ų758.4 Ų58.44%0.04328%0.277CS..Hα-helixtrans-61.8-40.1174.6-68.30000111.8E79 Q83 K90E79-T86 WeakPolarHBondContact OE1-CB 3.44Å; E79-T86 PolarHBondContact OE1-OG1 2.97Å; E79-T86 PolarHBondContact OE2-N 2.95Å; Q83-T86 PolarHBondContact O-N 3.44Å; T86-K90 HydrophobicContact CG2-CD 4.32Å; T86-K90 WeakPolarHBondContact O-CB 3.31Å; T86-K90 WeakPolarHBondContact O-CG 3.31Å; T86-K90 PolarHBondContact O-N 3.1Å
87R75.9Confident75.5Confident164 Ų16461.6 Ų61.662%0.61930%0.295SS*.Hα-helixtrans-66.4-50.1177.3-71.1172.1-172.2-131.3-0.3111.9C82 Q83 Y84 L85 A89 K90 L91C82-R87 PolarHBondContact O-NE 3.45Å; Q83-R87 VanDerWaalsContact O-CG 3.3Å; Q83-R87 WeakPolarHBondContact O-CG 3.46Å; Q83-R87 PolarHBondContact O-N 3.18Å; Y84-R87 PolarHBondContact O-N 2.96Å; L85-R87 VanDerWaalsContact C-N 3.33Å; L85-R87 PolarHBondContact O-N 3.43Å; R87-A89 VanDerWaalsContact C-N 3.32Å; R87-A89 PolarHBondContact O-N 3.04Å; R87-K90 PolarHBondContact O-N 3.08Å; R87-L91 WeakPolarHBondContact O-CB 3.31Å; R87-L91 PolarHBondContact O-N 3.32Å
88E76.9Confident75.5Confident21 Ų2162.7 Ų62.710%0.09830%0.301CS..Hα-helixtrans-63.9-38.6178.6-65.8-70.4141.400110.8Y84 L85 L91 I92 C120 K121 L122Y84-E88 HydrophobicContact CD1-CG 4.4Å; Y84-E88 HydrophobicContact CD2-CG 4.17Å; Y84-E88 HydrophobicContact CE1-CG 4.07Å; Y84-E88 HydrophobicContact CE2-CG 3.79Å; Y84-E88 HydrophobicContact CG-CG 4.46Å; Y84-E88 VanDerWaalsContact O-CG 3.31Å; Y84-E88 WeakPolarHBondContact O-CG 3.49Å; Y84-E88 PolarHBondContact O-N 3.22Å; L85-E88 PolarHBondContact O-N 2.9Å; E88-L91 PolarHBondContact O-N 3Å; E88-I92 VanDerWaalsContact O-CG1 3.23Å; E88-I92 WeakPolarHBondContact O-CG1 3.3Å; E88-I92 PolarHBondContact O-N 2.98Å; E88-C120 WeakPolarHBondContact OE2-CA 3.1Å; E88-C120 PolarHBondContact OE2-SG 3.43Å; E88-K121 PolarHBondContact OE2-N 2.81Å; E88-K121 VanDerWaalsContact OE2-N 3.07Å; E88-L122 HydrophobicContact CB-CB 4.45Å; E88-L122 HydrophobicContact CG-CB 4.19Å
89A77.8Confident75.3Confident28 Ų2864.3 Ų64.323%0.23131%0.311CS..Hα-helixtrans-64.1-43.5175.700000112.7L85 R87 L91 I92 L93L85-A89 WeakPolarHBondContact O-CB 3.47Å; L85-A89 PolarHBondContact O-N 2.56Å; R87-A89 VanDerWaalsContact C-N 3.32Å; R87-A89 PolarHBondContact O-N 3.04Å; A89-L91 VanDerWaalsContact C-N 3.31Å; A89-L91 PolarHBondContact O-N 3.05Å; A89-I92 PolarHBondContact O-N 2.94Å; A89-L93 WeakPolarHBondContact O-CB 3.5Å; A89-L93 WeakPolarHBondContact O-CG 3.39Å; A89-L93 PolarHBondContact O-N 3.14Å
90K79.3Confident74.9Confident77 Ų7767.5 Ų67.534%0.33533%0.333SS..Hα-helixtrans-61.7-40.8173.7-77.2176.1179.4174.30111.6E39 T86 R87 L93 A94E39-K90 IonicContact OE2-NZ 2.61Å; E39-K90 PolarHBondContact OE2-NZ 2.85Å; T86-K90 HydrophobicContact CG2-CD 4.32Å; T86-K90 WeakPolarHBondContact O-CB 3.31Å; T86-K90 WeakPolarHBondContact O-CG 3.31Å; T86-K90 PolarHBondContact O-N 3.1Å; R87-K90 PolarHBondContact O-N 3.08Å; K90-L93 PolarHBondContact O-N 2.76Å; K90-A94 VanDerWaalsContact O-CB 3.31Å; K90-A94 WeakPolarHBondContact O-CB 3.39Å; K90-A94 PolarHBondContact O-N 3.23Å
91L78.1Confident74.7Confident63 Ų6363.3 Ų63.333%0.3333%0.333SS..Hα-helixtrans-64.4-43.9176.7-175.6146.8000111.2R87 E88 A89 A94 L95 K119 C120R87-L91 WeakPolarHBondContact O-CB 3.31Å; R87-L91 PolarHBondContact O-N 3.32Å; E88-L91 PolarHBondContact O-N 3Å; A89-L91 VanDerWaalsContact C-N 3.31Å; A89-L91 PolarHBondContact O-N 3.05Å; L91-A94 PolarHBondContact O-N 2.92Å; L91-L95 HydrophobicContact CD2-CD1 3.53Å; L91-L95 HydrophobicContact CD2-CG 4.38Å; L91-L95 HydrophobicContact CG-CD1 4.32Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 2.86Å; L91-K119 HydrophobicContact CD2-CB 4.17Å; L91-C120 HydrophobicContact CD2-CB 4.09Å
92I78.3Confident74.2Confident50 Ų5064.6 Ų64.626%0.25635%0.346SS..Hα-helixtrans-61.3-47.3175.5-67.9164.6000110.9E88 A89 L95 Q96 I116 C120E88-I92 VanDerWaalsContact O-CG1 3.23Å; E88-I92 WeakPolarHBondContact O-CG1 3.3Å; E88-I92 PolarHBondContact O-N 2.98Å; A89-I92 PolarHBondContact O-N 2.94Å; I92-L95 PolarHBondContact O-N 3.35Å; I92-Q96 WeakPolarHBondContact O-CB 3.39Å; I92-Q96 PolarHBondContact O-N 2.87Å; I92-I116 HydrophobicContact CG1-CG2 3.89Å; I92-I116 HydrophobicContact CG2-CD1 4.19Å; I92-I116 HydrophobicContact CG2-CG2 4.43Å; I92-C120 HydrophobicContact CG1-CB 4.24Å
93L77.4Confident73.6Confident101 Ų10165.4 Ų65.453%0.52936%0.357SS..Hα-helixtrans-61.2-47.3178.7-74170000111.5A89 K90 L95 Q96 D97A89-L93 WeakPolarHBondContact O-CB 3.5Å; A89-L93 WeakPolarHBondContact O-CG 3.39Å; A89-L93 PolarHBondContact O-N 3.14Å; K90-L93 PolarHBondContact O-N 2.76Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 3.42Å; L93-Q96 PolarHBondContact O-N 3.49Å; L93-Q96 VanDerWaalsContact O-N 3.13Å; L93-D97 PolarHBondContact O-N 3.41Å
94A78.8Confident72.6Confident48 Ų4869.6 Ų69.640%0.39738%0.382SS..Hα-helixtrans-59.9-41.5177.900000112.1K90 L91 D97 E98K90-A94 VanDerWaalsContact O-CB 3.31Å; K90-A94 WeakPolarHBondContact O-CB 3.39Å; K90-A94 PolarHBondContact O-N 3.23Å; L91-A94 PolarHBondContact O-N 2.92Å; A94-D97 PolarHBondContact O-N 2.76Å; A94-E98 WeakPolarHBondContact O-CG 3.2Å; A94-E98 PolarHBondContact O-N 3.44Å
95L75.1Confident71.4Confident10 Ų1071.3 Ų71.35%0.05240%0.404CS..Hα-helixtrans-67.6-36.3175.9-69.5175000112.8L91 I92 L93 E98 V99 I116 K119L91-L95 HydrophobicContact CD2-CD1 3.53Å; L91-L95 HydrophobicContact CD2-CG 4.38Å; L91-L95 HydrophobicContact CG-CD1 4.32Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 WeakPolarHBondContact O-CG 3.4Å; L91-L95 PolarHBondContact O-N 2.86Å; I92-L95 PolarHBondContact O-N 3.35Å; L93-L95 VanDerWaalsContact C-N 3.31Å; L93-L95 PolarHBondContact O-N 3.42Å; L95-E98 PolarHBondContact O-N 2.84Å; L95-V99 VanDerWaalsContact O-CG2 3.27Å; L95-V99 WeakPolarHBondContact O-CG2 3.47Å; L95-V99 PolarHBondContact O-N 3.03Å; L95-I116 HydrophobicContact CB-CG1 4.17Å; L95-I116 HydrophobicContact CD1-CG1 4.37Å; L95-K119 HydrophobicContact CD1-CB 3.64Å; L95-K119 HydrophobicContact CD1-CD 3.61Å; L95-K119 HydrophobicContact CD1-CG 4.24Å; L95-K119 HydrophobicContact CD2-CD 3.33Å; L95-K119 HydrophobicContact CG-CD 4.11Å
96Q72.8Confident70.2Confident89 Ų8978.3 Ų78.342%0.41644%0.442SS..Hα-helixtrans-68.1-38.4176.5-172.6167.2-2.800111.4I92 L93 S100I92-Q96 WeakPolarHBondContact O-CB 3.39Å; I92-Q96 PolarHBondContact O-N 2.87Å; L93-Q96 PolarHBondContact O-N 3.49Å; L93-Q96 VanDerWaalsContact O-N 3.13Å; Q96-S100 WeakPolarHBondContact O-CB 3.42Å; Q96-S100 PolarHBondContact O-N 3.35Å; Q96-S100 PolarHBondContact O-OG 3.05Å
97D76.8Confident68.7Low108 Ų10886 Ų8658%0.57848%0.477SS*.Hα-helixtrans-66.3-42.5174.3-68.9-19.6000111.3L93 A94 S100 A101L93-D97 PolarHBondContact O-N 3.41Å; A94-D97 PolarHBondContact O-N 2.76Å; D97-S100 PolarHBondContact O-N 3.2Å; D97-A101 WeakPolarHBondContact O-CB 3.5Å; D97-A101 PolarHBondContact O-N 3.11Å
98E75.2Confident67.4Low108 Ų10880.9 Ų80.951%0.50548%0.475SS..Hα-helixtrans-60-46.2174.2-77.5177.5-175.300112.2A94 L95 S100 A101 M102A94-E98 WeakPolarHBondContact O-CG 3.2Å; A94-E98 PolarHBondContact O-N 3.44Å; L95-E98 PolarHBondContact O-N 2.84Å; E98-S100 VanDerWaalsContact C-N 3.35Å; E98-A101 PolarHBondContact O-N 2.98Å; E98-M102 WeakPolarHBondContact O-CB 3.38Å; E98-M102 WeakPolarHBondContact O-CG 3.22Å; E98-M102 PolarHBondContact O-N 3.1Å
99V69.8Low65.9Low35 Ų3586.6 Ų86.621%0.21251%0.514CS..Hα-helixtrans-67.5-37.3178.41730000111.2L95 M102 A103 P112 H115L95-V99 VanDerWaalsContact O-CG2 3.27Å; L95-V99 WeakPolarHBondContact O-CG2 3.47Å; L95-V99 PolarHBondContact O-N 3.03Å; V99-M102 PolarHBondContact O-N 2.72Å; V99-A103 PolarHBondContact O-N 2.78Å; V99-P112 HydrophobicContact CG1-CB 4.14Å; V99-H115 HydrophobicContact CG2-CB 4.16Å
100S67.1Low64.7Low70 Ų7090.7 Ų90.749%0.4953%0.529SS..Hα-helixtrans-67.8-36.5176.3-56.50000111.8Q96 D97 E98Q96-S100 WeakPolarHBondContact O-CB 3.42Å; Q96-S100 PolarHBondContact O-N 3.35Å; Q96-S100 PolarHBondContact O-OG 3.05Å; D97-S100 PolarHBondContact O-N 3.2Å; E98-S100 VanDerWaalsContact C-N 3.35Å
101A66.9Low63.7Low73 Ų7389.6 Ų89.660%0.60353%0.53SS*.Hα-helixtrans-72.9-27.3175.600000113.4D97 E98D97-A101 WeakPolarHBondContact O-CB 3.5Å; D97-A101 PolarHBondContact O-N 3.11Å; E98-A101 PolarHBondContact O-N 2.98Å
102M61.7Low62.8Low149 Ų14988.6 Ų88.673%0.73453%0.528SS*.Hα-helixtrans-85.1-18176.6-68.8-75.6177.700113.3E98 V99 D104 G105E98-M102 WeakPolarHBondContact O-CB 3.38Å; E98-M102 WeakPolarHBondContact O-CG 3.22Å; E98-M102 PolarHBondContact O-N 3.1Å; V99-M102 PolarHBondContact O-N 2.72Å; M102-D104 PolarHBondContact O-N 2.93Å; M102-G105 PolarHBondContact O-N 2.87Å; M102-G105 VanDerWaalsContact O-N 3.13Å
103A55.9Low61.9Low73 Ų7393.2 Ų93.260%0.60355%0.546SS*.THydrogen-bonded Turntrans-66.8-13.4179.900000114.1V99 G105V99-A103 PolarHBondContact O-N 2.78Å; A103-G105 VanDerWaalsContact C-N 3.26Å; A103-G105 PolarHBondContact O-N 3.29Å
104D54.1Low61.1Low159 Ų15994.8 Ų94.885%0.8555%0.551SS**THydrogen-bonded Turntrans-79.1-5.1173.9-75.1-26.9000113.3M102M102-D104 PolarHBondContact O-N 2.93Å
105G51.7Low60.3Low52 Ų5295.9 Ų95.954%0.53655%0.547SS..SBendtrans-13584.1-174.700000114.8M102 A103 E107M102-G105 PolarHBondContact O-N 2.87Å; M102-G105 VanDerWaalsContact O-N 3.13Å; A103-G105 VanDerWaalsContact C-N 3.26Å; A103-G105 PolarHBondContact O-N 3.29Å; G105-E107 PolarHBondContact O-N 2.98Å
106N48.5Very low59.8Low160 Ų16096 Ų9686%0.85655%0.548SS*.SBendtrans7515.5145.5-16460000121.3
107E44.7Very low59.4Low167 Ų16794 Ų9478%0.7854%0.54SS*.  trans-131.6134.3164.3-67.9-165.2115.100111.4G105G105-E107 PolarHBondContact O-N 2.98Å
108G48.8Very low58.8Low57 Ų5792.5 Ų92.559%0.58854%0.536SS*.  trans-56.3177.4-176.300000113.7Q110G108-Q110 VanDerWaalsContact C-N 3.28Å; G108-Q110 PolarHBondContact O-N 2.89Å
109P45.3Very low58.3Low141 Ų14192.6 Ų92.692%0.91654%0.535SS*.  trans-65.879.1-162.829.4-36.3000112.6S111P109-S111 PolarHBondContact O-N 3.42Å
110Q52.5Low58.3Low115 Ų11590.9 Ų90.954%0.53753%0.525SS..  trans-73.1109166.4-72.1-139.6-1300106.6G108 H115G108-Q110 VanDerWaalsContact C-N 3.28Å; G108-Q110 PolarHBondContact O-N 2.89Å; Q110-H115 PolarHBondContact OE1-NE2 2.85Å
111S57.4Low58.6Low53 Ų5393.5 Ų93.537%0.37153%0.527SS..  trans-59.2128.3-177.154.30000109.2P109 F113 H114P109-S111 PolarHBondContact O-N 3.42Å; S111-F113 PolarHBondContact O-N 3.41Å; S111-H114 PolarHBondContact O-N 3.08Å; S111-H114 PolarHBondContact OG-CD2 3.38Å
112P61Low59Low42 Ų4290.8 Ų90.827%0.27350%0.502SS..Hα-helixtrans-54.4-25.7-174.117.3-31000112.9V99 H114 H115 I116V99-P112 HydrophobicContact CG1-CB 4.14Å; P112-H114 VanDerWaalsContact C-N 3.29Å; P112-H114 PolarHBondContact O-N 3.02Å; P112-H115 PolarHBondContact O-N 3.37Å; P112-I116 HydrophobicContact CB-CD1 4.41Å; P112-I116 WeakPolarHBondContact O-CD1 3.33Å; P112-I116 VanDerWaalsContact O-CG1 3.29Å; P112-I116 WeakPolarHBondContact O-CG1 3.48Å; P112-I116 PolarHBondContact O-N 3.32Å; P112-I116 VanDerWaalsContact O-N 3.13Å
113F59.2Low59.5Low148 Ų14884.9 Ų84.965%0.64948%0.477SS*.Hα-helixtrans-59.6-32.3174.4-63.1-74.7000114.2S111 H115 I116 L117S111-F113 PolarHBondContact O-N 3.41Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3.4Å; F113-I116 PolarHBondContact O-N 3.02Å; F113-L117 WeakPolarHBondContact O-CB 3.27Å; F113-L117 WeakPolarHBondContact O-CD1 3.45Å; F113-L117 VanDerWaalsContact O-CG 3.24Å; F113-L117 WeakPolarHBondContact O-CG 3.21Å; F113-L117 PolarHBondContact O-N 2.64Å; F113-L117 VanDerWaalsContact O-N 3.1Å
114H60.6Low60.4Low134 Ų13487.2 Ų87.262%0.6247%0.47SS*.Hα-helixtrans-68.1-31.3176.8-98.1-75.6000112.8S111 P112 P118S111-H114 PolarHBondContact O-N 3.08Å; S111-H114 PolarHBondContact OG-CD2 3.38Å; P112-H114 VanDerWaalsContact C-N 3.29Å; P112-H114 PolarHBondContact O-N 3.02Å; H114-P118 WeakPolarHBondContact O-CD 3.46Å
115H61.3Low61.3Low71 Ų7181.2 Ų81.233%0.32944%0.438SS..Hα-helixtrans-83.3-28.6177.2-73.4-75.3000112.9V99 Q110 P112 F113 P118V99-H115 HydrophobicContact CG2-CB 4.16Å; Q110-H115 PolarHBondContact OE1-NE2 2.85Å; P112-H115 PolarHBondContact O-N 3.37Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3.4Å; H115-P118 WeakPolarHBondContact O-CD 3.32Å; H115-P118 WeakPolarHBondContact O-CG 3.45Å
116I65.2Low62.5Low12 Ų1282 Ų826%0.06243%0.429CS..Hα-helixtrans-75.8-42.1179-66.2161.1000111.8I92 L95 P112 F113 K119 C120 A123I92-I116 HydrophobicContact CG1-CG2 3.89Å; I92-I116 HydrophobicContact CG2-CD1 4.19Å; I92-I116 HydrophobicContact CG2-CG2 4.43Å; L95-I116 HydrophobicContact CB-CG1 4.17Å; L95-I116 HydrophobicContact CD1-CG1 4.37Å; P112-I116 HydrophobicContact CB-CD1 4.41Å; P112-I116 WeakPolarHBondContact O-CD1 3.33Å; P112-I116 VanDerWaalsContact O-CG1 3.29Å; P112-I116 WeakPolarHBondContact O-CG1 3.48Å; P112-I116 PolarHBondContact O-N 3.32Å; P112-I116 VanDerWaalsContact O-N 3.13Å; F113-I116 PolarHBondContact O-N 3.02Å; I116-K119 PolarHBondContact O-N 3.37Å; I116-K119 VanDerWaalsContact O-N 3.12Å; I116-C120 HydrophobicContact CG2-CB 3.95Å; I116-C120 WeakPolarHBondContact O-CB 3.17Å; I116-C120 PolarHBondContact O-N 3.36Å; I116-A123 HydrophobicContact CG2-CB 4.4Å
117L64.1Low63.7Low46 Ų4679.3 Ų79.324%0.24141%0.41CS..Hα-helixtrans-53.3-42.8-178.7-80.9168.8000116F113 A123 K127F113-L117 WeakPolarHBondContact O-CB 3.27Å; F113-L117 WeakPolarHBondContact O-CD1 3.45Å; F113-L117 VanDerWaalsContact O-CG 3.24Å; F113-L117 WeakPolarHBondContact O-CG 3.21Å; F113-L117 PolarHBondContact O-N 2.64Å; F113-L117 VanDerWaalsContact O-N 3.1Å; L117-A123 HydrophobicContact CD2-CB 4.23Å; L117-K127 HydrophobicContact CD1-CD 4.12Å; L117-K127 HydrophobicContact CD2-CB 4.04Å; L117-K127 HydrophobicContact CD2-CD 3.8Å; L117-K127 HydrophobicContact CD2-CG 4.48Å
118P63.6Low65Low77 Ų7776.9 Ų76.950%0.540%0.399SS..Hα-helixtrans-74-26.7178.626-33.7000112.9H114 H115 R124H114-P118 WeakPolarHBondContact O-CD 3.46Å; H115-P118 WeakPolarHBondContact O-CD 3.32Å; H115-P118 WeakPolarHBondContact O-CG 3.45Å; P118-R124 PolarHBondContact O-NH2 3.43Å
119K64.8Low65.9Low110 Ų11074.8 Ų74.848%0.47838%0.376SS..Hα-helixtrans-96.1-29.5-172.9-66.4-178179.3178.40113.6L91 L95 I116L91-K119 HydrophobicContact CD2-CB 4.17Å; L95-K119 HydrophobicContact CD1-CB 3.64Å; L95-K119 HydrophobicContact CD1-CD 3.61Å; L95-K119 HydrophobicContact CD1-CG 4.24Å; L95-K119 HydrophobicContact CD2-CD 3.33Å; L95-K119 HydrophobicContact CG-CD 4.11Å; I116-K119 PolarHBondContact O-N 3.37Å; I116-K119 VanDerWaalsContact O-N 3.12Å
120C69.6Low67.1Low0 Ų074.3 Ų74.30%036%0.357CS..  trans-96.3116179.6178.50000110.5E88 L91 I92 I116 A123 R124E88-C120 WeakPolarHBondContact OE2-CA 3.1Å; E88-C120 PolarHBondContact OE2-SG 3.43Å; L91-C120 HydrophobicContact CD2-CB 4.09Å; I92-C120 HydrophobicContact CG1-CB 4.24Å; I116-C120 HydrophobicContact CG2-CB 3.95Å; I116-C120 WeakPolarHBondContact O-CB 3.17Å; I116-C120 PolarHBondContact O-N 3.36Å; C120-A123 HydrophobicContact CB-CB 3.75Å; C120-A123 PolarHBondContact O-N 3.28Å; C120-A123 VanDerWaalsContact SG-CB 3.59Å; C120-A123 PolarHBondContact SG-N 3.36Å; C120-R124 PolarHBondContact O-N 2.73Å
121K74.4Confident68Low125 Ų12572.3 Ų72.354%0.54335%0.35SS..Hα-helixtrans-66.4-43.7179.6-72.8-176.4-179.7-178.50110.6Y84 E88 A123 R124 D125Y84-K121 WeakPolarHBondContact OH-CB 3.46Å; E88-K121 PolarHBondContact OE2-N 2.81Å; E88-K121 VanDerWaalsContact OE2-N 3.07Å; K121-A123 VanDerWaalsContact C-N 3.3Å; K121-A123 PolarHBondContact O-N 2.89Å; K121-R124 WeakPolarHBondContact O-CB 3.35Å; K121-R124 PolarHBondContact O-N 3.45Å; K121-R124 VanDerWaalsContact O-N 3.11Å; K121-D125 PolarHBondContact O-N 2.94Å
122L75.3Confident68.4Low16 Ų1671.4 Ų71.48%0.08434%0.344CS..Hα-helixtrans-58.6-40.8177.5179.761.1000112.3L75 Y84 E88 R124 D125 L126L75-L122 HydrophobicContact CD2-CD1 3.82Å; L75-L122 HydrophobicContact CD2-CD2 4.39Å; Y84-L122 HydrophobicContact CE1-CB 4.09Å; Y84-L122 HydrophobicContact CE1-CD1 4.37Å; Y84-L122 PolarHBondContact OH-N 2.87Å; E88-L122 HydrophobicContact CB-CB 4.45Å; E88-L122 HydrophobicContact CG-CB 4.19Å; L122-R124 VanDerWaalsContact C-N 3.33Å; L122-R124 PolarHBondContact O-N 3.13Å; L122-D125 PolarHBondContact O-N 3.3Å; L122-L126 HydrophobicContact CD1-CD1 4.16Å; L122-L126 HydrophobicContact CD1-CG 4.18Å; L122-L126 HydrophobicContact CG-CD1 4.09Å; L122-L126 WeakPolarHBondContact O-CB 3.36Å; L122-L126 VanDerWaalsContact O-CG 3.26Å; L122-L126 WeakPolarHBondContact O-CG 3.32Å; L122-L126 PolarHBondContact O-N 2.82Å
123A71.3Confident68.7Low24 Ų2470.4 Ų70.420%0.19834%0.336CS..Hα-helixtrans-66.1-36.9178.400000112I116 L117 C120 K121 K127I116-A123 HydrophobicContact CG2-CB 4.4Å; L117-A123 HydrophobicContact CD2-CB 4.23Å; C120-A123 HydrophobicContact CB-CB 3.75Å; C120-A123 PolarHBondContact O-N 3.28Å; C120-A123 VanDerWaalsContact SG-CB 3.59Å; C120-A123 PolarHBondContact SG-N 3.36Å; K121-A123 VanDerWaalsContact C-N 3.3Å; K121-A123 PolarHBondContact O-N 2.89Å; A123-K127 WeakPolarHBondContact O-CB 3.42Å; A123-K127 PolarHBondContact O-N 2.9Å
124R75.1Confident68.9Low122 Ų12266.3 Ų66.346%0.4633%0.325SS..Hα-helixtrans-66.7-47.7175.2-168.5-174.6-55.8165.82.3111.4P118 C120 K121 L122 L126 K127 E128P118-R124 PolarHBondContact O-NH2 3.43Å; C120-R124 PolarHBondContact O-N 2.73Å; K121-R124 WeakPolarHBondContact O-CB 3.35Å; K121-R124 PolarHBondContact O-N 3.45Å; K121-R124 VanDerWaalsContact O-N 3.11Å; L122-R124 VanDerWaalsContact C-N 3.33Å; L122-R124 PolarHBondContact O-N 3.13Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 2.88Å; R124-K127 WeakPolarHBondContact O-CB 3.5Å; R124-K127 PolarHBondContact O-N 3.05Å; R124-K127 VanDerWaalsContact O-N 3.16Å; R124-E128 PolarHBondContact O-N 3.07Å
125D73.6Confident69Low33 Ų3365.3 Ų65.318%0.17633%0.328CS..Hα-helixtrans-61.4-41.3179.5-60-16.8000111.1K121 L122 A129 L141K121-D125 PolarHBondContact O-N 2.94Å; L122-D125 PolarHBondContact O-N 3.3Å; D125-A129 VanDerWaalsContact O-CB 3.31Å; D125-A129 WeakPolarHBondContact O-CB 3.49Å; D125-A129 PolarHBondContact O-N 3.45Å; D125-L141 HydrophobicContact CB-CD2 4Å
126L75.4Confident68.8Low68 Ų6865 Ų6536%0.35633%0.334SS..Hα-helixtrans-67.8-36.8175.8-71.7175.1000112.6L122 R124 Y130 L141L122-L126 HydrophobicContact CD1-CD1 4.16Å; L122-L126 HydrophobicContact CD1-CG 4.18Å; L122-L126 HydrophobicContact CG-CD1 4.09Å; L122-L126 WeakPolarHBondContact O-CB 3.36Å; L122-L126 VanDerWaalsContact O-CG 3.26Å; L122-L126 WeakPolarHBondContact O-CG 3.32Å; L122-L126 PolarHBondContact O-N 2.82Å; R124-L126 VanDerWaalsContact C-N 3.31Å; R124-L126 PolarHBondContact O-N 2.88Å; L126-Y130 PolarHBondContact O-N 3.13Å; L126-L141 HydrophobicContact CD2-CD1 4.44Å
127K73.8Confident68.4Low104 Ų10464.4 Ų64.445%0.45233%0.331SS..Hα-helixtrans-65.2-49.1174.7-180-175.7173.3-171.70110.8L117 A123 R124 A129 Y130 D131L117-K127 HydrophobicContact CD1-CD 4.12Å; L117-K127 HydrophobicContact CD2-CB 4.04Å; L117-K127 HydrophobicContact CD2-CD 3.8Å; L117-K127 HydrophobicContact CD2-CG 4.48Å; A123-K127 WeakPolarHBondContact O-CB 3.42Å; A123-K127 PolarHBondContact O-N 2.9Å; R124-K127 WeakPolarHBondContact O-CB 3.5Å; R124-K127 PolarHBondContact O-N 3.05Å; R124-K127 VanDerWaalsContact O-N 3.16Å; K127-A129 VanDerWaalsContact C-N 3.25Å; K127-A129 PolarHBondContact O-N 3.36Å; K127-Y130 WeakPolarHBondContact O-CB 3.47Å; K127-Y130 PolarHBondContact O-N 3.05Å; K127-D131 WeakPolarHBondContact CE-OD2 3.45Å; K127-D131 PolarHBondContact O-N 2.83Å
128E72.1Confident67.9Low117 Ų11764.1 Ų64.155%0.54733%0.331SS..Hα-helixtrans-60.9-38.3178.5-174.7174.8175.800111.4R124 Y130 D131 S132R124-E128 PolarHBondContact O-N 3.07Å; E128-Y130 VanDerWaalsContact C-N 3.35Å; E128-Y130 PolarHBondContact O-N 2.92Å; E128-D131 PolarHBondContact O-N 3.1Å; E128-S132 WeakPolarHBondContact O-CB 3.48Å; E128-S132 PolarHBondContact O-N 2.78Å; E128-S132 PolarHBondContact O-OG 3.2Å
129A69.1Low67.5Low12 Ų1260.5 Ų60.510%0.09931%0.307CS..Hα-helixtrans-62.1-41172.900000112.8D125 K127 L133 V139 L141D125-A129 VanDerWaalsContact O-CB 3.31Å; D125-A129 WeakPolarHBondContact O-CB 3.49Å; D125-A129 PolarHBondContact O-N 3.45Å; K127-A129 VanDerWaalsContact C-N 3.25Å; K127-A129 PolarHBondContact O-N 3.36Å; A129-L133 WeakPolarHBondContact O-CB 3Å; A129-L133 PolarHBondContact O-N 2.68Å; A129-V139 HydrophobicContact CB-CG1 3.79Å; A129-V139 WeakPolarHBondContact O-CG2 3.03Å; A129-L141 HydrophobicContact CB-CB 4.35Å; A129-L141 HydrophobicContact CB-CD1 3.35Å; A129-L141 HydrophobicContact CB-CG 3.79Å
130Y69.3Low66.9Low132 Ų13260.7 Ų60.752%0.51831%0.305SS..Hα-helixtrans-67.9-44.8176-179-94.4000112L126 K127 E128 S132 L133 C134L126-Y130 PolarHBondContact O-N 3.13Å; K127-Y130 WeakPolarHBondContact O-CB 3.47Å; K127-Y130 PolarHBondContact O-N 3.05Å; E128-Y130 VanDerWaalsContact C-N 3.35Å; E128-Y130 PolarHBondContact O-N 2.92Å; Y130-S132 VanDerWaalsContact C-N 3.32Å; Y130-S132 PolarHBondContact O-N 3.36Å; Y130-L133 WeakPolarHBondContact O-CB 3.36Å; Y130-L133 PolarHBondContact O-N 3.09Å; Y130-C134 VanDerWaalsContact CE1-SG 3.57Å; Y130-C134 VanDerWaalsContact CZ-SG 3.53Å; Y130-C134 WeakPolarHBondContact O-CB 3.48Å; Y130-C134 PolarHBondContact O-N 2.97Å; Y130-C134 PolarHBondContact O-SG 3.42Å
131D71.3Confident66.1Low72 Ų7261 Ų6139%0.38531%0.307SS..Hα-helixtrans-65.1-38.8179.1-69.9-20.1000110.8K127 E128 C134 T135K127-D131 WeakPolarHBondContact CE-OD2 3.45Å; K127-D131 PolarHBondContact O-N 2.83Å; E128-D131 PolarHBondContact O-N 3.1Å; D131-C134 PolarHBondContact O-N 3.16Å; D131-T135 VanDerWaalsContact O-CB 3.27Å; D131-T135 WeakPolarHBondContact O-CB 3.31Å; D131-T135 PolarHBondContact O-N 3.08Å; D131-T135 PolarHBondContact O-OG1 3.14Å
132S65.8Low65.1Low35 Ų3559.1 Ų59.125%0.24530%0.3CS..Hα-helixtrans-64.8-43.6173.2-60.60000111.8E128 Y130 C134 T135 S136 G137 V138E128-S132 WeakPolarHBondContact O-CB 3.48Å; E128-S132 PolarHBondContact O-N 2.78Å; E128-S132 PolarHBondContact O-OG 3.2Å; Y130-S132 VanDerWaalsContact C-N 3.32Å; Y130-S132 PolarHBondContact O-N 3.36Å; S132-C134 VanDerWaalsContact C-N 3.31Å; S132-C134 PolarHBondContact O-N 3.19Å; S132-T135 PolarHBondContact O-N 3.25Å; S132-S136 PolarHBondContact O-N 3.27Å; S132-S136 PolarHBondContact O-OG 3.07Å; S132-G137 PolarHBondContact O-N 3.45Å; S132-G137 VanDerWaalsContact O-N 3.14Å; S132-V138 WeakPolarHBondContact CB-O 3.41Å
133L67.2Low64.2Low21 Ų2158.4 Ų58.411%0.1130%0.296CS..Hα-helixtrans-57.6-45.2173.9-179.567.6000111.6L64 A129 Y130 G137 V139 L153L64-L133 HydrophobicContact CD2-CD1 4.34Å; L64-L133 HydrophobicContact CD2-CD2 3.85Å; A129-L133 WeakPolarHBondContact O-CB 3Å; A129-L133 PolarHBondContact O-N 2.68Å; Y130-L133 WeakPolarHBondContact O-CB 3.36Å; Y130-L133 PolarHBondContact O-N 3.09Å; L133-G137 WeakPolarHBondContact O-CA 3.1Å; L133-G137 PolarHBondContact O-N 3.14Å; L133-V139 HydrophobicContact CB-CG2 3.57Å; L133-V139 HydrophobicContact CD1-CG2 3.78Å; L133-V139 HydrophobicContact CG-CG2 4.28Å; L133-L153 HydrophobicContact CD1-CD1 3.04Å; L133-L153 HydrophobicContact CD1-CD2 3.76Å; L133-L153 HydrophobicContact CD1-CG 4Å
134C63.8Low63.3Low61 Ų6160 Ų6041%0.41230%0.301SS..Hα-helixtrans-71.7-34.3-179.7-76.90000112.9Y130 D131 S132 K156Y130-C134 VanDerWaalsContact CE1-SG 3.57Å; Y130-C134 VanDerWaalsContact CZ-SG 3.53Å; Y130-C134 WeakPolarHBondContact O-CB 3.48Å; Y130-C134 PolarHBondContact O-N 2.97Å; Y130-C134 PolarHBondContact O-SG 3.42Å; D131-C134 PolarHBondContact O-N 3.16Å; S132-C134 VanDerWaalsContact C-N 3.31Å; S132-C134 PolarHBondContact O-N 3.19Å; C134-K156 PolarHBondContact O-NZ 2.84Å
135T62.8Low62.1Low113 Ų11359.7 Ų59.769%0.69332%0.318SS*.Hα-helixtrans-87.4-66.3-175-52.30000111D131 S132 K156D131-T135 VanDerWaalsContact O-CB 3.27Å; D131-T135 WeakPolarHBondContact O-CB 3.31Å; D131-T135 PolarHBondContact O-N 3.08Å; D131-T135 PolarHBondContact O-OG1 3.14Å; S132-T135 PolarHBondContact O-N 3.25Å; T135-K156 PolarHBondContact O-NZ 3.22Å
136S57Low60.7Low64 Ų6464.9 Ų64.945%0.44834%0.335SS..THydrogen-bonded Turntrans-93.1-24.8-172.668.40000113.2S132 V138S132-S136 PolarHBondContact O-N 3.27Å; S132-S136 PolarHBondContact O-OG 3.07Å; S136-V138 PolarHBondContact O-N 3.42Å; S136-V138 PolarHBondContact OG-N 3.07Å; S136-V138 PolarHBondContact OG-O 2.84Å
137G56.2Low59.1Low0 Ų065.2 Ų65.20%034%0.337CS..SBendtrans73.43.8-168.700000113.6S132 L133 L153S132-G137 PolarHBondContact O-N 3.45Å; S132-G137 VanDerWaalsContact O-N 3.14Å; L133-G137 WeakPolarHBondContact O-CA 3.1Å; L133-G137 PolarHBondContact O-N 3.14Å; G137-L153 WeakPolarHBondContact O-CB 3.05Å; G137-L153 PolarHBondContact O-N 2.91Å
138V54.5Low57.8Low40 Ų4063.4 Ų63.424%0.24233%0.33CS..EExtended strand (participates in β ladder)trans-106.9122.4168.1-177.60000107.3S132 S136 R140 I157S132-V138 WeakPolarHBondContact CB-O 3.41Å; S136-V138 PolarHBondContact O-N 3.42Å; S136-V138 PolarHBondContact OG-N 3.07Å; S136-V138 PolarHBondContact OG-O 2.84Å; V138-R140 HydrophobicContact CG1-CG 4.4Å; V138-I157 HydrophobicContact CB-CD1 4.38Å; V138-I157 HydrophobicContact CG2-CD1 3.35Å; V138-I157 HydrophobicContact CG2-CG1 3.62Å
139V54.4Low56.7Low1 Ų158.1 Ų58.11%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-107.7109.5172.6179.90000107.5A129 L133 L141 S150 F151A129-V139 HydrophobicContact CB-CG1 3.79Å; A129-V139 WeakPolarHBondContact O-CG2 3.03Å; L133-V139 HydrophobicContact CB-CG2 3.57Å; L133-V139 HydrophobicContact CD1-CG2 3.78Å; L133-V139 HydrophobicContact CG-CG2 4.28Å; V139-L141 HydrophobicContact CG1-CB 4.09Å; V139-S150 CarbonylContact O-C 3.55Å; V139-S150 WeakPolarHBondContact O-CA 3.36Å; V139-F151 HydrophobicContact CB-CB 4.33Å; V139-F151 PolarHBondContact N-O 2.93Å; V139-F151 PolarHBondContact O-N 2.84Å
140R52.6Low55.7Low114 Ų11460.8 Ų60.843%0.4332%0.323SS..EExtended strand (participates in β ladder)trans-105.6100.5163.8-79.2-173.1-102.6-170.6-8107V138 E148 E195V138-R140 HydrophobicContact CG1-CG 4.4Å; R140-E148 VanDerWaalsContact CD-OE1 3.31Å; R140-E148 WeakPolarHBondContact CD-OE1 3.33Å; R140-E195 PolarHBondContact NH1-O 2.72Å; R140-E195 PolarHBondContact NH2-O 2.68Å; R140-E195 VanDerWaalsContact NH2-O 3.11Å
141L53.8Low55Low6 Ų655.5 Ų55.53%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-107.7118.5-176.5-157.5179.1000109.3I71 D125 L126 A129 V139 I143 V149I71-L141 HydrophobicContact CD1-CD1 4.28Å; D125-L141 HydrophobicContact CB-CD2 4Å; L126-L141 HydrophobicContact CD2-CD1 4.44Å; A129-L141 HydrophobicContact CB-CB 4.35Å; A129-L141 HydrophobicContact CB-CD1 3.35Å; A129-L141 HydrophobicContact CB-CG 3.79Å; V139-L141 HydrophobicContact CG1-CB 4.09Å; L141-I143 HydrophobicContact CD2-CB 4.36Å; L141-I143 HydrophobicContact CD2-CD1 4.28Å; L141-I143 HydrophobicContact CD2-CG1 3.34Å; L141-V149 HydrophobicContact CB-CB 4.49Å; L141-V149 PolarHBondContact N-O 3.35Å; L141-V149 PolarHBondContact O-N 2.8Å
142H53.4Low53.9Low87 Ų8755.3 Ų55.340%0.40331%0.306SS..EExtended strand (participates in β ladder)trans-96.196.3172.1-68.397.6000109.8N144 E148H142-N144 PolarHBondContact O-N 2.95Å; H142-E148 WeakPolarHBondContact NE2-CG 3.42Å
143I56Low53.3Low1 Ų154.4 Ų54.41%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-75.9117.8174.1-53.7-173.7000107.9I71 V74 L75 E78 Y84 L141 S145 W146 L147I71-I143 HydrophobicContact CG2-CD1 3.97Å; V74-I143 HydrophobicContact CB-CD1 4.07Å; V74-I143 HydrophobicContact CG1-CB 3.76Å; V74-I143 HydrophobicContact CG1-CD1 3.79Å; V74-I143 HydrophobicContact CG1-CG1 4.12Å; V74-I143 HydrophobicContact CG1-CG2 4.16Å; L75-I143 HydrophobicContact CD2-CD1 4.31Å; L75-I143 HydrophobicContact CD2-CG2 4.1Å; L75-I143 HydrophobicContact CG-CD1 4.2Å; E78-I143 HydrophobicContact CG-CG2 4.5Å; Y84-I143 HydrophobicContact CE1-CG2 4.48Å; L141-I143 HydrophobicContact CD2-CB 4.36Å; L141-I143 HydrophobicContact CD2-CD1 4.28Å; L141-I143 HydrophobicContact CD2-CG1 3.34Å; I143-S145 PolarHBondContact O-N 3.03Å; I143-W146 PolarHBondContact O-N 3Å; I143-L147 PolarHBondContact N-O 3.44Å
144N51.7Low52.5Low57 Ų5755 Ų5531%0.30530%0.304SS..THydrogen-bonded Turntrans55.831.3178.2-162.827.1000114.5E78 H142 W146E78-N144 PolarHBondContact OE2-ND2 3Å; H142-N144 PolarHBondContact O-N 2.95Å; N144-W146 PolarHBondContact O-N 3.49Å
145S51.2Low51.8Low115 Ų11555.5 Ų55.580%0.80430%0.3SS*.THydrogen-bonded Turntrans53.919.6177.6-53.50000115.2I143I143-S145 PolarHBondContact O-N 3.03Å
146W42.6Very low51Low143 Ų14354.4 Ų54.454%0.54229%0.286SS..THydrogen-bonded Turntrans-124.2-23.1-175.4-156.664.3000113.7H77 R81 I143 N144H77-W146 AromaticContact CE1-CZ3 3.36Å; H77-W146 WeakPolarHBondContact CE1-CZ3 3.44Å; H77-W146 AromaticContact ND1-CZ3 3.83Å; R81-W146 VanDerWaalsContact NH1-CE2 3.26Å; I143-W146 PolarHBondContact O-N 3Å; N144-W146 PolarHBondContact O-N 3.49Å
147L43Very low50.6Low75 Ų7553.5 Ų53.539%0.39328%0.275SS..EExtended strand (participates in β ladder)trans-137.6113.1177.2-165.357.4000111.3V74 I143V74-L147 HydrophobicContact CB-CD2 3.98Å; V74-L147 HydrophobicContact CG1-CB 4.04Å; V74-L147 HydrophobicContact CG1-CD2 3.82Å; V74-L147 HydrophobicContact CG1-CG 4.31Å; V74-L147 HydrophobicContact CG2-CD2 3.33Å; V74-L147 HydrophobicContact CG2-CG 3.97Å; I143-L147 PolarHBondContact N-O 3.44Å
148E45.7Very low50.3Low66 Ų6656.3 Ų56.331%0.30829%0.288SS..EExtended strand (participates in β ladder)trans-78.2117.3174.5-170.7-178.1-175.300109.9R140 H142R140-E148 VanDerWaalsContact CD-OE1 3.31Å; R140-E148 WeakPolarHBondContact CD-OE1 3.33Å; H142-E148 WeakPolarHBondContact NE2-CG 3.42Å
149V50Low49.7Very low6 Ų663.7 Ų63.74%0.03631%0.313CS..EExtended strand (participates in β ladder)trans-97.290.1164.4-175.90000107L67 R70 V74 L141L67-V149 HydrophobicContact CD1-CG1 3.79Å; R70-V149 HydrophobicContact CB-CG1 4.03Å; V74-V149 HydrophobicContact CG2-CG2 3.58Å; L141-V149 HydrophobicContact CB-CB 4.49Å; L141-V149 PolarHBondContact N-O 3.35Å; L141-V149 PolarHBondContact O-N 2.8Å
150S47.9Very low49Very low67 Ų6767.9 Ų67.947%0.46935%0.348SS..EExtended strand (participates in β ladder)trans-81.4123.516756.40000109.5V139V139-S150 CarbonylContact O-C 3.55Å; V139-S150 WeakPolarHBondContact O-CA 3.36Å
151F53.5Low48.7Very low22 Ų2265.3 Ų65.310%0.09635%0.351CS..EExtended strand (participates in β ladder)trans-140.1120.6-179.2-170.2-96.8000110.2C63 N66 L67 V139 L153C63-F151 HydrophobicContact CB-CE1 4Å; C63-F151 HydrophobicContact CB-CZ 3.53Å; C63-F151 WeakPolarHBondContact O-CE2 3.25Å; C63-F151 WeakPolarHBondContact O-CZ 3.44Å; N66-F151 HydrophobicContact CB-CE2 4.38Å; L67-F151 HydrophobicContact CB-CD1 4.04Å; L67-F151 HydrophobicContact CB-CD2 4.05Å; L67-F151 HydrophobicContact CB-CE1 4.18Å; L67-F151 HydrophobicContact CB-CE2 4.21Å; L67-F151 HydrophobicContact CB-CG 3.99Å; L67-F151 HydrophobicContact CB-CZ 4.3Å; L67-F151 HydrophobicContact CD1-CB 3.68Å; L67-F151 HydrophobicContact CD1-CD1 4.34Å; L67-F151 HydrophobicContact CD1-CD2 4.31Å; L67-F151 HydrophobicContact CD1-CG 3.84Å; L67-F151 HydrophobicContact CD2-CD1 3.9Å; L67-F151 HydrophobicContact CD2-CE1 4.49Å; L67-F151 HydrophobicContact CD2-CG 4.25Å; L67-F151 HydrophobicContact CG-CD1 4.31Å; L67-F151 HydrophobicContact CG-CG 4.24Å; V139-F151 HydrophobicContact CB-CB 4.33Å; V139-F151 PolarHBondContact N-O 2.93Å; V139-F151 PolarHBondContact O-N 2.84Å; F151-L153 HydrophobicContact CD1-CD1 3.66Å; F151-L153 HydrophobicContact CE1-CD1 3.43Å; F151-L153 VanDerWaalsContact CE1-CD1 3.43Å; F151-L153 HydrophobicContact CE1-CG 4.14Å
152C48.2Very low48.3Very low67 Ų6770.9 Ų70.945%0.45339%0.391SS..EExtended strand (participates in β ladder)trans-105.5130.3178-71.40000108.1P154 I157C152-P154 WeakPolarHBondContact O-CD 3.36Å; C152-I157 HydrophobicContact CB-CD1 3.31Å
153L54.4Low47.9Very low17 Ų1769.9 Ų69.99%0.08939%0.393CS..  trans-82105.8164.6-86.872.9000106.6V60 L133 G137 F151 H155 K156 I157V60-L153 HydrophobicContact CG1-CD2 4.08Å; L133-L153 HydrophobicContact CD1-CD1 3.04Å; L133-L153 HydrophobicContact CD1-CD2 3.76Å; L133-L153 HydrophobicContact CD1-CG 4Å; G137-L153 WeakPolarHBondContact O-CB 3.05Å; G137-L153 PolarHBondContact O-N 2.91Å; F151-L153 HydrophobicContact CD1-CD1 3.66Å; F151-L153 HydrophobicContact CE1-CD1 3.43Å; F151-L153 VanDerWaalsContact CE1-CD1 3.43Å; F151-L153 HydrophobicContact CE1-CG 4.14Å; L153-H155 PolarHBondContact O-N 3.38Å; L153-K156 HydrophobicContact CB-CB 4.5Å; L153-K156 PolarHBondContact O-N 2.97Å; L153-I157 WeakPolarHBondContact O-CD1 3.42Å; L153-I157 PolarHBondContact O-N 2.99Å
154P50.6Low47.5Very low33 Ų3377.7 Ų77.721%0.21443%0.434CS..Hα-helixtrans-58.3-33-177-19.933.6000110.4C152 K156 H158 P167C152-P154 WeakPolarHBondContact O-CD 3.36Å; P154-K156 VanDerWaalsContact C-N 3.29Å; P154-K156 PolarHBondContact O-N 3.34Å; P154-H158 VanDerWaalsContact O-CB 3.32Å; P154-H158 WeakPolarHBondContact O-CB 3.29Å; P154-H158 PolarHBondContact O-CD2 3.02Å; P154-H158 PolarHBondContact O-N 3.32Å; P154-H158 VanDerWaalsContact O-N 3.08Å; P154-P167 HydrophobicContact CB-CB 3.83Å; P154-P167 HydrophobicContact CG-CB 4.18Å
155H48.9Very low47.4Very low71 Ų7178.6 Ų78.633%0.32944%0.438SS..Hα-helixtrans-64.8-25.9-177.7-125.2155.3000114.6D57 V60 L153 Y159D57-H155 IonicContact OD2-CE1 3.46Å; D57-H155 PolarHBondContact OD2-CE1 3.15Å; D57-H155 IonicContact OD2-ND1 3.94Å; V60-H155 HydrophobicContact CG2-CB 4.07Å; L153-H155 PolarHBondContact O-N 3.38Å; H155-Y159 WeakPolarHBondContact O-CB 3.25Å
156K45.8Very low47.3Very low91 Ų9176.6 Ų76.640%0.39642%0.423SS..Hα-helixtrans-99.7-37.9-178.8-130.6-165.8175-152.30112.2C134 T135 L153 P154 Y159 A160C134-K156 PolarHBondContact O-NZ 2.84Å; T135-K156 PolarHBondContact O-NZ 3.22Å; L153-K156 HydrophobicContact CB-CB 4.5Å; L153-K156 PolarHBondContact O-N 2.97Å; P154-K156 VanDerWaalsContact C-N 3.29Å; P154-K156 PolarHBondContact O-N 3.34Å; K156-Y159 PolarHBondContact O-N 2.9Å; K156-A160 PolarHBondContact O-N 3.09Å
157I49.1Very low47.7Very low45 Ų4571.1 Ų71.123%0.23141%0.406CS..Hα-helixtrans-70.7-39.1-179.2-62.1156.5000110.7V138 C152 L153 A160 A161V138-I157 HydrophobicContact CB-CD1 4.38Å; V138-I157 HydrophobicContact CG2-CD1 3.35Å; V138-I157 HydrophobicContact CG2-CG1 3.62Å; C152-I157 HydrophobicContact CB-CD1 3.31Å; L153-I157 WeakPolarHBondContact O-CD1 3.42Å; L153-I157 PolarHBondContact O-N 2.99Å; I157-A160 PolarHBondContact O-N 2.82Å; I157-A161 WeakPolarHBondContact O-CB 3.3Å; I157-A161 PolarHBondContact O-N 2.91Å; I157-A161 VanDerWaalsContact O-N 3.09Å
158H49.6Very low48.1Very low59 Ų5973.6 Ų73.627%0.27342%0.415SS..Hα-helixtrans-81.1-18.4176.6-64.5-65.3000113.6P154 I170P154-H158 VanDerWaalsContact O-CB 3.32Å; P154-H158 WeakPolarHBondContact O-CB 3.29Å; P154-H158 PolarHBondContact O-CD2 3.02Å; P154-H158 PolarHBondContact O-N 3.32Å; P154-H158 VanDerWaalsContact O-N 3.08Å; H158-I170 WeakPolarHBondContact NE2-CD1 3.28Å
159Y41.3Very low48.4Very low194 Ų19472.1 Ų72.176%0.76141%0.414SS*.Hα-helixtrans-72.2-33.3169.1-137.4-87.3000111.6H155 K156H155-Y159 WeakPolarHBondContact O-CB 3.25Å; K156-Y159 PolarHBondContact O-N 2.9Å
160A40.7Very low48.8Very low89 Ų8973.8 Ų73.874%0.73642%0.422SS*.Hα-helixtrans-75.5-34173.900000112.4K156 I157 S162K156-A160 PolarHBondContact O-N 3.09Å; I157-A160 PolarHBondContact O-N 2.82Å; A160-S162 VanDerWaalsContact C-N 3.33Å; A160-S162 PolarHBondContact O-N 2.77Å
161A45.6Very low49.2Very low61 Ų6176.1 Ų76.150%0.50443%0.426SS..THydrogen-bonded Turntrans-89.153.8179.800000113.3I157 S163I157-A161 WeakPolarHBondContact O-CB 3.3Å; I157-A161 PolarHBondContact O-N 2.91Å; I157-A161 VanDerWaalsContact O-N 3.09Å; A161-S163 PolarHBondContact O-N 3.16Å
162S46Very low49.3Very low123 Ų12383 Ų8386%0.8645%0.451SS*.THydrogen-bonded Turntrans45.312.4157.5-159.80000120.7A160A160-S162 VanDerWaalsContact C-N 3.33Å; A160-S162 PolarHBondContact O-N 2.77Å
163S44.4Very low49.6Very low65 Ų6582.6 Ų82.646%0.45545%0.449SS..SBendtrans-152.3120-179.3-179.30000110.3A161 I165A161-S163 PolarHBondContact O-N 3.16Å; S163-I165 PolarHBondContact O-N 3.46Å
164L46.5Very low49.9Very low165 Ų16587.1 Ų87.186%0.86447%0.473SS*.  trans-65.174.3176.5-8183.5000111P166L164-P166 WeakPolarHBondContact O-CD 3.34Å
165I49.8Very low50.3Low76 Ų7693.7 Ų93.739%0.3950%0.498SS..  trans-92.5111.6171.3-52.8178.5000107.5S163 A169 I170S163-I165 PolarHBondContact O-N 3.46Å; I165-A169 HydrophobicContact CG2-CB 4.11Å; I165-I170 HydrophobicContact CG2-CD1 4.14Å; I165-I170 HydrophobicContact CG2-CG1 3.69Å
166P50.4Low50.8Low74 Ų7493.1 Ų93.148%0.48151%0.506SS..  trans-63.3139.9176.924.4-30.9000109.5L164 E168 A169L164-P166 WeakPolarHBondContact O-CD 3.34Å; P166-E168 PolarHBondContact O-N 3.16Å; P166-A169 HydrophobicContact CG-CB 3.89Å; P166-A169 WeakPolarHBondContact O-CB 3.35Å; P166-A169 PolarHBondContact O-N 3.09Å
167P49.6Very low51.8Low28 Ų2892.3 Ų92.318%0.18251%0.505CS..Hα-helixtrans-55.1-29.7-178.316.9-29000113.3P154 A169 I170 E171P154-P167 HydrophobicContact CB-CB 3.83Å; P154-P167 HydrophobicContact CG-CB 4.18Å; P167-A169 VanDerWaalsContact C-N 3.32Å; P167-A169 PolarHBondContact O-N 2.94Å; P167-I170 PolarHBondContact O-N 3.06Å; P167-E171 PolarHBondContact O-N 3.04Å
168E52.2Low52.4Low127 Ų12797.4 Ų97.459%0.59352%0.521SS*.Hα-helixtrans-66.5-30.5175.5-62.6-172.3177.500113.4P166 I170 R172P166-E168 PolarHBondContact O-N 3.16Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-R172 WeakPolarHBondContact O-CB 3.47Å; E168-R172 PolarHBondContact O-N 2.85Å
169A52.8Low52.9Low34 Ų34101.1 Ų101.128%0.28155%0.55SS.*Hα-helixtrans-71-32.3174.700000111.2I165 P166 P167 S173I165-A169 HydrophobicContact CG2-CB 4.11Å; P166-A169 HydrophobicContact CG-CB 3.89Å; P166-A169 WeakPolarHBondContact O-CB 3.35Å; P166-A169 PolarHBondContact O-N 3.09Å; P167-A169 VanDerWaalsContact C-N 3.32Å; P167-A169 PolarHBondContact O-N 2.94Å; A169-S173 VanDerWaalsContact O-CB 3.3Å; A169-S173 WeakPolarHBondContact O-CB 3.28Å; A169-S173 PolarHBondContact O-N 3.46Å; A169-S173 PolarHBondContact O-OG 3.38Å
170I57.4Low54.3Low42 Ų4299.3 Ų99.322%0.21554%0.543CS..Hα-helixtrans-71.2-46.3175.9-57.4177.2000110.3H158 I165 P167 E168 R172 S173 L174H158-I170 WeakPolarHBondContact NE2-CD1 3.28Å; I165-I170 HydrophobicContact CG2-CD1 4.14Å; I165-I170 HydrophobicContact CG2-CG1 3.69Å; P167-I170 PolarHBondContact O-N 3.06Å; E168-I170 VanDerWaalsContact C-N 3.32Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 2.74Å; I170-S173 VanDerWaalsContact CA-OG 3.25Å; I170-S173 WeakPolarHBondContact CA-OG 3.31Å; I170-S173 PolarHBondContact O-N 2.93Å; I170-S173 PolarHBondContact O-OG 3.3Å; I170-L174 HydrophobicContact CG2-CD1 3.95Å; I170-L174 HydrophobicContact CG2-CG 4.29Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 WeakPolarHBondContact O-CG 3.27Å; I170-L174 PolarHBondContact O-N 2.88Å
171E55.9Low55.5Low116 Ų11699.7 Ų99.754%0.54253%0.53SS..Hα-helixtrans-63-38.8175.1-75.7-166.1-17900112.4P167 K175P167-E171 PolarHBondContact O-N 3.04Å; E171-K175 WeakPolarHBondContact O-CB 3.31Å; E171-K175 VanDerWaalsContact O-CG 3.28Å; E171-K175 WeakPolarHBondContact O-CG 3.07Å; E171-K175 PolarHBondContact O-N 2.95Å
172R56.4Low56Low167 Ų167101.6 Ų101.663%0.6355%0.545SS*.Hα-helixtrans-66.3-40.2176.2-172.5-179.7-74104.4-5.1111.5E168 I170 A176E168-R172 WeakPolarHBondContact O-CB 3.47Å; E168-R172 PolarHBondContact O-N 2.85Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 2.74Å; R172-A176 VanDerWaalsContact O-CB 3.29Å; R172-A176 WeakPolarHBondContact O-CB 3.38Å; R172-A176 PolarHBondContact O-N 2.87Å
173S54.5Low56.9Low58 Ų58102.2 Ų102.241%0.40654%0.538SS..Hα-helixtrans-72.2-40.4177.247.30000112.2A169 I170 K175 A176 I177A169-S173 VanDerWaalsContact O-CB 3.3Å; A169-S173 WeakPolarHBondContact O-CB 3.28Å; A169-S173 PolarHBondContact O-N 3.46Å; A169-S173 PolarHBondContact O-OG 3.38Å; I170-S173 VanDerWaalsContact CA-OG 3.25Å; I170-S173 WeakPolarHBondContact CA-OG 3.31Å; I170-S173 PolarHBondContact O-N 2.93Å; I170-S173 PolarHBondContact O-OG 3.3Å; S173-K175 VanDerWaalsContact C-N 3.32Å; S173-K175 PolarHBondContact O-N 2.96Å; S173-A176 CarbonylContact O-C 3.5Å; S173-A176 WeakPolarHBondContact O-CA 3.37Å; S173-A176 PolarHBondContact O-N 2.72Å; S173-I177 VanDerWaalsContact O-CG1 3.27Å; S173-I177 WeakPolarHBondContact O-CG1 3.34Å; S173-I177 PolarHBondContact O-N 2.65Å
174L59.6Low57.7Low112 Ų112106.3 Ų106.359%0.58655%0.554SS**Hα-helixtrans-60.3-39.2171.5-75.2173.3000112.6I170 A176 I177I170-L174 HydrophobicContact CG2-CD1 3.95Å; I170-L174 HydrophobicContact CG2-CG 4.29Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 WeakPolarHBondContact O-CG 3.27Å; I170-L174 PolarHBondContact O-N 2.88Å; L174-A176 VanDerWaalsContact C-N 3.3Å; L174-I177 HydrophobicContact CD2-CD1 4.14Å; L174-I177 PolarHBondContact O-N 3.27Å
175K60.8Low58.1Low171 Ų171103.8 Ų103.874%0.74354%0.541SS*.Hα-helixtrans-71.3-24.6173-73.6172-176.8165.80113.1E171 S173E171-K175 WeakPolarHBondContact O-CB 3.31Å; E171-K175 VanDerWaalsContact O-CG 3.28Å; E171-K175 WeakPolarHBondContact O-CG 3.07Å; E171-K175 PolarHBondContact O-N 2.95Å; S173-K175 VanDerWaalsContact C-N 3.32Å; S173-K175 PolarHBondContact O-N 2.96Å
176A59.5Low58.7Low59 Ų59108 Ų10849%0.48856%0.564SS.*Hα-helixtrans-85.4-19.1177.200000113.1R172 S173 L174 R178R172-A176 VanDerWaalsContact O-CB 3.29Å; R172-A176 WeakPolarHBondContact O-CB 3.38Å; R172-A176 PolarHBondContact O-N 2.87Å; S173-A176 CarbonylContact O-C 3.5Å; S173-A176 WeakPolarHBondContact O-CA 3.37Å; S173-A176 PolarHBondContact O-N 2.72Å; L174-A176 VanDerWaalsContact C-N 3.3Å; A176-R178 PolarHBondContact O-N 2.98Å
177I65.6Low59Low73 Ų73107.9 Ų107.937%0.37456%0.564SS.*  trans-67.7103.6176.3-73.8159.9000109.1S173 L174 H181 L183S173-I177 VanDerWaalsContact O-CG1 3.27Å; S173-I177 WeakPolarHBondContact O-CG1 3.34Å; S173-I177 PolarHBondContact O-N 2.65Å; L174-I177 HydrophobicContact CD2-CD1 4.14Å; L174-I177 PolarHBondContact O-N 3.27Å; I177-H181 HydrophobicContact CG2-CB 4.42Å; I177-L183 HydrophobicContact CD1-CD2 3.98Å
178R61.3Low59.5Low152 Ų152111.4 Ų111.457%0.57458%0.581SS**  trans-85.1157.2167.6-52.8-125-159.1155.9-12.8110.1A176 Y180 H181A176-R178 PolarHBondContact O-N 2.98Å; R178-Y180 HydrophobicContact CB-CD1 3.94Å; R178-Y180 HydrophobicContact CB-CD2 4.08Å; R178-Y180 HydrophobicContact CB-CE1 3.47Å; R178-Y180 VanDerWaalsContact CB-CE1 3.47Å; R178-Y180 HydrophobicContact CB-CE2 3.63Å; R178-Y180 HydrophobicContact CB-CG 4.25Å; R178-Y180 WeakPolarHBondContact CD-OH 3.42Å; R178-Y180 HydrophobicContact CG-CE1 4.16Å; R178-Y180 HydrophobicContact CG-CE2 4.11Å; R178-Y180 PolarHBondContact NE-OH 2.79Å; R178-Y180 PolarHBondContact NH1-OH 3.4Å; R178-Y180 VanDerWaalsContact NH1-OH 3.08Å; R178-Y180 PolarHBondContact O-N 2.88Å; R178-H181 PolarHBondContact N-ND1 3.06Å; R178-H181 PolarHBondContact O-N 3.22Å; R178-H181 PolarHBondContact O-ND1 3.45Å
179P61.3Low59.8Low137 Ų137111.6 Ų111.689%0.8958%0.583SS**THydrogen-bonded Turntrans-56.1-16.9-176.517.3-31.6000115.7
180Y69.1Low60Low157 Ų157118 Ų11862%0.61660%0.604SS**THydrogen-bonded Turntrans-943.4178.446.3-100.5000114.5R178R178-Y180 HydrophobicContact CB-CD1 3.94Å; R178-Y180 HydrophobicContact CB-CD2 4.08Å; R178-Y180 HydrophobicContact CB-CE1 3.47Å; R178-Y180 VanDerWaalsContact CB-CE1 3.47Å; R178-Y180 HydrophobicContact CB-CE2 3.63Å; R178-Y180 HydrophobicContact CB-CG 4.25Å; R178-Y180 WeakPolarHBondContact CD-OH 3.42Å; R178-Y180 HydrophobicContact CG-CE1 4.16Å; R178-Y180 HydrophobicContact CG-CE2 4.11Å; R178-Y180 PolarHBondContact NE-OH 2.79Å; R178-Y180 PolarHBondContact NH1-OH 3.4Å; R178-Y180 VanDerWaalsContact NH1-OH 3.08Å; R178-Y180 PolarHBondContact O-N 2.88Å
181H67.8Low60.1Low97 Ų97119.5 Ų119.545%0.44962%0.618SS.*PPolyproline II helixtrans-82.7132.3172.3-70.396.6000110.7I177 R178I177-H181 HydrophobicContact CG2-CB 4.42Å; R178-H181 PolarHBondContact N-ND1 3.06Å; R178-H181 PolarHBondContact O-N 3.22Å; R178-H181 PolarHBondContact O-ND1 3.45Å
182A54.6Low60.1Low101 Ų101116.2 Ų116.284%0.83560%0.604SS**PPolyproline II helixtrans-81.3129.917000000109.7
183L65.8Low60.2Low136 Ų136113.3 Ų113.371%0.71260%0.6SS**PPolyproline II helixtrans-88.5125169.8-66172.2000108.2I177I177-L183 HydrophobicContact CD1-CD2 3.98Å
184L59.9Low60.3Low151 Ų151113.9 Ų113.979%0.79162%0.615SS**  trans-100115.6-180-145.8149.5000108.2L186L184-L186 PolarHBondContact O-N 2.81Å
185L56.2Low60.1Low112 Ų112114.6 Ų114.659%0.58662%0.616SS**  trans-67.1118.1175.4-112.374000108.9S187 L192L185-S187 VanDerWaalsContact C-N 3.35Å; L185-L192 HydrophobicContact CB-CD1 4.5Å; L185-L192 HydrophobicContact CD1-CD1 4.39Å; L185-L192 HydrophobicContact CD2-CD1 3.18Å; L185-L192 HydrophobicContact CG-CD1 3.43Å; L185-L192 VanDerWaalsContact CG-CD1 3.43Å
186L61.5Low59.8Low165 Ų165110.9 Ų110.986%0.86460%0.603SS**  trans-87.8-8.9175.8-63.7174.6000112.8L184L184-L186 PolarHBondContact O-N 2.81Å
187S58.2Low59.4Low70 Ų70110.4 Ų110.449%0.4960%0.595SS.*SBendtrans-116.6150.1179.7-52.20000110L185L185-S187 VanDerWaalsContact C-N 3.35Å
188D59.8Low58.9Low102 Ų102114.9 Ų114.955%0.54562%0.618SS.*  trans-60.5140.7178.5-172.531.6000111.5K190 S191 L192D188-K190 PolarHBondContact O-N 3.01Å; D188-S191 PolarHBondContact O-N 2.88Å; D188-L192 PolarHBondContact O-N 3Å
189E58.3Low58.1Low132 Ų132114.4 Ų114.462%0.61763%0.627SS**Hα-helixtrans-54.4-40.4-174.3-176.4-176168.500111.4S191 L192 L193E189-S191 PolarHBondContact O-N 3.02Å; E189-L192 PolarHBondContact O-N 3.17Å; E189-L193 HydrophobicContact CG-CD1 3.95Å; E189-L193 HydrophobicContact CG-CG 4.49Å; E189-L193 WeakPolarHBondContact O-CB 3.06Å; E189-L193 VanDerWaalsContact O-CG 3.29Å; E189-L193 WeakPolarHBondContact O-CG 3.22Å; E189-L193 PolarHBondContact O-N 2.97Å
190K57.1Low57.1Low169 Ų169112.5 Ų112.574%0.73562%0.616SS**Hα-helixtrans-68.1-35.2-178-62.7176.5-177173.60112.9D188 G194D188-K190 PolarHBondContact O-N 3.01Å; K190-G194 PolarHBondContact O-N 3.48Å
191S59.1Low55.5Low72 Ų72114 Ų11450%0.50365%0.65SS.*Hα-helixtrans-71.9-37.3177.7-58.50000111.2D188 E189 G194 E195D188-S191 PolarHBondContact O-N 2.88Å; E189-S191 PolarHBondContact O-N 3.02Å; S191-G194 PolarHBondContact O-N 2.93Å; S191-E195 PolarHBondContact O-N 3.05Å
192L56.6Low54.9Low48 Ų48114.9 Ų114.925%0.25166%0.66SS.*Hα-helixtrans-74.3-37.3178-74.4168.2000113L185 D188 E189 G194 E195 L196L185-L192 HydrophobicContact CB-CD1 4.5Å; L185-L192 HydrophobicContact CD1-CD1 4.39Å; L185-L192 HydrophobicContact CD2-CD1 3.18Å; L185-L192 HydrophobicContact CG-CD1 3.43Å; L185-L192 VanDerWaalsContact CG-CD1 3.43Å; D188-L192 PolarHBondContact O-N 3Å; E189-L192 PolarHBondContact O-N 3.17Å; L192-G194 PolarHBondContact O-N 3.24Å; L192-E195 PolarHBondContact O-N 3.06Å; L192-L196 WeakPolarHBondContact O-CG 3.29Å; L192-L196 PolarHBondContact O-N 3.41Å; L192-L196 VanDerWaalsContact O-N 3.1Å
193L57.1Low54.9Low106 Ų106115.6 Ų115.656%0.55565%0.65SS**Hα-helixtrans-61.7-28.1173-74.4170.4000112.7E189 L196E189-L193 HydrophobicContact CG-CD1 3.95Å; E189-L193 HydrophobicContact CG-CG 4.49Å; E189-L193 WeakPolarHBondContact O-CB 3.06Å; E189-L193 VanDerWaalsContact O-CG 3.29Å; E189-L193 WeakPolarHBondContact O-CG 3.22Å; E189-L193 PolarHBondContact O-N 2.97Å; L193-L196 HydrophobicContact CD2-CD1 4.09Å
194G57Low54.3Low69 Ų69114.5 Ų114.571%0.71165%0.647SS**Hα-helixtrans-76.2-20.6172.700000114.7K190 S191 L192K190-G194 PolarHBondContact O-N 3.48Å; S191-G194 PolarHBondContact O-N 2.93Å; L192-G194 PolarHBondContact O-N 3.24Å
195E55.2Low53.9Low128 Ų128112.4 Ų112.460%0.59864%0.638SS**Hα-helixtrans-93.1-21.5179-70.5-175.5172.600113.3R140 S191 L192R140-E195 PolarHBondContact NH1-O 2.72Å; R140-E195 PolarHBondContact NH2-O 2.68Å; R140-E195 VanDerWaalsContact NH2-O 3.11Å; S191-E195 PolarHBondContact O-N 3.05Å; L192-E195 PolarHBondContact O-N 3.06Å
196L54.9Low53.8Low93 Ų93112.4 Ų112.449%0.48764%0.642SS.*SBendtrans-66.6138.2177.7-81.8157.5000110.8L192 L193L192-L196 WeakPolarHBondContact O-CG 3.29Å; L192-L196 PolarHBondContact O-N 3.41Å; L192-L196 VanDerWaalsContact O-N 3.1Å; L193-L196 HydrophobicContact CD2-CD1 4.09Å
197P51Low53.3Low48 Ų48108.9 Ų108.931%0.31263%0.627SS.*  trans-60.3150.4173.6-12.224.8000110.9D199P197-D199 PolarHBondContact O-N 2.99Å
198I54.4Low52.9Low167 Ų167111.6 Ų111.686%0.85664%0.637SS**THydrogen-bonded Turntrans-66.3-8.8-174.2-53.6159000112.1C200I198-C200 VanDerWaalsContact C-N 3.35Å; I198-C200 PolarHBondContact O-N 3.32Å
199D44.5Very low52.4Low142 Ų142112.4 Ų112.476%0.75964%0.644SS**THydrogen-bonded Turntrans-90.117.7-175.9-67.7-25.5000114.8P197 S201P197-D199 PolarHBondContact O-N 2.99Å; D199-S201 PolarHBondContact O-N 3.08Å
200C40.8Very low51.9Low98 Ų98110.8 Ų110.866%0.66265%0.646SS**  trans-89.678.7166.9-74.20000110.5I198I198-C200 VanDerWaalsContact C-N 3.35Å; I198-C200 PolarHBondContact O-N 3.32Å
201S35.6Very low51.5Low189 Ų189105.5 Ų105.5100%1.32264%0.638SS**  trans-145.20162.8-710000110.6D199D199-S201 PolarHBondContact O-N 3.08Å

Retrieved 201 of 201 residues in 121.7 ms (Link to these results)

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