A0A087X3I1_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087X3I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 195 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
1A36.6Very low46.2Very low155 Ų155160.6 Ų160.6100%1.28184%0.838SS**  0126.4000000109.4
2C35.9Very low47.3Very low115 Ų115160.8 Ų160.878%0.77784%0.838SS**  trans9.4117.2172.9-58.10000121.2M4C2-M4 PolarHBondContact O-N 3.37Å
3K42.9Very low47.8Very low212 Ų212159.5 Ų159.592%0.92282%0.815SS**  trans-62.7114.4151.9-75.9175.8174.7174.50108.9S5K3-S5 PolarHBondContact O-N 3.48Å
4M38.8Very low48.6Very low167 Ų167161.4 Ų161.482%0.82382%0.815SS**  trans-89.797.2165.2-73.9-84.5173.500107.7C2 N6C2-M4 PolarHBondContact O-N 3.37Å; M4-N6 PolarHBondContact O-N 3.13Å; M4-N6 VanDerWaalsContact O-N 3.13Å
5S50.9Low49.5Very low111 Ų111153.7 Ų153.778%0.77679%0.792SS**  trans-65.5105.2164.352.30000108.1K3K3-S5 PolarHBondContact O-N 3.48Å
6N45.4Very low50.4Low147 Ų147150.1 Ų150.179%0.78679%0.785SS**  trans-59.2125.2170.9-88.3-26000108.6M4 L8M4-N6 PolarHBondContact O-N 3.13Å; M4-N6 VanDerWaalsContact O-N 3.13Å; N6-L8 PolarHBondContact O-N 3.3Å
7P46.3Very low51.3Low92 Ų92144.9 Ų144.960%0.59776%0.764SS**  trans-61.9132.4175.625.9-31.2000107.7F9P7-F9 HydrophobicContact CG-CD2 4.11Å; P7-F9 HydrophobicContact CG-CE2 3.99Å; P7-F9 PolarHBondContact O-N 2.7Å
8L52.7Low52.4Low169 Ų169144.8 Ų144.889%0.88576%0.759SS**  trans-61.284.6169-69.8171.9000107.9N6 R10N6-L8 PolarHBondContact O-N 3.3Å; L8-R10 PolarHBondContact O-N 2.77Å
9F46.3Very low53.6Low183 Ų183145.2 Ų145.280%0.80376%0.762SS**  trans-60.792.3159.6-89.9-86.2000105.4P7 R11P7-F9 HydrophobicContact CG-CD2 4.11Å; P7-F9 HydrophobicContact CG-CE2 3.99Å; P7-F9 PolarHBondContact O-N 2.7Å; F9-R11 PolarHBondContact O-N 2.75Å
10R55.5Low54.6Low230 Ų230149.3 Ų149.387%0.86877%0.766SS**  trans-58.985.3157.2-83.1-173.2175.9-157.40.3105.4L8 I12L8-R10 PolarHBondContact O-N 2.77Å; R10-I12 VanDerWaalsContact C-N 3.28Å; R10-I12 PolarHBondContact O-N 2.7Å
11R56.9Low55.9Low186 Ų186149.9 Ų149.970%0.70276%0.759SS**  trans-63.199173.9-158.2167174.6-162.23.4103.7F9 R13F9-R11 PolarHBondContact O-N 2.75Å; R11-R13 HydrophobicContact CB-CG 4.12Å; R11-R13 HydrophobicContact CG-CG 3.91Å; R11-R13 WeakPolarHBondContact O-CG 3.49Å; R11-R13 PolarHBondContact O-N 3.45Å
12I59.6Low58.1Low162 Ų162148.3 Ų148.383%0.83173%0.728SS**  trans-64.487.8172.5-61.3169.3000104.7R10 F14R10-I12 VanDerWaalsContact C-N 3.28Å; R10-I12 PolarHBondContact O-N 2.7Å; I12-F14 PolarHBondContact O-N 3.16Å
13R53.3Low60.1Low145 Ų145149.5 Ų149.555%0.54772%0.717SS.*  trans-87.5103.4176.2-63.9-172.5-163.2170.10.7105.3R11 G15 S17R11-R13 HydrophobicContact CB-CG 4.12Å; R11-R13 HydrophobicContact CG-CG 3.91Å; R11-R13 WeakPolarHBondContact O-CG 3.49Å; R11-R13 PolarHBondContact O-N 3.45Å; R13-G15 PolarHBondContact O-N 3.31Å; R13-S17 VanDerWaalsContact CB-OG 3.31Å; R13-S17 WeakPolarHBondContact CB-OG 3.03Å; R13-S17 WeakPolarHBondContact CD-OG 3.22Å
14F59Low61.8Low186 Ų186142.9 Ų142.982%0.81670%0.695SS**  trans-48.3136.3158.2-128.4-98.9000106.8I12 S16I12-F14 PolarHBondContact O-N 3.16Å; F14-S16 PolarHBondContact O-N 3.16Å; F14-S16 PolarHBondContact O-OG 2.99Å
15G62.3Low63.6Low46 Ų46139.7 Ų139.747%0.47469%0.69SS.*G310 helixtrans-56.312.7-161.600000118.8R13 S17 Q18R13-G15 PolarHBondContact O-N 3.31Å; G15-S17 VanDerWaalsContact C-N 3.29Å; G15-S17 PolarHBondContact O-N 3.23Å; G15-Q18 PolarHBondContact O-N 3.09Å
16S63.6Low65.2Low96 Ų96138.8 Ų138.867%0.67167%0.67SS**G310 helixtrans-66.5-19.7174.361.50000115.1F14F14-S16 PolarHBondContact O-N 3.16Å; F14-S16 PolarHBondContact O-OG 2.99Å
17S66.1Low67.2Low62 Ų62133.3 Ų133.343%0.43464%0.639SS.*G310 helixtrans-100.68.3178.2610000114.1R13 G15R13-S17 VanDerWaalsContact CB-OG 3.31Å; R13-S17 WeakPolarHBondContact CB-OG 3.03Å; R13-S17 WeakPolarHBondContact CD-OG 3.22Å; G15-S17 VanDerWaalsContact C-N 3.29Å; G15-S17 PolarHBondContact O-N 3.23Å
18Q71.2Confident68.9Low143 Ų143130.9 Ų130.967%0.66863%0.627SS**SBendtrans-83.1147169.1-65.1178.91.500109G15 R20G15-Q18 PolarHBondContact O-N 3.09Å; Q18-R20 PolarHBondContact O-N 3.28Å; Q18-R20 VanDerWaalsContact O-N 3.16Å
19D75.8Confident70.4Confident152 Ų152129.6 Ų129.681%0.81362%0.62SS**  trans-57.1122.1173.5-75-25000109.9R21D19-R21 PolarHBondContact O-N 3.44Å
20R73.9Confident72.2Confident226 Ų226126.2 Ų126.285%0.85361%0.611SS**  trans-72.1100-178.4-67.7-174.3-178-170.61.5109.1Q18Q18-R20 PolarHBondContact O-N 3.28Å; Q18-R20 VanDerWaalsContact O-N 3.16Å
21R81.9Confident73.7Confident162 Ų162124.4 Ų124.461%0.61160%0.604SS**PPolyproline II helixtrans-81.7134.1171.6-59.4-179.6-177.8-173-1109.1D19 Y26D19-R21 PolarHBondContact O-N 3.44Å; R21-Y26 HydrophobicContact CB-CD1 3.3Å; R21-Y26 HydrophobicContact CB-CD2 4.36Å; R21-Y26 HydrophobicContact CB-CE1 4.02Å; R21-Y26 HydrophobicContact CB-CG 3.47Å; R21-Y26 VanDerWaalsContact CB-CG 3.47Å; R21-Y26 VanDerWaalsContact CD-CD2 3.43Å; R21-Y26 VanDerWaalsContact CD-CG 3.42Å; R21-Y26 HydrophobicContact CG-CD1 4.03Å; R21-Y26 HydrophobicContact CG-CE1 4.36Å; R21-Y26 HydrophobicContact CG-CG 4.07Å
22I81.1Confident74.9Confident123 Ų123121.7 Ų121.763%0.63160%0.603SS**PPolyproline II helixtrans-94.7143.1-174.453.4171.3000111.5S25 Y26I22-S25 PolarHBondContact O-N 3.48Å; I22-Y26 PolarHBondContact O-N 2.92Å; I22-Y26 VanDerWaalsContact O-N 3.09Å
23Y78.2Confident76.2Confident140 Ų140114.3 Ų114.355%0.54957%0.567SS.*THydrogen-bonded Turntrans-76143.2167.3174.4-93.9000109.3F27 E40Y23-F27 HydrophobicContact CD2-CD1 4.42Å; Y23-F27 AromaticContact CD2-CE1 3.71Å; Y23-F27 HydrophobicContact CD2-CE1 3.71Å; Y23-F27 HydrophobicContact CD2-CZ 4.02Å; Y23-F27 AromaticContact CE2-CE1 3.47Å; Y23-F27 HydrophobicContact CE2-CE1 3.47Å; Y23-F27 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F27 AromaticContact CE2-CZ 3.62Å; Y23-F27 HydrophobicContact CE2-CZ 3.62Å; Y23-E40 WeakPolarHBondContact CE2-OE1 3.11Å; Y23-E40 PolarHBondContact OH-OE1 2.95Å
24P78.2Confident77.7Confident72 Ų72110.8 Ų110.847%0.46856%0.559SS.*THydrogen-bonded Turncis-89.8-1.16.935.3-35.4000115.1Y26 E40P24-Y26 PolarHBondContact O-N 3.26Å; P24-E40 WeakPolarHBondContact CB-OE1 3.33Å
25S78.6Confident78.9Confident101 Ų101106.7 Ų106.771%0.70654%0.542SS*.THydrogen-bonded Turntrans-64.8-27.2-174.7-25.90000113.2I22I22-S25 PolarHBondContact O-N 3.48Å
26Y83.6Confident79.9Confident92 Ų92106.5 Ų106.536%0.36153%0.533SS..  trans-137.1139.4-177.6-177.6-101000112.9R21 I22 P24R21-Y26 HydrophobicContact CB-CD1 3.3Å; R21-Y26 HydrophobicContact CB-CD2 4.36Å; R21-Y26 HydrophobicContact CB-CE1 4.02Å; R21-Y26 HydrophobicContact CB-CG 3.47Å; R21-Y26 VanDerWaalsContact CB-CG 3.47Å; R21-Y26 VanDerWaalsContact CD-CD2 3.43Å; R21-Y26 VanDerWaalsContact CD-CG 3.42Å; R21-Y26 HydrophobicContact CG-CD1 4.03Å; R21-Y26 HydrophobicContact CG-CE1 4.36Å; R21-Y26 HydrophobicContact CG-CG 4.07Å; I22-Y26 PolarHBondContact O-N 2.92Å; I22-Y26 VanDerWaalsContact O-N 3.09Å; P24-Y26 PolarHBondContact O-N 3.26Å
27F86.4Confident80.7Confident31 Ų31107.8 Ų107.814%0.13653%0.527CS..  trans-116.5135.4174.4-71-77.1000110.5Y23 S36 K37 E40Y23-F27 HydrophobicContact CD2-CD1 4.42Å; Y23-F27 AromaticContact CD2-CE1 3.71Å; Y23-F27 HydrophobicContact CD2-CE1 3.71Å; Y23-F27 HydrophobicContact CD2-CZ 4.02Å; Y23-F27 AromaticContact CE2-CE1 3.47Å; Y23-F27 HydrophobicContact CE2-CE1 3.47Å; Y23-F27 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F27 AromaticContact CE2-CZ 3.62Å; Y23-F27 HydrophobicContact CE2-CZ 3.62Å; F27-S36 WeakPolarHBondContact CD1-OG 3.5Å; F27-S36 VanDerWaalsContact CE1-OG 3.24Å; F27-S36 WeakPolarHBondContact CE1-OG 3.31Å; F27-K37 HydrophobicContact CB-CB 4.22Å; F27-K37 HydrophobicContact CD1-CB 4.21Å; F27-K37 HydrophobicContact CD2-CB 3.85Å; F27-K37 HydrophobicContact CD2-CG 3.99Å; F27-K37 HydrophobicContact CE2-CB 4.23Å; F27-K37 HydrophobicContact CE2-CG 4.38Å; F27-K37 HydrophobicContact CG-CB 3.82Å; F27-K37 HydrophobicContact CG-CG 4.4Å; F27-E40 WeakPolarHBondContact CE2-OE2 3.32Å; F27-E40 HydrophobicContact CZ-CB 4.16Å; F27-E40 HydrophobicContact CZ-CG 3.82Å; F27-E40 WeakPolarHBondContact CZ-OE2 3.36Å
28A83.4Confident81.3Confident42 Ų42113.1 Ų113.135%0.34754%0.537SS..  trans-59.8147.1169.300000110.4D30 G33A28-D30 HydrophobicContact CB-CB 4.49Å; A28-D30 PolarHBondContact O-N 3.18Å; A28-G33 CarbonylContact O-C 3.47Å; A28-G33 WeakPolarHBondContact O-CA 3.35Å
29L82.9Confident81.4Confident141 Ų141113.7 Ų113.774%0.73854%0.535SS*.SBendtrans-78.27.1177.7-66.3171.9000113.1N34L29-N34 PolarHBondContact O-ND2 2.93Å; L29-N34 VanDerWaalsContact O-ND2 3.16Å
30D85.4Confident81.4Confident112 Ų112108.9 Ų108.960%0.59951%0.507SS*.SBendtrans-75166.7178.1-59.8-23.4000111.8A28 L32 G33 N34A28-D30 HydrophobicContact CB-CB 4.49Å; A28-D30 PolarHBondContact O-N 3.18Å; D30-L32 PolarHBondContact O-N 3.14Å; D30-L32 VanDerWaalsContact O-N 3.15Å; D30-G33 PolarHBondContact O-N 2.86Å; D30-N34 PolarHBondContact O-N 3.4Å; D30-N34 PolarHBondContact O-ND2 3.18Å
31R85.4Confident81.3Confident193 Ų193102.2 Ų102.273%0.72850%0.501SS*.Hα-helixtrans-51-42.3177.2-165.6-179.893.9136.42112.3Q35R31-Q35 VanDerWaalsContact O-CG 3.31Å; R31-Q35 WeakPolarHBondContact O-CG 3.29Å; R31-Q35 PolarHBondContact O-N 2.9Å; R31-Q35 VanDerWaalsContact O-N 3.15Å
32L84.1Confident80.8Confident129 Ų129104.4 Ų104.468%0.67551%0.509SS*.Hα-helixtrans-67.9-43.1178.6-70.8172.4000112.2D30 Q35 S36D30-L32 PolarHBondContact O-N 3.14Å; D30-L32 VanDerWaalsContact O-N 3.15Å; L32-Q35 WeakPolarHBondContact O-CB 3.46Å; L32-Q35 PolarHBondContact O-N 3.34Å; L32-S36 PolarHBondContact O-N 3.36Å; L32-S36 PolarHBondContact O-OG 2.82Å
33G85.7Confident80.1Confident7 Ų7103.1 Ų103.17%0.07250%0.499CS..Hα-helixtrans-69-34.1178.900000113A28 D30 Q35 S36 K37A28-G33 CarbonylContact O-C 3.47Å; A28-G33 WeakPolarHBondContact O-CA 3.35Å; D30-G33 PolarHBondContact O-N 2.86Å; G33-Q35 VanDerWaalsContact C-N 3.35Å; G33-S36 WeakPolarHBondContact CA-OG 3.24Å; G33-S36 PolarHBondContact O-N 3.39Å; G33-S36 PolarHBondContact O-OG 2.62Å; G33-K37 VanDerWaalsContact O-CB 3.29Å; G33-K37 WeakPolarHBondContact O-CB 3.34Å; G33-K37 PolarHBondContact O-N 3.15Å
34N85.3Confident79.6Confident71 Ų7199.9 Ų99.938%0.3850%0.495SS..Hα-helixtrans-66.9-35.7172.2-72.7-38.6000112.4L29 D30 R38L29-N34 PolarHBondContact O-ND2 2.93Å; L29-N34 VanDerWaalsContact O-ND2 3.16Å; D30-N34 PolarHBondContact O-N 3.4Å; D30-N34 PolarHBondContact O-ND2 3.18Å; N34-R38 VanDerWaalsContact O-CG 3.29Å; N34-R38 WeakPolarHBondContact O-CG 3.31Å; N34-R38 PolarHBondContact O-N 3.42Å; N34-R38 VanDerWaalsContact O-N 3.12Å
35Q83.9Confident79Confident99 Ų99101.9 Ų101.946%0.46351%0.508SS..Hα-helixtrans-67.3-46174.4-75.6175.7-200111.7R31 L32 G33 R38 Y39R31-Q35 VanDerWaalsContact O-CG 3.31Å; R31-Q35 WeakPolarHBondContact O-CG 3.29Å; R31-Q35 PolarHBondContact O-N 2.9Å; R31-Q35 VanDerWaalsContact O-N 3.15Å; L32-Q35 WeakPolarHBondContact O-CB 3.46Å; L32-Q35 PolarHBondContact O-N 3.34Å; G33-Q35 VanDerWaalsContact C-N 3.35Å; Q35-R38 PolarHBondContact O-N 3.04Å; Q35-Y39 PolarHBondContact O-N 3.26Å
36S82.3Confident78.2Confident42 Ų42104.4 Ų104.429%0.29451%0.508SS..Hα-helixtrans-68-37.4179.155.80000112.4F27 L32 G33 R38 Y39 E40F27-S36 WeakPolarHBondContact CD1-OG 3.5Å; F27-S36 VanDerWaalsContact CE1-OG 3.24Å; F27-S36 WeakPolarHBondContact CE1-OG 3.31Å; L32-S36 PolarHBondContact O-N 3.36Å; L32-S36 PolarHBondContact O-OG 2.82Å; G33-S36 WeakPolarHBondContact CA-OG 3.24Å; G33-S36 PolarHBondContact O-N 3.39Å; G33-S36 PolarHBondContact O-OG 2.62Å; S36-R38 VanDerWaalsContact C-N 3.35Å; S36-R38 PolarHBondContact O-N 3.18Å; S36-Y39 WeakPolarHBondContact O-CB 3.38Å; S36-Y39 PolarHBondContact O-N 3.15Å; S36-E40 PolarHBondContact O-N 2.91Å
37K82.2Confident77.2Confident123 Ų123102.9 Ų102.954%0.53551%0.506SS..Hα-helixtrans-58.7-43.5170.6-174.3177.9-179.7179.70112.3F27 G33 Y39 E40 A41F27-K37 HydrophobicContact CB-CB 4.22Å; F27-K37 HydrophobicContact CD1-CB 4.21Å; F27-K37 HydrophobicContact CD2-CB 3.85Å; F27-K37 HydrophobicContact CD2-CG 3.99Å; F27-K37 HydrophobicContact CE2-CB 4.23Å; F27-K37 HydrophobicContact CE2-CG 4.38Å; F27-K37 HydrophobicContact CG-CB 3.82Å; F27-K37 HydrophobicContact CG-CG 4.4Å; G33-K37 VanDerWaalsContact O-CB 3.29Å; G33-K37 WeakPolarHBondContact O-CB 3.34Å; G33-K37 PolarHBondContact O-N 3.15Å; K37-Y39 VanDerWaalsContact C-N 3.34Å; K37-E40 PolarHBondContact O-N 3.03Å; K37-A41 VanDerWaalsContact O-CB 3.32Å; K37-A41 WeakPolarHBondContact O-CB 3.29Å; K37-A41 PolarHBondContact O-N 3.45Å
38R76.9Confident76.3Confident175 Ų175102.8 Ų102.866%0.6651%0.513SS*.Hα-helixtrans-65.3-38.1175.5-76.1175.1178.5-176.30.4112.2N34 Q35 S36 R42N34-R38 VanDerWaalsContact O-CG 3.29Å; N34-R38 WeakPolarHBondContact O-CG 3.31Å; N34-R38 PolarHBondContact O-N 3.42Å; N34-R38 VanDerWaalsContact O-N 3.12Å; Q35-R38 PolarHBondContact O-N 3.04Å; S36-R38 VanDerWaalsContact C-N 3.35Å; S36-R38 PolarHBondContact O-N 3.18Å; R38-R42 WeakPolarHBondContact O-CB 3.24Å; R38-R42 VanDerWaalsContact O-CG 3.24Å; R38-R42 WeakPolarHBondContact O-CG 3.13Å; R38-R42 PolarHBondContact O-N 3Å; R38-R42 VanDerWaalsContact O-N 3.14Å
39Y75Confident75.1Confident155 Ų155107.2 Ų107.261%0.60854%0.539SS*.Hα-helixtrans-66.2-43.7177.6-174.9-106.3000111.3Q35 S36 K37 R42 K43Q35-Y39 PolarHBondContact O-N 3.26Å; S36-Y39 WeakPolarHBondContact O-CB 3.38Å; S36-Y39 PolarHBondContact O-N 3.15Å; K37-Y39 VanDerWaalsContact C-N 3.34Å; Y39-R42 PolarHBondContact O-N 2.91Å; Y39-K43 PolarHBondContact O-N 3.15Å
40E75.5Confident74.1Confident50 Ų50104 Ų10423%0.23454%0.54CS..Hα-helixtrans-66.8-42.2174-77.9-156.9171.600113.8Y23 P24 F27 S36 K37 R42 K43Y23-E40 WeakPolarHBondContact CE2-OE1 3.11Å; Y23-E40 PolarHBondContact OH-OE1 2.95Å; P24-E40 WeakPolarHBondContact CB-OE1 3.33Å; F27-E40 WeakPolarHBondContact CE2-OE2 3.32Å; F27-E40 HydrophobicContact CZ-CB 4.16Å; F27-E40 HydrophobicContact CZ-CG 3.82Å; F27-E40 WeakPolarHBondContact CZ-OE2 3.36Å; S36-E40 PolarHBondContact O-N 2.91Å; K37-E40 PolarHBondContact O-N 3.03Å; E40-R42 PolarHBondContact O-N 3.12Å; E40-K43 WeakPolarHBondContact O-CB 3.5Å; E40-K43 PolarHBondContact O-N 3.17Å
41A72.1Confident73Confident87 Ų87102 Ų10272%0.71953%0.534SS*.Hα-helixtrans-62.1-24.6176.300000112.9K37K37-A41 VanDerWaalsContact O-CB 3.32Å; K37-A41 WeakPolarHBondContact O-CB 3.29Å; K37-A41 PolarHBondContact O-N 3.45Å
42R71.2Confident72.2Confident207 Ų20798.6 Ų98.678%0.78152%0.522SS*.THydrogen-bonded Turntrans-85-13.4174-74174.9-177.7-169.9-0.9113.3R38 Y39 E40 P44R38-R42 WeakPolarHBondContact O-CB 3.24Å; R38-R42 VanDerWaalsContact O-CG 3.24Å; R38-R42 WeakPolarHBondContact O-CG 3.13Å; R38-R42 PolarHBondContact O-N 3Å; R38-R42 VanDerWaalsContact O-N 3.14Å; Y39-R42 PolarHBondContact O-N 2.91Å; E40-R42 PolarHBondContact O-N 3.12Å; R42-P44 WeakPolarHBondContact O-CD 3.11Å
43K66.1Low71.4Confident96 Ų9697.5 Ų97.542%0.41752%0.517SS..SBendtrans-73.3124.9172.5-70.9179.1-177.1178.40107.6Y39 E40Y39-K43 PolarHBondContact O-N 3.15Å; E40-K43 WeakPolarHBondContact O-CB 3.5Å; E40-K43 PolarHBondContact O-N 3.17Å
44P67.6Low70.4Confident72 Ų72102.1 Ų102.147%0.46854%0.54SS..  trans-54.7135168.9-22.932.2000109.4R42 H46 L47R42-P44 WeakPolarHBondContact O-CD 3.11Å; P44-H46 PolarHBondContact O-N 2.48Å; P44-L47 HydrophobicContact CB-CD1 3.89Å; P44-L47 HydrophobicContact CB-CG 3.99Å; P44-L47 HydrophobicContact CG-CD1 3.53Å; P44-L47 HydrophobicContact CG-CG 4.2Å; P44-L47 PolarHBondContact O-N 3.25Å
45P64.7Low69.6Low115 Ų115105.9 Ų105.975%0.74756%0.56SS**THydrogen-bonded Turntrans-62.6-0.7-169.115.8-26.2000115.7
46H62.1Low68.9Low153 Ų153107.7 Ų107.771%0.70857%0.569SS**THydrogen-bonded Turntrans-129.66.9-170.2-40.5-48.3000114.2P44 G48P44-H46 PolarHBondContact O-N 2.48Å; H46-G48 VanDerWaalsContact C-N 3.33Å; H46-G48 PolarHBondContact O-N 3.01Å
47L63.4Low68.3Low61 Ų61111.7 Ų111.732%0.31958%0.581SS.*  trans-85.876.6-178.7-66.2179.5000111.5P44 C51 Y52P44-L47 HydrophobicContact CB-CD1 3.89Å; P44-L47 HydrophobicContact CB-CG 3.99Å; P44-L47 HydrophobicContact CG-CD1 3.53Å; P44-L47 HydrophobicContact CG-CG 4.2Å; P44-L47 PolarHBondContact O-N 3.25Å; L47-C51 HydrophobicContact CD2-CB 4.13Å; L47-C51 WeakPolarHBondContact CD2-O 2.97Å; L47-Y52 HydrophobicContact CB-CD1 4.42Å; L47-Y52 HydrophobicContact CB-CE1 4.01Å; L47-Y52 HydrophobicContact CD1-CD1 3.81Å; L47-Y52 HydrophobicContact CD1-CE1 3.75Å; L47-Y52 HydrophobicContact CD2-CD1 4.22Å; L47-Y52 HydrophobicContact CG-CD1 4.4Å; L47-Y52 HydrophobicContact CG-CE1 4.37Å
48G66.4Low67.6Low28 Ų28115.3 Ų115.329%0.28959%0.591SS.*  trans-64163.2160.300000111.4H46 G50 C51H46-G48 VanDerWaalsContact C-N 3.33Å; H46-G48 PolarHBondContact O-N 3.01Å; G48-G50 PolarHBondContact O-N 3.01Å; G48-C51 PolarHBondContact O-N 3.06Å
49P59.4Low67.8Low135 Ų135108.2 Ų108.288%0.87757%0.568SS**THydrogen-bonded Turntrans-56.5116.6169.223.7-30.8000109.3
50G61.3Low68Low75 Ų75107.5 Ų107.577%0.77357%0.574SS**THydrogen-bonded Turntrans102.6-6.5-176.800000115.8G48G48-G50 PolarHBondContact O-N 3.01Å
51C63.5Low68.3Low70 Ų70109.4 Ų109.447%0.47359%0.589SS.*  trans-95.36177.8-61.60000113.6L47 G48L47-C51 HydrophobicContact CD2-CB 4.13Å; L47-C51 WeakPolarHBondContact CD2-O 2.97Å; G48-C51 PolarHBondContact O-N 3.06Å
52Y68Low68.8Low121 Ų121108 Ų10848%0.47557%0.565SS.*SBendtrans-77.2132.4176-59.6-84.9000109.8L47 N54L47-Y52 HydrophobicContact CB-CD1 4.42Å; L47-Y52 HydrophobicContact CB-CE1 4.01Å; L47-Y52 HydrophobicContact CD1-CD1 3.81Å; L47-Y52 HydrophobicContact CD1-CE1 3.75Å; L47-Y52 HydrophobicContact CD2-CD1 4.22Å; L47-Y52 HydrophobicContact CG-CD1 4.4Å; L47-Y52 HydrophobicContact CG-CE1 4.37Å; Y52-N54 WeakPolarHBondContact CB-OD1 3.22Å; Y52-N54 PolarHBondContact O-N 3.15Å
53D66.3Low69.2Low106 Ų106101.9 Ų101.957%0.56755%0.548SS*.  trans-7454.3170.9-57.8-41.4000111.2N55 E56 F57D53-N55 PolarHBondContact O-N 2.77Å; D53-N55 VanDerWaalsContact O-N 3.14Å; D53-E56 HydrophobicContact CB-CB 4.19Å; D53-E56 HydrophobicContact CB-CG 4.44Å; D53-E56 PolarHBondContact O-N 2.78Å; D53-F57 PolarHBondContact O-N 3.05Å
54N65.6Low69.8Low104 Ų104102.6 Ų102.656%0.55656%0.555SS**THydrogen-bonded Turntrans-61.4-20.5177.6-66.9-31.8000112.1Y52 S59Y52-N54 WeakPolarHBondContact CB-OD1 3.22Å; Y52-N54 PolarHBondContact O-N 3.15Å; N54-S59 WeakPolarHBondContact O-CB 3.01Å
55N68.4Low70.3Confident149 Ų149106.3 Ų106.380%0.79757%0.567SS**THydrogen-bonded Turntrans-75.2-34.9176.1-67.2-5.8000111.6D53 S59D53-N55 PolarHBondContact O-N 2.77Å; D53-N55 VanDerWaalsContact O-N 3.14Å; N55-S59 WeakPolarHBondContact O-CB 3.24Å; N55-S59 PolarHBondContact O-OG 2.84Å
56E68.8Low71.1Confident138 Ų138104.5 Ų104.565%0.64555%0.554SS**THydrogen-bonded Turntrans-93-48-177.9-61.1-174.3173.900111.3D53 Y62D53-E56 HydrophobicContact CB-CB 4.19Å; D53-E56 HydrophobicContact CB-CG 4.44Å; D53-E56 PolarHBondContact O-N 2.78Å; E56-Y62 VanDerWaalsContact O-CB 3.25Å; E56-Y62 WeakPolarHBondContact O-CB 3.44Å; E56-Y62 VanDerWaalsContact O-CD2 3.27Å; E56-Y62 WeakPolarHBondContact O-CD2 3.25Å
57F69.3Low71.7Confident126 Ų126105 Ų10555%0.55355%0.549SS*.SBendtrans-105.9133.9-175.8-127.5-92.5000111.1D53 S59 Y62D53-F57 PolarHBondContact O-N 3.05Å; F57-S59 PolarHBondContact O-N 3.14Å; F57-S59 VanDerWaalsContact O-N 3.15Å; F57-Y62 HydrophobicContact CD1-CE1 4.04Å; F57-Y62 HydrophobicContact CD1-CE2 4.49Å; F57-Y62 AromaticContact CD1-CZ 3.93Å; F57-Y62 AromaticContact CD2-CE2 3.96Å; F57-Y62 HydrophobicContact CD2-CE2 3.96Å; F57-Y62 HydrophobicContact CE1-CE1 4.01Å; F57-Y62 HydrophobicContact CE1-CE2 4.38Å; F57-Y62 AromaticContact CE1-CZ 3.63Å; F57-Y62 WeakPolarHBondContact CE1-OH 3.42Å; F57-Y62 AromaticContact CE2-CE2 3.83Å; F57-Y62 HydrophobicContact CE2-CE2 3.83Å; F57-Y62 AromaticContact CE2-CZ 3.88Å; F57-Y62 HydrophobicContact CG-CE1 4.49Å; F57-Y62 HydrophobicContact CG-CE2 4.31Å; F57-Y62 HydrophobicContact CZ-CE1 4.45Å; F57-Y62 HydrophobicContact CZ-CE2 4.07Å; F57-Y62 AromaticContact CZ-CZ 3.61Å; F57-Y62 WeakPolarHBondContact CZ-OH 3.36Å
58R69Low71.8Confident199 Ų199108.3 Ų108.375%0.75157%0.574SS**SBendtrans62.89.3-177.2-49.6177.464.9-171.50.1115N63R58-N63 PolarHBondContact O-ND2 3.16Å
59S80.3Confident71.8Confident26 Ų26113.3 Ų113.318%0.18259%0.59CS.*  trans-62161.6168.1750000110.6N54 N55 F57 V61 Y62 N63N54-S59 WeakPolarHBondContact O-CB 3.01Å; N55-S59 WeakPolarHBondContact O-CB 3.24Å; N55-S59 PolarHBondContact O-OG 2.84Å; F57-S59 PolarHBondContact O-N 3.14Å; F57-S59 VanDerWaalsContact O-N 3.15Å; S59-V61 PolarHBondContact O-N 2.88Å; S59-Y62 PolarHBondContact O-N 3.46Å; S59-Y62 WeakPolarHBondContact OG-CB 3.27Å; S59-Y62 PolarHBondContact OG-N 3.14Å; S59-Y62 VanDerWaalsContact OG-N 3.1Å; S59-N63 WeakPolarHBondContact O-CB 3.35Å; S59-N63 VanDerWaalsContact O-CG 3.24Å; S59-N63 PolarHBondContact O-N 3.23Å; S59-N63 PolarHBondContact O-ND2 2.95Å
60I79.3Confident72Confident140 Ų140111.1 Ų111.172%0.71858%0.578SS**Hα-helixtrans-58.2-39.5177.6-65.1170.9000110.2L64I60-L64 HydrophobicContact CG2-CD1 4.21Å; I60-L64 VanDerWaalsContact O-CG 3.31Å; I60-L64 WeakPolarHBondContact O-CG 3.38Å; I60-L64 PolarHBondContact O-N 3.39Å; I60-L64 VanDerWaalsContact O-N 3.1Å
61V81.7Confident71.9Confident90 Ų90118.9 Ų118.955%0.54559%0.586SS.*Hα-helixtrans-65.7-50.6178.4-178.40000110.8S59 N63 L64 E65S59-V61 PolarHBondContact O-N 2.88Å; V61-N63 VanDerWaalsContact C-N 3.29Å; V61-N63 PolarHBondContact O-N 2.74Å; V61-L64 WeakPolarHBondContact O-CB 2.95Å; V61-L64 PolarHBondContact O-N 3.29Å; V61-E65 PolarHBondContact O-N 3.32Å
62Y82.7Confident71.7Confident57 Ų57124.1 Ų124.122%0.22460%0.6CS.*Hα-helixtrans-56.1-42.7176.7175.6-91.4000112.7E56 F57 S59 L64 E65 T66E56-Y62 VanDerWaalsContact O-CB 3.25Å; E56-Y62 WeakPolarHBondContact O-CB 3.44Å; E56-Y62 VanDerWaalsContact O-CD2 3.27Å; E56-Y62 WeakPolarHBondContact O-CD2 3.25Å; F57-Y62 HydrophobicContact CD1-CE1 4.04Å; F57-Y62 HydrophobicContact CD1-CE2 4.49Å; F57-Y62 AromaticContact CD1-CZ 3.93Å; F57-Y62 AromaticContact CD2-CE2 3.96Å; F57-Y62 HydrophobicContact CD2-CE2 3.96Å; F57-Y62 HydrophobicContact CE1-CE1 4.01Å; F57-Y62 HydrophobicContact CE1-CE2 4.38Å; F57-Y62 AromaticContact CE1-CZ 3.63Å; F57-Y62 WeakPolarHBondContact CE1-OH 3.42Å; F57-Y62 AromaticContact CE2-CE2 3.83Å; F57-Y62 HydrophobicContact CE2-CE2 3.83Å; F57-Y62 AromaticContact CE2-CZ 3.88Å; F57-Y62 HydrophobicContact CG-CE1 4.49Å; F57-Y62 HydrophobicContact CG-CE2 4.31Å; F57-Y62 HydrophobicContact CZ-CE1 4.45Å; F57-Y62 HydrophobicContact CZ-CE2 4.07Å; F57-Y62 AromaticContact CZ-CZ 3.61Å; F57-Y62 WeakPolarHBondContact CZ-OH 3.36Å; S59-Y62 PolarHBondContact O-N 3.46Å; S59-Y62 WeakPolarHBondContact OG-CB 3.27Å; S59-Y62 PolarHBondContact OG-N 3.14Å; S59-Y62 VanDerWaalsContact OG-N 3.1Å; Y62-L64 VanDerWaalsContact C-N 3.31Å; Y62-L64 PolarHBondContact O-N 3.06Å; Y62-E65 PolarHBondContact O-N 3.03Å; Y62-T66 HydrophobicContact CE1-CG2 4.43Å; Y62-T66 WeakPolarHBondContact CE2-OG1 3.19Å; Y62-T66 VanDerWaalsContact O-CB 3.24Å; Y62-T66 WeakPolarHBondContact O-CB 3.48Å; Y62-T66 PolarHBondContact O-N 3.1Å; Y62-T66 PolarHBondContact O-OG1 3.1Å
63N79.5Confident71Confident79 Ų79121 Ų12142%0.42260%0.604SS.*Hα-helixtrans-69.6-28.1178.6-66.1-36.2000112.3R58 S59 V61 R67R58-N63 PolarHBondContact O-ND2 3.16Å; S59-N63 WeakPolarHBondContact O-CB 3.35Å; S59-N63 VanDerWaalsContact O-CG 3.24Å; S59-N63 PolarHBondContact O-N 3.23Å; S59-N63 PolarHBondContact O-ND2 2.95Å; V61-N63 VanDerWaalsContact C-N 3.29Å; V61-N63 PolarHBondContact O-N 2.74Å; N63-R67 WeakPolarHBondContact O-CB 3.49Å; N63-R67 PolarHBondContact O-N 3.31Å
64L78.8Confident70.4Confident110 Ų110126.6 Ų126.658%0.57662%0.619SS**Hα-helixtrans-74.1-38.6174.3-73.2169.1000111.5I60 V61 Y62I60-L64 HydrophobicContact CG2-CD1 4.21Å; I60-L64 VanDerWaalsContact O-CG 3.31Å; I60-L64 WeakPolarHBondContact O-CG 3.38Å; I60-L64 PolarHBondContact O-N 3.39Å; I60-L64 VanDerWaalsContact O-N 3.1Å; V61-L64 WeakPolarHBondContact O-CB 2.95Å; V61-L64 PolarHBondContact O-N 3.29Å; Y62-L64 VanDerWaalsContact C-N 3.31Å; Y62-L64 PolarHBondContact O-N 3.06Å
65E78.3Confident69.8Low151 Ų151126.3 Ų126.371%0.70663%0.631SS**Hα-helixtrans-75.5-40-179.5-69.1175.2176.400112.9V61 Y62V61-E65 PolarHBondContact O-N 3.32Å; Y62-E65 PolarHBondContact O-N 3.03Å
66T80.8Confident69.1Low77 Ų77127 Ų12747%0.47263%0.634SS.*Hα-helixtrans-87.8-17.7-175.1-43.20000112.3Y62 P68Y62-T66 HydrophobicContact CE1-CG2 4.43Å; Y62-T66 WeakPolarHBondContact CE2-OG1 3.19Å; Y62-T66 VanDerWaalsContact O-CB 3.24Å; Y62-T66 WeakPolarHBondContact O-CB 3.48Å; Y62-T66 PolarHBondContact O-N 3.1Å; Y62-T66 PolarHBondContact O-OG1 3.1Å; T66-P68 WeakPolarHBondContact O-CD 3.31Å
67R75.6Confident68.3Low164 Ų164126.6 Ų126.662%0.61965%0.646SS**SBendtrans-67123.2176.2-176.8175.7-160.1163.33.4107.9N63 E69N63-R67 WeakPolarHBondContact O-CB 3.49Å; N63-R67 PolarHBondContact O-N 3.31Å; R67-E69 HydrophobicContact CB-CG 4.49Å; R67-E69 HydrophobicContact CG-CG 4.04Å; R67-E69 PolarHBondContact O-N 3.03Å
68P65.6Low67.7Low130 Ų130124.3 Ų124.384%0.84465%0.651SS**  trans-71.282.9177.929.4-33.7000108.5T66T66-P68 WeakPolarHBondContact O-CD 3.31Å
69E65.4Low67Low133 Ų133126.5 Ų126.562%0.62166%0.659SS**  trans-85.3126.9168.1-62.7-161.3166.800108.1R67 Y71R67-E69 HydrophobicContact CB-CG 4.49Å; R67-E69 HydrophobicContact CG-CG 4.04Å; R67-E69 PolarHBondContact O-N 3.03Å; E69-Y71 PolarHBondContact O-N 3.08Å; E69-Y71 VanDerWaalsContact O-N 3.16Å
70S63.1Low65.8Low88 Ų88132.9 Ų132.962%0.61570%0.697SS**  trans-64.7117.3171178.70000108.5K72 G73S70-K72 VanDerWaalsContact CB-O 3.27Å; S70-K72 WeakPolarHBondContact CB-O 3.27Å; S70-K72 CarbonylContact O-C 3.32Å; S70-K72 PolarHBondContact O-N 3.01Å; S70-K72 VanDerWaalsContact O-N 3.08Å; S70-K72 PolarHBondContact OG-N 2.58Å; S70-K72 PolarHBondContact OG-O 3.46Å; S70-G73 PolarHBondContact O-N 3.42Å
71Y59.4Low65.2Low239 Ų239128.8 Ų128.894%0.93769%0.69SS**SBendtrans-53.9-29.7174.3-168.3-97.4000111.7E69E69-Y71 PolarHBondContact O-N 3.08Å; E69-Y71 VanDerWaalsContact O-N 3.16Å
72K58.9Low64.2Low180 Ų180130.3 Ų130.378%0.78370%0.7SS**SBendtrans-90.393.3166.7-60.5177.8-178.7-179.80107S70S70-K72 VanDerWaalsContact CB-O 3.27Å; S70-K72 WeakPolarHBondContact CB-O 3.27Å; S70-K72 CarbonylContact O-C 3.32Å; S70-K72 PolarHBondContact O-N 3.01Å; S70-K72 VanDerWaalsContact O-N 3.08Å; S70-K72 PolarHBondContact OG-N 2.58Å; S70-K72 PolarHBondContact OG-O 3.46Å
73G53.8Low63.2Low54 Ų54138 Ų13856%0.55773%0.728SS**  trans-48159.817800000113S70 A75S70-G73 PolarHBondContact O-N 3.42Å; G73-A75 PolarHBondContact O-N 2.99Å
74Y54.5Low62.4Low225 Ų225142 Ų14288%0.88274%0.742SS**  trans-40.9110.9177.8-71.2-88000111.7L76Y74-L76 PolarHBondContact O-N 2.72Å; Y74-L76 VanDerWaalsContact O-N 3.1Å
75A52.4Low61.8Low98 Ų98142 Ų14281%0.8175%0.746SS**SBendtrans-79.513.8-167.100000114.7G73G73-A75 PolarHBondContact O-N 2.99Å
76L53.6Low61.2Low163 Ų163140.2 Ų140.285%0.85375%0.748SS**SBendtrans-126.195-177-63174.6000109.4Y74Y74-L76 PolarHBondContact O-N 2.72Å; Y74-L76 VanDerWaalsContact O-N 3.1Å
77S51.3Low60.4Low129 Ų129143.8 Ų143.890%0.90276%0.758SS**SBendtrans75.439.7164.9-167.10000118.6
78A58.2Low59.9Low78 Ų78144.5 Ų144.565%0.64577%0.765SS**  trans-128.9107.317000000111.9T80A78-T80 PolarHBondContact O-N 3.25Å
79R54Low59.8Low245 Ų245144 Ų14493%0.92576%0.755SS**  trans-4.5106.6166.7-60178-178.2180-0.6114G81R79-G81 PolarHBondContact O-N 2.94Å
80T55.9Low60Low160 Ų160143.8 Ų143.898%0.98276%0.763SS**  trans-65.178.1167.329.60000110.3A78A78-T80 PolarHBondContact O-N 3.25Å
81G65.3Low60.6Low55 Ų55147 Ų14757%0.56777%0.765SS**SBendtrans-139.4146.4165.700000107.9R79 R83R79-G81 PolarHBondContact O-N 2.94Å; G81-R83 PolarHBondContact O-N 3.3Å
82T61.7Low61.6Low122 Ų122138 Ų13875%0.74874%0.737SS**  trans-53.9113.6171.235.80000108.7F84T82-F84 PolarHBondContact O-N 3.49Å; T82-F84 VanDerWaalsContact O-N 3.17Å
83R62.1Low62.5Low219 Ų219131.7 Ų131.783%0.82672%0.715SS**SBendtrans-61.4-28.3-172.5-160.6-179.9-170.3-122.82.5112.3G81G81-R83 PolarHBondContact O-N 3.3Å
84F60.8Low63.7Low161 Ų161134.6 Ų134.671%0.70672%0.724SS**SBendtrans-126.3119.6174.3-57.7-67.3000108.4T82T82-F84 PolarHBondContact O-N 3.49Å; T82-F84 VanDerWaalsContact O-N 3.17Å
85T66.5Low64.9Low110 Ų110131.2 Ų131.268%0.67572%0.716SS**  trans-67.9142.1165.449.80000108F87T85-F87 PolarHBondContact O-N 3.1Å
86P66.7Low66.3Low114 Ų114133.1 Ų133.174%0.7471%0.708SS**  trans-56.1112.1173.822.4-31.7000108.1K88P86-K88 PolarHBondContact O-N 3.17Å
87F63.2Low67.7Low153 Ų153133.2 Ų133.267%0.67170%0.699SS**  trans-69.996.7-174-175.7-117.6000108.5T85 L89T85-F87 PolarHBondContact O-N 3.1Å; F87-L89 HydrophobicContact CD1-CD1 3.28Å; F87-L89 HydrophobicContact CD1-CG 3.68Å; F87-L89 HydrophobicContact CE1-CB 4.42Å; F87-L89 HydrophobicContact CE1-CD1 3.35Å; F87-L89 HydrophobicContact CE1-CD2 4.08Å; F87-L89 HydrophobicContact CE1-CG 3.29Å; F87-L89 HydrophobicContact CZ-CG 4.19Å; F87-L89 PolarHBondContact O-N 2.96Å; F87-L89 VanDerWaalsContact O-N 3.08Å
88K65.7Low69.4Low179 Ų179133.2 Ų133.278%0.77868%0.684SS**  trans-71.499.5167-63.8-176.1-177.7-177.70106.7P86 T90P86-K88 PolarHBondContact O-N 3.17Å; K88-T90 PolarHBondContact O-N 2.99Å
89L63.3Low70.4Confident119 Ų119138.8 Ų138.862%0.62369%0.689SS**  trans-63.681.7168.2-93.8110.3000109F87F87-L89 HydrophobicContact CD1-CD1 3.28Å; F87-L89 HydrophobicContact CD1-CG 3.68Å; F87-L89 HydrophobicContact CE1-CB 4.42Å; F87-L89 HydrophobicContact CE1-CD1 3.35Å; F87-L89 HydrophobicContact CE1-CD2 4.08Å; F87-L89 HydrophobicContact CE1-CG 3.29Å; F87-L89 HydrophobicContact CZ-CG 4.19Å; F87-L89 PolarHBondContact O-N 2.96Å; F87-L89 VanDerWaalsContact O-N 3.08Å
90T70.3Confident71.8Confident129 Ų129131.4 Ų131.479%0.79167%0.668SS**  trans-77.3-7.8161.547.50000111.5K88K88-T90 PolarHBondContact O-N 2.99Å
91K74.8Confident73Confident154 Ų154131.6 Ų131.667%0.6766%0.657SS**SBendtrans-91.8122.3176.7-64.7-177.6-177.4179.50109.1
92P79.8Confident73.9Confident52 Ų52133.4 Ų133.434%0.33866%0.661SS.*PPolyproline II helixtrans-61.4149.117526.4-32.2000110Q96 Y97P92-Q96 VanDerWaalsContact C-OE1 3.31Å; P92-Q96 HydrophobicContact CB-CB 3.91Å; P92-Q96 HydrophobicContact CB-CG 4.38Å; P92-Y97 HydrophobicContact CB-CE2 4.49Å; P92-Y97 HydrophobicContact CG-CE1 4.3Å; P92-Y97 HydrophobicContact CG-CE2 3.85Å; P92-Y97 WeakPolarHBondContact CG-OH 3.41Å
93S78.2Confident74.9Confident47 Ų47134.6 Ų134.633%0.32966%0.656SS.*PPolyproline II helixtrans-60.7152.1179.673.10000110.2Q95 Q96 Y97S93-Q95 PolarHBondContact O-N 2.92Å; S93-Q96 WeakPolarHBondContact O-CB 3.27Å; S93-Q96 PolarHBondContact O-N 3.21Å; S93-Q96 PolarHBondContact OG-N 3.48Å; S93-Y97 WeakPolarHBondContact O-CD2 3.49Å
94P78.6Confident75.8Confident114 Ų114130.3 Ų130.374%0.7466%0.66SS**Hα-helixtrans-49.9-31.5174.4-28.936000113.1Y97 Q98P94-Y97 WeakPolarHBondContact O-CB 3.41Å; P94-Y97 PolarHBondContact O-N 2.9Å; P94-Q98 PolarHBondContact O-N 3.43Å
95Q79.6Confident76.5Confident154 Ų154130.1 Ų130.172%0.7265%0.654SS**Hα-helixtrans-71.4-26.7179.4-162.7157.99.900113.5S93 Y97 Q98S93-Q95 PolarHBondContact O-N 2.92Å; Q95-Y97 PolarHBondContact O-N 3.08Å; Q95-Q98 PolarHBondContact O-N 2.99Å
96Q82.2Confident77.3Confident138 Ų138131.5 Ų131.565%0.64566%0.662SS**Hα-helixtrans-70.1-21.6172.2-74174.5-62.800112.6P92 S93P92-Q96 VanDerWaalsContact C-OE1 3.31Å; P92-Q96 HydrophobicContact CB-CB 3.91Å; P92-Q96 HydrophobicContact CB-CG 4.38Å; S93-Q96 WeakPolarHBondContact O-CB 3.27Å; S93-Q96 PolarHBondContact O-N 3.21Å; S93-Q96 PolarHBondContact OG-N 3.48Å
97Y84.1Confident77.5Confident166 Ų166131.5 Ų131.565%0.65166%0.662SS**Hα-helixtrans-82.8-19.5172-61.9-80.8000112.8P92 S93 P94 Q95P92-Y97 HydrophobicContact CB-CE2 4.49Å; P92-Y97 HydrophobicContact CG-CE1 4.3Å; P92-Y97 HydrophobicContact CG-CE2 3.85Å; P92-Y97 WeakPolarHBondContact CG-OH 3.41Å; S93-Y97 WeakPolarHBondContact O-CD2 3.49Å; P94-Y97 WeakPolarHBondContact O-CB 3.41Å; P94-Y97 PolarHBondContact O-N 2.9Å; Q95-Y97 PolarHBondContact O-N 3.08Å
98Q85.9Confident78.1Confident129 Ų129131.7 Ų131.760%0.60366%0.663SS**SBendtrans-82.4127.8-179.5-171.8170.2-14.400110.2P94 Q95P94-Q98 PolarHBondContact O-N 3.43Å; Q95-Q98 PolarHBondContact O-N 2.99Å
99R80.2Confident78.4Confident195 Ų195130.6 Ų130.674%0.73666%0.66SS**PPolyproline II helixtrans-73.7140173.3-65.1179.7178.9167.5-2.2109.7Q101R99-Q101 PolarHBondContact O-N 3.43Å
100D82.1Confident78.7Confident90 Ų90128.1 Ų128.148%0.48166%0.664SS.*PPolyproline II helixtrans-58.1123.1173-177.810.6000111S102 R105D100-S102 VanDerWaalsContact OD1-CB 3.27Å; D100-S102 WeakPolarHBondContact OD1-CB 3.35Å; D100-S102 PolarHBondContact OD1-N 3.31Å; D100-S102 PolarHBondContact OD1-OG 3.23Å; D100-S102 PolarHBondContact OD2-OG 3.31Å; D100-R105 PolarHBondContact O-NH2 3.21Å
101Q81.1Confident78.9Confident163 Ų163133 Ų13376%0.76267%0.668SS**  trans-101.2-0.9-179.5-63.8-166.9-4.900113.1R99 K103R99-Q101 PolarHBondContact O-N 3.43Å; Q101-K103 PolarHBondContact O-N 2.89Å
102S85.6Confident78.9Confident93 Ų93128.1 Ų128.165%0.6566%0.657SS**SBendtrans-65.2-22.6-179.364.30000113.5D100D100-S102 VanDerWaalsContact OD1-CB 3.27Å; D100-S102 WeakPolarHBondContact OD1-CB 3.35Å; D100-S102 PolarHBondContact OD1-N 3.31Å; D100-S102 PolarHBondContact OD1-OG 3.23Å; D100-S102 PolarHBondContact OD2-OG 3.31Å
103K82.8Confident78.6Confident148 Ų148130.4 Ų130.464%0.64367%0.671SS**SBendtrans-98.3124.9-178-60.3-178.2-176-1800110.6Q101 R105Q101-K103 PolarHBondContact O-N 2.89Å; K103-R105 PolarHBondContact O-N 2.83Å
104S79.9Confident78.4Confident129 Ų129138.3 Ų138.390%0.90270%0.7SS**  trans-57.9135.1168179.30000110
105R76.9Confident78Confident156 Ų156133.9 Ų133.959%0.58968%0.675SS**  trans-124.4141.8178.1-68.1-178.5-176.5171.15109.4D100 K103 P107D100-R105 PolarHBondContact O-NH2 3.21Å; K103-R105 PolarHBondContact O-N 2.83Å; R105-P107 WeakPolarHBondContact O-CD 3.35Å
106V81.6Confident77.4Confident140 Ų140129.4 Ų129.485%0.84866%0.661SS**PPolyproline II helixtrans-67.2119168.4-177.50000107.3F108V106-F108 PolarHBondContact O-N 3.35Å
107P71.8Confident76.6Confident114 Ų114132.9 Ų132.974%0.7467%0.67SS**PPolyproline II helixtrans-59.613117622.8-30.4000109R105 H109R105-P107 WeakPolarHBondContact O-CD 3.35Å; P107-H109 PolarHBondContact O-N 2.79Å
108F76.3Confident76Confident157 Ų157131.1 Ų131.169%0.68967%0.667SS**PPolyproline II helixtrans-57.1132.4174.2-173.2-93.8000108.8V106 G110V106-F108 PolarHBondContact O-N 3.35Å; F108-G110 PolarHBondContact O-N 3.32Å
109H71Confident75.1Confident155 Ų155133.1 Ų133.172%0.71867%0.671SS**  trans-59108.5179.144.6-87.4000108.6P107P107-H109 PolarHBondContact O-N 2.79Å
110G70.3Confident74.3Confident68 Ų68132 Ų13270%0.70167%0.671SS**PPolyproline II helixtrans-74.7139.7-154.600000114.3F108F108-G110 PolarHBondContact O-N 3.32Å
111R73.6Confident73.1Confident230 Ų230135.8 Ų135.887%0.86868%0.683SS**PPolyproline II helixtrans-73.4141.2145.3-75.7-173.4-80.4-131-1.2107.7
112A75.5Confident72.1Confident53 Ų53136.4 Ų136.444%0.43868%0.684SS.*PPolyproline II helixtrans-56134.4176.900000109.1S116 Y117A112-S116 WeakPolarHBondContact CB-OG 3.24Å; A112-Y117 HydrophobicContact CB-CE2 4.09Å
113P74.4Confident70.7Confident99 Ų99138.6 Ų138.664%0.64369%0.687SS**PPolyproline II helixtrans-59150.2-178.223.1-31.8000110.2G115 S116P113-G115 PolarHBondContact O-N 2.79Å; P113-S116 VanDerWaalsContact O-CB 3.27Å; P113-S116 WeakPolarHBondContact O-CB 3.44Å; P113-S116 PolarHBondContact O-N 3.22Å; P113-S116 PolarHBondContact O-OG 3.05Å
114F72.8Confident69.3Low213 Ų213136 Ų13693%0.93469%0.686SS**THydrogen-bonded Turntrans-55.5124.5178.1-164.9-94.1000109.6
115G70.3Confident68Low21 Ų21139.2 Ų139.222%0.21668%0.684CS.*THydrogen-bonded Turntrans87.28.9-175.600000116P113 Y117 E118P113-G115 PolarHBondContact O-N 2.79Å; G115-Y117 VanDerWaalsContact C-N 3.3Å; G115-E118 PolarHBondContact O-N 3.39Å
116S68.1Low66.8Low60 Ų60138.9 Ų138.942%0.4269%0.693SS.*THydrogen-bonded Turntrans-66.8-29.5169.948.10000113.4A112 P113 E118A112-S116 WeakPolarHBondContact CB-OG 3.24Å; P113-S116 VanDerWaalsContact O-CB 3.27Å; P113-S116 WeakPolarHBondContact O-CB 3.44Å; P113-S116 PolarHBondContact O-N 3.22Å; P113-S116 PolarHBondContact O-OG 3.05Å; S116-E118 VanDerWaalsContact C-N 3.31Å
117Y65.7Low65Low211 Ų211136.5 Ų136.583%0.82768%0.679SS**THydrogen-bonded Turntrans-84.3-5174.7-65.5-75.4000113.5A112 G115 Y119A112-Y117 HydrophobicContact CB-CE2 4.09Å; G115-Y117 VanDerWaalsContact C-N 3.3Å; Y117-Y119 PolarHBondContact O-N 3.12Å
118E70.2Confident63.8Low130 Ų130136.6 Ų136.661%0.60769%0.69SS**SBendtrans-75.6121.9176.3-71.1-177.7-174.300109.8G115 S116 K120G115-E118 PolarHBondContact O-N 3.39Å; S116-E118 VanDerWaalsContact C-N 3.31Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.16Å
119Y66.4Low62.4Low171 Ų171135.1 Ų135.167%0.67169%0.688SS**  trans-67.790.4176.5-174.4-92.9000109.7Y117 F121 K122Y117-Y119 PolarHBondContact O-N 3.12Å; Y119-F121 VanDerWaalsContact CE1-C 3.41Å; Y119-F121 WeakPolarHBondContact CE1-O 3.34Å; Y119-F121 PolarHBondContact O-N 2.98Å; Y119-K122 HydrophobicContact CD1-CG 3.73Å; Y119-K122 HydrophobicContact CE1-CB 4.07Å; Y119-K122 HydrophobicContact CE1-CG 3.34Å
120K63.3Low61.1Low170 Ų170134.5 Ų134.574%0.73969%0.69SS**  trans-73.6115174.9-59.6-169.7-174-175.80108.1E118E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.16Å
121F58.1Low60.1Low170 Ų170133.7 Ų133.775%0.74667%0.67SS**  trans76.498.8178.8-80.8-96.5000117.4Y119 L123Y119-F121 VanDerWaalsContact CE1-C 3.41Å; Y119-F121 WeakPolarHBondContact CE1-O 3.34Å; Y119-F121 PolarHBondContact O-N 2.98Å; F121-L123 PolarHBondContact O-N 2.95Å
122K58.7Low59Low177 Ų177128.5 Ų128.577%0.7767%0.666SS**  trans-73.7102.5148.8-71.3-173.2-179.4-173.50107.3Y119Y119-K122 HydrophobicContact CD1-CG 3.73Å; Y119-K122 HydrophobicContact CE1-CB 4.07Å; Y119-K122 HydrophobicContact CE1-CG 3.34Å
123L57.3Low57.7Low139 Ų139129.9 Ų129.973%0.72866%0.66SS**  trans-54.8127.8163-107.685.4000107.6F121 K125F121-L123 PolarHBondContact O-N 2.95Å; L123-K125 PolarHBondContact O-N 2.86Å
124P52.7Low56.6Low94 Ų94131.2 Ų131.261%0.6166%0.661SS**  trans-61123.7173.923.3-30.1000108.5N126P124-N126 PolarHBondContact O-N 3.14Å
125K53.6Low55.5Low196 Ų196124.9 Ų124.985%0.85264%0.643SS**SBendtrans-646.3-179.6-78.4-177.1174.9-178.90114.6L123L123-K125 PolarHBondContact O-N 2.86Å
126N51.3Low54.4Low148 Ų148130.5 Ų130.579%0.79168%0.676SS**  trans-146.384.5177.9-94.6-37.3000111.1P124P124-N126 PolarHBondContact O-N 3.14Å
127T43.8Very low53.6Low91 Ų91131.2 Ų131.256%0.55869%0.693SS**SBendtrans-136.8141.3142.423.90000106L129T127-L129 PolarHBondContact O-N 3.04Å
128A45.6Very low53Low116 Ų116126.6 Ų126.696%0.95968%0.68SS**SBendtrans-68.854.2-176.600000112.9
129L47.4Very low52.4Low125 Ų125129.5 Ų129.565%0.65469%0.687SS**  trans-124.318.5175.1-114.5146.5000109.9T127 N131T127-L129 PolarHBondContact O-N 3.04Å; L129-N131 PolarHBondContact O-N 3.36Å
130N45.1Very low52.1Low142 Ų142126 Ų12676%0.75968%0.676SS**  trans-69.772.6164.7-73.9-25.2000109.3
131N49.3Very low51.9Low51 Ų51126 Ų12627%0.27368%0.678SS.*  trans-118.1112.6155.1-16531.9000106.9L129 R133 R147L129-N131 PolarHBondContact O-N 3.36Å; N131-R133 PolarHBondContact O-N 3.2Å; N131-R147 PolarHBondContact ND2-NH2 3.04Å
132P49.5Very low52Low121 Ų121124.7 Ų124.779%0.78668%0.678SS**SBendtrans-66.719-176.125.4-33.2000114.7
133R48.3Very low52.2Low82 Ų82119.7 Ų119.731%0.30966%0.662SS.*  trans-12328.1-166.3-62.5-174.1176.4155.8-7.9114.2N131 M138 E140N131-R133 PolarHBondContact O-N 3.2Å; R133-M138 HydrophobicContact CB-CB 4.03Å; R133-M138 HydrophobicContact CG-CB 4.33Å; R133-E140 IonicContact CZ-OE1 3.84Å; R133-E140 IonicContact CZ-OE2 2.66Å; R133-E140 VanDerWaalsContact NH1-CD 3.33Å; R133-E140 IonicContact NH1-OE1 2.8Å; R133-E140 IonicContact NH1-OE2 2.92Å; R133-E140 PolarHBondContact NH1-OE2 2.92Å; R133-E140 IonicContact NH2-OE1 2.72Å; R133-E140 PolarHBondContact NH2-OE1 2.66Å; R133-E140 IonicContact NH2-OE2 3.42Å; R133-E140 PolarHBondContact NH2-OE2 2.8Å
134L50.4Low52.3Low128 Ų128123.3 Ų123.367%0.6767%0.672SS**  trans-88.83.3173.5-92.881.7000113.9
135S49.8Very low52.5Low80 Ų80121.9 Ų121.956%0.55966%0.662SS**SBendtrans-68.8134.1167.6-103.30000110.2G137 M138S135-G137 PolarHBondContact O-N 2.75Å; S135-M138 PolarHBondContact O-N 2.86Å; S135-M138 VanDerWaalsContact O-N 3.16Å
136P49Very low52.6Low139 Ų139120.9 Ų120.990%0.90367%0.666SS**THydrogen-bonded Turntrans-52.4112170.8-22.932.5000109.6
137G50.6Low52.9Low75 Ų75119.4 Ų119.477%0.77365%0.649SS**THydrogen-bonded Turntrans116.4-5-179.100000116.9S135S135-G137 PolarHBondContact O-N 2.75Å
138M52.8Low53.6Low113 Ų113124.3 Ų124.356%0.55766%0.663SS**  trans-101.322.1-177.4-72.5-91.5147.500114.4R133 S135 E140R133-M138 HydrophobicContact CB-CB 4.03Å; R133-M138 HydrophobicContact CG-CB 4.33Å; S135-M138 PolarHBondContact O-N 2.86Å; S135-M138 VanDerWaalsContact O-N 3.16Å; M138-E140 PolarHBondContact O-N 2.86Å; M138-E140 VanDerWaalsContact O-N 3.12Å
139Y57.2Low53.9Low192 Ų192124 Ų12475%0.75365%0.648SS**  trans-75.499.1-178.8-104.8-91.6000111.8
140E59.5Low54.4Low97 Ų97124.4 Ų124.445%0.45365%0.65SS.*  trans-78.2118.5162.8-85.1-176.8-167.300110.1R133 M138R133-E140 IonicContact CZ-OE1 3.84Å; R133-E140 IonicContact CZ-OE2 2.66Å; R133-E140 VanDerWaalsContact NH1-CD 3.33Å; R133-E140 IonicContact NH1-OE1 2.8Å; R133-E140 IonicContact NH1-OE2 2.92Å; R133-E140 PolarHBondContact NH1-OE2 2.92Å; R133-E140 IonicContact NH2-OE1 2.72Å; R133-E140 PolarHBondContact NH2-OE1 2.66Å; R133-E140 IonicContact NH2-OE2 3.42Å; R133-E140 PolarHBondContact NH2-OE2 2.8Å; M138-E140 PolarHBondContact O-N 2.86Å; M138-E140 VanDerWaalsContact O-N 3.12Å
141H59.1Low54.9Low169 Ų169126.5 Ų126.578%0.78265%0.647SS**SBendtrans-90.8-5.4-177.941.2-85000113.6
142I60.3Low55.3Low144 Ų144130.3 Ų130.374%0.73868%0.675SS**SBendtrans-93-26.4-170.6-56.8169.7000111.7K144I142-K144 PolarHBondContact O-N 2.77Å
143T63.8Low55.4Low72 Ų72131.6 Ų131.644%0.44267%0.672SS.*SBendtrans-83111.7-178.527.10000111.5T145T143-T145 VanDerWaalsContact C-N 3.33Å; T143-T145 PolarHBondContact O-N 3.33Å
144K58.9Low55.9Low215 Ų215131.7 Ų131.794%0.93569%0.685SS**  trans-63.593.5167.4-76.6-176.2-1801770109.1I142I142-K144 PolarHBondContact O-N 2.77Å
145T58.3Low56.2Low64 Ų64135.2 Ų135.239%0.39370%0.695SS.*  trans-90.9139.3169.252.50000108.4T143 R147T143-T145 VanDerWaalsContact C-N 3.33Å; T143-T145 PolarHBondContact O-N 3.33Å; T145-R147 PolarHBondContact O-N 2.72Å; T145-R147 VanDerWaalsContact OG1-CD 3.24Å; T145-R147 WeakPolarHBondContact OG1-CD 3.12Å; T145-R147 WeakPolarHBondContact OG1-CG 3.36Å; T145-R147 PolarHBondContact OG1-NE 2.83Å
146N54.6Low57Low175 Ų175133.9 Ų133.994%0.93669%0.694SS**  trans-69.141.7172.8-88.5-56000111.8K148N146-K148 PolarHBondContact O-N 3.09Å; N146-K148 VanDerWaalsContact O-N 3.14Å
147R57.9Low57.5Low116 Ų116136.7 Ų136.744%0.43869%0.692SS.*  trans-78.197.2173.7-67178.2-166.5149.113.5106.6N131 T145 V149N131-R147 PolarHBondContact ND2-NH2 3.04Å; T145-R147 PolarHBondContact O-N 2.72Å; T145-R147 VanDerWaalsContact OG1-CD 3.24Å; T145-R147 WeakPolarHBondContact OG1-CD 3.12Å; T145-R147 WeakPolarHBondContact OG1-CG 3.36Å; T145-R147 PolarHBondContact OG1-NE 2.83Å; R147-V149 PolarHBondContact O-N 2.84Å
148K57.9Low58.3Low195 Ų195136.8 Ų136.885%0.84868%0.679SS**  trans-61.696.4157.6-66.7-176.6-179.6-1780105.9N146 I150N146-K148 PolarHBondContact O-N 3.09Å; N146-K148 VanDerWaalsContact O-N 3.14Å; K148-I150 PolarHBondContact O-N 2.97Å
149V53.3Low59.1Low108 Ų108135.8 Ų135.866%0.65568%0.675SS**  trans-66.6105175.7176.40000106.3R147R147-V149 PolarHBondContact O-N 2.84Å
150I56Low59.7Low134 Ų134134.2 Ų134.269%0.68767%0.668SS**  trans-89.8115173.8-58.7172.3000106.1K148K148-I150 PolarHBondContact O-N 2.97Å
151W56.5Low60.2Low186 Ų186133.9 Ų133.971%0.70568%0.677SS**  trans-66.7136.3173.5-68.193.5000109.3M153 C154W151-M153 PolarHBondContact O-N 3.31Å; W151-C154 PolarHBondContact O-N 2.72Å; W151-C154 PolarHBondContact O-SG 2.96Å; W151-C154 VanDerWaalsContact O-SG 3.39Å
152P58.7Low60.7Low131 Ų131133.2 Ų133.285%0.85167%0.672SS**THydrogen-bonded Turntrans-64.2-12176.424.9-32.4000112.9
153M51.3Low61.2Low149 Ų149130.7 Ų130.773%0.73466%0.659SS**THydrogen-bonded Turntrans-93.533.9173.8-66177.359.100113.2W151 F155W151-M153 PolarHBondContact O-N 3.31Å; M153-F155 HydrophobicContact CE-CE2 4.43Å; M153-F155 PolarHBondContact O-N 3.21Å
154C58.3Low61.7Low84 Ų84133.5 Ų133.557%0.56868%0.678SS**  trans-79.598.3163.5-68.20000108.1W151 G156W151-C154 PolarHBondContact O-N 2.72Å; W151-C154 PolarHBondContact O-SG 2.96Å; W151-C154 VanDerWaalsContact O-SG 3.39Å; C154-G156 PolarHBondContact O-N 2.93Å
155F55.7Low62.2Low202 Ų202129.6 Ų129.689%0.88666%0.664SS**  trans-68.446.1172-77.5-87.3000112.5M153M153-F155 HydrophobicContact CE-CE2 4.43Å; M153-F155 PolarHBondContact O-N 3.21Å
156G68.3Low62.7Low52 Ų52134.4 Ų134.454%0.53669%0.686SS.*SBendtrans-112.6161.2172.600000110.8C154 P158C154-G156 PolarHBondContact O-N 2.93Å; G156-P158 WeakPolarHBondContact O-CD 3.27Å
157K58.5Low63.5Low198 Ų198133.6 Ų133.686%0.86168%0.676SS**  trans-61.6122.5170.9-67.2-179.8179.8178.20107.7
158P66.6Low63.9Low76 Ų76137.3 Ų137.349%0.49470%0.696SS.*  trans-61.2152176.225.2-32.3000109.9G156 W160G156-P158 WeakPolarHBondContact O-CD 3.27Å; P158-W160 VanDerWaalsContact C-N 3.32Å; P158-W160 HydrophobicContact CG-CD2 4.36Å; P158-W160 HydrophobicContact CG-CH2 4.1Å; P158-W160 HydrophobicContact CG-CZ2 3.67Å; P158-W160 PolarHBondContact O-N 3.28Å; P158-W160 PolarHBondContact O-NE1 2.87Å
159D70.6Confident64.2Low92 Ų92136.5 Ų136.549%0.49269%0.692SS.*  trans-65.192.8172.4-94.5-25.3000109.5S161 K162D159-S161 PolarHBondContact O-N 2.69Å; D159-S161 VanDerWaalsContact O-N 3.09Å; D159-K162 HydrophobicContact CB-CD 3.83Å; D159-K162 HydrophobicContact CB-CG 4.07Å; D159-K162 PolarHBondContact O-N 3.26Å; D159-K162 WeakPolarHBondContact OD2-CE 3.09Å; D159-K162 IonicContact OD2-NZ 3.05Å; D159-K162 PolarHBondContact OD2-NZ 3.35Å
160W68.7Low64.3Low160 Ų160136.8 Ų136.861%0.60669%0.694SS**THydrogen-bonded Turntrans-63.1-12.9178.4-61101.6000113.4P158 K162 L163 Q165P158-W160 VanDerWaalsContact C-N 3.32Å; P158-W160 HydrophobicContact CG-CD2 4.36Å; P158-W160 HydrophobicContact CG-CH2 4.1Å; P158-W160 HydrophobicContact CG-CZ2 3.67Å; P158-W160 PolarHBondContact O-N 3.28Å; P158-W160 PolarHBondContact O-NE1 2.87Å; W160-K162 VanDerWaalsContact C-N 3.33Å; W160-L163 HydrophobicContact CE3-CD1 3.76Å; W160-L163 HydrophobicContact CZ3-CD1 3.93Å; W160-Q165 PolarHBondContact O-NE2 2.78Å
161S70.8Confident64.3Low90 Ų90136.6 Ų136.663%0.62970%0.699SS**THydrogen-bonded Turntrans-72.6-22.9172.8550000113.5D159D159-S161 PolarHBondContact O-N 2.69Å; D159-S161 VanDerWaalsContact O-N 3.09Å
162K70.4Confident64.4Low155 Ų155135.8 Ų135.867%0.67470%0.701SS**SBendtrans-86.7-17.5-179.3-67.1174.5-178.2151.60113.2D159 W160D159-K162 HydrophobicContact CB-CD 3.83Å; D159-K162 HydrophobicContact CB-CG 4.07Å; D159-K162 PolarHBondContact O-N 3.26Å; D159-K162 WeakPolarHBondContact OD2-CE 3.09Å; D159-K162 IonicContact OD2-NZ 3.05Å; D159-K162 PolarHBondContact OD2-NZ 3.35Å; W160-K162 VanDerWaalsContact C-N 3.33Å
163L70.7Confident64Low91 Ų91135.9 Ų135.948%0.47670%0.698SS.*SBendtrans-81.4143174.6-64.2176.4000109.1W160 Q165W160-L163 HydrophobicContact CE3-CD1 3.76Å; W160-L163 HydrophobicContact CZ3-CD1 3.93Å; L163-Q165 PolarHBondContact O-N 2.99Å
164P72.9Confident64.2Low130 Ų130134.2 Ų134.284%0.84470%0.697SS**  trans-59.4108.8174.624.5-32.3000108.9
165Q69.9Low64.2Low134 Ų134138 Ų13863%0.62671%0.706SS**  trans-80.6128.5177.3-66.6-173.5-0.500108.6W160 L163 E167W160-Q165 PolarHBondContact O-NE2 2.78Å; L163-Q165 PolarHBondContact O-N 2.99Å; Q165-E167 PolarHBondContact O-N 3.29Å
166L68.8Low64Low164 Ų164134.4 Ų134.486%0.85970%0.703SS**  trans-59.6126.9170.7-169.377.4000108.2K168L166-K168 PolarHBondContact O-N 3.18Å
167E71.6Confident63.5Low158 Ų158134.2 Ų134.274%0.73870%0.696SS**  trans-53.7115.2174-71.3-176.2172.400108.9Q165 K169Q165-E167 PolarHBondContact O-N 3.29Å; E167-K169 PolarHBondContact O-N 2.89Å
168K67.3Low64Low195 Ų195130.6 Ų130.685%0.84869%0.686SS**  trans-6986.3175.5-66.2-179.2-176.8176.60107.5L166 T170L166-K168 PolarHBondContact O-N 3.18Å; K168-T170 PolarHBondContact O-N 2.99Å
169K63.8Low64.6Low178 Ų178134.4 Ų134.477%0.77469%0.692SS**  trans-62.6107.4166.1-68.2-177.5179.3179.50105.8E167 V171E167-K169 PolarHBondContact O-N 2.89Å; K169-V171 PolarHBondContact O-N 2.7Å
170T54.8Low65Low113 Ų113135.1 Ų135.169%0.69369%0.694SS**  trans-49.5120.417050.90000106.6K168 K172K168-T170 PolarHBondContact O-N 2.99Å; T170-K172 PolarHBondContact O-N 3.06Å
171V56.1Low65.6Low130 Ų130133.7 Ų133.779%0.78869%0.692SS**  trans-63.487.6169.7177.90000105.1K169 V173K169-V171 PolarHBondContact O-N 2.7Å; V171-V173 VanDerWaalsContact C-N 3.32Å; V171-V173 PolarHBondContact O-N 2.99Å
172K58.4Low66.2Low169 Ų169133.7 Ų133.774%0.73569%0.688SS**  trans-60110.8159.5-69.4-165.1177.5-173.10102.7T170 T174T170-K172 PolarHBondContact O-N 3.06Å; K172-T174 PolarHBondContact O-N 2.71Å
173V51.2Low67.1Low133 Ų133133 Ų13381%0.80669%0.685SS**  trans-62.982.8170.6177.30000105.3V171 E175V171-V173 VanDerWaalsContact C-N 3.32Å; V171-V173 PolarHBondContact O-N 2.99Å; V173-E175 PolarHBondContact O-N 3.09Å
174T54.5Low68.1Low114 Ų114134 Ų13470%0.69969%0.687SS**  trans-67.6108.3158.440.10000104.5K172K172-T174 PolarHBondContact O-N 2.71Å
175E58.6Low68.9Low165 Ų165136.3 Ų136.377%0.77168%0.679SS**  trans0.4129.8143.9-168.5171.4-162.800112.7V173 A177V173-E175 PolarHBondContact O-N 3.09Å; E175-A177 VanDerWaalsContact C-N 3.29Å; E175-A177 WeakPolarHBondContact O-CA 3.45Å; E175-A177 PolarHBondContact O-N 3.39Å
176P50.8Low69.9Low125 Ų125132 Ų13281%0.81267%0.67SS**  trans-52.996.9-167.524.5-34.7000109.5N178P176-N178 PolarHBondContact O-N 3.05Å
177A59.2Low71Confident48 Ų48132.9 Ų132.940%0.39766%0.662SS.*  trans-60.1115.7-173.900000105.2E175 Y179 V182E175-A177 VanDerWaalsContact C-N 3.29Å; E175-A177 WeakPolarHBondContact O-CA 3.45Å; E175-A177 PolarHBondContact O-N 3.39Å; A177-Y179 PolarHBondContact O-N 3.47Å; A177-Y179 VanDerWaalsContact O-N 3.09Å; A177-V182 HydrophobicContact CB-CG2 4.28Å
178N68.3Low72.1Confident122 Ų122129.9 Ų129.965%0.65265%0.651SS**  trans-39.1119.3-174.9-149.9-28.8000108.5P176 M180 F181P176-N178 PolarHBondContact O-N 3.05Å; N178-M180 CarbonylContact O-C 3.6Å; N178-M180 PolarHBondContact O-N 3.48Å; N178-F181 VanDerWaalsContact O-CB 3.28Å; N178-F181 WeakPolarHBondContact O-CB 3.49Å; N178-F181 PolarHBondContact O-N 3.47Å
179Y80.2Confident73.3Confident156 Ų156123.2 Ų123.261%0.61263%0.632SS**Hα-helixtrans-52-28.4-16494.9-82.7000113.2A177 F181 V182 K183A177-Y179 PolarHBondContact O-N 3.47Å; A177-Y179 VanDerWaalsContact O-N 3.09Å; Y179-F181 VanDerWaalsContact C-N 3.34Å; Y179-F181 PolarHBondContact O-N 2.83Å; Y179-V182 PolarHBondContact O-N 3.38Å; Y179-K183 HydrophobicContact CE2-CD 4.27Å; Y179-K183 WeakPolarHBondContact O-CB 3.47Å; Y179-K183 PolarHBondContact O-N 2.97Å
180M78.3Confident74.7Confident107 Ų107121.3 Ų121.353%0.52762%0.621SS.*Hα-helixtrans-59.1-38.3174-68-62.9-89.200113.5N178 K183 H184N178-M180 CarbonylContact O-C 3.6Å; N178-M180 PolarHBondContact O-N 3.48Å; M180-K183 PolarHBondContact O-N 2.89Å; M180-H184 WeakPolarHBondContact O-CB 3.35Å; M180-H184 PolarHBondContact O-N 3.44Å
181F81.5Confident76.5Confident130 Ų130119.1 Ų119.157%0.5761%0.605SS**Hα-helixtrans-66-44.7178-176.2-101.4000111.7N178 Y179 H184 R185N178-F181 VanDerWaalsContact O-CB 3.28Å; N178-F181 WeakPolarHBondContact O-CB 3.49Å; N178-F181 PolarHBondContact O-N 3.47Å; Y179-F181 VanDerWaalsContact C-N 3.34Å; Y179-F181 PolarHBondContact O-N 2.83Å; F181-H184 PolarHBondContact O-N 3.41Å; F181-R185 WeakPolarHBondContact O-CB 3.47Å; F181-R185 PolarHBondContact O-N 3.02Å
182V83.6Confident78Confident91 Ų91116.8 Ų116.855%0.55259%0.594SS**Hα-helixtrans-64.2-42.8176.2-179.50000110.5A177 Y179 R185 G186A177-V182 HydrophobicContact CB-CG2 4.28Å; Y179-V182 PolarHBondContact O-N 3.38Å; V182-R185 PolarHBondContact O-N 3.43Å; V182-G186 PolarHBondContact O-N 3.38Å
183K87.9Confident79.4Confident139 Ų139115 Ų11560%0.60459%0.592SS**Hα-helixtrans-62.8-43.8177.7-170.3178.5-178.8-178.60112.3Y179 M180 G186 R187Y179-K183 HydrophobicContact CE2-CD 4.27Å; Y179-K183 WeakPolarHBondContact O-CB 3.47Å; Y179-K183 PolarHBondContact O-N 2.97Å; M180-K183 PolarHBondContact O-N 2.89Å; K183-G186 PolarHBondContact O-N 3Å; K183-R187 WeakPolarHBondContact O-CB 3.46Å; K183-R187 PolarHBondContact O-N 3.03Å
184H91.5Very high81Confident114 Ų114116.2 Ų116.253%0.52858%0.583SS.*Hα-helixtrans-62.6-45.2177.2-177.7-101.2000111.5M180 F181 G186 R187 L188M180-H184 WeakPolarHBondContact O-CB 3.35Å; M180-H184 PolarHBondContact O-N 3.44Å; F181-H184 PolarHBondContact O-N 3.41Å; H184-G186 PolarHBondContact O-N 3.4Å; H184-R187 WeakPolarHBondContact O-CB 3.31Å; H184-R187 PolarHBondContact O-N 3Å; H184-L188 VanDerWaalsContact CE1-CD1 3.42Å; H184-L188 WeakPolarHBondContact CE1-CD1 3.28Å; H184-L188 PolarHBondContact O-N 3.22Å
185R90.7Very high82Confident177 Ų177120.9 Ų120.967%0.66859%0.594SS**Hα-helixtrans-64.7-40.3178.9-161.4179.9-178.6167.32.8112.5F181 V182 R187 L188 A189F181-R185 WeakPolarHBondContact O-CB 3.47Å; F181-R185 PolarHBondContact O-N 3.02Å; V182-R185 PolarHBondContact O-N 3.43Å; R185-R187 VanDerWaalsContact C-N 3.33Å; R185-L188 PolarHBondContact O-N 3.11Å; R185-A189 WeakPolarHBondContact O-CB 3.48Å; R185-A189 PolarHBondContact O-N 3.2Å
186G91.3Very high83.1Confident43 Ų43118.7 Ų118.744%0.44359%0.586SS.*Hα-helixtrans-63.1-38.717400000112.7V182 K183 H184 Y190V182-G186 PolarHBondContact O-N 3.38Å; K183-G186 PolarHBondContact O-N 3Å; H184-G186 PolarHBondContact O-N 3.4Å; G186-Y190 WeakPolarHBondContact O-CB 3.5Å; G186-Y190 PolarHBondContact O-N 2.86Å
187R92.4Very high84.8Confident184 Ų184118.4 Ų118.469%0.69457%0.574SS**Hα-helixtrans-65.3-43.2176-166.8175.4-175.3168.10.9112.1K183 H184 R185 Y190 L191K183-R187 WeakPolarHBondContact O-CB 3.46Å; K183-R187 PolarHBondContact O-N 3.03Å; H184-R187 WeakPolarHBondContact O-CB 3.31Å; H184-R187 PolarHBondContact O-N 3Å; R185-R187 VanDerWaalsContact C-N 3.33Å; R187-Y190 PolarHBondContact O-N 3.46Å; R187-L191 HydrophobicContact CG-CD1 4.43Å; R187-L191 WeakPolarHBondContact O-CG 3.44Å; R187-L191 PolarHBondContact O-N 3.06Å
188L94.2Very high86.3Confident95 Ų95122.3 Ų122.350%0.49758%0.583SS.*Hα-helixtrans-64.9-44.2176.3-72-180000112.4H184 R185 Y190 L191 S192H184-L188 VanDerWaalsContact CE1-CD1 3.42Å; H184-L188 WeakPolarHBondContact CE1-CD1 3.28Å; H184-L188 PolarHBondContact O-N 3.22Å; R185-L188 PolarHBondContact O-N 3.11Å; L188-Y190 VanDerWaalsContact C-N 3.27Å; L188-Y190 PolarHBondContact O-N 3.43Å; L188-L191 PolarHBondContact O-N 2.97Å; L188-S192 PolarHBondContact O-N 3.18Å; L188-S192 PolarHBondContact O-OG 2.97Å
189A92.4Very high87.3Confident55 Ų55122.3 Ų122.346%0.45558%0.579SS.*Hα-helixtrans-62.7-35177.300000112.5R185 S192R185-A189 WeakPolarHBondContact O-CB 3.48Å; R185-A189 PolarHBondContact O-N 3.2Å; A189-S192 PolarHBondContact O-OG 3.18Å
190Y92Very high87.8Confident138 Ų138120.2 Ų120.254%0.54158%0.577SS.*Hα-helixtrans-65.8-46.6173.1178.8-93.9000111.3G186 R187 L188 S192 L193 Y194G186-Y190 WeakPolarHBondContact O-CB 3.5Å; G186-Y190 PolarHBondContact O-N 2.86Å; R187-Y190 PolarHBondContact O-N 3.46Å; L188-Y190 VanDerWaalsContact C-N 3.27Å; L188-Y190 PolarHBondContact O-N 3.43Å; Y190-S192 VanDerWaalsContact C-N 3.34Å; Y190-S192 PolarHBondContact O-N 3.03Å; Y190-L193 WeakPolarHBondContact O-CB 3.42Å; Y190-L193 PolarHBondContact O-N 2.63Å; Y190-Y194 HydrophobicContact CD1-CD2 4.46Å; Y190-Y194 HydrophobicContact CD2-CE2 4.12Å; Y190-Y194 HydrophobicContact CE1-CD2 4.09Å; Y190-Y194 HydrophobicContact CE1-CE2 4.02Å; Y190-Y194 HydrophobicContact CE2-CD2 4.41Å; Y190-Y194 AromaticContact CE2-CE2 3.59Å; Y190-Y194 HydrophobicContact CE2-CE2 3.59Å; Y190-Y194 AromaticContact CZ-CE2 3.52Å; Y190-Y194 VanDerWaalsContact O-CD2 3.31Å; Y190-Y194 WeakPolarHBondContact O-CD2 3.34Å
191L93.9Very high88.4Confident67 Ų67121.1 Ų121.135%0.35158%0.581SS.*Hα-helixtrans-64.5-37.4-178.9-69.8171.1000112.3R187 L188 L193 Y194 F195R187-L191 HydrophobicContact CG-CD1 4.43Å; R187-L191 WeakPolarHBondContact O-CG 3.44Å; R187-L191 PolarHBondContact O-N 3.06Å; L188-L191 PolarHBondContact O-N 2.97Å; L191-L193 PolarHBondContact O-N 2.93Å; L191-L193 VanDerWaalsContact O-N 3.11Å; L191-Y194 PolarHBondContact O-N 2.73Å; L191-F195 HydrophobicContact CB-CD2 4.41Å; L191-F195 HydrophobicContact CD2-CD2 3.98Å; L191-F195 HydrophobicContact CD2-CE2 3.78Å; L191-F195 PolarHBondContact O-N 3.04Å
192S87.7Confident88.9Confident81 Ų81120.4 Ų120.457%0.56658%0.581SS**THydrogen-bonded Turntrans-65-11.7177.162.50000115L188 A189 Y190L188-S192 PolarHBondContact O-N 3.18Å; L188-S192 PolarHBondContact O-OG 2.97Å; A189-S192 PolarHBondContact O-OG 3.18Å; Y190-S192 VanDerWaalsContact C-N 3.34Å; Y190-S192 PolarHBondContact O-N 3.03Å
193L88Confident89.3Confident132 Ų132122.7 Ų122.769%0.69158%0.584SS**THydrogen-bonded Turntrans-80.3-22.9173.6-68.2170.1000112.3Y190 L191Y190-L193 WeakPolarHBondContact O-CB 3.42Å; Y190-L193 PolarHBondContact O-N 2.63Å; L191-L193 PolarHBondContact O-N 2.93Å; L191-L193 VanDerWaalsContact O-N 3.11Å
194Y84.5Confident89.4Confident157 Ų157121.3 Ų121.362%0.61658%0.582SS**THydrogen-bonded Turntrans-118.7-23.3-169.3-64.6-78000113.7Y190 L191Y190-Y194 HydrophobicContact CD1-CD2 4.46Å; Y190-Y194 HydrophobicContact CD2-CE2 4.12Å; Y190-Y194 HydrophobicContact CE1-CD2 4.09Å; Y190-Y194 HydrophobicContact CE1-CE2 4.02Å; Y190-Y194 HydrophobicContact CE2-CD2 4.41Å; Y190-Y194 AromaticContact CE2-CE2 3.59Å; Y190-Y194 HydrophobicContact CE2-CE2 3.59Å; Y190-Y194 AromaticContact CZ-CE2 3.52Å; Y190-Y194 VanDerWaalsContact O-CD2 3.31Å; Y190-Y194 WeakPolarHBondContact O-CD2 3.34Å; L191-Y194 PolarHBondContact O-N 2.73Å
195F74.6Confident89.2Confident213 Ų213122 Ų12293%0.93459%0.587SS**  trans-1200175.4-59.7-78.2000109.4L191L191-F195 HydrophobicContact CB-CD2 4.41Å; L191-F195 HydrophobicContact CD2-CD2 3.98Å; L191-F195 HydrophobicContact CD2-CE2 3.78Å; L191-F195 PolarHBondContact O-N 3.04Å

Retrieved 195 of 195 residues in 96.7 ms (Link to these results)