A0A087X783_POEFO Loading...

Uncharacterized LOC103149074

AlphaFold DB , UniProt , Accession A0A087X783, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 aa.

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

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
1M38.1Very low34.9Very low249 Ų249169.7 Ų169.7100%1.22785%0.845SS**  095.50-75.5-178.7155.900108.5
2T32.3Very low35.2Very low142 Ų142171.5 Ų171.587%0.87184%0.844SS**  trans-108.3109.7-17529.40000109R4T2-R4 PolarHBondContact O-N 3.04Å
3A34.4Very low35.6Very low100 Ų100168.7 Ų168.783%0.82683%0.827SS**  trans-71.2112.4175.400000109.7K5A3-K5 PolarHBondContact O-N 2.63Å
4R34.1Very low36.3Very low233 Ų233165.7 Ų165.788%0.87982%0.824SS**  trans-62.9119.5168.9-90.1178.6169.8171.6-2.9108.4T2 D6T2-R4 PolarHBondContact O-N 3.04Å; R4-D6 PolarHBondContact O-N 3.37Å
5K37.2Very low37.4Very low202 Ų202159.9 Ų159.988%0.87879%0.792SS**  trans-73.3109166.1-74.3-179.5176.31790107.9A3 K7A3-K5 PolarHBondContact O-N 2.63Å; K5-K7 PolarHBondContact O-N 2.53Å; K5-K7 VanDerWaalsContact O-N 3.12Å
6D34.9Very low38.2Very low152 Ų152162.2 Ų162.281%0.81380%0.8SS**  trans-65.7110.5169.5-76-32000109.2R4 V8R4-D6 PolarHBondContact O-N 3.37Å; D6-V8 PolarHBondContact O-N 3.24Å
7K32.6Very low39.4Very low186 Ų186162.1 Ų162.181%0.80979%0.79SS**  trans-77.5107.9176.9-154.7177.2-173.4-177.80106.7K5 I9K5-K7 PolarHBondContact O-N 2.53Å; K5-K7 VanDerWaalsContact O-N 3.12Å; K7-I9 PolarHBondContact O-N 3.32Å
8V38Very low41.2Very low120 Ų120157.4 Ų157.473%0.72777%0.766SS**  trans-67.3101.5172.1179.60000108D6 F10D6-V8 PolarHBondContact O-N 3.24Å; V8-F10 HydrophobicContact CG1-CE2 4.47Å
9I30.7Very low43.3Very low132 Ų132151.6 Ų151.668%0.67774%0.737SS**  trans-85.7111.4172.3-61.4171.4000106.7K7 Q11K7-I9 PolarHBondContact O-N 3.32Å; I9-Q11 PolarHBondContact O-N 3.28Å
10F35.2Very low45.2Very low189 Ų189149.7 Ų149.783%0.82973%0.726SS**  trans-66.198.9166.7-78-86.2000108.6V8 K12V8-F10 HydrophobicContact CG1-CE2 4.47Å; F10-K12 PolarHBondContact O-N 2.93Å
11Q36.6Very low47.1Very low162 Ų162143.3 Ų143.376%0.75770%0.697SS**  trans-67.5102.4169-85.6-175.7-11.100109I9 Q13I9-Q11 PolarHBondContact O-N 3.28Å; Q11-Q13 PolarHBondContact O-N 2.78Å
12K38Very low49.1Very low191 Ų191132.3 Ų132.383%0.8364%0.644SS**  trans-6996.5165.6-158.4177.1-172.8179.50107.4F10 T14F10-K12 PolarHBondContact O-N 2.93Å; K12-T14 PolarHBondContact O-N 3.4Å
13Q40.6Very low51.3Low135 Ų135125.8 Ų125.863%0.63160%0.604SS**  trans-69.494.7173.4-76.8-168.80.600109.5Q11 K15Q11-Q13 PolarHBondContact O-N 2.78Å; Q13-K15 VanDerWaalsContact C-N 3.34Å; Q13-K15 PolarHBondContact O-N 2.61Å; Q13-K15 VanDerWaalsContact O-N 3.1Å; Q13-K15 VanDerWaalsContact OE1-CE 3.3Å
14T45.8Very low53.1Low127 Ų127122.2 Ų122.278%0.77957%0.572SS**  trans-78.185.6165.545.40000108.8K12K12-T14 PolarHBondContact O-N 3.4Å
15K52.3Low54.8Low79 Ų79119.1 Ų119.134%0.34357%0.568SS.*  trans-73.1136.4165.3-70.3178.6-176.3161.70108.7Q13 Y17Q13-K15 VanDerWaalsContact C-N 3.34Å; Q13-K15 PolarHBondContact O-N 2.61Å; Q13-K15 VanDerWaalsContact O-N 3.1Å; Q13-K15 VanDerWaalsContact OE1-CE 3.3Å; K15-Y17 PolarHBondContact O-N 3.06Å; K15-Y17 VanDerWaalsContact O-N 3.14Å
16Q50.6Low56.7Low196 Ų196110.8 Ų110.892%0.91654%0.535SS*.SBendtrans-65.1-12-178.4-164.3175.16.700113.5
17Y57.8Low58.8Low161 Ų161110.2 Ų110.263%0.63154%0.537SS*.SBendtrans-140.3146.417851.7-90.8000110.5K15K15-Y17 PolarHBondContact O-N 3.06Å; K15-Y17 VanDerWaalsContact O-N 3.14Å
18H73.1Confident61.1Low77 Ų77102 Ų10236%0.35650%0.504SS..  trans-116.1139.2179.1-56.6-59.7000110.4K31H18-K31 HydrophobicContact CB-CB 4.08Å; H18-K31 WeakPolarHBondContact ND1-CB 3.18Å; H18-K31 WeakPolarHBondContact NE2-CD 3.26Å
19E80.6Confident63Low48 Ų4896.5 Ų96.522%0.22447%0.471CS..  trans-92.3134177.3-63.3175136.500108S29 S30 F38E19-S29 CarbonylContact O-C 3.51Å; E19-S29 WeakPolarHBondContact O-CA 3.47Å; E19-S29 PolarHBondContact O-OG 3.12Å; E19-S30 PolarHBondContact N-OG 3.33Å; E19-S30 PolarHBondContact O-N 3.34Å; E19-F38 HydrophobicContact CB-CB 4.05Å; E19-F38 HydrophobicContact CB-CD1 3.93Å; E19-F38 HydrophobicContact CB-CD2 4.14Å; E19-F38 HydrophobicContact CB-CE1 4.45Å; E19-F38 HydrophobicContact CB-CG 3.76Å; E19-F38 WeakPolarHBondContact OE2-CB 3.37Å
20H81.3Confident65.1Low113 Ų11391.7 Ų91.752%0.52345%0.449SS..BIsolated β-bridgetrans-117.9141.3178-66.8-84.6000109.4C22 S29H20-C22 PolarHBondContact O-N 2.95Å; H20-S29 PolarHBondContact CE1-OG 2.76Å; H20-S29 PolarHBondContact ND1-OG 3.18Å
21C84.3Confident66.6Low15 Ų1588 Ų8810%0.10143%0.432CS..BIsolated β-bridgetrans-70.2130.8175.9-166.70000110V23 C26 A28 F38 K67 C69C21-V23 VanDerWaalsContact C-N 3.29Å; C21-C26 HydrophobicContact CB-CB 4.18Å; C21-C26 VanDerWaalsContact SG-SG 3.68Å; C21-A28 HydrophobicContact CB-CB 4.19Å; C21-A28 PolarHBondContact N-O 3.37Å; C21-F38 HydrophobicContact CB-CE1 4.39Å; C21-K67 CarbonylContact C-O 3.56Å; C21-K67 WeakPolarHBondContact CA-O 3.16Å; C21-C69 HydrophobicContact CB-CB 4.17Å; C21-C69 PolarHBondContact SG-N 3.47Å; C21-C69 VanDerWaalsContact SG-N 3.37Å; C21-C69 VanDerWaalsContact SG-SG 3.67Å
22C80.3Confident67.9Low19 Ų1988.8 Ų88.813%0.12843%0.43CS..  trans-83.6-2176.9690000113.2H20 R57 K67H20-C22 PolarHBondContact O-N 2.95Å; C22-R57 PolarHBondContact O-NH1 3.17Å; C22-K67 PolarHBondContact N-O 3.47Å; C22-K67 PolarHBondContact SG-O 3.45Å
23V79.9Confident69.2Low4 Ų482.6 Ų82.62%0.02441%0.406CS..SBendtrans-72.4131.8-179.6178.70000110.5C21 Q25 C26 I55 V68 H72 F99 W101C21-V23 VanDerWaalsContact C-N 3.29Å; V23-Q25 PolarHBondContact O-N 2.94Å; V23-C26 HydrophobicContact CB-CB 3.95Å; V23-C26 HydrophobicContact CG1-CB 4.35Å; V23-C26 VanDerWaalsContact O-CB 3.3Å; V23-C26 WeakPolarHBondContact O-CB 3.32Å; V23-C26 PolarHBondContact O-N 3.02Å; V23-C26 VanDerWaalsContact O-N 3.16Å; V23-I55 HydrophobicContact CG2-CD1 4.41Å; V23-I55 HydrophobicContact CG2-CG1 4.3Å; V23-V68 HydrophobicContact CG2-CG1 3.85Å; V23-V68 HydrophobicContact CG2-CG2 4.31Å; V23-H72 WeakPolarHBondContact CB-NE2 3.42Å; V23-F99 HydrophobicContact CG1-CD1 3.67Å; V23-F99 HydrophobicContact CG1-CE1 3.63Å; V23-F99 HydrophobicContact CG2-CE1 4.1Å; V23-W101 HydrophobicContact CG1-CH2 3.63Å; V23-W101 HydrophobicContact CG1-CZ2 4.32Å
24P71.8Confident70.4Confident25 Ų2580 Ų8016%0.16242%0.415CS..THydrogen-bonded Turntrans-50.2139.9174.9-24.830000112.4C26 R57 W101P24-C26 PolarHBondContact O-N 3.39Å; P24-R57 HydrophobicContact CG-CG 4.04Å; P24-W101 HydrophobicContact CB-CH2 4.09Å; P24-W101 HydrophobicContact CB-CZ3 4.22Å; P24-W101 HydrophobicContact CG-CH2 4.13Å
25Q68.9Low71.5Confident168 Ų16880.4 Ų80.479%0.78541%0.412SS*.THydrogen-bonded Turntrans62.24.7179.6-55.1175.6-11.400115.4V23V23-Q25 PolarHBondContact O-N 2.94Å
26C78.1Confident72.7Confident28 Ų2877.9 Ų77.919%0.18940%0.402CS..  trans-91115.5173.1-171.60000110.3C21 V23 P24 A28 H72C21-C26 HydrophobicContact CB-CB 4.18Å; C21-C26 VanDerWaalsContact SG-SG 3.68Å; V23-C26 HydrophobicContact CB-CB 3.95Å; V23-C26 HydrophobicContact CG1-CB 4.35Å; V23-C26 VanDerWaalsContact O-CB 3.3Å; V23-C26 WeakPolarHBondContact O-CB 3.32Å; V23-C26 PolarHBondContact O-N 3.02Å; V23-C26 VanDerWaalsContact O-N 3.16Å; P24-C26 PolarHBondContact O-N 3.39Å; C26-A28 VanDerWaalsContact C-N 3.31Å; C26-A28 VanDerWaalsContact SG-CB 3.54Å; C26-H72 PolarHBondContact SG-NE2 3.08Å
27T78.9Confident74.1Confident139 Ų13968.9 Ų68.985%0.85336%0.361SS*.  trans-90.88.2177.854.70000113.2S29T27-S29 PolarHBondContact O-N 3.12Å
28A79.9Confident75.2Confident14 Ų1462.2 Ų62.212%0.11634%0.335CS..  trans-64.5127.3-175.900000112.3C21 C26 L36 C69 L71C21-A28 HydrophobicContact CB-CB 4.19Å; C21-A28 PolarHBondContact N-O 3.37Å; C26-A28 VanDerWaalsContact C-N 3.31Å; C26-A28 VanDerWaalsContact SG-CB 3.54Å; A28-L36 HydrophobicContact CB-CD1 3.88Å; A28-C69 HydrophobicContact CB-CB 4.2Å; A28-L71 HydrophobicContact CB-CD1 4.5Å
29S77.3Confident75.7Confident5 Ų559.8 Ų59.84%0.03532%0.323CS..BIsolated β-bridgetrans-137.1141.7177.7177.10000111.2E19 H20 T27 K31 Y32 N33E19-S29 CarbonylContact O-C 3.51Å; E19-S29 WeakPolarHBondContact O-CA 3.47Å; E19-S29 PolarHBondContact O-OG 3.12Å; H20-S29 PolarHBondContact CE1-OG 2.76Å; H20-S29 PolarHBondContact ND1-OG 3.18Å; T27-S29 PolarHBondContact O-N 3.12Å; S29-K31 PolarHBondContact O-N 2.53Å; S29-K31 PolarHBondContact OG-N 3.31Å; S29-Y32 PolarHBondContact O-N 2.75Å; S29-N33 PolarHBondContact O-N 2.79Å; S29-N33 VanDerWaalsContact O-N 3.11Å
30S74.8Confident75.8Confident31 Ų3159 Ų5922%0.21733%0.328CS..THydrogen-bonded Turntrans-68.2-11.2176.572.90000113.4E19 F38E19-S30 PolarHBondContact N-OG 3.33Å; E19-S30 PolarHBondContact O-N 3.34Å; S30-F38 VanDerWaalsContact CB-CE2 3.46Å; S30-F38 VanDerWaalsContact N-CZ 3.26Å
31K68.1Low75.7Confident110 Ų11055.2 Ų55.248%0.47831%0.31SS..THydrogen-bonded Turntrans-69.2-41.9172.9-172.3175.2-177.7-173.60113H18 S29H18-K31 HydrophobicContact CB-CB 4.08Å; H18-K31 WeakPolarHBondContact ND1-CB 3.18Å; H18-K31 WeakPolarHBondContact NE2-CD 3.26Å; S29-K31 PolarHBondContact O-N 2.53Å; S29-K31 PolarHBondContact OG-N 3.31Å
32Y64.3Low75.5Confident180 Ų18055.8 Ų55.871%0.70631%0.314SS*.THydrogen-bonded Turntrans-105.6-12-172.1-58.6-73.8000112.5S29S29-Y32 PolarHBondContact O-N 2.75Å
33N64.6Low75.2Confident61 Ų6160.8 Ų60.833%0.32635%0.349SS..  trans-141.398179-164.3-21.7000112S29 L35 L36S29-N33 PolarHBondContact O-N 2.79Å; S29-N33 VanDerWaalsContact O-N 3.11Å; N33-L35 VanDerWaalsContact C-N 3.28Å; N33-L35 PolarHBondContact O-N 3.08Å; N33-L35 PolarHBondContact OD1-N 3.14Å; N33-L35 VanDerWaalsContact OD1-N 3.16Å; N33-L36 HydrophobicContact CB-CD1 4.02Å; N33-L36 HydrophobicContact CB-CG 4.25Å; N33-L36 WeakPolarHBondContact ND2-CD1 3.32Å
34G65.3Low75.1Confident79 Ų7965.6 Ų65.681%0.81437%0.371SS*.THydrogen-bonded Turntrans-77.5-7.2179.100000114.9
35L69.9Low75.2Confident136 Ų13669 Ų6971%0.71239%0.393SS*.THydrogen-bonded Turntrans-88.7-13.3-179.8-63.7173.9000113.1N33N33-L35 VanDerWaalsContact C-N 3.28Å; N33-L35 PolarHBondContact O-N 3.08Å; N33-L35 PolarHBondContact OD1-N 3.14Å; N33-L35 VanDerWaalsContact OD1-N 3.16Å
36L76.7Confident75.5Confident27 Ų2766.9 Ų66.914%0.14138%0.383CS..  trans-88135.6177.7-64.9179.3000111A28 N33 F38 L71A28-L36 HydrophobicContact CB-CD1 3.88Å; N33-L36 HydrophobicContact CB-CD1 4.02Å; N33-L36 HydrophobicContact CB-CG 4.25Å; N33-L36 WeakPolarHBondContact ND2-CD1 3.32Å; L36-F38 HydrophobicContact CB-CE2 4.01Å; L36-F38 HydrophobicContact CB-CZ 4.46Å; L36-L71 HydrophobicContact CD1-CD1 4.02Å; L36-L71 HydrophobicContact CD1-CG 4.35Å; L36-L71 HydrophobicContact CD2-CD1 4.24Å; L36-L71 HydrophobicContact CD2-CD2 3.98Å; L36-L71 HydrophobicContact CD2-CG 3.72Å
37S79.8Confident75.4Confident7 Ų766.3 Ų66.35%0.04938%0.378CS..  trans-94.8142.5168.152.70000110.4H39 C69 S70 R88S37-H39 WeakPolarHBondContact CB-NE2 3.12Å; S37-H39 PolarHBondContact OG-CE1 3.02Å; S37-H39 PolarHBondContact OG-NE2 3.22Å; S37-C69 CarbonylContact O-C 3.53Å; S37-C69 WeakPolarHBondContact O-CA 3.16Å; S37-S70 PolarHBondContact N-OG 3.22Å; S37-S70 PolarHBondContact O-N 3.31Å; S37-S70 WeakPolarHBondContact OG-CB 3.34Å; S37-R88 VanDerWaalsContact CB-O 3.32Å; S37-R88 WeakPolarHBondContact CB-O 3.45Å; S37-R88 PolarHBondContact OG-O 3.12Å
38F82.3Confident75.4Confident20 Ų2064.8 Ų64.89%0.08836%0.357CS..EExtended strand (participates in β ladder)trans-113127.8179.7-69.2-98.3000109.1E19 C21 S30 L36 K67 C69E19-F38 HydrophobicContact CB-CB 4.05Å; E19-F38 HydrophobicContact CB-CD1 3.93Å; E19-F38 HydrophobicContact CB-CD2 4.14Å; E19-F38 HydrophobicContact CB-CE1 4.45Å; E19-F38 HydrophobicContact CB-CG 3.76Å; E19-F38 WeakPolarHBondContact OE2-CB 3.37Å; C21-F38 HydrophobicContact CB-CE1 4.39Å; S30-F38 VanDerWaalsContact CB-CE2 3.46Å; S30-F38 VanDerWaalsContact N-CZ 3.26Å; L36-F38 HydrophobicContact CB-CE2 4.01Å; L36-F38 HydrophobicContact CB-CZ 4.46Å; F38-K67 HydrophobicContact CB-CB 3.97Å; F38-K67 HydrophobicContact CB-CG 4.32Å; F38-K67 HydrophobicContact CD1-CB 4.29Å; F38-C69 HydrophobicContact CD1-CB 4.06Å; F38-C69 HydrophobicContact CE1-CB 3.83Å; F38-C69 HydrophobicContact CZ-CB 4.24Å
39H83.4Confident75.2Confident26 Ų2672.1 Ų72.112%0.1238%0.382CS..EExtended strand (participates in β ladder)trans-116.6130.6-170.5-58.7-70.8000110.6S37 W51 K67 V68 R88 V90S37-H39 WeakPolarHBondContact CB-NE2 3.12Å; S37-H39 PolarHBondContact OG-CE1 3.02Å; S37-H39 PolarHBondContact OG-NE2 3.22Å; H39-W51 HydrophobicContact CB-CH2 4.24Å; H39-K67 CarbonylContact O-C 3.54Å; H39-K67 VanDerWaalsContact O-CA 3.28Å; H39-K67 WeakPolarHBondContact O-CA 3.3Å; H39-V68 PolarHBondContact N-O 2.96Å; H39-V68 PolarHBondContact O-N 2.91Å; H39-R88 PolarHBondContact CE1-O 3.17Å; H39-R88 VanDerWaalsContact CE1-O 3.26Å; H39-V90 HydrophobicContact CB-CG2 4.28Å; H39-V90 VanDerWaalsContact CD2-CG2 3.41Å; H39-V90 WeakPolarHBondContact CD2-CG2 3.4Å
40G81.3Confident75.2Confident31 Ų3177.4 Ų77.432%0.3240%0.401SS..EExtended strand (participates in β ladder)trans-75.7161.6173.100000111.7
41F80.6Confident75.4Confident35 Ų3576.1 Ų76.115%0.15439%0.391CS..PPolyproline II helixtrans-63139.3175.8-77.1-99.3000110.9R48 W51 L52 I55 L62 V68F41-R48 HydrophobicContact CB-CG 4.43Å; F41-R48 HydrophobicContact CD1-CG 4.23Å; F41-W51 HydrophobicContact CD1-CB 4.1Å; F41-W51 HydrophobicContact CD1-CE3 4.11Å; F41-W51 HydrophobicContact CE1-CB 3.92Å; F41-W51 HydrophobicContact CE1-CE3 4.26Å; F41-W51 HydrophobicContact CG-CE3 4.5Å; F41-L52 HydrophobicContact CE1-CD2 4.15Å; F41-L52 HydrophobicContact CE1-CG 4.33Å; F41-I55 HydrophobicContact CE1-CD1 4.19Å; F41-I55 HydrophobicContact CZ-CD1 3.9Å; F41-L62 HydrophobicContact CD1-CD1 4.24Å; F41-L62 HydrophobicContact CD1-CD2 4.26Å; F41-L62 HydrophobicContact CD2-CD2 3.85Å; F41-L62 HydrophobicContact CE1-CD1 4.39Å; F41-L62 HydrophobicContact CE1-CD2 3.88Å; F41-L62 HydrophobicContact CE2-CD2 3.47Å; F41-L62 VanDerWaalsContact CE2-CD2 3.47Å; F41-L62 HydrophobicContact CG-CD1 4.45Å; F41-L62 HydrophobicContact CG-CD2 4.24Å; F41-L62 HydrophobicContact CZ-CD2 3.48Å; F41-L62 VanDerWaalsContact CZ-CD2 3.48Å; F41-V68 HydrophobicContact CE2-CG2 4.37Å; F41-V68 HydrophobicContact CZ-CG2 4.3Å
42P80.1Confident75.8Confident26 Ų2673.5 Ų73.517%0.16938%0.382CS..PPolyproline II helixtrans-60.7148.1177.1-24.634.8000113H44 L47 W51P42-H44 VanDerWaalsContact C-N 3.28Å; P42-H44 PolarHBondContact O-N 3.23Å; P42-L47 HydrophobicContact CB-CB 4.27Å; P42-L47 HydrophobicContact CB-CD2 3.77Å; P42-L47 HydrophobicContact CB-CG 4.16Å; P42-L47 HydrophobicContact CG-CB 4.44Å; P42-L47 HydrophobicContact CG-CD2 3.64Å; P42-L47 HydrophobicContact CG-CG 3.87Å; P42-W51 HydrophobicContact CG-CD2 4.24Å; P42-W51 HydrophobicContact CG-CH2 4.43Å; P42-W51 HydrophobicContact CG-CZ2 3.95Å
43S73.4Confident76.3Confident125 Ų12569.2 Ų69.287%0.87438%0.375SS*.SBendtrans-70.5-23.8174.2-49.20000113
44H76.8Confident76.6Confident104 Ų10468.2 Ų68.248%0.48137%0.37SS..SBendtrans-72.2123.4-179.7-165.3-80.8000110.8P42 E46 L47 R48P42-H44 VanDerWaalsContact C-N 3.28Å; P42-H44 PolarHBondContact O-N 3.23Å; H44-E46 IonicContact CE1-OE2 3.63Å; H44-E46 PolarHBondContact ND1-N 3.26Å; H44-E46 PolarHBondContact O-N 2.65Å; H44-L47 HydrophobicContact CB-CB 4.26Å; H44-L47 PolarHBondContact O-N 2.8Å; H44-R48 WeakPolarHBondContact O-CB 3.4Å; H44-R48 PolarHBondContact O-N 3.13Å
45P74.9Confident77Confident97 Ų9764.5 Ų64.563%0.6333%0.332SS*.Hα-helixtrans-60.6-41.8-169.720.6-31.3000113R48 R49P45-R48 PolarHBondContact O-N 2.77Å; P45-R49 PolarHBondContact O-N 3.4Å
46E74.8Confident76.8Confident124 Ų12463.7 Ų63.758%0.57932%0.32SS*.Hα-helixtrans-69.4-36.1-179.8-59.8-178.9165.800114H44 R49 R50H44-E46 IonicContact CE1-OE2 3.63Å; H44-E46 PolarHBondContact ND1-N 3.26Å; H44-E46 PolarHBondContact O-N 2.65Å; E46-R49 PolarHBondContact O-N 2.93Å; E46-R50 PolarHBondContact O-N 2.81Å
47L77.1Confident76Confident16 Ų1667.6 Ų67.68%0.08433%0.332CS..Hα-helixtrans-74.2-36.9179.3-170.965.6000110P42 H44 R49 R50 W51 V95P42-L47 HydrophobicContact CB-CB 4.27Å; P42-L47 HydrophobicContact CB-CD2 3.77Å; P42-L47 HydrophobicContact CB-CG 4.16Å; P42-L47 HydrophobicContact CG-CB 4.44Å; P42-L47 HydrophobicContact CG-CD2 3.64Å; P42-L47 HydrophobicContact CG-CG 3.87Å; H44-L47 HydrophobicContact CB-CB 4.26Å; H44-L47 PolarHBondContact O-N 2.8Å; L47-R49 VanDerWaalsContact C-N 3.35Å; L47-R50 PolarHBondContact O-N 2.83Å; L47-W51 PolarHBondContact O-N 3.12Å; L47-V95 HydrophobicContact CD1-CG2 3.65Å
48R78.2Confident74.6Confident107 Ų10775.4 Ų75.440%0.40437%0.373SS..Hα-helixtrans-60.9-42.3170.8-176.4175.3176.7176.5-1.8111.8F41 H44 P45 W51 L52F41-R48 HydrophobicContact CB-CG 4.43Å; F41-R48 HydrophobicContact CD1-CG 4.23Å; H44-R48 WeakPolarHBondContact O-CB 3.4Å; H44-R48 PolarHBondContact O-N 3.13Å; P45-R48 PolarHBondContact O-N 2.77Å; R48-W51 PolarHBondContact O-N 3.2Å; R48-L52 WeakPolarHBondContact O-CG 3.46Å; R48-L52 PolarHBondContact O-N 3.26Å; R48-L52 VanDerWaalsContact O-N 3.08Å
49R74.9Confident73.3Confident167 Ų16784.1 Ų84.163%0.6341%0.411SS*.Hα-helixtrans-60.7-44.5174.2-166.3-178.773.586.2-3.3111.5P45 E46 L47 W51 L52 V53P45-R49 PolarHBondContact O-N 3.4Å; E46-R49 PolarHBondContact O-N 2.93Å; L47-R49 VanDerWaalsContact C-N 3.35Å; R49-W51 PolarHBondContact O-N 3.09Å; R49-L52 PolarHBondContact O-N 3.28Å; R49-V53 WeakPolarHBondContact O-CG2 3.22Å; R49-V53 PolarHBondContact O-N 2.84Å
50R77.2Confident72.3Confident116 Ų11685.1 Ų85.144%0.43842%0.418SS..Hα-helixtrans-59.5-43.5176-77.7-175.7-81.8167.1-10.6112.8E46 L47 L52 V53 T54 V95E46-R50 PolarHBondContact O-N 2.81Å; L47-R50 PolarHBondContact O-N 2.83Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 2.88Å; R50-V53 PolarHBondContact O-N 2.9Å; R50-T54 WeakPolarHBondContact O-CG2 3.3Å; R50-T54 PolarHBondContact O-N 2.68Å; R50-T54 PolarHBondContact O-OG1 3.35Å; R50-V95 HydrophobicContact CB-CG1 4.38Å; R50-V95 HydrophobicContact CB-CG2 4.28Å
51W80.3Confident71.3Confident5 Ų592.8 Ų92.82%0.01944%0.442CS..Hα-helixtrans-63.5-37.9175.9-76.538.3000112.6H39 F41 P42 L47 R48 R49 T54 I55 V68 F73 V90 A94 P96H39-W51 HydrophobicContact CB-CH2 4.24Å; F41-W51 HydrophobicContact CD1-CB 4.1Å; F41-W51 HydrophobicContact CD1-CE3 4.11Å; F41-W51 HydrophobicContact CE1-CB 3.92Å; F41-W51 HydrophobicContact CE1-CE3 4.26Å; F41-W51 HydrophobicContact CG-CE3 4.5Å; P42-W51 HydrophobicContact CG-CD2 4.24Å; P42-W51 HydrophobicContact CG-CH2 4.43Å; P42-W51 HydrophobicContact CG-CZ2 3.95Å; L47-W51 PolarHBondContact O-N 3.12Å; R48-W51 PolarHBondContact O-N 3.2Å; R49-W51 PolarHBondContact O-N 3.09Å; W51-T54 PolarHBondContact O-OG1 3.08Å; W51-I55 WeakPolarHBondContact O-CB 3.49Å; W51-I55 VanDerWaalsContact O-CD1 3.25Å; W51-I55 WeakPolarHBondContact O-CD1 3.46Å; W51-I55 WeakPolarHBondContact O-CG1 3.39Å; W51-I55 PolarHBondContact O-N 3.41Å; W51-V68 HydrophobicContact CE3-CG2 4.12Å; W51-V68 HydrophobicContact CZ3-CB 4.18Å; W51-V68 HydrophobicContact CZ3-CG2 4.1Å; W51-F73 HydrophobicContact CH2-CE1 4Å; W51-F73 HydrophobicContact CH2-CE2 4.44Å; W51-F73 AromaticContact CH2-CZ 3.41Å; W51-F73 HydrophobicContact CH2-CZ 3.41Å; W51-F73 VanDerWaalsContact CH2-CZ 3.41Å; W51-F73 AromaticContact CZ2-CE1 3.66Å; W51-F73 HydrophobicContact CZ2-CE1 3.66Å; W51-F73 AromaticContact CZ2-CZ 3.57Å; W51-F73 HydrophobicContact CZ2-CZ 3.57Å; W51-F73 AromaticContact CZ3-CZ 3.99Å; W51-F73 HydrophobicContact CZ3-CZ 3.99Å; W51-V90 HydrophobicContact CZ2-CG1 4.43Å; W51-A94 PolarHBondContact NE1-O 2.77Å; W51-P96 HydrophobicContact CD2-CG 4.18Å; W51-P96 HydrophobicContact CG-CG 4.26Å
52L76.6Confident70.6Confident55 Ų5593.1 Ų93.129%0.28845%0.445SS..Hα-helixtrans-66.1-42.9176.8-77.8172.7000112.3F41 R48 R49 R50 I55 R56 L60 L62F41-L52 HydrophobicContact CE1-CD2 4.15Å; F41-L52 HydrophobicContact CE1-CG 4.33Å; R48-L52 WeakPolarHBondContact O-CG 3.46Å; R48-L52 PolarHBondContact O-N 3.26Å; R48-L52 VanDerWaalsContact O-N 3.08Å; R49-L52 PolarHBondContact O-N 3.28Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 2.88Å; L52-I55 PolarHBondContact O-N 3.09Å; L52-R56 PolarHBondContact O-N 3.17Å; L52-L60 HydrophobicContact CD2-CD2 4.48Å; L52-L62 HydrophobicContact CD1-CD1 3.84Å; L52-L62 HydrophobicContact CD2-CD1 3.74Å; L52-L62 HydrophobicContact CD2-CD2 4.02Å; L52-L62 HydrophobicContact CD2-CG 3.95Å; L52-L62 HydrophobicContact CG-CD1 4.07Å
53V73.4Confident69.9Low90 Ų9095.9 Ų95.955%0.54546%0.462SS..Hα-helixtrans-62.9-44.2177.8172.20000111R49 R50 I55 R56R49-V53 WeakPolarHBondContact O-CG2 3.22Å; R49-V53 PolarHBondContact O-N 2.84Å; R50-V53 PolarHBondContact O-N 2.9Å; V53-I55 PolarHBondContact O-N 3.28Å; V53-R56 PolarHBondContact O-N 2.99Å
54T70.8Confident69.3Low39 Ų3997.8 Ų97.824%0.23946%0.461CS..Hα-helixtrans-70.3-30.9-178.257.10000113.5R50 W51 R56 V95 P96 W101R50-T54 WeakPolarHBondContact O-CG2 3.3Å; R50-T54 PolarHBondContact O-N 2.68Å; R50-T54 PolarHBondContact O-OG1 3.35Å; W51-T54 PolarHBondContact O-OG1 3.08Å; T54-R56 PolarHBondContact O-N 3.41Å; T54-V95 HydrophobicContact CG2-CG1 3.87Å; T54-P96 PolarHBondContact OG1-O 3.1Å; T54-W101 PolarHBondContact O-NE1 3.29Å
55I73.9Confident68.8Low2 Ų2100.5 Ų100.51%0.0147%0.474CS..Hα-helixtrans-75-11.8177.7-66.1168.8000112.2V23 F41 W51 L52 V53 V68 F99V23-I55 HydrophobicContact CG2-CD1 4.41Å; V23-I55 HydrophobicContact CG2-CG1 4.3Å; F41-I55 HydrophobicContact CE1-CD1 4.19Å; F41-I55 HydrophobicContact CZ-CD1 3.9Å; W51-I55 WeakPolarHBondContact O-CB 3.49Å; W51-I55 VanDerWaalsContact O-CD1 3.25Å; W51-I55 WeakPolarHBondContact O-CD1 3.46Å; W51-I55 WeakPolarHBondContact O-CG1 3.39Å; W51-I55 PolarHBondContact O-N 3.41Å; L52-I55 PolarHBondContact O-N 3.09Å; V53-I55 PolarHBondContact O-N 3.28Å; I55-V68 HydrophobicContact CD1-CG2 3.79Å; I55-F99 HydrophobicContact CG1-CE1 4.11Å; I55-F99 HydrophobicContact CG1-CZ 4Å
56R65.8Low69.1Low119 Ų11996.6 Ų96.645%0.44945%0.449SS..THydrogen-bonded Turntrans50.261.6175.3-66-170.4178.2177.70.5113.9L52 V53 T54L52-R56 PolarHBondContact O-N 3.17Å; V53-R56 PolarHBondContact O-N 2.99Å; T54-R56 PolarHBondContact O-N 3.41Å
57R60Low69.6Low108 Ų10893.1 Ų93.141%0.40843%0.432SS..  trans-130.2114.8168.8-83.5-171.6164.9141.23111.6C22 P24 K59 L60C22-R57 PolarHBondContact O-NH1 3.17Å; P24-R57 HydrophobicContact CG-CG 4.04Å; R57-K59 VanDerWaalsContact C-N 3.25Å; R57-K59 PolarHBondContact O-N 3.03Å; R57-L60 HydrophobicContact CB-CB 3.96Å
58D51.3Low69.8Low171 Ų17192.3 Ų92.391%0.91443%0.428SS*.THydrogen-bonded Turntrans-74.1-12.4179.7-64.4-24.3000113.8
59K54Low70.1Confident203 Ų20387.2 Ų87.288%0.88341%0.409SS*.THydrogen-bonded Turntrans-140.137.6-175.6-60.4-174.8-177.1178.10114.6R57 K61R57-K59 VanDerWaalsContact C-N 3.25Å; R57-K59 PolarHBondContact O-N 3.03Å; K59-K61 PolarHBondContact O-N 3.22Å
60L63.2Low70.5Confident48 Ų4879.7 Ų79.725%0.25138%0.381SS..  trans-82.4115175.6-168.783.9000111.3L52 R57 L62L52-L60 HydrophobicContact CD2-CD2 4.48Å; R57-L60 HydrophobicContact CB-CB 3.96Å; L60-L62 HydrophobicContact CD2-CD2 3.5Å; L60-L62 VanDerWaalsContact CD2-CD2 3.5Å; L60-L62 HydrophobicContact CD2-CG 4.26Å; L60-L62 HydrophobicContact CG-CD2 4.49Å; L60-L62 PolarHBondContact O-N 2.98Å; L60-L62 VanDerWaalsContact O-N 3.13Å
61K60.1Low70.6Confident192 Ų19278.9 Ų78.984%0.83539%0.385SS*.  trans-74.498.8165.7-67.9-173.7-179.6-177.70109.2K59 T63K59-K61 PolarHBondContact O-N 3.22Å; K61-T63 PolarHBondContact O-N 3.43Å
62L65.6Low70.7Confident41 Ų4179.3 Ų79.322%0.21539%0.387CS..  trans-65.1117.4175.8-74.7-180000110.8F41 L52 L60F41-L62 HydrophobicContact CD1-CD1 4.24Å; F41-L62 HydrophobicContact CD1-CD2 4.26Å; F41-L62 HydrophobicContact CD2-CD2 3.85Å; F41-L62 HydrophobicContact CE1-CD1 4.39Å; F41-L62 HydrophobicContact CE1-CD2 3.88Å; F41-L62 HydrophobicContact CE2-CD2 3.47Å; F41-L62 VanDerWaalsContact CE2-CD2 3.47Å; F41-L62 HydrophobicContact CG-CD1 4.45Å; F41-L62 HydrophobicContact CG-CD2 4.24Å; F41-L62 HydrophobicContact CZ-CD2 3.48Å; F41-L62 VanDerWaalsContact CZ-CD2 3.48Å; L52-L62 HydrophobicContact CD1-CD1 3.84Å; L52-L62 HydrophobicContact CD2-CD1 3.74Å; L52-L62 HydrophobicContact CD2-CD2 4.02Å; L52-L62 HydrophobicContact CD2-CG 3.95Å; L52-L62 HydrophobicContact CG-CD1 4.07Å; L60-L62 HydrophobicContact CD2-CD2 3.5Å; L60-L62 VanDerWaalsContact CD2-CD2 3.5Å; L60-L62 HydrophobicContact CD2-CG 4.26Å; L60-L62 HydrophobicContact CG-CD2 4.49Å; L60-L62 PolarHBondContact O-N 2.98Å; L60-L62 VanDerWaalsContact O-N 3.13Å
63T65.7Low71Confident84 Ų8476.9 Ų76.952%0.51538%0.375SS..  trans-101.4161.6168.563.60000110.4K61 H65 S66K61-T63 PolarHBondContact O-N 3.43Å; T63-H65 PolarHBondContact O-N 3.04Å; T63-S66 PolarHBondContact N-OG 3.49Å; T63-S66 VanDerWaalsContact O-CB 3.28Å; T63-S66 WeakPolarHBondContact O-CB 3.23Å; T63-S66 PolarHBondContact O-N 3.41Å; T63-S66 PolarHBondContact O-OG 3.07Å; T63-S66 PolarHBondContact OG1-OG 3.26Å
64L60.2Low71Confident166 Ų16674 Ų7487%0.86936%0.357SS*.THydrogen-bonded Turntrans-56.5-20.4174.5-77152.2000113.5
65H68Low71Confident160 Ų16077.5 Ų77.574%0.74138%0.381SS*.THydrogen-bonded Turntrans-92.4-0.5179.3-55.5-69.6000113.7T63 K67T63-H65 PolarHBondContact O-N 3.04Å; H65-K67 PolarHBondContact O-N 3.39Å
66S80.2Confident70.9Confident16 Ų1682.4 Ų82.411%0.11241%0.407CS..  trans-71.6113.9177.2-610000110T63T63-S66 PolarHBondContact N-OG 3.49Å; T63-S66 VanDerWaalsContact O-CB 3.28Å; T63-S66 WeakPolarHBondContact O-CB 3.23Å; T63-S66 PolarHBondContact O-N 3.41Å; T63-S66 PolarHBondContact O-OG 3.07Å; T63-S66 PolarHBondContact OG1-OG 3.26Å
67K84.5Confident71.1Confident50 Ų5078.5 Ų78.522%0.21739%0.394CS..EExtended strand (participates in β ladder)trans-123146.9-178.9-56.5-59.6-175.2-169.10111.9C21 C22 F38 H39 H65C21-K67 CarbonylContact C-O 3.56Å; C21-K67 WeakPolarHBondContact CA-O 3.16Å; C22-K67 PolarHBondContact N-O 3.47Å; C22-K67 PolarHBondContact SG-O 3.45Å; F38-K67 HydrophobicContact CB-CB 3.97Å; F38-K67 HydrophobicContact CB-CG 4.32Å; F38-K67 HydrophobicContact CD1-CB 4.29Å; H39-K67 CarbonylContact O-C 3.54Å; H39-K67 VanDerWaalsContact O-CA 3.28Å; H39-K67 WeakPolarHBondContact O-CA 3.3Å; H65-K67 PolarHBondContact O-N 3.39Å
68V83.2Confident71.8Confident0 Ų074.5 Ų74.50%038%0.38CS..EExtended strand (participates in β ladder)trans-109.7131.6171.9-178.80000108.7V23 H39 F41 W51 I55 H72 F73 P96V23-V68 HydrophobicContact CG2-CG1 3.85Å; V23-V68 HydrophobicContact CG2-CG2 4.31Å; H39-V68 PolarHBondContact N-O 2.96Å; H39-V68 PolarHBondContact O-N 2.91Å; F41-V68 HydrophobicContact CE2-CG2 4.37Å; F41-V68 HydrophobicContact CZ-CG2 4.3Å; W51-V68 HydrophobicContact CE3-CG2 4.12Å; W51-V68 HydrophobicContact CZ3-CB 4.18Å; W51-V68 HydrophobicContact CZ3-CG2 4.1Å; I55-V68 HydrophobicContact CD1-CG2 3.79Å; V68-H72 HydrophobicContact CG1-CB 4.02Å; V68-F73 HydrophobicContact CB-CE2 4.41Å; V68-F73 HydrophobicContact CG1-CE2 3.83Å; V68-F73 HydrophobicContact CG1-CZ 4.29Å; V68-P96 HydrophobicContact CG1-CB 4.43Å
69C83.7Confident72.8Confident0 Ų070.4 Ų70.40%036%0.358CS..EExtended strand (participates in β ladder)trans-80.5156.918074.90000112.1C21 A28 S37 F38 L71 H72C21-C69 HydrophobicContact CB-CB 4.17Å; C21-C69 PolarHBondContact SG-N 3.47Å; C21-C69 VanDerWaalsContact SG-N 3.37Å; C21-C69 VanDerWaalsContact SG-SG 3.67Å; A28-C69 HydrophobicContact CB-CB 4.2Å; S37-C69 CarbonylContact O-C 3.53Å; S37-C69 WeakPolarHBondContact O-CA 3.16Å; F38-C69 HydrophobicContact CD1-CB 4.06Å; F38-C69 HydrophobicContact CE1-CB 3.83Å; F38-C69 HydrophobicContact CZ-CB 4.24Å; C69-L71 PolarHBondContact O-N 3.44Å; C69-H72 PolarHBondContact O-N 2.8Å; C69-H72 VanDerWaalsContact SG-CD2 3.55Å
70S82Confident73.3Confident8 Ų869.1 Ų69.16%0.05636%0.355CS..G310 helixtrans-59.7-14.5-17946.30000115.8S37 H72 F73S37-S70 PolarHBondContact N-OG 3.22Å; S37-S70 PolarHBondContact O-N 3.31Å; S37-S70 WeakPolarHBondContact OG-CB 3.34Å; S70-H72 PolarHBondContact O-N 3.3Å; S70-F73 PolarHBondContact O-N 3.17Å
71L81.1Confident73.5Confident100 Ų10069.3 Ų69.352%0.52436%0.359SS..G310 helixtrans-65.1-23.1177.2-68.9170.8000113A28 L36 C69 F73A28-L71 HydrophobicContact CB-CD1 4.5Å; L36-L71 HydrophobicContact CD1-CD1 4.02Å; L36-L71 HydrophobicContact CD1-CG 4.35Å; L36-L71 HydrophobicContact CD2-CD1 4.24Å; L36-L71 HydrophobicContact CD2-CD2 3.98Å; L36-L71 HydrophobicContact CD2-CG 3.72Å; C69-L71 PolarHBondContact O-N 3.44Å; L71-F73 VanDerWaalsContact C-N 3.29Å
72H82.2Confident73.2Confident13 Ų1370.9 Ų70.96%0.0637%0.366CS..G310 helixtrans-87-0.8-178.1-61.8-63.9000113.5V23 C26 V68 C69 S70 P96 V97 L98 F99V23-H72 WeakPolarHBondContact CB-NE2 3.42Å; C26-H72 PolarHBondContact SG-NE2 3.08Å; V68-H72 HydrophobicContact CG1-CB 4.02Å; C69-H72 PolarHBondContact O-N 2.8Å; C69-H72 VanDerWaalsContact SG-CD2 3.55Å; S70-H72 PolarHBondContact O-N 3.3Å; H72-P96 HydrophobicContact CB-CB 3.79Å; H72-P96 CarbonylContact O-C 3.6Å; H72-P96 WeakPolarHBondContact O-CA 3.32Å; H72-P96 WeakPolarHBondContact O-CB 3.33Å; H72-V97 PolarHBondContact O-N 3.14Å; H72-L98 PolarHBondContact ND1-O 2.64Å; H72-L98 PolarHBondContact O-N 2.81Å; H72-L98 VanDerWaalsContact O-N 3.12Å; H72-F99 HydrophobicContact CB-CE1 4.37Å; H72-F99 AromaticContact ND1-CD1 3.75Å; H72-F99 AromaticContact ND1-CE1 3.91Å
73F82.1Confident72.7Confident5 Ų572.3 Ų72.32%0.02238%0.383CS..SBendtrans-112141.6178.5-61.2-89.5000109.4W51 V68 S70 L71 Q77 L78 V90 P96W51-F73 HydrophobicContact CH2-CE1 4Å; W51-F73 HydrophobicContact CH2-CE2 4.44Å; W51-F73 AromaticContact CH2-CZ 3.41Å; W51-F73 HydrophobicContact CH2-CZ 3.41Å; W51-F73 VanDerWaalsContact CH2-CZ 3.41Å; W51-F73 AromaticContact CZ2-CE1 3.66Å; W51-F73 HydrophobicContact CZ2-CE1 3.66Å; W51-F73 AromaticContact CZ2-CZ 3.57Å; W51-F73 HydrophobicContact CZ2-CZ 3.57Å; W51-F73 AromaticContact CZ3-CZ 3.99Å; W51-F73 HydrophobicContact CZ3-CZ 3.99Å; V68-F73 HydrophobicContact CB-CE2 4.41Å; V68-F73 HydrophobicContact CG1-CE2 3.83Å; V68-F73 HydrophobicContact CG1-CZ 4.29Å; S70-F73 PolarHBondContact O-N 3.17Å; L71-F73 VanDerWaalsContact C-N 3.29Å; F73-Q77 HydrophobicContact CB-CB 4.4Å; F73-L78 HydrophobicContact CB-CD1 4.44Å; F73-L78 HydrophobicContact CB-CD2 3.94Å; F73-L78 HydrophobicContact CB-CG 4.09Å; F73-L78 HydrophobicContact CG-CD2 4.35Å; F73-V90 HydrophobicContact CD1-CG1 4Å; F73-V90 HydrophobicContact CD1-CG2 4.04Å; F73-V90 HydrophobicContact CD2-CG2 4.02Å; F73-V90 HydrophobicContact CE1-CG1 3.78Å; F73-V90 HydrophobicContact CE1-CG2 3.99Å; F73-V90 HydrophobicContact CE2-CG2 3.97Å; F73-V90 HydrophobicContact CG-CG2 4.05Å; F73-V90 HydrophobicContact CZ-CG1 4.39Å; F73-V90 HydrophobicContact CZ-CG2 3.97Å; F73-P96 HydrophobicContact CD1-CB 4.35Å; F73-P96 HydrophobicContact CE1-CB 3.93Å; F73-P96 HydrophobicContact CE1-CG 4.28Å; F73-P96 HydrophobicContact CE2-CB 4.25Å; F73-P96 HydrophobicContact CZ-CB 3.86Å; F73-P96 HydrophobicContact CZ-CG 4.14Å
74T74.4Confident71.7Confident30 Ų3074 Ų7418%0.18441%0.406CS..  trans-69.7150.7173.452.10000110.3D76 Q77 V97 L98T74-D76 WeakPolarHBondContact CB-OD1 3.17Å; T74-D76 PolarHBondContact O-N 2.8Å; T74-D76 VanDerWaalsContact O-N 3.12Å; T74-D76 PolarHBondContact OG1-OD1 3.23Å; T74-Q77 WeakPolarHBondContact O-CB 3.23Å; T74-Q77 PolarHBondContact O-N 2.89Å; T74-Q77 VanDerWaalsContact OG1-CD 3.31Å; T74-Q77 VanDerWaalsContact OG1-CG 3.3Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.49Å; T74-V97 HydrophobicContact CG2-CG2 3.73Å; T74-L98 HydrophobicContact CG2-CD1 4.01Å; T74-L98 HydrophobicContact CG2-CD2 3.91Å; T74-L98 HydrophobicContact CG2-CG 3.93Å
75P69.3Low71.4Confident112 Ų11270.1 Ų70.173%0.72741%0.406SS*.G310 helixtrans-56.7-29.4-176.3-27.135.4000114.4Q77 L78P75-Q77 VanDerWaalsContact C-N 3.29Å; P75-Q77 PolarHBondContact O-N 3.35Å; P75-L78 PolarHBondContact O-N 2.81Å
76D72.2Confident70.8Confident104 Ų10464.3 Ų64.356%0.55639%0.389SS*.G310 helixtrans-70.8-20.3175.563.8-61.8000113.4T74 L78 K91T74-D76 WeakPolarHBondContact CB-OD1 3.17Å; T74-D76 PolarHBondContact O-N 2.8Å; T74-D76 VanDerWaalsContact O-N 3.12Å; T74-D76 PolarHBondContact OG1-OD1 3.23Å; D76-L78 VanDerWaalsContact C-N 3.35Å; D76-K91 WeakPolarHBondContact O-CD 3.38Å; D76-K91 WeakPolarHBondContact O-CE 3.32Å; D76-K91 PolarHBondContact O-NZ 3.36Å
77Q69.9Low69.9Low38 Ų3871 Ų7118%0.17841%0.412CS..G310 helixtrans-88.3-4.5175.9-67.7179.6-12.900113.2F73 T74 P75 K91 A94 V95F73-Q77 HydrophobicContact CB-CB 4.4Å; T74-Q77 WeakPolarHBondContact O-CB 3.23Å; T74-Q77 PolarHBondContact O-N 2.89Å; T74-Q77 VanDerWaalsContact OG1-CD 3.31Å; T74-Q77 VanDerWaalsContact OG1-CG 3.3Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.49Å; P75-Q77 VanDerWaalsContact C-N 3.29Å; P75-Q77 PolarHBondContact O-N 3.35Å; Q77-K91 PolarHBondContact O-N 2.93Å; Q77-A94 HydrophobicContact CB-CB 3.91Å; Q77-A94 HydrophobicContact CG-CB 4.13Å; Q77-V95 PolarHBondContact OE1-O 2.91Å; Q77-V95 VanDerWaalsContact OE1-O 3.06Å
78L74.9Confident69.1Low24 Ų2474.2 Ų74.213%0.12642%0.423CS..EExtended strand (participates in β ladder)trans-106.3128-179.5-62.2174000110.6F73 P75 D76 V90F73-L78 HydrophobicContact CB-CD1 4.44Å; F73-L78 HydrophobicContact CB-CD2 3.94Å; F73-L78 HydrophobicContact CB-CG 4.09Å; F73-L78 HydrophobicContact CG-CD2 4.35Å; P75-L78 PolarHBondContact O-N 2.81Å; D76-L78 VanDerWaalsContact C-N 3.35Å; L78-V90 HydrophobicContact CD2-CG2 3.72Å
79L71.8Confident68.5Low85 Ų8580.2 Ų80.245%0.44545%0.452SS..EExtended strand (participates in β ladder)trans-80.2127.1170-64.8171.9000109.2R88 M89 K91L79-R88 WeakPolarHBondContact O-CA 3.39Å; L79-M89 HydrophobicContact CB-CB 4.43Å; L79-M89 WeakPolarHBondContact CB-O 3.47Å; L79-M89 PolarHBondContact N-O 2.89Å; L79-M89 PolarHBondContact O-N 2.85Å; L79-K91 HydrophobicContact CD1-CG 4.32Å; L79-K91 HydrophobicContact CD2-CD 4.33Å; L79-K91 HydrophobicContact CD2-CG 3.73Å; L79-K91 HydrophobicContact CG-CG 3.68Å
80Q66.3Low68.2Low175 Ų17581.6 Ų81.682%0.81846%0.461SS*.PPolyproline II helixtrans-69.3144.1172-66.1-170.416.600110.4
81P65.8Low67.9Low52 Ų5285.8 Ų85.834%0.33848%0.478SS..PPolyproline II helixtrans-70.2138.5-178.8-4.820000111.1A83 G86 R88P81-A83 PolarHBondContact O-N 2.85Å; P81-G86 VanDerWaalsContact CB-C 3.46Å; P81-G86 WeakPolarHBondContact CB-O 3.35Å; P81-G86 WeakPolarHBondContact CG-O 3.4Å; P81-R88 HydrophobicContact CG-CG 4.41Å
82K55.2Low67.2Low225 Ų22593.3 Ų93.398%0.97850%0.5SS*.SBendtrans-73.7-3.1178.2-65-174.6178-175.20114.3
83A53.7Low66.4Low71 Ų7194.7 Ų94.759%0.58752%0.517SS*.SBendtrans-138.9147.5-179.100000111.4P81 G85 G86P81-A83 PolarHBondContact O-N 2.85Å; A83-G85 PolarHBondContact O-N 3.22Å; A83-G86 PolarHBondContact O-N 2.79Å
84A45.9Very low66.1Low120 Ų12095 Ų9599%0.99252%0.52SS*.THydrogen-bonded Turntrans-64.5101.1176.100000110.2
85G53.6Low66.2Low84 Ų8494.5 Ų94.587%0.86652%0.517SS*.THydrogen-bonded Turntrans115.1-0.5-175.300000115.3A83A83-G85 PolarHBondContact O-N 3.22Å
86G55.8Low66.6Low38 Ų3889.1 Ų89.139%0.39248%0.483SS..PPolyproline II helixtrans-72.1154.4175.200000113.2P81 A83P81-G86 VanDerWaalsContact CB-C 3.46Å; P81-G86 WeakPolarHBondContact CB-O 3.35Å; P81-G86 WeakPolarHBondContact CG-O 3.4Å; A83-G86 PolarHBondContact O-N 2.79Å
87R59.5Low66.8Low157 Ų15787.2 Ų87.259%0.59248%0.475SS*.PPolyproline II helixtrans-79.9141.5175-60-177.4-166.6-179.77.3109.9
88R69.7Low66.8Low117 Ų11789.1 Ų89.144%0.44249%0.485SS..PPolyproline II helixtrans-62.9141168.8-61.1-177.4-126.9-149.41.7108.7S37 H39 L79 P81S37-R88 VanDerWaalsContact CB-O 3.32Å; S37-R88 WeakPolarHBondContact CB-O 3.45Å; S37-R88 PolarHBondContact OG-O 3.12Å; H39-R88 PolarHBondContact CE1-O 3.17Å; H39-R88 VanDerWaalsContact CE1-O 3.26Å; L79-R88 WeakPolarHBondContact O-CA 3.39Å; P81-R88 HydrophobicContact CG-CG 4.41Å
89M69.4Low66.8Low126 Ų12688.7 Ų88.762%0.62148%0.483SS*.EExtended strand (participates in β ladder)trans-119.6139.1179.6-67.9-177.569.700110.2L79L79-M89 HydrophobicContact CB-CB 4.43Å; L79-M89 WeakPolarHBondContact CB-O 3.47Å; L79-M89 PolarHBondContact N-O 2.89Å; L79-M89 PolarHBondContact O-N 2.85Å
90V78.3Confident66.2Low29 Ų2988.9 Ų88.918%0.17649%0.489CS..EExtended strand (participates in β ladder)trans-72134.2175.1173.30000109.4H39 W51 F73 L78 A94H39-V90 HydrophobicContact CB-CG2 4.28Å; H39-V90 VanDerWaalsContact CD2-CG2 3.41Å; H39-V90 WeakPolarHBondContact CD2-CG2 3.4Å; W51-V90 HydrophobicContact CZ2-CG1 4.43Å; F73-V90 HydrophobicContact CD1-CG1 4Å; F73-V90 HydrophobicContact CD1-CG2 4.04Å; F73-V90 HydrophobicContact CD2-CG2 4.02Å; F73-V90 HydrophobicContact CE1-CG1 3.78Å; F73-V90 HydrophobicContact CE1-CG2 3.99Å; F73-V90 HydrophobicContact CE2-CG2 3.97Å; F73-V90 HydrophobicContact CG-CG2 4.05Å; F73-V90 HydrophobicContact CZ-CG1 4.39Å; F73-V90 HydrophobicContact CZ-CG2 3.97Å; L78-V90 HydrophobicContact CD2-CG2 3.72Å; V90-A94 HydrophobicContact CG1-CB 3.48Å; V90-A94 VanDerWaalsContact CG1-CB 3.48Å
91K74.6Confident66Low96 Ų9682.2 Ų82.242%0.41746%0.456SS..PPolyproline II helixtrans-59.1147.9175.8-73.6-178.9178.8174.30110.7D76 Q77 L79 G93 A94D76-K91 WeakPolarHBondContact O-CD 3.38Å; D76-K91 WeakPolarHBondContact O-CE 3.32Å; D76-K91 PolarHBondContact O-NZ 3.36Å; Q77-K91 PolarHBondContact O-N 2.93Å; L79-K91 HydrophobicContact CD1-CG 4.32Å; L79-K91 HydrophobicContact CD2-CD 4.33Å; L79-K91 HydrophobicContact CD2-CG 3.73Å; L79-K91 HydrophobicContact CG-CG 3.68Å; K91-G93 PolarHBondContact O-N 3Å; K91-A94 HydrophobicContact CB-CB 4.44Å; K91-A94 WeakPolarHBondContact O-CB 3.24Å; K91-A94 PolarHBondContact O-N 2.82Å; K91-A94 VanDerWaalsContact O-N 3.15Å
92R66.2Low65.5Low259 Ų25983 Ų8398%0.97746%0.463SS*.THydrogen-bonded Turntrans-60.1125.4175.5-64.7-171.9-155.9-141.65.2109.1
93G67Low65.2Low42 Ų4281 Ų8143%0.43346%0.457SS..THydrogen-bonded Turntrans90.9-3.4-179.500000116K91K91-G93 PolarHBondContact O-N 3Å
94A75.1Confident64.5Low10 Ų1084.1 Ų84.18%0.08346%0.459CS..  trans-71148.4178.100000112.5W51 Q77 V90 K91W51-A94 PolarHBondContact NE1-O 2.77Å; Q77-A94 HydrophobicContact CB-CB 3.91Å; Q77-A94 HydrophobicContact CG-CB 4.13Å; V90-A94 HydrophobicContact CG1-CB 3.48Å; V90-A94 VanDerWaalsContact CG1-CB 3.48Å; K91-A94 HydrophobicContact CB-CB 4.44Å; K91-A94 WeakPolarHBondContact O-CB 3.24Å; K91-A94 PolarHBondContact O-N 2.82Å; K91-A94 VanDerWaalsContact O-N 3.15Å
95V76.8Confident63.9Low20 Ų2083.5 Ų83.512%0.12145%0.448CS..  trans-127.1133.7-177.5-177.60000107.7L47 R50 T54 Q77 V97L47-V95 HydrophobicContact CD1-CG2 3.65Å; R50-V95 HydrophobicContact CB-CG1 4.38Å; R50-V95 HydrophobicContact CB-CG2 4.28Å; T54-V95 HydrophobicContact CG2-CG1 3.87Å; Q77-V95 PolarHBondContact OE1-O 2.91Å; Q77-V95 VanDerWaalsContact OE1-O 3.06Å; V95-V97 PolarHBondContact O-N 3.36Å
96P77.8Confident62.9Low0 Ų084.7 Ų84.70%044%0.438CS..  trans-64.8130.4175.726.7-32.4000109.2W51 T54 V68 H72 F73 F99W51-P96 HydrophobicContact CD2-CG 4.18Å; W51-P96 HydrophobicContact CG-CG 4.26Å; T54-P96 PolarHBondContact OG1-O 3.1Å; V68-P96 HydrophobicContact CG1-CB 4.43Å; H72-P96 HydrophobicContact CB-CB 3.79Å; H72-P96 CarbonylContact O-C 3.6Å; H72-P96 WeakPolarHBondContact O-CA 3.32Å; H72-P96 WeakPolarHBondContact O-CB 3.33Å; F73-P96 HydrophobicContact CD1-CB 4.35Å; F73-P96 HydrophobicContact CE1-CB 3.93Å; F73-P96 HydrophobicContact CE1-CG 4.28Å; F73-P96 HydrophobicContact CE2-CB 4.25Å; F73-P96 HydrophobicContact CZ-CB 3.86Å; F73-P96 HydrophobicContact CZ-CG 4.14Å; P96-F99 HydrophobicContact CB-CE2 4.28Å; P96-F99 HydrophobicContact CB-CZ 3.76Å; P96-F99 HydrophobicContact CG-CZ 4.02Å; P96-F99 WeakPolarHBondContact O-CE2 3.45Å
97V74.8Confident61.8Low64 Ų6490.6 Ų90.639%0.38846%0.455SS..  trans-127.9-15.3-174.4-70.40000113H72 T74 V95 F99H72-V97 PolarHBondContact O-N 3.14Å; T74-V97 HydrophobicContact CG2-CG2 3.73Å; V95-V97 PolarHBondContact O-N 3.36Å; V97-F99 PolarHBondContact O-N 3.07Å
98L70.4Confident60.5Low77 Ų7788.1 Ų88.140%0.40346%0.46SS..  trans-9399.2-177.5-60178.3000110.1H72 T74H72-L98 PolarHBondContact ND1-O 2.64Å; H72-L98 PolarHBondContact O-N 2.81Å; H72-L98 VanDerWaalsContact O-N 3.12Å; T74-L98 HydrophobicContact CG2-CD1 4.01Å; T74-L98 HydrophobicContact CG2-CD2 3.91Å; T74-L98 HydrophobicContact CG2-CG 3.93Å
99F74.6Confident58.8Low15 Ų1588.1 Ų88.17%0.06648%0.475CS..  trans-131.7151.3177-57.7-80.6000111.7V23 I55 H72 P96 V97 W101 S102V23-F99 HydrophobicContact CG1-CD1 3.67Å; V23-F99 HydrophobicContact CG1-CE1 3.63Å; V23-F99 HydrophobicContact CG2-CE1 4.1Å; I55-F99 HydrophobicContact CG1-CE1 4.11Å; I55-F99 HydrophobicContact CG1-CZ 4Å; H72-F99 HydrophobicContact CB-CE1 4.37Å; H72-F99 AromaticContact ND1-CD1 3.75Å; H72-F99 AromaticContact ND1-CE1 3.91Å; P96-F99 HydrophobicContact CB-CE2 4.28Å; P96-F99 HydrophobicContact CB-CZ 3.76Å; P96-F99 HydrophobicContact CG-CZ 4.02Å; P96-F99 WeakPolarHBondContact O-CE2 3.45Å; V97-F99 PolarHBondContact O-N 3.07Å; F99-W101 HydrophobicContact CB-CD2 3.67Å; F99-W101 HydrophobicContact CB-CE3 4.14Å; F99-W101 HydrophobicContact CB-CG 4.11Å; F99-W101 HydrophobicContact CB-CH2 4.14Å; F99-W101 HydrophobicContact CB-CZ2 3.66Å; F99-W101 HydrophobicContact CB-CZ3 4.36Å; F99-W101 AromaticContact CD1-CE2 3.85Å; F99-W101 AromaticContact CD1-CH2 3.6Å; F99-W101 HydrophobicContact CD1-CH2 3.6Å; F99-W101 AromaticContact CD1-CZ2 3.2Å; F99-W101 HydrophobicContact CD1-CZ2 3.2Å; F99-W101 HydrophobicContact CD1-CZ3 4.5Å; F99-W101 HydrophobicContact CD2-CZ2 4.4Å; F99-W101 HydrophobicContact CE1-CH2 4.37Å; F99-W101 AromaticContact CE1-CZ2 3.89Å; F99-W101 HydrophobicContact CE1-CZ2 3.89Å; F99-W101 HydrophobicContact CG-CD2 4.41Å; F99-W101 AromaticContact CG-CE2 3.62Å; F99-W101 HydrophobicContact CG-CH2 4.17Å; F99-W101 AromaticContact CG-CZ2 3.5Å; F99-W101 HydrophobicContact CG-CZ2 3.5Å; F99-W101 AromaticContact CG-NE1 3.79Å; F99-W101 PolarHBondContact O-N 2.86Å; F99-W101 VanDerWaalsContact O-N 3.08Å; F99-S102 PolarHBondContact N-OG 3.09Å; F99-S102 PolarHBondContact O-N 2.85Å; F99-S102 PolarHBondContact O-OG 3.09Å
100P58.9Low57.1Low89 Ų8993.9 Ų93.958%0.57849%0.49SS*.THydrogen-bonded Turntrans-55.9-27.2174.3-25.133.8000113.9
101W63.6Low55Low35 Ų3597.5 Ų97.513%0.13352%0.523CS..THydrogen-bonded Turntrans-92.81.5179.556.183.8000114.9V23 P24 T54 F99 H103 Q104V23-W101 HydrophobicContact CG1-CH2 3.63Å; V23-W101 HydrophobicContact CG1-CZ2 4.32Å; P24-W101 HydrophobicContact CB-CH2 4.09Å; P24-W101 HydrophobicContact CB-CZ3 4.22Å; P24-W101 HydrophobicContact CG-CH2 4.13Å; T54-W101 PolarHBondContact O-NE1 3.29Å; F99-W101 HydrophobicContact CB-CD2 3.67Å; F99-W101 HydrophobicContact CB-CE3 4.14Å; F99-W101 HydrophobicContact CB-CG 4.11Å; F99-W101 HydrophobicContact CB-CH2 4.14Å; F99-W101 HydrophobicContact CB-CZ2 3.66Å; F99-W101 HydrophobicContact CB-CZ3 4.36Å; F99-W101 AromaticContact CD1-CE2 3.85Å; F99-W101 AromaticContact CD1-CH2 3.6Å; F99-W101 HydrophobicContact CD1-CH2 3.6Å; F99-W101 AromaticContact CD1-CZ2 3.2Å; F99-W101 HydrophobicContact CD1-CZ2 3.2Å; F99-W101 HydrophobicContact CD1-CZ3 4.5Å; F99-W101 HydrophobicContact CD2-CZ2 4.4Å; F99-W101 HydrophobicContact CE1-CH2 4.37Å; F99-W101 AromaticContact CE1-CZ2 3.89Å; F99-W101 HydrophobicContact CE1-CZ2 3.89Å; F99-W101 HydrophobicContact CG-CD2 4.41Å; F99-W101 AromaticContact CG-CE2 3.62Å; F99-W101 HydrophobicContact CG-CH2 4.17Å; F99-W101 AromaticContact CG-CZ2 3.5Å; F99-W101 HydrophobicContact CG-CZ2 3.5Å; F99-W101 AromaticContact CG-NE1 3.79Å; F99-W101 PolarHBondContact O-N 2.86Å; F99-W101 VanDerWaalsContact O-N 3.08Å; W101-H103 PolarHBondContact O-N 3.5Å; W101-Q104 PolarHBondContact O-N 3.16Å
102S55Low53.2Low68 Ų6896.4 Ų96.448%0.47654%0.538SS..THydrogen-bonded Turntrans-75.20.8175.451.60000113.8F99F99-S102 PolarHBondContact N-OG 3.09Å; F99-S102 PolarHBondContact O-N 2.85Å; F99-S102 PolarHBondContact O-OG 3.09Å
103H47.4Very low51.4Low185 Ų18593.4 Ų93.486%0.85654%0.535SS*.THydrogen-bonded Turntrans-91.80166.3-81.9-81.1000114.4W101W101-H103 PolarHBondContact O-N 3.5Å
104Q40.2Very low49.7Very low135 Ų135100.8 Ų100.863%0.63156%0.558SS**SBendtrans-101114.2169.1-73174.8-800108.2W101 V106W101-Q104 PolarHBondContact O-N 3.16Å; Q104-V106 PolarHBondContact O-N 3.33Å
105S32.2Very low47.6Very low108 Ų108108.9 Ų108.976%0.75560%0.595SS**  trans-41.1121.1-179.243.90000112Q107S105-Q107 PolarHBondContact O-N 3.27Å
106V34Very low45.4Very low108 Ų108114 Ų11466%0.65563%0.628SS**  trans-75.3108.9155.1171.80000104.9Q104Q104-V106 PolarHBondContact O-N 3.33Å
107Q32.3Very low43.2Very low162 Ų162123.1 Ų123.176%0.75767%0.671SS**PPolyproline II helixtrans-51.7135158.4-73.4-94.8-14.800107.8S105S105-Q107 PolarHBondContact O-N 3.27Å
108P32.4Very low41.1Very low106 Ų106125.1 Ų125.169%0.68869%0.688SS**PPolyproline II helixtrans-59.1144.4178.623.7-30.5000110R110P108-R110 PolarHBondContact O-N 3.48Å
109P33Very low39.2Very low117 Ų117132.6 Ų132.676%0.7671%0.711SS**PPolyproline II helixtrans-60.8126.1175.3-14.927.4000109.4A111P109-A111 PolarHBondContact O-N 2.81Å
110R34.1Very low37.3Very low247 Ų247137.9 Ų137.993%0.93275%0.747SS**PPolyproline II helixtrans-55.6121.5160.9-81.2-179.6174.8172.6-2.6107.7P108P108-R110 PolarHBondContact O-N 3.48Å
111A34.1Very low36.1Very low105 Ų105140.7 Ų140.787%0.86876%0.757SS**SBendtrans-64.7132.5169.600000109.4P109P109-A111 PolarHBondContact O-N 2.81Å
112G36.6Very low35.4Very low72 Ų72144 Ų14474%0.74278%0.783SS**  trans103.972.415700000116.8
113Q30.2Very low34.4Very low196 Ų196149 Ų14992%0.91680%0.804SS**  trans-139.3103.4141.3-73.2-168.1-43.900107.6
114Q31.2Very low33.7Very low197 Ų197143.6 Ų143.692%0.92180%0.798SS**PPolyproline II helixtrans-65.1138.6166.1-81.8173.3-43.400108.9
115E30.2Very low33.6Very low180 Ų180149.1 Ų149.184%0.84181%0.813SS**PPolyproline II helixtrans-62.5152.8176.8-74.8179.314600111.9
116P29.9Very low33.6Very low128 Ų128148.8 Ų148.883%0.83182%0.817SS**PPolyproline II helixtrans-80.3119.4174.831.1-28.3000110.2
117E31.4Very low33.7Very low191 Ų191148.5 Ų148.589%0.89383%0.826SS**PPolyproline II helixtrans-91.7151.4161.4-84.5-168.4157.200111.8
118S32.2Very low33.8Very low107 Ų107148.4 Ų148.475%0.74883%0.83SS**PPolyproline II helixtrans-56.7147.5-164.342.40000118
119R30.8Very low34.4Very low234 Ų234149.2 Ų149.288%0.88384%0.836SS**PPolyproline II helixtrans-60.1145.3159.9-69.6-179.5175.3177.6-2.5111.9
120P33.8Very low35Very low126 Ų126149 Ų14982%0.81884%0.835SS**  -113.9154.7126.73.517000111.2
121D34.3Very low35.2Very low148 Ų148144.3 Ų144.379%0.79183%0.833SS**  trans-73.8176.7-174.9-110.1-16.6000114
122P48.2Very low35.4Very low104 Ų104142 Ų14268%0.67582%0.82SS**  trans-91.6147.5-147.337.2-34.9000114.2
123D33.9Very low35.2Very low174 Ų174149.1 Ų149.193%0.9383%0.83SS**  trans-177.2142.2140-106.4-25000112.1
124G33.2Very low35.6Very low70 Ų70144.7 Ų144.772%0.72282%0.821SS**  trans101.291.7151.100000119.7
125R37.7Very low36.1Very low251 Ų251142.3 Ų142.395%0.94781%0.814SS**  trans17.5124.2142.1-58.6175.5-178.7-178.2-0.5119.3
126A32.1Very low36.8Very low101 Ų101140.3 Ų140.384%0.83581%0.808SS**  158.2126.7109.100000114.4
127A35.3Very low37.3Very low102 Ų102141.3 Ų141.384%0.84381%0.807SS**  trans51123142.300000123
128D35.9Very low38.2Very low160 Ų160139.4 Ų139.486%0.85680%0.798SS**  trans-62.4162.6164.6-64.1-49.3000114.2
129P44.8Very low39.1Very low123 Ų123141 Ų14180%0.79980%0.797SS**  -139.7168.1122.331.4-13.2000115.4
130P45Very low40.2Very low114 Ų114140.4 Ų140.474%0.7480%0.797SS**  trans-108156.4-144.838.9-32.5000117.2
131V38.8Very low41.1Very low148 Ų148139.5 Ų139.590%0.89779%0.792SS**  trans65.6121.3137.9-179.10000120.9
132G38.2Very low42.1Very low57 Ų57137.6 Ų137.659%0.58879%0.791SS**  125.5107.311800000116.7
133F32.6Very low42.7Very low220 Ų220138.6 Ų138.697%0.96580%0.795SS**  trans-160142.2140.3-111.3-80.7000111.2
134S39.3Very low43.8Very low103 Ų103133.9 Ų133.972%0.7277%0.774SS**  trans-63.3136.4-162.4-165.30000116
135L40.5Very low45Very low148 Ų148137.1 Ų137.178%0.77577%0.77SS**  trans-69.1123.9160.9-102.5137.3000109.6
136L45.7Very low46Very low137 Ų137129.8 Ų129.872%0.71776%0.755SS**  trans-105.9108.5152.9-112.579.8000106.2H138L136-H138 PolarHBondContact O-N 2.99Å
137D39.9Very low47.4Very low149 Ų149127.7 Ų127.780%0.79774%0.737SS**  trans-67119.3169.7-92.7-29.1000109
138H49.6Very low48.6Very low152 Ų152127.8 Ų127.870%0.70472%0.724SS**  trans-97.3116.1164.5-78.3-62000108.6L136 Y140L136-H138 PolarHBondContact O-N 2.99Å; H138-Y140 PolarHBondContact O-N 2.91Å
139D52.5Low49.8Very low139 Ų139125 Ų12574%0.74371%0.709SS**  trans-6397.1177-1722.9000110.8C141D139-C141 PolarHBondContact OD1-N 3.15Å
140Y53.1Low51Low222 Ų222124.4 Ų124.487%0.87170%0.699SS**  trans-97.421.7-179.6-136.3-84.9000112.3H138H138-Y140 PolarHBondContact O-N 2.91Å
141C52.4Low52.3Low107 Ų107122.5 Ų122.572%0.72369%0.685SS**  trans-118.152-174.7-71.50000113.1D139D139-C141 PolarHBondContact OD1-N 3.15Å
142S56.4Low53.9Low108 Ų108117.5 Ų117.576%0.75566%0.659SS**  trans-91.397.7159-53.50000108.8
143V59.5Low55.7Low126 Ų126116.3 Ų116.376%0.76465%0.647SS**PPolyproline II helixtrans-73.2127.3171.1-175.40000107.5E145V143-E145 PolarHBondContact O-N 2.65Å
144P57.4Low57.9Low75 Ų75111.1 Ų111.149%0.48763%0.629SS.*PPolyproline II helixtrans-55.7139.5175.5-21.530.9000110.5L149P144-L149 HydrophobicContact CB-CD1 4.38Å; P144-L149 HydrophobicContact CB-CG 4.34Å
145E58.7Low59.9Low138 Ų138111.7 Ų111.765%0.64562%0.621SS**PPolyproline II helixtrans-60143.2178.5-87.5-155.6151.300110.5V143 A147 D148V143-E145 PolarHBondContact O-N 2.65Å; E145-A147 PolarHBondContact O-N 3.48Å; E145-D148 PolarHBondContact O-N 2.89Å
146P59.5Low61.7Low96 Ų96108.8 Ų108.862%0.62361%0.606SS**Hα-helixtrans-54-30.3-177.1-25.332.6000113.9L149 D150P146-L149 PolarHBondContact O-N 3.38Å; P146-D150 PolarHBondContact O-N 3.34Å; P146-D150 VanDerWaalsContact O-N 3.13Å
147A60.1Low63.6Low57 Ų57107.1 Ų107.147%0.47159%0.594SS.*Hα-helixtrans-68-33.4179.300000113.5E145 T151E145-A147 PolarHBondContact O-N 3.48Å; A147-T151 WeakPolarHBondContact O-CB 3.48Å; A147-T151 PolarHBondContact O-N 3.32Å; A147-T151 VanDerWaalsContact O-N 3.07Å; A147-T151 PolarHBondContact O-OG1 2.94Å
148D60.4Low65.8Low105 Ų105104 Ų10456%0.56158%0.581SS**Hα-helixtrans-74.1-33.6179.1-66.6-31.2000111.2E145 A152E145-D148 PolarHBondContact O-N 2.89Å; D148-A152 WeakPolarHBondContact O-CB 3.31Å; D148-A152 PolarHBondContact O-N 3.32Å; D148-A152 VanDerWaalsContact O-N 3.08Å
149L61.4Low67.5Low102 Ų102101.5 Ų101.553%0.53457%0.572SS.*Hα-helixtrans-69.7-40.6174.9-76.3163.3000112.1P144 P146 G153P144-L149 HydrophobicContact CB-CD1 4.38Å; P144-L149 HydrophobicContact CB-CG 4.34Å; P146-L149 PolarHBondContact O-N 3.38Å; L149-G153 PolarHBondContact O-N 3.13Å
150D69.6Low69Low110 Ų110100.4 Ų100.459%0.58856%0.561SS**Hα-helixtrans-68.9-37.7176.9-77.9-13.1000111.8P146 G153 N154P146-D150 PolarHBondContact O-N 3.34Å; P146-D150 VanDerWaalsContact O-N 3.13Å; D150-G153 PolarHBondContact O-N 3.31Å; D150-N154 VanDerWaalsContact O-CG 3.24Å; D150-N154 PolarHBondContact O-N 3.12Å; D150-N154 PolarHBondContact O-ND2 3.38Å; D150-N154 VanDerWaalsContact O-ND2 3.17Å
151T71.8Confident70.6Confident73 Ų7396.4 Ų96.445%0.44855%0.55SS.*Hα-helixtrans-65-46.8176-54.10000111.1A147 G153 N154 E155A147-T151 WeakPolarHBondContact O-CB 3.48Å; A147-T151 PolarHBondContact O-N 3.32Å; A147-T151 VanDerWaalsContact O-N 3.07Å; A147-T151 PolarHBondContact O-OG1 2.94Å; T151-G153 VanDerWaalsContact C-N 3.29Å; T151-G153 PolarHBondContact O-N 3.29Å; T151-N154 PolarHBondContact O-N 2.93Å; T151-E155 WeakPolarHBondContact O-CG 3.39Å; T151-E155 PolarHBondContact O-N 2.94Å
152A73.2Confident72.3Confident43 Ų4395.5 Ų95.536%0.35554%0.535SS..Hα-helixtrans-65.3-31.3174.900000112.9D148 N156D148-A152 WeakPolarHBondContact O-CB 3.31Å; D148-A152 PolarHBondContact O-N 3.32Å; D148-A152 VanDerWaalsContact O-N 3.08Å; A152-N156 WeakPolarHBondContact O-CB 3.39Å; A152-N156 PolarHBondContact O-N 3.02Å; A152-N156 PolarHBondContact O-ND2 3.47Å
153G76.6Confident73.4Confident33 Ų3395.1 Ų95.134%0.3452%0.523SS..Hα-helixtrans-63.7-47.7173.100000111.9L149 D150 T151 N156 E157L149-G153 PolarHBondContact O-N 3.13Å; D150-G153 PolarHBondContact O-N 3.31Å; T151-G153 VanDerWaalsContact C-N 3.29Å; T151-G153 PolarHBondContact O-N 3.29Å; G153-N156 PolarHBondContact O-N 3.04Å; G153-E157 PolarHBondContact O-N 3.27Å
154N77.4Confident74.4Confident111 Ų11196 Ų9659%0.59452%0.517SS*.Hα-helixtrans-65.2-44.9178.6-67.7-29.2000111.9D150 T151 N156 E157 T158D150-N154 VanDerWaalsContact O-CG 3.24Å; D150-N154 PolarHBondContact O-N 3.12Å; D150-N154 PolarHBondContact O-ND2 3.38Å; D150-N154 VanDerWaalsContact O-ND2 3.17Å; T151-N154 PolarHBondContact O-N 2.93Å; N154-N156 VanDerWaalsContact C-N 3.3Å; N154-N156 PolarHBondContact O-N 2.96Å; N154-E157 PolarHBondContact O-N 3.18Å; N154-T158 WeakPolarHBondContact O-CG2 3.31Å; N154-T158 PolarHBondContact O-N 3.43Å
155E81.7Confident75.3Confident115 Ų11597.9 Ų97.954%0.53752%0.518SS..Hα-helixtrans-59.1-42174.9-72.7178.5179.300111.6T151 E157 T158 L159T151-E155 WeakPolarHBondContact O-CG 3.39Å; T151-E155 PolarHBondContact O-N 2.94Å; E155-E157 PolarHBondContact O-N 3.45Å; E155-T158 WeakPolarHBondContact CA-OG1 3.32Å; E155-T158 PolarHBondContact O-N 2.97Å; E155-T158 PolarHBondContact O-OG1 3.46Å; E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 VanDerWaalsContact O-CG 3.31Å; E155-L159 WeakPolarHBondContact O-CG 3.29Å; E155-L159 PolarHBondContact O-N 3.23Å
156N78.6Confident76.2Confident87 Ų8795.6 Ų95.647%0.46551%0.507SS..Hα-helixtrans-63.4-37.9176-86.9-59.8000113A152 G153 N154 K160A152-N156 WeakPolarHBondContact O-CB 3.39Å; A152-N156 PolarHBondContact O-N 3.02Å; A152-N156 PolarHBondContact O-ND2 3.47Å; G153-N156 PolarHBondContact O-N 3.04Å; N154-N156 VanDerWaalsContact C-N 3.3Å; N154-N156 PolarHBondContact O-N 2.96Å; N156-K160 WeakPolarHBondContact O-CB 3.44Å; N156-K160 WeakPolarHBondContact O-CG 3.4Å; N156-K160 PolarHBondContact O-N 2.9Å
157E85.3Confident76.8Confident101 Ų10194.3 Ų94.347%0.47250%0.497SS..Hα-helixtrans-68.4-42175-68.2-53.1134.200111.5G153 N154 E155 L159 K160 E161G153-E157 PolarHBondContact O-N 3.27Å; N154-E157 PolarHBondContact O-N 3.18Å; E155-E157 PolarHBondContact O-N 3.45Å; E157-L159 PolarHBondContact O-N 3.46Å; E157-K160 WeakPolarHBondContact O-CB 3.45Å; E157-K160 PolarHBondContact O-N 3.35Å; E157-K160 IonicContact OE1-NZ 3.86Å; E157-K160 PolarHBondContact OE1-NZ 3.23Å; E157-E161 PolarHBondContact O-N 3.3Å
158T86.5Confident77Confident85 Ų8598 Ų9852%0.52150%0.504SS..Hα-helixtrans-62.7-41.6175.463.20000112.5N154 E155 E161 E162N154-T158 WeakPolarHBondContact O-CG2 3.31Å; N154-T158 PolarHBondContact O-N 3.43Å; E155-T158 WeakPolarHBondContact CA-OG1 3.32Å; E155-T158 PolarHBondContact O-N 2.97Å; E155-T158 PolarHBondContact O-OG1 3.46Å; T158-E161 PolarHBondContact O-N 2.98Å; T158-E162 WeakPolarHBondContact O-CB 3.45Å; T158-E162 PolarHBondContact O-N 3.34Å
159L84.8Confident76.9Confident98 Ų9899.5 Ų99.551%0.51351%0.508SS..Hα-helixtrans-67.3-35.4176.2-72.1171.1000111.8E155 E157 E162 I163E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 VanDerWaalsContact O-CG 3.31Å; E155-L159 WeakPolarHBondContact O-CG 3.29Å; E155-L159 PolarHBondContact O-N 3.23Å; E157-L159 PolarHBondContact O-N 3.46Å; L159-E162 PolarHBondContact O-N 3.43Å; L159-I163 VanDerWaalsContact O-CB 3.29Å; L159-I163 WeakPolarHBondContact O-CB 3.38Å; L159-I163 WeakPolarHBondContact O-CD1 3.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.44Å; L159-I163 PolarHBondContact O-N 3.02Å
160K85.2Confident76.8Confident116 Ų116101.6 Ų101.650%0.50452%0.519SS..Hα-helixtrans-64.7-41.2173.7-78.5169.6-170171.70111.9N156 E157 K164N156-K160 WeakPolarHBondContact O-CB 3.44Å; N156-K160 WeakPolarHBondContact O-CG 3.4Å; N156-K160 PolarHBondContact O-N 2.9Å; E157-K160 WeakPolarHBondContact O-CB 3.45Å; E157-K160 PolarHBondContact O-N 3.35Å; E157-K160 IonicContact OE1-NZ 3.86Å; E157-K160 PolarHBondContact OE1-NZ 3.23Å; K160-K164 VanDerWaalsContact O-CB 3.25Å; K160-K164 WeakPolarHBondContact O-CB 3.3Å; K160-K164 PolarHBondContact O-N 2.97Å
161E85.9Confident76.2Confident139 Ų139103 Ų10365%0.6552%0.52SS*.Hα-helixtrans-66.6-42.7176.7-72.6-172.2157.700111.8E157 T158 K164 K165E157-E161 PolarHBondContact O-N 3.3Å; T158-E161 PolarHBondContact O-N 2.98Å; E161-K164 WeakPolarHBondContact O-CB 3.36Å; E161-K164 PolarHBondContact O-N 2.91Å; E161-K165 PolarHBondContact O-N 3.13Å
162E87.8Confident75.4Confident87 Ų87106.8 Ų106.841%0.40754%0.536SS..Hα-helixtrans-65.8-44177.3-174.458.3-152.400111.6T158 L159 K164 K165 Q166T158-E162 WeakPolarHBondContact O-CB 3.45Å; T158-E162 PolarHBondContact O-N 3.34Å; L159-E162 PolarHBondContact O-N 3.43Å; E162-K164 VanDerWaalsContact C-N 3.3Å; E162-K164 PolarHBondContact O-N 3.15Å; E162-K165 PolarHBondContact O-N 3.48Å; E162-Q166 WeakPolarHBondContact O-CG 3.37Å; E162-Q166 PolarHBondContact O-N 3.05Å; E162-Q166 PolarHBondContact OE1-NE2 3.1Å
163I80.3Confident74.5Confident100 Ų100108.3 Ų108.351%0.51354%0.542SS..Hα-helixtrans-61.1-40.8173.3-72.1167.7000110.6L159 K165 Q166 V167L159-I163 VanDerWaalsContact O-CB 3.29Å; L159-I163 WeakPolarHBondContact O-CB 3.38Å; L159-I163 WeakPolarHBondContact O-CD1 3.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.44Å; L159-I163 PolarHBondContact O-N 3.02Å; I163-K165 VanDerWaalsContact C-N 3.34Å; I163-K165 PolarHBondContact O-N 3.14Å; I163-Q166 PolarHBondContact O-N 3.01Å; I163-V167 HydrophobicContact CG2-CG2 4.2Å; I163-V167 VanDerWaalsContact O-CB 3.29Å; I163-V167 WeakPolarHBondContact O-CB 3.22Å; I163-V167 WeakPolarHBondContact O-CG2 3.31Å; I163-V167 PolarHBondContact O-N 2.81Å
164K79.7Confident73.5Confident146 Ų146112 Ų11264%0.63556%0.563SS**Hα-helixtrans-62.1-43.5177.7-176.2-177.2175.8-170.30111.2K160 E161 E162 V167 E168K160-K164 VanDerWaalsContact O-CB 3.25Å; K160-K164 WeakPolarHBondContact O-CB 3.3Å; K160-K164 PolarHBondContact O-N 2.97Å; E161-K164 WeakPolarHBondContact O-CB 3.36Å; E161-K164 PolarHBondContact O-N 2.91Å; E162-K164 VanDerWaalsContact C-N 3.3Å; E162-K164 PolarHBondContact O-N 3.15Å; K164-V167 PolarHBondContact O-N 3.14Å; K164-E168 WeakPolarHBondContact O-CB 3.39Å; K164-E168 PolarHBondContact O-N 2.89Å
165K77.3Confident73.2Confident113 Ų113110.4 Ų110.449%0.49156%0.561SS.*Hα-helixtrans-64.8-46.7177-172.9-175.4172.6-164.50111.9E161 E162 I163 V167 E168 E169E161-K165 PolarHBondContact O-N 3.13Å; E162-K165 PolarHBondContact O-N 3.48Å; I163-K165 VanDerWaalsContact C-N 3.34Å; I163-K165 PolarHBondContact O-N 3.14Å; K165-V167 VanDerWaalsContact C-N 3.33Å; K165-V167 PolarHBondContact O-N 3.35Å; K165-E168 WeakPolarHBondContact O-CB 3.35Å; K165-E168 PolarHBondContact O-N 3.17Å; K165-E168 VanDerWaalsContact O-N 3.09Å; K165-E169 WeakPolarHBondContact CE-OE1 3.34Å; K165-E169 PolarHBondContact O-N 3.49Å
166Q77.8Confident73.3Confident90 Ų90105.9 Ų105.942%0.42154%0.539SS..Hα-helixtrans-64.3-36.2176.8-69.8-179.813.800112.5E162 I163 E168 E169 L170E162-Q166 WeakPolarHBondContact O-CG 3.37Å; E162-Q166 PolarHBondContact O-N 3.05Å; E162-Q166 PolarHBondContact OE1-NE2 3.1Å; I163-Q166 PolarHBondContact O-N 3.01Å; Q166-E168 VanDerWaalsContact C-N 3.3Å; Q166-E168 PolarHBondContact O-N 3.42Å; Q166-E169 PolarHBondContact O-N 3.31Å; Q166-L170 VanDerWaalsContact O-CB 3.32Å; Q166-L170 WeakPolarHBondContact O-CB 3.3Å; Q166-L170 VanDerWaalsContact O-CG 3.25Å; Q166-L170 WeakPolarHBondContact O-CG 3.47Å; Q166-L170 PolarHBondContact O-N 2.88Å
167V71.3Confident73.8Confident69 Ų69102 Ų10242%0.41852%0.52SS..Hα-helixtrans-67-32.2173.31670000111.8I163 K164 K165 K171I163-V167 HydrophobicContact CG2-CG2 4.2Å; I163-V167 VanDerWaalsContact O-CB 3.29Å; I163-V167 WeakPolarHBondContact O-CB 3.22Å; I163-V167 WeakPolarHBondContact O-CG2 3.31Å; I163-V167 PolarHBondContact O-N 2.81Å; K164-V167 PolarHBondContact O-N 3.14Å; K165-V167 VanDerWaalsContact C-N 3.33Å; K165-V167 PolarHBondContact O-N 3.35Å; V167-K171 VanDerWaalsContact O-CG 3.27Å; V167-K171 WeakPolarHBondContact O-CG 3.49Å; V167-K171 PolarHBondContact O-N 3.31Å
168E63.7Low74Confident134 Ų13497.3 Ų97.363%0.62650%0.498SS*.Hα-helixtrans-74.8-37.2176.7-159.9148-149.900111.6K164 K165 Q166K164-E168 WeakPolarHBondContact O-CB 3.39Å; K164-E168 PolarHBondContact O-N 2.89Å; K165-E168 WeakPolarHBondContact O-CB 3.35Å; K165-E168 PolarHBondContact O-N 3.17Å; K165-E168 VanDerWaalsContact O-N 3.09Å; Q166-E168 VanDerWaalsContact C-N 3.3Å; Q166-E168 PolarHBondContact O-N 3.42Å
169E58.7Low73.9Confident137 Ų13799.7 Ų99.764%0.6450%0.503SS*.Hα-helixtrans-70-34.5173.2-72.4174.7-176.700113.2K165 Q166K165-E169 WeakPolarHBondContact CE-OE1 3.34Å; K165-E169 PolarHBondContact O-N 3.49Å; Q166-E169 PolarHBondContact O-N 3.31Å
170L60.3Low74Confident147 Ų147103 Ų10377%0.7751%0.509SS*.SBendtrans-85.5-8.7178.8-69170.7000114Q166 I172Q166-L170 VanDerWaalsContact O-CB 3.32Å; Q166-L170 WeakPolarHBondContact O-CB 3.3Å; Q166-L170 VanDerWaalsContact O-CG 3.25Å; Q166-L170 WeakPolarHBondContact O-CG 3.47Å; Q166-L170 PolarHBondContact O-N 2.88Å; L170-I172 PolarHBondContact O-N 2.95Å
171K55.8Low74.1Confident139 Ų13997.7 Ų97.760%0.60449%0.486SS*.  trans-73.8105.2170.1-87.9170-176173.30109V167 P173V167-K171 VanDerWaalsContact O-CG 3.27Å; V167-K171 WeakPolarHBondContact O-CG 3.49Å; V167-K171 PolarHBondContact O-N 3.31Å; K171-P173 WeakPolarHBondContact O-CD 3.46Å; K171-P173 VanDerWaalsContact O-N 3.16Å
172I55Low74Confident152 Ų15295 Ų9578%0.77948%0.478SS*.  trans-49.9123.5153.6-58.2170.3000105.9L170 S174L170-I172 PolarHBondContact O-N 2.95Å; I172-S174 PolarHBondContact O-N 3.41Å
173P54.7Low73.7Confident75 Ų7594.6 Ų94.649%0.48750%0.498SS..  trans-49.4120.2-178.2-26.231.5000109.5K171 S175K171-P173 WeakPolarHBondContact O-CD 3.46Å; K171-P173 VanDerWaalsContact O-N 3.16Å; P173-S175 PolarHBondContact O-N 3.37Å; P173-S175 VanDerWaalsContact O-N 3.16Å
174S56.8Low74.2Confident110 Ų11091.4 Ų91.477%0.76949%0.485SS*.SBendtrans-66.2-16.8-177.264.60000112.3I172 Q267I172-S174 PolarHBondContact O-N 3.41Å; S174-Q267 PolarHBondContact O-NE2 2.65Å
175S70.1Confident74.8Confident79 Ų7988.1 Ų88.155%0.55247%0.474SS*.SBendtrans-100131.7174490000110.8P173 G177P173-S175 PolarHBondContact O-N 3.37Å; P173-S175 VanDerWaalsContact O-N 3.16Å; S175-G177 PolarHBondContact O-N 2.83Å
176F83.8Confident75.6Confident19 Ų1988.9 Ų88.98%0.08348%0.484CS..  trans-68.7126.7170.2-173.3-86.6000109.3F181 M251 R265 F266F176-F181 HydrophobicContact CE1-CE2 4.42Å; F176-F181 HydrophobicContact CE2-CZ 4.25Å; F176-F181 HydrophobicContact CZ-CE2 4.05Å; F176-F181 AromaticContact CZ-CZ 3.76Å; F176-F181 HydrophobicContact CZ-CZ 3.76Å; F176-M251 HydrophobicContact CE1-CE 3.77Å; F176-M251 HydrophobicContact CE1-SD 3.7Å; F176-M251 HydrophobicContact CZ-CE 3.69Å; F176-M251 HydrophobicContact CZ-SD 4.07Å; F176-R265 WeakPolarHBondContact CB-O 3.31Å; F176-R265 HydrophobicContact CD1-CB 4.02Å; F176-R265 HydrophobicContact CD2-CB 4.35Å; F176-R265 HydrophobicContact CE1-CB 4.25Å; F176-R265 HydrophobicContact CG-CB 4.1Å; F176-F266 AromaticContact CD1-CD1 3.93Å; F176-F266 HydrophobicContact CD1-CD1 3.93Å; F176-F266 HydrophobicContact CD1-CD2 4.01Å; F176-F266 AromaticContact CD1-CE1 3.71Å; F176-F266 HydrophobicContact CD1-CE1 3.71Å; F176-F266 AromaticContact CD1-CE2 3.78Å; F176-F266 HydrophobicContact CD1-CE2 3.78Å; F176-F266 HydrophobicContact CD1-CG 4.1Å; F176-F266 AromaticContact CD1-CZ 3.64Å; F176-F266 HydrophobicContact CD1-CZ 3.64Å; F176-F266 HydrophobicContact CE1-CD2 4.31Å; F176-F266 HydrophobicContact CE1-CE1 4.13Å; F176-F266 AromaticContact CE1-CE2 3.68Å; F176-F266 HydrophobicContact CE1-CE2 3.68Å; F176-F266 AromaticContact CE1-CZ 3.59Å; F176-F266 HydrophobicContact CE1-CZ 3.59Å; F176-F266 WeakPolarHBondContact O-CD1 3.25Å
177G88.1Confident76.3Confident6 Ų687.9 Ų87.96%0.06248%0.481CS..SBendtrans-170-178.4-178.800000111.5S175 Q179 R180 D244S175-G177 PolarHBondContact O-N 2.83Å; G177-Q179 PolarHBondContact O-N 3.21Å; G177-Q179 VanDerWaalsContact O-N 3.15Å; G177-R180 VanDerWaalsContact O-CB 3.27Å; G177-R180 WeakPolarHBondContact O-CB 3.27Å; G177-R180 PolarHBondContact O-N 2.83Å; G177-D244 VanDerWaalsContact CA-OD1 3.23Å; G177-D244 WeakPolarHBondContact CA-OD1 3.33Å
178L89.6Confident77.4Confident3 Ų384.6 Ų84.62%0.01646%0.461CS..G310 helixtrans-57.8-33-173.7-175.469.1000112.8R180 F181 I188 Y197 F200 L201 I243 D244 L247L178-R180 PolarHBondContact O-N 3.28Å; L178-F181 PolarHBondContact O-N 3Å; L178-I188 HydrophobicContact CD1-CD1 3.78Å; L178-Y197 HydrophobicContact CD1-CE2 3.93Å; L178-Y197 HydrophobicContact CD2-CE2 4.24Å; L178-Y197 HydrophobicContact CG-CE2 3.73Å; L178-F200 HydrophobicContact CD1-CD1 3.89Å; L178-F200 HydrophobicContact CD1-CE1 3.73Å; L178-F200 HydrophobicContact CD1-CZ 4.33Å; L178-F200 HydrophobicContact CD2-CD1 3.91Å; L178-F200 HydrophobicContact CD2-CE1 3.69Å; L178-F200 HydrophobicContact CG-CE1 4.35Å; L178-L201 HydrophobicContact CD2-CD2 3.82Å; L178-I243 HydrophobicContact CD2-CD1 3.4Å; L178-I243 HydrophobicContact CD2-CG1 3.8Å; L178-D244 PolarHBondContact N-OD1 2.95Å; L178-L247 HydrophobicContact CB-CD2 4.06Å; L178-L247 HydrophobicContact CD1-CD1 4.23Å; L178-L247 HydrophobicContact CD1-CD2 4.33Å
179Q86.4Confident78.9Confident134 Ų13483.2 Ų83.263%0.62645%0.45SS*.G310 helixtrans-54.9-27.1178.1-67.1-62.8-25.200113.1G177 F181 V182G177-Q179 PolarHBondContact O-N 3.21Å; G177-Q179 VanDerWaalsContact O-N 3.15Å; Q179-F181 PolarHBondContact O-N 3.43Å; Q179-V182 WeakPolarHBondContact O-CB 3.26Å; Q179-V182 VanDerWaalsContact O-CG2 3.26Å; Q179-V182 WeakPolarHBondContact O-CG2 3.5Å; Q179-V182 PolarHBondContact O-N 2.9Å
180R86.1Confident80.6Confident167 Ų16781.4 Ų81.463%0.6344%0.44SS*.G310 helixtrans-64.3-25.4177.8-175.4172.1-179.9149.61.8113.5G177 L178G177-R180 VanDerWaalsContact O-CB 3.27Å; G177-R180 WeakPolarHBondContact O-CB 3.27Å; G177-R180 PolarHBondContact O-N 2.83Å; L178-R180 PolarHBondContact O-N 3.28Å
181F87.5Confident82.3Confident6 Ų676.2 Ų76.23%0.02641%0.411CS..G310 helixtrans-102.58.7-175.2-55.6-62.7000112.5F176 L178 Q179 G183 S184 D187 I188 Y191 Y197 L247F176-F181 HydrophobicContact CE1-CE2 4.42Å; F176-F181 HydrophobicContact CE2-CZ 4.25Å; F176-F181 HydrophobicContact CZ-CE2 4.05Å; F176-F181 AromaticContact CZ-CZ 3.76Å; F176-F181 HydrophobicContact CZ-CZ 3.76Å; L178-F181 PolarHBondContact O-N 3Å; Q179-F181 PolarHBondContact O-N 3.43Å; F181-G183 PolarHBondContact O-N 3.38Å; F181-S184 PolarHBondContact O-N 3.4Å; F181-D187 HydrophobicContact CD1-CB 3.54Å; F181-D187 HydrophobicContact CE1-CB 4.06Å; F181-D187 HydrophobicContact CG-CB 4.42Å; F181-I188 HydrophobicContact CB-CD1 3.5Å; F181-I188 VanDerWaalsContact CB-CD1 3.5Å; F181-I188 HydrophobicContact CB-CG1 3.88Å; F181-I188 HydrophobicContact CD2-CD1 4.45Å; F181-I188 HydrophobicContact CG-CD1 4.24Å; F181-Y191 HydrophobicContact CD1-CD2 4.3Å; F181-Y191 AromaticContact CE1-CD2 3.55Å; F181-Y191 HydrophobicContact CE1-CD2 3.55Å; F181-Y191 AromaticContact CE1-CE2 3.5Å; F181-Y191 HydrophobicContact CE1-CE2 3.5Å; F181-Y191 VanDerWaalsContact CE1-CE2 3.5Å; F181-Y191 HydrophobicContact CE2-CD2 4.27Å; F181-Y191 AromaticContact CZ-CD2 3.52Å; F181-Y191 HydrophobicContact CZ-CD2 3.52Å; F181-Y191 AromaticContact CZ-CE2 3.62Å; F181-Y191 HydrophobicContact CZ-CE2 3.62Å; F181-Y191 HydrophobicContact CZ-CG 4.35Å; F181-Y197 WeakPolarHBondContact O-CD2 3.29Å; F181-L247 HydrophobicContact CD2-CD1 4.47Å; F181-L247 HydrophobicContact CD2-CD2 4.23Å; F181-L247 HydrophobicContact CE2-CD1 4.4Å; F181-L247 HydrophobicContact CE2-CD2 4.04Å
182V83.6Confident84.2Confident81 Ų8169.6 Ų69.649%0.49138%0.382SS..THydrogen-bonded Turntrans-60.8122.7173175.70000108.6Q179 Y197Q179-V182 WeakPolarHBondContact O-CB 3.26Å; Q179-V182 VanDerWaalsContact O-CG2 3.26Å; Q179-V182 WeakPolarHBondContact O-CG2 3.5Å; Q179-V182 PolarHBondContact O-N 2.9Å; V182-Y197 HydrophobicContact CB-CE2 4.43Å; V182-Y197 HydrophobicContact CG2-CE1 4.16Å; V182-Y197 HydrophobicContact CG2-CE2 3.74Å; V182-Y197 WeakPolarHBondContact CG2-OH 3.29Å
183G80.4Confident86.1Confident79 Ų7963.9 Ų63.981%0.81435%0.351SS*.THydrogen-bonded Turntrans87.63178.700000115.7F181F181-G183 PolarHBondContact O-N 3.38Å
184S91.2Very high88Confident34 Ų3460.3 Ų60.324%0.23833%0.328CS..  trans-123.892.5173.9-176.40000110.8F181 D186 D187 I188F181-S184 PolarHBondContact O-N 3.4Å; S184-D186 PolarHBondContact O-N 3.47Å; S184-D187 VanDerWaalsContact CB-OD2 3.27Å; S184-D187 WeakPolarHBondContact CB-OD2 3.35Å; S184-D187 PolarHBondContact O-N 3.09Å; S184-D187 WeakPolarHBondContact OG-CB 3.33Å; S184-D187 PolarHBondContact OG-N 3.1Å; S184-D187 PolarHBondContact OG-OD2 3.36Å; S184-I188 PolarHBondContact O-N 3.36Å
185D92.8Very high89.8Confident77 Ų7757.6 Ų57.641%0.41230%0.303SS..Hα-helixtrans-65.3-30.8176-77.5-19.1000111.7I188 R189 S196 Y197D185-I188 PolarHBondContact O-N 2.91Å; D185-R189 VanDerWaalsContact O-CB 3.27Å; D185-R189 WeakPolarHBondContact O-CB 3.26Å; D185-R189 PolarHBondContact O-N 2.75Å; D185-S196 VanDerWaalsContact CG-CB 3.47Å; D185-S196 VanDerWaalsContact OD1-CA 3.26Å; D185-S196 WeakPolarHBondContact OD1-CA 3.47Å; D185-S196 VanDerWaalsContact OD1-CB 3.28Å; D185-S196 WeakPolarHBondContact OD1-CB 3.46Å; D185-S196 WeakPolarHBondContact OD2-CB 3.4Å; D185-Y197 PolarHBondContact OD1-N 2.92Å
186D93.8Very high90.9Very high129 Ų12954.7 Ų54.769%0.6928%0.282SS*.Hα-helixtrans-63.6-44.4176.1-73-23.9000112S184 R189 F190S184-D186 PolarHBondContact O-N 3.47Å; D186-R189 PolarHBondContact O-N 2.86Å; D186-F190 WeakPolarHBondContact O-CB 3.48Å; D186-F190 PolarHBondContact O-N 3.49Å
187D93Very high91.2Very high69 Ų6955.2 Ų55.237%0.36928%0.284SS..Hα-helixtrans-67.6-40.9177.2-71.1-45.4000111.4F181 S184 R189 F190 Y191F181-D187 HydrophobicContact CD1-CB 3.54Å; F181-D187 HydrophobicContact CE1-CB 4.06Å; F181-D187 HydrophobicContact CG-CB 4.42Å; S184-D187 VanDerWaalsContact CB-OD2 3.27Å; S184-D187 WeakPolarHBondContact CB-OD2 3.35Å; S184-D187 PolarHBondContact O-N 3.09Å; S184-D187 WeakPolarHBondContact OG-CB 3.33Å; S184-D187 PolarHBondContact OG-N 3.1Å; S184-D187 PolarHBondContact OG-OD2 3.36Å; D187-R189 VanDerWaalsContact C-N 3.34Å; D187-R189 PolarHBondContact O-N 3.01Å; D187-F190 PolarHBondContact O-N 3.06Å; D187-Y191 HydrophobicContact CB-CD2 4.44Å; D187-Y191 WeakPolarHBondContact O-CB 3.47Å; D187-Y191 VanDerWaalsContact O-CD2 3.25Å; D187-Y191 WeakPolarHBondContact O-CD2 3.43Å; D187-Y191 PolarHBondContact O-N 2.97Å
188I94.8Very high91.4Very high0 Ų063.2 Ų63.20%031%0.312CS..Hα-helixtrans-60.8-45.9174.9-72-66000110.8L178 F181 S184 D185 F190 Y191 T192 F194 Y197 F200L178-I188 HydrophobicContact CD1-CD1 3.78Å; F181-I188 HydrophobicContact CB-CD1 3.5Å; F181-I188 VanDerWaalsContact CB-CD1 3.5Å; F181-I188 HydrophobicContact CB-CG1 3.88Å; F181-I188 HydrophobicContact CD2-CD1 4.45Å; F181-I188 HydrophobicContact CG-CD1 4.24Å; S184-I188 PolarHBondContact O-N 3.36Å; D185-I188 PolarHBondContact O-N 2.91Å; I188-F190 VanDerWaalsContact C-N 3.32Å; I188-F190 PolarHBondContact O-N 2.99Å; I188-Y191 PolarHBondContact O-N 2.91Å; I188-T192 WeakPolarHBondContact CG2-OG1 3.41Å; I188-T192 WeakPolarHBondContact O-CA 3.41Å; I188-T192 WeakPolarHBondContact O-CB 3.38Å; I188-T192 PolarHBondContact O-N 3.16Å; I188-T192 PolarHBondContact O-OG1 3.19Å; I188-F194 HydrophobicContact CG2-CB 4.19Å; I188-Y197 HydrophobicContact CD1-CD2 3.62Å; I188-Y197 HydrophobicContact CD1-CE2 4.2Å; I188-Y197 HydrophobicContact CG1-CD2 3.65Å; I188-Y197 HydrophobicContact CG1-CG 4.28Å; I188-F200 HydrophobicContact CG2-CB 4.28Å
189R94.8Very high91.6Very high105 Ų10565.3 Ų65.340%0.39632%0.323SS..Hα-helixtrans-62.1-42.6177.3-176.1178.5176161.26.6111.4D185 D186 D187 R193 F194 E195D185-R189 VanDerWaalsContact O-CB 3.27Å; D185-R189 WeakPolarHBondContact O-CB 3.26Å; D185-R189 PolarHBondContact O-N 2.75Å; D186-R189 PolarHBondContact O-N 2.86Å; D187-R189 VanDerWaalsContact C-N 3.34Å; D187-R189 PolarHBondContact O-N 3.01Å; R189-R193 WeakPolarHBondContact O-CA 3.39Å; R189-R193 PolarHBondContact O-N 2.79Å; R189-R193 PolarHBondContact O-NE 3.32Å; R189-R193 VanDerWaalsContact O-NE 3.13Å; R189-F194 WeakPolarHBondContact CA-O 3.37Å; R189-F194 WeakPolarHBondContact CB-O 3.44Å; R189-F194 PolarHBondContact N-O 3.23Å; R189-E195 IonicContact CZ-OE1 2.63Å; R189-E195 IonicContact CZ-OE2 3.2Å; R189-E195 VanDerWaalsContact CZ-OE2 3.29Å; R189-E195 IonicContact NE-OE2 3.76Å; R189-E195 IonicContact NH1-OE1 3.99Å; R189-E195 PolarHBondContact NH1-OE1 3.04Å; R189-E195 IonicContact NH1-OE2 2.97Å; R189-E195 PolarHBondContact NH1-OE2 2.92Å; R189-E195 IonicContact NH2-OE2 3.92Å
190F94.8Very high92Very high99 Ų9958.9 Ų58.943%0.43429%0.293SS..Hα-helixtrans-60.1-51.3176.1179.1-95.2000111.7D186 D187 I188 R193 A255D186-F190 WeakPolarHBondContact O-CB 3.48Å; D186-F190 PolarHBondContact O-N 3.49Å; D187-F190 PolarHBondContact O-N 3.06Å; I188-F190 VanDerWaalsContact C-N 3.32Å; I188-F190 PolarHBondContact O-N 2.99Å; F190-R193 PolarHBondContact O-NH2 3.34Å; F190-A255 HydrophobicContact CE1-CB 4.02Å; F190-A255 HydrophobicContact CZ-CB 4.37Å
191Y95.6Very high92.4Very high37 Ų3752.9 Ų52.915%0.14527%0.273CS..Hα-helixtrans-84.1-17.9-172.9-75.7-58.6000114.9F181 D187 I188 Q250 M251 A254 A255 L257F181-Y191 HydrophobicContact CD1-CD2 4.3Å; F181-Y191 AromaticContact CE1-CD2 3.55Å; F181-Y191 HydrophobicContact CE1-CD2 3.55Å; F181-Y191 AromaticContact CE1-CE2 3.5Å; F181-Y191 HydrophobicContact CE1-CE2 3.5Å; F181-Y191 VanDerWaalsContact CE1-CE2 3.5Å; F181-Y191 HydrophobicContact CE2-CD2 4.27Å; F181-Y191 AromaticContact CZ-CD2 3.52Å; F181-Y191 HydrophobicContact CZ-CD2 3.52Å; F181-Y191 AromaticContact CZ-CE2 3.62Å; F181-Y191 HydrophobicContact CZ-CE2 3.62Å; F181-Y191 HydrophobicContact CZ-CG 4.35Å; D187-Y191 HydrophobicContact CB-CD2 4.44Å; D187-Y191 WeakPolarHBondContact O-CB 3.47Å; D187-Y191 VanDerWaalsContact O-CD2 3.25Å; D187-Y191 WeakPolarHBondContact O-CD2 3.43Å; D187-Y191 PolarHBondContact O-N 2.97Å; I188-Y191 PolarHBondContact O-N 2.91Å; Y191-Q250 CarbonylContact O-C 3.45Å; Y191-M251 HydrophobicContact CD1-CE 3.77Å; Y191-M251 HydrophobicContact CD1-CG 3.76Å; Y191-M251 HydrophobicContact CD1-SD 4.29Å; Y191-M251 HydrophobicContact CE1-CE 3.83Å; Y191-M251 HydrophobicContact CG-CE 4.47Å; Y191-M251 HydrophobicContact CG-CG 4.06Å; Y191-M251 VanDerWaalsContact O-CA 3.31Å; Y191-M251 WeakPolarHBondContact O-CA 3.23Å; Y191-M251 PolarHBondContact O-N 2.91Å; Y191-A254 WeakPolarHBondContact O-CB 3.47Å; Y191-A255 HydrophobicContact CD1-CB 4.12Å; Y191-L257 HydrophobicContact CE1-CD1 4.22Å
192T95.4Very high92.7Very high0 Ų057.1 Ų57.10%029%0.294CS..Hα-helixtrans-133.4-9.4-171.777.10000115.4I188 F194 F200 L247 Q250 Q476I188-T192 WeakPolarHBondContact CG2-OG1 3.41Å; I188-T192 WeakPolarHBondContact O-CA 3.41Å; I188-T192 WeakPolarHBondContact O-CB 3.38Å; I188-T192 PolarHBondContact O-N 3.16Å; I188-T192 PolarHBondContact O-OG1 3.19Å; T192-F194 WeakPolarHBondContact O-CD2 3.28Å; T192-F194 PolarHBondContact O-N 2.82Å; T192-F194 VanDerWaalsContact O-N 3.13Å; T192-F194 PolarHBondContact OG1-N 2.97Å; T192-F200 HydrophobicContact CG2-CD2 3.82Å; T192-F200 HydrophobicContact CG2-CE2 3.72Å; T192-L247 HydrophobicContact CG2-CD1 3.68Å; T192-Q250 HydrophobicContact CG2-CB 4.02Å; T192-Q250 PolarHBondContact O-NE2 2.91Å; T192-Q476 PolarHBondContact O-NE2 3.28Å; T192-Q476 VanDerWaalsContact O-NE2 3.12Å
193R95Very high93.3Very high33 Ų3353.6 Ų53.613%0.12527%0.272CS..  trans62.4-3.1-169.3-59.6-64.1101.9149.510.7115.5R189 F190 A254 E446 Q476R189-R193 WeakPolarHBondContact O-CA 3.39Å; R189-R193 PolarHBondContact O-N 2.79Å; R189-R193 PolarHBondContact O-NE 3.32Å; R189-R193 VanDerWaalsContact O-NE 3.13Å; F190-R193 PolarHBondContact O-NH2 3.34Å; R193-A254 HydrophobicContact CG-CB 3.72Å; R193-E446 PolarHBondContact NH1-O 2.65Å; R193-Q476 HydrophobicContact CB-CG 4.22Å; R193-Q476 WeakPolarHBondContact O-CB 3.43Å
194F95.2Very high94Very high0 Ų050.8 Ų50.80%024%0.237CC..  trans-69.9133.6171.1-74.9-95.8000110.2I188 R189 T192 S196 L199 F200 F203 L472 Y475 Q476I188-F194 HydrophobicContact CG2-CB 4.19Å; R189-F194 WeakPolarHBondContact CA-O 3.37Å; R189-F194 WeakPolarHBondContact CB-O 3.44Å; R189-F194 PolarHBondContact N-O 3.23Å; T192-F194 WeakPolarHBondContact O-CD2 3.28Å; T192-F194 PolarHBondContact O-N 2.82Å; T192-F194 VanDerWaalsContact O-N 3.13Å; T192-F194 PolarHBondContact OG1-N 2.97Å; F194-S196 PolarHBondContact O-N 3.17Å; F194-S196 VanDerWaalsContact O-N 3.1Å; F194-L199 HydrophobicContact CD1-CB 4.05Å; F194-F200 HydrophobicContact CB-CB 4.09Å; F194-F200 HydrophobicContact CD1-CB 4.46Å; F194-F200 HydrophobicContact CD2-CB 4.39Å; F194-F200 AromaticContact CD2-CD2 3.64Å; F194-F200 HydrophobicContact CD2-CD2 3.64Å; F194-F200 HydrophobicContact CD2-CE2 4.47Å; F194-F200 HydrophobicContact CD2-CG 4.48Å; F194-F200 AromaticContact CE2-CD2 3.99Å; F194-F200 HydrophobicContact CE2-CD2 3.99Å; F194-F200 HydrophobicContact CG-CB 4.06Å; F194-F200 HydrophobicContact CG-CD2 4.17Å; F194-F203 HydrophobicContact CE1-CB 3.62Å; F194-F203 HydrophobicContact CE1-CD1 4.38Å; F194-F203 AromaticContact CE1-CG 3.97Å; F194-F203 HydrophobicContact CE1-CG 3.97Å; F194-F203 HydrophobicContact CE2-CD1 4.39Å; F194-F203 HydrophobicContact CZ-CB 3.78Å; F194-F203 AromaticContact CZ-CD1 3.65Å; F194-F203 HydrophobicContact CZ-CD1 3.65Å; F194-F203 HydrophobicContact CZ-CD2 4.32Å; F194-F203 HydrophobicContact CZ-CE1 4.31Å; F194-F203 AromaticContact CZ-CG 3.65Å; F194-F203 HydrophobicContact CZ-CG 3.65Å; F194-L472 HydrophobicContact CZ-CD2 4.5Å; F194-Y475 WeakPolarHBondContact CD1-O 2.99Å; F194-Y475 WeakPolarHBondContact CE1-O 3.41Å; F194-Q476 CarbonylContact C-O 3.54Å; F194-Q476 WeakPolarHBondContact CA-O 3.32Å; F194-Q476 HydrophobicContact CD1-CG 4.18Å; F194-Q476 HydrophobicContact CD2-CG 3.79Å; F194-Q476 HydrophobicContact CE1-CG 4.13Å; F194-Q476 HydrophobicContact CE2-CG 3.74Å; F194-Q476 HydrophobicContact CG-CG 4.02Å; F194-Q476 HydrophobicContact CZ-CG 3.91Å
195E93.3Very high94.1Very high53 Ų5356.8 Ų56.825%0.24825%0.254CS..SBendtrans-61.7-22.2-176.1-171.466.7-161.900113R189 L199 Q476R189-E195 IonicContact CZ-OE1 2.63Å; R189-E195 IonicContact CZ-OE2 3.2Å; R189-E195 VanDerWaalsContact CZ-OE2 3.29Å; R189-E195 IonicContact NE-OE2 3.76Å; R189-E195 IonicContact NH1-OE1 3.99Å; R189-E195 PolarHBondContact NH1-OE1 3.04Å; R189-E195 IonicContact NH1-OE2 2.97Å; R189-E195 PolarHBondContact NH1-OE2 2.92Å; R189-E195 IonicContact NH2-OE2 3.92Å; E195-L199 HydrophobicContact CB-CD1 3.89Å; E195-Q476 PolarHBondContact N-O 3.4Å
196S93.2Very high94.1Very high17 Ų1758.4 Ų58.412%0.11926%0.263CS..SBendtrans-153.6159.1177.458.80000112.6D185 F194 R198 L199 F200D185-S196 VanDerWaalsContact CG-CB 3.47Å; D185-S196 VanDerWaalsContact OD1-CA 3.26Å; D185-S196 WeakPolarHBondContact OD1-CA 3.47Å; D185-S196 VanDerWaalsContact OD1-CB 3.28Å; D185-S196 WeakPolarHBondContact OD1-CB 3.46Å; D185-S196 WeakPolarHBondContact OD2-CB 3.4Å; F194-S196 PolarHBondContact O-N 3.17Å; F194-S196 VanDerWaalsContact O-N 3.1Å; S196-R198 PolarHBondContact O-N 3.24Å; S196-L199 PolarHBondContact O-N 3.11Å; S196-L199 VanDerWaalsContact O-N 3.12Å; S196-L199 WeakPolarHBondContact OG-CG 3.2Å; S196-L199 PolarHBondContact OG-N 3.3Å; S196-F200 PolarHBondContact O-N 3.1Å
197Y91.8Very high94.1Very high30 Ų3052.4 Ų52.412%0.11823%0.23CC..Hα-helixtrans-52.5-39.6171.4-170.4-89.4000111.5L178 F181 V182 D185 I188 F200 L201L178-Y197 HydrophobicContact CD1-CE2 3.93Å; L178-Y197 HydrophobicContact CD2-CE2 4.24Å; L178-Y197 HydrophobicContact CG-CE2 3.73Å; F181-Y197 WeakPolarHBondContact O-CD2 3.29Å; V182-Y197 HydrophobicContact CB-CE2 4.43Å; V182-Y197 HydrophobicContact CG2-CE1 4.16Å; V182-Y197 HydrophobicContact CG2-CE2 3.74Å; V182-Y197 WeakPolarHBondContact CG2-OH 3.29Å; D185-Y197 PolarHBondContact OD1-N 2.92Å; I188-Y197 HydrophobicContact CD1-CD2 3.62Å; I188-Y197 HydrophobicContact CD1-CE2 4.2Å; I188-Y197 HydrophobicContact CG1-CD2 3.65Å; I188-Y197 HydrophobicContact CG1-CG 4.28Å; Y197-F200 PolarHBondContact O-N 2.87Å; Y197-L201 HydrophobicContact CD1-CD1 3.84Å; Y197-L201 HydrophobicContact CD1-CG 4.08Å; Y197-L201 HydrophobicContact CE1-CD1 3.34Å; Y197-L201 HydrophobicContact CE1-CD2 4.33Å; Y197-L201 HydrophobicContact CE1-CG 3.73Å; Y197-L201 PolarHBondContact O-N 3.41Å
198R92.1Very high94.1Very high175 Ų17553.6 Ų53.666%0.6623%0.234SC*.Hα-helixtrans-62.8-45178.7-170-179.874.8105.7-0.3112.3S196 F200 L201 M202S196-R198 PolarHBondContact O-N 3.24Å; R198-F200 VanDerWaalsContact C-N 3.35Å; R198-L201 PolarHBondContact O-N 3.13Å; R198-M202 VanDerWaalsContact O-CG 3.31Å; R198-M202 WeakPolarHBondContact O-CG 3.39Å; R198-M202 PolarHBondContact O-N 2.96Å
199L93Very high93.8Very high46 Ų4657.7 Ų57.724%0.24126%0.261CS..Hα-helixtrans-66.2-39.4179.3-73.5175.7000111.7F194 E195 S196 L201 M202 F203F194-L199 HydrophobicContact CD1-CB 4.05Å; E195-L199 HydrophobicContact CB-CD1 3.89Å; S196-L199 PolarHBondContact O-N 3.11Å; S196-L199 VanDerWaalsContact O-N 3.12Å; S196-L199 WeakPolarHBondContact OG-CG 3.2Å; S196-L199 PolarHBondContact OG-N 3.3Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.85Å; L199-M202 PolarHBondContact O-N 2.92Å; L199-F203 PolarHBondContact O-N 3.12Å
200F95.3Very high93.5Very high0 Ų054 Ų540%025%0.25CS..Hα-helixtrans-57.8-47.1173.1-176.5-85.1000111.4L178 I188 T192 F194 S196 Y197 R198 M202 F203 W204 I243 L246 L247 Q250L178-F200 HydrophobicContact CD1-CD1 3.89Å; L178-F200 HydrophobicContact CD1-CE1 3.73Å; L178-F200 HydrophobicContact CD1-CZ 4.33Å; L178-F200 HydrophobicContact CD2-CD1 3.91Å; L178-F200 HydrophobicContact CD2-CE1 3.69Å; L178-F200 HydrophobicContact CG-CE1 4.35Å; I188-F200 HydrophobicContact CG2-CB 4.28Å; T192-F200 HydrophobicContact CG2-CD2 3.82Å; T192-F200 HydrophobicContact CG2-CE2 3.72Å; F194-F200 HydrophobicContact CB-CB 4.09Å; F194-F200 HydrophobicContact CD1-CB 4.46Å; F194-F200 HydrophobicContact CD2-CB 4.39Å; F194-F200 AromaticContact CD2-CD2 3.64Å; F194-F200 HydrophobicContact CD2-CD2 3.64Å; F194-F200 HydrophobicContact CD2-CE2 4.47Å; F194-F200 HydrophobicContact CD2-CG 4.48Å; F194-F200 AromaticContact CE2-CD2 3.99Å; F194-F200 HydrophobicContact CE2-CD2 3.99Å; F194-F200 HydrophobicContact CG-CB 4.06Å; F194-F200 HydrophobicContact CG-CD2 4.17Å; S196-F200 PolarHBondContact O-N 3.1Å; Y197-F200 PolarHBondContact O-N 2.87Å; R198-F200 VanDerWaalsContact C-N 3.35Å; F200-M202 PolarHBondContact O-N 2.81Å; F200-F203 PolarHBondContact O-N 3.28Å; F200-W204 PolarHBondContact O-N 3.34Å; F200-I243 HydrophobicContact CE1-CG1 4.15Å; F200-L246 HydrophobicContact CE1-CD2 4.41Å; F200-L246 HydrophobicContact CE2-CD2 4.34Å; F200-L246 HydrophobicContact CE2-CG 4.4Å; F200-L246 HydrophobicContact CZ-CD2 3.83Å; F200-L246 HydrophobicContact CZ-CG 3.98Å; F200-L247 HydrophobicContact CZ-CB 4.45Å; F200-Q250 HydrophobicContact CE2-CG 4.08Å
201L93.9Very high93.2Very high40 Ų4049.7 Ų49.721%0.20923%0.233CC..Hα-helixtrans-65-35.6176.5-75.4-172000113.6L178 Y197 R198 L199 F203 W204 R205 I243L178-L201 HydrophobicContact CD2-CD2 3.82Å; Y197-L201 HydrophobicContact CD1-CD1 3.84Å; Y197-L201 HydrophobicContact CD1-CG 4.08Å; Y197-L201 HydrophobicContact CE1-CD1 3.34Å; Y197-L201 HydrophobicContact CE1-CD2 4.33Å; Y197-L201 HydrophobicContact CE1-CG 3.73Å; Y197-L201 PolarHBondContact O-N 3.41Å; R198-L201 PolarHBondContact O-N 3.13Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-L201 PolarHBondContact O-N 2.85Å; L201-F203 VanDerWaalsContact C-N 3.35Å; L201-W204 WeakPolarHBondContact O-CB 3.5Å; L201-W204 PolarHBondContact O-N 3.41Å; L201-R205 WeakPolarHBondContact O-CG 3.4Å; L201-R205 PolarHBondContact O-N 3.42Å; L201-I243 HydrophobicContact CD2-CD1 3.81Å
202M94.2Very high92.3Very high96 Ų9654.8 Ų54.847%0.47326%0.257SS..Hα-helixtrans-63.9-42.6175.2-73.6-62.8-61.300111.2R198 L199 F200 R205 L206R198-M202 VanDerWaalsContact O-CG 3.31Å; R198-M202 WeakPolarHBondContact O-CG 3.39Å; R198-M202 PolarHBondContact O-N 2.96Å; L199-M202 PolarHBondContact O-N 2.92Å; F200-M202 PolarHBondContact O-N 2.81Å; M202-R205 PolarHBondContact O-N 3.49Å; M202-L206 PolarHBondContact O-N 2.98Å
203F95.1Very high91.2Very high6 Ų662 Ų623%0.02629%0.289CS..Hα-helixtrans-63.8-43.1173.2179.3-104.9000111.8F194 L199 F200 L201 R205 L206 I207 L246 L284 L288 L472 Y475F194-F203 HydrophobicContact CE1-CB 3.62Å; F194-F203 HydrophobicContact CE1-CD1 4.38Å; F194-F203 AromaticContact CE1-CG 3.97Å; F194-F203 HydrophobicContact CE1-CG 3.97Å; F194-F203 HydrophobicContact CE2-CD1 4.39Å; F194-F203 HydrophobicContact CZ-CB 3.78Å; F194-F203 AromaticContact CZ-CD1 3.65Å; F194-F203 HydrophobicContact CZ-CD1 3.65Å; F194-F203 HydrophobicContact CZ-CD2 4.32Å; F194-F203 HydrophobicContact CZ-CE1 4.31Å; F194-F203 AromaticContact CZ-CG 3.65Å; F194-F203 HydrophobicContact CZ-CG 3.65Å; L199-F203 PolarHBondContact O-N 3.12Å; F200-F203 PolarHBondContact O-N 3.28Å; L201-F203 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 3.07Å; F203-L206 WeakPolarHBondContact O-CB 3.05Å; F203-L206 PolarHBondContact O-N 2.86Å; F203-L206 VanDerWaalsContact O-N 3.17Å; F203-I207 HydrophobicContact CD1-CD1 4.21Å; F203-I207 HydrophobicContact CE1-CD1 3.67Å; F203-I207 HydrophobicContact CE1-CG2 4.49Å; F203-I207 HydrophobicContact CE2-CG2 4.09Å; F203-I207 HydrophobicContact CZ-CD1 4.09Å; F203-I207 HydrophobicContact CZ-CG2 4.06Å; F203-I207 PolarHBondContact O-N 2.74Å; F203-L246 HydrophobicContact CD1-CD2 4.32Å; F203-L246 HydrophobicContact CE1-CD2 4.36Å; F203-L284 HydrophobicContact CE1-CD2 4.37Å; F203-L284 HydrophobicContact CZ-CD2 4.02Å; F203-L288 HydrophobicContact CE2-CD2 4.29Å; F203-L472 HydrophobicContact CE1-CD2 3.92Å; F203-L472 HydrophobicContact CE2-CD2 4.01Å; F203-L472 HydrophobicContact CZ-CD2 3.5Å; F203-L472 VanDerWaalsContact CZ-CD2 3.5Å; F203-Y475 AromaticContact CD2-CD1 3.77Å; F203-Y475 HydrophobicContact CD2-CD1 3.77Å; F203-Y475 HydrophobicContact CD2-CD2 4.32Å; F203-Y475 HydrophobicContact CD2-CE1 4.34Å; F203-Y475 AromaticContact CD2-CG 3.75Å; F203-Y475 HydrophobicContact CD2-CG 3.75Å; F203-Y475 HydrophobicContact CE2-CD1 4.24Å; F203-Y475 HydrophobicContact CE2-CD2 4.1Å; F203-Y475 HydrophobicContact CE2-CE2 4.41Å; F203-Y475 HydrophobicContact CE2-CG 4.01Å
204W95Very high90.5Very high21 Ų2161.3 Ų61.38%0.0829%0.287CS..Hα-helixtrans-53.9-51.1173.9172.4-105000111.9F200 L201 L206 I207 E208 V211 P242 I243 L246 W280F200-W204 PolarHBondContact O-N 3.34Å; L201-W204 WeakPolarHBondContact O-CB 3.5Å; L201-W204 PolarHBondContact O-N 3.41Å; W204-L206 PolarHBondContact O-N 2.76Å; W204-I207 HydrophobicContact CE3-CG1 4.41Å; W204-I207 WeakPolarHBondContact O-CG1 3.49Å; W204-I207 PolarHBondContact O-N 2.94Å; W204-I207 VanDerWaalsContact O-N 3.08Å; W204-E208 HydrophobicContact CD2-CB 4.24Å; W204-E208 HydrophobicContact CH2-CB 4.35Å; W204-E208 HydrophobicContact CZ2-CB 3.76Å; W204-E208 HydrophobicContact CZ2-CG 3.66Å; W204-E208 PolarHBondContact NE1-OE1 2.83Å; W204-E208 VanDerWaalsContact O-CB 3.23Å; W204-E208 WeakPolarHBondContact O-CB 3.25Å; W204-E208 PolarHBondContact O-N 3.11Å; W204-V211 HydrophobicContact CH2-CG1 4.45Å; W204-V211 HydrophobicContact CH2-CG2 4.08Å; W204-V211 HydrophobicContact CZ3-CG2 4.16Å; W204-P242 HydrophobicContact CH2-CB 3.56Å; W204-P242 HydrophobicContact CZ2-CB 4.3Å; W204-P242 HydrophobicContact CZ3-CB 4.39Å; W204-I243 HydrophobicContact CB-CD1 4.22Å; W204-I243 HydrophobicContact CB-CG1 4.5Å; W204-I243 HydrophobicContact CD2-CB 3.85Å; W204-I243 HydrophobicContact CD2-CD1 3.82Å; W204-I243 HydrophobicContact CD2-CG1 3.61Å; W204-I243 HydrophobicContact CE3-CB 4Å; W204-I243 HydrophobicContact CE3-CG1 3.87Å; W204-I243 HydrophobicContact CG-CD1 3.57Å; W204-I243 HydrophobicContact CG-CG1 3.86Å; W204-I243 HydrophobicContact CH2-CB 4.15Å; W204-I243 HydrophobicContact CZ2-CB 3.94Å; W204-I243 HydrophobicContact CZ3-CB 4.12Å; W204-I243 HydrophobicContact CZ3-CG1 4.46Å; W204-L246 HydrophobicContact CE3-CD2 3.75Å; W204-L246 HydrophobicContact CZ3-CB 4.4Å; W204-L246 HydrophobicContact CZ3-CD2 4.32Å; W204-W280 AromaticContact CZ3-CH2 3.78Å; W204-W280 HydrophobicContact CZ3-CH2 3.78Å; W204-W280 HydrophobicContact CZ3-CZ2 4.44Å
205R94.6Very high89Confident159 Ų15968 Ų6860%0.632%0.321SS*.Hα-helixtrans-60.3-31.2180-72.5171.7-178.5175.4-0.2113.4L201 M202 F203 P209L201-R205 WeakPolarHBondContact O-CG 3.4Å; L201-R205 PolarHBondContact O-N 3.42Å; M202-R205 PolarHBondContact O-N 3.49Å; F203-R205 PolarHBondContact O-N 3.07Å; R205-P209 WeakPolarHBondContact O-CD 3.08Å
206L92.8Very high87.8Confident111 Ų11170.7 Ų70.758%0.58133%0.329SS*.Hα-helixtrans-66.9-39.5176.9-179.465.3000111.4M202 F203 W204 Y475M202-L206 PolarHBondContact O-N 2.98Å; F203-L206 WeakPolarHBondContact O-CB 3.05Å; F203-L206 PolarHBondContact O-N 2.86Å; F203-L206 VanDerWaalsContact O-N 3.17Å; W204-L206 PolarHBondContact O-N 2.76Å; L206-Y475 HydrophobicContact CD2-CE1 3.84Å
207I93.1Very high85.4Confident3 Ų374 Ų742%0.01535%0.352CS..Hα-helixtrans-99-28.9-170.673176.4000113.1F203 W204 P209 S210 V211 L246 W280 Y283 L284 L287F203-I207 HydrophobicContact CD1-CD1 4.21Å; F203-I207 HydrophobicContact CE1-CD1 3.67Å; F203-I207 HydrophobicContact CE1-CG2 4.49Å; F203-I207 HydrophobicContact CE2-CG2 4.09Å; F203-I207 HydrophobicContact CZ-CD1 4.09Å; F203-I207 HydrophobicContact CZ-CG2 4.06Å; F203-I207 PolarHBondContact O-N 2.74Å; W204-I207 HydrophobicContact CE3-CG1 4.41Å; W204-I207 WeakPolarHBondContact O-CG1 3.49Å; W204-I207 PolarHBondContact O-N 2.94Å; W204-I207 VanDerWaalsContact O-N 3.08Å; I207-P209 VanDerWaalsContact C-N 3.3Å; I207-P209 VanDerWaalsContact O-N 3.11Å; I207-S210 PolarHBondContact O-N 2.96Å; I207-S210 PolarHBondContact O-OG 3.31Å; I207-V211 HydrophobicContact CG1-CG2 4.31Å; I207-V211 PolarHBondContact O-N 2.91Å; I207-L246 HydrophobicContact CD1-CD2 4.07Å; I207-W280 HydrophobicContact CD1-CZ3 4Å; I207-Y283 HydrophobicContact CD1-CE1 4.33Å; I207-Y283 PolarHBondContact O-OH 3.28Å; I207-Y283 VanDerWaalsContact O-OH 3.07Å; I207-L284 HydrophobicContact CD1-CD2 4.19Å; I207-L287 HydrophobicContact CB-CD2 3.79Å; I207-L287 HydrophobicContact CG2-CD2 3.47Å; I207-L287 VanDerWaalsContact CG2-CD2 3.47Å
208E92.3Very high83Confident95 Ų9576.9 Ų76.944%0.44438%0.377SS..Hα-helixtrans-43.3-44.9-178.6172.8176.6-128.200113.8W204 S210 V211W204-E208 HydrophobicContact CD2-CB 4.24Å; W204-E208 HydrophobicContact CH2-CB 4.35Å; W204-E208 HydrophobicContact CZ2-CB 3.76Å; W204-E208 HydrophobicContact CZ2-CG 3.66Å; W204-E208 PolarHBondContact NE1-OE1 2.83Å; W204-E208 VanDerWaalsContact O-CB 3.23Å; W204-E208 WeakPolarHBondContact O-CB 3.25Å; W204-E208 PolarHBondContact O-N 3.11Å; E208-S210 PolarHBondContact O-N 2.87Å; E208-V211 PolarHBondContact O-N 3.4Å; E208-V211 VanDerWaalsContact O-N 3.14Å
209P90.1Very high80.5Confident86 Ų8671.8 Ų71.856%0.55838%0.379SS*.Hα-helixtrans-63.3-11.1178.5-22.734.8000114.8R205 I207 H212R205-P209 WeakPolarHBondContact O-CD 3.08Å; I207-P209 VanDerWaalsContact C-N 3.3Å; I207-P209 VanDerWaalsContact O-N 3.11Å; P209-H212 PolarHBondContact O-CE1 3.14Å; P209-H212 PolarHBondContact O-ND1 3.49Å; P209-H212 VanDerWaalsContact O-ND1 3.1Å
210S88.4Confident77.8Confident26 Ų2674.6 Ų74.618%0.18241%0.408CS..Hα-helixtrans-113.8-8.1178.364.70000113.5I207 E208 H212 K213 Y283I207-S210 PolarHBondContact O-N 2.96Å; I207-S210 PolarHBondContact O-OG 3.31Å; E208-S210 PolarHBondContact O-N 2.87Å; S210-H212 VanDerWaalsContact C-N 3.27Å; S210-H212 PolarHBondContact O-N 2.91Å; S210-K213 WeakPolarHBondContact O-CB 3.4Å; S210-K213 PolarHBondContact O-N 2.77Å; S210-K213 VanDerWaalsContact O-N 3.09Å; S210-Y283 PolarHBondContact OG-OH 3.15Å
211V87.4Confident75Confident10 Ų1079 Ų796%0.06145%0.445CS..Hα-helixtrans-64.7-31.8-179.2176.40000111.8W204 I207 E208 K213 M214 P242 W280 Y283W204-V211 HydrophobicContact CH2-CG1 4.45Å; W204-V211 HydrophobicContact CH2-CG2 4.08Å; W204-V211 HydrophobicContact CZ3-CG2 4.16Å; I207-V211 HydrophobicContact CG1-CG2 4.31Å; I207-V211 PolarHBondContact O-N 2.91Å; E208-V211 PolarHBondContact O-N 3.4Å; E208-V211 VanDerWaalsContact O-N 3.14Å; V211-K213 PolarHBondContact O-N 2.94Å; V211-K213 VanDerWaalsContact O-N 3.16Å; V211-M214 HydrophobicContact CG1-CE 4.07Å; V211-M214 WeakPolarHBondContact O-CB 3.27Å; V211-M214 PolarHBondContact O-N 2.63Å; V211-M214 VanDerWaalsContact O-N 3.1Å; V211-P242 HydrophobicContact CG1-CB 3.91Å; V211-W280 HydrophobicContact CG1-CH2 3.95Å; V211-W280 HydrophobicContact CG1-CZ2 4.03Å; V211-W280 HydrophobicContact CG2-CH2 3.83Å; V211-W280 HydrophobicContact CG2-CZ3 4.49Å; V211-Y283 HydrophobicContact CG2-CE1 4.04Å; V211-Y283 WeakPolarHBondContact CG2-OH 3.35Å
212H77Confident72.4Confident143 Ų14386 Ų8666%0.66248%0.476SS*.THydrogen-bonded Turntrans-65.2-16.9176.466.8-97.3000113.8P209 S210 M214P209-H212 PolarHBondContact O-CE1 3.14Å; P209-H212 PolarHBondContact O-ND1 3.49Å; P209-H212 VanDerWaalsContact O-ND1 3.1Å; S210-H212 VanDerWaalsContact C-N 3.27Å; S210-H212 PolarHBondContact O-N 2.91Å; H212-M214 VanDerWaalsContact C-N 3.27Å
213K72.4Confident69.8Low153 Ų15390.2 Ų90.267%0.66550%0.495SS*.THydrogen-bonded Turntrans-83.8-4.6177.3-56.7-179.1-179.7176.60112.8S210 V211 I215S210-K213 WeakPolarHBondContact O-CB 3.4Å; S210-K213 PolarHBondContact O-N 2.77Å; S210-K213 VanDerWaalsContact O-N 3.09Å; V211-K213 PolarHBondContact O-N 2.94Å; V211-K213 VanDerWaalsContact O-N 3.16Å; K213-I215 PolarHBondContact O-N 2.89Å; K213-I215 VanDerWaalsContact O-N 3.16Å
214M80.4Confident66.8Low18 Ų1895.7 Ų95.79%0.08953%0.534CS..SBendtrans-65.8111.1178.5-168.2-172.4-77.700109V211 H212 R216 L279 W280 Y283V211-M214 HydrophobicContact CG1-CE 4.07Å; V211-M214 WeakPolarHBondContact O-CB 3.27Å; V211-M214 PolarHBondContact O-N 2.63Å; V211-M214 VanDerWaalsContact O-N 3.1Å; H212-M214 VanDerWaalsContact C-N 3.27Å; M214-R216 PolarHBondContact O-N 3.1Å; M214-L279 HydrophobicContact CG-CD1 3.69Å; M214-L279 HydrophobicContact CG-CD2 3.68Å; M214-L279 HydrophobicContact CG-CG 3.48Å; M214-L279 VanDerWaalsContact CG-CG 3.48Å; M214-L279 HydrophobicContact SD-CB 4.5Å; M214-L279 HydrophobicContact SD-CD1 4.29Å; M214-L279 HydrophobicContact SD-CD2 3.28Å; M214-L279 WeakPolarHBondContact SD-CD2 3.49Å; M214-L279 HydrophobicContact SD-CG 3.39Å; M214-L279 WeakPolarHBondContact SD-CG 3.44Å; M214-W280 HydrophobicContact CE-CD2 3.9Å; M214-W280 HydrophobicContact CE-CE3 4.1Å; M214-W280 HydrophobicContact CE-CG 4.43Å; M214-W280 HydrophobicContact CE-CH2 4Å; M214-W280 HydrophobicContact CE-CZ2 3.84Å; M214-W280 HydrophobicContact CE-CZ3 4.14Å; M214-Y283 HydrophobicContact CE-CD1 3.38Å; M214-Y283 HydrophobicContact CE-CD2 3.96Å; M214-Y283 HydrophobicContact CE-CE1 3.99Å; M214-Y283 HydrophobicContact CE-CG 3.34Å
215I63Low64.2Low140 Ų140100 Ų10072%0.71857%0.567SS**  trans-68.298.4-179.3-58.3174.9000108.4K213 S217 L279K213-I215 PolarHBondContact O-N 2.89Å; K213-I215 VanDerWaalsContact O-N 3.16Å; I215-S217 PolarHBondContact O-N 3.5Å; I215-S217 VanDerWaalsContact O-N 3.1Å; I215-L279 WeakPolarHBondContact O-CD1 3.13Å
216R67.9Low61.3Low110 Ų110101 Ų10142%0.41558%0.579SS.*  trans-78.492.9171.6-70.7172.9174-170.5-10.5107M214 S218 E245 L279M214-R216 PolarHBondContact O-N 3.1Å; R216-S218 VanDerWaalsContact C-N 3.25Å; R216-S218 PolarHBondContact O-N 2.93Å; R216-E245 IonicContact CZ-OE1 3.37Å; R216-E245 IonicContact NH2-OE1 3.67Å; R216-E245 PolarHBondContact NH2-OE1 3.47Å; R216-E245 IonicContact NH2-OE2 3.15Å; R216-E245 PolarHBondContact NH2-OE2 2.94Å; R216-L279 HydrophobicContact CG-CD2 3.77Å
217S44.6Very low58.5Low85 Ų85100.3 Ų100.359%0.59459%0.59SS**  trans-61.291.8173-55.20000109.2I215 G219 R275I215-S217 PolarHBondContact O-N 3.5Å; I215-S217 VanDerWaalsContact O-N 3.1Å; S217-G219 PolarHBondContact O-N 3.32Å; S217-R275 PolarHBondContact O-NH1 2.85Å; S217-R275 VanDerWaalsContact O-NH1 3.08Å; S217-R275 PolarHBondContact O-NH2 3.25Å
218S41.1Very low56.1Low92 Ų92104 Ų10464%0.64363%0.628SS**  trans-65.1108.5159.441.70000106R216 A220R216-S218 VanDerWaalsContact C-N 3.25Å; R216-S218 PolarHBondContact O-N 2.93Å; S218-A220 PolarHBondContact O-N 2.97Å
219G38.9Very low53.1Low68 Ų68105.5 Ų105.570%0.70164%0.644SS**SBendtrans-59.1132.6163.600000108.1S217S217-G219 PolarHBondContact O-N 3.32Å
220A36.3Very low50.6Low104 Ų104106.2 Ų106.286%0.8666%0.657SS**  trans77.879.8179.100000116.5S218S218-A220 PolarHBondContact O-N 2.97Å
221A37.4Very low48Very low93 Ų93111 Ų11177%0.76969%0.685SS**  trans-16568.914600000111.2
222E38.1Very low45.3Very low186 Ų186121.6 Ų121.687%0.86972%0.724SS**  trans-139.6124156.7-82.4-176.3178.900102.9
223E40.4Very low43.2Very low185 Ų185119.2 Ų119.286%0.86472%0.724SS**  cis-148.4137.69.6-64168.5135.100107.2
224S32.7Very low41.2Very low122 Ų122117.7 Ų117.785%0.85373%0.727SS**  trans-163.299.1143.749.60000109.6E226S224-E226 PolarHBondContact O-N 3.38Å
225S38.5Very low39.1Very low110 Ų110125 Ų12577%0.76976%0.761SS**  trans-61.8117.2156.7157.20000108.5
226E35.1Very low37.9Very low180 Ų180123.3 Ų123.384%0.84176%0.757SS**  177.7139.4121.5-96.1175.7-172.600112.9S224S224-E226 PolarHBondContact O-N 3.38Å
227A34.3Very low36.8Very low98 Ų98128.1 Ų128.181%0.8178%0.781SS**  trans62.993.7158.200000119.8
228G41.6Very low37.2Very low79 Ų79130.9 Ų130.981%0.81479%0.789SS**  41.588.6127.400000118.8
229T29.6Very low38.8Very low128 Ų128129.6 Ų129.679%0.78578%0.78SS**  trans-151.2125.4136.8-51.10000107.6V231T229-V231 VanDerWaalsContact C-N 3.26Å; T229-V231 PolarHBondContact O-N 3.45Å
230A38.3Very low41.1Very low101 Ų101127.5 Ų127.584%0.83575%0.753SS**  trans-64.987175.200000109.7R232A230-R232 PolarHBondContact O-N 3.27Å
231V32.2Very low43.6Very low127 Ų127128.3 Ų128.377%0.7774%0.738SS**  trans-70.6101.1165.3179.30000105.7T229 S233T229-V231 VanDerWaalsContact C-N 3.26Å; T229-V231 PolarHBondContact O-N 3.45Å; V231-S233 PolarHBondContact O-N 2.86Å
232R32.1Very low46.3Very low231 Ų231125.8 Ų125.887%0.87271%0.714SS**  trans-45.4114.3165.6-87.2174.5162.4169.3-5.5107.9A230 T234A230-R232 PolarHBondContact O-N 3.27Å; R232-T234 PolarHBondContact O-N 3Å
233S32.4Very low48.9Very low94 Ų94118.5 Ų118.566%0.65768%0.681SS**  trans-44.3103.8165.71680000108.8V231 H235V231-S233 PolarHBondContact O-N 2.86Å; S233-H235 VanDerWaalsContact C-N 3.31Å; S233-H235 PolarHBondContact O-N 2.82Å
234T30Very low51.5Low120 Ų120110.8 Ų110.874%0.73665%0.646SS**  trans-69.297.9162.6460000105.5R232 T236R232-T234 PolarHBondContact O-N 3Å; T234-T236 PolarHBondContact O-N 3.22Å
235H36.4Very low54.5Low172 Ų172105.4 Ų105.480%0.79661%0.607SS**  trans-48.3106.9165.1-85.6-83.9000108.1S233 K237S233-H235 VanDerWaalsContact C-N 3.31Å; S233-H235 PolarHBondContact O-N 2.82Å; H235-K237 PolarHBondContact O-N 2.85Å
236T37.4Very low57.2Low105 Ų105100.2 Ų100.264%0.64457%0.571SS**  trans-66.4118.8171.745.80000107T234 D238T234-T236 PolarHBondContact O-N 3.22Å; T236-D238 PolarHBondContact O-N 3.02Å
237K44.7Very low60.2Low211 Ų21191.6 Ų91.692%0.91753%0.531SS*.THydrogen-bonded Turntrans-6610.1178.7-103.3177.4173.4178.50114.1H235H235-K237 PolarHBondContact O-N 2.85Å
238D54.1Low63.1Low142 Ų14287 Ų8776%0.75949%0.492SS*.THydrogen-bonded Turntrans-118.77.1-163.6-60.2-26.8000114.3T236T236-D238 PolarHBondContact O-N 3.02Å
239S73.4Confident65.7Low65 Ų6583.2 Ų83.246%0.45545%0.453SS..PPolyproline II helixtrans-88.1124.8174.9-170.30000110.8
240L87.4Confident69Low25 Ų2577.1 Ų77.113%0.13142%0.416CS..PPolyproline II helixtrans-58.8145.9171.5-168.961.5000110.2D244 E245 L248 F266 I276L240-D244 HydrophobicContact CD1-CB 3.59Å; L240-D244 HydrophobicContact CD2-CB 4.01Å; L240-D244 HydrophobicContact CG-CB 3.62Å; L240-E245 HydrophobicContact CB-CG 4Å; L240-E245 HydrophobicContact CD2-CG 3.98Å; L240-E245 HydrophobicContact CG-CG 4.09Å; L240-L248 HydrophobicContact CD2-CD1 4.36Å; L240-F266 HydrophobicContact CD1-CD1 3.9Å; L240-F266 HydrophobicContact CD2-CB 4.39Å; L240-F266 HydrophobicContact CD2-CD1 3.64Å; L240-F266 HydrophobicContact CD2-CE1 4.16Å; L240-F266 HydrophobicContact CD2-CG 4.19Å; L240-F266 HydrophobicContact CG-CD1 4.43Å; L240-I276 HydrophobicContact CD2-CD1 4.42Å
241Q89.7Confident71.7Confident120 Ų12072.3 Ų72.356%0.56138%0.376SS*.PPolyproline II helixtrans-67.9142.3176-65.5-62.3-65.200109.7I243 D244 E245Q241-I243 HydrophobicContact CB-CG2 4.3Å; Q241-I243 PolarHBondContact O-N 2.63Å; Q241-I243 VanDerWaalsContact O-N 3.12Å; Q241-D244 HydrophobicContact CB-CB 4.47Å; Q241-D244 CarbonylContact O-C 3.6Å; Q241-D244 WeakPolarHBondContact O-CA 3.21Å; Q241-D244 WeakPolarHBondContact O-CB 3.36Å; Q241-D244 PolarHBondContact O-N 3.26Å; Q241-E245 PolarHBondContact O-N 3Å
242P93.3Very high74.7Confident40 Ų4066.7 Ų66.726%0.2634%0.341SS..Hα-helixtrans-54-34.9-178.6-32.139.1000115W204 V211 D244 E245 L246 W280W204-P242 HydrophobicContact CH2-CB 3.56Å; W204-P242 HydrophobicContact CZ2-CB 4.3Å; W204-P242 HydrophobicContact CZ3-CB 4.39Å; V211-P242 HydrophobicContact CG1-CB 3.91Å; P242-D244 VanDerWaalsContact C-N 3.33Å; P242-E245 WeakPolarHBondContact O-CB 3.09Å; P242-E245 PolarHBondContact O-N 2.86Å; P242-L246 PolarHBondContact O-N 3.1Å; P242-W280 HydrophobicContact CB-CZ2 4.5Å; P242-W280 WeakPolarHBondContact O-CZ2 3.3Å
243I94.1Very high77.6Confident33 Ų3355.7 Ų55.717%0.16930%0.3CS..Hα-helixtrans-68-33.3175.7-165.2172.2000112.8L178 F200 L201 W204 Q241 L246 L247L178-I243 HydrophobicContact CD2-CD1 3.4Å; L178-I243 HydrophobicContact CD2-CG1 3.8Å; F200-I243 HydrophobicContact CE1-CG1 4.15Å; L201-I243 HydrophobicContact CD2-CD1 3.81Å; W204-I243 HydrophobicContact CB-CD1 4.22Å; W204-I243 HydrophobicContact CB-CG1 4.5Å; W204-I243 HydrophobicContact CD2-CB 3.85Å; W204-I243 HydrophobicContact CD2-CD1 3.82Å; W204-I243 HydrophobicContact CD2-CG1 3.61Å; W204-I243 HydrophobicContact CE3-CB 4Å; W204-I243 HydrophobicContact CE3-CG1 3.87Å; W204-I243 HydrophobicContact CG-CD1 3.57Å; W204-I243 HydrophobicContact CG-CG1 3.86Å; W204-I243 HydrophobicContact CH2-CB 4.15Å; W204-I243 HydrophobicContact CZ2-CB 3.94Å; W204-I243 HydrophobicContact CZ3-CB 4.12Å; W204-I243 HydrophobicContact CZ3-CG1 4.46Å; Q241-I243 HydrophobicContact CB-CG2 4.3Å; Q241-I243 PolarHBondContact O-N 2.63Å; Q241-I243 VanDerWaalsContact O-N 3.12Å; I243-L246 PolarHBondContact O-N 3.07Å; I243-L247 PolarHBondContact O-N 2.8Å
244D94.3Very high80.6Confident24 Ų2451.2 Ų51.213%0.12827%0.268CS..Hα-helixtrans-77.3-30.1175-66.8-39.7000111.2G177 L178 L240 Q241 P242 L247 L248 F266G177-D244 VanDerWaalsContact CA-OD1 3.23Å; G177-D244 WeakPolarHBondContact CA-OD1 3.33Å; L178-D244 PolarHBondContact N-OD1 2.95Å; L240-D244 HydrophobicContact CD1-CB 3.59Å; L240-D244 HydrophobicContact CD2-CB 4.01Å; L240-D244 HydrophobicContact CG-CB 3.62Å; Q241-D244 HydrophobicContact CB-CB 4.47Å; Q241-D244 CarbonylContact O-C 3.6Å; Q241-D244 WeakPolarHBondContact O-CA 3.21Å; Q241-D244 WeakPolarHBondContact O-CB 3.36Å; Q241-D244 PolarHBondContact O-N 3.26Å; P242-D244 VanDerWaalsContact C-N 3.33Å; D244-L247 WeakPolarHBondContact O-CB 3.33Å; D244-L247 PolarHBondContact O-N 2.78Å; D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 PolarHBondContact O-N 3.07Å; D244-F266 HydrophobicContact CB-CE1 4.23Å
245E95.1Very high83.7Confident9 Ų946.2 Ų46.24%0.04224%0.239CC..Hα-helixtrans-64.3-42.9168.6-63.7179.6-174.600111.4R216 L240 Q241 P242 L247 L248 F249 I276 W280R216-E245 IonicContact CZ-OE1 3.37Å; R216-E245 IonicContact NH2-OE1 3.67Å; R216-E245 PolarHBondContact NH2-OE1 3.47Å; R216-E245 IonicContact NH2-OE2 3.15Å; R216-E245 PolarHBondContact NH2-OE2 2.94Å; L240-E245 HydrophobicContact CB-CG 4Å; L240-E245 HydrophobicContact CD2-CG 3.98Å; L240-E245 HydrophobicContact CG-CG 4.09Å; Q241-E245 PolarHBondContact O-N 3Å; P242-E245 WeakPolarHBondContact O-CB 3.09Å; P242-E245 PolarHBondContact O-N 2.86Å; E245-L247 VanDerWaalsContact C-N 3.34Å; E245-L248 WeakPolarHBondContact O-CB 3.48Å; E245-L248 PolarHBondContact O-N 3.03Å; E245-F249 PolarHBondContact O-N 3.17Å; E245-I276 HydrophobicContact CB-CG2 3.85Å; E245-I276 HydrophobicContact CG-CD1 4.03Å; E245-I276 HydrophobicContact CG-CG1 4.25Å; E245-I276 HydrophobicContact CG-CG2 4.3Å; E245-W280 HydrophobicContact CB-CZ2 4.23Å; E245-W280 PolarHBondContact OE2-NE1 2.89Å; E245-W280 VanDerWaalsContact OE2-NE1 3.1Å
246L96.3Very high86.3Confident0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-60.7-44.5172.1174.664.2000111F200 F203 W204 I207 P242 I243 L248 F249 Q250 W280 L284F200-L246 HydrophobicContact CE1-CD2 4.41Å; F200-L246 HydrophobicContact CE2-CD2 4.34Å; F200-L246 HydrophobicContact CE2-CG 4.4Å; F200-L246 HydrophobicContact CZ-CD2 3.83Å; F200-L246 HydrophobicContact CZ-CG 3.98Å; F203-L246 HydrophobicContact CD1-CD2 4.32Å; F203-L246 HydrophobicContact CE1-CD2 4.36Å; W204-L246 HydrophobicContact CE3-CD2 3.75Å; W204-L246 HydrophobicContact CZ3-CB 4.4Å; W204-L246 HydrophobicContact CZ3-CD2 4.32Å; I207-L246 HydrophobicContact CD1-CD2 4.07Å; P242-L246 PolarHBondContact O-N 3.1Å; I243-L246 PolarHBondContact O-N 3.07Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.45Å; L246-F249 PolarHBondContact O-N 3.06Å; L246-Q250 HydrophobicContact CD1-CG 4.15Å; L246-Q250 HydrophobicContact CG-CG 4.38Å; L246-Q250 WeakPolarHBondContact O-CB 3.28Å; L246-Q250 WeakPolarHBondContact O-CG 3.26Å; L246-Q250 PolarHBondContact O-N 3.05Å; L246-W280 HydrophobicContact CB-CD2 4.4Å; L246-W280 HydrophobicContact CB-CE3 4.13Å; L246-W280 HydrophobicContact CB-CH2 3.83Å; L246-W280 HydrophobicContact CB-CZ2 4.05Å; L246-W280 HydrophobicContact CB-CZ3 3.85Å; L246-W280 HydrophobicContact CD1-CD2 4.48Å; L246-W280 HydrophobicContact CD1-CE3 3.66Å; L246-W280 HydrophobicContact CD1-CZ3 3.69Å; L246-W280 HydrophobicContact CG-CE3 4.47Å; L246-W280 HydrophobicContact CG-CZ3 4.21Å; L246-L284 HydrophobicContact CD1-CD1 4.18Å
247L96.9Very high88.9Confident0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-58.1-44175.1175.166.2000111.3L178 F181 T192 F200 I243 D244 E245 F249 Q250 M251 F266L178-L247 HydrophobicContact CB-CD2 4.06Å; L178-L247 HydrophobicContact CD1-CD1 4.23Å; L178-L247 HydrophobicContact CD1-CD2 4.33Å; F181-L247 HydrophobicContact CD2-CD1 4.47Å; F181-L247 HydrophobicContact CD2-CD2 4.23Å; F181-L247 HydrophobicContact CE2-CD1 4.4Å; F181-L247 HydrophobicContact CE2-CD2 4.04Å; T192-L247 HydrophobicContact CG2-CD1 3.68Å; F200-L247 HydrophobicContact CZ-CB 4.45Å; I243-L247 PolarHBondContact O-N 2.8Å; D244-L247 WeakPolarHBondContact O-CB 3.33Å; D244-L247 PolarHBondContact O-N 2.78Å; E245-L247 VanDerWaalsContact C-N 3.34Å; L247-F249 PolarHBondContact O-N 2.73Å; L247-Q250 PolarHBondContact O-N 3.4Å; L247-M251 HydrophobicContact CD1-CG 4.21Å; L247-M251 HydrophobicContact CD1-SD 4.24Å; L247-M251 HydrophobicContact CG-CG 4.4Å; L247-M251 HydrophobicContact CG-SD 3.99Å; L247-M251 WeakPolarHBondContact O-CB 3.47Å; L247-M251 VanDerWaalsContact O-CG 3.25Å; L247-M251 WeakPolarHBondContact O-CG 3.15Å; L247-M251 PolarHBondContact O-N 2.76Å; L247-F266 HydrophobicContact CD2-CE1 4.32Å; L247-F266 HydrophobicContact CD2-CZ 4.11Å; L247-F266 HydrophobicContact CG-CZ 4.14Å
248L96.6Very high91.1Very high0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-57.9-47.8175.6-175.1160.3000111.2L240 D244 E245 L246 Q250 M251 Y252 L262 F266 I268 A273 I276 I277L240-L248 HydrophobicContact CD2-CD1 4.36Å; D244-L248 WeakPolarHBondContact O-CB 3.43Å; D244-L248 PolarHBondContact O-N 3.07Å; E245-L248 WeakPolarHBondContact O-CB 3.48Å; E245-L248 PolarHBondContact O-N 3.03Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.45Å; L248-Q250 VanDerWaalsContact C-N 3.35Å; L248-Q250 PolarHBondContact O-N 2.99Å; L248-M251 PolarHBondContact O-N 3.17Å; L248-Y252 PolarHBondContact O-N 3.13Å; L248-L262 HydrophobicContact CD1-CB 4.41Å; L248-L262 HydrophobicContact CD2-CB 4.44Å; L248-L262 HydrophobicContact CD2-CD1 4Å; L248-L262 HydrophobicContact CG-CB 4.17Å; L248-L262 HydrophobicContact CG-CD1 4.35Å; L248-L262 HydrophobicContact CG-CD2 4.31Å; L248-F266 HydrophobicContact CB-CD2 4.21Å; L248-F266 HydrophobicContact CB-CE1 4.35Å; L248-F266 HydrophobicContact CB-CE2 3.72Å; L248-F266 HydrophobicContact CB-CZ 3.79Å; L248-F266 HydrophobicContact CD1-CB 4.4Å; L248-F266 HydrophobicContact CD1-CD2 3.72Å; L248-F266 HydrophobicContact CD1-CE2 4.11Å; L248-F266 HydrophobicContact CD1-CG 4.03Å; L248-F266 HydrophobicContact CG-CD2 4.01Å; L248-F266 HydrophobicContact CG-CE2 3.89Å; L248-F266 HydrophobicContact CG-CZ 4.45Å; L248-I268 HydrophobicContact CD1-CD1 3.65Å; L248-A273 HydrophobicContact CD1-CB 4.46Å; L248-I276 HydrophobicContact CD1-CD1 4.33Å; L248-I276 HydrophobicContact CD1-CG2 4.5Å; L248-I276 HydrophobicContact CD2-CG2 3.95Å; L248-I277 HydrophobicContact CD2-CD1 4.11Å; L248-I277 HydrophobicContact CD2-CG1 3.69Å
249F96.3Very high92.8Very high0 Ų027.2 Ų27.20%015%0.148CC..Hα-helixtrans-60.8-43176173.1-96000112.1E245 L246 L247 Y252 L253 W280 A281 L284 L465 V468E245-F249 PolarHBondContact O-N 3.17Å; L246-F249 PolarHBondContact O-N 3.06Å; L247-F249 PolarHBondContact O-N 2.73Å; F249-Y252 WeakPolarHBondContact O-CB 3.41Å; F249-Y252 PolarHBondContact O-N 3.3Å; F249-L253 HydrophobicContact CE1-CD2 4.21Å; F249-L253 HydrophobicContact CZ-CD2 4.36Å; F249-L253 PolarHBondContact O-N 2.98Å; F249-W280 HydrophobicContact CB-CB 3.79Å; F249-W280 HydrophobicContact CB-CG 4.19Å; F249-W280 HydrophobicContact CD1-CB 4.38Å; F249-W280 HydrophobicContact CD2-CB 3.76Å; F249-W280 HydrophobicContact CE2-CB 4.49Å; F249-W280 HydrophobicContact CG-CB 3.69Å; F249-A281 HydrophobicContact CE2-CB 3.87Å; F249-A281 HydrophobicContact CZ-CB 4.49Å; F249-L284 HydrophobicContact CD1-CD1 3.74Å; F249-L284 HydrophobicContact CE1-CD1 3.43Å; F249-L284 VanDerWaalsContact CE1-CD1 3.43Å; F249-L284 HydrophobicContact CZ-CD1 4.2Å; F249-L465 HydrophobicContact CE2-CD2 3.81Å; F249-L465 HydrophobicContact CZ-CD2 4.12Å; F249-V468 HydrophobicContact CE1-CG1 4Å; F249-V468 HydrophobicContact CZ-CG1 3.96Å
250Q97.1Very high93.6Very high0 Ų026.3 Ų26.30%015%0.149CC..Hα-helixtrans-65.6-40177.3-71.8-59.2105.300111.7Y191 T192 F200 L246 L247 L248 Y252 L253 A254Y191-Q250 CarbonylContact O-C 3.45Å; T192-Q250 HydrophobicContact CG2-CB 4.02Å; T192-Q250 PolarHBondContact O-NE2 2.91Å; F200-Q250 HydrophobicContact CE2-CG 4.08Å; L246-Q250 HydrophobicContact CD1-CG 4.15Å; L246-Q250 HydrophobicContact CG-CG 4.38Å; L246-Q250 WeakPolarHBondContact O-CB 3.28Å; L246-Q250 WeakPolarHBondContact O-CG 3.26Å; L246-Q250 PolarHBondContact O-N 3.05Å; L247-Q250 PolarHBondContact O-N 3.4Å; L248-Q250 VanDerWaalsContact C-N 3.35Å; L248-Q250 PolarHBondContact O-N 2.99Å; Q250-Y252 VanDerWaalsContact C-N 3.31Å; Q250-Y252 PolarHBondContact O-N 3.28Å; Q250-L253 PolarHBondContact O-N 3.39Å; Q250-A254 WeakPolarHBondContact O-CB 3.23Å; Q250-A254 PolarHBondContact O-N 2.78Å
251M96.4Very high93.9Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-63.2-37.6175.1-73.8176.366.100112.3F176 Y191 L247 L248 A255 G256 L257 L262 F266F176-M251 HydrophobicContact CE1-CE 3.77Å; F176-M251 HydrophobicContact CE1-SD 3.7Å; F176-M251 HydrophobicContact CZ-CE 3.69Å; F176-M251 HydrophobicContact CZ-SD 4.07Å; Y191-M251 HydrophobicContact CD1-CE 3.77Å; Y191-M251 HydrophobicContact CD1-CG 3.76Å; Y191-M251 HydrophobicContact CD1-SD 4.29Å; Y191-M251 HydrophobicContact CE1-CE 3.83Å; Y191-M251 HydrophobicContact CG-CE 4.47Å; Y191-M251 HydrophobicContact CG-CG 4.06Å; Y191-M251 VanDerWaalsContact O-CA 3.31Å; Y191-M251 WeakPolarHBondContact O-CA 3.23Å; Y191-M251 PolarHBondContact O-N 2.91Å; L247-M251 HydrophobicContact CD1-CG 4.21Å; L247-M251 HydrophobicContact CD1-SD 4.24Å; L247-M251 HydrophobicContact CG-CG 4.4Å; L247-M251 HydrophobicContact CG-SD 3.99Å; L247-M251 WeakPolarHBondContact O-CB 3.47Å; L247-M251 VanDerWaalsContact O-CG 3.25Å; L247-M251 WeakPolarHBondContact O-CG 3.15Å; L247-M251 PolarHBondContact O-N 2.76Å; L248-M251 PolarHBondContact O-N 3.17Å; M251-A255 WeakPolarHBondContact O-CA 3.37Å; M251-A255 WeakPolarHBondContact O-CB 3.45Å; M251-A255 PolarHBondContact O-N 2.96Å; M251-A255 VanDerWaalsContact O-N 3.13Å; M251-G256 PolarHBondContact O-N 3.21Å; M251-L257 HydrophobicContact CB-CD1 4.15Å; M251-L257 HydrophobicContact CE-CD1 3.4Å; M251-L257 VanDerWaalsContact CE-CD1 3.4Å; M251-L262 HydrophobicContact CB-CD2 3.8Å; M251-L262 HydrophobicContact CE-CD2 4.16Å; M251-F266 HydrophobicContact CE-CE2 4.45Å; M251-F266 HydrophobicContact SD-CE2 3.87Å; M251-F266 HydrophobicContact SD-CZ 3.88Å
252Y94.5Very high94.1Very high10 Ų1022.3 Ų22.34%0.03913%0.131CC..Hα-helixtrans-61.4-48.5172.7176.1-103.5000111.6L248 F249 Q250 G256 L257 E259 L262 I277 L449 M458 L465L248-Y252 PolarHBondContact O-N 3.13Å; F249-Y252 WeakPolarHBondContact O-CB 3.41Å; F249-Y252 PolarHBondContact O-N 3.3Å; Q250-Y252 VanDerWaalsContact C-N 3.31Å; Q250-Y252 PolarHBondContact O-N 3.28Å; Y252-G256 WeakPolarHBondContact O-CA 3.4Å; Y252-G256 PolarHBondContact O-N 2.95Å; Y252-L257 VanDerWaalsContact CD2-O 3.27Å; Y252-L257 WeakPolarHBondContact CD2-O 3.38Å; Y252-E259 HydrophobicContact CE2-CG 4.5Å; Y252-L262 HydrophobicContact CD2-CD1 4.03Å; Y252-L262 HydrophobicContact CG-CD1 4.37Å; Y252-I277 HydrophobicContact CD1-CD1 4.42Å; Y252-I277 HydrophobicContact CD1-CG1 4.34Å; Y252-I277 HydrophobicContact CD1-CG2 3.67Å; Y252-I277 HydrophobicContact CD2-CD1 3.58Å; Y252-I277 HydrophobicContact CD2-CG1 4.31Å; Y252-I277 HydrophobicContact CE1-CG2 3.44Å; Y252-I277 VanDerWaalsContact CE1-CG2 3.44Å; Y252-I277 HydrophobicContact CE2-CD1 3.86Å; Y252-I277 HydrophobicContact CE2-CG2 4.4Å; Y252-I277 HydrophobicContact CG-CD1 3.85Å; Y252-I277 HydrophobicContact CG-CG1 4.07Å; Y252-I277 HydrophobicContact CG-CG2 4.21Å; Y252-L449 HydrophobicContact CD1-CD2 4.35Å; Y252-L449 HydrophobicContact CE1-CD1 4.28Å; Y252-L449 HydrophobicContact CE1-CD2 3.95Å; Y252-M458 HydrophobicContact CE1-CE 4.07Å; Y252-M458 WeakPolarHBondContact OH-CE 3.28Å; Y252-M458 PolarHBondContact OH-SD 2.98Å; Y252-L465 HydrophobicContact CE1-CD1 4.37Å; Y252-L465 HydrophobicContact CE1-CD2 4.39Å
253L94.2Very high94.1Very high0 Ų020.7 Ų20.70%012%0.121CC..Hα-helixtrans-73-54.2-177.6-174.662.9000112.6F249 Q250 N447 L449 F450 A469 L472F249-L253 HydrophobicContact CE1-CD2 4.21Å; F249-L253 HydrophobicContact CZ-CD2 4.36Å; F249-L253 PolarHBondContact O-N 2.98Å; Q250-L253 PolarHBondContact O-N 3.39Å; L253-N447 HydrophobicContact CG-CB 4.46Å; L253-N447 WeakPolarHBondContact O-CB 3.22Å; L253-L449 HydrophobicContact CD1-CB 4.36Å; L253-L449 HydrophobicContact CD1-CD2 3.71Å; L253-L449 VanDerWaalsContact O-CB 3.3Å; L253-L449 WeakPolarHBondContact O-CB 3.47Å; L253-L449 PolarHBondContact O-N 2.97Å; L253-F450 HydrophobicContact CD1-CE2 4.2Å; L253-F450 HydrophobicContact CD1-CZ 3.93Å; L253-A469 HydrophobicContact CD1-CB 4.26Å; L253-A469 HydrophobicContact CD2-CB 4.08Å; L253-L472 HydrophobicContact CD2-CD1 4.14Å
254A94.7Very high94Very high0 Ų025.1 Ų25.10%015%0.145CC..Hα-helixtrans-73.5-49.4-172.300000112.9Y191 R193 Q250 N447 K448Y191-A254 WeakPolarHBondContact O-CB 3.47Å; R193-A254 HydrophobicContact CG-CB 3.72Å; Q250-A254 WeakPolarHBondContact O-CB 3.23Å; Q250-A254 PolarHBondContact O-N 2.78Å; A254-N447 WeakPolarHBondContact CA-OD1 3.42Å; A254-K448 WeakPolarHBondContact O-CB 3.41Å; A254-K448 VanDerWaalsContact O-CG 3.28Å; A254-K448 WeakPolarHBondContact O-CG 3.12Å; A254-K448 PolarHBondContact O-N 3.45Å
255A94.2Very high93.9Very high15 Ų1527.5 Ų27.512%0.12415%0.152CC..Hα-helixtrans-96.8-5.5-176.100000113F190 Y191 M251 L257F190-A255 HydrophobicContact CE1-CB 4.02Å; F190-A255 HydrophobicContact CZ-CB 4.37Å; Y191-A255 HydrophobicContact CD1-CB 4.12Å; M251-A255 WeakPolarHBondContact O-CA 3.37Å; M251-A255 WeakPolarHBondContact O-CB 3.45Å; M251-A255 PolarHBondContact O-N 2.96Å; M251-A255 VanDerWaalsContact O-N 3.13Å; A255-L257 HydrophobicContact CB-CD1 4.5Å; A255-L257 HydrophobicContact CB-CD2 4.38Å; A255-L257 HydrophobicContact CB-CG 3.97Å; A255-L257 PolarHBondContact O-N 3.5Å
256G91.7Very high93.8Very high17 Ų1727.7 Ų27.718%0.17515%0.153CC..  trans67.622.5176.200000113.1M251 Y252 Q258M251-G256 PolarHBondContact O-N 3.21Å; Y252-G256 WeakPolarHBondContact O-CA 3.4Å; Y252-G256 PolarHBondContact O-N 2.95Å; G256-Q258 PolarHBondContact O-NE2 3.23Å
257L92.6Very high93.5Very high31 Ų3134.6 Ų34.616%0.16219%0.185CC..  trans-67.7137.5-176.7-60.8-175.8000110.6Y191 M251 Y252 A255 L262Y191-L257 HydrophobicContact CE1-CD1 4.22Å; M251-L257 HydrophobicContact CB-CD1 4.15Å; M251-L257 HydrophobicContact CE-CD1 3.4Å; M251-L257 VanDerWaalsContact CE-CD1 3.4Å; Y252-L257 VanDerWaalsContact CD2-O 3.27Å; Y252-L257 WeakPolarHBondContact CD2-O 3.38Å; A255-L257 HydrophobicContact CB-CD1 4.5Å; A255-L257 HydrophobicContact CB-CD2 4.38Å; A255-L257 HydrophobicContact CB-CG 3.97Å; A255-L257 PolarHBondContact O-N 3.5Å; L257-L262 HydrophobicContact CB-CD1 4.35Å; L257-L262 HydrophobicContact CB-CD2 3.9Å; L257-L262 HydrophobicContact CB-CG 3.96Å; L257-L262 HydrophobicContact CD1-CD2 3.95Å
258Q89.9Confident93.3Very high118 Ų11836 Ų3655%0.55119%0.192SC*.  trans-76.3151.4-178.6-59-60.3-66.400111G256 G260 D261 L262G256-Q258 PolarHBondContact O-NE2 3.23Å; Q258-G260 PolarHBondContact O-N 3.25Å; Q258-G260 VanDerWaalsContact O-N 3.09Å; Q258-D261 WeakPolarHBondContact O-CB 3.39Å; Q258-D261 PolarHBondContact O-N 3.33Å; Q258-L262 PolarHBondContact O-N 3.21Å; Q258-L262 VanDerWaalsContact O-N 3.07Å
259E90.1Very high93Very high65 Ų6541.7 Ų41.730%0.30422%0.219SC..Hα-helixtrans-52.4-37.9-178-59.6-175.8165.800113Y252 L262 A263 S274 I277Y252-E259 HydrophobicContact CE2-CG 4.5Å; E259-L262 PolarHBondContact O-N 3.43Å; E259-A263 WeakPolarHBondContact O-CB 3.47Å; E259-A263 PolarHBondContact O-N 3.2Å; E259-S274 WeakPolarHBondContact OE1-CB 3.18Å; E259-S274 PolarHBondContact OE1-OG 3.38Å; E259-S274 WeakPolarHBondContact OE2-CB 3.44Å; E259-S274 PolarHBondContact OE2-OG 3.23Å; E259-I277 HydrophobicContact CG-CD1 3.88Å
260G89.9Confident92.7Very high46 Ų4644.6 Ų44.647%0.47424%0.237SC..Hα-helixtrans-67.8-34.5178.100000114.2Q258 N264Q258-G260 PolarHBondContact O-N 3.25Å; Q258-G260 VanDerWaalsContact O-N 3.09Å; G260-N264 PolarHBondContact O-N 3.33Å
261D93.1Very high92.3Very high61 Ų6147.6 Ų47.633%0.32626%0.259SS..Hα-helixtrans-71.3-44.5174.9-179.971.4000110.4Q258 A263 N264 R265Q258-D261 WeakPolarHBondContact O-CB 3.39Å; Q258-D261 PolarHBondContact O-N 3.33Å; D261-A263 PolarHBondContact O-N 3.27Å; D261-N264 PolarHBondContact O-N 3.18Å; D261-R265 WeakPolarHBondContact O-CG 3.25Å; D261-R265 PolarHBondContact O-N 3.4Å; D261-R265 IonicContact OD1-NE 2.74Å; D261-R265 IonicContact OD1-NH2 2.92Å; D261-R265 IonicContact OD2-CZ 3.76Å; D261-R265 IonicContact OD2-NE 3.67Å; D261-R265 PolarHBondContact OD2-NE 3.4Å; D261-R265 IonicContact OD2-NH2 3.66Å
262L94.3Very high92Very high0 Ų050.3 Ų50.30%028%0.275CS..Hα-helixtrans-60-45.6175.1-66169.5000111.3L248 M251 Y252 L257 Q258 E259 N264 R265 F266 I277L248-L262 HydrophobicContact CD1-CB 4.41Å; L248-L262 HydrophobicContact CD2-CB 4.44Å; L248-L262 HydrophobicContact CD2-CD1 4Å; L248-L262 HydrophobicContact CG-CB 4.17Å; L248-L262 HydrophobicContact CG-CD1 4.35Å; L248-L262 HydrophobicContact CG-CD2 4.31Å; M251-L262 HydrophobicContact CB-CD2 3.8Å; M251-L262 HydrophobicContact CE-CD2 4.16Å; Y252-L262 HydrophobicContact CD2-CD1 4.03Å; Y252-L262 HydrophobicContact CG-CD1 4.37Å; L257-L262 HydrophobicContact CB-CD1 4.35Å; L257-L262 HydrophobicContact CB-CD2 3.9Å; L257-L262 HydrophobicContact CB-CG 3.96Å; L257-L262 HydrophobicContact CD1-CD2 3.95Å; Q258-L262 PolarHBondContact O-N 3.21Å; Q258-L262 VanDerWaalsContact O-N 3.07Å; E259-L262 PolarHBondContact O-N 3.43Å; L262-N264 VanDerWaalsContact C-N 3.31Å; L262-N264 PolarHBondContact O-N 3.4Å; L262-R265 PolarHBondContact O-N 2.84Å; L262-F266 HydrophobicContact CD2-CE2 4.23Å; L262-F266 WeakPolarHBondContact O-CD2 3.35Å; L262-F266 PolarHBondContact O-N 3.15Å; L262-I277 HydrophobicContact CD1-CD1 4.11Å
263A93Very high91.9Very high5 Ų549.8 Ų49.84%0.04127%0.273CS..Hα-helixtrans-57.3-43.8176.300000112.4E259 D261 Q267 I268 P270 A273E259-A263 WeakPolarHBondContact O-CB 3.47Å; E259-A263 PolarHBondContact O-N 3.2Å; D261-A263 PolarHBondContact O-N 3.27Å; A263-Q267 WeakPolarHBondContact O-CA 3.45Å; A263-Q267 PolarHBondContact O-N 2.74Å; A263-I268 CarbonylContact C-O 3.42Å; A263-I268 WeakPolarHBondContact CB-O 3.47Å; A263-I268 PolarHBondContact O-N 3.02Å; A263-I268 VanDerWaalsContact O-O 3.08Å; A263-P270 HydrophobicContact CB-CB 4.26Å; A263-P270 HydrophobicContact CB-CG 3.95Å; A263-A273 HydrophobicContact CB-CB 4.2Å
264N92.9Very high91.8Very high127 Ų12751.4 Ų51.468%0.67929%0.285SS*.Hα-helixtrans-64.3-50.6176.7-172.4-50.8000111.6G260 D261 L262 F266 Q267G260-N264 PolarHBondContact O-N 3.33Å; D261-N264 PolarHBondContact O-N 3.18Å; L262-N264 VanDerWaalsContact C-N 3.31Å; L262-N264 PolarHBondContact O-N 3.4Å; N264-F266 PolarHBondContact O-N 3.06Å; N264-Q267 PolarHBondContact O-N 2.94Å; N264-Q267 VanDerWaalsContact O-N 3.14Å
265R93Very high91.5Very high74 Ų7457.6 Ų57.628%0.27931%0.308SS..Hα-helixtrans-56.1-52.8-178.8-73.2175.1-175.3-91.4-6111.7F176 D261 L262 Q267F176-R265 WeakPolarHBondContact CB-O 3.31Å; F176-R265 HydrophobicContact CD1-CB 4.02Å; F176-R265 HydrophobicContact CD2-CB 4.35Å; F176-R265 HydrophobicContact CE1-CB 4.25Å; F176-R265 HydrophobicContact CG-CB 4.1Å; D261-R265 WeakPolarHBondContact O-CG 3.25Å; D261-R265 PolarHBondContact O-N 3.4Å; D261-R265 IonicContact OD1-NE 2.74Å; D261-R265 IonicContact OD1-NH2 2.92Å; D261-R265 IonicContact OD2-CZ 3.76Å; D261-R265 IonicContact OD2-NE 3.67Å; D261-R265 PolarHBondContact OD2-NE 3.4Å; D261-R265 IonicContact OD2-NH2 3.66Å; L262-R265 PolarHBondContact O-N 2.84Å; R265-Q267 PolarHBondContact O-N 3.49Å
266F92.3Very high91.4Very high12 Ų1257.4 Ų57.45%0.05330%0.304CS..THydrogen-bonded Turntrans-81.10.4-177.6-70.9-88.2000113.5F176 L240 D244 L247 L248 M251 L262 N264 I268F176-F266 AromaticContact CD1-CD1 3.93Å; F176-F266 HydrophobicContact CD1-CD1 3.93Å; F176-F266 HydrophobicContact CD1-CD2 4.01Å; F176-F266 AromaticContact CD1-CE1 3.71Å; F176-F266 HydrophobicContact CD1-CE1 3.71Å; F176-F266 AromaticContact CD1-CE2 3.78Å; F176-F266 HydrophobicContact CD1-CE2 3.78Å; F176-F266 HydrophobicContact CD1-CG 4.1Å; F176-F266 AromaticContact CD1-CZ 3.64Å; F176-F266 HydrophobicContact CD1-CZ 3.64Å; F176-F266 HydrophobicContact CE1-CD2 4.31Å; F176-F266 HydrophobicContact CE1-CE1 4.13Å; F176-F266 AromaticContact CE1-CE2 3.68Å; F176-F266 HydrophobicContact CE1-CE2 3.68Å; F176-F266 AromaticContact CE1-CZ 3.59Å; F176-F266 HydrophobicContact CE1-CZ 3.59Å; F176-F266 WeakPolarHBondContact O-CD1 3.25Å; L240-F266 HydrophobicContact CD1-CD1 3.9Å; L240-F266 HydrophobicContact CD2-CB 4.39Å; L240-F266 HydrophobicContact CD2-CD1 3.64Å; L240-F266 HydrophobicContact CD2-CE1 4.16Å; L240-F266 HydrophobicContact CD2-CG 4.19Å; L240-F266 HydrophobicContact CG-CD1 4.43Å; D244-F266 HydrophobicContact CB-CE1 4.23Å; L247-F266 HydrophobicContact CD2-CE1 4.32Å; L247-F266 HydrophobicContact CD2-CZ 4.11Å; L247-F266 HydrophobicContact CG-CZ 4.14Å; L248-F266 HydrophobicContact CB-CD2 4.21Å; L248-F266 HydrophobicContact CB-CE1 4.35Å; L248-F266 HydrophobicContact CB-CE2 3.72Å; L248-F266 HydrophobicContact CB-CZ 3.79Å; L248-F266 HydrophobicContact CD1-CB 4.4Å; L248-F266 HydrophobicContact CD1-CD2 3.72Å; L248-F266 HydrophobicContact CD1-CE2 4.11Å; L248-F266 HydrophobicContact CD1-CG 4.03Å; L248-F266 HydrophobicContact CG-CD2 4.01Å; L248-F266 HydrophobicContact CG-CE2 3.89Å; L248-F266 HydrophobicContact CG-CZ 4.45Å; M251-F266 HydrophobicContact CE-CE2 4.45Å; M251-F266 HydrophobicContact SD-CE2 3.87Å; M251-F266 HydrophobicContact SD-CZ 3.88Å; L262-F266 HydrophobicContact CD2-CE2 4.23Å; L262-F266 WeakPolarHBondContact O-CD2 3.35Å; L262-F266 PolarHBondContact O-N 3.15Å; N264-F266 PolarHBondContact O-N 3.06Å; F266-I268 HydrophobicContact CB-CD1 4.28Å; F266-I268 HydrophobicContact CB-CG1 4.13Å; F266-I268 HydrophobicContact CB-CG2 4.49Å; F266-I268 PolarHBondContact O-N 3.12Å
267Q90.4Very high91.5Very high145 Ų14556.8 Ų56.868%0.67830%0.297SS*.THydrogen-bonded Turntrans54.939.1-178.9-57.8175.22700113.2S174 A263 N264 R265S174-Q267 PolarHBondContact O-NE2 2.65Å; A263-Q267 WeakPolarHBondContact O-CA 3.45Å; A263-Q267 PolarHBondContact O-N 2.74Å; N264-Q267 PolarHBondContact O-N 2.94Å; N264-Q267 VanDerWaalsContact O-N 3.14Å; R265-Q267 PolarHBondContact O-N 3.49Å
268I91.1Very high91.4Very high29 Ų2957.3 Ų57.315%0.14930%0.303CS..  trans-115.1164.6177.262.1176000110.7L248 A263 F266 T272 A273 I276L248-I268 HydrophobicContact CD1-CD1 3.65Å; A263-I268 CarbonylContact C-O 3.42Å; A263-I268 WeakPolarHBondContact CB-O 3.47Å; A263-I268 PolarHBondContact O-N 3.02Å; A263-I268 VanDerWaalsContact O-O 3.08Å; F266-I268 HydrophobicContact CB-CD1 4.28Å; F266-I268 HydrophobicContact CB-CG1 4.13Å; F266-I268 HydrophobicContact CB-CG2 4.49Å; F266-I268 PolarHBondContact O-N 3.12Å; I268-T272 HydrophobicContact CB-CG2 4.4Å; I268-T272 HydrophobicContact CD1-CG2 4.25Å; I268-A273 HydrophobicContact CD1-CB 3.94Å; I268-A273 HydrophobicContact CG1-CB 4.42Å; I268-I276 HydrophobicContact CD1-CD1 3.75Å
269H90.9Very high91.5Very high120 Ų12053.5 Ų53.556%0.55629%0.286SS*.  trans-70.6145175.1-169.1-96000111.2S271 T272 A273H269-S271 VanDerWaalsContact C-N 3.27Å; H269-S271 PolarHBondContact CE1-OG 3.33Å; H269-S271 PolarHBondContact ND1-N 3.36Å; H269-S271 PolarHBondContact ND1-OG 3.01Å; H269-S271 PolarHBondContact O-N 2.79Å; H269-T272 WeakPolarHBondContact O-CA 3.31Å; H269-T272 VanDerWaalsContact O-CB 3.23Å; H269-T272 WeakPolarHBondContact O-CB 3.49Å; H269-T272 PolarHBondContact O-N 3.13Å; H269-A273 PolarHBondContact O-N 2.88Å
270P90.1Very high91.7Very high61 Ų6150.4 Ų50.440%0.39627%0.272SS..Hα-helixtrans-54.5-38177.8-29.236000114.6A263 T272 A273 S274A263-P270 HydrophobicContact CB-CB 4.26Å; A263-P270 HydrophobicContact CB-CG 3.95Å; P270-T272 VanDerWaalsContact C-N 3.27Å; P270-T272 PolarHBondContact O-N 2.89Å; P270-A273 PolarHBondContact O-N 3.48Å; P270-S274 PolarHBondContact O-N 2.83Å
271S89.1Confident91.9Very high64 Ų6448.3 Ų48.345%0.44825%0.25SC..Hα-helixtrans-65.3-30.9174.566.60000112.7H269 R275H269-S271 VanDerWaalsContact C-N 3.27Å; H269-S271 PolarHBondContact CE1-OG 3.33Å; H269-S271 PolarHBondContact ND1-N 3.36Å; H269-S271 PolarHBondContact ND1-OG 3.01Å; H269-S271 PolarHBondContact O-N 2.79Å; S271-R275 WeakPolarHBondContact O-CB 3.35Å; S271-R275 WeakPolarHBondContact O-CD 3.4Å; S271-R275 WeakPolarHBondContact O-CG 3.32Å; S271-R275 PolarHBondContact O-N 2.89Å
272T90.8Very high91.8Very high56 Ų5648.2 Ų48.234%0.34425%0.249SC..Hα-helixtrans-68.5-44.4173.6-52.30000110.4I268 H269 P270 S274 R275 I276I268-T272 HydrophobicContact CB-CG2 4.4Å; I268-T272 HydrophobicContact CD1-CG2 4.25Å; H269-T272 WeakPolarHBondContact O-CA 3.31Å; H269-T272 VanDerWaalsContact O-CB 3.23Å; H269-T272 WeakPolarHBondContact O-CB 3.49Å; H269-T272 PolarHBondContact O-N 3.13Å; P270-T272 VanDerWaalsContact C-N 3.27Å; P270-T272 PolarHBondContact O-N 2.89Å; T272-S274 PolarHBondContact O-N 3.43Å; T272-R275 PolarHBondContact O-N 3.24Å; T272-I276 HydrophobicContact CG2-CD1 4Å; T272-I276 VanDerWaalsContact O-CG1 3.29Å; T272-I276 WeakPolarHBondContact O-CG1 3.38Å; T272-I276 PolarHBondContact O-N 3.32Å
273A92.1Very high91.8Very high0 Ų049.4 Ų49.40%025%0.254CS..Hα-helixtrans-59.1-46.8175.200000111.7L248 A263 I268 H269 P270 R275 I276 I277L248-A273 HydrophobicContact CD1-CB 4.46Å; A263-A273 HydrophobicContact CB-CB 4.2Å; I268-A273 HydrophobicContact CD1-CB 3.94Å; I268-A273 HydrophobicContact CG1-CB 4.42Å; H269-A273 PolarHBondContact O-N 2.88Å; P270-A273 PolarHBondContact O-N 3.48Å; A273-R275 PolarHBondContact O-N 3.23Å; A273-I276 PolarHBondContact O-N 3.24Å; A273-I277 WeakPolarHBondContact O-CD1 3.28Å; A273-I277 WeakPolarHBondContact O-CG1 3.32Å; A273-I277 PolarHBondContact O-N 2.9Å
274S91Very high91.9Very high34 Ų3449.1 Ų49.124%0.23825%0.252CS..Hα-helixtrans-60.7-43.8176.8-1660000112.2E259 P270 T272 I276 I277 C278E259-S274 WeakPolarHBondContact OE1-CB 3.18Å; E259-S274 PolarHBondContact OE1-OG 3.38Å; E259-S274 WeakPolarHBondContact OE2-CB 3.44Å; E259-S274 PolarHBondContact OE2-OG 3.23Å; P270-S274 PolarHBondContact O-N 2.83Å; T272-S274 PolarHBondContact O-N 3.43Å; S274-I276 PolarHBondContact O-N 3.44Å; S274-I277 PolarHBondContact O-N 3.22Å; S274-C278 PolarHBondContact O-N 3.24Å; S274-C278 PolarHBondContact O-SG 2.92Å
275R90Very high91.9Very high130 Ų13046.8 Ų46.849%0.49123%0.234SC..Hα-helixtrans-60.4-44.9174.3-76.6167.558.595.54112.1S217 S271 T272 A273 C278 L279S217-R275 PolarHBondContact O-NH1 2.85Å; S217-R275 VanDerWaalsContact O-NH1 3.08Å; S217-R275 PolarHBondContact O-NH2 3.25Å; S271-R275 WeakPolarHBondContact O-CB 3.35Å; S271-R275 WeakPolarHBondContact O-CD 3.4Å; S271-R275 WeakPolarHBondContact O-CG 3.32Å; S271-R275 PolarHBondContact O-N 2.89Å; T272-R275 PolarHBondContact O-N 3.24Å; A273-R275 PolarHBondContact O-N 3.23Å; R275-C278 PolarHBondContact O-N 3.34Å; R275-L279 WeakPolarHBondContact O-CB 3.39Å; R275-L279 PolarHBondContact O-N 2.98Å
276I92.1Very high91.9Very high10 Ų1047 Ų475%0.05125%0.247CC..Hα-helixtrans-58.6-49.2176.5-73.2165.3000109.8L240 E245 L248 I268 T272 A273 S274 C278 L279 W280L240-I276 HydrophobicContact CD2-CD1 4.42Å; E245-I276 HydrophobicContact CB-CG2 3.85Å; E245-I276 HydrophobicContact CG-CD1 4.03Å; E245-I276 HydrophobicContact CG-CG1 4.25Å; E245-I276 HydrophobicContact CG-CG2 4.3Å; L248-I276 HydrophobicContact CD1-CD1 4.33Å; L248-I276 HydrophobicContact CD1-CG2 4.5Å; L248-I276 HydrophobicContact CD2-CG2 3.95Å; I268-I276 HydrophobicContact CD1-CD1 3.75Å; T272-I276 HydrophobicContact CG2-CD1 4Å; T272-I276 VanDerWaalsContact O-CG1 3.29Å; T272-I276 WeakPolarHBondContact O-CG1 3.38Å; T272-I276 PolarHBondContact O-N 3.32Å; A273-I276 PolarHBondContact O-N 3.24Å; S274-I276 PolarHBondContact O-N 3.44Å; I276-C278 PolarHBondContact O-N 3.39Å; I276-L279 PolarHBondContact O-N 2.75Å; I276-W280 WeakPolarHBondContact O-CB 3.43Å; I276-W280 VanDerWaalsContact O-CD1 3.26Å; I276-W280 PolarHBondContact O-N 3Å
277I92.5Very high92Very high4 Ų448.3 Ų48.32%0.02125%0.254CS..Hα-helixtrans-58.3-49.6-179.3-70.5159.7000111.3L248 Y252 E259 L262 A273 S274 A281L248-I277 HydrophobicContact CD2-CD1 4.11Å; L248-I277 HydrophobicContact CD2-CG1 3.69Å; Y252-I277 HydrophobicContact CD1-CD1 4.42Å; Y252-I277 HydrophobicContact CD1-CG1 4.34Å; Y252-I277 HydrophobicContact CD1-CG2 3.67Å; Y252-I277 HydrophobicContact CD2-CD1 3.58Å; Y252-I277 HydrophobicContact CD2-CG1 4.31Å; Y252-I277 HydrophobicContact CE1-CG2 3.44Å; Y252-I277 VanDerWaalsContact CE1-CG2 3.44Å; Y252-I277 HydrophobicContact CE2-CD1 3.86Å; Y252-I277 HydrophobicContact CE2-CG2 4.4Å; Y252-I277 HydrophobicContact CG-CD1 3.85Å; Y252-I277 HydrophobicContact CG-CG1 4.07Å; Y252-I277 HydrophobicContact CG-CG2 4.21Å; E259-I277 HydrophobicContact CG-CD1 3.88Å; L262-I277 HydrophobicContact CD1-CD1 4.11Å; A273-I277 WeakPolarHBondContact O-CD1 3.28Å; A273-I277 WeakPolarHBondContact O-CG1 3.32Å; A273-I277 PolarHBondContact O-N 2.9Å; S274-I277 PolarHBondContact O-N 3.22Å; I277-A281 VanDerWaalsContact O-CB 3.3Å; I277-A281 WeakPolarHBondContact O-CB 3.27Å; I277-A281 PolarHBondContact O-N 3.23Å
278C90.8Very high92.1Very high43 Ų4341.6 Ų41.629%0.29122%0.223SC..Hα-helixtrans-62.3-44.9178.5-70.90000112S274 R275 I276 W280 A281 D282S274-C278 PolarHBondContact O-N 3.24Å; S274-C278 PolarHBondContact O-SG 2.92Å; R275-C278 PolarHBondContact O-N 3.34Å; I276-C278 PolarHBondContact O-N 3.39Å; C278-W280 PolarHBondContact O-N 3.3Å; C278-A281 PolarHBondContact O-N 3.05Å; C278-D282 WeakPolarHBondContact O-CB 3.3Å; C278-D282 PolarHBondContact O-N 2.94Å
279L91.7Very high92Very high38 Ų3842.6 Ų42.620%0.19924%0.24CC..Hα-helixtrans-64.3-43.3-177.8-171.569.8000112M214 I215 R216 R275 I276 D282 Y283M214-L279 HydrophobicContact CG-CD1 3.69Å; M214-L279 HydrophobicContact CG-CD2 3.68Å; M214-L279 HydrophobicContact CG-CG 3.48Å; M214-L279 VanDerWaalsContact CG-CG 3.48Å; M214-L279 HydrophobicContact SD-CB 4.5Å; M214-L279 HydrophobicContact SD-CD1 4.29Å; M214-L279 HydrophobicContact SD-CD2 3.28Å; M214-L279 WeakPolarHBondContact SD-CD2 3.49Å; M214-L279 HydrophobicContact SD-CG 3.39Å; M214-L279 WeakPolarHBondContact SD-CG 3.44Å; I215-L279 WeakPolarHBondContact O-CD1 3.13Å; R216-L279 HydrophobicContact CG-CD2 3.77Å; R275-L279 WeakPolarHBondContact O-CB 3.39Å; R275-L279 PolarHBondContact O-N 2.98Å; I276-L279 PolarHBondContact O-N 2.75Å; L279-D282 PolarHBondContact O-N 3.49Å; L279-Y283 VanDerWaalsContact O-CB 3.25Å; L279-Y283 WeakPolarHBondContact O-CB 3.15Å; L279-Y283 PolarHBondContact O-N 3.43Å
280W94.4Very high92Very high0 Ų041 Ų410%024%0.243CC..Hα-helixtrans-70.8-35.5176.3-82.388.1000112.5W204 I207 V211 M214 P242 E245 L246 F249 I276 C278 Y283 L284W204-W280 AromaticContact CZ3-CH2 3.78Å; W204-W280 HydrophobicContact CZ3-CH2 3.78Å; W204-W280 HydrophobicContact CZ3-CZ2 4.44Å; I207-W280 HydrophobicContact CD1-CZ3 4Å; V211-W280 HydrophobicContact CG1-CH2 3.95Å; V211-W280 HydrophobicContact CG1-CZ2 4.03Å; V211-W280 HydrophobicContact CG2-CH2 3.83Å; V211-W280 HydrophobicContact CG2-CZ3 4.49Å; M214-W280 HydrophobicContact CE-CD2 3.9Å; M214-W280 HydrophobicContact CE-CE3 4.1Å; M214-W280 HydrophobicContact CE-CG 4.43Å; M214-W280 HydrophobicContact CE-CH2 4Å; M214-W280 HydrophobicContact CE-CZ2 3.84Å; M214-W280 HydrophobicContact CE-CZ3 4.14Å; P242-W280 HydrophobicContact CB-CZ2 4.5Å; P242-W280 WeakPolarHBondContact O-CZ2 3.3Å; E245-W280 HydrophobicContact CB-CZ2 4.23Å; E245-W280 PolarHBondContact OE2-NE1 2.89Å; E245-W280 VanDerWaalsContact OE2-NE1 3.1Å; L246-W280 HydrophobicContact CB-CD2 4.4Å; L246-W280 HydrophobicContact CB-CE3 4.13Å; L246-W280 HydrophobicContact CB-CH2 3.83Å; L246-W280 HydrophobicContact CB-CZ2 4.05Å; L246-W280 HydrophobicContact CB-CZ3 3.85Å; L246-W280 HydrophobicContact CD1-CD2 4.48Å; L246-W280 HydrophobicContact CD1-CE3 3.66Å; L246-W280 HydrophobicContact CD1-CZ3 3.69Å; L246-W280 HydrophobicContact CG-CE3 4.47Å; L246-W280 HydrophobicContact CG-CZ3 4.21Å; F249-W280 HydrophobicContact CB-CB 3.79Å; F249-W280 HydrophobicContact CB-CG 4.19Å; F249-W280 HydrophobicContact CD1-CB 4.38Å; F249-W280 HydrophobicContact CD2-CB 3.76Å; F249-W280 HydrophobicContact CE2-CB 4.49Å; F249-W280 HydrophobicContact CG-CB 3.69Å; I276-W280 WeakPolarHBondContact O-CB 3.43Å; I276-W280 VanDerWaalsContact O-CD1 3.26Å; I276-W280 PolarHBondContact O-N 3Å; C278-W280 PolarHBondContact O-N 3.3Å; W280-Y283 AromaticContact CE3-CD1 3.94Å; W280-Y283 HydrophobicContact CE3-CD1 3.94Å; W280-Y283 HydrophobicContact CE3-CE1 4.36Å; W280-Y283 HydrophobicContact CH2-CE1 4.42Å; W280-Y283 AromaticContact CZ3-CD1 3.85Å; W280-Y283 HydrophobicContact CZ3-CD1 3.85Å; W280-Y283 AromaticContact CZ3-CE1 3.8Å; W280-Y283 HydrophobicContact CZ3-CE1 3.8Å; W280-L284 HydrophobicContact CE3-CD1 4.29Å; W280-L284 HydrophobicContact CE3-CG 4.23Å; W280-L284 VanDerWaalsContact O-CB 3.29Å; W280-L284 WeakPolarHBondContact O-CB 3.34Å; W280-L284 WeakPolarHBondContact O-CG 3.14Å; W280-L284 PolarHBondContact O-N 3.03Å
281A93.6Very high91.9Very high1 Ų141.5 Ų41.51%0.00824%0.242CC..Hα-helixtrans-60.6-46.8172.100000111.3F249 I277 C278 Y285 L465F249-A281 HydrophobicContact CE2-CB 3.87Å; F249-A281 HydrophobicContact CZ-CB 4.49Å; I277-A281 VanDerWaalsContact O-CB 3.3Å; I277-A281 WeakPolarHBondContact O-CB 3.27Å; I277-A281 PolarHBondContact O-N 3.23Å; C278-A281 PolarHBondContact O-N 3.05Å; A281-Y285 WeakPolarHBondContact O-CB 3.5Å; A281-Y285 PolarHBondContact O-N 3.47Å; A281-L465 HydrophobicContact CB-CD2 3.94Å
282D92Very high91.8Very high59 Ų5944 Ų4432%0.31626%0.259SS..Hα-helixtrans-65.2-48.3178.7-73.7-19.1000111.7C278 L279 Y285 S286 K464C278-D282 WeakPolarHBondContact O-CB 3.3Å; C278-D282 PolarHBondContact O-N 2.94Å; L279-D282 PolarHBondContact O-N 3.49Å; D282-Y285 PolarHBondContact O-N 2.94Å; D282-S286 WeakPolarHBondContact O-CB 3.49Å; D282-S286 PolarHBondContact O-N 3.27Å; D282-S286 PolarHBondContact O-OG 2.88Å; D282-K464 WeakPolarHBondContact OD1-CD 3.36Å; D282-K464 WeakPolarHBondContact OD1-CE 3.41Å; D282-K464 IonicContact OD1-NZ 2.65Å; D282-K464 PolarHBondContact OD1-NZ 3.15Å; D282-K464 IonicContact OD2-NZ 2.79Å
283Y93.6Very high91.9Very high25 Ų2543.5 Ų43.510%0.09825%0.253CS..Hα-helixtrans-61.5-49.6179.8168.1-105.6000112.3I207 S210 V211 M214 L279 W280 Y285 S286 L287I207-Y283 HydrophobicContact CD1-CE1 4.33Å; I207-Y283 PolarHBondContact O-OH 3.28Å; I207-Y283 VanDerWaalsContact O-OH 3.07Å; S210-Y283 PolarHBondContact OG-OH 3.15Å; V211-Y283 HydrophobicContact CG2-CE1 4.04Å; V211-Y283 WeakPolarHBondContact CG2-OH 3.35Å; M214-Y283 HydrophobicContact CE-CD1 3.38Å; M214-Y283 HydrophobicContact CE-CD2 3.96Å; M214-Y283 HydrophobicContact CE-CE1 3.99Å; M214-Y283 HydrophobicContact CE-CG 3.34Å; L279-Y283 VanDerWaalsContact O-CB 3.25Å; L279-Y283 WeakPolarHBondContact O-CB 3.15Å; L279-Y283 PolarHBondContact O-N 3.43Å; W280-Y283 AromaticContact CE3-CD1 3.94Å; W280-Y283 HydrophobicContact CE3-CD1 3.94Å; W280-Y283 HydrophobicContact CE3-CE1 4.36Å; W280-Y283 HydrophobicContact CH2-CE1 4.42Å; W280-Y283 AromaticContact CZ3-CD1 3.85Å; W280-Y283 HydrophobicContact CZ3-CD1 3.85Å; W280-Y283 AromaticContact CZ3-CE1 3.8Å; W280-Y283 HydrophobicContact CZ3-CE1 3.8Å; Y283-Y285 VanDerWaalsContact C-N 3.32Å; Y283-Y285 PolarHBondContact O-N 3.31Å; Y283-S286 PolarHBondContact O-N 3.24Å; Y283-L287 HydrophobicContact CE1-CD2 4.09Å; Y283-L287 WeakPolarHBondContact O-CB 3.32Å; Y283-L287 PolarHBondContact O-N 3.43Å
284L94.8Very high92.1Very high0 Ų045 Ų450%026%0.259CS..Hα-helixtrans-67.3-35.2179-71173.8000111.6F203 I207 L246 F249 W280 L288 V468F203-L284 HydrophobicContact CE1-CD2 4.37Å; F203-L284 HydrophobicContact CZ-CD2 4.02Å; I207-L284 HydrophobicContact CD1-CD2 4.19Å; L246-L284 HydrophobicContact CD1-CD1 4.18Å; F249-L284 HydrophobicContact CD1-CD1 3.74Å; F249-L284 HydrophobicContact CE1-CD1 3.43Å; F249-L284 VanDerWaalsContact CE1-CD1 3.43Å; F249-L284 HydrophobicContact CZ-CD1 4.2Å; W280-L284 HydrophobicContact CE3-CD1 4.29Å; W280-L284 HydrophobicContact CE3-CG 4.23Å; W280-L284 VanDerWaalsContact O-CB 3.29Å; W280-L284 WeakPolarHBondContact O-CB 3.34Å; W280-L284 WeakPolarHBondContact O-CG 3.14Å; W280-L284 PolarHBondContact O-N 3.03Å; L284-L288 HydrophobicContact CB-CD1 4.39Å; L284-L288 WeakPolarHBondContact O-CB 3.38Å; L284-L288 VanDerWaalsContact O-CG 3.28Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 2.85Å; L284-V468 HydrophobicContact CB-CG1 3.9Å; L284-V468 HydrophobicContact CB-CG2 3.86Å; L284-V468 HydrophobicContact CD1-CG1 4.03Å
285Y94.6Very high92.2Very high77 Ų7745.5 Ų45.530%0.30226%0.258SS..Hα-helixtrans-62.1-47.4174.7178.5-97.5000111.2A281 D282 Y283 G289 K464 T467A281-Y285 WeakPolarHBondContact O-CB 3.5Å; A281-Y285 PolarHBondContact O-N 3.47Å; D282-Y285 PolarHBondContact O-N 2.94Å; Y283-Y285 VanDerWaalsContact C-N 3.32Å; Y283-Y285 PolarHBondContact O-N 3.31Å; Y285-G289 VanDerWaalsContact O-CA 3.31Å; Y285-G289 WeakPolarHBondContact O-CA 3.44Å; Y285-G289 PolarHBondContact O-N 2.8Å; Y285-K464 HydrophobicContact CD1-CG 4.17Å; Y285-K464 HydrophobicContact CD2-CB 3.93Å; Y285-K464 HydrophobicContact CD2-CG 3.95Å; Y285-K464 HydrophobicContact CE1-CG 4.48Å; Y285-K464 HydrophobicContact CE2-CG 4.26Å; Y285-K464 HydrophobicContact CG-CB 4.07Å; Y285-K464 HydrophobicContact CG-CG 3.89Å; Y285-T467 HydrophobicContact CD2-CG2 3.96Å; Y285-T467 HydrophobicContact CE2-CG2 3.8Å
286S92.8Very high92.3Very high79 Ų7945 Ų4555%0.55227%0.265SS*.Hα-helixtrans-66.8-45.5176.8-68.30000112.3D282 Y283 S290D282-S286 WeakPolarHBondContact O-CB 3.49Å; D282-S286 PolarHBondContact O-N 3.27Å; D282-S286 PolarHBondContact O-OG 2.88Å; Y283-S286 PolarHBondContact O-N 3.24Å; S286-S290 VanDerWaalsContact O-CB 3.24Å; S286-S290 WeakPolarHBondContact O-CB 3.48Å; S286-S290 PolarHBondContact O-N 3.49Å; S286-S290 PolarHBondContact O-OG 2.93Å
287L93.2Very high92.4Very high40 Ų4045 Ų4521%0.20927%0.267CS..Hα-helixtrans-64.5-57.7-178.4179.568.7000111I207 Y283 G289 S290I207-L287 HydrophobicContact CB-CD2 3.79Å; I207-L287 HydrophobicContact CG2-CD2 3.47Å; I207-L287 VanDerWaalsContact CG2-CD2 3.47Å; Y283-L287 HydrophobicContact CE1-CD2 4.09Å; Y283-L287 WeakPolarHBondContact O-CB 3.32Å; Y283-L287 PolarHBondContact O-N 3.43Å; L287-G289 VanDerWaalsContact C-N 3.34Å; L287-G289 PolarHBondContact O-N 2.79Å; L287-S290 PolarHBondContact O-N 2.79Å; L287-S290 PolarHBondContact O-OG 3.49Å
288L93.1Very high92.4Very high3 Ų350.4 Ų50.42%0.01630%0.296CS..Hα-helixtrans-70.2-33.1-176.8-58.4176.2000111.5F203 L284 S290 L291 L471 L472 Y475F203-L288 HydrophobicContact CE2-CD2 4.29Å; L284-L288 HydrophobicContact CB-CD1 4.39Å; L284-L288 WeakPolarHBondContact O-CB 3.38Å; L284-L288 VanDerWaalsContact O-CG 3.28Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 2.85Å; L288-S290 VanDerWaalsContact C-N 3.31Å; L288-S290 PolarHBondContact O-N 3.31Å; L288-L291 HydrophobicContact CD2-CD1 4.09Å; L288-L291 WeakPolarHBondContact O-CB 3.42Å; L288-L291 PolarHBondContact O-N 3.41Å; L288-L471 HydrophobicContact CB-CB 4.02Å; L288-L471 HydrophobicContact CB-CD1 3.55Å; L288-L471 HydrophobicContact CB-CG 4.41Å; L288-L471 HydrophobicContact CD1-CB 3.95Å; L288-L472 HydrophobicContact CD1-CD2 4.03Å; L288-L472 HydrophobicContact CD1-CG 4.09Å; L288-Y475 HydrophobicContact CD2-CE2 3.97Å
289G89.2Confident92.5Very high50 Ų5050.3 Ų50.352%0.51530%0.298SS..Hα-helixtrans-71.7-22.1175.300000114Y285 L287 L291Y285-G289 VanDerWaalsContact O-CA 3.31Å; Y285-G289 WeakPolarHBondContact O-CA 3.44Å; Y285-G289 PolarHBondContact O-N 2.8Å; L287-G289 VanDerWaalsContact C-N 3.34Å; L287-G289 PolarHBondContact O-N 2.79Å; G289-L291 VanDerWaalsContact C-N 3.28Å
290S90.4Very high92.6Very high88 Ų8848.6 Ų48.662%0.61529%0.289SS*.THydrogen-bonded Turntrans-77.2-14.7172.773.30000113.5S286 L287 L288S286-S290 VanDerWaalsContact O-CB 3.24Å; S286-S290 WeakPolarHBondContact O-CB 3.48Å; S286-S290 PolarHBondContact O-N 3.49Å; S286-S290 PolarHBondContact O-OG 2.93Å; L287-S290 PolarHBondContact O-N 2.79Å; L287-S290 PolarHBondContact O-OG 3.49Å; L288-S290 VanDerWaalsContact C-N 3.31Å; L288-S290 PolarHBondContact O-N 3.31Å
291L88.6Confident92.5Very high70 Ų7053.5 Ų53.537%0.36631%0.308SS..SBendtrans-73.2131.3176.5-58.8176.2000109.6L288 G289 I293 Y475L288-L291 HydrophobicContact CD2-CD1 4.09Å; L288-L291 WeakPolarHBondContact O-CB 3.42Å; L288-L291 PolarHBondContact O-N 3.41Å; G289-L291 VanDerWaalsContact C-N 3.28Å; L291-I293 VanDerWaalsContact C-N 3.28Å; L291-I293 HydrophobicContact CB-CG2 4.04Å; L291-I293 PolarHBondContact O-N 3.17Å; L291-Y475 VanDerWaalsContact CD1-OH 3.29Å; L291-Y475 WeakPolarHBondContact CD1-OH 3.5Å
292C87.1Confident92.5Very high118 Ų11857.6 Ų57.680%0.79734%0.342SS*.  trans-72.688.6168.1-166.90000108.9W294C292-W294 VanDerWaalsContact C-N 3.32Å
293I92.9Very high92.5Very high44 Ų4460.7 Ų60.723%0.22635%0.354CS..  trans-83.8-9.3179.356.6160.8000113.3L291 I295 T360 L471L291-I293 VanDerWaalsContact C-N 3.28Å; L291-I293 HydrophobicContact CB-CG2 4.04Å; L291-I293 PolarHBondContact O-N 3.17Å; I293-I295 PolarHBondContact O-N 2.98Å; I293-T360 WeakPolarHBondContact O-CA 3.49Å; I293-T360 WeakPolarHBondContact O-CB 3.44Å; I293-L471 HydrophobicContact CD1-CD2 3.45Å; I293-L471 VanDerWaalsContact CD1-CD2 3.45Å; I293-L471 HydrophobicContact CG2-CD2 4.45Å
294W94.9Very high92.4Very high33 Ų3361.4 Ų61.413%0.12536%0.359CS..PPolyproline II helixtrans-73.9120.8172.8-172-102.7000108.8C292 Q315 V316 F361 L381 R384 L385 M389C292-W294 VanDerWaalsContact C-N 3.32Å; W294-Q315 HydrophobicContact CH2-CG 3.91Å; W294-Q315 HydrophobicContact CZ2-CG 3.69Å; W294-V316 HydrophobicContact CH2-CB 4.27Å; W294-V316 HydrophobicContact CH2-CG1 4.12Å; W294-V316 HydrophobicContact CZ3-CB 4.4Å; W294-V316 HydrophobicContact CZ3-CG2 4.45Å; W294-F361 HydrophobicContact CZ3-CB 4.39Å; W294-L381 HydrophobicContact CH2-CD1 3.8Å; W294-L381 HydrophobicContact CZ3-CD1 3.58Å; W294-R384 HydrophobicContact CD2-CB 4.36Å; W294-R384 HydrophobicContact CH2-CB 4.32Å; W294-R384 HydrophobicContact CZ2-CB 3.92Å; W294-L385 HydrophobicContact CH2-CD2 4Å; W294-L385 HydrophobicContact CZ2-CD2 4.2Å; W294-M389 HydrophobicContact CZ2-SD 4.41Å
295I93.4Very high92.3Very high43 Ų4363 Ų6322%0.22137%0.37CS..PPolyproline II helixtrans-94137.1-174.6-56.7175.3000108.8I293 A299 I300 Q315 A354 A358 T360I293-I295 PolarHBondContact O-N 2.98Å; I295-A299 HydrophobicContact CG2-CB 3.69Å; I295-I300 HydrophobicContact CB-CD1 3.93Å; I295-I300 HydrophobicContact CB-CG1 4.05Å; I295-I300 HydrophobicContact CD1-CD1 4.17Å; I295-I300 HydrophobicContact CG2-CD1 3.92Å; I295-I300 HydrophobicContact CG2-CG1 3.82Å; I295-Q315 PolarHBondContact O-NE2 3.41Å; I295-A354 HydrophobicContact CD1-CB 4.45Å; I295-A358 HydrophobicContact CD1-CB 4.49Å; I295-T360 HydrophobicContact CB-CG2 4.48Å; I295-T360 HydrophobicContact CD1-CG2 3.58Å; I295-T360 HydrophobicContact CG1-CG2 3.77Å
296D93.6Very high92.1Very high120 Ų12065 Ų6564%0.64238%0.382SS*.PPolyproline II helixtrans-62147.1175.9-64.5-45.2000112.2D298 A299 I300D296-D298 VanDerWaalsContact C-N 3.26Å; D296-D298 PolarHBondContact O-N 3.37Å; D296-A299 PolarHBondContact O-N 3.11Å; D296-I300 PolarHBondContact O-N 2.79Å
297A92.6Very high92Very high11 Ų1166.7 Ų66.79%0.09139%0.385CS..Hα-helixtrans-59.7-36.1-176.400000112.9I300 R301 Q315 M389A297-I300 PolarHBondContact O-N 3.22Å; A297-R301 WeakPolarHBondContact O-CB 3.26Å; A297-R301 VanDerWaalsContact O-CG 3.32Å; A297-R301 WeakPolarHBondContact O-CG 3.4Å; A297-R301 PolarHBondContact O-N 3.08Å; A297-Q315 VanDerWaalsContact CA-OE1 3.31Å; A297-M389 HydrophobicContact CB-CE 3.96Å; A297-M389 HydrophobicContact CB-CG 4.49Å
298D92.8Very high91.9Very high116 Ų11664.8 Ų64.862%0.6238%0.375SS*.Hα-helixtrans-63.3-41.2175-74.1-50.5000112.7D296 R301 A302D296-D298 VanDerWaalsContact C-N 3.26Å; D296-D298 PolarHBondContact O-N 3.37Å; D298-R301 VanDerWaalsContact CG-NH2 3.28Å; D298-R301 PolarHBondContact O-N 3.15Å; D298-R301 IonicContact OD1-CZ 3.55Å; D298-R301 IonicContact OD1-NE 3.65Å; D298-R301 IonicContact OD1-NH2 3.76Å; D298-R301 PolarHBondContact OD1-NH2 2.75Å; D298-R301 IonicContact OD2-NH2 2.63Å; D298-A302 WeakPolarHBondContact O-CB 3.44Å; D298-A302 PolarHBondContact O-N 3.38Å
299A93.7Very high91.8Very high41 Ų4172.7 Ų72.734%0.33941%0.405SS..Hα-helixtrans-69.3-37.1178.200000111.6I295 D296 A302 Q303I295-A299 HydrophobicContact CG2-CB 3.69Å; D296-A299 PolarHBondContact O-N 3.11Å; A299-A302 PolarHBondContact O-N 3.49Å; A299-Q303 PolarHBondContact O-N 2.91Å
300I93.9Very high91.8Very high2 Ų274.6 Ų74.61%0.0140%0.403CS..Hα-helixtrans-61.3-49.3171.6-66.6-74.9000110.5I295 D296 A297 A302 Q303 L304 T314 A354 P355I295-I300 HydrophobicContact CB-CD1 3.93Å; I295-I300 HydrophobicContact CB-CG1 4.05Å; I295-I300 HydrophobicContact CD1-CD1 4.17Å; I295-I300 HydrophobicContact CG2-CD1 3.92Å; I295-I300 HydrophobicContact CG2-CG1 3.82Å; D296-I300 PolarHBondContact O-N 2.79Å; A297-I300 PolarHBondContact O-N 3.22Å; I300-A302 VanDerWaalsContact C-N 3.3Å; I300-A302 PolarHBondContact O-N 3Å; I300-Q303 CarbonylContact O-C 3.48Å; I300-Q303 PolarHBondContact O-N 3.08Å; I300-Q303 VanDerWaalsContact O-N 3.12Å; I300-L304 PolarHBondContact O-N 3.32Å; I300-T314 WeakPolarHBondContact CG2-O 3.41Å; I300-A354 HydrophobicContact CD1-CB 3.47Å; I300-A354 VanDerWaalsContact CD1-CB 3.47Å; I300-P355 HydrophobicContact CG2-CG 4Å
301R92.3Very high91.9Very high103 Ų10370.5 Ų70.539%0.38937%0.374SS..Hα-helixtrans-59.6-39.8179.3-75.9-174.4-70.1-101.69.2112.3A297 D298 Q303 L304A297-R301 WeakPolarHBondContact O-CB 3.26Å; A297-R301 VanDerWaalsContact O-CG 3.32Å; A297-R301 WeakPolarHBondContact O-CG 3.4Å; A297-R301 PolarHBondContact O-N 3.08Å; D298-R301 VanDerWaalsContact CG-NH2 3.28Å; D298-R301 PolarHBondContact O-N 3.15Å; D298-R301 IonicContact OD1-CZ 3.55Å; D298-R301 IonicContact OD1-NE 3.65Å; D298-R301 IonicContact OD1-NH2 3.76Å; D298-R301 PolarHBondContact OD1-NH2 2.75Å; D298-R301 IonicContact OD2-NH2 2.63Å; R301-Q303 PolarHBondContact O-N 3.05Å; R301-L304 WeakPolarHBondContact O-CB 3.47Å; R301-L304 PolarHBondContact O-N 3.39Å
302A93Very high92.1Very high88 Ų8870.6 Ų70.673%0.72738%0.379SS*.Hα-helixtrans-65.4-25.5178.400000113.5D298 A299 I300D298-A302 WeakPolarHBondContact O-CB 3.44Å; D298-A302 PolarHBondContact O-N 3.38Å; A299-A302 PolarHBondContact O-N 3.49Å; I300-A302 VanDerWaalsContact C-N 3.3Å; I300-A302 PolarHBondContact O-N 3Å
303Q91.2Very high92.5Very high123 Ų12366.9 Ų66.958%0.57535%0.351SS*.THydrogen-bonded Turntrans-114.120-178.6-61.6-177.9-1.800112.5A299 I300 R301 P305A299-Q303 PolarHBondContact O-N 2.91Å; I300-Q303 CarbonylContact O-C 3.48Å; I300-Q303 PolarHBondContact O-N 3.08Å; I300-Q303 VanDerWaalsContact O-N 3.12Å; R301-Q303 PolarHBondContact O-N 3.05Å; Q303-P305 WeakPolarHBondContact O-CD 3.27Å
304L92.7Very high92.6Very high40 Ų4064.9 Ų64.921%0.20934%0.341CS..  trans-68.4123-175.2-170.173.2000110.5I300 R301 F308 P312 P355I300-L304 PolarHBondContact O-N 3.32Å; R301-L304 WeakPolarHBondContact O-CB 3.47Å; R301-L304 PolarHBondContact O-N 3.39Å; L304-F308 HydrophobicContact CD1-CB 3.66Å; L304-F308 HydrophobicContact CD1-CG 4.16Å; L304-F308 HydrophobicContact CD2-CB 4.06Å; L304-F308 HydrophobicContact CG-CB 3.8Å; L304-P312 HydrophobicContact CD2-CB 4.38Å; L304-P355 HydrophobicContact CD1-CB 3.7Å; L304-P355 HydrophobicContact CD1-CG 3.78Å
305P92.5Very high92.6Very high35 Ų3563.4 Ų63.423%0.22734%0.336CS..  trans-66.9152.1176.4-1931.8000112.2Q303 D307 F308 H356Q303-P305 WeakPolarHBondContact O-CD 3.27Å; P305-D307 PolarHBondContact O-N 3.29Å; P305-D307 VanDerWaalsContact O-N 3.12Å; P305-F308 HydrophobicContact CB-CD2 4.1Å; P305-F308 HydrophobicContact CG-CD2 4.13Å; P305-F308 HydrophobicContact CG-CE2 4.39Å; P305-F308 WeakPolarHBondContact O-CB 3.34Å; P305-F308 PolarHBondContact O-N 2.82Å; P305-H356 HydrophobicContact CG-CB 4.31Å
306E90.7Very high92.7Very high118 Ų11861.4 Ų61.455%0.55133%0.325SS*.G310 helixtrans-62.6-25-175.4-59.5-70.4-146.500113.9F308 R309E306-F308 PolarHBondContact O-N 2.88Å; E306-R309 WeakPolarHBondContact O-CB 3.2Å; E306-R309 WeakPolarHBondContact O-CD 3.49Å; E306-R309 WeakPolarHBondContact O-CG 3.44Å; E306-R309 PolarHBondContact O-N 3.44Å; E306-R309 IonicContact OE1-CZ 2.77Å; E306-R309 IonicContact OE1-NE 3.65Å; E306-R309 IonicContact OE1-NH2 2.63Å; E306-R309 PolarHBondContact OE1-NH2 2.95Å; E306-R309 IonicContact OE2-CZ 3.54Å; E306-R309 IonicContact OE2-NE 2.94Å; E306-R309 PolarHBondContact OE2-NE 3.44Å; E306-R309 IonicContact OE2-NH2 3.47Å; E306-R309 PolarHBondContact OE2-NH2 2.88Å
307D89.9Confident92.8Very high114 Ų11455.7 Ų55.761%0.6129%0.294SS*.G310 helixtrans-65-21175.5-63.1-32.3000112.3P305 L433P305-D307 PolarHBondContact O-N 3.29Å; P305-D307 VanDerWaalsContact O-N 3.12Å; D307-L433 HydrophobicContact CB-CD2 3.64Å
308F91.9Very high93Very high0 Ų055.1 Ų55.10%029%0.29CS..G310 helixtrans-93.410.2177.5-69.1-95.9000113.7L304 P305 E306 D310 F311 T314 I317 P355 M392 L433 H436L304-F308 HydrophobicContact CD1-CB 3.66Å; L304-F308 HydrophobicContact CD1-CG 4.16Å; L304-F308 HydrophobicContact CD2-CB 4.06Å; L304-F308 HydrophobicContact CG-CB 3.8Å; P305-F308 HydrophobicContact CB-CD2 4.1Å; P305-F308 HydrophobicContact CG-CD2 4.13Å; P305-F308 HydrophobicContact CG-CE2 4.39Å; P305-F308 WeakPolarHBondContact O-CB 3.34Å; P305-F308 PolarHBondContact O-N 2.82Å; E306-F308 PolarHBondContact O-N 2.88Å; F308-D310 PolarHBondContact O-N 2.93Å; F308-D310 VanDerWaalsContact O-N 3.12Å; F308-F311 CarbonylContact O-C 3.42Å; F308-F311 WeakPolarHBondContact O-CA 3.44Å; F308-F311 PolarHBondContact O-N 2.88Å; F308-T314 HydrophobicContact CD1-CG2 4.27Å; F308-T314 HydrophobicContact CE1-CG2 4.22Å; F308-I317 HydrophobicContact CE1-CD1 3.74Å; F308-I317 HydrophobicContact CE1-CG1 4.29Å; F308-I317 HydrophobicContact CZ-CD1 3.48Å; F308-I317 VanDerWaalsContact CZ-CD1 3.48Å; F308-I317 HydrophobicContact CZ-CG1 4.49Å; F308-P355 HydrophobicContact CD1-CB 4.07Å; F308-P355 HydrophobicContact CD1-CG 4.4Å; F308-P355 HydrophobicContact CD2-CB 3.87Å; F308-P355 HydrophobicContact CE1-CB 4.06Å; F308-P355 HydrophobicContact CE1-CG 4.43Å; F308-P355 HydrophobicContact CE2-CB 3.84Å; F308-P355 HydrophobicContact CG-CB 4Å; F308-P355 HydrophobicContact CZ-CB 3.96Å; F308-M392 HydrophobicContact CD1-CE 4.47Å; F308-M392 HydrophobicContact CE1-CE 4.19Å; F308-L433 HydrophobicContact CD1-CD1 3.88Å; F308-L433 HydrophobicContact CD1-CD2 4.37Å; F308-L433 HydrophobicContact CD2-CD2 4.04Å; F308-L433 HydrophobicContact CE1-CB 3.98Å; F308-L433 HydrophobicContact CE1-CD1 3.94Å; F308-L433 HydrophobicContact CE1-CD2 4.13Å; F308-L433 HydrophobicContact CE1-CG 4.23Å; F308-L433 HydrophobicContact CE2-CD2 3.79Å; F308-L433 HydrophobicContact CG-CD1 4.34Å; F308-L433 HydrophobicContact CG-CD2 4.3Å; F308-L433 HydrophobicContact CZ-CB 4Å; F308-L433 HydrophobicContact CZ-CD1 4.45Å; F308-L433 HydrophobicContact CZ-CD2 3.8Å; F308-L433 HydrophobicContact CZ-CG 4.29Å; F308-H436 AromaticContact CE2-CE1 3.84Å
309R89.7Confident92.8Very high170 Ų17050 Ų5064%0.64227%0.265SS*.THydrogen-bonded Turntrans-51.1-36.7177.5-82.1171.3-179.2-172.34.3113.9E306 F311E306-R309 WeakPolarHBondContact O-CB 3.2Å; E306-R309 WeakPolarHBondContact O-CD 3.49Å; E306-R309 WeakPolarHBondContact O-CG 3.44Å; E306-R309 PolarHBondContact O-N 3.44Å; E306-R309 IonicContact OE1-CZ 2.77Å; E306-R309 IonicContact OE1-NE 3.65Å; E306-R309 IonicContact OE1-NH2 2.63Å; E306-R309 PolarHBondContact OE1-NH2 2.95Å; E306-R309 IonicContact OE2-CZ 3.54Å; E306-R309 IonicContact OE2-NE 2.94Å; E306-R309 PolarHBondContact OE2-NE 3.44Å; E306-R309 IonicContact OE2-NH2 3.47Å; E306-R309 PolarHBondContact OE2-NH2 2.88Å; R309-F311 PolarHBondContact O-N 3.05Å
310D90.3Very high92.7Very high90 Ų9049.6 Ų49.648%0.48126%0.259SS..THydrogen-bonded Turntrans-78.1-7.9177.9-62-63.7000113.6F308 K429F308-D310 PolarHBondContact O-N 2.93Å; F308-D310 VanDerWaalsContact O-N 3.12Å; D310-K429 IonicContact OD1-NZ 2.93Å; D310-K429 PolarHBondContact OD1-NZ 3.31Å; D310-K429 VanDerWaalsContact OD2-CD 3.32Å; D310-K429 WeakPolarHBondContact OD2-CD 3.49Å; D310-K429 WeakPolarHBondContact OD2-CE 3.44Å; D310-K429 IonicContact OD2-NZ 2.78Å; D310-K429 PolarHBondContact OD2-NZ 3.37Å
311F92.6Very high92.4Very high1 Ų149.5 Ų49.50%0.00426%0.259CS..  trans-137.156.7-175-50.4-84.9000111.4F308 R309 D313 T314 M392 Y408 Q426 K429 V430 L433F308-F311 CarbonylContact O-C 3.42Å; F308-F311 WeakPolarHBondContact O-CA 3.44Å; F308-F311 PolarHBondContact O-N 2.88Å; R309-F311 PolarHBondContact O-N 3.05Å; F311-D313 PolarHBondContact O-N 3.45Å; F311-T314 VanDerWaalsContact CB-OG1 3.23Å; F311-T314 WeakPolarHBondContact CB-OG1 3.25Å; F311-T314 WeakPolarHBondContact O-CB 3.43Å; F311-T314 PolarHBondContact O-N 2.9Å; F311-T314 VanDerWaalsContact O-N 3.12Å; F311-T314 PolarHBondContact O-OG1 3.49Å; F311-M392 HydrophobicContact CB-CE 4.32Å; F311-M392 HydrophobicContact CD1-CE 4.27Å; F311-M392 HydrophobicContact CD2-CE 4.32Å; F311-M392 HydrophobicContact CG-CE 4.05Å; F311-Y408 HydrophobicContact CB-CD2 4.32Å; F311-Y408 HydrophobicContact CB-CE2 3.89Å; F311-Y408 AromaticContact CD1-CD1 3.56Å; F311-Y408 HydrophobicContact CD1-CD1 3.56Å; F311-Y408 AromaticContact CD1-CD2 3.87Å; F311-Y408 HydrophobicContact CD1-CD2 3.87Å; F311-Y408 AromaticContact CD1-CE1 3.5Å; F311-Y408 HydrophobicContact CD1-CE1 3.5Å; F311-Y408 VanDerWaalsContact CD1-CE1 3.5Å; F311-Y408 AromaticContact CD1-CE2 3.81Å; F311-Y408 HydrophobicContact CD1-CE2 3.81Å; F311-Y408 AromaticContact CD1-CG 3.73Å; F311-Y408 HydrophobicContact CD1-CG 3.73Å; F311-Y408 AromaticContact CD1-CZ 3.62Å; F311-Y408 AromaticContact CE1-CD1 3.82Å; F311-Y408 HydrophobicContact CE1-CD1 3.82Å; F311-Y408 HydrophobicContact CE1-CE1 4.01Å; F311-Y408 HydrophobicContact CE1-CG 4.21Å; F311-Y408 HydrophobicContact CG-CE2 4.35Å; F311-Q426 HydrophobicContact CE1-CG 4.42Å; F311-Q426 HydrophobicContact CZ-CG 4.28Å; F311-K429 HydrophobicContact CE2-CB 3.92Å; F311-K429 HydrophobicContact CZ-CB 4.08Å; F311-V430 HydrophobicContact CE1-CG2 3.62Å; F311-V430 HydrophobicContact CE2-CG2 4.49Å; F311-V430 HydrophobicContact CZ-CG2 3.53Å; F311-L433 HydrophobicContact CD2-CD1 3.35Å; F311-L433 HydrophobicContact CE2-CD1 3.57Å; F311-L433 HydrophobicContact CG-CD1 4.33Å
312P92.9Very high92.2Very high73 Ų7349.3 Ų49.347%0.47426%0.262SS..THydrogen-bonded Turntrans-68.7-18-166.429.7-37.6000115.1L304L304-P312 HydrophobicContact CD2-CB 4.38Å
313D94.5Very high91.8Very high40 Ų4045.3 Ų45.321%0.21423%0.228CC..THydrogen-bonded Turntrans-92.83.6178.953.4-13.9000112.9F311 Q315 A390 K406 Y408F311-D313 PolarHBondContact O-N 3.45Å; D313-Q315 PolarHBondContact O-N 3.42Å; D313-A390 HydrophobicContact CB-CB 4.17Å; D313-A390 WeakPolarHBondContact O-CB 3.44Å; D313-A390 PolarHBondContact O-N 2.87Å; D313-K406 WeakPolarHBondContact OD2-CD 3.41Å; D313-K406 IonicContact OD2-NZ 3.75Å; D313-Y408 VanDerWaalsContact OD1-CE2 3.22Å; D313-Y408 WeakPolarHBondContact OD1-CE2 3.23Å; D313-Y408 VanDerWaalsContact OD1-CZ 3.28Å; D313-Y408 PolarHBondContact OD1-OH 3.45Å; D313-Y408 PolarHBondContact OD2-OH 3.39Å
314T95.3Very high91.4Very high1 Ų146.5 Ų46.51%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-65.4107.9-179-54.60000111.1I300 F308 F311 I317 P355 M392I300-T314 WeakPolarHBondContact CG2-O 3.41Å; F308-T314 HydrophobicContact CD1-CG2 4.27Å; F308-T314 HydrophobicContact CE1-CG2 4.22Å; F311-T314 VanDerWaalsContact CB-OG1 3.23Å; F311-T314 WeakPolarHBondContact CB-OG1 3.25Å; F311-T314 WeakPolarHBondContact O-CB 3.43Å; F311-T314 PolarHBondContact O-N 2.9Å; F311-T314 VanDerWaalsContact O-N 3.12Å; F311-T314 PolarHBondContact O-OG1 3.49Å; T314-I317 HydrophobicContact CG2-CG1 4.27Å; T314-P355 HydrophobicContact CG2-CG 4.1Å; T314-P355 WeakPolarHBondContact O-CG 3.49Å; T314-M392 HydrophobicContact CG2-CB 4.2Å; T314-M392 HydrophobicContact CG2-CE 4.39Å
315Q95.7Very high90.7Very high3 Ų345 Ų451%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-83.5-44.2176.8178.661.627.300111.4W294 I295 A297 D313 L385 M389 A390W294-Q315 HydrophobicContact CH2-CG 3.91Å; W294-Q315 HydrophobicContact CZ2-CG 3.69Å; I295-Q315 PolarHBondContact O-NE2 3.41Å; A297-Q315 VanDerWaalsContact CA-OE1 3.31Å; D313-Q315 PolarHBondContact O-N 3.42Å; Q315-L385 HydrophobicContact CG-CD2 4.38Å; Q315-M389 HydrophobicContact CB-CB 3.93Å; Q315-M389 HydrophobicContact CB-CG 4.05Å; Q315-M389 HydrophobicContact CB-SD 4.22Å; Q315-M389 HydrophobicContact CG-CB 4.47Å; Q315-M389 HydrophobicContact CG-CG 4.17Å; Q315-M389 HydrophobicContact CG-SD 3.73Å; Q315-A390 PolarHBondContact N-O 3.26Å
316V95.9Very high89.7Confident0 Ų047.7 Ų47.70%023%0.23CC..EExtended strand (participates in β ladder)trans-151.2140-172.769.70000111.6W294 V318 L385 V391 M392W294-V316 HydrophobicContact CH2-CB 4.27Å; W294-V316 HydrophobicContact CH2-CG1 4.12Å; W294-V316 HydrophobicContact CZ3-CB 4.4Å; W294-V316 HydrophobicContact CZ3-CG2 4.45Å; V316-V318 HydrophobicContact CG1-CG2 4.17Å; V316-V318 HydrophobicContact CG2-CG2 4.4Å; V316-L385 HydrophobicContact CG1-CD2 4.11Å; V316-V391 HydrophobicContact CG1-CB 4.3Å; V316-V391 HydrophobicContact CG1-CG2 3.78Å; V316-V391 WeakPolarHBondContact O-CA 3.25Å; V316-M392 PolarHBondContact O-N 2.94Å
317I95.6Very high88.5Confident0 Ų043.6 Ų43.60%021%0.213CC..EExtended strand (participates in β ladder)trans-104.5126.5172-46.1166.7000107F308 T314 V353 M392 H436 V437F308-I317 HydrophobicContact CE1-CD1 3.74Å; F308-I317 HydrophobicContact CE1-CG1 4.29Å; F308-I317 HydrophobicContact CZ-CD1 3.48Å; F308-I317 VanDerWaalsContact CZ-CD1 3.48Å; F308-I317 HydrophobicContact CZ-CG1 4.49Å; T314-I317 HydrophobicContact CG2-CG1 4.27Å; I317-V353 PolarHBondContact N-O 3.01Å; I317-V353 PolarHBondContact O-N 2.91Å; I317-M392 CarbonylContact C-O 3.58Å; I317-M392 WeakPolarHBondContact CA-O 3.44Å; I317-M392 HydrophobicContact CB-CB 4.49Å; I317-M392 HydrophobicContact CG1-CB 4.3Å; I317-M392 HydrophobicContact CG2-CB 4.26Å; I317-M392 HydrophobicContact CG2-CG 4.37Å; I317-M392 HydrophobicContact CG2-SD 4.46Å; I317-H436 HydrophobicContact CD1-CB 3.91Å; I317-V437 HydrophobicContact CB-CB 4.29Å; I317-V437 HydrophobicContact CG2-CB 3.84Å; I317-V437 HydrophobicContact CG2-CG1 3.6Å
318V95Very high87Confident0 Ų040.6 Ų40.60%020%0.2CC..EExtended strand (participates in β ladder)trans-109.5135.3-171-178.80000111.1V316 L350 M351 F376 L381 V391 M392 V393 F397V316-V318 HydrophobicContact CG1-CG2 4.17Å; V316-V318 HydrophobicContact CG2-CG2 4.4Å; V318-L350 HydrophobicContact CG1-CD1 3.35Å; V318-L350 HydrophobicContact CG1-CD2 4.02Å; V318-L350 HydrophobicContact CG1-CG 3.66Å; V318-M351 WeakPolarHBondContact CA-O 3.47Å; V318-F376 HydrophobicContact CG1-CD2 4.43Å; V318-F376 HydrophobicContact CG2-CE2 4.33Å; V318-L381 HydrophobicContact CG2-CD2 3.66Å; V318-V391 HydrophobicContact CG2-CG2 3.59Å; V318-M392 PolarHBondContact N-O 3.44Å; V318-V393 HydrophobicContact CB-CG1 4.2Å; V318-V393 HydrophobicContact CG2-CG1 4.49Å; V318-F397 HydrophobicContact CG1-CE1 4.15Å; V318-F397 HydrophobicContact CG1-CZ 4.12Å
319G90.3Very high85.1Confident9 Ų943.8 Ų43.89%0.09323%0.226CC..EExtended strand (participates in β ladder)trans-140156.917600000111.9M351G319-M351 PolarHBondContact N-O 2.92Å; G319-M351 PolarHBondContact O-N 3.19Å
320C89.8Confident83.3Confident31 Ų3139.8 Ų39.821%0.20922%0.224CC..EExtended strand (participates in β ladder)trans-106.3138175.6-70.90000110.4G349 D372 L375 F397C320-G349 CarbonylContact C-O 3.54Å; C320-G349 WeakPolarHBondContact CA-O 3.36Å; C320-D372 PolarHBondContact SG-OD1 3.14Å; C320-L375 VanDerWaalsContact SG-CD2 3.56Å; C320-F397 WeakPolarHBondContact SG-CZ 3.28Å
321S87.6Confident81.4Confident1 Ų137.8 Ų37.81%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-110.3140166.4-164.50000110R348 G349 K445S321-R348 CarbonylContact O-C 3.51Å; S321-R348 VanDerWaalsContact O-CA 3.32Å; S321-R348 WeakPolarHBondContact O-CA 3.35Å; S321-G349 PolarHBondContact N-O 2.92Å; S321-G349 PolarHBondContact O-N 3.49Å; S321-K445 WeakPolarHBondContact OG-CE 3.3Å
322E88.4Confident79.4Confident99 Ų9941.8 Ų41.846%0.46324%0.241SC..EExtended strand (participates in β ladder)trans-113133.4177.2-49.3-164.3147.500109.5V346 M347 R348E322-V346 HydrophobicContact CB-CG1 3.98Å; E322-M347 CarbonylContact C-O 3.56Å; E322-M347 WeakPolarHBondContact CA-O 3.49Å; E322-R348 HydrophobicContact CG-CG 4.11Å; E322-R348 IonicContact OE1-CZ 2.73Å; E322-R348 IonicContact OE1-NE 3.55Å
323L85.5Confident77Confident3 Ų346.4 Ų46.42%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-117.3142.4176.7-57-179.9000109.5V346 M347 L365 F450 I454 I462 F466L323-V346 CarbonylContact O-C 3.59Å; L323-V346 WeakPolarHBondContact O-CA 3.12Å; L323-M347 PolarHBondContact N-O 3.09Å; L323-M347 PolarHBondContact O-N 2.7Å; L323-L365 HydrophobicContact CD1-CD1 3.75Å; L323-L365 HydrophobicContact CD1-CD2 3.97Å; L323-F450 HydrophobicContact CD1-CD1 4.31Å; L323-F450 HydrophobicContact CD1-CE1 4.41Å; L323-F450 HydrophobicContact CD2-CB 3.82Å; L323-F450 HydrophobicContact CD2-CD1 3.83Å; L323-F450 HydrophobicContact CD2-CD2 4.44Å; L323-F450 HydrophobicContact CD2-CG 3.77Å; L323-I454 HydrophobicContact CB-CD1 4.33Å; L323-I462 HydrophobicContact CD1-CD1 4.26Å; L323-I462 HydrophobicContact CD1-CG1 4.2Å; L323-F466 HydrophobicContact CD1-CB 4.07Å; L323-F466 HydrophobicContact CD1-CD2 3.69Å; L323-F466 HydrophobicContact CD1-CE2 4.41Å; L323-F466 HydrophobicContact CD1-CG 4.03Å; L323-F466 HydrophobicContact CD2-CD2 4.28Å; L323-F466 HydrophobicContact CG-CD2 4.29Å
324R83.4Confident74.6Confident148 Ų14852.6 Ų52.656%0.55828%0.282SS*.EExtended strand (participates in β ladder)trans-102.3123.6176.7-59.8-172.5-170.3109.9-0.1110.5I454R324-I454 PolarHBondContact O-N 2.68Å
325C76.3Confident71.9Confident8 Ų857.5 Ų57.55%0.05431%0.312CS..EExtended strand (participates in β ladder)trans-120151.6-177.9-61.90000111Q344 C345C325-Q344 WeakPolarHBondContact O-CA 3.31Å; C325-C345 PolarHBondContact N-O 3.32Å; C325-C345 PolarHBondContact O-N 2.68Å
326Q72.9Confident69.3Low92 Ų9264.2 Ų64.243%0.4335%0.347SS..EExtended strand (participates in β ladder)trans-71.9132.9167.1-67.1-174.9-8.900109P328 V453 I454Q326-P328 WeakPolarHBondContact O-CD 3.45Å; Q326-V453 HydrophobicContact CB-CG1 4.32Å; Q326-V453 HydrophobicContact CG-CB 4.33Å; Q326-V453 HydrophobicContact CG-CG1 3.47Å; Q326-V453 VanDerWaalsContact CG-CG1 3.47Å; Q326-I454 WeakPolarHBondContact CG-O 3.33Å; Q326-I454 PolarHBondContact N-O 3.32Å
327T64.1Low67Low33 Ų3372 Ų7220%0.20239%0.386CS..PPolyproline II helixtrans-65.6124.8176.3-58.60000109.5A331 L332 S343T327-A331 HydrophobicContact CG2-CB 3.95Å; T327-L332 HydrophobicContact CG2-CD2 3.93Å; T327-L332 HydrophobicContact CG2-CG 4.36Å; T327-S343 WeakPolarHBondContact CB-O 3.36Å; T327-S343 PolarHBondContact N-O 3.02Å; T327-S343 VanDerWaalsContact OG1-C 3.25Å; T327-S343 PolarHBondContact OG1-O 3.04Å; T327-S343 PolarHBondContact OG1-OG 2.76Å
328P58.9Low64.2Low51 Ų5177 Ų7733%0.33142%0.421SS..PPolyproline II helixtrans-62.9141.6176.223-29.7000110.1Q326 S330 A331Q326-P328 WeakPolarHBondContact O-CD 3.45Å; P328-S330 PolarHBondContact O-N 3.2Å; P328-A331 HydrophobicContact CG-CB 4.16Å; P328-A331 PolarHBondContact O-N 2.98Å
329A52.6Low61.3Low67 Ų6781.8 Ų81.855%0.55445%0.454SS*.G310 helixtrans-58.4-26.2-175.900000113.2L332 F333A329-L332 WeakPolarHBondContact O-CB 3.48Å; A329-L332 PolarHBondContact O-N 3.29Å; A329-F333 WeakPolarHBondContact O-CD2 3.43Å; A329-F333 VanDerWaalsContact O-CE2 3.27Å; A329-F333 WeakPolarHBondContact O-CE2 3.36Å
330S52.5Low58.9Low85 Ų8592 Ų9259%0.59450%0.496SS*.G310 helixtrans-68.1-28.9175.952.20000114.1P328 L332P328-S330 PolarHBondContact O-N 3.2Å; S330-L332 VanDerWaalsContact C-N 3.3Å
331A49.8Very low56.6Low48 Ų4894.6 Ų94.640%0.39752%0.515SS..G310 helixtrans-78.4-16.6177.700000112.7T327 P328 F333T327-A331 HydrophobicContact CG2-CB 3.95Å; P328-A331 HydrophobicContact CG-CB 4.16Å; P328-A331 PolarHBondContact O-N 2.98Å; A331-F333 PolarHBondContact O-N 2.87Å
332L50.6Low54.7Low86 Ų86104.7 Ų104.745%0.4556%0.558SS.*G310 helixtrans-73.9-13.4177.3-60.2175.5000113.1T327 A329 S330 H334 S343T327-L332 HydrophobicContact CG2-CD2 3.93Å; T327-L332 HydrophobicContact CG2-CG 4.36Å; A329-L332 WeakPolarHBondContact O-CB 3.48Å; A329-L332 PolarHBondContact O-N 3.29Å; S330-L332 VanDerWaalsContact C-N 3.3Å; L332-H334 VanDerWaalsContact C-N 3.35Å; L332-S343 WeakPolarHBondContact CD2-OG 3.46Å
333F42Very low53.3Low169 Ų169102.1 Ų102.174%0.74155%0.552SS**G310 helixtrans-81.7-9-179.7-65-74.1000114A329 A331A329-F333 WeakPolarHBondContact O-CD2 3.43Å; A329-F333 VanDerWaalsContact O-CE2 3.27Å; A329-F333 WeakPolarHBondContact O-CE2 3.36Å; A331-F333 PolarHBondContact O-N 2.87Å
334H43.3Very low52.5Low171 Ų171107.8 Ų107.879%0.79258%0.578SS**SBendtrans-103.4-6.5179.4-74-65.5000114.5L332L332-H334 VanDerWaalsContact C-N 3.35Å
335T39.2Very low52.2Low104 Ų104102.6 Ų102.664%0.63856%0.564SS**  trans-103.381.3174.541.70000110M337T335-M337 PolarHBondContact O-N 3.45Å
336D41.8Very low52.7Low143 Ų143104.6 Ų104.677%0.76558%0.576SS**  trans-63.8124.3159.4-87.2-34.5000108.7
337M47.4Very low53.5Low164 Ų164102.3 Ų102.381%0.80857%0.566SS**SBendtrans75.867.3164.7-51.5-62.6103.500118.4T335T335-M337 PolarHBondContact O-N 3.45Å
338S36.5Very low54.8Low105 Ų105102.4 Ų102.473%0.73456%0.562SS**  trans-166.5115.2140-178.20000113.9
339S35.3Very low56.4Low100 Ų100100 Ų10070%0.69955%0.547SS*.  trans51.5133.6150.575.70000121.7S341S339-S341 VanDerWaalsContact C-N 3.33Å; S339-S341 PolarHBondContact O-N 2.87Å
340K39.2Very low58.4Low224 Ų22496.8 Ų96.897%0.97452%0.52SS*.SBendtrans-6374.8177.1-64.9168.2177171.50113.2
341S40.2Very low60.4Low86 Ų8692.8 Ų92.860%0.60149%0.492SS*.  trans-125.5137.8157.878.80000108.7S339 S343S339-S341 VanDerWaalsContact C-N 3.33Å; S339-S341 PolarHBondContact O-N 2.87Å; S341-S343 PolarHBondContact O-N 3.46Å
342K47.9Very low62.6Low212 Ų21290.5 Ų90.592%0.92247%0.473SS*.  trans-62.991.7167.7-70.7176.8178179.90106.3Q344K342-Q344 PolarHBondContact O-N 3.17Å
343S60Low64.7Low46 Ų4686.4 Ų86.432%0.32245%0.452SS..PPolyproline II helixtrans-60.4126.2-170.747.10000109.2T327 L332 S341T327-S343 WeakPolarHBondContact CB-O 3.36Å; T327-S343 PolarHBondContact N-O 3.02Å; T327-S343 VanDerWaalsContact OG1-C 3.25Å; T327-S343 PolarHBondContact OG1-O 3.04Å; T327-S343 PolarHBondContact OG1-OG 2.76Å; L332-S343 WeakPolarHBondContact CD2-OG 3.46Å; S341-S343 PolarHBondContact O-N 3.46Å
344Q68.3Low67.2Low121 Ų12178.3 Ų78.357%0.56542%0.416SS*.EExtended strand (participates in β ladder)trans-88.6140.2169.1-65.8173.5-3.200107C325 K342 V453C325-Q344 WeakPolarHBondContact O-CA 3.31Å; K342-Q344 PolarHBondContact O-N 3.17Å; Q344-V453 HydrophobicContact CG-CG1 4.32Å
345C78Confident69.6Low40 Ų4070.2 Ų70.227%0.2738%0.379SS..EExtended strand (participates in β ladder)trans-103.9141.3172177.50000108.7C325C325-C345 PolarHBondContact N-O 3.32Å; C325-C345 PolarHBondContact O-N 2.68Å
346V86.3Confident72.1Confident50 Ų5067.2 Ų67.230%0.30336%0.357SS..EExtended strand (participates in β ladder)trans-100.3132.4173.1178.70000107.8E322 L323 R348 G368E322-V346 HydrophobicContact CB-CG1 3.98Å; L323-V346 CarbonylContact O-C 3.59Å; L323-V346 WeakPolarHBondContact O-CA 3.12Å; V346-R348 HydrophobicContact CG1-CG 4.44Å; V346-G368 WeakPolarHBondContact O-CA 3.46Å; V346-G368 PolarHBondContact O-N 2.81Å
347M89.1Confident74.4Confident44 Ų4460.8 Ų60.822%0.21733%0.325CS..EExtended strand (participates in β ladder)trans-110.5140.5169.7-62.4-170.383.700109.8E322 L323 L365 Y366 I462E322-M347 CarbonylContact C-O 3.56Å; E322-M347 WeakPolarHBondContact CA-O 3.49Å; L323-M347 PolarHBondContact N-O 3.09Å; L323-M347 PolarHBondContact O-N 2.7Å; M347-L365 HydrophobicContact CB-CB 4.3Å; M347-L365 HydrophobicContact CE-CB 3.64Å; M347-L365 HydrophobicContact CE-CD1 4.42Å; M347-L365 HydrophobicContact SD-CB 4.47Å; M347-L365 HydrophobicContact SD-CD1 4.34Å; M347-Y366 CarbonylContact C-O 3.52Å; M347-Y366 WeakPolarHBondContact CA-O 3.39Å; M347-I462 HydrophobicContact CE-CG2 4.44Å; M347-I462 HydrophobicContact SD-CG2 3.83Å
348R90.9Very high76.5Confident35 Ų3554 Ų5413%0.13230%0.295CS..EExtended strand (participates in β ladder)trans-118.3135.1-178.5-68174.275.8163.68.6110.6S321 E322 V346 L365 Y366 G368 V370 D372 L375S321-R348 CarbonylContact O-C 3.51Å; S321-R348 VanDerWaalsContact O-CA 3.32Å; S321-R348 WeakPolarHBondContact O-CA 3.35Å; E322-R348 HydrophobicContact CG-CG 4.11Å; E322-R348 IonicContact OE1-CZ 2.73Å; E322-R348 IonicContact OE1-NE 3.55Å; V346-R348 HydrophobicContact CG1-CG 4.44Å; R348-L365 CarbonylContact O-C 3.59Å; R348-L365 WeakPolarHBondContact O-CA 3.34Å; R348-Y366 PolarHBondContact N-O 3.33Å; R348-Y366 PolarHBondContact O-N 3.13Å; R348-G368 WeakPolarHBondContact CD-O 3.36Å; R348-G368 PolarHBondContact NH1-O 3Å; R348-V370 PolarHBondContact NH1-O 2.9Å; R348-D372 IonicContact CZ-OD1 3.53Å; R348-D372 VanDerWaalsContact NH2-CG 3.35Å; R348-D372 IonicContact NH2-OD1 3.79Å; R348-D372 PolarHBondContact NH2-OD1 3.21Å; R348-D372 IonicContact NH2-OD2 3.57Å; R348-L375 HydrophobicContact CB-CD2 4.14Å
349G92.7Very high79.3Confident0 Ų049.1 Ų49.10%026%0.261CS..EExtended strand (participates in β ladder)trans-124.3141.4172.900000110.8C320 S321C320-G349 CarbonylContact C-O 3.54Å; C320-G349 WeakPolarHBondContact CA-O 3.36Å; S321-G349 PolarHBondContact N-O 2.92Å; S321-G349 PolarHBondContact O-N 3.49Å
350L94.8Very high82.2Confident0 Ų044.4 Ų44.40%023%0.228CC..EExtended strand (participates in β ladder)trans-89.8137.7173.5-161.875.1000109.8V318 F361 S363 L375 F376 S379 L381 F397V318-L350 HydrophobicContact CG1-CD1 3.35Å; V318-L350 HydrophobicContact CG1-CD2 4.02Å; V318-L350 HydrophobicContact CG1-CG 3.66Å; L350-F361 HydrophobicContact CD2-CE1 4.13Å; L350-S363 WeakPolarHBondContact CB-OG 3.4Å; L350-S363 PolarHBondContact N-OG 3.47Å; L350-S363 PolarHBondContact O-N 3.16Å; L350-L375 HydrophobicContact CB-CD2 4.34Å; L350-L375 HydrophobicContact CB-CG 4.16Å; L350-L375 HydrophobicContact CD1-CD2 4.26Å; L350-L375 HydrophobicContact CD1-CG 4.31Å; L350-F376 HydrophobicContact CD2-CB 4.5Å; L350-F376 HydrophobicContact CD2-CD2 4.14Å; L350-S379 WeakPolarHBondContact CD2-OG 3.46Å; L350-L381 HydrophobicContact CD2-CB 4.48Å; L350-L381 HydrophobicContact CD2-CD2 4.09Å; L350-F397 HydrophobicContact CD1-CE1 3.71Å; L350-F397 HydrophobicContact CD1-CZ 3.86Å
351M95Very high84.9Confident0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-127.7135.5174.5-173.6-170.5-67.600109.9V318 G319 V353 V359 F361 V440 V444 C470V318-M351 WeakPolarHBondContact CA-O 3.47Å; G319-M351 PolarHBondContact N-O 2.92Å; G319-M351 PolarHBondContact O-N 3.19Å; M351-V353 HydrophobicContact CG-CG2 4.12Å; M351-V353 HydrophobicContact SD-CG2 3.91Å; M351-V359 HydrophobicContact CG-CG1 4.21Å; M351-V359 HydrophobicContact SD-CG2 4.08Å; M351-F361 WeakPolarHBondContact CA-O 3.25Å; M351-V440 HydrophobicContact CE-CG1 4.48Å; M351-V440 HydrophobicContact SD-CB 4.31Å; M351-V440 HydrophobicContact SD-CG1 3.51Å; M351-V440 VanDerWaalsContact SD-CG1 3.51Å; M351-V444 HydrophobicContact CE-CB 4.41Å; M351-V444 HydrophobicContact CE-CG2 3.57Å; M351-C470 HydrophobicContact CE-CB 4.04Å; M351-C470 WeakPolarHBondContact CE-SG 3.29Å
352G95.6Very high87.5Confident0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-108.1131.5169.900000110.6T360 F361G352-T360 PolarHBondContact O-N 3.3Å; G352-F361 PolarHBondContact N-O 2.96Å; G352-F361 PolarHBondContact O-N 3.26Å
353V95.6Very high89.7Confident0 Ų021.6 Ų21.60%012%0.121CC..EExtended strand (participates in β ladder)trans-123.7128.1-179.5178.60000109I317 M351 A358 V437 V440I317-V353 PolarHBondContact N-O 3.01Å; I317-V353 PolarHBondContact O-N 2.91Å; M351-V353 HydrophobicContact CG-CG2 4.12Å; M351-V353 HydrophobicContact SD-CG2 3.91Å; V353-A358 CarbonylContact C-O 3.14Å; V353-A358 VanDerWaalsContact CA-O 3.3Å; V353-A358 WeakPolarHBondContact CA-O 3.39Å; V353-V437 HydrophobicContact CB-CB 4.32Å; V353-V437 HydrophobicContact CB-CG2 4.25Å; V353-V437 HydrophobicContact CG2-CB 4.27Å; V353-V437 HydrophobicContact CG2-CG2 3.78Å; V353-V440 HydrophobicContact CG1-CG2 3.85Å; V353-V440 HydrophobicContact CG2-CB 3.94Å; V353-V440 HydrophobicContact CG2-CG1 3.9Å; V353-V440 HydrophobicContact CG2-CG2 4.06Å
354A95Very high91.3Very high0 Ų022.1 Ų22.10%012%0.124CC..  trans-64156.3172.700000111I295 I300 H356 G357 A358 T360I295-A354 HydrophobicContact CD1-CB 4.45Å; I300-A354 HydrophobicContact CD1-CB 3.47Å; I300-A354 VanDerWaalsContact CD1-CB 3.47Å; A354-H356 PolarHBondContact O-N 3.32Å; A354-H356 VanDerWaalsContact O-N 3.13Å; A354-G357 WeakPolarHBondContact O-CA 3.33Å; A354-G357 PolarHBondContact O-N 3.07Å; A354-A358 HydrophobicContact CB-CB 4.48Å; A354-A358 PolarHBondContact N-O 3.25Å; A354-T360 HydrophobicContact CB-CG2 3.75Å
355P93.4Very high92.4Very high0 Ų017.1 Ų17.10%010%0.101CC..THydrogen-bonded Turntrans-51.7-37.9177.3-29.636.4000114.6I300 L304 F308 T314 G357 H436I300-P355 HydrophobicContact CG2-CG 4Å; L304-P355 HydrophobicContact CD1-CB 3.7Å; L304-P355 HydrophobicContact CD1-CG 3.78Å; F308-P355 HydrophobicContact CD1-CB 4.07Å; F308-P355 HydrophobicContact CD1-CG 4.4Å; F308-P355 HydrophobicContact CD2-CB 3.87Å; F308-P355 HydrophobicContact CE1-CB 4.06Å; F308-P355 HydrophobicContact CE1-CG 4.43Å; F308-P355 HydrophobicContact CE2-CB 3.84Å; F308-P355 HydrophobicContact CG-CB 4Å; F308-P355 HydrophobicContact CZ-CB 3.96Å; T314-P355 HydrophobicContact CG2-CG 4.1Å; T314-P355 WeakPolarHBondContact O-CG 3.49Å; P355-G357 PolarHBondContact O-N 2.98Å; P355-H436 PolarHBondContact O-ND1 3.31Å; P355-H436 VanDerWaalsContact O-ND1 3.17Å
356H90.2Very high93Very high41 Ų4117.8 Ų17.819%0.1910%0.098CC..THydrogen-bonded Turntrans-77.84.1176.362.2-105.2000114.3P305 A354 A358P305-H356 HydrophobicContact CG-CB 4.31Å; A354-H356 PolarHBondContact O-N 3.32Å; A354-H356 VanDerWaalsContact O-N 3.13Å; H356-A358 VanDerWaalsContact NE2-CB 3.32Å; H356-A358 WeakPolarHBondContact NE2-CB 3.2Å
357G90.7Very high93Very high8 Ų821.2 Ų21.28%0.08211%0.111CC..SBendtrans94.53.6169.200000117A354 P355A354-G357 WeakPolarHBondContact O-CA 3.33Å; A354-G357 PolarHBondContact O-N 3.07Å; P355-G357 PolarHBondContact O-N 2.98Å
358A92.6Very high92.7Very high23 Ų2320 Ų2019%0.1911%0.11CC..  trans-77139.5174.100000111.4I295 V353 A354 H356 T360I295-A358 HydrophobicContact CD1-CB 4.49Å; V353-A358 CarbonylContact C-O 3.14Å; V353-A358 VanDerWaalsContact CA-O 3.3Å; V353-A358 WeakPolarHBondContact CA-O 3.39Å; A354-A358 HydrophobicContact CB-CB 4.48Å; A354-A358 PolarHBondContact N-O 3.25Å; H356-A358 VanDerWaalsContact NE2-CB 3.32Å; H356-A358 WeakPolarHBondContact NE2-CB 3.2Å; A358-T360 PolarHBondContact O-N 3.48Å
359V95Very high92.5Very high2 Ų222.6 Ų22.61%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-70.8117.5168177.90000108.5M351 V362 V440 V473 N474M351-V359 HydrophobicContact CG-CG1 4.21Å; M351-V359 HydrophobicContact SD-CG2 4.08Å; V359-V362 HydrophobicContact CG1-CG2 3.64Å; V359-V440 HydrophobicContact CG2-CG1 3.43Å; V359-V440 VanDerWaalsContact CG2-CG1 3.43Å; V359-V473 HydrophobicContact CG2-CB 4.41Å; V359-N474 WeakPolarHBondContact CB-OD1 3.46Å; V359-N474 PolarHBondContact N-OD1 3.14Å; V359-N474 PolarHBondContact O-ND2 3.03Å
360T95.6Very high92.3Very high1 Ų123.6 Ų23.61%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-114.6-8.8-178.5570000113.3I293 I295 G352 A354 A358I293-T360 WeakPolarHBondContact O-CA 3.49Å; I293-T360 WeakPolarHBondContact O-CB 3.44Å; I295-T360 HydrophobicContact CB-CG2 4.48Å; I295-T360 HydrophobicContact CD1-CG2 3.58Å; I295-T360 HydrophobicContact CG1-CG2 3.77Å; G352-T360 PolarHBondContact O-N 3.3Å; A354-T360 HydrophobicContact CB-CG2 3.75Å; A358-T360 PolarHBondContact O-N 3.48Å
361F95.9Very high92.1Very high13 Ų1326.7 Ų26.76%0.05716%0.161CC..EExtended strand (participates in β ladder)trans-153.7141.2177.4-177.8-91000111.9W294 L350 M351 G352 S379 L381W294-F361 HydrophobicContact CZ3-CB 4.39Å; L350-F361 HydrophobicContact CD2-CE1 4.13Å; M351-F361 WeakPolarHBondContact CA-O 3.25Å; G352-F361 PolarHBondContact N-O 2.96Å; G352-F361 PolarHBondContact O-N 3.26Å; F361-S379 WeakPolarHBondContact CZ-O 3.34Å; F361-L381 HydrophobicContact CB-CD1 4.24Å; F361-L381 HydrophobicContact CD1-CB 4.33Å; F361-L381 HydrophobicContact CD1-CD1 4.22Å; F361-L381 HydrophobicContact CD1-CD2 4.24Å; F361-L381 HydrophobicContact CD2-CB 4.49Å; F361-L381 HydrophobicContact CD2-CD1 3.85Å; F361-L381 HydrophobicContact CE1-CB 3.91Å; F361-L381 HydrophobicContact CE1-CD2 4.47Å; F361-L381 HydrophobicContact CE2-CB 4.06Å; F361-L381 HydrophobicContact CE2-CD1 4.23Å; F361-L381 HydrophobicContact CG-CD1 3.84Å; F361-L381 HydrophobicContact CZ-CB 3.76Å
362V95.3Very high91.9Very high26 Ų2628.2 Ų28.216%0.15817%0.169CC..EExtended strand (participates in β ladder)trans-141.4127173.4-172.10000108.1V359 F466 T467 C470 L471V359-V362 HydrophobicContact CG1-CG2 3.64Å; V362-F466 HydrophobicContact CG1-CD1 4.35Å; V362-F466 HydrophobicContact CG1-CE1 3.99Å; V362-T467 HydrophobicContact CG1-CG2 4.41Å; V362-C470 HydrophobicContact CB-CB 4.44Å; V362-C470 HydrophobicContact CG1-CB 3.95Å; V362-C470 HydrophobicContact CG2-CB 3.55Å; V362-L471 HydrophobicContact CG2-CD2 4.05Å; V362-L471 HydrophobicContact CG2-CG 4.49Å
363S94.5Very high91.7Very high4 Ų429.4 Ų29.43%0.02818%0.177CC..PPolyproline II helixtrans-86.7166174.8780000112.1L350L350-S363 WeakPolarHBondContact CB-OG 3.4Å; L350-S363 PolarHBondContact N-OG 3.47Å; L350-S363 PolarHBondContact O-N 3.16Å
364S92.4Very high91.5Very high56 Ų5632.6 Ų32.639%0.39219%0.192SC..PPolyproline II helixtrans-58.4160.6158.1-650000111.3Y366 N463S364-Y366 WeakPolarHBondContact O-CD2 3.31Å; S364-Y366 WeakPolarHBondContact O-CE2 3.41Å; S364-N463 WeakPolarHBondContact CA-OD1 3.35Å
365L91.6Very high91.4Very high17 Ų1732.6 Ų32.69%0.08919%0.192CC..PPolyproline II helixtrans-82.4137.1173.1-66.9171.9000111.1L323 M347 R348 I462 N463 F466L323-L365 HydrophobicContact CD1-CD1 3.75Å; L323-L365 HydrophobicContact CD1-CD2 3.97Å; M347-L365 HydrophobicContact CB-CB 4.3Å; M347-L365 HydrophobicContact CE-CB 3.64Å; M347-L365 HydrophobicContact CE-CD1 4.42Å; M347-L365 HydrophobicContact SD-CB 4.47Å; M347-L365 HydrophobicContact SD-CD1 4.34Å; R348-L365 CarbonylContact O-C 3.59Å; R348-L365 WeakPolarHBondContact O-CA 3.34Å; L365-I462 HydrophobicContact CD1-CB 4.49Å; L365-I462 HydrophobicContact CD1-CG1 3.94Å; L365-I462 HydrophobicContact CD1-CG2 4.04Å; L365-N463 PolarHBondContact N-OD1 3.12Å; L365-F466 HydrophobicContact CD1-CB 3.91Å; L365-F466 HydrophobicContact CD1-CD1 4.42Å; L365-F466 HydrophobicContact CD1-CG 4.25Å; L365-F466 HydrophobicContact CD2-CB 4.46Å; L365-F466 HydrophobicContact CD2-CD1 3.58Å; L365-F466 HydrophobicContact CD2-CD2 4.41Å; L365-F466 HydrophobicContact CD2-CE1 3.83Å; L365-F466 HydrophobicContact CD2-CG 3.88Å; L365-F466 HydrophobicContact CD2-CZ 4.34Å; L365-F466 HydrophobicContact CG-CB 4.34Å; L365-F466 HydrophobicContact CG-CD1 3.92Å; L365-F466 HydrophobicContact CG-CG 4.23Å
366Y90.1Very high91.5Very high53 Ų5332.6 Ų32.621%0.20819%0.192CC..EExtended strand (participates in β ladder)trans-120.5167177.6-61.3-97.1000110.5M347 R348 S364 L375 R378M347-Y366 CarbonylContact C-O 3.52Å; M347-Y366 WeakPolarHBondContact CA-O 3.39Å; R348-Y366 PolarHBondContact N-O 3.33Å; R348-Y366 PolarHBondContact O-N 3.13Å; S364-Y366 WeakPolarHBondContact O-CD2 3.31Å; S364-Y366 WeakPolarHBondContact O-CE2 3.41Å; Y366-L375 HydrophobicContact CD2-CD1 3.13Å; Y366-L375 HydrophobicContact CE2-CD1 3.66Å; Y366-L375 HydrophobicContact CG-CD1 3.8Å; Y366-R378 HydrophobicContact CE1-CB 3.81Å; Y366-R378 PolarHBondContact OH-O 3.03Å
367E86.3Confident91.6Very high122 Ų12234 Ų3457%0.5720%0.2SC*.EExtended strand (participates in β ladder)trans-63143.8174.5-163-170.413800111.3S369 V370E367-S369 PolarHBondContact O-N 3.13Å; E367-S369 VanDerWaalsContact O-N 3.11Å; E367-S369 PolarHBondContact OE1-OG 3Å; E367-V370 WeakPolarHBondContact O-CB 3.17Å; E367-V370 WeakPolarHBondContact O-CG2 3.39Å; E367-V370 PolarHBondContact O-N 3.44Å
368G84Confident91.7Very high20 Ų2040.4 Ų40.421%0.20622%0.222CC..THydrogen-bonded Turntrans-62.9-19.4-175.600000115.1V346 R348 V370V346-G368 WeakPolarHBondContact O-CA 3.46Å; V346-G368 PolarHBondContact O-N 2.81Å; R348-G368 WeakPolarHBondContact CD-O 3.36Å; R348-G368 PolarHBondContact NH1-O 3Å; G368-V370 PolarHBondContact O-N 3.39Å
369S86.4Confident91.8Very high89 Ų8940.2 Ų40.262%0.62222%0.219SC*.THydrogen-bonded Turntrans-70.3-15.9175.354.70000113.6E367E367-S369 PolarHBondContact O-N 3.13Å; E367-S369 VanDerWaalsContact O-N 3.11Å; E367-S369 PolarHBondContact OE1-OG 3Å
370V88.3Confident91.7Very high21 Ų2141.1 Ų41.113%0.12723%0.229CC..SBendtrans-69.7132177.7-178.60000110.2R348 E367 G368 E374 L375R348-V370 PolarHBondContact NH1-O 2.9Å; E367-V370 WeakPolarHBondContact O-CB 3.17Å; E367-V370 WeakPolarHBondContact O-CG2 3.39Å; E367-V370 PolarHBondContact O-N 3.44Å; G368-V370 PolarHBondContact O-N 3.39Å; V370-E374 HydrophobicContact CG1-CB 3.77Å; V370-E374 HydrophobicContact CG1-CG 3.76Å; V370-L375 HydrophobicContact CG1-CB 4.05Å
371S90.8Very high91.6Very high64 Ų6441 Ų4145%0.44823%0.229SC..  trans-70.9158.3177.570.80000111.7T373 E374 L375S371-T373 VanDerWaalsContact C-N 3.29Å; S371-T373 PolarHBondContact O-N 3.17Å; S371-E374 PolarHBondContact O-N 3.22Å; S371-E374 WeakPolarHBondContact OG-CB 3.25Å; S371-E374 PolarHBondContact OG-N 3.16Å; S371-L375 VanDerWaalsContact O-CB 3.27Å; S371-L375 WeakPolarHBondContact O-CB 3.45Å; S371-L375 PolarHBondContact O-N 2.98Å
372D91.3Very high91.5Very high32 Ų3241.6 Ų41.617%0.17124%0.236CC..Hα-helixtrans-59.6-39.2178.3-72.9-38.8000112.5C320 R348 F376 F397C320-D372 PolarHBondContact SG-OD1 3.14Å; R348-D372 IonicContact CZ-OD1 3.53Å; R348-D372 VanDerWaalsContact NH2-CG 3.35Å; R348-D372 IonicContact NH2-OD1 3.79Å; R348-D372 PolarHBondContact NH2-OD1 3.21Å; R348-D372 IonicContact NH2-OD2 3.57Å; D372-F376 WeakPolarHBondContact O-CB 3.16Å; D372-F376 PolarHBondContact O-N 3.36Å; D372-F397 HydrophobicContact CB-CD1 3.79Å; D372-F397 HydrophobicContact CB-CD2 4.01Å; D372-F397 HydrophobicContact CB-CE1 3.71Å; D372-F397 HydrophobicContact CB-CE2 3.95Å; D372-F397 HydrophobicContact CB-CG 3.96Å; D372-F397 HydrophobicContact CB-CZ 3.82Å; D372-F397 WeakPolarHBondContact O-CD1 3.41Å; D372-F397 WeakPolarHBondContact O-CE1 3.5Å
373T90.4Very high91.3Very high26 Ų2647.4 Ų47.416%0.1627%0.266CS..Hα-helixtrans-62.8-47.8174.9-58.40000111.9S371 L375 F376 L377 L398 I399S371-T373 VanDerWaalsContact C-N 3.29Å; S371-T373 PolarHBondContact O-N 3.17Å; T373-L375 VanDerWaalsContact C-N 3.34Å; T373-F376 WeakPolarHBondContact O-CB 3.15Å; T373-F376 PolarHBondContact O-N 2.73Å; T373-L377 HydrophobicContact CG2-CD1 4.47Å; T373-L377 WeakPolarHBondContact O-CG 3.29Å; T373-L377 PolarHBondContact O-N 3.02Å; T373-L398 WeakPolarHBondContact CG2-O 3.35Å; T373-L398 PolarHBondContact OG1-N 2.98Å; T373-I399 HydrophobicContact CG2-CG2 4.05Å
374E92Very high91.2Very high67 Ų6753 Ų5331%0.31329%0.286SS..Hα-helixtrans-67.1-39.4-179.7-176.966.1-173.300111.1V370 S371 F376 L377 R378V370-E374 HydrophobicContact CG1-CB 3.77Å; V370-E374 HydrophobicContact CG1-CG 3.76Å; S371-E374 PolarHBondContact O-N 3.22Å; S371-E374 WeakPolarHBondContact OG-CB 3.25Å; S371-E374 PolarHBondContact OG-N 3.16Å; E374-F376 VanDerWaalsContact C-N 3.33Å; E374-F376 PolarHBondContact O-N 3.32Å; E374-L377 PolarHBondContact O-N 2.95Å; E374-R378 HydrophobicContact CG-CG 4.38Å; E374-R378 WeakPolarHBondContact O-CB 3.29Å; E374-R378 WeakPolarHBondContact O-CG 3.25Å; E374-R378 PolarHBondContact O-N 3.14Å; E374-R378 IonicContact OE1-CZ 3.26Å; E374-R378 IonicContact OE1-NE 3.92Å; E374-R378 PolarHBondContact OE1-NE 3.44Å; E374-R378 IonicContact OE1-NH2 3.7Å; E374-R378 PolarHBondContact OE1-NH2 2.99Å
375L93.1Very high91.2Very high0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-60.7-43.9174.9178.460.9000111.1C320 R348 L350 Y366 V370 S371 T373 S379C320-L375 VanDerWaalsContact SG-CD2 3.56Å; R348-L375 HydrophobicContact CB-CD2 4.14Å; L350-L375 HydrophobicContact CB-CD2 4.34Å; L350-L375 HydrophobicContact CB-CG 4.16Å; L350-L375 HydrophobicContact CD1-CD2 4.26Å; L350-L375 HydrophobicContact CD1-CG 4.31Å; Y366-L375 HydrophobicContact CD2-CD1 3.13Å; Y366-L375 HydrophobicContact CE2-CD1 3.66Å; Y366-L375 HydrophobicContact CG-CD1 3.8Å; V370-L375 HydrophobicContact CG1-CB 4.05Å; S371-L375 VanDerWaalsContact O-CB 3.27Å; S371-L375 WeakPolarHBondContact O-CB 3.45Å; S371-L375 PolarHBondContact O-N 2.98Å; T373-L375 VanDerWaalsContact C-N 3.34Å; L375-S379 VanDerWaalsContact O-CB 3.3Å; L375-S379 WeakPolarHBondContact O-CB 3.32Å; L375-S379 PolarHBondContact O-N 3.19Å
376F94.6Very high91.3Very high0 Ų053.4 Ų53.40%029%0.286CS..Hα-helixtrans-58.1-49.4175.1-177.7-84.4000111.6V318 L350 D372 T373 E374 S379 L381 A382 L385 V391 F397 I399 V403V318-F376 HydrophobicContact CG1-CD2 4.43Å; V318-F376 HydrophobicContact CG2-CE2 4.33Å; L350-F376 HydrophobicContact CD2-CB 4.5Å; L350-F376 HydrophobicContact CD2-CD2 4.14Å; D372-F376 WeakPolarHBondContact O-CB 3.16Å; D372-F376 PolarHBondContact O-N 3.36Å; T373-F376 WeakPolarHBondContact O-CB 3.15Å; T373-F376 PolarHBondContact O-N 2.73Å; E374-F376 VanDerWaalsContact C-N 3.33Å; E374-F376 PolarHBondContact O-N 3.32Å; F376-S379 PolarHBondContact O-N 3.32Å; F376-S379 PolarHBondContact O-OG 2.94Å; F376-L381 HydrophobicContact CD2-CD2 4.19Å; F376-L381 HydrophobicContact CE2-CB 4.44Å; F376-L381 HydrophobicContact CE2-CD2 3.62Å; F376-L381 HydrophobicContact CE2-CG 4.09Å; F376-L381 HydrophobicContact CZ-CD2 4.31Å; F376-L381 HydrophobicContact CZ-CG 4.28Å; F376-A382 HydrophobicContact CE1-CB 3.89Å; F376-L385 HydrophobicContact CZ-CD1 3.81Å; F376-V391 HydrophobicContact CE2-CG2 4.27Å; F376-F397 HydrophobicContact CB-CD1 4.14Å; F376-F397 HydrophobicContact CB-CE1 4.24Å; F376-F397 HydrophobicContact CD2-CD1 4.45Å; F376-I399 HydrophobicContact CB-CG2 4.12Å; F376-I399 HydrophobicContact CD1-CB 4.45Å; F376-I399 HydrophobicContact CD1-CD1 4.26Å; F376-I399 HydrophobicContact CD1-CG2 3.82Å; F376-I399 HydrophobicContact CD2-CD1 4.09Å; F376-I399 HydrophobicContact CE1-CD1 3.97Å; F376-I399 HydrophobicContact CE1-CG2 4.44Å; F376-I399 HydrophobicContact CE2-CD1 3.76Å; F376-I399 HydrophobicContact CG-CD1 4.33Å; F376-I399 HydrophobicContact CG-CG2 3.94Å; F376-I399 HydrophobicContact CZ-CD1 3.7Å; F376-V403 HydrophobicContact CE1-CG1 3.54Å; F376-V403 HydrophobicContact CZ-CG1 4.06Å
377L92.8Very high91.3Very high70 Ų7057.8 Ų57.837%0.36631%0.309SS..Hα-helixtrans-63.4-46.9179.9-71.4176.9000112.4T373 E374 S379 G380 C402T373-L377 HydrophobicContact CG2-CD1 4.47Å; T373-L377 WeakPolarHBondContact O-CG 3.29Å; T373-L377 PolarHBondContact O-N 3.02Å; E374-L377 PolarHBondContact O-N 2.95Å; L377-S379 PolarHBondContact O-N 3.29Å; L377-G380 PolarHBondContact O-N 3.36Å; L377-C402 HydrophobicContact CD2-CB 4.06Å
378R93.5Very high91.6Very high142 Ų14256.3 Ų56.354%0.53631%0.305SS..Hα-helixtrans-69-22.6-179.5-70.8-170.3-174.7-165.66.3113.9Y366 E374 G380Y366-R378 HydrophobicContact CE1-CB 3.81Å; Y366-R378 PolarHBondContact OH-O 3.03Å; E374-R378 HydrophobicContact CG-CG 4.38Å; E374-R378 WeakPolarHBondContact O-CB 3.29Å; E374-R378 WeakPolarHBondContact O-CG 3.25Å; E374-R378 PolarHBondContact O-N 3.14Å; E374-R378 IonicContact OE1-CZ 3.26Å; E374-R378 IonicContact OE1-NE 3.92Å; E374-R378 PolarHBondContact OE1-NE 3.44Å; E374-R378 IonicContact OE1-NH2 3.7Å; E374-R378 PolarHBondContact OE1-NH2 2.99Å; R378-G380 PolarHBondContact O-N 3.17Å
379S93.6Very high92.1Very high19 Ų1956.2 Ų56.213%0.13330%0.299CS..THydrogen-bonded Turntrans-66.6-24-178.473.70000113.4L350 F361 L375 F376 L377 L381L350-S379 WeakPolarHBondContact CD2-OG 3.46Å; F361-S379 WeakPolarHBondContact CZ-O 3.34Å; L375-S379 VanDerWaalsContact O-CB 3.3Å; L375-S379 WeakPolarHBondContact O-CB 3.32Å; L375-S379 PolarHBondContact O-N 3.19Å; F376-S379 PolarHBondContact O-N 3.32Å; F376-S379 PolarHBondContact O-OG 2.94Å; L377-S379 PolarHBondContact O-N 3.29Å; S379-L381 VanDerWaalsContact C-N 3.31Å; S379-L381 WeakPolarHBondContact OG-CB 3.41Å; S379-L381 PolarHBondContact OG-N 3.24Å; S379-L381 VanDerWaalsContact OG-N 3.15Å
380G92.8Very high92.5Very high21 Ų2152 Ų5222%0.21627%0.269CS..THydrogen-bonded Turntrans78.310.7-171.100000114L377 R378 A382L377-G380 PolarHBondContact O-N 3.36Å; R378-G380 PolarHBondContact O-N 3.17Å; G380-A382 VanDerWaalsContact C-N 3.33Å
381L94.2Very high92.9Very high0 Ų051 Ų510%026%0.263CS..  trans-67.3-34.8174-179.256.5000112W294 V318 L350 F361 F376 S379 D383 R384 L385W294-L381 HydrophobicContact CH2-CD1 3.8Å; W294-L381 HydrophobicContact CZ3-CD1 3.58Å; V318-L381 HydrophobicContact CG2-CD2 3.66Å; L350-L381 HydrophobicContact CD2-CB 4.48Å; L350-L381 HydrophobicContact CD2-CD2 4.09Å; F361-L381 HydrophobicContact CB-CD1 4.24Å; F361-L381 HydrophobicContact CD1-CB 4.33Å; F361-L381 HydrophobicContact CD1-CD1 4.22Å; F361-L381 HydrophobicContact CD1-CD2 4.24Å; F361-L381 HydrophobicContact CD2-CB 4.49Å; F361-L381 HydrophobicContact CD2-CD1 3.85Å; F361-L381 HydrophobicContact CE1-CB 3.91Å; F361-L381 HydrophobicContact CE1-CD2 4.47Å; F361-L381 HydrophobicContact CE2-CB 4.06Å; F361-L381 HydrophobicContact CE2-CD1 4.23Å; F361-L381 HydrophobicContact CG-CD1 3.84Å; F361-L381 HydrophobicContact CZ-CB 3.76Å; F376-L381 HydrophobicContact CD2-CD2 4.19Å; F376-L381 HydrophobicContact CE2-CB 4.44Å; F376-L381 HydrophobicContact CE2-CD2 3.62Å; F376-L381 HydrophobicContact CE2-CG 4.09Å; F376-L381 HydrophobicContact CZ-CD2 4.31Å; F376-L381 HydrophobicContact CZ-CG 4.28Å; S379-L381 VanDerWaalsContact C-N 3.31Å; S379-L381 WeakPolarHBondContact OG-CB 3.41Å; S379-L381 PolarHBondContact OG-N 3.24Å; S379-L381 VanDerWaalsContact OG-N 3.15Å; L381-D383 PolarHBondContact O-N 3.47Å; L381-R384 PolarHBondContact O-N 2.84Å; L381-R384 VanDerWaalsContact O-N 3.09Å; L381-L385 HydrophobicContact CG-CD1 4.45Å
382A93Very high93Very high25 Ų2547.9 Ų47.921%0.20724%0.242CC..G310 helixtrans-56.2-38179.500000112.4F376 G380 R384 L385 V403F376-A382 HydrophobicContact CE1-CB 3.89Å; G380-A382 VanDerWaalsContact C-N 3.33Å; A382-R384 PolarHBondContact O-N 3.47Å; A382-L385 PolarHBondContact O-N 3.07Å; A382-V403 HydrophobicContact CB-CG1 4.32Å
383D92.1Very high93.1Very high147 Ų14746.4 Ų46.479%0.78623%0.234SC*.G310 helixtrans-68.4-16-177.9-57.3-35.5000113.3L381L381-D383 PolarHBondContact O-N 3.47Å
384R91.9Very high92.8Very high121 Ų12147.9 Ų47.946%0.45724%0.241SC..G310 helixtrans-94.7-9.2179.8-59-179.5-179.5-111.50.3113.3W294 L381 A382W294-R384 HydrophobicContact CD2-CB 4.36Å; W294-R384 HydrophobicContact CH2-CB 4.32Å; W294-R384 HydrophobicContact CZ2-CB 3.92Å; L381-R384 PolarHBondContact O-N 2.84Å; L381-R384 VanDerWaalsContact O-N 3.09Å; A382-R384 PolarHBondContact O-N 3.47Å
385L93.1Very high92.3Very high18 Ų1848.4 Ų48.49%0.09424%0.242CC..  trans-97.3124.6-175.2-66.3169000110.7W294 Q315 V316 F376 L381 A382 M389 V391 C405W294-L385 HydrophobicContact CH2-CD2 4Å; W294-L385 HydrophobicContact CZ2-CD2 4.2Å; Q315-L385 HydrophobicContact CG-CD2 4.38Å; V316-L385 HydrophobicContact CG1-CD2 4.11Å; F376-L385 HydrophobicContact CZ-CD1 3.81Å; L381-L385 HydrophobicContact CG-CD1 4.45Å; A382-L385 PolarHBondContact O-N 3.07Å; L385-M389 HydrophobicContact CD2-SD 4.28Å; L385-V391 HydrophobicContact CD1-CB 4.11Å; L385-V391 HydrophobicContact CD1-CG1 4.34Å; L385-V391 HydrophobicContact CD1-CG2 4.48Å; L385-C405 HydrophobicContact CB-CB 4.14Å
386T92.1Very high91.7Very high64 Ų6450.1 Ų50.139%0.39326%0.26SS..  trans-99167.8176.852.30000111.6D388 M389 C405T386-D388 WeakPolarHBondContact CB-OD1 3.27Å; T386-D388 PolarHBondContact O-N 3.09Å; T386-D388 PolarHBondContact OG1-OD1 3.23Å; T386-M389 HydrophobicContact CG2-CE 4.48Å; T386-M389 PolarHBondContact O-N 3.12Å; T386-M389 VanDerWaalsContact O-N 3.14Å; T386-M389 VanDerWaalsContact OG1-CE 3.26Å; T386-M389 WeakPolarHBondContact OG1-CE 3.42Å; T386-M389 WeakPolarHBondContact OG1-CG 3.27Å; T386-M389 PolarHBondContact OG1-SD 2.95Å; T386-C405 WeakPolarHBondContact O-CB 3.32Å
387E91.9Very high91.3Very high146 Ų14650.5 Ų50.568%0.68226%0.262SS*.THydrogen-bonded Turntrans-64.5-24.5-175.7-71.9175.1-16700113.7K404E387-K404 HydrophobicContact CG-CB 3.8Å; E387-K404 HydrophobicContact CG-CD 4.44Å
388D91.8Very high91Very high90 Ų9052.2 Ų52.248%0.48127%0.271SS..THydrogen-bonded Turntrans-85.5-5.8177.567.1-49.1000113.8T386T386-D388 WeakPolarHBondContact CB-OD1 3.27Å; T386-D388 PolarHBondContact O-N 3.09Å; T386-D388 PolarHBondContact OG1-OD1 3.23Å
389M94.8Very high90.7Very high18 Ų1845.5 Ų45.59%0.08925%0.245CC..  trans-95161.7177.7-66.3174.1-174.100111.7W294 A297 Q315 L385 T386 C405 K406W294-M389 HydrophobicContact CZ2-SD 4.41Å; A297-M389 HydrophobicContact CB-CE 3.96Å; A297-M389 HydrophobicContact CB-CG 4.49Å; Q315-M389 HydrophobicContact CB-CB 3.93Å; Q315-M389 HydrophobicContact CB-CG 4.05Å; Q315-M389 HydrophobicContact CB-SD 4.22Å; Q315-M389 HydrophobicContact CG-CB 4.47Å; Q315-M389 HydrophobicContact CG-CG 4.17Å; Q315-M389 HydrophobicContact CG-SD 3.73Å; L385-M389 HydrophobicContact CD2-SD 4.28Å; T386-M389 HydrophobicContact CG2-CE 4.48Å; T386-M389 PolarHBondContact O-N 3.12Å; T386-M389 VanDerWaalsContact O-N 3.14Å; T386-M389 VanDerWaalsContact OG1-CE 3.26Å; T386-M389 WeakPolarHBondContact OG1-CE 3.42Å; T386-M389 WeakPolarHBondContact OG1-CG 3.27Å; T386-M389 PolarHBondContact OG1-SD 2.95Å; M389-C405 VanDerWaalsContact O-CB 3.3Å; M389-C405 WeakPolarHBondContact O-CB 3.46Å; M389-K406 PolarHBondContact O-N 3.22Å; M389-K406 VanDerWaalsContact O-N 3.08Å
390A94.8Very high90.4Very high0 Ų048.6 Ų48.60%027%0.267CS..EExtended strand (participates in β ladder)trans-126.5142.5167.100000112.1D313 Q315 K406 Y408D313-A390 HydrophobicContact CB-CB 4.17Å; D313-A390 WeakPolarHBondContact O-CB 3.44Å; D313-A390 PolarHBondContact O-N 2.87Å; Q315-A390 PolarHBondContact N-O 3.26Å; A390-K406 CarbonylContact C-O 3.21Å; A390-K406 VanDerWaalsContact CA-O 3.23Å; A390-K406 WeakPolarHBondContact CA-O 3.35Å; A390-K406 HydrophobicContact CB-CB 3.84Å; A390-K406 HydrophobicContact CB-CD 4.36Å; A390-K406 HydrophobicContact CB-CG 4.42Å; A390-Y408 HydrophobicContact CB-CD2 3.71Å; A390-Y408 HydrophobicContact CB-CE2 3.34Å
391V95.3Very high90Very high0 Ų051.5 Ų51.50%030%0.298CS..EExtended strand (participates in β ladder)trans-109.6133.4172.3640000110V316 V318 F376 L385 V393 I399 K406 V407 Y408V316-V391 HydrophobicContact CG1-CB 4.3Å; V316-V391 HydrophobicContact CG1-CG2 3.78Å; V316-V391 WeakPolarHBondContact O-CA 3.25Å; V318-V391 HydrophobicContact CG2-CG2 3.59Å; F376-V391 HydrophobicContact CE2-CG2 4.27Å; L385-V391 HydrophobicContact CD1-CB 4.11Å; L385-V391 HydrophobicContact CD1-CG1 4.34Å; L385-V391 HydrophobicContact CD1-CG2 4.48Å; V391-V393 HydrophobicContact CG1-CG1 4.42Å; V391-V393 HydrophobicContact CG2-CG1 3.79Å; V391-I399 HydrophobicContact CG1-CD1 3.85Å; V391-K406 PolarHBondContact N-O 3.47Å; V391-V407 HydrophobicContact CG1-CB 4.42Å; V391-V407 HydrophobicContact CG1-CG1 4.38Å; V391-V407 HydrophobicContact CG1-CG2 3.9Å; V391-V407 WeakPolarHBondContact O-CA 3.27Å; V391-Y408 PolarHBondContact O-N 2.76Å
392M94.7Very high89.5Confident0 Ų054.7 Ų54.70%032%0.319CS..EExtended strand (participates in β ladder)trans-104.4125.4176.1-172.4177.4-66.100110.3F308 F311 T314 V316 I317 V318 Y408 V430 L433F308-M392 HydrophobicContact CD1-CE 4.47Å; F308-M392 HydrophobicContact CE1-CE 4.19Å; F311-M392 HydrophobicContact CB-CE 4.32Å; F311-M392 HydrophobicContact CD1-CE 4.27Å; F311-M392 HydrophobicContact CD2-CE 4.32Å; F311-M392 HydrophobicContact CG-CE 4.05Å; T314-M392 HydrophobicContact CG2-CB 4.2Å; T314-M392 HydrophobicContact CG2-CE 4.39Å; V316-M392 PolarHBondContact O-N 2.94Å; I317-M392 CarbonylContact C-O 3.58Å; I317-M392 WeakPolarHBondContact CA-O 3.44Å; I317-M392 HydrophobicContact CB-CB 4.49Å; I317-M392 HydrophobicContact CG1-CB 4.3Å; I317-M392 HydrophobicContact CG2-CB 4.26Å; I317-M392 HydrophobicContact CG2-CG 4.37Å; I317-M392 HydrophobicContact CG2-SD 4.46Å; V318-M392 PolarHBondContact N-O 3.44Å; M392-Y408 WeakPolarHBondContact CA-O 3.44Å; M392-Y408 HydrophobicContact CE-CD2 4.43Å; M392-V430 HydrophobicContact CG-CG1 3.96Å; M392-V430 HydrophobicContact SD-CG1 4.09Å; M392-L433 HydrophobicContact CE-CB 4.2Å; M392-L433 HydrophobicContact CE-CD1 3.9Å; M392-L433 HydrophobicContact SD-CB 3.75Å
393V91.9Very high89.3Confident0 Ų054.5 Ų54.50%032%0.315CS..  trans-135.1168.9-170.1-58.70000113V318 V391 F397 I399 V407 Y408 C409 P410V318-V393 HydrophobicContact CB-CG1 4.2Å; V318-V393 HydrophobicContact CG2-CG1 4.49Å; V391-V393 HydrophobicContact CG1-CG1 4.42Å; V391-V393 HydrophobicContact CG2-CG1 3.79Å; V393-F397 HydrophobicContact CB-CB 3.67Å; V393-F397 HydrophobicContact CB-CD2 3.99Å; V393-F397 HydrophobicContact CB-CG 3.88Å; V393-F397 HydrophobicContact CG1-CB 4.22Å; V393-F397 HydrophobicContact CG1-CG 4.32Å; V393-F397 HydrophobicContact CG2-CB 3.67Å; V393-F397 HydrophobicContact CG2-CG 4.43Å; V393-I399 HydrophobicContact CG1-CD1 3.76Å; V393-V407 HydrophobicContact CG2-CG1 3.73Å; V393-Y408 PolarHBondContact N-O 3.21Å; V393-C409 HydrophobicContact CG2-CB 3.82Å; V393-P410 WeakPolarHBondContact O-CD 3.23Å
394D85.1Confident89Confident58 Ų5855.5 Ų55.531%0.3131%0.312SS..  trans-76.4165169.4-143.9-24.7000112.4G396 F397 C409 R434D394-G396 PolarHBondContact O-N 2.86Å; D394-G396 VanDerWaalsContact O-N 3.09Å; D394-F397 HydrophobicContact CB-CD2 3.78Å; D394-F397 HydrophobicContact CB-CE2 4Å; D394-F397 PolarHBondContact O-N 2.87Å; D394-C409 PolarHBondContact O-SG 2.81Å; D394-C409 VanDerWaalsContact O-SG 3.36Å; D394-R434 IonicContact OD1-CZ 2.61Å; D394-R434 IonicContact OD1-NE 3.77Å; D394-R434 IonicContact OD1-NH1 2.65Å; D394-R434 IonicContact OD1-NH2 3.55Å; D394-R434 IonicContact OD2-CZ 3.15Å; D394-R434 IonicContact OD2-NH1 3.57Å; D394-R434 PolarHBondContact OD2-NH1 3.31Å; D394-R434 IonicContact OD2-NH2 3.22Å; D394-R434 PolarHBondContact OD2-NH2 3.5Å
395K80.4Confident89Confident77 Ų7750.1 Ų50.134%0.33529%0.294SS..THydrogen-bonded Turntrans-52.1-29.1170-66-175.9177.1-179.60113.4F397 P410 P411 F412K395-F397 PolarHBondContact O-N 3.27Å; K395-P410 HydrophobicContact CD-CB 4.36Å; K395-P410 HydrophobicContact CG-CB 3.83Å; K395-P410 HydrophobicContact CG-CG 4.09Å; K395-P411 WeakPolarHBondContact CE-O 3.41Å; K395-F412 WeakPolarHBondContact O-CZ 3.48Å
396G81.6Confident89Confident37 Ų3754.3 Ų54.338%0.38131%0.311SS..THydrogen-bonded Turntrans-68.7-17.6178.400000114.6D394 L398D394-G396 PolarHBondContact O-N 2.86Å; D394-G396 VanDerWaalsContact O-N 3.09Å; G396-L398 PolarHBondContact O-N 3.29Å
397F85.1Confident89Confident7 Ų752.6 Ų52.63%0.03130%0.3CS..  trans-93.795.6-176.2-68.3-95.7000111.4V318 C320 L350 D372 F376 V393 D394 K395 I399V318-F397 HydrophobicContact CG1-CE1 4.15Å; V318-F397 HydrophobicContact CG1-CZ 4.12Å; C320-F397 WeakPolarHBondContact SG-CZ 3.28Å; L350-F397 HydrophobicContact CD1-CE1 3.71Å; L350-F397 HydrophobicContact CD1-CZ 3.86Å; D372-F397 HydrophobicContact CB-CD1 3.79Å; D372-F397 HydrophobicContact CB-CD2 4.01Å; D372-F397 HydrophobicContact CB-CE1 3.71Å; D372-F397 HydrophobicContact CB-CE2 3.95Å; D372-F397 HydrophobicContact CB-CG 3.96Å; D372-F397 HydrophobicContact CB-CZ 3.82Å; D372-F397 WeakPolarHBondContact O-CD1 3.41Å; D372-F397 WeakPolarHBondContact O-CE1 3.5Å; F376-F397 HydrophobicContact CB-CD1 4.14Å; F376-F397 HydrophobicContact CB-CE1 4.24Å; F376-F397 HydrophobicContact CD2-CD1 4.45Å; V393-F397 HydrophobicContact CB-CB 3.67Å; V393-F397 HydrophobicContact CB-CD2 3.99Å; V393-F397 HydrophobicContact CB-CG 3.88Å; V393-F397 HydrophobicContact CG1-CB 4.22Å; V393-F397 HydrophobicContact CG1-CG 4.32Å; V393-F397 HydrophobicContact CG2-CB 3.67Å; V393-F397 HydrophobicContact CG2-CG 4.43Å; D394-F397 HydrophobicContact CB-CD2 3.78Å; D394-F397 HydrophobicContact CB-CE2 4Å; D394-F397 PolarHBondContact O-N 2.87Å; K395-F397 PolarHBondContact O-N 3.27Å; F397-I399 VanDerWaalsContact C-N 3.25Å; F397-I399 HydrophobicContact CB-CG1 4.43Å; F397-I399 HydrophobicContact CB-CG2 4.41Å; F397-I399 PolarHBondContact O-N 2.59Å; F397-I399 VanDerWaalsContact O-N 3.09Å
398L86.6Confident89Confident107 Ų10746.4 Ų46.456%0.5627%0.271SS*.  trans-85.562.5174.6-63.3177.6000111T373 G396 F412T373-L398 WeakPolarHBondContact CG2-O 3.35Å; T373-L398 PolarHBondContact OG1-N 2.98Å; G396-L398 PolarHBondContact O-N 3.29Å; L398-F412 HydrophobicContact CD2-CE2 3.48Å; L398-F412 VanDerWaalsContact CD2-CE2 3.48Å; L398-F412 HydrophobicContact CD2-CZ 3.57Å; L398-F412 HydrophobicContact CG-CZ 4.5Å
399I88.7Confident88.7Confident0 Ų043.9 Ų43.90%026%0.26CS..  trans-104.2-4-172.861.4165.8000114.5T373 F376 V391 V393 F397 G401 C402 V403 V407T373-I399 HydrophobicContact CG2-CG2 4.05Å; F376-I399 HydrophobicContact CB-CG2 4.12Å; F376-I399 HydrophobicContact CD1-CB 4.45Å; F376-I399 HydrophobicContact CD1-CD1 4.26Å; F376-I399 HydrophobicContact CD1-CG2 3.82Å; F376-I399 HydrophobicContact CD2-CD1 4.09Å; F376-I399 HydrophobicContact CE1-CD1 3.97Å; F376-I399 HydrophobicContact CE1-CG2 4.44Å; F376-I399 HydrophobicContact CE2-CD1 3.76Å; F376-I399 HydrophobicContact CG-CD1 4.33Å; F376-I399 HydrophobicContact CG-CG2 3.94Å; F376-I399 HydrophobicContact CZ-CD1 3.7Å; V391-I399 HydrophobicContact CG1-CD1 3.85Å; V393-I399 HydrophobicContact CG1-CD1 3.76Å; F397-I399 VanDerWaalsContact C-N 3.25Å; F397-I399 HydrophobicContact CB-CG1 4.43Å; F397-I399 HydrophobicContact CB-CG2 4.41Å; F397-I399 PolarHBondContact O-N 2.59Å; F397-I399 VanDerWaalsContact O-N 3.09Å; I399-G401 PolarHBondContact O-N 3.06Å; I399-G401 VanDerWaalsContact O-N 3.08Å; I399-C402 WeakPolarHBondContact O-CA 3.3Å; I399-C402 WeakPolarHBondContact O-CB 2.95Å; I399-C402 PolarHBondContact O-N 3.37Å; I399-V403 PolarHBondContact O-N 3.37Å; I399-V407 HydrophobicContact CD1-CG1 4.28Å; I399-V407 HydrophobicContact CD1-CG2 4.31Å; I399-V407 HydrophobicContact CG1-CG1 3.97Å; I399-V407 HydrophobicContact CG1-CG2 4.13Å
400S85.9Confident88Confident84 Ų8443.3 Ų43.359%0.58726%0.258SS*.THydrogen-bonded Turntrans-58.1-26.3-174.9-55.20000114.9
401G84.2Confident86.7Confident83 Ų8345.6 Ų45.686%0.85627%0.273SS*.THydrogen-bonded Turntrans-94.1-0.9174.800000114.3I399I399-G401 PolarHBondContact O-N 3.06Å; I399-G401 VanDerWaalsContact O-N 3.08Å
402C84.3Confident85Confident67 Ų6751.6 Ų51.645%0.45330%0.299SS..THydrogen-bonded Turntrans-111.6-12.9-171.8-56.80000113.2L377 I399L377-C402 HydrophobicContact CD2-CB 4.06Å; I399-C402 WeakPolarHBondContact O-CA 3.3Å; I399-C402 WeakPolarHBondContact O-CB 2.95Å; I399-C402 PolarHBondContact O-N 3.37Å
403V88.4Confident83.1Confident21 Ų2158.6 Ų58.613%0.12734%0.335CS..  trans-124.6150.4179.8-610000110.3F376 A382 I399 C405 V407F376-V403 HydrophobicContact CE1-CG1 3.54Å; F376-V403 HydrophobicContact CZ-CG1 4.06Å; A382-V403 HydrophobicContact CB-CG1 4.32Å; I399-V403 PolarHBondContact O-N 3.37Å; V403-C405 VanDerWaalsContact CG2-SG 3.57Å; V403-V407 HydrophobicContact CG2-CG2 3.43Å; V403-V407 VanDerWaalsContact CG2-CG2 3.43Å
404K86.6Confident80.9Confident167 Ų16761.3 Ų61.373%0.72635%0.354SS*.SBendtrans-83.4-19.7177-57.6-177.1179.4-177.80112.9E387E387-K404 HydrophobicContact CG-CB 3.8Å; E387-K404 HydrophobicContact CG-CD 4.44Å
405C92.1Very high79.1Confident9 Ų965.2 Ų65.26%0.06138%0.383CS..SBendtrans-79.3165.5-179.2730000111.7L385 T386 M389 V403L385-C405 HydrophobicContact CB-CB 4.14Å; T386-C405 WeakPolarHBondContact O-CB 3.32Å; M389-C405 VanDerWaalsContact O-CB 3.3Å; M389-C405 WeakPolarHBondContact O-CB 3.46Å; V403-C405 VanDerWaalsContact CG2-SG 3.57Å
406K92.8Very high77.9Confident106 Ų10669.1 Ų69.146%0.46140%0.4SS..EExtended strand (participates in β ladder)trans-69.4141.7174.7-169.2-178.2-168.5178.90110.7D313 M389 A390 V391 Y408D313-K406 WeakPolarHBondContact OD2-CD 3.41Å; D313-K406 IonicContact OD2-NZ 3.75Å; M389-K406 PolarHBondContact O-N 3.22Å; M389-K406 VanDerWaalsContact O-N 3.08Å; A390-K406 CarbonylContact C-O 3.21Å; A390-K406 VanDerWaalsContact CA-O 3.23Å; A390-K406 WeakPolarHBondContact CA-O 3.35Å; A390-K406 HydrophobicContact CB-CB 3.84Å; A390-K406 HydrophobicContact CB-CD 4.36Å; A390-K406 HydrophobicContact CB-CG 4.42Å; V391-K406 PolarHBondContact N-O 3.47Å; K406-Y408 HydrophobicContact CD-CE1 3.85Å; K406-Y408 HydrophobicContact CD-CE2 4.25Å; K406-Y408 WeakPolarHBondContact CD-OH 3.27Å; K406-Y408 VanDerWaalsContact CE-OH 3.3Å; K406-Y408 WeakPolarHBondContact CE-OH 3.2Å; K406-Y408 HydrophobicContact CG-CE1 4.4Å; K406-Y408 PolarHBondContact NZ-OH 3.33Å
407V92.8Very high76.4Confident28 Ų2873.7 Ų73.717%0.1742%0.423CS..EExtended strand (participates in β ladder)trans-117115.1178.2-176.60000110.1V391 V393 I399 V403 C409V391-V407 HydrophobicContact CG1-CB 4.42Å; V391-V407 HydrophobicContact CG1-CG1 4.38Å; V391-V407 HydrophobicContact CG1-CG2 3.9Å; V391-V407 WeakPolarHBondContact O-CA 3.27Å; V393-V407 HydrophobicContact CG2-CG1 3.73Å; I399-V407 HydrophobicContact CD1-CG1 4.28Å; I399-V407 HydrophobicContact CD1-CG2 4.31Å; I399-V407 HydrophobicContact CG1-CG1 3.97Å; I399-V407 HydrophobicContact CG1-CG2 4.13Å; V403-V407 HydrophobicContact CG2-CG2 3.43Å; V403-V407 VanDerWaalsContact CG2-CG2 3.43Å; V407-C409 HydrophobicContact CG1-CB 4.28Å
408Y91.1Very high74.8Confident15 Ų1581.9 Ų81.96%0.05946%0.461CS..EExtended strand (participates in β ladder)trans-90.4104169.5-64.4-57.2000109.7F311 D313 A390 V391 M392 V393 K406F311-Y408 HydrophobicContact CB-CD2 4.32Å; F311-Y408 HydrophobicContact CB-CE2 3.89Å; F311-Y408 AromaticContact CD1-CD1 3.56Å; F311-Y408 HydrophobicContact CD1-CD1 3.56Å; F311-Y408 AromaticContact CD1-CD2 3.87Å; F311-Y408 HydrophobicContact CD1-CD2 3.87Å; F311-Y408 AromaticContact CD1-CE1 3.5Å; F311-Y408 HydrophobicContact CD1-CE1 3.5Å; F311-Y408 VanDerWaalsContact CD1-CE1 3.5Å; F311-Y408 AromaticContact CD1-CE2 3.81Å; F311-Y408 HydrophobicContact CD1-CE2 3.81Å; F311-Y408 AromaticContact CD1-CG 3.73Å; F311-Y408 HydrophobicContact CD1-CG 3.73Å; F311-Y408 AromaticContact CD1-CZ 3.62Å; F311-Y408 AromaticContact CE1-CD1 3.82Å; F311-Y408 HydrophobicContact CE1-CD1 3.82Å; F311-Y408 HydrophobicContact CE1-CE1 4.01Å; F311-Y408 HydrophobicContact CE1-CG 4.21Å; F311-Y408 HydrophobicContact CG-CE2 4.35Å; D313-Y408 VanDerWaalsContact OD1-CE2 3.22Å; D313-Y408 WeakPolarHBondContact OD1-CE2 3.23Å; D313-Y408 VanDerWaalsContact OD1-CZ 3.28Å; D313-Y408 PolarHBondContact OD1-OH 3.45Å; D313-Y408 PolarHBondContact OD2-OH 3.39Å; A390-Y408 HydrophobicContact CB-CD2 3.71Å; A390-Y408 HydrophobicContact CB-CE2 3.34Å; V391-Y408 PolarHBondContact O-N 2.76Å; M392-Y408 WeakPolarHBondContact CA-O 3.44Å; M392-Y408 HydrophobicContact CE-CD2 4.43Å; V393-Y408 PolarHBondContact N-O 3.21Å; K406-Y408 HydrophobicContact CD-CE1 3.85Å; K406-Y408 HydrophobicContact CD-CE2 4.25Å; K406-Y408 WeakPolarHBondContact CD-OH 3.27Å; K406-Y408 VanDerWaalsContact CE-OH 3.3Å; K406-Y408 WeakPolarHBondContact CE-OH 3.2Å; K406-Y408 HydrophobicContact CG-CE1 4.4Å; K406-Y408 PolarHBondContact NZ-OH 3.33Å
409C85.8Confident73.1Confident37 Ų3780 Ų8025%0.2545%0.451CS..  trans-128139.1178-177.90000109.3V393 D394 V407V393-C409 HydrophobicContact CG2-CB 3.82Å; D394-C409 PolarHBondContact O-SG 2.81Å; D394-C409 VanDerWaalsContact O-SG 3.36Å; V407-C409 HydrophobicContact CG1-CB 4.28Å
410P79.2Confident71.8Confident7 Ų782.8 Ų82.85%0.04547%0.474CS..PPolyproline II helixtrans-61.1137.4172.3-16.728.5000110.3V393 K395 V430V393-P410 WeakPolarHBondContact O-CD 3.23Å; K395-P410 HydrophobicContact CD-CB 4.36Å; K395-P410 HydrophobicContact CG-CB 3.83Å; K395-P410 HydrophobicContact CG-CG 4.09Å; P410-V430 HydrophobicContact CG-CB 4.46Å; P410-V430 HydrophobicContact CG-CG1 3.88Å
411P68.6Low70.7Confident48 Ų4883.9 Ų83.931%0.31248%0.481SS..PPolyproline II helixtrans-59.7145.9179.823.4-33.2000112K395 L413 M419 A427K395-P411 WeakPolarHBondContact CE-O 3.41Å; P411-L413 PolarHBondContact O-N 2.83Å; P411-M419 HydrophobicContact CB-CE 4.05Å; P411-M419 HydrophobicContact CG-CE 4.2Å; P411-A427 HydrophobicContact CG-CB 3.64Å
412F59.5Low69.6Low125 Ų12587.2 Ų87.255%0.54847%0.474SS..PPolyproline II helixtrans-60.3130.8166.8-82-90000109.2K395 L398 S414K395-F412 WeakPolarHBondContact O-CZ 3.48Å; L398-F412 HydrophobicContact CD2-CE2 3.48Å; L398-F412 VanDerWaalsContact CD2-CE2 3.48Å; L398-F412 HydrophobicContact CD2-CZ 3.57Å; L398-F412 HydrophobicContact CG-CZ 4.5Å; F412-S414 PolarHBondContact O-N 3.39Å
413L53.6Low68.7Low147 Ų14787.7 Ų87.777%0.7747%0.473SS*.  trans-70.484.3168.5-69.5172.9000107.2P411P411-L413 PolarHBondContact O-N 2.83Å
414S47Very low68Low57 Ų5789.6 Ų89.640%0.39948%0.484SS..  trans-69.8142166.157.20000108.4F412 K416F412-S414 PolarHBondContact O-N 3.39Å; S414-K416 PolarHBondContact O-N 3Å
415P47.3Very low67.5Low141 Ų14186 Ų8692%0.91647%0.472SS*.SBendtrans-73.331.3-178.830.1-34.3000112.8
416K53.8Low66.7Low158 Ų15890.1 Ų90.169%0.68749%0.491SS*.  trans-87.8136.3176.3-75.7-173.1177.1-179.60110.1S414 Q418S414-K416 PolarHBondContact O-N 3Å; K416-Q418 PolarHBondContact O-N 3.38Å
417P51.3Low66Low133 Ų13386 Ų8686%0.86448%0.477SS*.SBendtrans-74.80.6-163.6-14.330.3000115.8
418Q51.4Low65.4Low179 Ų17989.5 Ų89.584%0.83649%0.491SS*.  trans-145.187.9-174-70.7178.3-0.500110K416K416-Q418 PolarHBondContact O-N 3.38Å
419M51.6Low65.1Low68 Ų6892.1 Ų92.134%0.33550%0.503SS..  trans-78122.4158.5-68.2-67.1-80.800107P411 S421 N423 V424P411-M419 HydrophobicContact CB-CE 4.05Å; P411-M419 HydrophobicContact CG-CE 4.2Å; M419-S421 PolarHBondContact O-N 3.24Å; M419-N423 HydrophobicContact CE-CB 4.25Å; M419-V424 HydrophobicContact CB-CG2 3.73Å
420A60.6Low65.1Low59 Ų5990.6 Ų90.649%0.48849%0.492SS..  trans-51.1131.9171.300000109.1Q422 N423 V424A420-Q422 PolarHBondContact O-N 3.06Å; A420-N423 PolarHBondContact O-N 3.37Å; A420-V424 PolarHBondContact O-N 3.25Å
421S62.1Low65.3Low106 Ų10692.5 Ų92.574%0.74151%0.509SS*.Hα-helixtrans-48.6-32-175.148.80000113.6M419 V424 L425M419-S421 PolarHBondContact O-N 3.24Å; S421-V424 PolarHBondContact O-N 3.18Å; S421-L425 PolarHBondContact O-N 3.25Å; S421-L425 VanDerWaalsContact O-N 3.09Å
422Q61.4Low66.1Low153 Ų15399.1 Ų99.172%0.71553%0.527SS*.Hα-helixtrans-67.1-38.3178.3-157168.16.400113.6A420 V424 L425 Q426A420-Q422 PolarHBondContact O-N 3.06Å; Q422-V424 VanDerWaalsContact C-N 3.35Å; Q422-L425 PolarHBondContact O-N 2.72Å; Q422-Q426 PolarHBondContact O-N 3.08Å
423N66.3Low67.5Low78 Ų7893.6 Ų93.642%0.41750%0.503SS..Hα-helixtrans-70.1-33.8176.7-70.5-15.7000111.6M419 A420 A427M419-N423 HydrophobicContact CE-CB 4.25Å; A420-N423 PolarHBondContact O-N 3.37Å; N423-A427 VanDerWaalsContact O-CB 3.31Å; N423-A427 WeakPolarHBondContact O-CB 3.33Å; N423-A427 PolarHBondContact O-N 3.39Å
424V73.1Confident69.1Low60 Ų6087.5 Ų87.536%0.36447%0.47SS..Hα-helixtrans-67.8-42.3175.2-179.50000110.5M419 A420 S421 Q422 A427 Q428M419-V424 HydrophobicContact CB-CG2 3.73Å; A420-V424 PolarHBondContact O-N 3.25Å; S421-V424 PolarHBondContact O-N 3.18Å; Q422-V424 VanDerWaalsContact C-N 3.35Å; V424-A427 WeakPolarHBondContact O-CB 2.81Å; V424-A427 PolarHBondContact O-N 2.85Å; V424-Q428 WeakPolarHBondContact O-CG 3.46Å; V424-Q428 PolarHBondContact O-N 3.37Å
425L77Confident71Confident92 Ų9287 Ų8748%0.48246%0.464SS..Hα-helixtrans-62.8-45.9177.5-162.593.9000111.6S421 Q422 A427 Q428 K429S421-L425 PolarHBondContact O-N 3.25Å; S421-L425 VanDerWaalsContact O-N 3.09Å; Q422-L425 PolarHBondContact O-N 2.72Å; L425-A427 PolarHBondContact O-N 3.02Å; L425-Q428 PolarHBondContact O-N 3.37Å; L425-K429 WeakPolarHBondContact O-CG 3.21Å; L425-K429 PolarHBondContact O-N 2.57Å
426Q75.3Confident72.8Confident95 Ų9581.3 Ų81.344%0.44443%0.426SS..Hα-helixtrans-64.8-40.2178.5-166.8174.48.600111.8F311 Q422 Q428 K429 V430F311-Q426 HydrophobicContact CE1-CG 4.42Å; F311-Q426 HydrophobicContact CZ-CG 4.28Å; Q422-Q426 PolarHBondContact O-N 3.08Å; Q426-Q428 VanDerWaalsContact C-N 3.33Å; Q426-Q428 PolarHBondContact O-N 3.43Å; Q426-K429 PolarHBondContact O-N 3.37Å; Q426-V430 WeakPolarHBondContact O-CG2 3.34Å; Q426-V430 PolarHBondContact O-N 3.26Å
427A76.4Confident74.4Confident21 Ų2173.8 Ų73.817%0.17439%0.393CS..Hα-helixtrans-58.1-43.9173.200000112.5P411 N423 V424 L425 A431P411-A427 HydrophobicContact CG-CB 3.64Å; N423-A427 VanDerWaalsContact O-CB 3.31Å; N423-A427 WeakPolarHBondContact O-CB 3.33Å; N423-A427 PolarHBondContact O-N 3.39Å; V424-A427 WeakPolarHBondContact O-CB 2.81Å; V424-A427 PolarHBondContact O-N 2.85Å; L425-A427 PolarHBondContact O-N 3.02Å; A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.16Å
428Q80.8Confident76.3Confident100 Ų10071.8 Ų71.847%0.46737%0.372SS..Hα-helixtrans-65.8-38.6177.1-73.3176.20.600111.8V424 L425 Q426 A431 R432V424-Q428 WeakPolarHBondContact O-CG 3.46Å; V424-Q428 PolarHBondContact O-N 3.37Å; L425-Q428 PolarHBondContact O-N 3.37Å; Q426-Q428 VanDerWaalsContact C-N 3.33Å; Q426-Q428 PolarHBondContact O-N 3.43Å; Q428-A431 PolarHBondContact O-N 3.19Å; Q428-R432 WeakPolarHBondContact O-CB 3.42Å; Q428-R432 VanDerWaalsContact O-CG 3.27Å; Q428-R432 WeakPolarHBondContact O-CG 3.31Å; Q428-R432 PolarHBondContact O-N 3.41Å
429K85.5Confident78.1Confident70 Ų7069.2 Ų69.230%0.30436%0.355SS..Hα-helixtrans-62.9-48.9175.4-70.4179.4176.5-168.70111.5D310 F311 L425 Q426 A431 R432 L433D310-K429 IonicContact OD1-NZ 2.93Å; D310-K429 PolarHBondContact OD1-NZ 3.31Å; D310-K429 VanDerWaalsContact OD2-CD 3.32Å; D310-K429 WeakPolarHBondContact OD2-CD 3.49Å; D310-K429 WeakPolarHBondContact OD2-CE 3.44Å; D310-K429 IonicContact OD2-NZ 2.78Å; D310-K429 PolarHBondContact OD2-NZ 3.37Å; F311-K429 HydrophobicContact CE2-CB 3.92Å; F311-K429 HydrophobicContact CZ-CB 4.08Å; L425-K429 WeakPolarHBondContact O-CG 3.21Å; L425-K429 PolarHBondContact O-N 2.57Å; Q426-K429 PolarHBondContact O-N 3.37Å; K429-A431 VanDerWaalsContact C-N 3.34Å; K429-A431 PolarHBondContact O-N 2.9Å; K429-R432 PolarHBondContact O-N 3.39Å; K429-R432 VanDerWaalsContact O-N 3.17Å; K429-L433 WeakPolarHBondContact O-CG 2.98Å; K429-L433 PolarHBondContact O-N 3.12Å
430V84.5Confident80Confident5 Ų566 Ų663%0.0334%0.339CS..Hα-helixtrans-59.3-44.9175.8177.30000111F311 M392 P410 Q426 R432 L433 R434F311-V430 HydrophobicContact CE1-CG2 3.62Å; F311-V430 HydrophobicContact CE2-CG2 4.49Å; F311-V430 HydrophobicContact CZ-CG2 3.53Å; M392-V430 HydrophobicContact CG-CG1 3.96Å; M392-V430 HydrophobicContact SD-CG1 4.09Å; P410-V430 HydrophobicContact CG-CB 4.46Å; P410-V430 HydrophobicContact CG-CG1 3.88Å; Q426-V430 WeakPolarHBondContact O-CG2 3.34Å; Q426-V430 PolarHBondContact O-N 3.26Å; V430-R432 VanDerWaalsContact C-N 3.31Å; V430-R432 PolarHBondContact O-N 3.46Å; V430-L433 PolarHBondContact O-N 3.2Å; V430-R434 WeakPolarHBondContact O-CG 3.43Å; V430-R434 PolarHBondContact O-N 3.3Å
431A83.3Confident81.3Confident47 Ų4763.7 Ų63.739%0.38832%0.319SS..Hα-helixtrans-61.7-36.7177.500000113A427 Q428 K429A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.16Å; Q428-A431 PolarHBondContact O-N 3.19Å; K429-A431 VanDerWaalsContact C-N 3.34Å; K429-A431 PolarHBondContact O-N 2.9Å
432R86.4Confident82.6Confident187 Ų18763.6 Ų63.671%0.70631%0.307SS*.Hα-helixtrans-66.9-43.2174.9-75.5174.2-176.8-135.62.8112.1Q428 K429 V430 R434 V435Q428-R432 WeakPolarHBondContact O-CB 3.42Å; Q428-R432 VanDerWaalsContact O-CG 3.27Å; Q428-R432 WeakPolarHBondContact O-CG 3.31Å; Q428-R432 PolarHBondContact O-N 3.41Å; K429-R432 PolarHBondContact O-N 3.39Å; K429-R432 VanDerWaalsContact O-N 3.17Å; V430-R432 VanDerWaalsContact C-N 3.31Å; V430-R432 PolarHBondContact O-N 3.46Å; R432-R434 VanDerWaalsContact C-N 3.29Å; R432-R434 PolarHBondContact O-N 3.47Å; R432-V435 VanDerWaalsContact O-CB 3.25Å; R432-V435 WeakPolarHBondContact O-CB 3.5Å; R432-V435 VanDerWaalsContact O-CG2 3.26Å; R432-V435 WeakPolarHBondContact O-CG2 3.44Å; R432-V435 PolarHBondContact O-N 3.2Å
433L88.9Confident84Confident9 Ų958.4 Ų58.45%0.04728%0.281CS..Hα-helixtrans-69.6-27.8-178.8-66175.2000112.7D307 F308 F311 M392 K429 V430 V435 H436D307-L433 HydrophobicContact CB-CD2 3.64Å; F308-L433 HydrophobicContact CD1-CD1 3.88Å; F308-L433 HydrophobicContact CD1-CD2 4.37Å; F308-L433 HydrophobicContact CD2-CD2 4.04Å; F308-L433 HydrophobicContact CE1-CB 3.98Å; F308-L433 HydrophobicContact CE1-CD1 3.94Å; F308-L433 HydrophobicContact CE1-CD2 4.13Å; F308-L433 HydrophobicContact CE1-CG 4.23Å; F308-L433 HydrophobicContact CE2-CD2 3.79Å; F308-L433 HydrophobicContact CG-CD1 4.34Å; F308-L433 HydrophobicContact CG-CD2 4.3Å; F308-L433 HydrophobicContact CZ-CB 4Å; F308-L433 HydrophobicContact CZ-CD1 4.45Å; F308-L433 HydrophobicContact CZ-CD2 3.8Å; F308-L433 HydrophobicContact CZ-CG 4.29Å; F311-L433 HydrophobicContact CD2-CD1 3.35Å; F311-L433 HydrophobicContact CE2-CD1 3.57Å; F311-L433 HydrophobicContact CG-CD1 4.33Å; M392-L433 HydrophobicContact CE-CB 4.2Å; M392-L433 HydrophobicContact CE-CD1 3.9Å; M392-L433 HydrophobicContact SD-CB 3.75Å; K429-L433 WeakPolarHBondContact O-CG 2.98Å; K429-L433 PolarHBondContact O-N 3.12Å; V430-L433 PolarHBondContact O-N 3.2Å; L433-V435 PolarHBondContact O-N 3.26Å; L433-H436 WeakPolarHBondContact O-CB 3.38Å; L433-H436 PolarHBondContact O-CD2 3.11Å; L433-H436 PolarHBondContact O-N 3.16Å; L433-H436 VanDerWaalsContact O-N 3.15Å
434R87.3Confident85.2Confident20 Ų2054.7 Ų54.78%0.07526%0.261CS..THydrogen-bonded Turntrans-60.4-21.9171.6-78.1174.244.482.57.2114.5D394 V430 R432 H436 V437 E438D394-R434 IonicContact OD1-CZ 2.61Å; D394-R434 IonicContact OD1-NE 3.77Å; D394-R434 IonicContact OD1-NH1 2.65Å; D394-R434 IonicContact OD1-NH2 3.55Å; D394-R434 IonicContact OD2-CZ 3.15Å; D394-R434 IonicContact OD2-NH1 3.57Å; D394-R434 PolarHBondContact OD2-NH1 3.31Å; D394-R434 IonicContact OD2-NH2 3.22Å; D394-R434 PolarHBondContact OD2-NH2 3.5Å; V430-R434 WeakPolarHBondContact O-CG 3.43Å; V430-R434 PolarHBondContact O-N 3.3Å; R432-R434 VanDerWaalsContact C-N 3.29Å; R432-R434 PolarHBondContact O-N 3.47Å; R434-H436 PolarHBondContact O-N 3.48Å; R434-V437 VanDerWaalsContact O-CG1 3.26Å; R434-V437 WeakPolarHBondContact O-CG1 3.36Å; R434-V437 PolarHBondContact O-N 3.29Å; R434-V437 VanDerWaalsContact O-N 3.1Å; R434-E438 IonicContact CZ-OE1 2.7Å; R434-E438 IonicContact NE-OE1 3.96Å; R434-E438 IonicContact NH2-OE1 2.68Å; R434-E438 PolarHBondContact NH2-OE1 3.2Å; R434-E438 PolarHBondContact O-N 3.05Å; R434-E438 VanDerWaalsContact O-N 3.14Å
435V86Confident85.9Confident45 Ų4555.3 Ų55.327%0.27326%0.259SS..Hα-helixtrans-56.1-25.5175.7176.20000111.2R432 L433 E438 R439R432-V435 VanDerWaalsContact O-CB 3.25Å; R432-V435 WeakPolarHBondContact O-CB 3.5Å; R432-V435 VanDerWaalsContact O-CG2 3.26Å; R432-V435 WeakPolarHBondContact O-CG2 3.44Å; R432-V435 PolarHBondContact O-N 3.2Å; L433-V435 PolarHBondContact O-N 3.26Å; V435-E438 PolarHBondContact O-N 3.31Å; V435-R439 HydrophobicContact CG1-CG 4.05Å; V435-R439 VanDerWaalsContact CG1-NE 3.35Å; V435-R439 WeakPolarHBondContact O-CB 3.21Å; V435-R439 VanDerWaalsContact O-CG 3.23Å; V435-R439 WeakPolarHBondContact O-CG 3.46Å; V435-R439 PolarHBondContact O-N 3.37Å
436H85.6Confident86.6Confident22 Ų2254 Ų5410%0.10225%0.25CC..Hα-helixtrans-59.4-56.1174.4-70.6-119.7000111.6F308 I317 P355 L433 R434 E438 R439 V440F308-H436 AromaticContact CE2-CE1 3.84Å; I317-H436 HydrophobicContact CD1-CB 3.91Å; P355-H436 PolarHBondContact O-ND1 3.31Å; P355-H436 VanDerWaalsContact O-ND1 3.17Å; L433-H436 WeakPolarHBondContact O-CB 3.38Å; L433-H436 PolarHBondContact O-CD2 3.11Å; L433-H436 PolarHBondContact O-N 3.16Å; L433-H436 VanDerWaalsContact O-N 3.15Å; R434-H436 PolarHBondContact O-N 3.48Å; H436-E438 VanDerWaalsContact C-N 3.31Å; H436-E438 PolarHBondContact O-N 2.63Å; H436-R439 PolarHBondContact O-N 3.5Å; H436-V440 WeakPolarHBondContact O-CG2 3.47Å; H436-V440 PolarHBondContact O-N 3.05Å; H436-V440 VanDerWaalsContact O-N 3.13Å
437V88.8Confident87.4Confident1 Ų149.4 Ų49.41%0.00623%0.229CC..Hα-helixtrans-68-32.718068.90000112.1I317 V353 R434 V440 T441I317-V437 HydrophobicContact CB-CB 4.29Å; I317-V437 HydrophobicContact CG2-CB 3.84Å; I317-V437 HydrophobicContact CG2-CG1 3.6Å; V353-V437 HydrophobicContact CB-CB 4.32Å; V353-V437 HydrophobicContact CB-CG2 4.25Å; V353-V437 HydrophobicContact CG2-CB 4.27Å; V353-V437 HydrophobicContact CG2-CG2 3.78Å; R434-V437 VanDerWaalsContact O-CG1 3.26Å; R434-V437 WeakPolarHBondContact O-CG1 3.36Å; R434-V437 PolarHBondContact O-N 3.29Å; R434-V437 VanDerWaalsContact O-N 3.1Å; V437-V440 PolarHBondContact O-N 3.41Å; V437-T441 VanDerWaalsContact O-CB 3.31Å; V437-T441 WeakPolarHBondContact O-CB 3.12Å; V437-T441 PolarHBondContact O-N 3.06Å; V437-T441 PolarHBondContact O-OG1 2.9Å
438E89.6Confident88.1Confident90 Ų9052.9 Ų52.942%0.42124%0.24SC..Hα-helixtrans-65.7-41.9176.2-68.4171.6-174.600111.6R434 V435 H436 T441 Q442R434-E438 IonicContact CZ-OE1 2.7Å; R434-E438 IonicContact NE-OE1 3.96Å; R434-E438 IonicContact NH2-OE1 2.68Å; R434-E438 PolarHBondContact NH2-OE1 3.2Å; R434-E438 PolarHBondContact O-N 3.05Å; R434-E438 VanDerWaalsContact O-N 3.14Å; V435-E438 PolarHBondContact O-N 3.31Å; H436-E438 VanDerWaalsContact C-N 3.31Å; H436-E438 PolarHBondContact O-N 2.63Å; E438-T441 PolarHBondContact O-N 3.19Å; E438-Q442 VanDerWaalsContact O-CB 3.31Å; E438-Q442 WeakPolarHBondContact O-CB 3.4Å; E438-Q442 PolarHBondContact O-N 3.47Å
439R90.1Very high88.5Confident125 Ų12548.4 Ų48.447%0.47222%0.219SC..Hα-helixtrans-63.2-43.6174.1-75.7175.9-171.1161.98.8112V435 H436 Q442 R443 L480V435-R439 HydrophobicContact CG1-CG 4.05Å; V435-R439 VanDerWaalsContact CG1-NE 3.35Å; V435-R439 WeakPolarHBondContact O-CB 3.21Å; V435-R439 VanDerWaalsContact O-CG 3.23Å; V435-R439 WeakPolarHBondContact O-CG 3.46Å; V435-R439 PolarHBondContact O-N 3.37Å; H436-R439 PolarHBondContact O-N 3.5Å; R439-Q442 WeakPolarHBondContact O-CB 3.5Å; R439-Q442 PolarHBondContact O-N 3.12Å; R439-R443 WeakPolarHBondContact O-CG 3.3Å; R439-R443 PolarHBondContact O-N 3.29Å; R439-L480 HydrophobicContact CB-CD2 4.06Å
440V91Very high88.7Confident0 Ų045.8 Ų45.80%021%0.208CC..Hα-helixtrans-64.9-44.5176.8179.40000111.1M351 V353 V359 H436 V437 Q442 R443 V444 V473 L480M351-V440 HydrophobicContact CE-CG1 4.48Å; M351-V440 HydrophobicContact SD-CB 4.31Å; M351-V440 HydrophobicContact SD-CG1 3.51Å; M351-V440 VanDerWaalsContact SD-CG1 3.51Å; V353-V440 HydrophobicContact CG1-CG2 3.85Å; V353-V440 HydrophobicContact CG2-CB 3.94Å; V353-V440 HydrophobicContact CG2-CG1 3.9Å; V353-V440 HydrophobicContact CG2-CG2 4.06Å; V359-V440 HydrophobicContact CG2-CG1 3.43Å; V359-V440 VanDerWaalsContact CG2-CG1 3.43Å; H436-V440 WeakPolarHBondContact O-CG2 3.47Å; H436-V440 PolarHBondContact O-N 3.05Å; H436-V440 VanDerWaalsContact O-N 3.13Å; V437-V440 PolarHBondContact O-N 3.41Å; V440-Q442 PolarHBondContact O-N 3.38Å; V440-R443 WeakPolarHBondContact O-CB 3.47Å; V440-R443 PolarHBondContact O-N 3.06Å; V440-R443 VanDerWaalsContact O-N 3.11Å; V440-V444 PolarHBondContact O-N 3Å; V440-V444 VanDerWaalsContact O-N 3.11Å; V440-V473 HydrophobicContact CG1-CG1 4.09Å; V440-L480 HydrophobicContact CG2-CD1 3.44Å; V440-L480 VanDerWaalsContact CG2-CD1 3.44Å
441T88.9Confident88.6Confident12 Ų1249.6 Ų49.67%0.07423%0.228CC..Hα-helixtrans-59.2-40.3175.4-58.70000110.8V437 E438 V444 K445V437-T441 VanDerWaalsContact O-CB 3.31Å; V437-T441 WeakPolarHBondContact O-CB 3.12Å; V437-T441 PolarHBondContact O-N 3.06Å; V437-T441 PolarHBondContact O-OG1 2.9Å; E438-T441 PolarHBondContact O-N 3.19Å; T441-V444 PolarHBondContact O-N 3.2Å; T441-K445 WeakPolarHBondContact O-CG 3.34Å; T441-K445 PolarHBondContact O-N 3.34Å; T441-K445 VanDerWaalsContact O-N 3.07Å
442Q89.3Confident88.2Confident103 Ų10350.4 Ų50.448%0.48123%0.23SC..Hα-helixtrans-63.6-42.1175.4-174.958.92700111.9E438 R439 V440 V444 K445 E446E438-Q442 VanDerWaalsContact O-CB 3.31Å; E438-Q442 WeakPolarHBondContact O-CB 3.4Å; E438-Q442 PolarHBondContact O-N 3.47Å; R439-Q442 WeakPolarHBondContact O-CB 3.5Å; R439-Q442 PolarHBondContact O-N 3.12Å; V440-Q442 PolarHBondContact O-N 3.38Å; Q442-V444 VanDerWaalsContact C-N 3.27Å; Q442-V444 PolarHBondContact O-N 3.47Å; Q442-K445 CarbonylContact O-C 3.58Å; Q442-K445 WeakPolarHBondContact O-CA 3.27Å; Q442-K445 WeakPolarHBondContact O-CB 3.36Å; Q442-K445 PolarHBondContact O-N 3.07Å; Q442-E446 WeakPolarHBondContact O-CG 3.44Å; Q442-E446 PolarHBondContact O-N 3.28Å
443R90.8Very high87.8Confident45 Ų4543.5 Ų43.517%0.1721%0.209CC..Hα-helixtrans-58.1-38.2174.4-71.4171.2176.7-175-2.2112.3R439 V440 E446 V473 K478R439-R443 WeakPolarHBondContact O-CG 3.3Å; R439-R443 PolarHBondContact O-N 3.29Å; V440-R443 WeakPolarHBondContact O-CB 3.47Å; V440-R443 PolarHBondContact O-N 3.06Å; V440-R443 VanDerWaalsContact O-N 3.11Å; R443-E446 WeakPolarHBondContact O-CB 2.9Å; R443-E446 PolarHBondContact O-N 3.08Å; R443-V473 HydrophobicContact CB-CG1 4.22Å; R443-V473 HydrophobicContact CB-CG2 4.31Å; R443-K478 PolarHBondContact NH1-O 3.47Å
444V91.2Very high87.2Confident0 Ų043.2 Ų43.20%021%0.208CC..Hα-helixtrans-65.2-43.4173.2177.20000110.9M351 V440 T441 Q442 E446 N447 F450 F466 A469 C470 V473M351-V444 HydrophobicContact CE-CB 4.41Å; M351-V444 HydrophobicContact CE-CG2 3.57Å; V440-V444 PolarHBondContact O-N 3Å; V440-V444 VanDerWaalsContact O-N 3.11Å; T441-V444 PolarHBondContact O-N 3.2Å; Q442-V444 VanDerWaalsContact C-N 3.27Å; Q442-V444 PolarHBondContact O-N 3.47Å; V444-E446 PolarHBondContact O-N 3.45Å; V444-N447 WeakPolarHBondContact O-CB 3.14Å; V444-N447 PolarHBondContact O-N 3.35Å; V444-N447 PolarHBondContact O-ND2 2.83Å; V444-F450 HydrophobicContact CG1-CD2 4.35Å; V444-F450 HydrophobicContact CG1-CE2 4.17Å; V444-F466 HydrophobicContact CG1-CD2 4.36Å; V444-F466 HydrophobicContact CG1-CE2 4.09Å; V444-A469 HydrophobicContact CG1-CB 4.26Å; V444-C470 HydrophobicContact CG2-CB 4.39Å; V444-V473 HydrophobicContact CG2-CG2 3.61Å
445K88.3Confident86.4Confident73 Ų7344.1 Ų44.132%0.31722%0.216SC..Hα-helixtrans-68.3-18.9178.2-70-179.2177.8178.80114S321 T441 Q442 N447S321-K445 WeakPolarHBondContact OG-CE 3.3Å; T441-K445 WeakPolarHBondContact O-CG 3.34Å; T441-K445 PolarHBondContact O-N 3.34Å; T441-K445 VanDerWaalsContact O-N 3.07Å; Q442-K445 CarbonylContact O-C 3.58Å; Q442-K445 WeakPolarHBondContact O-CA 3.27Å; Q442-K445 WeakPolarHBondContact O-CB 3.36Å; Q442-K445 PolarHBondContact O-N 3.07Å; K445-N447 PolarHBondContact O-N 3.22Å
446E90.6Very high85.3Confident63 Ų6344.7 Ų44.729%0.29422%0.222SC..THydrogen-bonded Turntrans-65.9-17.2173-74.3172.6-164.500113.3R193 Q442 R443 V444 K448R193-E446 PolarHBondContact NH1-O 2.65Å; Q442-E446 WeakPolarHBondContact O-CG 3.44Å; Q442-E446 PolarHBondContact O-N 3.28Å; R443-E446 WeakPolarHBondContact O-CB 2.9Å; R443-E446 PolarHBondContact O-N 3.08Å; V444-E446 PolarHBondContact O-N 3.45Å; E446-K448 PolarHBondContact O-N 3.3Å; E446-K448 VanDerWaalsContact O-N 3.16Å
447N91.9Very high84.3Confident0 Ų048.9 Ų48.90%025%0.254CS..SBendtrans-66.4110.4169.6-68.8-75.7000109.3L253 A254 V444 K445 L449 F450L253-N447 HydrophobicContact CG-CB 4.46Å; L253-N447 WeakPolarHBondContact O-CB 3.22Å; A254-N447 WeakPolarHBondContact CA-OD1 3.42Å; V444-N447 WeakPolarHBondContact O-CB 3.14Å; V444-N447 PolarHBondContact O-N 3.35Å; V444-N447 PolarHBondContact O-ND2 2.83Å; K445-N447 PolarHBondContact O-N 3.22Å; N447-L449 PolarHBondContact O-N 2.86Å; N447-F450 HydrophobicContact CB-CD2 3.82Å; N447-F450 HydrophobicContact CB-CE2 4.02Å; N447-F450 PolarHBondContact O-N 3.25Å
448K91.8Very high83.2Confident93 Ų9350 Ų5040%0.40426%0.259SS..G310 helixtrans-61.5-17.4-174.6-63.2-56-180-176.80113.8A254 E446 F450 D451A254-K448 WeakPolarHBondContact O-CB 3.41Å; A254-K448 VanDerWaalsContact O-CG 3.28Å; A254-K448 WeakPolarHBondContact O-CG 3.12Å; A254-K448 PolarHBondContact O-N 3.45Å; E446-K448 PolarHBondContact O-N 3.3Å; E446-K448 VanDerWaalsContact O-N 3.16Å; K448-F450 PolarHBondContact O-N 2.86Å; K448-D451 WeakPolarHBondContact CD-OD2 3.46Å; K448-D451 WeakPolarHBondContact CE-OD2 3.5Å; K448-D451 IonicContact NZ-OD2 3.29Å; K448-D451 PolarHBondContact NZ-OD2 2.82Å; K448-D451 PolarHBondContact O-N 2.8Å
449L89.3Confident81.9Confident7 Ų747.7 Ų47.74%0.03726%0.256CS..G310 helixtrans-56.6-36.7170-173.266.4000112.5Y252 L253 N447 M458 L465Y252-L449 HydrophobicContact CD1-CD2 4.35Å; Y252-L449 HydrophobicContact CE1-CD1 4.28Å; Y252-L449 HydrophobicContact CE1-CD2 3.95Å; L253-L449 HydrophobicContact CD1-CB 4.36Å; L253-L449 HydrophobicContact CD1-CD2 3.71Å; L253-L449 VanDerWaalsContact O-CB 3.3Å; L253-L449 WeakPolarHBondContact O-CB 3.47Å; L253-L449 PolarHBondContact O-N 2.97Å; N447-L449 PolarHBondContact O-N 2.86Å; L449-M458 HydrophobicContact CD1-CE 3.81Å; L449-M458 HydrophobicContact CD2-CE 4.12Å; L449-M458 HydrophobicContact CG-CE 4.38Å; L449-L465 HydrophobicContact CD2-CD1 4.11Å
450F88.4Confident80.9Confident15 Ų1545.1 Ų45.17%0.06627%0.268CS..G310 helixtrans-89.9-8.9-177.5-55.2-46.2000114.2L253 L323 V444 N447 K448 S452 I454 I462 F466 A469L253-F450 HydrophobicContact CD1-CE2 4.2Å; L253-F450 HydrophobicContact CD1-CZ 3.93Å; L323-F450 HydrophobicContact CD1-CD1 4.31Å; L323-F450 HydrophobicContact CD1-CE1 4.41Å; L323-F450 HydrophobicContact CD2-CB 3.82Å; L323-F450 HydrophobicContact CD2-CD1 3.83Å; L323-F450 HydrophobicContact CD2-CD2 4.44Å; L323-F450 HydrophobicContact CD2-CG 3.77Å; V444-F450 HydrophobicContact CG1-CD2 4.35Å; V444-F450 HydrophobicContact CG1-CE2 4.17Å; N447-F450 HydrophobicContact CB-CD2 3.82Å; N447-F450 HydrophobicContact CB-CE2 4.02Å; N447-F450 PolarHBondContact O-N 3.25Å; K448-F450 PolarHBondContact O-N 2.86Å; F450-S452 VanDerWaalsContact C-N 3.34Å; F450-I454 HydrophobicContact CD1-CD1 4.28Å; F450-I462 HydrophobicContact CD1-CD1 4.35Å; F450-I462 HydrophobicContact CE1-CD1 3.86Å; F450-F466 HydrophobicContact CZ-CB 4.5Å; F450-A469 HydrophobicContact CE2-CB 3.54Å; F450-A469 HydrophobicContact CZ-CB 3.89Å
451D83.6Confident80.5Confident85 Ų8547.3 Ų47.346%0.45528%0.28SS..THydrogen-bonded Turntrans-70.4-33.2176.8-83.5-6000112K448K448-D451 WeakPolarHBondContact CD-OD2 3.46Å; K448-D451 WeakPolarHBondContact CE-OD2 3.5Å; K448-D451 IonicContact NZ-OD2 3.29Å; K448-D451 PolarHBondContact NZ-OD2 2.82Å; K448-D451 PolarHBondContact O-N 2.8Å
452S75.4Confident80.4Confident63 Ų6346.9 Ų46.944%0.44128%0.277SS..SBendtrans-100.2163.3-17675.60000112.1F450 I454F450-S452 VanDerWaalsContact C-N 3.34Å; S452-I454 PolarHBondContact O-N 3.44Å; S452-I454 VanDerWaalsContact O-N 3.12Å
453V76.6Confident80.4Confident43 Ų4343.8 Ų43.826%0.26126%0.264SS..  trans-69.1112.2177-168.50000109.1Q326 Q344Q326-V453 HydrophobicContact CB-CG1 4.32Å; Q326-V453 HydrophobicContact CG-CB 4.33Å; Q326-V453 HydrophobicContact CG-CG1 3.47Å; Q326-V453 VanDerWaalsContact CG-CG1 3.47Å; Q344-V453 HydrophobicContact CG-CG1 4.32Å
454I76.9Confident80.5Confident3 Ų344.5 Ų44.52%0.01527%0.268CS..BIsolated β-bridgetrans-63.8125.6-176.3-63.2147.8000109.9L323 R324 Q326 F450 S452 M458 I462L323-I454 HydrophobicContact CB-CD1 4.33Å; R324-I454 PolarHBondContact O-N 2.68Å; Q326-I454 WeakPolarHBondContact CG-O 3.33Å; Q326-I454 PolarHBondContact N-O 3.32Å; F450-I454 HydrophobicContact CD1-CD1 4.28Å; S452-I454 PolarHBondContact O-N 3.44Å; S452-I454 VanDerWaalsContact O-N 3.12Å; I454-M458 HydrophobicContact CG2-CB 3.83Å; I454-M458 HydrophobicContact CG2-CE 4.32Å; I454-M458 HydrophobicContact CG2-SD 4.46Å; I454-I462 HydrophobicContact CD1-CD1 3.44Å; I454-I462 VanDerWaalsContact CD1-CD1 3.44Å; I454-I462 HydrophobicContact CD1-CG1 4Å; I454-I462 HydrophobicContact CG1-CD1 4.25Å; I454-I462 HydrophobicContact CG2-CD1 4.26Å
455P69.8Low80.6Confident39 Ų3944.7 Ų44.725%0.25327%0.269SS..  trans-59.6147.7177.7-2433.7000113S457 M458P455-S457 PolarHBondContact O-N 3.13Å; P455-M458 HydrophobicContact CG-SD 4.34Å; P455-M458 WeakPolarHBondContact O-CB 3.5Å; P455-M458 PolarHBondContact O-N 3.23Å
456S63.4Low80.8Confident57 Ų5741.2 Ų41.240%0.39925%0.254SS..G310 helixtrans-62.3-26.8178.957.20000113.6M458 A459S456-M458 PolarHBondContact O-N 3.24Å; S456-A459 VanDerWaalsContact O-CB 3.31Å; S456-A459 WeakPolarHBondContact O-CB 3.48Å; S456-A459 PolarHBondContact O-N 2.91Å; S456-A459 VanDerWaalsContact O-N 3.14Å
457S64.4Low81Confident109 Ų10938.9 Ų38.976%0.76224%0.244SC*.G310 helixtrans-61.3-23.2173.354.70000113.2P455P455-S457 PolarHBondContact O-N 3.13Å
458M66.9Low81.2Confident25 Ų2538.9 Ų38.912%0.12324%0.244CC..G310 helixtrans-96.8-9178.7-65.5-178.35300113.5Y252 L449 I454 P455 S456 G460 N461 I462 L465Y252-M458 HydrophobicContact CE1-CE 4.07Å; Y252-M458 WeakPolarHBondContact OH-CE 3.28Å; Y252-M458 PolarHBondContact OH-SD 2.98Å; L449-M458 HydrophobicContact CD1-CE 3.81Å; L449-M458 HydrophobicContact CD2-CE 4.12Å; L449-M458 HydrophobicContact CG-CE 4.38Å; I454-M458 HydrophobicContact CG2-CB 3.83Å; I454-M458 HydrophobicContact CG2-CE 4.32Å; I454-M458 HydrophobicContact CG2-SD 4.46Å; P455-M458 HydrophobicContact CG-SD 4.34Å; P455-M458 WeakPolarHBondContact O-CB 3.5Å; P455-M458 PolarHBondContact O-N 3.23Å; S456-M458 PolarHBondContact O-N 3.24Å; M458-G460 PolarHBondContact O-N 3.46Å; M458-G460 VanDerWaalsContact O-N 3.15Å; M458-N461 PolarHBondContact O-N 2.88Å; M458-I462 PolarHBondContact O-N 3.01Å; M458-L465 HydrophobicContact CE-CD1 3.79Å
459A60.9Low81.4Confident42 Ų4234.5 Ų34.535%0.34723%0.225SC..THydrogen-bonded Turntrans-60.2-28.7-17400000112.8S456 N461 I462S456-A459 VanDerWaalsContact O-CB 3.31Å; S456-A459 WeakPolarHBondContact O-CB 3.48Å; S456-A459 PolarHBondContact O-N 2.91Å; S456-A459 VanDerWaalsContact O-N 3.14Å; A459-N461 VanDerWaalsContact C-N 3.28Å; A459-N461 PolarHBondContact O-N 3.29Å; A459-I462 VanDerWaalsContact O-CG2 3.25Å; A459-I462 WeakPolarHBondContact O-CG2 3.42Å
460G68.6Low81.6Confident71 Ų7134.1 Ų34.173%0.73222%0.223SC*.THydrogen-bonded Turntrans-66.1-26.4175.700000114.3M458M458-G460 PolarHBondContact O-N 3.46Å; M458-G460 VanDerWaalsContact O-N 3.15Å
461N82.7Confident82Confident45 Ų4533.8 Ų33.824%0.24122%0.222CC..THydrogen-bonded Turntrans-109.4-1.3-177-72.2-22.5000113.4M458 A459 N463 K464 L465M458-N461 PolarHBondContact O-N 2.88Å; A459-N461 VanDerWaalsContact C-N 3.28Å; A459-N461 PolarHBondContact O-N 3.29Å; N461-N463 VanDerWaalsContact C-N 3.27Å; N461-N463 PolarHBondContact O-N 2.97Å; N461-K464 WeakPolarHBondContact O-CB 3.09Å; N461-K464 PolarHBondContact O-N 3.1Å; N461-L465 HydrophobicContact CB-CD1 4.48Å; N461-L465 WeakPolarHBondContact O-CG 3.39Å; N461-L465 PolarHBondContact O-N 3.23Å
462I87Confident82.5Confident3 Ų329.7 Ų29.72%0.01520%0.2CC..Hα-helixtrans-61.7-36-173.4-169.353000112.8L323 M347 L365 F450 I454 M458 A459 K464 L465 F466L323-I462 HydrophobicContact CD1-CD1 4.26Å; L323-I462 HydrophobicContact CD1-CG1 4.2Å; M347-I462 HydrophobicContact CE-CG2 4.44Å; M347-I462 HydrophobicContact SD-CG2 3.83Å; L365-I462 HydrophobicContact CD1-CB 4.49Å; L365-I462 HydrophobicContact CD1-CG1 3.94Å; L365-I462 HydrophobicContact CD1-CG2 4.04Å; F450-I462 HydrophobicContact CD1-CD1 4.35Å; F450-I462 HydrophobicContact CE1-CD1 3.86Å; I454-I462 HydrophobicContact CD1-CD1 3.44Å; I454-I462 VanDerWaalsContact CD1-CD1 3.44Å; I454-I462 HydrophobicContact CD1-CG1 4Å; I454-I462 HydrophobicContact CG1-CD1 4.25Å; I454-I462 HydrophobicContact CG2-CD1 4.26Å; M458-I462 PolarHBondContact O-N 3.01Å; A459-I462 VanDerWaalsContact O-CG2 3.25Å; A459-I462 WeakPolarHBondContact O-CG2 3.42Å; I462-K464 VanDerWaalsContact C-N 3.32Å; I462-K464 PolarHBondContact O-N 2.95Å; I462-L465 PolarHBondContact O-N 3.03Å; I462-F466 VanDerWaalsContact O-CB 3.3Å; I462-F466 WeakPolarHBondContact O-CB 3.34Å; I462-F466 PolarHBondContact O-N 3.24Å
463N89.8Confident83.4Confident39 Ų3926.9 Ų26.921%0.20918%0.18CC..Hα-helixtrans-60.8-43.2176.1-165.263.6000111.7S364 L365 N461 T467S364-N463 WeakPolarHBondContact CA-OD1 3.35Å; L365-N463 PolarHBondContact N-OD1 3.12Å; N461-N463 VanDerWaalsContact C-N 3.27Å; N461-N463 PolarHBondContact O-N 2.97Å; N463-T467 WeakPolarHBondContact O-CB 3.25Å; N463-T467 PolarHBondContact O-N 3.44Å; N463-T467 PolarHBondContact O-OG1 2.74Å
464K92.4Very high84.2Confident59 Ų5927.6 Ų27.626%0.25718%0.183SC..Hα-helixtrans-66.6-48178.1-62.5177.9-178.5168.30110.8D282 Y285 N461 I462 F466 T467 V468D282-K464 WeakPolarHBondContact OD1-CD 3.36Å; D282-K464 WeakPolarHBondContact OD1-CE 3.41Å; D282-K464 IonicContact OD1-NZ 2.65Å; D282-K464 PolarHBondContact OD1-NZ 3.15Å; D282-K464 IonicContact OD2-NZ 2.79Å; Y285-K464 HydrophobicContact CD1-CG 4.17Å; Y285-K464 HydrophobicContact CD2-CB 3.93Å; Y285-K464 HydrophobicContact CD2-CG 3.95Å; Y285-K464 HydrophobicContact CE1-CG 4.48Å; Y285-K464 HydrophobicContact CE2-CG 4.26Å; Y285-K464 HydrophobicContact CG-CB 4.07Å; Y285-K464 HydrophobicContact CG-CG 3.89Å; N461-K464 WeakPolarHBondContact O-CB 3.09Å; N461-K464 PolarHBondContact O-N 3.1Å; I462-K464 VanDerWaalsContact C-N 3.32Å; I462-K464 PolarHBondContact O-N 2.95Å; K464-F466 PolarHBondContact O-N 3.05Å; K464-T467 PolarHBondContact O-N 2.69Å; K464-V468 WeakPolarHBondContact O-CB 3.38Å; K464-V468 VanDerWaalsContact O-CG2 3.27Å; K464-V468 WeakPolarHBondContact O-CG2 3.39Å; K464-V468 PolarHBondContact O-N 3.22Å
465L93.3Very high85Confident4 Ų430.7 Ų30.72%0.02120%0.195CC..Hα-helixtrans-60.9-43.9179.3-69.3169000112.1F249 Y252 A281 L449 M458 N461 I462 A469F249-L465 HydrophobicContact CE2-CD2 3.81Å; F249-L465 HydrophobicContact CZ-CD2 4.12Å; Y252-L465 HydrophobicContact CE1-CD1 4.37Å; Y252-L465 HydrophobicContact CE1-CD2 4.39Å; A281-L465 HydrophobicContact CB-CD2 3.94Å; L449-L465 HydrophobicContact CD2-CD1 4.11Å; M458-L465 HydrophobicContact CE-CD1 3.79Å; N461-L465 HydrophobicContact CB-CD1 4.48Å; N461-L465 WeakPolarHBondContact O-CG 3.39Å; N461-L465 PolarHBondContact O-N 3.23Å; I462-L465 PolarHBondContact O-N 3.03Å; L465-A469 VanDerWaalsContact O-CB 3.32Å; L465-A469 WeakPolarHBondContact O-CB 3.28Å; L465-A469 PolarHBondContact O-N 3.45Å
466F93.9Very high86Confident0 Ų028.9 Ų28.90%018%0.183CC..Hα-helixtrans-62.7-47.5175.6176.8-106.7000111.6L323 V362 L365 V444 F450 I462 K464 V468 A469 C470L323-F466 HydrophobicContact CD1-CB 4.07Å; L323-F466 HydrophobicContact CD1-CD2 3.69Å; L323-F466 HydrophobicContact CD1-CE2 4.41Å; L323-F466 HydrophobicContact CD1-CG 4.03Å; L323-F466 HydrophobicContact CD2-CD2 4.28Å; L323-F466 HydrophobicContact CG-CD2 4.29Å; V362-F466 HydrophobicContact CG1-CD1 4.35Å; V362-F466 HydrophobicContact CG1-CE1 3.99Å; L365-F466 HydrophobicContact CD1-CB 3.91Å; L365-F466 HydrophobicContact CD1-CD1 4.42Å; L365-F466 HydrophobicContact CD1-CG 4.25Å; L365-F466 HydrophobicContact CD2-CB 4.46Å; L365-F466 HydrophobicContact CD2-CD1 3.58Å; L365-F466 HydrophobicContact CD2-CD2 4.41Å; L365-F466 HydrophobicContact CD2-CE1 3.83Å; L365-F466 HydrophobicContact CD2-CG 3.88Å; L365-F466 HydrophobicContact CD2-CZ 4.34Å; L365-F466 HydrophobicContact CG-CB 4.34Å; L365-F466 HydrophobicContact CG-CD1 3.92Å; L365-F466 HydrophobicContact CG-CG 4.23Å; V444-F466 HydrophobicContact CG1-CD2 4.36Å; V444-F466 HydrophobicContact CG1-CE2 4.09Å; F450-F466 HydrophobicContact CZ-CB 4.5Å; I462-F466 VanDerWaalsContact O-CB 3.3Å; I462-F466 WeakPolarHBondContact O-CB 3.34Å; I462-F466 PolarHBondContact O-N 3.24Å; K464-F466 PolarHBondContact O-N 3.05Å; F466-V468 PolarHBondContact O-N 3.25Å; F466-A469 PolarHBondContact O-N 3Å; F466-C470 VanDerWaalsContact CZ-SG 3.53Å; F466-C470 PolarHBondContact O-N 3.26Å; F466-C470 PolarHBondContact O-SG 3.01Å
467T94.8Very high86.7Confident15 Ų1527.4 Ų27.49%0.09217%0.17CC..Hα-helixtrans-60.6-48178.5-56.50000111.1Y285 V362 N463 K464 A469 C470 L471Y285-T467 HydrophobicContact CD2-CG2 3.96Å; Y285-T467 HydrophobicContact CE2-CG2 3.8Å; V362-T467 HydrophobicContact CG1-CG2 4.41Å; N463-T467 WeakPolarHBondContact O-CB 3.25Å; N463-T467 PolarHBondContact O-N 3.44Å; N463-T467 PolarHBondContact O-OG1 2.74Å; K464-T467 PolarHBondContact O-N 2.69Å; T467-A469 VanDerWaalsContact C-N 3.35Å; T467-A469 PolarHBondContact O-N 2.85Å; T467-C470 PolarHBondContact O-N 2.9Å; T467-L471 HydrophobicContact CG2-CD1 3.85Å; T467-L471 HydrophobicContact CG2-CG 4.33Å; T467-L471 VanDerWaalsContact O-CG 3.29Å; T467-L471 WeakPolarHBondContact O-CG 3.44Å; T467-L471 PolarHBondContact O-N 3Å
468V95.8Very high87Confident0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-58.6-46.1176.6169.10000111F249 L284 K464 F466 C470 L471 L472F249-V468 HydrophobicContact CE1-CG1 4Å; F249-V468 HydrophobicContact CZ-CG1 3.96Å; L284-V468 HydrophobicContact CB-CG1 3.9Å; L284-V468 HydrophobicContact CB-CG2 3.86Å; L284-V468 HydrophobicContact CD1-CG1 4.03Å; K464-V468 WeakPolarHBondContact O-CB 3.38Å; K464-V468 VanDerWaalsContact O-CG2 3.27Å; K464-V468 WeakPolarHBondContact O-CG2 3.39Å; K464-V468 PolarHBondContact O-N 3.22Å; F466-V468 PolarHBondContact O-N 3.25Å; V468-C470 VanDerWaalsContact C-N 3.33Å; V468-C470 PolarHBondContact O-N 2.94Å; V468-L471 PolarHBondContact O-N 3.32Å; V468-L472 HydrophobicContact CG1-CD1 3.63Å; V468-L472 HydrophobicContact CG1-CG 4.1Å; V468-L472 WeakPolarHBondContact O-CB 3.42Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.41Å; V468-L472 PolarHBondContact O-N 3.31Å
469A95.4Very high86.7Confident0 Ų033.5 Ų33.50%020%0.195CC..Hα-helixtrans-60-42.2177.600000112.4L253 V444 F450 L465 F466 T467 V473L253-A469 HydrophobicContact CD1-CB 4.26Å; L253-A469 HydrophobicContact CD2-CB 4.08Å; V444-A469 HydrophobicContact CG1-CB 4.26Å; F450-A469 HydrophobicContact CE2-CB 3.54Å; F450-A469 HydrophobicContact CZ-CB 3.89Å; L465-A469 VanDerWaalsContact O-CB 3.32Å; L465-A469 WeakPolarHBondContact O-CB 3.28Å; L465-A469 PolarHBondContact O-N 3.45Å; F466-A469 PolarHBondContact O-N 3Å; T467-A469 VanDerWaalsContact C-N 3.35Å; T467-A469 PolarHBondContact O-N 2.85Å; A469-V473 WeakPolarHBondContact O-CG2 3.36Å; A469-V473 PolarHBondContact O-N 3.27Å
470C94.7Very high86.3Confident0 Ų035.1 Ų35.10%020%0.197CC..Hα-helixtrans-63.2-46.4176.6-64.10000111.8M351 V362 V444 F466 T467 V468 V473M351-C470 HydrophobicContact CE-CB 4.04Å; M351-C470 WeakPolarHBondContact CE-SG 3.29Å; V362-C470 HydrophobicContact CB-CB 4.44Å; V362-C470 HydrophobicContact CG1-CB 3.95Å; V362-C470 HydrophobicContact CG2-CB 3.55Å; V444-C470 HydrophobicContact CG2-CB 4.39Å; F466-C470 VanDerWaalsContact CZ-SG 3.53Å; F466-C470 PolarHBondContact O-N 3.26Å; F466-C470 PolarHBondContact O-SG 3.01Å; T467-C470 PolarHBondContact O-N 2.9Å; V468-C470 VanDerWaalsContact C-N 3.33Å; V468-C470 PolarHBondContact O-N 2.94Å; C470-V473 WeakPolarHBondContact O-CB 3.41Å; C470-V473 PolarHBondContact O-N 3.18Å
471L95.2Very high87.2Confident7 Ų733.4 Ų33.44%0.03717%0.17CC..Hα-helixtrans-70.2-33.5-178.1-64177.3000112.6L288 I293 V362 T467 V468 V473 N474L288-L471 HydrophobicContact CB-CB 4.02Å; L288-L471 HydrophobicContact CB-CD1 3.55Å; L288-L471 HydrophobicContact CB-CG 4.41Å; L288-L471 HydrophobicContact CD1-CB 3.95Å; I293-L471 HydrophobicContact CD1-CD2 3.45Å; I293-L471 VanDerWaalsContact CD1-CD2 3.45Å; I293-L471 HydrophobicContact CG2-CD2 4.45Å; V362-L471 HydrophobicContact CG2-CD2 4.05Å; V362-L471 HydrophobicContact CG2-CG 4.49Å; T467-L471 HydrophobicContact CG2-CD1 3.85Å; T467-L471 HydrophobicContact CG2-CG 4.33Å; T467-L471 VanDerWaalsContact O-CG 3.29Å; T467-L471 WeakPolarHBondContact O-CG 3.44Å; T467-L471 PolarHBondContact O-N 3Å; V468-L471 PolarHBondContact O-N 3.32Å; L471-V473 PolarHBondContact O-N 3.14Å; L471-N474 PolarHBondContact O-N 3.24Å
472L95.4Very high87.4Confident0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-65-23.8175.9-76.9173.4000113F194 F203 L253 L288 V468 N474 Y475 Q476F194-L472 HydrophobicContact CZ-CD2 4.5Å; F203-L472 HydrophobicContact CE1-CD2 3.92Å; F203-L472 HydrophobicContact CE2-CD2 4.01Å; F203-L472 HydrophobicContact CZ-CD2 3.5Å; F203-L472 VanDerWaalsContact CZ-CD2 3.5Å; L253-L472 HydrophobicContact CD2-CD1 4.14Å; L288-L472 HydrophobicContact CD1-CD2 4.03Å; L288-L472 HydrophobicContact CD1-CG 4.09Å; V468-L472 HydrophobicContact CG1-CD1 3.63Å; V468-L472 HydrophobicContact CG1-CG 4.1Å; V468-L472 WeakPolarHBondContact O-CB 3.42Å; V468-L472 VanDerWaalsContact O-CG 3.25Å; V468-L472 WeakPolarHBondContact O-CG 3.41Å; V468-L472 PolarHBondContact O-N 3.31Å; L472-N474 PolarHBondContact O-N 2.96Å; L472-N474 VanDerWaalsContact O-N 3.14Å; L472-Y475 PolarHBondContact O-N 2.97Å; L472-Q476 HydrophobicContact CB-CG 4.35Å; L472-Q476 WeakPolarHBondContact O-CB 3.44Å; L472-Q476 VanDerWaalsContact O-CG 3.28Å; L472-Q476 WeakPolarHBondContact O-CG 3.28Å; L472-Q476 PolarHBondContact O-N 3.32Å
473V93.6Very high87.4Confident4 Ų434.4 Ų34.42%0.02418%0.175CC..Hα-helixtrans-56.2-33.8177.6176.50000111.8V359 V440 R443 V444 A469 C470 L471 Y475V359-V473 HydrophobicContact CG2-CB 4.41Å; V440-V473 HydrophobicContact CG1-CG1 4.09Å; R443-V473 HydrophobicContact CB-CG1 4.22Å; R443-V473 HydrophobicContact CB-CG2 4.31Å; V444-V473 HydrophobicContact CG2-CG2 3.61Å; A469-V473 WeakPolarHBondContact O-CG2 3.36Å; A469-V473 PolarHBondContact O-N 3.27Å; C470-V473 WeakPolarHBondContact O-CB 3.41Å; C470-V473 PolarHBondContact O-N 3.18Å; L471-V473 PolarHBondContact O-N 3.14Å; V473-Y475 PolarHBondContact O-N 3.47Å
474N93.1Very high87.3Confident58 Ų5834.1 Ų34.131%0.3117%0.173SC..Hα-helixtrans-64.3-19.5177.6-71-12.7000113.6V359 L471 L472V359-N474 WeakPolarHBondContact CB-OD1 3.46Å; V359-N474 PolarHBondContact N-OD1 3.14Å; V359-N474 PolarHBondContact O-ND2 3.03Å; L471-N474 PolarHBondContact O-N 3.24Å; L472-N474 PolarHBondContact O-N 2.96Å; L472-N474 VanDerWaalsContact O-N 3.14Å
475Y93.1Very high87Confident68 Ų6832.6 Ų32.627%0.26717%0.168SC..Hα-helixtrans-110.7-25.4-177.9-59.3-86.5000113.1F194 F203 L206 L288 L291 L472 V473F194-Y475 WeakPolarHBondContact CD1-O 2.99Å; F194-Y475 WeakPolarHBondContact CE1-O 3.41Å; F203-Y475 AromaticContact CD2-CD1 3.77Å; F203-Y475 HydrophobicContact CD2-CD1 3.77Å; F203-Y475 HydrophobicContact CD2-CD2 4.32Å; F203-Y475 HydrophobicContact CD2-CE1 4.34Å; F203-Y475 AromaticContact CD2-CG 3.75Å; F203-Y475 HydrophobicContact CD2-CG 3.75Å; F203-Y475 HydrophobicContact CE2-CD1 4.24Å; F203-Y475 HydrophobicContact CE2-CD2 4.1Å; F203-Y475 HydrophobicContact CE2-CE2 4.41Å; F203-Y475 HydrophobicContact CE2-CG 4.01Å; L206-Y475 HydrophobicContact CD2-CE1 3.84Å; L288-Y475 HydrophobicContact CD2-CE2 3.97Å; L291-Y475 VanDerWaalsContact CD1-OH 3.29Å; L291-Y475 WeakPolarHBondContact CD1-OH 3.5Å; L472-Y475 PolarHBondContact O-N 2.97Å; V473-Y475 PolarHBondContact O-N 3.47Å
476Q91.1Very high86.6Confident1 Ų134.5 Ų34.51%0.00518%0.178CC..Hα-helixtrans-78.2-35.7-172-80171.5-20.700113.4T192 R193 F194 E195 L472T192-Q476 PolarHBondContact O-NE2 3.28Å; T192-Q476 VanDerWaalsContact O-NE2 3.12Å; R193-Q476 HydrophobicContact CB-CG 4.22Å; R193-Q476 WeakPolarHBondContact O-CB 3.43Å; F194-Q476 CarbonylContact C-O 3.54Å; F194-Q476 WeakPolarHBondContact CA-O 3.32Å; F194-Q476 HydrophobicContact CD1-CG 4.18Å; F194-Q476 HydrophobicContact CD2-CG 3.79Å; F194-Q476 HydrophobicContact CE1-CG 4.13Å; F194-Q476 HydrophobicContact CE2-CG 3.74Å; F194-Q476 HydrophobicContact CG-CG 4.02Å; F194-Q476 HydrophobicContact CZ-CG 3.91Å; E195-Q476 PolarHBondContact N-O 3.4Å; L472-Q476 HydrophobicContact CB-CG 4.35Å; L472-Q476 WeakPolarHBondContact O-CB 3.44Å; L472-Q476 VanDerWaalsContact O-CG 3.28Å; L472-Q476 WeakPolarHBondContact O-CG 3.28Å; L472-Q476 PolarHBondContact O-N 3.32Å
477N79.3Confident86.1Confident26 Ų2636.9 Ų36.914%0.13919%0.19CC..SBendtrans-115161.7-169.4-63-81.2000111.3
478K69.3Low85.4Confident142 Ų14238.6 Ų38.662%0.61720%0.198SC*.  trans-63.7150.8163.2-66.5177.8-1771710109.6R443R443-K478 PolarHBondContact NH1-O 3.47Å
479P60.6Low84.5Confident119 Ų11941.8 Ų41.877%0.77322%0.215SC*.  trans-48144.5167.6-24.433.6000110.5
480L53.4Low83.5Confident77 Ų7745.6 Ų45.640%0.40323%0.234SC..  trans-65.80-173.4-92.2171000113.7R439 V440R439-L480 HydrophobicContact CB-CD2 4.06Å; V440-L480 HydrophobicContact CG2-CD1 3.44Å; V440-L480 VanDerWaalsContact CG2-CD1 3.44Å

Retrieved 480 of 480 residues in 269.2 ms (Link to these results)