A0A087X4V3_POEFO Loading...

Proton-coupled zinc antiporter SLC30A8

Proton-coupled zinc ion antiporter mediating the entry of zinc into the lumen of pancreatic beta cell secretory granules, thereby regulating insulin secretion.

AlphaFold DB , UniProt , Accession A0A087X4V3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 373 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.6Very low40.8Very low237 Ų237153 Ų153100%1.16771%0.713SS**  082.80-171.4167.2161.200108.5
2F30.4Very low41.3Very low210 Ų210149.3 Ų149.392%0.92170%0.7SS**  trans-117.7130.3-180-77.2-80.2000109.3S4F2-S4 PolarHBondContact O-N 3.16Å
3K35.4Very low41.5Very low205 Ų205146.5 Ų146.589%0.89169%0.692SS**  trans-67.2115.6-168.3-94.5171172.2169.30112K5K3-K5 PolarHBondContact O-N 2.82Å
4S42.6Very low41.2Very low73 Ų73140.3 Ų140.351%0.5168%0.677SS.*  trans-65.897.5163158.10000111F2F2-S4 PolarHBondContact O-N 3.16Å
5K40.2Very low40.9Very low177 Ų177139.7 Ų139.777%0.7767%0.673SS**  trans-136.846.7168.1-85.2-165.3174.6-171.60111.5K3K3-K5 PolarHBondContact O-N 2.82Å
6D49.1Very low40.7Very low85 Ų85137.4 Ų137.446%0.45566%0.661SS.*  trans-103.5115.4170.4-151.3-25.4000109.5E8 R9 R10D6-E8 VanDerWaalsContact C-N 3.29Å; D6-E8 PolarHBondContact O-N 3.03Å; D6-R9 HydrophobicContact CB-CB 4.1Å; D6-R9 PolarHBondContact O-N 3.26Å; D6-R10 PolarHBondContact O-N 3.41Å
7P45.8Very low40.2Very low94 Ų94135.2 Ų135.261%0.6166%0.663SS**Hα-helixtrans-64.5-29.2-17923.3-31.6000113.2R9 R10 H11P7-R9 VanDerWaalsContact C-N 3.34Å; P7-R9 PolarHBondContact O-N 3.15Å; P7-R10 PolarHBondContact O-N 3.42Å; P7-H11 PolarHBondContact O-N 3.39Å
8E46Very low39.5Very low149 Ų149137.7 Ų137.770%0.69667%0.67SS**Hα-helixtrans-65.6-39.1175.9-69.3-174.5170.700111.6D6 R10 H11 I12D6-E8 VanDerWaalsContact C-N 3.29Å; D6-E8 PolarHBondContact O-N 3.03Å; E8-R10 VanDerWaalsContact C-N 3.26Å; E8-R10 PolarHBondContact O-N 3.15Å; E8-H11 PolarHBondContact O-N 3.27Å; E8-I12 PolarHBondContact O-N 3.38Å
9R45.1Very low39Very low161 Ų161134.7 Ų134.761%0.60867%0.67SS**Hα-helixtrans-68.2-24.7179-150.6176.1-166.5-120.12.8112.9D6 P7 L13D6-R9 HydrophobicContact CB-CB 4.1Å; D6-R9 PolarHBondContact O-N 3.26Å; P7-R9 VanDerWaalsContact C-N 3.34Å; P7-R9 PolarHBondContact O-N 3.15Å; R9-L13 WeakPolarHBondContact O-CD1 3.42Å; R9-L13 WeakPolarHBondContact O-CG 3.33Å; R9-L13 PolarHBondContact O-N 3.31Å
10R40.8Very low38.7Very low161 Ų161135.9 Ų135.961%0.60867%0.667SS**Hα-helixtrans-74.2-35174.2-74.2-176.2178.1177-2.1112.3D6 P7 E8 L13 A14D6-R10 PolarHBondContact O-N 3.41Å; P7-R10 PolarHBondContact O-N 3.42Å; E8-R10 VanDerWaalsContact C-N 3.26Å; E8-R10 PolarHBondContact O-N 3.15Å; R10-L13 PolarHBondContact O-N 2.85Å; R10-A14 WeakPolarHBondContact O-CB 3.42Å; R10-A14 PolarHBondContact O-N 3.39Å
11H40.2Very low38.3Very low131 Ų131134.4 Ų134.461%0.60667%0.67SS**Hα-helixtrans-65.6-43.6175.5-112-85.5000111.1P7 E8 L13 A14 E15P7-H11 PolarHBondContact O-N 3.39Å; E8-H11 PolarHBondContact O-N 3.27Å; H11-L13 VanDerWaalsContact C-N 3.34Å; H11-L13 PolarHBondContact O-N 3.2Å; H11-A14 PolarHBondContact O-N 3.48Å; H11-E15 WeakPolarHBondContact O-CB 3.42Å; H11-E15 PolarHBondContact O-N 3.31Å
12I46.8Very low38.1Very low109 Ų109130.9 Ų130.956%0.55966%0.655SS**Hα-helixtrans-61.4-40.7177.1-60.7169.9000111.7E8 H16E8-I12 PolarHBondContact O-N 3.38Å; I12-H16 WeakPolarHBondContact O-CB 2.93Å; I12-H16 PolarHBondContact O-N 3.03Å
13L43.4Very low38.3Very low113 Ų113127.2 Ų127.259%0.59265%0.652SS**Hα-helixtrans-75.5-32.1177.9-71.5167.7000113.3R9 R10 H11R9-L13 WeakPolarHBondContact O-CD1 3.42Å; R9-L13 WeakPolarHBondContact O-CG 3.33Å; R9-L13 PolarHBondContact O-N 3.31Å; R10-L13 PolarHBondContact O-N 2.85Å; H11-L13 VanDerWaalsContact C-N 3.34Å; H11-L13 PolarHBondContact O-N 3.2Å
14A37.5Very low38.1Very low59 Ų59120.1 Ų120.149%0.48864%0.638SS.*Hα-helixtrans-79.9-34-179.300000112.8R10 H11 S17R10-A14 WeakPolarHBondContact O-CB 3.42Å; R10-A14 PolarHBondContact O-N 3.39Å; H11-A14 PolarHBondContact O-N 3.48Å; A14-S17 PolarHBondContact O-N 3.4Å
15E36.2Very low37.8Very low131 Ų131122.7 Ų122.761%0.61266%0.656SS**Hα-helixtrans-72.7-35.3173.4-82.3-177.6141.500112.3H11 S17 K18 A19H11-E15 WeakPolarHBondContact O-CB 3.42Å; H11-E15 PolarHBondContact O-N 3.31Å; E15-S17 PolarHBondContact O-N 3.05Å; E15-S17 VanDerWaalsContact O-N 3.14Å; E15-K18 PolarHBondContact O-N 3.24Å; E15-K18 VanDerWaalsContact O-N 3.09Å; E15-A19 PolarHBondContact O-N 3.19Å; E15-A19 VanDerWaalsContact O-N 3.08Å
16H37.6Very low37.7Very low104 Ų104119.4 Ų119.448%0.48165%0.65SS.*Hα-helixtrans-58.1-26.9172.1-115.8-90.3000113.1I12I12-H16 WeakPolarHBondContact O-CB 2.93Å; I12-H16 PolarHBondContact O-N 3.03Å
17S33.2Very low37.1Very low100 Ų100119 Ų11970%0.69965%0.653SS**THydrogen-bonded Turntrans-84.8-17.7178.9177.50000114.2A14 E15A14-S17 PolarHBondContact O-N 3.4Å; E15-S17 PolarHBondContact O-N 3.05Å; E15-S17 VanDerWaalsContact O-N 3.14Å
18K28Very low36.5Very low179 Ų179120.1 Ų120.178%0.77865%0.653SS**THydrogen-bonded Turntrans-115.4-14-173.9-80.3-175.1176.5-178.80114.7E15E15-K18 PolarHBondContact O-N 3.24Å; E15-K18 VanDerWaalsContact O-N 3.09Å
19A28.9Very low36.3Very low81 Ų81119.2 Ų119.267%0.66965%0.649SS**SBendtrans-86-6.5-179.900000115E15E15-A19 PolarHBondContact O-N 3.19Å; E15-A19 VanDerWaalsContact O-N 3.08Å
20Y33.8Very low36Very low159 Ų159119.2 Ų119.262%0.62466%0.656SS**  trans-110.651.7-176-73.2-80.8000114
21S30.6Very low35.7Very low105 Ų105117.9 Ų117.973%0.73466%0.656SS**  trans-128.473.2165.854.60000110.9
22L28.8Very low35.7Very low163 Ų163115.7 Ų115.785%0.85365%0.649SS**SBendtrans-133.8143.8154-87.2166.7000108.5G24L22-G24 PolarHBondContact O-N 2.95Å
23P33.7Very low35.3Very low132 Ų132118.2 Ų118.286%0.85766%0.658SS**SBendtrans-81.9104.9-164.632.2-31.7000110.8
24G31.9Very low34.9Very low57 Ų57121.9 Ų121.959%0.58867%0.669SS**SBendtrans-176.8112171.700000107.1L22 V26L22-G24 PolarHBondContact O-N 2.95Å; G24-V26 PolarHBondContact O-N 3.23Å
25S37Very low34.8Very low126 Ų126125 Ų12588%0.88168%0.678SS**  trans-54.594.7-172.450.20000112.7
26V37Very low35Very low109 Ų109122.1 Ų122.166%0.66168%0.683SS**PPolyproline II helixtrans-89126.1159.1-176.90000106.3G24G24-V26 PolarHBondContact O-N 3.23Å
27P36.8Very low35.5Very low77 Ų77122.2 Ų122.250%0.569%0.691SS.*PPolyproline II helixtrans-60.6144.5-178.7-1425.9000110.4H29 L32P27-H29 PolarHBondContact O-N 3.05Å; P27-L32 HydrophobicContact CB-CD1 3.92Å; P27-L32 HydrophobicContact CG-CD1 4.28Å
28N33.9Very low36Very low117 Ų117122.4 Ų122.463%0.62668%0.68SS**PPolyproline II helixtrans-56137.9178.5-97.5-27.1000110.9E30 E31 L32N28-E30 PolarHBondContact O-N 3.48Å; N28-E31 PolarHBondContact O-N 3.26Å; N28-L32 PolarHBondContact O-N 3.35Å
29H41.3Very low37.2Very low129 Ų129120.8 Ų120.860%0.59767%0.673SS**Hα-helixtrans-55.5-24.2178.5-116.1-75.5000113.4P27P27-H29 PolarHBondContact O-N 3.05Å
30E39.3Very low38.5Very low161 Ų161121.4 Ų121.475%0.75266%0.661SS**Hα-helixtrans-77.3-23.9174.5-72.1-176144.700113.7N28N28-E30 PolarHBondContact O-N 3.48Å
31E34.6Very low39.6Very low134 Ų134118.1 Ų118.163%0.62666%0.661SS**Hα-helixtrans-83.7-32.9176.5-74.6-173.413800112.3N28 Q33 K34N28-E31 PolarHBondContact O-N 3.26Å; E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 3.13Å; E31-K34 PolarHBondContact O-N 3.33Å
32L39.3Very low41Very low85 Ų85120.2 Ų120.245%0.44566%0.658SS.*Hα-helixtrans-70.7-20.5175.2-86.1134.9000113.8P27 N28 K34P27-L32 HydrophobicContact CB-CD1 3.92Å; P27-L32 HydrophobicContact CG-CD1 4.28Å; N28-L32 PolarHBondContact O-N 3.35Å; L32-K34 VanDerWaalsContact C-N 3.34Å
33Q37.8Very low42.5Very low161 Ų161115.6 Ų115.675%0.75264%0.635SS**G310 helixtrans-79.6-17.4179.3-147.8172.32400112.9E31 D35E31-Q33 VanDerWaalsContact C-N 3.28Å; E31-Q33 PolarHBondContact O-N 3.13Å; Q33-D35 VanDerWaalsContact C-N 3.31Å; Q33-D35 PolarHBondContact O-N 3.15Å
34K36.6Very low43.8Very low190 Ų190111.7 Ų111.783%0.82661%0.607SS**G310 helixtrans-73.4-17.6179.8-94.2178.8176173.10114.3E31 L32E31-K34 PolarHBondContact O-N 3.33Å; L32-K34 VanDerWaalsContact C-N 3.34Å
35D34Very low45.1Very low126 Ų126111.9 Ų111.967%0.67460%0.599SS**G310 helixtrans-97.52.7-169-148.528.8000114.2Q33 T37Q33-D35 VanDerWaalsContact C-N 3.31Å; Q33-D35 PolarHBondContact O-N 3.15Å; D35-T37 PolarHBondContact O-N 3.01Å; D35-T37 PolarHBondContact O-OG1 3.48Å
36G42Very low46.3Very low70 Ų70112.5 Ų112.572%0.72259%0.586SS**SBendtrans62.93.1175.400000115.8
37T46.6Very low47.7Very low105 Ų105107.9 Ų107.964%0.64456%0.559SS**  trans-90.5-9.8-175.5350000113.5D35D35-T37 PolarHBondContact O-N 3.01Å; D35-T37 PolarHBondContact O-OG1 3.48Å
38F45Very low49.3Very low105 Ų105109.7 Ų109.746%0.46156%0.561SS.*  trans-107.695.7-178.4-159.3-93.1000112.1
39K52.3Low51.2Low145 Ų145109.8 Ų109.863%0.6356%0.558SS**  trans-84.9110.4169.1-69.5-177.3-178.8176.50109.4D43K39-D43 WeakPolarHBondContact CA-OD2 3.37Å; K39-D43 HydrophobicContact CB-CB 4Å; K39-D43 HydrophobicContact CG-CB 4.24Å
40H55.5Low52.8Low94 Ų94108 Ų10844%0.43555%0.553SS.*  trans-64.2156.5168.877.4-69.6000110H42 D43H40-H42 WeakPolarHBondContact NE2-CB 3.39Å; H40-H42 PolarHBondContact O-N 3.16Å; H40-D43 VanDerWaalsContact CE1-CA 3.46Å; H40-D43 WeakPolarHBondContact CE1-CA 3.47Å; H40-D43 PolarHBondContact CE1-N 3.45Å; H40-D43 IonicContact CE1-OD1 2.91Å; H40-D43 PolarHBondContact CE1-OD1 3.25Å; H40-D43 WeakPolarHBondContact ND1-CB 3.47Å; H40-D43 VanDerWaalsContact ND1-CG 3.3Å; H40-D43 IonicContact ND1-OD1 3.85Å; H40-D43 PolarHBondContact ND1-OD1 3.43Å; H40-D43 IonicContact ND1-OD2 3.02Å; H40-D43 WeakPolarHBondContact O-CB 3.43Å; H40-D43 PolarHBondContact O-N 3.43Å
41C57.5Low54.5Low90 Ų90102.2 Ų102.261%0.60852%0.524SS*.THydrogen-bonded Turntrans-59.8-3.7-172.8-56.80000115.5
42H61.1Low56.7Low149 Ų149100.4 Ų100.469%0.6952%0.516SS*.THydrogen-bonded Turntrans-120.918.4175.3-56.8-63.6000114.4H40 N44H40-H42 WeakPolarHBondContact NE2-CB 3.39Å; H40-H42 PolarHBondContact O-N 3.16Å; H42-N44 PolarHBondContact O-N 2.82Å
43D58.8Low58.8Low66 Ų66100 Ų10035%0.35352%0.517SS..  trans-7315-176.3-132.89.8000115.1K39 H40 S45K39-D43 WeakPolarHBondContact CA-OD2 3.37Å; K39-D43 HydrophobicContact CB-CB 4Å; K39-D43 HydrophobicContact CG-CB 4.24Å; H40-D43 VanDerWaalsContact CE1-CA 3.46Å; H40-D43 WeakPolarHBondContact CE1-CA 3.47Å; H40-D43 PolarHBondContact CE1-N 3.45Å; H40-D43 IonicContact CE1-OD1 2.91Å; H40-D43 PolarHBondContact CE1-OD1 3.25Å; H40-D43 WeakPolarHBondContact ND1-CB 3.47Å; H40-D43 VanDerWaalsContact ND1-CG 3.3Å; H40-D43 IonicContact ND1-OD1 3.85Å; H40-D43 PolarHBondContact ND1-OD1 3.43Å; H40-D43 IonicContact ND1-OD2 3.02Å; H40-D43 WeakPolarHBondContact O-CB 3.43Å; H40-D43 PolarHBondContact O-N 3.43Å; D43-S45 PolarHBondContact O-N 3.39Å
44N61.4Low60.8Low50 Ų5095 Ų9527%0.26749%0.493SS..  trans-86.129.6177.7-13611.1000112.2H42 F46 A47 Q48 F348H42-N44 PolarHBondContact O-N 2.82Å; N44-F46 PolarHBondContact O-N 3.34Å; N44-A47 HydrophobicContact CB-CB 4.45Å; N44-A47 WeakPolarHBondContact O-CB 3.41Å; N44-A47 PolarHBondContact O-N 3.29Å; N44-Q48 PolarHBondContact O-N 3.01Å; N44-F348 PolarHBondContact ND2-O 2.91Å
45S59.6Low63Low60 Ų6087.8 Ų87.842%0.4246%0.462SS..Hα-helixtrans-54.8-36.5-178.256.60000112.8D43 Q48 Q49D43-S45 PolarHBondContact O-N 3.39Å; S45-Q48 PolarHBondContact O-N 2.94Å; S45-Q49 WeakPolarHBondContact O-CB 3.36Å; S45-Q49 PolarHBondContact O-N 3.46Å
46F62.9Low65.5Low139 Ų13988.8 Ų88.861%0.6146%0.46SS*.Hα-helixtrans-61.1-43.9173.6-66.5-73.6000112.5N44 Q48 Q49 D50N44-F46 PolarHBondContact O-N 3.34Å; F46-Q48 VanDerWaalsContact C-N 3.29Å; F46-Q48 PolarHBondContact O-N 2.85Å; F46-Q49 PolarHBondContact O-N 3.43Å; F46-D50 WeakPolarHBondContact O-CB 3.48Å; F46-D50 PolarHBondContact O-N 3.14Å
47A66.3Low67.7Low13 Ų1388.5 Ų88.511%0.10744%0.444CS..Hα-helixtrans-66.6-32.2178.100000112.1N44 R51N44-A47 HydrophobicContact CB-CB 4.45Å; N44-A47 WeakPolarHBondContact O-CB 3.41Å; N44-A47 PolarHBondContact O-N 3.29Å; A47-R51 WeakPolarHBondContact O-CD 3.42Å; A47-R51 WeakPolarHBondContact O-CG 3.06Å; A47-R51 PolarHBondContact O-N 2.87Å
48Q70.3Confident69.6Low114 Ų11483.7 Ų83.753%0.53342%0.415SS..Hα-helixtrans-70.7-43.5173.4-175.7173.2-22.200111.7N44 S45 F46 R51 E52N44-Q48 PolarHBondContact O-N 3.01Å; S45-Q48 PolarHBondContact O-N 2.94Å; F46-Q48 VanDerWaalsContact C-N 3.29Å; F46-Q48 PolarHBondContact O-N 2.85Å; Q48-R51 PolarHBondContact O-N 3.19Å; Q48-E52 PolarHBondContact O-N 2.94Å
49Q72.7Confident71.7Confident119 Ų11981.2 Ų81.256%0.55641%0.411SS*.Hα-helixtrans-66.2-39.3179-170.3173.56.900112.7S45 F46 R51 E52 T53S45-Q49 WeakPolarHBondContact O-CB 3.36Å; S45-Q49 PolarHBondContact O-N 3.46Å; F46-Q49 PolarHBondContact O-N 3.43Å; Q49-R51 VanDerWaalsContact C-N 3.34Å; Q49-E52 PolarHBondContact O-N 3.39Å; Q49-T53 PolarHBondContact O-N 3.1Å; Q49-T53 PolarHBondContact O-OG1 3.08Å
50D74.9Confident73.5Confident93 Ų9383.6 Ų83.650%0.49742%0.416SS..Hα-helixtrans-60.4-45.5174.3-71.6-17.8000110.5F46 E52 T53 E54F46-D50 WeakPolarHBondContact O-CB 3.48Å; F46-D50 PolarHBondContact O-N 3.14Å; D50-E52 PolarHBondContact O-N 2.82Å; D50-T53 WeakPolarHBondContact O-CB 3.2Å; D50-T53 PolarHBondContact O-N 2.73Å; D50-T53 VanDerWaalsContact O-N 3.15Å; D50-E54 WeakPolarHBondContact O-CG 3.48Å; D50-E54 PolarHBondContact O-N 3.26Å
51R75.5Confident75.1Confident39 Ų3982.7 Ų82.715%0.14741%0.409CS..Hα-helixtrans-62.7-42.5177.5-73.8169.7-179.3162.32.7113A47 Q48 Q49 T53 E54 K55 N315A47-R51 WeakPolarHBondContact O-CD 3.42Å; A47-R51 WeakPolarHBondContact O-CG 3.06Å; A47-R51 PolarHBondContact O-N 2.87Å; Q48-R51 PolarHBondContact O-N 3.19Å; Q49-R51 VanDerWaalsContact C-N 3.34Å; R51-T53 VanDerWaalsContact C-N 3.25Å; R51-T53 PolarHBondContact O-N 3.01Å; R51-E54 PolarHBondContact O-N 3.47Å; R51-K55 VanDerWaalsContact O-CB 3.25Å; R51-K55 WeakPolarHBondContact O-CB 3.48Å; R51-K55 PolarHBondContact O-N 2.74Å; R51-N315 PolarHBondContact NH2-O 3.09Å
52E80.8Confident76.7Confident96 Ų9678.4 Ų78.445%0.44938%0.38SS..Hα-helixtrans-61.7-37.7175.2-74.6-173.3-172.800111.7Q48 Q49 D50 K56Q48-E52 PolarHBondContact O-N 2.94Å; Q49-E52 PolarHBondContact O-N 3.39Å; D50-E52 PolarHBondContact O-N 2.82Å; E52-K56 WeakPolarHBondContact O-CG 3.26Å; E52-K56 PolarHBondContact O-N 3.14Å
53T83Confident78.2Confident76 Ų7678 Ų7847%0.46637%0.373SS..Hα-helixtrans-68.2-48.5177.2-550000111Q49 D50 R51 K55 K56 V57Q49-T53 PolarHBondContact O-N 3.1Å; Q49-T53 PolarHBondContact O-OG1 3.08Å; D50-T53 WeakPolarHBondContact O-CB 3.2Å; D50-T53 PolarHBondContact O-N 2.73Å; D50-T53 VanDerWaalsContact O-N 3.15Å; R51-T53 VanDerWaalsContact C-N 3.25Å; R51-T53 PolarHBondContact O-N 3.01Å; T53-K55 VanDerWaalsContact C-N 3.26Å; T53-K55 PolarHBondContact O-N 3.13Å; T53-K56 PolarHBondContact O-N 2.88Å; T53-V57 WeakPolarHBondContact O-CG2 3.3Å; T53-V57 PolarHBondContact O-N 3.09Å
54E80.9Confident79.9Confident57 Ų5777.5 Ų77.527%0.26637%0.373SS..Hα-helixtrans-54.9-43.3174.3-74.2172179.400111.5D50 R51 V57 A58 Q212D50-E54 WeakPolarHBondContact O-CG 3.48Å; D50-E54 PolarHBondContact O-N 3.26Å; R51-E54 PolarHBondContact O-N 3.47Å; E54-V57 PolarHBondContact O-N 3.28Å; E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.29Å; E54-A58 PolarHBondContact O-N 2.84Å; E54-Q212 WeakPolarHBondContact OE1-CG 3.3Å; E54-Q212 PolarHBondContact OE1-NE2 3.15Å
55K82.5Confident81.3Confident38 Ų3875.1 Ų75.117%0.16536%0.36CS..Hα-helixtrans-65.8-41.2178.2-175.2169.6-175.6158.70113.3R51 T53 V57 A58 S59 L109 S112 S113 E128R51-K55 VanDerWaalsContact O-CB 3.25Å; R51-K55 WeakPolarHBondContact O-CB 3.48Å; R51-K55 PolarHBondContact O-N 2.74Å; T53-K55 VanDerWaalsContact C-N 3.26Å; T53-K55 PolarHBondContact O-N 3.13Å; K55-V57 VanDerWaalsContact C-N 3.33Å; K55-A58 WeakPolarHBondContact O-CB 3.38Å; K55-A58 PolarHBondContact O-N 3.49Å; K55-S59 WeakPolarHBondContact O-CB 3.21Å; K55-S59 PolarHBondContact O-N 2.67Å; K55-L109 WeakPolarHBondContact CE-O 3.45Å; K55-L109 HydrophobicContact CG-CD2 4.43Å; K55-L109 PolarHBondContact NZ-O 3.37Å; K55-S112 PolarHBondContact NZ-O 3.31Å; K55-S112 VanDerWaalsContact NZ-O 3.13Å; K55-S112 PolarHBondContact NZ-OG 3.2Å; K55-S113 VanDerWaalsContact NZ-CA 3.26Å; K55-E128 IonicContact NZ-OE1 3.76Å
56K86.8Confident82.9Confident146 Ų14672.8 Ų72.864%0.63534%0.343SS*.Hα-helixtrans-62.9-42.3174.2-74.9172.4-174.5172.10111.2E52 T53 S59 R60E52-K56 WeakPolarHBondContact O-CG 3.26Å; E52-K56 PolarHBondContact O-N 3.14Å; T53-K56 PolarHBondContact O-N 2.88Å; K56-S59 PolarHBondContact O-N 3.2Å; K56-R60 WeakPolarHBondContact O-CB 3.27Å; K56-R60 PolarHBondContact O-N 3.34Å
57V87.3Confident84.4Confident64 Ų6469.5 Ų69.539%0.38833%0.332SS..Hα-helixtrans-63-47175.7173.60000110.8T53 E54 K55 R60 R61T53-V57 WeakPolarHBondContact O-CG2 3.3Å; T53-V57 PolarHBondContact O-N 3.09Å; E54-V57 PolarHBondContact O-N 3.28Å; K55-V57 VanDerWaalsContact C-N 3.33Å; V57-R60 PolarHBondContact O-N 3.31Å; V57-R61 WeakPolarHBondContact O-CG 3.4Å; V57-R61 PolarHBondContact O-N 3.06Å
58A86.1Confident85.7Confident5 Ų570.4 Ų70.44%0.04133%0.334CS..Hα-helixtrans-56.4-50175.800000112.5E54 K55 R60 R61 L62 L109 N215 V218E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.29Å; E54-A58 PolarHBondContact O-N 2.84Å; K55-A58 WeakPolarHBondContact O-CB 3.38Å; K55-A58 PolarHBondContact O-N 3.49Å; A58-R60 PolarHBondContact O-N 3.41Å; A58-R61 PolarHBondContact O-N 3.43Å; A58-L62 PolarHBondContact O-N 2.95Å; A58-L109 HydrophobicContact CB-CD1 4.3Å; A58-N215 WeakPolarHBondContact CB-ND2 3.34Å; A58-V218 HydrophobicContact CB-CG2 3.37Å
59S89.8Confident86.7Confident52 Ų5265 Ų6536%0.36431%0.309SS..Hα-helixtrans-60.2-45.4178.6-179.20000111.6K55 K56 R61 L62 Y63K55-S59 WeakPolarHBondContact O-CB 3.21Å; K55-S59 PolarHBondContact O-N 2.67Å; K56-S59 PolarHBondContact O-N 3.2Å; S59-R61 PolarHBondContact O-N 3.42Å; S59-L62 PolarHBondContact O-N 2.92Å; S59-Y63 WeakPolarHBondContact O-CB 3.33Å; S59-Y63 PolarHBondContact O-N 3.26Å
60R90.7Very high87.7Confident195 Ų19562.8 Ų62.874%0.73630%0.3SS*.Hα-helixtrans-61-43.3177.2-174.7178.6176.4-170.5-1.1112.1K56 V57 A58 Y63 V64K56-R60 WeakPolarHBondContact O-CB 3.27Å; K56-R60 PolarHBondContact O-N 3.34Å; V57-R60 PolarHBondContact O-N 3.31Å; A58-R60 PolarHBondContact O-N 3.41Å; R60-Y63 PolarHBondContact O-N 3.38Å; R60-V64 VanDerWaalsContact O-CG2 3.31Å; R60-V64 WeakPolarHBondContact O-CG2 3.42Å; R60-V64 PolarHBondContact O-N 3.11Å
61R89.2Confident88.6Confident75 Ų7563.9 Ų63.928%0.28331%0.306SS..Hα-helixtrans-63.9-48.9178.9-72.8179-176.5172.63111.8V57 A58 S59 Y63 V64 V65 L184V57-R61 WeakPolarHBondContact O-CG 3.4Å; V57-R61 PolarHBondContact O-N 3.06Å; A58-R61 PolarHBondContact O-N 3.43Å; S59-R61 PolarHBondContact O-N 3.42Å; R61-Y63 VanDerWaalsContact C-N 3.29Å; R61-Y63 PolarHBondContact O-N 3.24Å; R61-V64 PolarHBondContact O-N 3.4Å; R61-V65 WeakPolarHBondContact O-CG2 3.49Å; R61-V65 PolarHBondContact O-N 3.01Å; R61-L184 HydrophobicContact CB-CD1 4.29Å
62L90.3Very high89.3Confident0 Ų065.1 Ų65.10%031%0.312CS..Hα-helixtrans-60.6-40.6177.5-75.6167.9000111.6A58 S59 V64 V65 S66 F102 L106 L109 L184 V218 A221A58-L62 PolarHBondContact O-N 2.95Å; S59-L62 PolarHBondContact O-N 2.92Å; L62-V64 PolarHBondContact O-N 3Å; L62-V65 PolarHBondContact O-N 2.86Å; L62-S66 WeakPolarHBondContact O-CB 3.38Å; L62-S66 PolarHBondContact O-N 3.05Å; L62-S66 PolarHBondContact O-OG 2.92Å; L62-F102 HydrophobicContact CD2-CD1 4.43Å; L62-L106 HydrophobicContact CB-CD2 3.61Å; L62-L106 HydrophobicContact CB-CG 3.89Å; L62-L106 HydrophobicContact CD1-CD2 4.5Å; L62-L109 HydrophobicContact CD1-CD1 3.4Å; L62-L109 VanDerWaalsContact CD1-CD1 3.4Å; L62-L184 HydrophobicContact CD2-CD1 4.45Å; L62-V218 HydrophobicContact CD1-CG2 4.19Å; L62-A221 HydrophobicContact CD2-CB 3.53Å
63Y93.6Very high89.8Confident141 Ų14161.4 Ų61.455%0.55330%0.295SS*.Hα-helixtrans-61.4-43.8176.1-174-103.3000112.5S59 R60 R61 S66 I67S59-Y63 WeakPolarHBondContact O-CB 3.33Å; S59-Y63 PolarHBondContact O-N 3.26Å; R60-Y63 PolarHBondContact O-N 3.38Å; R61-Y63 VanDerWaalsContact C-N 3.29Å; R61-Y63 PolarHBondContact O-N 3.24Å; Y63-S66 PolarHBondContact O-N 3.1Å; Y63-I67 HydrophobicContact CD1-CD1 3.79Å; Y63-I67 HydrophobicContact CE1-CD1 3.3Å; Y63-I67 HydrophobicContact CE1-CG1 4.37Å; Y63-I67 HydrophobicContact CE2-CD1 4.46Å; Y63-I67 WeakPolarHBondContact O-CG1 3.41Å; Y63-I67 PolarHBondContact O-N 3.36Å; Y63-I67 VanDerWaalsContact O-N 3.08Å
64V92.6Very high90.2Very high56 Ų5662.3 Ų62.334%0.33930%0.296SS..Hα-helixtrans-63-46.1175.8173.50000111R60 R61 L62 S66 I67 I68 T183R60-V64 VanDerWaalsContact O-CG2 3.31Å; R60-V64 WeakPolarHBondContact O-CG2 3.42Å; R60-V64 PolarHBondContact O-N 3.11Å; R61-V64 PolarHBondContact O-N 3.4Å; L62-V64 PolarHBondContact O-N 3Å; V64-S66 PolarHBondContact O-N 3.43Å; V64-I67 PolarHBondContact O-N 2.76Å; V64-I68 HydrophobicContact CG1-CD1 3.77Å; V64-I68 HydrophobicContact CG1-CG1 4.44Å; V64-I68 WeakPolarHBondContact O-CG1 3.22Å; V64-I68 PolarHBondContact O-N 2.79Å; V64-T183 HydrophobicContact CB-CG2 4.27Å; V64-T183 HydrophobicContact CG1-CG2 3.77Å
65V91.8Very high90.6Very high0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-61.9-42.2177.8173.40000111.3R61 L62 I67 I68 C69 F102 M180 T183 L184R61-V65 WeakPolarHBondContact O-CG2 3.49Å; R61-V65 PolarHBondContact O-N 3.01Å; L62-V65 PolarHBondContact O-N 2.86Å; V65-I67 VanDerWaalsContact C-N 3.34Å; V65-I67 PolarHBondContact O-N 3.35Å; V65-I68 PolarHBondContact O-N 2.86Å; V65-C69 VanDerWaalsContact O-CB 3.32Å; V65-C69 WeakPolarHBondContact O-CB 3.36Å; V65-C69 PolarHBondContact O-N 2.95Å; V65-F102 HydrophobicContact CG1-CD1 4.41Å; V65-F102 HydrophobicContact CG1-CD2 3.91Å; V65-F102 HydrophobicContact CG1-CE1 4.15Å; V65-F102 HydrophobicContact CG1-CE2 3.61Å; V65-F102 HydrophobicContact CG1-CG 4.33Å; V65-F102 HydrophobicContact CG1-CZ 3.76Å; V65-M180 HydrophobicContact CG1-CB 4.2Å; V65-M180 HydrophobicContact CG1-CG 4.08Å; V65-M180 HydrophobicContact CG1-SD 3.99Å; V65-T183 HydrophobicContact CG2-CG2 3.68Å; V65-L184 HydrophobicContact CG2-CB 4.43Å
66S93.8Very high90.8Very high11 Ų1160.7 Ų60.78%0.07730%0.301CS..Hα-helixtrans-60.2-40.7175.5-61.20000112.7L62 Y63 V64 L70 F102L62-S66 WeakPolarHBondContact O-CB 3.38Å; L62-S66 PolarHBondContact O-N 3.05Å; L62-S66 PolarHBondContact O-OG 2.92Å; Y63-S66 PolarHBondContact O-N 3.1Å; V64-S66 PolarHBondContact O-N 3.43Å; S66-L70 VanDerWaalsContact O-CB 3.31Å; S66-L70 WeakPolarHBondContact O-CB 3.28Å; S66-L70 PolarHBondContact O-N 3.46Å; S66-F102 VanDerWaalsContact OG-CB 3.25Å; S66-F102 WeakPolarHBondContact OG-CB 3.47Å
67I94.6Very high90.9Very high70 Ų7057.2 Ų57.236%0.35929%0.289SS..Hα-helixtrans-65.6-45.7176-70.5171.1000110.8Y63 V64 V65 C69 L70 L71Y63-I67 HydrophobicContact CD1-CD1 3.79Å; Y63-I67 HydrophobicContact CE1-CD1 3.3Å; Y63-I67 HydrophobicContact CE1-CG1 4.37Å; Y63-I67 HydrophobicContact CE2-CD1 4.46Å; Y63-I67 WeakPolarHBondContact O-CG1 3.41Å; Y63-I67 PolarHBondContact O-N 3.36Å; Y63-I67 VanDerWaalsContact O-N 3.08Å; V64-I67 PolarHBondContact O-N 2.76Å; V65-I67 VanDerWaalsContact C-N 3.34Å; V65-I67 PolarHBondContact O-N 3.35Å; I67-C69 PolarHBondContact O-N 3.25Å; I67-L70 PolarHBondContact O-N 3.25Å; I67-L71 HydrophobicContact CG2-CD1 4.08Å; I67-L71 HydrophobicContact CG2-CG 4.44Å; I67-L71 WeakPolarHBondContact O-CG 3.16Å; I67-L71 PolarHBondContact O-N 2.97Å
68I91.9Very high90.9Very high32 Ų3256.5 Ų56.516%0.16429%0.289CS..Hα-helixtrans-59.2-49.3178.7-69.3168.8000110.1V64 V65 L70 L71 F72 I179 M180V64-I68 HydrophobicContact CG1-CD1 3.77Å; V64-I68 HydrophobicContact CG1-CG1 4.44Å; V64-I68 WeakPolarHBondContact O-CG1 3.22Å; V64-I68 PolarHBondContact O-N 2.79Å; V65-I68 PolarHBondContact O-N 2.86Å; I68-L70 VanDerWaalsContact C-N 3.33Å; I68-L70 PolarHBondContact O-N 2.87Å; I68-L71 PolarHBondContact O-N 3.48Å; I68-F72 HydrophobicContact CG2-CD2 3.68Å; I68-F72 HydrophobicContact CG2-CE2 3.62Å; I68-F72 VanDerWaalsContact O-CD2 3.31Å; I68-F72 WeakPolarHBondContact O-CD2 3.34Å; I68-F72 PolarHBondContact O-N 3.43Å; I68-I179 HydrophobicContact CD1-CG2 4.12Å; I68-I179 HydrophobicContact CG2-CG2 4.21Å; I68-M180 HydrophobicContact CG2-CG 4.02Å
69C92.8Very high90.7Very high0 Ų057.9 Ų57.90%030%0.304CS..Hα-helixtrans-57.7-43.9177.2-1720000112V65 I67 L71 F72 M73 L95 F102 M180V65-C69 VanDerWaalsContact O-CB 3.32Å; V65-C69 WeakPolarHBondContact O-CB 3.36Å; V65-C69 PolarHBondContact O-N 2.95Å; I67-C69 PolarHBondContact O-N 3.25Å; C69-L71 PolarHBondContact O-N 3.5Å; C69-F72 PolarHBondContact O-N 3.04Å; C69-M73 VanDerWaalsContact O-CB 3.3Å; C69-M73 WeakPolarHBondContact O-CB 3.38Å; C69-M73 PolarHBondContact O-N 3.43Å; C69-L95 PolarHBondContact SG-O 2.98Å; C69-L95 VanDerWaalsContact SG-O 3.38Å; C69-F102 HydrophobicContact CB-CD2 4.32Å; C69-F102 HydrophobicContact CB-CE2 4.13Å; C69-M180 HydrophobicContact CB-SD 3.86Å
70L93.9Very high90.4Very high72 Ų7255.4 Ų55.438%0.37729%0.287SS..Hα-helixtrans-62.7-41.4177.5177.661.4000112.2S66 I67 I68 M73 I74 L99S66-L70 VanDerWaalsContact O-CB 3.31Å; S66-L70 WeakPolarHBondContact O-CB 3.28Å; S66-L70 PolarHBondContact O-N 3.46Å; I67-L70 PolarHBondContact O-N 3.25Å; I68-L70 VanDerWaalsContact C-N 3.33Å; I68-L70 PolarHBondContact O-N 2.87Å; L70-M73 HydrophobicContact CD1-CE 3.46Å; L70-M73 VanDerWaalsContact CD1-CE 3.46Å; L70-M73 PolarHBondContact O-N 3Å; L70-I74 HydrophobicContact CD1-CD1 4.02Å; L70-I74 HydrophobicContact CD1-CG1 4.34Å; L70-I74 HydrophobicContact CG-CD1 4.08Å; L70-I74 VanDerWaalsContact O-CG1 3.29Å; L70-I74 WeakPolarHBondContact O-CG1 3.44Å; L70-I74 PolarHBondContact O-N 2.77Å; L70-L99 HydrophobicContact CB-CD2 4.46Å; L70-L99 HydrophobicContact CD1-CD2 4.07Å
71L92.8Very high90Very high117 Ų11755.2 Ų55.261%0.61329%0.288SS*.Hα-helixtrans-65.9-43.9178.2-70.3173.6000111.9I67 I68 C69 I74 G75I67-L71 HydrophobicContact CG2-CD1 4.08Å; I67-L71 HydrophobicContact CG2-CG 4.44Å; I67-L71 WeakPolarHBondContact O-CG 3.16Å; I67-L71 PolarHBondContact O-N 2.97Å; I68-L71 PolarHBondContact O-N 3.48Å; C69-L71 PolarHBondContact O-N 3.5Å; L71-I74 PolarHBondContact O-N 2.88Å; L71-G75 PolarHBondContact O-N 2.95Å
72F90.7Very high89.7Confident64 Ų6458.7 Ų58.728%0.28131%0.311SS..Hα-helixtrans-63.5-44.9175.3-82.1-67.3000111.7I68 C69 I74 G75 E76 L95 A176 I179I68-F72 HydrophobicContact CG2-CD2 3.68Å; I68-F72 HydrophobicContact CG2-CE2 3.62Å; I68-F72 VanDerWaalsContact O-CD2 3.31Å; I68-F72 WeakPolarHBondContact O-CD2 3.34Å; I68-F72 PolarHBondContact O-N 3.43Å; C69-F72 PolarHBondContact O-N 3.04Å; F72-I74 VanDerWaalsContact C-N 3.34Å; F72-I74 PolarHBondContact O-N 2.89Å; F72-G75 WeakPolarHBondContact O-CA 3.22Å; F72-G75 PolarHBondContact O-N 2.69Å; F72-G75 VanDerWaalsContact O-N 3.08Å; F72-E76 PolarHBondContact O-N 2.88Å; F72-L95 HydrophobicContact CB-CD1 4.09Å; F72-A176 HydrophobicContact CB-CB 4.49Å; F72-A176 HydrophobicContact CD1-CB 3.85Å; F72-A176 HydrophobicContact CD2-CB 3.66Å; F72-A176 HydrophobicContact CE1-CB 3.9Å; F72-A176 HydrophobicContact CE2-CB 3.7Å; F72-A176 HydrophobicContact CG-CB 3.75Å; F72-A176 HydrophobicContact CZ-CB 3.83Å; F72-I179 HydrophobicContact CE2-CD1 4.38Å; F72-I179 HydrophobicContact CZ-CD1 4.09Å
73M91.5Very high89.2Confident19 Ų1962 Ų629%0.09434%0.338CS..Hα-helixtrans-58-44.8177.1-176.4-175.261.500111.9C69 L70 G75 E76 I77 L95 L96 L99C69-M73 VanDerWaalsContact O-CB 3.3Å; C69-M73 WeakPolarHBondContact O-CB 3.38Å; C69-M73 PolarHBondContact O-N 3.43Å; L70-M73 HydrophobicContact CD1-CE 3.46Å; L70-M73 VanDerWaalsContact CD1-CE 3.46Å; L70-M73 PolarHBondContact O-N 3Å; M73-G75 VanDerWaalsContact C-N 3.33Å; M73-G75 PolarHBondContact O-N 2.85Å; M73-E76 PolarHBondContact O-N 3.49Å; M73-I77 HydrophobicContact CG-CD1 3.88Å; M73-I77 WeakPolarHBondContact O-CB 3.44Å; M73-I77 VanDerWaalsContact O-CG1 3.23Å; M73-I77 WeakPolarHBondContact O-CG1 3.26Å; M73-I77 PolarHBondContact O-N 3.37Å; M73-L95 HydrophobicContact CB-CB 4.02Å; M73-L95 HydrophobicContact CB-CD1 4.18Å; M73-L95 HydrophobicContact CG-CB 4.23Å; M73-L96 HydrophobicContact SD-CB 3.93Å; M73-L96 HydrophobicContact SD-CD1 4.01Å; M73-L99 HydrophobicContact CE-CD2 3.75Å; M73-L99 HydrophobicContact SD-CD2 4.42Å
74I91.4Very high88.4Confident95 Ų9558.6 Ų58.649%0.48735%0.346SS..Hα-helixtrans-63.1-41.9176.2-68.3166000110.9L70 L71 F72 A78L70-I74 HydrophobicContact CD1-CD1 4.02Å; L70-I74 HydrophobicContact CD1-CG1 4.34Å; L70-I74 HydrophobicContact CG-CD1 4.08Å; L70-I74 VanDerWaalsContact O-CG1 3.29Å; L70-I74 WeakPolarHBondContact O-CG1 3.44Å; L70-I74 PolarHBondContact O-N 2.77Å; L71-I74 PolarHBondContact O-N 2.88Å; F72-I74 VanDerWaalsContact C-N 3.34Å; F72-I74 PolarHBondContact O-N 2.89Å; I74-A78 WeakPolarHBondContact O-CB 3.44Å; I74-A78 PolarHBondContact O-N 2.74Å
75G88.3Confident87.6Confident44 Ų4456.8 Ų56.845%0.45434%0.336SS..Hα-helixtrans-61.1-44.4177.300000112.8L71 F72 M73 A78 G79L71-G75 PolarHBondContact O-N 2.95Å; F72-G75 WeakPolarHBondContact O-CA 3.22Å; F72-G75 PolarHBondContact O-N 2.69Å; F72-G75 VanDerWaalsContact O-N 3.08Å; M73-G75 VanDerWaalsContact C-N 3.33Å; M73-G75 PolarHBondContact O-N 2.85Å; G75-A78 PolarHBondContact O-N 3.14Å; G75-G79 PolarHBondContact O-N 2.86Å
76E87.7Confident86.7Confident17 Ų1763.5 Ų63.58%0.07937%0.371CS..Hα-helixtrans-70.1-41.1178.1-75.7-178.7-16900112.6F72 M73 A78 G79 G80 V88 A92 L95F72-E76 PolarHBondContact O-N 2.88Å; M73-E76 PolarHBondContact O-N 3.49Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.06Å; E76-G79 PolarHBondContact O-N 3.03Å; E76-G80 PolarHBondContact O-N 2.96Å; E76-V88 HydrophobicContact CB-CG1 4.26Å; E76-V88 VanDerWaalsContact O-CG1 3.24Å; E76-V88 WeakPolarHBondContact O-CG1 3.48Å; E76-A92 HydrophobicContact CB-CB 4.24Å; E76-A92 PolarHBondContact OE2-N 3.43Å; E76-L95 HydrophobicContact CG-CD1 4.45Å; E76-L95 WeakPolarHBondContact OE2-CD1 3.42Å
77I88.4Confident85.7Confident73 Ų7365.1 Ų65.137%0.37439%0.385SS..Hα-helixtrans-60.8-45.4174.5-69.1169.8000110.3M73 Y81 A92M73-I77 HydrophobicContact CG-CD1 3.88Å; M73-I77 WeakPolarHBondContact O-CB 3.44Å; M73-I77 VanDerWaalsContact O-CG1 3.23Å; M73-I77 WeakPolarHBondContact O-CG1 3.26Å; M73-I77 PolarHBondContact O-N 3.37Å; I77-Y81 WeakPolarHBondContact O-CB 3.38Å; I77-Y81 PolarHBondContact O-N 2.97Å; I77-A92 HydrophobicContact CD1-CB 4.49Å; I77-A92 HydrophobicContact CG1-CB 3.65Å
78A86.8Confident84.9Confident48 Ų4862.3 Ų62.340%0.39737%0.371SS..Hα-helixtrans-64.7-45.3177.600000111.6I74 G75 E76 Y81 L82I74-A78 WeakPolarHBondContact O-CB 3.44Å; I74-A78 PolarHBondContact O-N 2.74Å; G75-A78 PolarHBondContact O-N 3.14Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.06Å; A78-Y81 PolarHBondContact O-N 2.99Å; A78-L82 WeakPolarHBondContact O-CB 3.45Å; A78-L82 VanDerWaalsContact O-CG 3.24Å; A78-L82 WeakPolarHBondContact O-CG 3.41Å; A78-L82 PolarHBondContact O-N 3.45Å
79G81.9Confident84.2Confident34 Ų3464.8 Ų64.835%0.35138%0.383SS..Hα-helixtrans-62.6-43.217700000112.7G75 E76 L82 A83G75-G79 PolarHBondContact O-N 2.86Å; E76-G79 PolarHBondContact O-N 3.03Å; G79-L82 PolarHBondContact O-N 3.33Å; G79-A83 WeakPolarHBondContact O-CB 3.44Å; G79-A83 PolarHBondContact O-N 3.11Å
80G83.2Confident83.5Confident1 Ų167.9 Ų67.91%0.0140%0.402CS..Hα-helixtrans-64.9-41.4177.500000112.7E76 A83 G84 S85E76-G80 PolarHBondContact O-N 2.96Å; G80-A83 PolarHBondContact O-N 2.79Å; G80-G84 WeakPolarHBondContact O-CA 3.39Å; G80-G84 PolarHBondContact O-N 3.07Å; G80-S85 PolarHBondContact O-N 3.14Å; G80-S85 VanDerWaalsContact O-N 3.08Å
81Y83.2Confident82.9Confident191 Ų19166.1 Ų66.175%0.74939%0.393SS*.Hα-helixtrans-64.7-44.9174.7-176.6-98.7000112.2I77 A78 G84I77-Y81 WeakPolarHBondContact O-CB 3.38Å; I77-Y81 PolarHBondContact O-N 2.97Å; A78-Y81 PolarHBondContact O-N 2.99Å; Y81-G84 PolarHBondContact O-N 3.32Å
82L82.9Confident82.5Confident148 Ų14860.7 Ų60.778%0.77537%0.365SS*.Hα-helixtrans-67.7-34.8178.7-69.3173.1000112.7A78 G79A78-L82 WeakPolarHBondContact O-CB 3.45Å; A78-L82 VanDerWaalsContact O-CG 3.24Å; A78-L82 WeakPolarHBondContact O-CG 3.41Å; A78-L82 PolarHBondContact O-N 3.45Å; G79-L82 PolarHBondContact O-N 3.33Å
83A78.9Confident82.2Confident68 Ų6860.2 Ų60.256%0.56237%0.373SS*.Hα-helixtrans-83.4-11.7177.700000113.5G79 G80 S85G79-A83 WeakPolarHBondContact O-CB 3.44Å; G79-A83 PolarHBondContact O-N 3.11Å; G80-A83 PolarHBondContact O-N 2.79Å; A83-S85 PolarHBondContact O-N 3.08Å
84G76.9Confident81.9Confident71 Ų7161.2 Ų61.273%0.73238%0.378SS*.THydrogen-bonded Turntrans61.125.1-172.700000113.6G80 Y81G80-G84 WeakPolarHBondContact O-CA 3.39Å; G80-G84 PolarHBondContact O-N 3.07Å; Y81-G84 PolarHBondContact O-N 3.32Å
85S76.3Confident81.8Confident18 Ų1857 Ų5713%0.12636%0.356CS..  trans-100116.9-169.7-179.60000112.2G80 A83 A87 V88 M89 V165G80-S85 PolarHBondContact O-N 3.14Å; G80-S85 VanDerWaalsContact O-N 3.08Å; A83-S85 PolarHBondContact O-N 3.08Å; S85-A87 PolarHBondContact O-N 3.09Å; S85-A87 PolarHBondContact OG-N 3.08Å; S85-V88 PolarHBondContact O-N 3.44Å; S85-M89 PolarHBondContact O-N 2.83Å; S85-V165 WeakPolarHBondContact OG-CG1 3.36Å
86L73.6Confident81.9Confident141 Ų14159.6 Ų59.674%0.73836%0.359SS*.Hα-helixtrans-64.1-30.2175.1-170.766.1000112.2M89 T90L86-M89 WeakPolarHBondContact O-CB 3.45Å; L86-M89 PolarHBondContact O-N 3.23Å; L86-T90 PolarHBondContact O-N 3.39Å; L86-T90 VanDerWaalsContact O-N 3.09Å; L86-T90 PolarHBondContact O-OG1 3.34Å
87A72.3Confident82Confident45 Ų4560.5 Ų60.537%0.37237%0.366SS..Hα-helixtrans-65.9-38.3179.400000112.4S85 M89 T90 D91S85-A87 PolarHBondContact O-N 3.09Å; S85-A87 PolarHBondContact OG-N 3.08Å; A87-M89 VanDerWaalsContact C-N 3.32Å; A87-T90 PolarHBondContact O-N 2.95Å; A87-T90 PolarHBondContact O-OG1 3.45Å; A87-D91 PolarHBondContact O-N 3.42Å
88V77.4Confident82.1Confident11 Ų1157.2 Ų57.27%0.06735%0.349CS..Hα-helixtrans-67.9-37.3175.1-171.70000110.2E76 S85 T90 D91 A92 V165 T169E76-V88 HydrophobicContact CB-CG1 4.26Å; E76-V88 VanDerWaalsContact O-CG1 3.24Å; E76-V88 WeakPolarHBondContact O-CG1 3.48Å; S85-V88 PolarHBondContact O-N 3.44Å; V88-T90 VanDerWaalsContact C-N 3.35Å; V88-T90 PolarHBondContact O-N 3.23Å; V88-D91 PolarHBondContact O-N 3.17Å; V88-A92 PolarHBondContact O-N 2.85Å; V88-V165 HydrophobicContact CG2-CG1 3.98Å; V88-T169 HydrophobicContact CB-CG2 4.24Å; V88-T169 HydrophobicContact CG1-CG2 4.31Å; V88-T169 HydrophobicContact CG2-CG2 3.49Å; V88-T169 VanDerWaalsContact CG2-CG2 3.49Å
89M76.9Confident82.4Confident83 Ų8356.3 Ų56.341%0.40934%0.337SS..Hα-helixtrans-67-33.8179.8-67.9-64.9-62.300112.9S85 L86 A87 A93S85-M89 PolarHBondContact O-N 2.83Å; L86-M89 WeakPolarHBondContact O-CB 3.45Å; L86-M89 PolarHBondContact O-N 3.23Å; A87-M89 VanDerWaalsContact C-N 3.32Å; M89-A93 PolarHBondContact O-N 3.16Å; M89-A93 VanDerWaalsContact O-N 3.15Å
90T78.4Confident82.9Confident65 Ų6556.8 Ų56.840%0.39934%0.338SS..Hα-helixtrans-69.2-34173.949.30000112.5L86 A87 V88 A93 H94L86-T90 PolarHBondContact O-N 3.39Å; L86-T90 VanDerWaalsContact O-N 3.09Å; L86-T90 PolarHBondContact O-OG1 3.34Å; A87-T90 PolarHBondContact O-N 2.95Å; A87-T90 PolarHBondContact O-OG1 3.45Å; V88-T90 VanDerWaalsContact C-N 3.35Å; V88-T90 PolarHBondContact O-N 3.23Å; T90-A93 WeakPolarHBondContact O-CB 3.39Å; T90-A93 PolarHBondContact O-N 3.31Å; T90-H94 PolarHBondContact O-CD2 2.84Å; T90-H94 VanDerWaalsContact O-CD2 3.31Å; T90-H94 PolarHBondContact O-N 2.8Å
91D81.3Confident83.3Confident35 Ų3556.8 Ų56.819%0.18734%0.337CS..Hα-helixtrans-68-42.9175.5-156.329.4000111A87 V88 A93 H94 L95A87-D91 PolarHBondContact O-N 3.42Å; V88-D91 PolarHBondContact O-N 3.17Å; D91-A93 PolarHBondContact O-N 3.24Å; D91-H94 WeakPolarHBondContact O-CA 3.28Å; D91-H94 VanDerWaalsContact O-CB 3.31Å; D91-H94 WeakPolarHBondContact O-CB 3.4Å; D91-H94 PolarHBondContact O-N 3.44Å; D91-L95 PolarHBondContact O-N 3.42Å; D91-L95 VanDerWaalsContact O-N 3.08Å
92A84.6Confident83.7Confident4 Ų447.7 Ų47.73%0.03330%0.302CS..Hα-helixtrans-59.9-33.317300000113.2E76 I77 V88 H94 L95 L96E76-A92 HydrophobicContact CB-CB 4.24Å; E76-A92 PolarHBondContact OE2-N 3.43Å; I77-A92 HydrophobicContact CD1-CB 4.49Å; I77-A92 HydrophobicContact CG1-CB 3.65Å; V88-A92 PolarHBondContact O-N 2.85Å; A92-H94 VanDerWaalsContact C-N 3.34Å; A92-L95 PolarHBondContact O-N 3.44Å; A92-L96 PolarHBondContact O-N 2.87Å
93A84.4Confident84.2Confident53 Ų5344.4 Ų44.444%0.43829%0.288SS..Hα-helixtrans-68.1-32.8174.400000112.3M89 T90 D91 L96 T97M89-A93 PolarHBondContact O-N 3.16Å; M89-A93 VanDerWaalsContact O-N 3.15Å; T90-A93 WeakPolarHBondContact O-CB 3.39Å; T90-A93 PolarHBondContact O-N 3.31Å; D91-A93 PolarHBondContact O-N 3.24Å; A93-L96 WeakPolarHBondContact O-CB 3.42Å; A93-L96 PolarHBondContact O-N 3.19Å; A93-T97 PolarHBondContact O-N 3.19Å
94H84.3Confident84.8Confident41 Ų4143 Ų4319%0.1927%0.271CS..Hα-helixtrans-64.4-49.5170.3-80.4-67.6000111.4T90 D91 A92 L96 T97 D98 L146T90-H94 PolarHBondContact O-CD2 2.84Å; T90-H94 VanDerWaalsContact O-CD2 3.31Å; T90-H94 PolarHBondContact O-N 2.8Å; D91-H94 WeakPolarHBondContact O-CA 3.28Å; D91-H94 VanDerWaalsContact O-CB 3.31Å; D91-H94 WeakPolarHBondContact O-CB 3.4Å; D91-H94 PolarHBondContact O-N 3.44Å; A92-H94 VanDerWaalsContact C-N 3.34Å; H94-L96 PolarHBondContact O-N 3.43Å; H94-L96 VanDerWaalsContact O-N 3.14Å; H94-T97 WeakPolarHBondContact O-CA 3.22Å; H94-T97 PolarHBondContact O-N 3.39Å; H94-T97 PolarHBondContact O-OG1 2.92Å; H94-D98 VanDerWaalsContact O-CG 3.31Å; H94-D98 PolarHBondContact O-N 3.4Å; H94-L146 VanDerWaalsContact CE1-CD2 3.49Å; H94-L146 WeakPolarHBondContact CE1-CD2 3.41Å; H94-L146 VanDerWaalsContact NE2-CD2 3.29Å; H94-L146 WeakPolarHBondContact NE2-CD2 3.31Å
95L89.4Confident85.6Confident6 Ų639.7 Ų39.73%0.03124%0.236CC..Hα-helixtrans-58.2-31.5177.3-66.7-176.8000113C69 F72 M73 E76 D91 A92 D98 L99C69-L95 PolarHBondContact SG-O 2.98Å; C69-L95 VanDerWaalsContact SG-O 3.38Å; F72-L95 HydrophobicContact CB-CD1 4.09Å; M73-L95 HydrophobicContact CB-CB 4.02Å; M73-L95 HydrophobicContact CB-CD1 4.18Å; M73-L95 HydrophobicContact CG-CB 4.23Å; E76-L95 HydrophobicContact CG-CD1 4.45Å; E76-L95 WeakPolarHBondContact OE2-CD1 3.42Å; D91-L95 PolarHBondContact O-N 3.42Å; D91-L95 VanDerWaalsContact O-N 3.08Å; A92-L95 PolarHBondContact O-N 3.44Å; L95-D98 PolarHBondContact O-N 3.16Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 PolarHBondContact O-N 3.14Å
96L90.5Very high86.3Confident98 Ų9840.5 Ų40.551%0.51324%0.239SC..Hα-helixtrans-64-42.4173178.463.7000112M73 A92 A93 H94 D98 L99 A100M73-L96 HydrophobicContact SD-CB 3.93Å; M73-L96 HydrophobicContact SD-CD1 4.01Å; A92-L96 PolarHBondContact O-N 2.87Å; A93-L96 WeakPolarHBondContact O-CB 3.42Å; A93-L96 PolarHBondContact O-N 3.19Å; H94-L96 PolarHBondContact O-N 3.43Å; H94-L96 VanDerWaalsContact O-N 3.14Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.2Å; L96-L99 PolarHBondContact O-N 2.81Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 2.98Å
97T89.7Confident87.3Confident37 Ų3739.6 Ų39.623%0.22723%0.229CC..Hα-helixtrans-67.5-30.917759.10000112.4A93 H94 S101 V142A93-T97 PolarHBondContact O-N 3.19Å; H94-T97 WeakPolarHBondContact O-CA 3.22Å; H94-T97 PolarHBondContact O-N 3.39Å; H94-T97 PolarHBondContact O-OG1 2.92Å; T97-S101 PolarHBondContact O-N 3.3Å; T97-S101 PolarHBondContact O-OG 3.38Å; T97-V142 HydrophobicContact CG2-CG2 3.87Å
98D90.4Very high88.3Confident4 Ų437.6 Ų37.62%0.02121%0.213CC..Hα-helixtrans-69.9-48175.4-54.2-18.8000110.3H94 L95 L96 A100 S101 F102 H224H94-D98 VanDerWaalsContact O-CG 3.31Å; H94-D98 PolarHBondContact O-N 3.4Å; L95-D98 PolarHBondContact O-N 3.16Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.2Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 2.73Å; D98-S101 WeakPolarHBondContact O-CB 3.47Å; D98-S101 PolarHBondContact O-N 3.4Å; D98-F102 HydrophobicContact CB-CE2 3.98Å; D98-F102 HydrophobicContact CB-CZ 4.23Å; D98-F102 WeakPolarHBondContact O-CD2 3.49Å; D98-F102 WeakPolarHBondContact O-CG 3.48Å; D98-F102 PolarHBondContact O-N 2.77Å; D98-H224 IonicContact OD1-CD2 3.16Å; D98-H224 IonicContact OD1-CE1 3.85Å; D98-H224 IonicContact OD1-NE2 3.49Å; D98-H224 PolarHBondContact OD1-NE2 3.35Å
99L93Very high89Confident28 Ų2837.2 Ų37.215%0.14721%0.21CC..Hα-helixtrans-56.6-45.1174.5-178.961.7000111.2L70 M73 L95 L96 S101 F102 V103L70-L99 HydrophobicContact CB-CD2 4.46Å; L70-L99 HydrophobicContact CD1-CD2 4.07Å; M73-L99 HydrophobicContact CE-CD2 3.75Å; M73-L99 HydrophobicContact SD-CD2 4.42Å; L95-L99 WeakPolarHBondContact O-CB 3.44Å; L95-L99 PolarHBondContact O-N 3.14Å; L96-L99 PolarHBondContact O-N 2.81Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-S101 PolarHBondContact O-N 3.34Å; L99-F102 PolarHBondContact O-N 2.7Å; L99-V103 HydrophobicContact CD1-CG2 4.38Å; L99-V103 VanDerWaalsContact O-CG2 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.45Å; L99-V103 PolarHBondContact O-N 3.16Å
100A92.5Very high89.7Confident44 Ų4440 Ų4036%0.36422%0.216SC..Hα-helixtrans-58.7-43176.100000111.5L96 D98 F102 V103 I104L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 2.98Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 2.73Å; A100-F102 PolarHBondContact O-N 3.25Å; A100-V103 PolarHBondContact O-N 3.17Å; A100-I104 WeakPolarHBondContact O-CD1 3.46Å; A100-I104 VanDerWaalsContact O-CG1 3.25Å; A100-I104 WeakPolarHBondContact O-CG1 3.41Å; A100-I104 PolarHBondContact O-N 3.4Å
101S91.4Very high90.4Very high1 Ų138.2 Ų38.21%0.00720%0.204CC..Hα-helixtrans-65.3-37.7178.2-62.40000112.8T97 D98 L99 S105T97-S101 PolarHBondContact O-N 3.3Å; T97-S101 PolarHBondContact O-OG 3.38Å; D98-S101 WeakPolarHBondContact O-CB 3.47Å; D98-S101 PolarHBondContact O-N 3.4Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-S101 PolarHBondContact O-N 3.34Å; S101-S105 PolarHBondContact O-N 3.13Å; S101-S105 PolarHBondContact O-OG 3.39Å
102F92.1Very high90.8Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-69.3-39.1173.4-55.1-38.9000112.6L62 V65 S66 C69 D98 L99 A100 S105 L106 M180 A221 V225L62-F102 HydrophobicContact CD2-CD1 4.43Å; V65-F102 HydrophobicContact CG1-CD1 4.41Å; V65-F102 HydrophobicContact CG1-CD2 3.91Å; V65-F102 HydrophobicContact CG1-CE1 4.15Å; V65-F102 HydrophobicContact CG1-CE2 3.61Å; V65-F102 HydrophobicContact CG1-CG 4.33Å; V65-F102 HydrophobicContact CG1-CZ 3.76Å; S66-F102 VanDerWaalsContact OG-CB 3.25Å; S66-F102 WeakPolarHBondContact OG-CB 3.47Å; C69-F102 HydrophobicContact CB-CD2 4.32Å; C69-F102 HydrophobicContact CB-CE2 4.13Å; D98-F102 HydrophobicContact CB-CE2 3.98Å; D98-F102 HydrophobicContact CB-CZ 4.23Å; D98-F102 WeakPolarHBondContact O-CD2 3.49Å; D98-F102 WeakPolarHBondContact O-CG 3.48Å; D98-F102 PolarHBondContact O-N 2.77Å; L99-F102 PolarHBondContact O-N 2.7Å; A100-F102 PolarHBondContact O-N 3.25Å; F102-S105 WeakPolarHBondContact O-CB 3.34Å; F102-S105 PolarHBondContact O-N 3.38Å; F102-L106 PolarHBondContact O-N 3.47Å; F102-M180 HydrophobicContact CE2-SD 4.16Å; F102-A221 HydrophobicContact CD1-CB 4.07Å; F102-A221 HydrophobicContact CE1-CB 4.21Å; F102-V225 HydrophobicContact CE1-CG2 3.59Å; F102-V225 HydrophobicContact CZ-CG2 3.39Å
103V93.3Very high90.9Very high79 Ų7939.8 Ų39.848%0.47922%0.218SC..Hα-helixtrans-63.8-42.8175.6170.20000110.8L99 A100 S105 L106 F107L99-V103 HydrophobicContact CD1-CG2 4.38Å; L99-V103 VanDerWaalsContact O-CG2 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.45Å; L99-V103 PolarHBondContact O-N 3.16Å; A100-V103 PolarHBondContact O-N 3.17Å; V103-S105 VanDerWaalsContact C-N 3.3Å; V103-S105 PolarHBondContact O-N 3.41Å; V103-L106 PolarHBondContact O-N 3.41Å; V103-F107 WeakPolarHBondContact O-CB 3.15Å; V103-F107 PolarHBondContact O-N 2.9Å
104I93.1Very high91.1Very high40 Ų4041.1 Ų41.121%0.20521%0.214CC..Hα-helixtrans-57.4-45.3172.3-71.5161.7000110.4A100 F107 S108 L134A100-I104 WeakPolarHBondContact O-CD1 3.46Å; A100-I104 VanDerWaalsContact O-CG1 3.25Å; A100-I104 WeakPolarHBondContact O-CG1 3.41Å; A100-I104 PolarHBondContact O-N 3.4Å; I104-F107 PolarHBondContact O-N 2.92Å; I104-S108 WeakPolarHBondContact O-CB 3.49Å; I104-S108 PolarHBondContact O-N 3.25Å; I104-L134 HydrophobicContact CD1-CD2 3.83Å; I104-L134 HydrophobicContact CD1-CG 4.08Å; I104-L134 HydrophobicContact CG1-CD2 4.12Å; I104-L134 HydrophobicContact CG2-CB 4.29Å; I104-L134 HydrophobicContact CG2-CD2 3.9Å; I104-L134 HydrophobicContact CG2-CG 4.31Å
105S92Very high91.3Very high0 Ų044.2 Ų44.20%024%0.237CC..Hα-helixtrans-62.9-44.9178.2-660000112.3S101 F102 V103 S108 L109S101-S105 PolarHBondContact O-N 3.13Å; S101-S105 PolarHBondContact O-OG 3.39Å; F102-S105 WeakPolarHBondContact O-CB 3.34Å; F102-S105 PolarHBondContact O-N 3.38Å; V103-S105 VanDerWaalsContact C-N 3.3Å; V103-S105 PolarHBondContact O-N 3.41Å; S105-S108 PolarHBondContact O-N 2.83Å; S105-S108 PolarHBondContact O-OG 3.29Å; S105-L109 WeakPolarHBondContact O-CG 3.39Å; S105-L109 PolarHBondContact O-N 3.27Å
106L92.8Very high91.2Very high36 Ų3648.2 Ų48.219%0.18826%0.262CS..Hα-helixtrans-62.5-44.3175.1-78.2170.3000112.1L62 F102 V103 S108 L109 W110L62-L106 HydrophobicContact CB-CD2 3.61Å; L62-L106 HydrophobicContact CB-CG 3.89Å; L62-L106 HydrophobicContact CD1-CD2 4.5Å; F102-L106 PolarHBondContact O-N 3.47Å; V103-L106 PolarHBondContact O-N 3.41Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.91Å; L106-L109 PolarHBondContact O-N 2.92Å; L106-W110 WeakPolarHBondContact O-CB 3.46Å; L106-W110 PolarHBondContact O-N 2.89Å
107F94.1Very high91.2Very high121 Ų12146.5 Ų46.553%0.53126%0.256SS..Hα-helixtrans-62.1-42.1177179.9-105.5000111.3V103 I104 L109 W110 L111V103-F107 WeakPolarHBondContact O-CB 3.15Å; V103-F107 PolarHBondContact O-N 2.9Å; I104-F107 PolarHBondContact O-N 2.92Å; F107-L109 PolarHBondContact O-N 2.99Å; F107-W110 HydrophobicContact CD2-CE3 4.08Å; F107-W110 HydrophobicContact CD2-CZ3 4.39Å; F107-W110 AromaticContact CE2-CE3 3.9Å; F107-W110 HydrophobicContact CE2-CE3 3.9Å; F107-W110 AromaticContact CE2-CZ3 3.77Å; F107-W110 HydrophobicContact CE2-CZ3 3.77Å; F107-W110 HydrophobicContact CZ-CZ3 4.47Å; F107-W110 PolarHBondContact O-N 3.25Å; F107-L111 HydrophobicContact CE1-CD2 4.29Å; F107-L111 WeakPolarHBondContact O-CB 3.28Å; F107-L111 PolarHBondContact O-N 3.03Å
108S93.6Very high91.2Very high4 Ų454 Ų543%0.02829%0.288CS..Hα-helixtrans-61.7-42.6176.7780000112.4I104 S105 L106 L111 S112 A127 S217I104-S108 WeakPolarHBondContact O-CB 3.49Å; I104-S108 PolarHBondContact O-N 3.25Å; S105-S108 PolarHBondContact O-N 2.83Å; S105-S108 PolarHBondContact O-OG 3.29Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.91Å; S108-L111 PolarHBondContact O-N 3.19Å; S108-S112 PolarHBondContact O-N 2.83Å; S108-S112 PolarHBondContact O-OG 3.44Å; S108-A127 WeakPolarHBondContact CB-O 3.33Å; S108-S217 PolarHBondContact OG-OG 3Å
109L91Very high91.2Very high3 Ų365.1 Ų65.12%0.01633%0.33CS..Hα-helixtrans-67.5-40.2176.6-75.4173000112.1K55 A58 L62 S105 L106 F107 L111 S112 S113 E128K55-L109 WeakPolarHBondContact CE-O 3.45Å; K55-L109 HydrophobicContact CG-CD2 4.43Å; K55-L109 PolarHBondContact NZ-O 3.37Å; A58-L109 HydrophobicContact CB-CD1 4.3Å; L62-L109 HydrophobicContact CD1-CD1 3.4Å; L62-L109 VanDerWaalsContact CD1-CD1 3.4Å; S105-L109 WeakPolarHBondContact O-CG 3.39Å; S105-L109 PolarHBondContact O-N 3.27Å; L106-L109 PolarHBondContact O-N 2.92Å; F107-L109 PolarHBondContact O-N 2.99Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L109-S112 WeakPolarHBondContact CA-OG 3.16Å; L109-S112 PolarHBondContact O-OG 3.35Å; L109-S113 PolarHBondContact O-N 2.9Å; L109-E128 HydrophobicContact CD2-CG 4.14Å
110W92.2Very high91.1Very high140 Ų14067 Ų6753%0.5334%0.34SS..Hα-helixtrans-62.8-44.8173.9173.581.6000110.6L106 F107 S112 S113 K114L106-W110 WeakPolarHBondContact O-CB 3.46Å; L106-W110 PolarHBondContact O-N 2.89Å; F107-W110 HydrophobicContact CD2-CE3 4.08Å; F107-W110 HydrophobicContact CD2-CZ3 4.39Å; F107-W110 AromaticContact CE2-CE3 3.9Å; F107-W110 HydrophobicContact CE2-CE3 3.9Å; F107-W110 AromaticContact CE2-CZ3 3.77Å; F107-W110 HydrophobicContact CE2-CZ3 3.77Å; F107-W110 HydrophobicContact CZ-CZ3 4.47Å; F107-W110 PolarHBondContact O-N 3.25Å; W110-S112 PolarHBondContact O-N 3.31Å; W110-S113 WeakPolarHBondContact O-CB 3.44Å; W110-S113 PolarHBondContact O-N 3.2Å; W110-S113 PolarHBondContact O-OG 3Å; W110-K114 VanDerWaalsContact CZ3-CE 3.49Å
111L92.4Very high90.9Very high28 Ų2869.4 Ų69.415%0.14735%0.353CS..Hα-helixtrans-63.3-43.4-179.8-170.756.6000111.3F107 S108 L109 S113 K114 W124 A127F107-L111 HydrophobicContact CE1-CD2 4.29Å; F107-L111 WeakPolarHBondContact O-CB 3.28Å; F107-L111 PolarHBondContact O-N 3.03Å; S108-L111 PolarHBondContact O-N 3.19Å; L109-L111 VanDerWaalsContact C-N 3.34Å; L111-S113 PolarHBondContact O-N 2.73Å; L111-S113 VanDerWaalsContact O-N 3.14Å; L111-K114 HydrophobicContact CD1-CD 4Å; L111-K114 WeakPolarHBondContact O-CB 3.42Å; L111-K114 WeakPolarHBondContact O-CG 3.37Å; L111-K114 PolarHBondContact O-N 3.32Å; L111-W124 HydrophobicContact CD1-CD2 3.88Å; L111-W124 HydrophobicContact CD1-CE3 3.55Å; L111-W124 HydrophobicContact CD1-CH2 4.27Å; L111-W124 HydrophobicContact CD1-CZ3 3.76Å; L111-W124 HydrophobicContact CD2-CE3 3.73Å; L111-W124 HydrophobicContact CD2-CZ3 3.81Å; L111-W124 HydrophobicContact CG-CD2 4.08Å; L111-W124 HydrophobicContact CG-CE3 3.47Å; L111-W124 VanDerWaalsContact CG-CE3 3.47Å; L111-W124 HydrophobicContact CG-CZ3 3.96Å; L111-W124 WeakPolarHBondContact O-CB 3.43Å; L111-A127 HydrophobicContact CB-CB 4.04Å; L111-A127 HydrophobicContact CD2-CB 3.83Å; L111-A127 HydrophobicContact CG-CB 3.9Å
112S90Very high90.7Very high2 Ų274.6 Ų74.61%0.01437%0.373CS..THydrogen-bonded Turntrans-69-7.417668.30000114.1K55 S108 L109 W110 W124 E128K55-S112 PolarHBondContact NZ-O 3.31Å; K55-S112 VanDerWaalsContact NZ-O 3.13Å; K55-S112 PolarHBondContact NZ-OG 3.2Å; S108-S112 PolarHBondContact O-N 2.83Å; S108-S112 PolarHBondContact O-OG 3.44Å; L109-S112 WeakPolarHBondContact CA-OG 3.16Å; L109-S112 PolarHBondContact O-OG 3.35Å; W110-S112 PolarHBondContact O-N 3.31Å; S112-W124 WeakPolarHBondContact CA-O 3.41Å; S112-W124 WeakPolarHBondContact CB-O 3.48Å; S112-E128 WeakPolarHBondContact CB-OE1 3.39Å; S112-E128 VanDerWaalsContact OG-CG 3.28Å; S112-E128 WeakPolarHBondContact OG-CG 3.35Å; S112-E128 PolarHBondContact OG-OE1 2.92Å
113S87.3Confident90.6Very high71 Ų7175.2 Ų75.250%0.49738%0.38SS..THydrogen-bonded Turntrans-88.9-9175.9760000113K55 L109 W110 L111K55-S113 VanDerWaalsContact NZ-CA 3.26Å; L109-S113 PolarHBondContact O-N 2.9Å; W110-S113 WeakPolarHBondContact O-CB 3.44Å; W110-S113 PolarHBondContact O-N 3.2Å; W110-S113 PolarHBondContact O-OG 3Å; L111-S113 PolarHBondContact O-N 2.73Å; L111-S113 VanDerWaalsContact O-N 3.14Å
114K89.1Confident90.6Very high81 Ų8175.6 Ų75.635%0.35237%0.373SS..SBendtrans-67.6148.2-179.5-68.9-163-179.3-169.60111.5W110 L111 W124W110-K114 VanDerWaalsContact CZ3-CE 3.49Å; L111-K114 HydrophobicContact CD1-CD 4Å; L111-K114 WeakPolarHBondContact O-CB 3.42Å; L111-K114 WeakPolarHBondContact O-CG 3.37Å; L111-K114 PolarHBondContact O-N 3.32Å; K114-W124 HydrophobicContact CB-CG 4.27Å
115P86.6Confident90.4Very high105 Ų10576.8 Ų76.868%0.68238%0.376SS*.PPolyproline II helixtrans-62.2155.5176.127.6-35.3000111.5
116V88.3Confident90.4Very high90 Ų9080.3 Ų80.355%0.54539%0.389SS..PPolyproline II helixtrans-61149.7174.2-59.20000111
117T89.8Confident90.4Very high63 Ų6379.1 Ų79.139%0.38738%0.384SS..  trans-131164.7178.864.80000109.6R119 L120 S121T117-R119 PolarHBondContact O-N 3.39Å; T117-L120 PolarHBondContact N-O 2.97Å; T117-L120 CarbonylContact O-C 2.99Å; T117-L120 PolarHBondContact O-N 3.28Å; T117-L120 VanDerWaalsContact O-N 3.15Å; T117-L120 PolarHBondContact OG1-N 3.21Å; T117-S121 WeakPolarHBondContact O-CA 3.2Å; T117-S121 PolarHBondContact O-N 3.27Å
118Q89.5Confident90.3Very high193 Ų19374 Ų7490%0.90236%0.362SS*.SBendtrans-62.8-31178.6-70.5179.6-18.900113.3
119R90.9Very high90.2Very high239 Ų23973.8 Ų73.890%0.90236%0.361SS*.SBendtrans-76.5-30.1175.7-67.4-174.7179.9-178.8-0.5112.9T117T117-R119 PolarHBondContact O-N 3.39Å
120L90.6Very high90.4Very high68 Ų6878.2 Ų78.236%0.35638%0.384SS..SBendtrans-123.877.6179.4-62.3173000108.3T117 Y122 G123 W124T117-L120 PolarHBondContact N-O 2.97Å; T117-L120 CarbonylContact O-C 2.99Å; T117-L120 PolarHBondContact O-N 3.28Å; T117-L120 VanDerWaalsContact O-N 3.15Å; T117-L120 PolarHBondContact OG1-N 3.21Å; L120-Y122 VanDerWaalsContact C-N 3.32Å; L120-Y122 PolarHBondContact O-N 2.89Å; L120-G123 WeakPolarHBondContact O-CA 3.45Å; L120-G123 PolarHBondContact O-N 3.22Å; L120-W124 HydrophobicContact CD1-CD2 3.61Å; L120-W124 HydrophobicContact CD1-CE3 3.96Å; L120-W124 HydrophobicContact CD1-CG 4.21Å; L120-W124 HydrophobicContact CD1-CH2 3.86Å; L120-W124 HydrophobicContact CD1-CZ2 3.48Å; L120-W124 VanDerWaalsContact CD1-CZ2 3.48Å; L120-W124 HydrophobicContact CD1-CZ3 4.08Å
121S89Confident90.4Very high93 Ų9371.9 Ų71.965%0.6536%0.362SS*.THydrogen-bonded Turntrans-65.3-35.2-170.9-40.80000112.6T117 G123T117-S121 WeakPolarHBondContact O-CA 3.2Å; T117-S121 PolarHBondContact O-N 3.27Å; S121-G123 VanDerWaalsContact C-N 3.27Å
122Y87.3Confident90.4Very high110 Ų11070.6 Ų70.643%0.43136%0.355SS..THydrogen-bonded Turntrans-79.2-6.9170.4-72.9-66.4000113.3L120 Y125 L312L120-Y122 VanDerWaalsContact C-N 3.32Å; L120-Y122 PolarHBondContact O-N 2.89Å; Y122-Y125 WeakPolarHBondContact O-CD2 3.42Å; Y122-Y125 WeakPolarHBondContact O-CE2 3.36Å; Y122-L312 HydrophobicContact CD1-CD1 3.95Å; Y122-L312 HydrophobicContact CD2-CD2 4.49Å; Y122-L312 HydrophobicContact CG-CD1 4.25Å; Y122-L312 HydrophobicContact CG-CD2 4.17Å
123G91Very high90.6Very high14 Ų1471.6 Ų71.614%0.14436%0.36CS..  trans85.7-169-177.700000114.7L120 S121 Y125L120-G123 WeakPolarHBondContact O-CA 3.45Å; L120-G123 PolarHBondContact O-N 3.22Å; S121-G123 VanDerWaalsContact C-N 3.27Å; G123-Y125 VanDerWaalsContact C-N 3.32Å; G123-Y125 PolarHBondContact O-N 2.91Å
124W91.6Very high90.9Very high87 Ų8772.6 Ų72.633%0.3336%0.36SS..SBendtrans-91.116.6-172.2-70.587.1000113.8L111 S112 K114 L120 R126 A127L111-W124 HydrophobicContact CD1-CD2 3.88Å; L111-W124 HydrophobicContact CD1-CE3 3.55Å; L111-W124 HydrophobicContact CD1-CH2 4.27Å; L111-W124 HydrophobicContact CD1-CZ3 3.76Å; L111-W124 HydrophobicContact CD2-CE3 3.73Å; L111-W124 HydrophobicContact CD2-CZ3 3.81Å; L111-W124 HydrophobicContact CG-CD2 4.08Å; L111-W124 HydrophobicContact CG-CE3 3.47Å; L111-W124 VanDerWaalsContact CG-CE3 3.47Å; L111-W124 HydrophobicContact CG-CZ3 3.96Å; L111-W124 WeakPolarHBondContact O-CB 3.43Å; S112-W124 WeakPolarHBondContact CA-O 3.41Å; S112-W124 WeakPolarHBondContact CB-O 3.48Å; K114-W124 HydrophobicContact CB-CG 4.27Å; L120-W124 HydrophobicContact CD1-CD2 3.61Å; L120-W124 HydrophobicContact CD1-CE3 3.96Å; L120-W124 HydrophobicContact CD1-CG 4.21Å; L120-W124 HydrophobicContact CD1-CH2 3.86Å; L120-W124 HydrophobicContact CD1-CZ2 3.48Å; L120-W124 VanDerWaalsContact CD1-CZ2 3.48Å; L120-W124 HydrophobicContact CD1-CZ3 4.08Å; W124-R126 VanDerWaalsContact C-N 3.32Å; W124-R126 PolarHBondContact O-N 3.35Å; W124-A127 WeakPolarHBondContact O-CB 3.47Å; W124-A127 PolarHBondContact O-N 3.47Å
125Y89.1Confident91Very high65 Ų6568.8 Ų68.826%0.25534%0.343SS..THydrogen-bonded Turntrans-58.6-39.1-172.3-59.4-61.1000113.6Y122 G123 A127 E128 L312 T313 H349Y122-Y125 WeakPolarHBondContact O-CD2 3.42Å; Y122-Y125 WeakPolarHBondContact O-CE2 3.36Å; G123-Y125 VanDerWaalsContact C-N 3.32Å; G123-Y125 PolarHBondContact O-N 2.91Å; Y125-A127 PolarHBondContact O-N 3.43Å; Y125-A127 VanDerWaalsContact O-N 3.09Å; Y125-E128 PolarHBondContact O-N 3.29Å; Y125-L312 HydrophobicContact CD2-CD1 4.39Å; Y125-T313 WeakPolarHBondContact O-CG2 3.3Å; Y125-H349 AromaticContact CE2-NE2 3.63Å
126R92.2Very high91.2Very high73 Ų7363.9 Ų63.928%0.27531%0.311SS..THydrogen-bonded Turntrans-63.8-13.5176.9-74.2-174.1176.1173.34.6113.8W124 E128 I129 L130 E280 L312W124-R126 VanDerWaalsContact C-N 3.32Å; W124-R126 PolarHBondContact O-N 3.35Å; R126-E128 PolarHBondContact O-N 2.92Å; R126-I129 WeakPolarHBondContact O-CB 3.33Å; R126-I129 PolarHBondContact O-N 3.42Å; R126-I129 VanDerWaalsContact O-N 3.08Å; R126-L130 PolarHBondContact O-N 3Å; R126-E280 IonicContact CZ-OE1 3.98Å; R126-E280 IonicContact NH1-OE1 3.66Å; R126-E280 PolarHBondContact NH1-OE1 3.32Å; R126-E280 VanDerWaalsContact NH1-OE1 3.16Å; R126-E280 IonicContact NH2-OE1 2.74Å; R126-E280 PolarHBondContact NH2-OE1 3.43Å; R126-L312 VanDerWaalsContact CG-O 3.32Å; R126-L312 WeakPolarHBondContact CG-O 3.5Å
127A92.6Very high91.5Very high12 Ų1263.6 Ų63.610%0.09930%0.303CS..Hα-helixtrans-58.6-32.1173.300000112.4S108 L111 W124 Y125 I129 L130 G131S108-A127 WeakPolarHBondContact CB-O 3.33Å; L111-A127 HydrophobicContact CB-CB 4.04Å; L111-A127 HydrophobicContact CD2-CB 3.83Å; L111-A127 HydrophobicContact CG-CB 3.9Å; W124-A127 WeakPolarHBondContact O-CB 3.47Å; W124-A127 PolarHBondContact O-N 3.47Å; Y125-A127 PolarHBondContact O-N 3.43Å; Y125-A127 VanDerWaalsContact O-N 3.09Å; A127-I129 VanDerWaalsContact C-N 3.33Å; A127-L130 PolarHBondContact O-N 3.32Å; A127-G131 PolarHBondContact O-N 2.89Å
128E91.6Very high91.5Very high13 Ų1361.9 Ų61.96%0.06129%0.292CS..Hα-helixtrans-63.7-40.5175-67.3179.7-168.300111.9K55 L109 S112 Y125 R126 G131 A132 S217K55-E128 IonicContact NZ-OE1 3.76Å; L109-E128 HydrophobicContact CD2-CG 4.14Å; S112-E128 WeakPolarHBondContact CB-OE1 3.39Å; S112-E128 VanDerWaalsContact OG-CG 3.28Å; S112-E128 WeakPolarHBondContact OG-CG 3.35Å; S112-E128 PolarHBondContact OG-OE1 2.92Å; Y125-E128 PolarHBondContact O-N 3.29Å; R126-E128 PolarHBondContact O-N 2.92Å; E128-G131 PolarHBondContact O-N 3.03Å; E128-A132 VanDerWaalsContact O-CB 3.32Å; E128-A132 WeakPolarHBondContact O-CB 2.93Å; E128-A132 PolarHBondContact O-N 2.69Å; E128-S217 PolarHBondContact O-OG 3.35Å
129I92.8Very high91.5Very high0 Ų053.4 Ų53.40%025%0.253CS..Hα-helixtrans-68.3-42.8179.7-53.7-58.6000110.1R126 A127 A132 L133 A216 I274 V277 L278 M314R126-I129 WeakPolarHBondContact O-CB 3.33Å; R126-I129 PolarHBondContact O-N 3.42Å; R126-I129 VanDerWaalsContact O-N 3.08Å; A127-I129 VanDerWaalsContact C-N 3.33Å; I129-A132 PolarHBondContact O-N 3.1Å; I129-L133 WeakPolarHBondContact O-CB 2.96Å; I129-L133 PolarHBondContact O-N 2.96Å; I129-A216 HydrophobicContact CD1-CB 3.64Å; I129-I274 HydrophobicContact CG2-CB 4.44Å; I129-I274 HydrophobicContact CG2-CG2 3.69Å; I129-V277 HydrophobicContact CD1-CG1 4.16Å; I129-V277 HydrophobicContact CG1-CG1 3.95Å; I129-V277 HydrophobicContact CG2-CB 4.41Å; I129-V277 HydrophobicContact CG2-CG1 4.31Å; I129-L278 HydrophobicContact CB-CD2 4.49Å; I129-L278 HydrophobicContact CG2-CD1 4.41Å; I129-L278 HydrophobicContact CG2-CD2 3.83Å; I129-L278 HydrophobicContact CG2-CG 3.83Å; I129-M314 HydrophobicContact CD1-CG 4.48Å; I129-M314 HydrophobicContact CD1-SD 4.25Å
130L93.8Very high91.6Very high96 Ų9645.9 Ų45.950%0.50322%0.224SC..Hα-helixtrans-66-39.7175.6-66.1174.8000112.5R126 A127 L133 L134 L278R126-L130 PolarHBondContact O-N 3Å; A127-L130 PolarHBondContact O-N 3.32Å; L130-L133 WeakPolarHBondContact O-CB 3.49Å; L130-L133 PolarHBondContact O-N 2.81Å; L130-L134 PolarHBondContact O-N 3Å; L130-L278 HydrophobicContact CD2-CD1 4.47Å; L130-L278 HydrophobicContact CD2-CD2 4.1Å
131G93.4Very high91.7Very high7 Ų748.1 Ų48.17%0.07224%0.236CC..Hα-helixtrans-63.4-46.2174.500000112A127 E128 L133 L134 S135A127-G131 PolarHBondContact O-N 2.89Å; E128-G131 PolarHBondContact O-N 3.03Å; G131-L133 VanDerWaalsContact C-N 3.33Å; G131-L133 PolarHBondContact O-N 3.09Å; G131-L134 PolarHBondContact O-N 3.48Å; G131-S135 PolarHBondContact O-N 2.9Å; G131-S135 PolarHBondContact O-OG 3.33Å
132A91.8Very high91.7Very high0 Ų044.7 Ų44.70%021%0.211CC..Hα-helixtrans-60.4-41.4174.900000112.1E128 I129 S135 V136 A216 A220 I274E128-A132 VanDerWaalsContact O-CB 3.32Å; E128-A132 WeakPolarHBondContact O-CB 2.93Å; E128-A132 PolarHBondContact O-N 2.69Å; I129-A132 PolarHBondContact O-N 3.1Å; A132-S135 PolarHBondContact O-N 3.44Å; A132-V136 WeakPolarHBondContact O-CG2 3.44Å; A132-V136 PolarHBondContact O-N 3.08Å; A132-A216 HydrophobicContact CB-CB 4.25Å; A132-A220 HydrophobicContact CB-CB 3.76Å; A132-I274 HydrophobicContact CB-CD1 3.74Å
133L94.1Very high91.9Very high24 Ų2439.8 Ų39.813%0.12619%0.192CC..Hα-helixtrans-59.7-47175.3-178.564.4000111.4I129 L130 G131 S135 V136 F137 M271 I274 L278I129-L133 WeakPolarHBondContact O-CB 2.96Å; I129-L133 PolarHBondContact O-N 2.96Å; L130-L133 WeakPolarHBondContact O-CB 3.49Å; L130-L133 PolarHBondContact O-N 2.81Å; G131-L133 VanDerWaalsContact C-N 3.33Å; G131-L133 PolarHBondContact O-N 3.09Å; L133-S135 PolarHBondContact O-N 3.06Å; L133-V136 PolarHBondContact O-N 3.27Å; L133-F137 HydrophobicContact CD1-CD2 4.15Å; L133-F137 HydrophobicContact CD1-CE2 3.56Å; L133-F137 HydrophobicContact CD1-CZ 4.06Å; L133-F137 HydrophobicContact CD2-CE2 4.02Å; L133-F137 HydrophobicContact CG-CD2 3.92Å; L133-F137 HydrophobicContact CG-CE2 3.53Å; L133-F137 HydrophobicContact CG-CZ 4.49Å; L133-F137 VanDerWaalsContact O-CD2 3.26Å; L133-F137 WeakPolarHBondContact O-CD2 3.49Å; L133-F137 PolarHBondContact O-N 3.09Å; L133-M271 HydrophobicContact CD1-CE 3.84Å; L133-M271 HydrophobicContact CD1-SD 3.26Å; L133-M271 WeakPolarHBondContact CD1-SD 3.38Å; L133-I274 HydrophobicContact CB-CG2 3.89Å; L133-I274 HydrophobicContact CD1-CG2 3.99Å; L133-I274 HydrophobicContact CG-CG2 4.42Å; L133-L278 HydrophobicContact CD2-CD1 3.96Å
134L93.2Very high91.9Very high92 Ų9241 Ų4148%0.48221%0.205SC..Hα-helixtrans-61.6-43.2178-177.461.9000111.6I104 L130 G131 V136 F137 T138I104-L134 HydrophobicContact CD1-CD2 3.83Å; I104-L134 HydrophobicContact CD1-CG 4.08Å; I104-L134 HydrophobicContact CG1-CD2 4.12Å; I104-L134 HydrophobicContact CG2-CB 4.29Å; I104-L134 HydrophobicContact CG2-CD2 3.9Å; I104-L134 HydrophobicContact CG2-CG 4.31Å; L130-L134 PolarHBondContact O-N 3Å; G131-L134 PolarHBondContact O-N 3.48Å; L134-V136 PolarHBondContact O-N 3.26Å; L134-F137 PolarHBondContact O-N 3.44Å; L134-T138 PolarHBondContact O-N 2.86Å; L134-T138 PolarHBondContact O-OG1 3.29Å
135S91.8Very high91.9Very high0 Ų040.7 Ų40.70%021%0.213CC..Hα-helixtrans-60.2-43.4175.2-62.80000112.4G131 A132 L133 F137 T138 I139G131-S135 PolarHBondContact O-N 2.9Å; G131-S135 PolarHBondContact O-OG 3.33Å; A132-S135 PolarHBondContact O-N 3.44Å; L133-S135 PolarHBondContact O-N 3.06Å; S135-F137 VanDerWaalsContact C-N 3.32Å; S135-F137 PolarHBondContact O-N 2.9Å; S135-T138 WeakPolarHBondContact O-CB 3.36Å; S135-T138 PolarHBondContact O-N 3.44Å; S135-I139 WeakPolarHBondContact O-CG1 3.37Å; S135-I139 PolarHBondContact O-N 3.42Å; S135-I139 VanDerWaalsContact O-N 3.09Å
136V91.9Very high91.8Very high2 Ų238.5 Ų38.51%0.01221%0.205CC..Hα-helixtrans-63.2-39176.6175.60000111.5A132 L133 L134 T138 I139 W140 I270 M271 I274A132-V136 WeakPolarHBondContact O-CG2 3.44Å; A132-V136 PolarHBondContact O-N 3.08Å; L133-V136 PolarHBondContact O-N 3.27Å; L134-V136 PolarHBondContact O-N 3.26Å; V136-T138 VanDerWaalsContact C-N 3.35Å; V136-I139 WeakPolarHBondContact O-CB 3.39Å; V136-I139 PolarHBondContact O-N 3.49Å; V136-W140 PolarHBondContact O-N 3.21Å; V136-W140 VanDerWaalsContact O-N 3.11Å; V136-I270 HydrophobicContact CG2-CG2 4.27Å; V136-M271 HydrophobicContact CB-CE 4.28Å; V136-M271 HydrophobicContact CG1-CB 4.5Å; V136-M271 HydrophobicContact CG1-CE 3.66Å; V136-I274 HydrophobicContact CG2-CD1 4.43Å
137F93.5Very high91.8Very high85 Ų8537 Ų3737%0.37320%0.204SC..Hα-helixtrans-64.1-38.9174-76.9-53.4000112.7L133 L134 S135 I139 W140 I141 M271L133-F137 HydrophobicContact CD1-CD2 4.15Å; L133-F137 HydrophobicContact CD1-CE2 3.56Å; L133-F137 HydrophobicContact CD1-CZ 4.06Å; L133-F137 HydrophobicContact CD2-CE2 4.02Å; L133-F137 HydrophobicContact CG-CD2 3.92Å; L133-F137 HydrophobicContact CG-CE2 3.53Å; L133-F137 HydrophobicContact CG-CZ 4.49Å; L133-F137 VanDerWaalsContact O-CD2 3.26Å; L133-F137 WeakPolarHBondContact O-CD2 3.49Å; L133-F137 PolarHBondContact O-N 3.09Å; L134-F137 PolarHBondContact O-N 3.44Å; S135-F137 VanDerWaalsContact C-N 3.32Å; S135-F137 PolarHBondContact O-N 2.9Å; F137-I139 VanDerWaalsContact C-N 3.3Å; F137-I139 PolarHBondContact O-N 3.3Å; F137-W140 HydrophobicContact CD1-CE3 4.33Å; F137-W140 HydrophobicContact CE1-CE3 4.41Å; F137-W140 HydrophobicContact CE1-CZ3 4.46Å; F137-W140 PolarHBondContact O-N 3.28Å; F137-I141 WeakPolarHBondContact O-CG1 3.26Å; F137-I141 PolarHBondContact O-N 3.15Å; F137-M271 HydrophobicContact CD1-CE 3.98Å; F137-M271 HydrophobicContact CE1-CE 3.6Å; F137-M271 HydrophobicContact CE2-CE 4.33Å; F137-M271 HydrophobicContact CG-CE 4.47Å; F137-M271 HydrophobicContact CZ-CE 3.8Å
138T90.6Very high91.8Very high27 Ų2743.6 Ų43.617%0.16623%0.227CC..Hα-helixtrans-57.5-44.8173.1-56.40000111L134 S135 V136 W140 I141 V142L134-T138 PolarHBondContact O-N 2.86Å; L134-T138 PolarHBondContact O-OG1 3.29Å; S135-T138 WeakPolarHBondContact O-CB 3.36Å; S135-T138 PolarHBondContact O-N 3.44Å; V136-T138 VanDerWaalsContact C-N 3.35Å; T138-W140 VanDerWaalsContact C-N 3.32Å; T138-W140 PolarHBondContact O-N 3.25Å; T138-I141 PolarHBondContact O-N 3.24Å; T138-V142 HydrophobicContact CG2-CG2 4.38Å; T138-V142 WeakPolarHBondContact O-CG2 3.38Å; T138-V142 PolarHBondContact O-N 3.29Å
139I89.8Confident91.6Very high14 Ų1445.7 Ų45.77%0.07224%0.239CC..Hα-helixtrans-57.1-46.3175.8-63.5168.2000111S135 V136 F137 I141 V142 T143 H224 V263 T267S135-I139 WeakPolarHBondContact O-CG1 3.37Å; S135-I139 PolarHBondContact O-N 3.42Å; S135-I139 VanDerWaalsContact O-N 3.09Å; V136-I139 WeakPolarHBondContact O-CB 3.39Å; V136-I139 PolarHBondContact O-N 3.49Å; F137-I139 VanDerWaalsContact C-N 3.3Å; F137-I139 PolarHBondContact O-N 3.3Å; I139-I141 PolarHBondContact O-N 3.34Å; I139-V142 PolarHBondContact O-N 3.49Å; I139-T143 VanDerWaalsContact O-CB 3.27Å; I139-T143 WeakPolarHBondContact O-CB 3.26Å; I139-T143 PolarHBondContact O-N 3.44Å; I139-T143 PolarHBondContact O-OG1 2.85Å; I139-H224 HydrophobicContact CD1-CB 3.91Å; I139-H224 HydrophobicContact CG1-CB 4.49Å; I139-H224 WeakPolarHBondContact CG1-ND1 3.46Å; I139-V263 HydrophobicContact CG2-CG1 3.36Å; I139-T267 HydrophobicContact CD1-CG2 4.06Å; I139-T267 HydrophobicContact CG2-CG2 4.1Å
140W92.8Very high91.4Very high81 Ų8145.8 Ų45.831%0.30724%0.239SC..Hα-helixtrans-65.4-38.6-179.3-72.610.7000112.5V136 F137 T138 G144 L264 T267 M271V136-W140 PolarHBondContact O-N 3.21Å; V136-W140 VanDerWaalsContact O-N 3.11Å; F137-W140 HydrophobicContact CD1-CE3 4.33Å; F137-W140 HydrophobicContact CE1-CE3 4.41Å; F137-W140 HydrophobicContact CE1-CZ3 4.46Å; F137-W140 PolarHBondContact O-N 3.28Å; T138-W140 VanDerWaalsContact C-N 3.32Å; T138-W140 PolarHBondContact O-N 3.25Å; W140-G144 PolarHBondContact O-N 3.33Å; W140-L264 HydrophobicContact CD2-CD2 4.47Å; W140-L264 HydrophobicContact CG-CD2 4.18Å; W140-T267 PolarHBondContact NE1-OG1 3.2Å; W140-M271 HydrophobicContact CH2-CE 3.98Å; W140-M271 HydrophobicContact CH2-CG 4.24Å; W140-M271 HydrophobicContact CZ2-CB 4.41Å; W140-M271 HydrophobicContact CZ2-CE 4.14Å; W140-M271 HydrophobicContact CZ2-CG 4.43Å; W140-M271 HydrophobicContact CZ3-CE 4.19Å
141I92.6Very high91.3Very high115 Ų11544.3 Ų44.359%0.5923%0.234SC*.Hα-helixtrans-63.6-50.6175.6-68.4166.8000110F137 T138 I139 T143 G144 V145F137-I141 WeakPolarHBondContact O-CG1 3.26Å; F137-I141 PolarHBondContact O-N 3.15Å; T138-I141 PolarHBondContact O-N 3.24Å; I139-I141 PolarHBondContact O-N 3.34Å; I141-T143 PolarHBondContact O-N 2.78Å; I141-G144 PolarHBondContact O-N 3.15Å; I141-V145 WeakPolarHBondContact O-CG2 3.32Å; I141-V145 PolarHBondContact O-N 2.87Å
142V88.9Confident91.1Very high22 Ų2247.8 Ų47.813%0.13325%0.249CC..Hα-helixtrans-61-44.7179.2173.10000111.1T97 T138 I139 G144 V145 L146T97-V142 HydrophobicContact CG2-CG2 3.87Å; T138-V142 HydrophobicContact CG2-CG2 4.38Å; T138-V142 WeakPolarHBondContact O-CG2 3.38Å; T138-V142 PolarHBondContact O-N 3.29Å; I139-V142 PolarHBondContact O-N 3.49Å; V142-G144 VanDerWaalsContact C-N 3.33Å; V142-G144 PolarHBondContact O-N 3.48Å; V142-V145 PolarHBondContact O-N 3.06Å; V142-L146 HydrophobicContact CG1-CD1 4.3Å; V142-L146 WeakPolarHBondContact O-CG 3.36Å; V142-L146 PolarHBondContact O-N 3.4Å
143T90.3Very high90.8Very high6 Ų651.8 Ų51.84%0.03726%0.264CS..Hα-helixtrans-60.3-43.2175.8-560000111.1I139 I141 V145 L146 V147 L264I139-T143 VanDerWaalsContact O-CB 3.27Å; I139-T143 WeakPolarHBondContact O-CB 3.26Å; I139-T143 PolarHBondContact O-N 3.44Å; I139-T143 PolarHBondContact O-OG1 2.85Å; I141-T143 PolarHBondContact O-N 2.78Å; T143-V145 PolarHBondContact O-N 3.3Å; T143-L146 PolarHBondContact O-N 3.42Å; T143-V147 HydrophobicContact CG2-CG2 4.46Å; T143-V147 VanDerWaalsContact O-CG2 3.3Å; T143-V147 WeakPolarHBondContact O-CG2 3.14Å; T143-V147 PolarHBondContact O-N 2.98Å; T143-L264 HydrophobicContact CG2-CG 4.44Å
144G92.6Very high90.5Very high41 Ų4154.2 Ų54.242%0.42328%0.276SS..Hα-helixtrans-62-41.7176.700000112.8W140 I141 V142 V147 Y148W140-G144 PolarHBondContact O-N 3.33Å; I141-G144 PolarHBondContact O-N 3.15Å; V142-G144 VanDerWaalsContact C-N 3.33Å; V142-G144 PolarHBondContact O-N 3.48Å; G144-V147 PolarHBondContact O-N 2.85Å; G144-Y148 WeakPolarHBondContact O-CB 3.26Å; G144-Y148 PolarHBondContact O-N 3.41Å
145V90.1Very high90.4Very high79 Ų7954.7 Ų54.748%0.47928%0.282SS..Hα-helixtrans-62.7-45.1174.4172.10000110.9I141 V142 T143 V147 Y148 L149I141-V145 WeakPolarHBondContact O-CG2 3.32Å; I141-V145 PolarHBondContact O-N 2.87Å; V142-V145 PolarHBondContact O-N 3.06Å; T143-V145 PolarHBondContact O-N 3.3Å; V145-V147 PolarHBondContact O-N 3.15Å; V145-Y148 WeakPolarHBondContact O-CB 3.48Å; V145-Y148 PolarHBondContact O-N 2.9Å; V145-L149 HydrophobicContact CG1-CD1 4.07Å; V145-L149 HydrophobicContact CG1-CG 4.4Å; V145-L149 WeakPolarHBondContact O-CG 3.49Å; V145-L149 PolarHBondContact O-N 3.35Å
146L87.5Confident90.1Very high19 Ų1960.7 Ų60.710%0.09931%0.31CS..Hα-helixtrans-61.7-44.1177.5-76.7173.8000113.1H94 V142 T143 Y148 L149 A150 Q231 T256H94-L146 VanDerWaalsContact CE1-CD2 3.49Å; H94-L146 WeakPolarHBondContact CE1-CD2 3.41Å; H94-L146 VanDerWaalsContact NE2-CD2 3.29Å; H94-L146 WeakPolarHBondContact NE2-CD2 3.31Å; V142-L146 HydrophobicContact CG1-CD1 4.3Å; V142-L146 WeakPolarHBondContact O-CG 3.36Å; V142-L146 PolarHBondContact O-N 3.4Å; T143-L146 PolarHBondContact O-N 3.42Å; L146-Y148 VanDerWaalsContact C-N 3.32Å; L146-L149 PolarHBondContact O-N 3.26Å; L146-A150 WeakPolarHBondContact O-CB 3.43Å; L146-A150 PolarHBondContact O-N 3.43Å; L146-Q231 VanDerWaalsContact CD1-CD 3.48Å; L146-Q231 VanDerWaalsContact CD1-OE1 3.3Å; L146-T256 HydrophobicContact CB-CG2 4.2Å
147V92.1Very high89.2Confident42 Ų4265 Ų6526%0.25533%0.334SS..Hα-helixtrans-61.8-43.6175.6169.30000110.5T143 G144 V145 A150 V151 F257 S260T143-V147 HydrophobicContact CG2-CG2 4.46Å; T143-V147 VanDerWaalsContact O-CG2 3.3Å; T143-V147 WeakPolarHBondContact O-CG2 3.14Å; T143-V147 PolarHBondContact O-N 2.98Å; G144-V147 PolarHBondContact O-N 2.85Å; V145-V147 PolarHBondContact O-N 3.15Å; V147-A150 PolarHBondContact O-N 3.26Å; V147-V151 WeakPolarHBondContact O-CG2 3.48Å; V147-V151 PolarHBondContact O-N 3.01Å; V147-F257 HydrophobicContact CG1-CD1 4.21Å; V147-F257 HydrophobicContact CG1-CE1 3.79Å; V147-S260 VanDerWaalsContact CG2-OG 3.24Å; V147-S260 WeakPolarHBondContact CG2-OG 3.42Å
148Y92.3Very high87.9Confident150 Ų15068.2 Ų68.259%0.58835%0.354SS*.Hα-helixtrans-59.4-48.3175.5173.8-91.5000111.7G144 V145 L146 A150 V151 E152G144-Y148 WeakPolarHBondContact O-CB 3.26Å; G144-Y148 PolarHBondContact O-N 3.41Å; V145-Y148 WeakPolarHBondContact O-CB 3.48Å; V145-Y148 PolarHBondContact O-N 2.9Å; L146-Y148 VanDerWaalsContact C-N 3.32Å; Y148-A150 VanDerWaalsContact C-N 3.31Å; Y148-A150 PolarHBondContact O-N 2.82Å; Y148-V151 WeakPolarHBondContact O-CB 3.28Å; Y148-V151 PolarHBondContact O-N 3.05Å; Y148-E152 PolarHBondContact O-N 3.28Å
149L88.2Confident86.9Confident58 Ų5868.8 Ų68.830%0.30435%0.354SS..Hα-helixtrans-62.9-36.5177-67.7174.8000112.1V145 L146 E152 R153V145-L149 HydrophobicContact CG1-CD1 4.07Å; V145-L149 HydrophobicContact CG1-CG 4.4Å; V145-L149 WeakPolarHBondContact O-CG 3.49Å; V145-L149 PolarHBondContact O-N 3.35Å; L146-L149 PolarHBondContact O-N 3.26Å; L149-E152 PolarHBondContact O-N 2.87Å; L149-R153 VanDerWaalsContact O-CG 3.32Å; L149-R153 WeakPolarHBondContact O-CG 3.41Å; L149-R153 PolarHBondContact O-N 3.04Å
150A88.1Confident85.7Confident1 Ų177.7 Ų77.71%0.00840%0.395CS..Hα-helixtrans-65.6-40.4175.200000112L146 V147 Y148 R153 I154 P253 T256 F257L146-A150 WeakPolarHBondContact O-CB 3.43Å; L146-A150 PolarHBondContact O-N 3.43Å; V147-A150 PolarHBondContact O-N 3.26Å; Y148-A150 VanDerWaalsContact C-N 3.31Å; Y148-A150 PolarHBondContact O-N 2.82Å; A150-R153 PolarHBondContact O-N 2.9Å; A150-I154 WeakPolarHBondContact O-CG1 3.34Å; A150-I154 PolarHBondContact O-N 2.96Å; A150-P253 HydrophobicContact CB-CB 4.29Å; A150-T256 HydrophobicContact CB-CG2 3.96Å; A150-F257 HydrophobicContact CB-CE2 4.22Å; A150-F257 HydrophobicContact CB-CZ 4.22Å
151V91.4Very high84.5Confident66 Ų6676.2 Ų76.240%0.439%0.393SS..Hα-helixtrans-62.5-45.4172.4173.60000110.4V147 Y148 R153 I154 V155 F257V147-V151 WeakPolarHBondContact O-CG2 3.48Å; V147-V151 PolarHBondContact O-N 3.01Å; Y148-V151 WeakPolarHBondContact O-CB 3.28Å; Y148-V151 PolarHBondContact O-N 3.05Å; V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.05Å; V151-I154 PolarHBondContact O-N 3.17Å; V151-I154 VanDerWaalsContact O-N 3.13Å; V151-V155 HydrophobicContact CG1-CG2 4.19Å; V151-V155 WeakPolarHBondContact O-CG2 3.28Å; V151-V155 PolarHBondContact O-N 3.47Å; V151-F257 HydrophobicContact CG2-CE1 3.95Å; V151-F257 HydrophobicContact CG2-CZ 3.6Å
152E88.9Confident83.7Confident79 Ų7977.2 Ų77.237%0.36940%0.395SS..Hα-helixtrans-59.2-41.9179.7-170.6176-141.400112Y148 L149 I154 V155 H156Y148-E152 PolarHBondContact O-N 3.28Å; L149-E152 PolarHBondContact O-N 2.87Å; E152-I154 VanDerWaalsContact C-N 3.34Å; E152-I154 PolarHBondContact O-N 3.39Å; E152-V155 PolarHBondContact O-N 2.92Å; E152-H156 WeakPolarHBondContact CG-ND1 2.88Å; E152-H156 PolarHBondContact O-N 3.29Å; E152-H156 PolarHBondContact O-ND1 2.91Å; E152-H156 VanDerWaalsContact O-ND1 3.09Å
153R85.9Confident83.1Confident85 Ų8576.7 Ų76.732%0.32139%0.394SS..Hα-helixtrans-59.2-40.7174.2-73.9173.2-170.6167.76.4112.5L149 A150 V151 D157 Y159 D252 P253L149-R153 VanDerWaalsContact O-CG 3.32Å; L149-R153 WeakPolarHBondContact O-CG 3.41Å; L149-R153 PolarHBondContact O-N 3.04Å; A150-R153 PolarHBondContact O-N 2.9Å; V151-R153 VanDerWaalsContact C-N 3.32Å; V151-R153 PolarHBondContact O-N 3.05Å; R153-D157 PolarHBondContact O-N 3.41Å; R153-Y159 HydrophobicContact CB-CD1 4.18Å; R153-Y159 HydrophobicContact CB-CE1 3.94Å; R153-Y159 HydrophobicContact CG-CD1 4.39Å; R153-Y159 WeakPolarHBondContact O-CE1 3.25Å; R153-D252 IonicContact CZ-OD2 2.97Å; R153-D252 IonicContact NH1-OD1 2.68Å; R153-D252 IonicContact NH1-OD2 2.76Å; R153-D252 PolarHBondContact NH1-OD2 3.3Å; R153-P253 HydrophobicContact CB-CG 4.18Å
154I88.4Confident82.8Confident74 Ų7482.3 Ų82.338%0.37942%0.42SS..Hα-helixtrans-69.6-40.9178.4-66.3179.2000111.6A150 V151 E152 I250 P253 F257A150-I154 WeakPolarHBondContact O-CG1 3.34Å; A150-I154 PolarHBondContact O-N 2.96Å; V151-I154 PolarHBondContact O-N 3.17Å; V151-I154 VanDerWaalsContact O-N 3.13Å; E152-I154 VanDerWaalsContact C-N 3.34Å; E152-I154 PolarHBondContact O-N 3.39Å; I154-I250 HydrophobicContact CD1-CD1 4.07Å; I154-I250 HydrophobicContact CG1-CD1 3.7Å; I154-P253 HydrophobicContact CD1-CB 3.71Å; I154-P253 HydrophobicContact CD1-CG 4.5Å; I154-P253 HydrophobicContact CG1-CB 3.7Å; I154-P253 HydrophobicContact CG1-CG 3.96Å; I154-F257 HydrophobicContact CD1-CE2 3.74Å; I154-F257 HydrophobicContact CD1-CZ 4.47Å
155V90.8Very high82.3Confident102 Ų10281.9 Ų81.962%0.61841%0.408SS*.Hα-helixtrans-76-42.1-173.1172.90000112V151 E152V151-V155 HydrophobicContact CG1-CG2 4.19Å; V151-V155 WeakPolarHBondContact O-CG2 3.28Å; V151-V155 PolarHBondContact O-N 3.47Å; E152-V155 PolarHBondContact O-N 2.92Å
156H85.3Confident82Confident127 Ų12779 Ų7959%0.58839%0.39SS*.Hα-helixtrans-89.2-21.2-173.8-64.695.6000113.7E152 D158E152-H156 WeakPolarHBondContact CG-ND1 2.88Å; E152-H156 PolarHBondContact O-N 3.29Å; E152-H156 PolarHBondContact O-ND1 2.91Å; E152-H156 VanDerWaalsContact O-ND1 3.09Å; H156-D158 PolarHBondContact O-N 3.15Å
157D74.1Confident82Confident93 Ų9380.5 Ų80.550%0.49740%0.398SS..  trans51.12.1178.6-156.446.2000117.3R153 Y159 K249R153-D157 PolarHBondContact O-N 3.41Å; D157-Y159 PolarHBondContact O-N 3.26Å; D157-K249 PolarHBondContact O-NZ 3.18Å; D157-K249 WeakPolarHBondContact OD1-CE 3.47Å; D157-K249 IonicContact OD1-NZ 3.2Å; D157-K249 PolarHBondContact OD1-NZ 3.14Å; D157-K249 IonicContact OD2-NZ 3.16Å; D157-K249 PolarHBondContact OD2-NZ 3.05Å
158D66.2Low81.8Confident151 Ų15184.1 Ų84.181%0.80742%0.415SS*.  trans-95.164.3-177.8-174.314.2000111.5H156H156-D158 PolarHBondContact O-N 3.15Å
159Y68.7Low81.4Confident40 Ų4078 Ų7816%0.15739%0.393CS..  trans-136.9121.1172.468.8-80.6000110.9R153 D157 I161 K249R153-Y159 HydrophobicContact CB-CD1 4.18Å; R153-Y159 HydrophobicContact CB-CE1 3.94Å; R153-Y159 HydrophobicContact CG-CD1 4.39Å; R153-Y159 WeakPolarHBondContact O-CE1 3.25Å; D157-Y159 PolarHBondContact O-N 3.26Å; Y159-I161 HydrophobicContact CD2-CD1 3.71Å; Y159-I161 HydrophobicContact CD2-CG1 3.5Å; Y159-I161 VanDerWaalsContact CD2-CG1 3.5Å; Y159-I161 HydrophobicContact CE2-CD1 3.43Å; Y159-I161 VanDerWaalsContact CE2-CD1 3.43Å; Y159-I161 HydrophobicContact CE2-CG1 3.72Å; Y159-K249 HydrophobicContact CE1-CD 4.28Å; Y159-K249 HydrophobicContact CE2-CB 4.1Å; Y159-K249 HydrophobicContact CE2-CD 4.4Å; Y159-K249 PolarHBondContact OH-O 3.32Å
160E64Low81.4Confident200 Ų20075.3 Ų75.394%0.93538%0.379SS*.  trans-93118.1167.8-66.2-154.8162.100109
161I68.4Low81.5Confident50 Ų5076.4 Ų76.426%0.25639%0.39SS..  trans-95116.8173.7-59.2-172.5000108.1Y159 G163 M166 I242Y159-I161 HydrophobicContact CD2-CD1 3.71Å; Y159-I161 HydrophobicContact CD2-CG1 3.5Å; Y159-I161 VanDerWaalsContact CD2-CG1 3.5Å; Y159-I161 HydrophobicContact CE2-CD1 3.43Å; Y159-I161 VanDerWaalsContact CE2-CD1 3.43Å; Y159-I161 HydrophobicContact CE2-CG1 3.72Å; I161-G163 VanDerWaalsContact C-N 3.31Å; I161-G163 PolarHBondContact O-N 3.07Å; I161-M166 HydrophobicContact CD1-SD 4.26Å; I161-M166 HydrophobicContact CG2-CB 4.03Å; I161-M166 HydrophobicContact CG2-CG 4.33Å; I161-M166 HydrophobicContact CG2-SD 3.47Å; I161-M166 WeakPolarHBondContact CG2-SD 3.35Å; I161-I242 HydrophobicContact CB-CG2 4.49Å; I161-I242 HydrophobicContact CD1-CD1 3.9Å; I161-I242 HydrophobicContact CG2-CG2 4.41Å
162E74.8Confident81.4Confident136 Ų13676.3 Ų76.364%0.63639%0.392SS*.  trans-7390.3166-167.3161.7-142.600109.4H164 V165 M166E162-H164 PolarHBondContact O-N 2.89Å; E162-V165 HydrophobicContact CB-CB 4.49Å; E162-V165 HydrophobicContact CB-CG2 4.38Å; E162-V165 HydrophobicContact CG-CG2 4Å; E162-V165 PolarHBondContact O-N 3.5Å; E162-V165 WeakPolarHBondContact OE2-CG2 3.39Å; E162-M166 PolarHBondContact O-N 3.33Å; E162-M166 VanDerWaalsContact O-N 3.12Å
163G76.6Confident81.3Confident11 Ų1172.8 Ų72.811%0.11338%0.376CS..Hα-helixtrans-55.6-29-172.700000114.1I161 L167I161-G163 VanDerWaalsContact C-N 3.31Å; I161-G163 PolarHBondContact O-N 3.07Å; G163-L167 VanDerWaalsContact O-CB 3.24Å; G163-L167 WeakPolarHBondContact O-CB 3.4Å; G163-L167 PolarHBondContact O-N 3.29Å
164H84.1Confident81.6Confident125 Ų12569.5 Ų69.558%0.57937%0.366SS*.Hα-helixtrans-63.5-47.9174-77.5-85.6000112.7E162 L167 I168 F243E162-H164 PolarHBondContact O-N 2.89Å; H164-L167 PolarHBondContact O-N 3Å; H164-I168 WeakPolarHBondContact O-CG1 3.48Å; H164-I168 PolarHBondContact O-N 3.48Å; H164-F243 AromaticContact CE1-CE2 3.4Å; H164-F243 VanDerWaalsContact CE1-CE2 3.4Å; H164-F243 WeakPolarHBondContact CE1-CE2 3.43Å; H164-F243 AromaticContact CE1-CZ 3.92Å; H164-F243 AromaticContact ND1-CE2 3.56Å; H164-F243 AromaticContact NE2-CE2 3.74Å
165V82Confident81.8Confident31 Ų3169.7 Ų69.719%0.18837%0.37CS..Hα-helixtrans-68.4-45.2-179.2178.20000109.7S85 V88 E162 L167 I168 T169S85-V165 WeakPolarHBondContact OG-CG1 3.36Å; V88-V165 HydrophobicContact CG2-CG1 3.98Å; E162-V165 HydrophobicContact CB-CB 4.49Å; E162-V165 HydrophobicContact CB-CG2 4.38Å; E162-V165 HydrophobicContact CG-CG2 4Å; E162-V165 PolarHBondContact O-N 3.5Å; E162-V165 WeakPolarHBondContact OE2-CG2 3.39Å; V165-L167 VanDerWaalsContact C-N 3.3Å; V165-L167 PolarHBondContact O-N 2.85Å; V165-I168 PolarHBondContact O-N 2.58Å; V165-T169 HydrophobicContact CG1-CG2 4.17Å; V165-T169 WeakPolarHBondContact O-CG2 3.38Å; V165-T169 PolarHBondContact O-N 3.27Å; V165-T169 PolarHBondContact O-OG1 3.13Å; V165-T169 VanDerWaalsContact O-OG1 3.13Å
166M83.9Confident81.7Confident18 Ų1864.9 Ų64.99%0.08934%0.341CS..Hα-helixtrans-59.8-37.7177.8-169.7-172177.600112.6I161 E162 T169 S170 V235 A239 I242 D252I161-M166 HydrophobicContact CD1-SD 4.26Å; I161-M166 HydrophobicContact CG2-CB 4.03Å; I161-M166 HydrophobicContact CG2-CG 4.33Å; I161-M166 HydrophobicContact CG2-SD 3.47Å; I161-M166 WeakPolarHBondContact CG2-SD 3.35Å; E162-M166 PolarHBondContact O-N 3.33Å; E162-M166 VanDerWaalsContact O-N 3.12Å; M166-T169 WeakPolarHBondContact CA-OG1 3.28Å; M166-T169 PolarHBondContact O-OG1 3.49Å; M166-S170 VanDerWaalsContact O-CB 3.24Å; M166-S170 WeakPolarHBondContact O-CB 3.44Å; M166-S170 PolarHBondContact O-N 2.99Å; M166-S170 PolarHBondContact O-OG 3.3Å; M166-V235 HydrophobicContact CE-CG1 3.63Å; M166-A239 HydrophobicContact CB-CB 4.34Å; M166-A239 HydrophobicContact CE-CB 4.23Å; M166-A239 HydrophobicContact CG-CB 3.83Å; M166-A239 HydrophobicContact SD-CB 3.97Å; M166-I242 HydrophobicContact CE-CD1 4.46Å; M166-I242 HydrophobicContact SD-CD1 4.19Å; M166-D252 HydrophobicContact CE-CB 4.4Å; M166-D252 WeakPolarHBondContact CE-OD1 3.41Å
167L87.9Confident82Confident51 Ų5159.2 Ų59.227%0.26732%0.315SS..Hα-helixtrans-66.9-42.8177.8-174.969.4000111.9G163 H164 V165 S170 G171 L236 A239 I240 F243G163-L167 VanDerWaalsContact O-CB 3.24Å; G163-L167 WeakPolarHBondContact O-CB 3.4Å; G163-L167 PolarHBondContact O-N 3.29Å; H164-L167 PolarHBondContact O-N 3Å; V165-L167 VanDerWaalsContact C-N 3.3Å; V165-L167 PolarHBondContact O-N 2.85Å; L167-S170 PolarHBondContact O-OG 3.41Å; L167-G171 PolarHBondContact O-N 2.88Å; L167-G171 VanDerWaalsContact O-N 3.08Å; L167-L236 HydrophobicContact CD1-CD1 3.96Å; L167-A239 HydrophobicContact CB-CB 4.43Å; L167-A239 HydrophobicContact CD1-CB 4.26Å; L167-I240 HydrophobicContact CD1-CG1 3.62Å; L167-F243 HydrophobicContact CD2-CD2 4.24Å; L167-F243 HydrophobicContact CD2-CG 4.39Å
168I87.4Confident82.9Confident118 Ų11858.2 Ų58.261%0.60531%0.309SS*.Hα-helixtrans-67.7-47.6178.9-66.5170.6000110.4H164 V165 G171 C172H164-I168 WeakPolarHBondContact O-CG1 3.48Å; H164-I168 PolarHBondContact O-N 3.48Å; V165-I168 PolarHBondContact O-N 2.58Å; I168-G171 PolarHBondContact O-N 2.71Å; I168-C172 PolarHBondContact O-N 3.48Å; I168-C172 PolarHBondContact O-SG 3.03Å
169T85Confident84.2Confident21 Ų2154.2 Ų54.213%0.12929%0.287CS..Hα-helixtrans-64.6-49.8-177.855.70000111.6V88 V165 M166 G171 C172 A173V88-T169 HydrophobicContact CB-CG2 4.24Å; V88-T169 HydrophobicContact CG1-CG2 4.31Å; V88-T169 HydrophobicContact CG2-CG2 3.49Å; V88-T169 VanDerWaalsContact CG2-CG2 3.49Å; V165-T169 HydrophobicContact CG1-CG2 4.17Å; V165-T169 WeakPolarHBondContact O-CG2 3.38Å; V165-T169 PolarHBondContact O-N 3.27Å; V165-T169 PolarHBondContact O-OG1 3.13Å; V165-T169 VanDerWaalsContact O-OG1 3.13Å; M166-T169 WeakPolarHBondContact CA-OG1 3.28Å; M166-T169 PolarHBondContact O-OG1 3.49Å; T169-G171 VanDerWaalsContact C-N 3.26Å; T169-G171 PolarHBondContact O-N 2.72Å; T169-C172 WeakPolarHBondContact O-CB 3.01Å; T169-C172 PolarHBondContact O-N 2.83Å; T169-C172 VanDerWaalsContact O-N 3.09Å; T169-A173 PolarHBondContact O-N 2.65Å
170S87.3Confident85.2Confident2 Ų252.3 Ų52.31%0.01428%0.279CS..Hα-helixtrans-62.1-33.9177.460.30000112.7M166 L167 A173 V174 L236M166-S170 VanDerWaalsContact O-CB 3.24Å; M166-S170 WeakPolarHBondContact O-CB 3.44Å; M166-S170 PolarHBondContact O-N 2.99Å; M166-S170 PolarHBondContact O-OG 3.3Å; L167-S170 PolarHBondContact O-OG 3.41Å; S170-A173 PolarHBondContact O-N 3.43Å; S170-V174 VanDerWaalsContact O-CG2 3.31Å; S170-V174 WeakPolarHBondContact O-CG2 3.27Å; S170-V174 PolarHBondContact O-N 3.11Å; S170-L236 WeakPolarHBondContact OG-CA 3.14Å; S170-L236 WeakPolarHBondContact OG-CD1 3.48Å
171G90.9Very high86.5Confident24 Ų2443.3 Ų43.325%0.24724%0.239CC..Hα-helixtrans-62.2-46.9171.700000112.7L167 I168 T169 V174 V175L167-G171 PolarHBondContact O-N 2.88Å; L167-G171 VanDerWaalsContact O-N 3.08Å; I168-G171 PolarHBondContact O-N 2.71Å; T169-G171 VanDerWaalsContact C-N 3.26Å; T169-G171 PolarHBondContact O-N 2.72Å; G171-V174 PolarHBondContact O-N 3.4Å; G171-V175 WeakPolarHBondContact O-CG2 3.13Å; G171-V175 PolarHBondContact O-N 3.18Å; G171-V175 VanDerWaalsContact O-N 3.14Å
172C88.1Confident87.5Confident64 Ų6446.8 Ų46.843%0.43226%0.258SS..Hα-helixtrans-61.4-44.9174.7-72.20000112I168 T169 V174 V175 A176I168-C172 PolarHBondContact O-N 3.48Å; I168-C172 PolarHBondContact O-SG 3.03Å; T169-C172 WeakPolarHBondContact O-CB 3.01Å; T169-C172 PolarHBondContact O-N 2.83Å; T169-C172 VanDerWaalsContact O-N 3.09Å; C172-V174 PolarHBondContact O-N 3.48Å; C172-V175 PolarHBondContact O-N 3.43Å; C172-A176 PolarHBondContact O-N 3.43Å
173A88.1Confident88.2Confident5 Ų542.4 Ų42.44%0.04124%0.24CC..Hα-helixtrans-60-44.2178.400000112T169 S170 V175 A176 N177T169-A173 PolarHBondContact O-N 2.65Å; S170-A173 PolarHBondContact O-N 3.43Å; A173-V175 VanDerWaalsContact C-N 3.35Å; A173-V175 PolarHBondContact O-N 3.35Å; A173-A176 PolarHBondContact O-N 3.26Å; A173-N177 WeakPolarHBondContact O-CB 3.24Å; A173-N177 PolarHBondContact O-N 3.09Å; A173-N177 PolarHBondContact O-ND2 3.45Å
174V91.6Very high88.5Confident16 Ų1641.9 Ų41.910%0.09723%0.234CC..Hα-helixtrans-60.2-45.2175.11690000111S170 G171 C172 N177 I178 L229 S232 V233 L236S170-V174 VanDerWaalsContact O-CG2 3.31Å; S170-V174 WeakPolarHBondContact O-CG2 3.27Å; S170-V174 PolarHBondContact O-N 3.11Å; G171-V174 PolarHBondContact O-N 3.4Å; C172-V174 PolarHBondContact O-N 3.48Å; V174-N177 PolarHBondContact O-N 3.28Å; V174-I178 HydrophobicContact CG1-CD1 3.74Å; V174-I178 HydrophobicContact CG1-CG1 4.38Å; V174-I178 WeakPolarHBondContact O-CB 3.32Å; V174-I178 VanDerWaalsContact O-CG1 3.23Å; V174-I178 WeakPolarHBondContact O-CG1 3.49Å; V174-I178 PolarHBondContact O-N 3.02Å; V174-L229 HydrophobicContact CG1-CD1 4.35Å; V174-S232 VanDerWaalsContact CG2-C 3.4Å; V174-S232 WeakPolarHBondContact CG2-O 3.45Å; V174-V233 HydrophobicContact CG1-CG2 4.17Å; V174-V233 HydrophobicContact CG2-CG2 3.93Å; V174-L236 HydrophobicContact CB-CD2 4.43Å; V174-L236 HydrophobicContact CG2-CB 4.15Å; V174-L236 HydrophobicContact CG2-CD2 3.93Å
175V91.9Very high88.3Confident79 Ų7939.9 Ų39.948%0.47923%0.225SC..Hα-helixtrans-62.4-45.5178.11720000111.3G171 C172 A173 I178 I179G171-V175 WeakPolarHBondContact O-CG2 3.13Å; G171-V175 PolarHBondContact O-N 3.18Å; G171-V175 VanDerWaalsContact O-N 3.14Å; C172-V175 PolarHBondContact O-N 3.43Å; A173-V175 VanDerWaalsContact C-N 3.35Å; A173-V175 PolarHBondContact O-N 3.35Å; V175-I178 PolarHBondContact O-N 3.39Å; V175-I179 HydrophobicContact CG1-CD1 3.97Å; V175-I179 WeakPolarHBondContact O-CG1 3.4Å; V175-I179 PolarHBondContact O-N 2.87Å
176A89.7Confident87.4Confident0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-59.4-48177.300000111.4F72 C172 A173 I178 I179 M180F72-A176 HydrophobicContact CB-CB 4.49Å; F72-A176 HydrophobicContact CD1-CB 3.85Å; F72-A176 HydrophobicContact CD2-CB 3.66Å; F72-A176 HydrophobicContact CE1-CB 3.9Å; F72-A176 HydrophobicContact CE2-CB 3.7Å; F72-A176 HydrophobicContact CG-CB 3.75Å; F72-A176 HydrophobicContact CZ-CB 3.83Å; C172-A176 PolarHBondContact O-N 3.43Å; A173-A176 PolarHBondContact O-N 3.26Å; A176-I178 PolarHBondContact O-N 2.91Å; A176-I179 PolarHBondContact O-N 2.98Å; A176-M180 WeakPolarHBondContact O-CG 3.44Å; A176-M180 PolarHBondContact O-N 3.22Å
177N91.8Very high85.3Confident8 Ų846.3 Ų46.34%0.04327%0.265CS..Hα-helixtrans-65.4-35.3178.9-77.7-34.7000112.9A173 V174 M180 A181 D228 L229 S232A173-N177 WeakPolarHBondContact O-CB 3.24Å; A173-N177 PolarHBondContact O-N 3.09Å; A173-N177 PolarHBondContact O-ND2 3.45Å; V174-N177 PolarHBondContact O-N 3.28Å; N177-M180 PolarHBondContact O-N 2.98Å; N177-M180 WeakPolarHBondContact OD1-CE 3.12Å; N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 3.49Å; N177-D228 PolarHBondContact ND2-O 3.17Å; N177-L229 HydrophobicContact CB-CB 3.95Å; N177-L229 HydrophobicContact CB-CD1 3.75Å; N177-L229 HydrophobicContact CB-CG 4.45Å; N177-S232 PolarHBondContact ND2-OG 3.02Å
178I93.1Very high83.1Confident72 Ų7246.8 Ų46.837%0.36928%0.282SS..Hα-helixtrans-62.8-46.5172.1-71.7168.5000110.5V174 V175 A176 M180 A181 L182 L229V174-I178 HydrophobicContact CG1-CD1 3.74Å; V174-I178 HydrophobicContact CG1-CG1 4.38Å; V174-I178 WeakPolarHBondContact O-CB 3.32Å; V174-I178 VanDerWaalsContact O-CG1 3.23Å; V174-I178 WeakPolarHBondContact O-CG1 3.49Å; V174-I178 PolarHBondContact O-N 3.02Å; V175-I178 PolarHBondContact O-N 3.39Å; A176-I178 PolarHBondContact O-N 2.91Å; I178-M180 VanDerWaalsContact C-N 3.33Å; I178-M180 PolarHBondContact O-N 3.23Å; I178-A181 PolarHBondContact O-N 3.26Å; I178-L182 HydrophobicContact CG2-CD1 3.78Å; I178-L182 HydrophobicContact CG2-CG 4.24Å; I178-L182 WeakPolarHBondContact O-CB 3.34Å; I178-L182 VanDerWaalsContact O-CG 3.26Å; I178-L182 WeakPolarHBondContact O-CG 3.11Å; I178-L182 PolarHBondContact O-N 3.45Å; I178-L229 HydrophobicContact CG1-CD1 3.63Å; I178-L229 HydrophobicContact CG1-CD2 4.26Å
179I92.1Very high80.5Confident67 Ų6750.6 Ų50.634%0.34430%0.297SS..Hα-helixtrans-60.9-44.4178.9-67.6165.9000110.5I68 F72 V175 A176 T183I68-I179 HydrophobicContact CD1-CG2 4.12Å; I68-I179 HydrophobicContact CG2-CG2 4.21Å; F72-I179 HydrophobicContact CE2-CD1 4.38Å; F72-I179 HydrophobicContact CZ-CD1 4.09Å; V175-I179 HydrophobicContact CG1-CD1 3.97Å; V175-I179 WeakPolarHBondContact O-CG1 3.4Å; V175-I179 PolarHBondContact O-N 2.87Å; A176-I179 PolarHBondContact O-N 2.98Å; I179-T183 WeakPolarHBondContact O-CB 3.43Å; I179-T183 PolarHBondContact O-N 3.48Å; I179-T183 PolarHBondContact O-OG1 2.93Å
180M90.8Very high77.9Confident1 Ų152.9 Ų52.91%0.00533%0.325CS..Hα-helixtrans-63.5-45.1176.5-68.9-166.6-68.200111.7V65 I68 C69 F102 A176 N177 I178 L182 T183 L184 V225V65-M180 HydrophobicContact CG1-CB 4.2Å; V65-M180 HydrophobicContact CG1-CG 4.08Å; V65-M180 HydrophobicContact CG1-SD 3.99Å; I68-M180 HydrophobicContact CG2-CG 4.02Å; C69-M180 HydrophobicContact CB-SD 3.86Å; F102-M180 HydrophobicContact CE2-SD 4.16Å; A176-M180 WeakPolarHBondContact O-CG 3.44Å; A176-M180 PolarHBondContact O-N 3.22Å; N177-M180 PolarHBondContact O-N 2.98Å; N177-M180 WeakPolarHBondContact OD1-CE 3.12Å; I178-M180 VanDerWaalsContact C-N 3.33Å; I178-M180 PolarHBondContact O-N 3.23Å; M180-L182 PolarHBondContact O-N 3.25Å; M180-T183 PolarHBondContact O-N 3.49Å; M180-L184 WeakPolarHBondContact O-CB 3.32Å; M180-L184 PolarHBondContact O-N 3.43Å; M180-V225 HydrophobicContact CB-CG1 3.84Å; M180-V225 HydrophobicContact CB-CG2 4.43Å
181A90.9Very high75.3Confident10 Ų1060.8 Ų60.88%0.08336%0.361CS..Hα-helixtrans-61.1-45.2178.800000111.8N177 I178 T183 L184 H185 V225 M226 L229N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 3.49Å; I178-A181 PolarHBondContact O-N 3.26Å; A181-T183 VanDerWaalsContact C-N 3.34Å; A181-T183 PolarHBondContact O-N 2.96Å; A181-L184 PolarHBondContact O-N 3.28Å; A181-H185 WeakPolarHBondContact O-CB 3.38Å; A181-H185 PolarHBondContact O-N 2.96Å; A181-V225 HydrophobicContact CB-CG1 3.91Å; A181-M226 HydrophobicContact CB-CE 3.58Å; A181-M226 HydrophobicContact CB-SD 4.5Å; A181-L229 HydrophobicContact CB-CD2 4.48Å
182L90.4Very high72.5Confident124 Ų12465.2 Ų65.265%0.64939%0.388SS*.Hα-helixtrans-65.8-35.4177.5-70174.7000112.5I178 M180 L184I178-L182 HydrophobicContact CG2-CD1 3.78Å; I178-L182 HydrophobicContact CG2-CG 4.24Å; I178-L182 WeakPolarHBondContact O-CB 3.34Å; I178-L182 VanDerWaalsContact O-CG 3.26Å; I178-L182 WeakPolarHBondContact O-CG 3.11Å; I178-L182 PolarHBondContact O-N 3.45Å; M180-L182 PolarHBondContact O-N 3.25Å; L182-L184 VanDerWaalsContact C-N 3.33Å
183T88.5Confident70.1Confident43 Ų4370.4 Ų70.426%0.26441%0.406SS..Hα-helixtrans-67.8-36.3176.9-58.50000111.7V64 V65 I179 M180 A181V64-T183 HydrophobicContact CB-CG2 4.27Å; V64-T183 HydrophobicContact CG1-CG2 3.77Å; V65-T183 HydrophobicContact CG2-CG2 3.68Å; I179-T183 WeakPolarHBondContact O-CB 3.43Å; I179-T183 PolarHBondContact O-N 3.48Å; I179-T183 PolarHBondContact O-OG1 2.93Å; M180-T183 PolarHBondContact O-N 3.49Å; A181-T183 VanDerWaalsContact C-N 3.34Å; A181-T183 PolarHBondContact O-N 2.96Å
184L83.3Confident67.7Low0 Ų074.2 Ų74.20%045%0.445CS..Hα-helixtrans-88.5-19.3-178.8-160.153.4000112.9R61 L62 V65 M180 A181 L182 Q186 V218 A221 F222 V225R61-L184 HydrophobicContact CB-CD1 4.29Å; L62-L184 HydrophobicContact CD2-CD1 4.45Å; V65-L184 HydrophobicContact CG2-CB 4.43Å; M180-L184 WeakPolarHBondContact O-CB 3.32Å; M180-L184 PolarHBondContact O-N 3.43Å; A181-L184 PolarHBondContact O-N 3.28Å; L182-L184 VanDerWaalsContact C-N 3.33Å; L184-Q186 PolarHBondContact O-N 3.19Å; L184-V218 HydrophobicContact CD1-CG1 3.93Å; L184-A221 HydrophobicContact CD2-CB 3.99Å; L184-F222 HydrophobicContact CB-CD2 4.31Å; L184-F222 VanDerWaalsContact CD2-CA 3.44Å; L184-F222 HydrophobicContact CD2-CB 3.94Å; L184-F222 HydrophobicContact CG-CB 4.12Å; L184-F222 HydrophobicContact CG-CD2 4.25Å; L184-V225 HydrophobicContact CD2-CG2 4.25Å
185H79.4Confident64.7Low83 Ų8377.1 Ų77.138%0.38448%0.479SS..  trans-53.9127.5177.9-176.5-90.5000110.7A181 S187A181-H185 WeakPolarHBondContact O-CB 3.38Å; A181-H185 PolarHBondContact O-N 2.96Å; H185-S187 PolarHBondContact O-N 2.88Å
186Q62.9Low62.3Low77 Ų7782 Ų8236%0.3650%0.501SS..  trans-82.5102.5179-66.2168.319.800108.1L184 G188L184-Q186 PolarHBondContact O-N 3.19Å; Q186-G188 PolarHBondContact O-N 3.48Å
187S41.1Very low59.6Low107 Ų10786.9 Ų86.975%0.74854%0.542SS*.  trans-70.366.2162.6-57.20000109.9H185H185-S187 PolarHBondContact O-N 2.88Å
188G40.3Very low56.8Low61 Ų6191.6 Ų91.663%0.62958%0.575SS**  trans-109.6101.2162.700000107.2Q186 G190Q186-G188 PolarHBondContact O-N 3.48Å; G188-G190 PolarHBondContact O-N 3.29Å
189H34.2Very low54.1Low198 Ų19897.3 Ų97.392%0.91760%0.6SS**  trans-51128.1180-72.9-66.4000113.1
190G29.1Very low51.1Low69 Ų6997 Ų9771%0.71161%0.614SS**  trans141.764.6155.700000116.3G188 S192G188-G190 PolarHBondContact O-N 3.29Å; G190-S192 PolarHBondContact O-N 3.46Å
191H33.8Very low48.4Very low168 Ų168106 Ų10678%0.77866%0.655SS**  trans-76.4102.6156.9-66-72.5000108.4
192S30.8Very low45.7Very low117 Ų117109.6 Ų109.682%0.81868%0.68SS**  trans-100105157.161.80000107.9G190G190-S192 PolarHBondContact O-N 3.46Å
193H39.6Very low43Very low173 Ų173112.2 Ų112.280%0.80169%0.689SS**  trans-58.1146.8165.7-72.7-92.8000110.2
194G36Very low40.1Very low85 Ų85114.9 Ų114.988%0.87671%0.709SS**  trans-60.2146.5174.900000112.9
195G30.1Very low37.8Very low78 Ų78121.3 Ų121.380%0.80475%0.751SS**  trans177.8128.7174.700000111.4
196L40.5Very low35.4Very low181 Ų181126.5 Ų126.595%0.94877%0.772SS**  trans-48.8154.8-179-68.2138.5000116.1
197A32.9Very low34.2Very low102 Ų102134.2 Ų134.284%0.84380%0.798SS**  trans100.9126.6148.800000121.2
198S33.1Very low33.7Very low107 Ų107132 Ų13275%0.74879%0.793SS**  trans94.9113.9135.9-166.50000122.1
199H35.5Very low33.6Very low192 Ų192139.1 Ų139.189%0.88981%0.806SS**  trans27.5135.6141.4-73.7-64.9000123.7
200G30.7Very low34.3Very low62 Ų62135.4 Ų135.464%0.63978%0.784SS**  122.1109.5123.100000120.1
201H33.3Very low34.9Very low189 Ų189137.1 Ų137.188%0.87579%0.791SS**  trans58117.2145.8-58.5-69.1000124.7
202S34.5Very low35.8Very low86 Ų86132.7 Ų132.760%0.60177%0.771SS**  trans11122.414358.70000122.3
203H33Very low37.2Very low179 Ų179130.3 Ų130.383%0.82975%0.747SS**  167.1154.4100.6-88.8-69.3000111.3
204S28.9Very low38.5Very low99 Ų99123 Ų12369%0.69272%0.717SS**  trans79.3119.7-177.4-60.20000116.5K206S204-K206 PolarHBondContact O-N 3.25Å
205P33.4Very low40.5Very low135 Ų135120 Ų12088%0.87768%0.681SS**  trans-75.183.4169.732.6-30.1000107.8R207P205-R207 PolarHBondContact O-N 2.95Å; P205-R207 VanDerWaalsContact O-N 3.14Å
206K30.5Very low42.9Very low192 Ų192116.5 Ų116.584%0.83564%0.644SS**  trans-59.5118.2156.2-71.8-172.4179178.10105.3S204 G208S204-K206 PolarHBondContact O-N 3.25Å; K206-G208 VanDerWaalsContact C-N 3.28Å; K206-G208 PolarHBondContact O-N 3.18Å
207R36.1Very low45Very low238 Ų238107.9 Ų107.990%0.89860%0.599SS**  trans-44.799.5165.1-102.1176.8153.9-176.5-7106.7P205 K209P205-R207 PolarHBondContact O-N 2.95Å; P205-R207 VanDerWaalsContact O-N 3.14Å; R207-K209 PolarHBondContact O-N 2.98Å
208G32.6Very low47.4Very low62 Ų62103.2 Ų103.264%0.63956%0.56SS**  trans-56.7126.4178.100000106.7K206 R210K206-G208 VanDerWaalsContact C-N 3.28Å; K206-G208 PolarHBondContact O-N 3.18Å; G208-R210 PolarHBondContact O-N 3.39Å
209K36.8Very low49.8Very low210 Ų210100.3 Ų100.391%0.91353%0.532SS*.  trans-59.599.8167-74.6-174.4176.8-178.30105.5R207 A211R207-K209 PolarHBondContact O-N 2.98Å; K209-A211 PolarHBondContact O-N 3.24Å
210R49.2Very low52.2Low119 Ų11991.3 Ų91.345%0.44949%0.491SS..  trans-55.8124.2176.8-74177.6171.1179.4-5.5106.2G208 Q212 S344G208-R210 PolarHBondContact O-N 3.39Å; R210-Q212 VanDerWaalsContact C-N 3.26Å; R210-Q212 PolarHBondContact O-N 3.02Å; R210-S344 PolarHBondContact NH2-O 3.46Å
211A42Very low54.8Low105 Ų10588.4 Ų88.487%0.86846%0.461SS*.  trans-6692.8175.100000107.5K209K209-A211 PolarHBondContact O-N 3.24Å
212Q53.1Low57.4Low76 Ų7682 Ų8236%0.35543%0.431SS..PPolyproline II helixtrans-81121.5-175.7-157.499.1-25.100108.2E54 R210E54-Q212 WeakPolarHBondContact OE1-CG 3.3Å; E54-Q212 PolarHBondContact OE1-NE2 3.15Å; R210-Q212 VanDerWaalsContact C-N 3.26Å; R210-Q212 PolarHBondContact O-N 3.02Å
213Q60.4Low59.8Low67 Ų6779.3 Ų79.331%0.31341%0.411SS..PPolyproline II helixtrans-71.5146.6174.9-68-177.5-9.700109.3S284 N315Q213-S284 PolarHBondContact NE2-OG 3.01Å; Q213-S284 VanDerWaalsContact NE2-OG 3.11Å; Q213-N315 WeakPolarHBondContact CB-OD1 3.41Å; Q213-N315 PolarHBondContact O-ND2 2.98Å; Q213-N315 PolarHBondContact O-OD1 3.21Å
214A65.3Low62.4Low20 Ų2071 Ų7117%0.16537%0.372CS..PPolyproline II helixtrans-66.2153.3175.800000112.2A216 R219A214-A216 PolarHBondContact O-N 3.47Å; A214-R219 HydrophobicContact CB-CB 4.4Å
215N78.8Confident65.3Low22 Ų2266.3 Ų66.312%0.11834%0.339CS..PPolyproline II helixtrans-51.9136.9170.6-68-12.9000110.8A58 S217 V218 R219A58-N215 WeakPolarHBondContact CB-ND2 3.34Å; N215-S217 VanDerWaalsContact C-N 3.31Å; N215-S217 PolarHBondContact O-N 2.81Å; N215-V218 HydrophobicContact CB-CB 4.3Å; N215-V218 HydrophobicContact CB-CG2 4.07Å; N215-V218 PolarHBondContact O-N 3.31Å; N215-R219 PolarHBondContact O-N 2.83Å
216A80.5Confident68Low3 Ų362.3 Ų62.33%0.02531%0.31CS..Hα-helixtrans-55.5-45.9-175.700000112.2I129 A132 A214 V218 R219 A220 M314I129-A216 HydrophobicContact CD1-CB 3.64Å; A132-A216 HydrophobicContact CB-CB 4.25Å; A214-A216 PolarHBondContact O-N 3.47Å; A216-V218 VanDerWaalsContact C-N 3.33Å; A216-V218 PolarHBondContact O-N 3.02Å; A216-R219 PolarHBondContact O-N 3.18Å; A216-A220 WeakPolarHBondContact O-CB 3.5Å; A216-A220 PolarHBondContact O-N 3.41Å; A216-M314 HydrophobicContact CB-CG 3.89Å
217S83.8Confident70.7Confident0 Ų053.6 Ų53.60%028%0.275CS..Hα-helixtrans-62.2-38.6178.7-450000112.4S108 E128 N215 A221S108-S217 PolarHBondContact OG-OG 3Å; E128-S217 PolarHBondContact O-OG 3.35Å; N215-S217 VanDerWaalsContact C-N 3.31Å; N215-S217 PolarHBondContact O-N 2.81Å; S217-A221 WeakPolarHBondContact O-CB 3.4Å; S217-A221 PolarHBondContact O-N 3.01Å
218V83.4Confident73.2Confident5 Ų543.2 Ų43.23%0.0324%0.237CC..Hα-helixtrans-71.3-40.7177.1176.50000110.9A58 L62 L184 N215 A216 A221 F222A58-V218 HydrophobicContact CB-CG2 3.37Å; L62-V218 HydrophobicContact CD1-CG2 4.19Å; L184-V218 HydrophobicContact CD1-CG1 3.93Å; N215-V218 HydrophobicContact CB-CB 4.3Å; N215-V218 HydrophobicContact CB-CG2 4.07Å; N215-V218 PolarHBondContact O-N 3.31Å; A216-V218 VanDerWaalsContact C-N 3.33Å; A216-V218 PolarHBondContact O-N 3.02Å; V218-A221 PolarHBondContact O-N 3.34Å; V218-F222 VanDerWaalsContact O-CB 3.28Å; V218-F222 WeakPolarHBondContact O-CB 3.34Å; V218-F222 PolarHBondContact O-N 2.98Å
219R84.3Confident75.9Confident45 Ų4541.6 Ų41.617%0.1721%0.213CC..Hα-helixtrans-63.6-42.8177.2-170.7176.271.7164.99.5111.2A214 N215 A216 F222 V223 D273 M314A214-R219 HydrophobicContact CB-CB 4.4Å; N215-R219 PolarHBondContact O-N 2.83Å; A216-R219 PolarHBondContact O-N 3.18Å; R219-F222 PolarHBondContact O-N 3.33Å; R219-V223 WeakPolarHBondContact O-CG2 3.27Å; R219-V223 PolarHBondContact O-N 2.98Å; R219-D273 IonicContact CZ-OD2 2.94Å; R219-D273 IonicContact NH1-OD2 3.27Å; R219-D273 IonicContact NH2-OD2 2.74Å; R219-M314 VanDerWaalsContact CZ-CE 3.47Å; R219-M314 VanDerWaalsContact NH1-CE 3.3Å
220A85.5Confident78.4Confident3 Ų335.3 Ų35.33%0.02519%0.189CC..Hα-helixtrans-62.3-49.6175.100000111.1A132 A216 F222 V223 H224A132-A220 HydrophobicContact CB-CB 3.76Å; A216-A220 WeakPolarHBondContact O-CB 3.5Å; A216-A220 PolarHBondContact O-N 3.41Å; A220-F222 VanDerWaalsContact C-N 3.28Å; A220-F222 PolarHBondContact O-N 3.42Å; A220-V223 PolarHBondContact O-N 3.27Å; A220-H224 WeakPolarHBondContact O-CB 3.35Å; A220-H224 PolarHBondContact O-N 3.5Å
221A86.4Confident80.3Confident1 Ų131 Ų311%0.00818%0.175CC..Hα-helixtrans-61.1-35.2175.600000113L62 F102 L184 S217 V218 H224 V225L62-A221 HydrophobicContact CD2-CB 3.53Å; F102-A221 HydrophobicContact CD1-CB 4.07Å; F102-A221 HydrophobicContact CE1-CB 4.21Å; L184-A221 HydrophobicContact CD2-CB 3.99Å; S217-A221 WeakPolarHBondContact O-CB 3.4Å; S217-A221 PolarHBondContact O-N 3.01Å; V218-A221 PolarHBondContact O-N 3.34Å; A221-H224 WeakPolarHBondContact O-CB 3.21Å; A221-H224 PolarHBondContact O-N 2.91Å; A221-V225 WeakPolarHBondContact O-CG2 3.39Å; A221-V225 PolarHBondContact O-N 2.96Å
222F86.7Confident82.6Confident55 Ų5526.5 Ų26.524%0.24114%0.136CC..Hα-helixtrans-66.8-44.8176.9175.9-101.4000111.5L184 V218 R219 A220 H224 V225 M226L184-F222 HydrophobicContact CB-CD2 4.31Å; L184-F222 VanDerWaalsContact CD2-CA 3.44Å; L184-F222 HydrophobicContact CD2-CB 3.94Å; L184-F222 HydrophobicContact CG-CB 4.12Å; L184-F222 HydrophobicContact CG-CD2 4.25Å; V218-F222 VanDerWaalsContact O-CB 3.28Å; V218-F222 WeakPolarHBondContact O-CB 3.34Å; V218-F222 PolarHBondContact O-N 2.98Å; R219-F222 PolarHBondContact O-N 3.33Å; A220-F222 VanDerWaalsContact C-N 3.28Å; A220-F222 PolarHBondContact O-N 3.42Å; F222-H224 VanDerWaalsContact C-N 3.31Å; F222-V225 PolarHBondContact O-N 2.89Å; F222-M226 HydrophobicContact CD1-CG 4.14Å; F222-M226 HydrophobicContact CD2-CG 4.24Å; F222-M226 HydrophobicContact CE1-CG 3.73Å; F222-M226 HydrophobicContact CE1-SD 4.3Å; F222-M226 HydrophobicContact CE2-CG 3.83Å; F222-M226 HydrophobicContact CE2-SD 3.97Å; F222-M226 HydrophobicContact CG-CG 4.39Å; F222-M226 HydrophobicContact CZ-CG 3.56Å; F222-M226 HydrophobicContact CZ-SD 3.64Å; F222-M226 WeakPolarHBondContact O-CB 3.38Å; F222-M226 WeakPolarHBondContact O-CG 3.28Å; F222-M226 PolarHBondContact O-N 3.03Å
223V86.1Confident84.4Confident30 Ų3025.6 Ų25.618%0.18214%0.136CC..Hα-helixtrans-70.3-33.3178.7172.70000111.3R219 A220 M226 G227 T267 I270R219-V223 WeakPolarHBondContact O-CG2 3.27Å; R219-V223 PolarHBondContact O-N 2.98Å; A220-V223 PolarHBondContact O-N 3.27Å; V223-M226 PolarHBondContact O-N 2.82Å; V223-G227 PolarHBondContact O-N 2.86Å; V223-T267 HydrophobicContact CG1-CG2 4.26Å; V223-I270 HydrophobicContact CB-CD1 3.57Å; V223-I270 HydrophobicContact CG1-CD1 3.49Å; V223-I270 VanDerWaalsContact CG1-CD1 3.49Å; V223-I270 HydrophobicContact CG2-CD1 3.49Å; V223-I270 VanDerWaalsContact CG2-CD1 3.49Å
224H87.7Confident85.8Confident4 Ų423.4 Ų23.42%0.01913%0.128CC..Hα-helixtrans-54-61168.4-171.497.2000110.7D98 I139 A220 A221 F222 M226 G227 D228D98-H224 IonicContact OD1-CD2 3.16Å; D98-H224 IonicContact OD1-CE1 3.85Å; D98-H224 IonicContact OD1-NE2 3.49Å; D98-H224 PolarHBondContact OD1-NE2 3.35Å; I139-H224 HydrophobicContact CD1-CB 3.91Å; I139-H224 HydrophobicContact CG1-CB 4.49Å; I139-H224 WeakPolarHBondContact CG1-ND1 3.46Å; A220-H224 WeakPolarHBondContact O-CB 3.35Å; A220-H224 PolarHBondContact O-N 3.5Å; A221-H224 WeakPolarHBondContact O-CB 3.21Å; A221-H224 PolarHBondContact O-N 2.91Å; F222-H224 VanDerWaalsContact C-N 3.31Å; H224-M226 PolarHBondContact O-N 3.4Å; H224-G227 WeakPolarHBondContact O-CA 3.37Å; H224-G227 PolarHBondContact O-N 3Å; H224-D228 IonicContact CD2-OD2 3.97Å; H224-D228 PolarHBondContact CD2-OD2 2.81Å; H224-D228 IonicContact NE2-OD1 3.74Å; H224-D228 IonicContact NE2-OD2 3.63Å; H224-D228 PolarHBondContact NE2-OD2 3.22Å; H224-D228 PolarHBondContact O-N 2.9Å
225V89.6Confident86.9Confident0 Ų024.3 Ų24.30%013%0.131CC..Hα-helixtrans-57.8-36.6179.2172.80000112.5F102 M180 A181 L184 A221 F222 D228 L229F102-V225 HydrophobicContact CE1-CG2 3.59Å; F102-V225 HydrophobicContact CZ-CG2 3.39Å; M180-V225 HydrophobicContact CB-CG1 3.84Å; M180-V225 HydrophobicContact CB-CG2 4.43Å; A181-V225 HydrophobicContact CB-CG1 3.91Å; L184-V225 HydrophobicContact CD2-CG2 4.25Å; A221-V225 WeakPolarHBondContact O-CG2 3.39Å; A221-V225 PolarHBondContact O-N 2.96Å; F222-V225 PolarHBondContact O-N 2.89Å; V225-D228 PolarHBondContact O-N 3.37Å; V225-L229 WeakPolarHBondContact O-CB 3.5Å; V225-L229 PolarHBondContact O-N 3.19Å
226M88.9Confident87.5Confident51 Ų5125.1 Ų25.125%0.25114%0.136SC..Hα-helixtrans-71.7-33.8177.7-67.2-84.961.100112.9A181 F222 V223 H224 L229 L230A181-M226 HydrophobicContact CB-CE 3.58Å; A181-M226 HydrophobicContact CB-SD 4.5Å; F222-M226 HydrophobicContact CD1-CG 4.14Å; F222-M226 HydrophobicContact CD2-CG 4.24Å; F222-M226 HydrophobicContact CE1-CG 3.73Å; F222-M226 HydrophobicContact CE1-SD 4.3Å; F222-M226 HydrophobicContact CE2-CG 3.83Å; F222-M226 HydrophobicContact CE2-SD 3.97Å; F222-M226 HydrophobicContact CG-CG 4.39Å; F222-M226 HydrophobicContact CZ-CG 3.56Å; F222-M226 HydrophobicContact CZ-SD 3.64Å; F222-M226 WeakPolarHBondContact O-CB 3.38Å; F222-M226 WeakPolarHBondContact O-CG 3.28Å; F222-M226 PolarHBondContact O-N 3.03Å; V223-M226 PolarHBondContact O-N 2.82Å; H224-M226 PolarHBondContact O-N 3.4Å; M226-L229 HydrophobicContact CE-CB 3.85Å; M226-L229 HydrophobicContact CE-CD2 3.32Å; M226-L229 HydrophobicContact CE-CG 4.18Å; M226-L230 VanDerWaalsContact O-CG 3.31Å; M226-L230 WeakPolarHBondContact O-CG 3.37Å; M226-L230 PolarHBondContact O-N 3.34Å; M226-L230 VanDerWaalsContact O-N 3.15Å
227G87.8Confident88.1Confident10 Ų1028.3 Ų28.310%0.10316%0.155CC..Hα-helixtrans-55.8-59.3164.700000109.8V223 H224 L229 L230 Q231 F259V223-G227 PolarHBondContact O-N 2.86Å; H224-G227 WeakPolarHBondContact O-CA 3.37Å; H224-G227 PolarHBondContact O-N 3Å; G227-L229 VanDerWaalsContact C-N 3.26Å; G227-L229 PolarHBondContact O-N 3.39Å; G227-L230 PolarHBondContact O-N 3.34Å; G227-Q231 PolarHBondContact O-N 3.02Å; G227-F259 WeakPolarHBondContact O-CZ 3.4Å
228D88Confident88.4Confident19 Ų1928.3 Ų28.310%0.10216%0.155CC..Hα-helixtrans-60.2-35.4-175.5-52-31.5000112.8N177 H224 V225 Q231 S232N177-D228 PolarHBondContact ND2-O 3.17Å; H224-D228 IonicContact CD2-OD2 3.97Å; H224-D228 PolarHBondContact CD2-OD2 2.81Å; H224-D228 IonicContact NE2-OD1 3.74Å; H224-D228 IonicContact NE2-OD2 3.63Å; H224-D228 PolarHBondContact NE2-OD2 3.22Å; H224-D228 PolarHBondContact O-N 2.9Å; V225-D228 PolarHBondContact O-N 3.37Å; D228-Q231 WeakPolarHBondContact O-CB 3.47Å; D228-Q231 PolarHBondContact O-N 3.29Å; D228-S232 WeakPolarHBondContact O-CB 3.2Å; D228-S232 PolarHBondContact O-N 2.88Å; D228-S232 PolarHBondContact O-OG 2.89Å
229L90.6Very high88.6Confident28 Ų2828 Ų2815%0.14715%0.153CC..Hα-helixtrans-61.1-50.3173.2179.558.3000111.7V174 N177 I178 A181 V225 M226 G227 Q231 S232 V233V174-L229 HydrophobicContact CG1-CD1 4.35Å; N177-L229 HydrophobicContact CB-CB 3.95Å; N177-L229 HydrophobicContact CB-CD1 3.75Å; N177-L229 HydrophobicContact CB-CG 4.45Å; I178-L229 HydrophobicContact CG1-CD1 3.63Å; I178-L229 HydrophobicContact CG1-CD2 4.26Å; A181-L229 HydrophobicContact CB-CD2 4.48Å; V225-L229 WeakPolarHBondContact O-CB 3.5Å; V225-L229 PolarHBondContact O-N 3.19Å; M226-L229 HydrophobicContact CE-CB 3.85Å; M226-L229 HydrophobicContact CE-CD2 3.32Å; M226-L229 HydrophobicContact CE-CG 4.18Å; G227-L229 VanDerWaalsContact C-N 3.26Å; G227-L229 PolarHBondContact O-N 3.39Å; L229-Q231 PolarHBondContact O-N 3.48Å; L229-S232 WeakPolarHBondContact CA-OG 3.42Å; L229-S232 PolarHBondContact O-N 3.48Å; L229-S232 PolarHBondContact O-OG 3.38Å; L229-V233 HydrophobicContact CD1-CG2 4.21Å; L229-V233 WeakPolarHBondContact O-CB 3.46Å; L229-V233 VanDerWaalsContact O-CG2 3.27Å; L229-V233 WeakPolarHBondContact O-CG2 3.33Å; L229-V233 PolarHBondContact O-N 3.05Å
230L89.5Confident89Confident78 Ų7829.4 Ų29.441%0.40816%0.163SC..Hα-helixtrans-64.8-34.4179.2-71.8173.8000111.2M226 G227 S234 F259 L262M226-L230 VanDerWaalsContact O-CG 3.31Å; M226-L230 WeakPolarHBondContact O-CG 3.37Å; M226-L230 PolarHBondContact O-N 3.34Å; M226-L230 VanDerWaalsContact O-N 3.15Å; G227-L230 PolarHBondContact O-N 3.34Å; L230-S234 WeakPolarHBondContact O-CB 3.34Å; L230-S234 PolarHBondContact O-N 3.28Å; L230-F259 HydrophobicContact CB-CD2 3.75Å; L230-F259 HydrophobicContact CB-CE2 3.11Å; L230-F259 HydrophobicContact CB-CZ 3.89Å; L230-F259 HydrophobicContact CD1-CE2 4.16Å; L230-F259 HydrophobicContact CG-CE2 4.28Å; L230-L262 HydrophobicContact CD1-CD1 4.38Å; L230-L262 HydrophobicContact CD1-CD2 3.61Å
231Q88Confident89.3Confident30 Ų3032.4 Ų32.414%0.1418%0.178CC..Hα-helixtrans-62.5-53.4173.3-162.5174.1-5700111.5L146 G227 D228 L229 V233 S234 V235 F259L146-Q231 VanDerWaalsContact CD1-CD 3.48Å; L146-Q231 VanDerWaalsContact CD1-OE1 3.3Å; G227-Q231 PolarHBondContact O-N 3.02Å; D228-Q231 WeakPolarHBondContact O-CB 3.47Å; D228-Q231 PolarHBondContact O-N 3.29Å; L229-Q231 PolarHBondContact O-N 3.48Å; Q231-V233 VanDerWaalsContact C-N 3.27Å; Q231-V233 PolarHBondContact O-N 3Å; Q231-S234 WeakPolarHBondContact O-CA 3.49Å; Q231-S234 WeakPolarHBondContact O-CB 3.33Å; Q231-S234 PolarHBondContact O-N 2.95Å; Q231-V235 WeakPolarHBondContact O-CG2 3.37Å; Q231-V235 PolarHBondContact O-N 3.02Å; Q231-F259 HydrophobicContact CB-CD1 3.67Å; Q231-F259 HydrophobicContact CB-CE1 3.23Å; Q231-F259 HydrophobicContact CB-CG 4.45Å; Q231-F259 HydrophobicContact CB-CZ 3.75Å; Q231-F259 HydrophobicContact CG-CD1 3.63Å; Q231-F259 HydrophobicContact CG-CE1 3.59Å
232S89.9Confident89.3Confident9 Ų932.7 Ų32.76%0.06318%0.179CC..Hα-helixtrans-61.7-36.3-178.9510000111.7V174 N177 D228 L229 V235 L236V174-S232 VanDerWaalsContact CG2-C 3.4Å; V174-S232 WeakPolarHBondContact CG2-O 3.45Å; N177-S232 PolarHBondContact ND2-OG 3.02Å; D228-S232 WeakPolarHBondContact O-CB 3.2Å; D228-S232 PolarHBondContact O-N 2.88Å; D228-S232 PolarHBondContact O-OG 2.89Å; L229-S232 WeakPolarHBondContact CA-OG 3.42Å; L229-S232 PolarHBondContact O-N 3.48Å; L229-S232 PolarHBondContact O-OG 3.38Å; S232-V235 PolarHBondContact O-N 3.39Å; S232-L236 WeakPolarHBondContact O-CB 3.21Å; S232-L236 PolarHBondContact O-N 2.74Å
233V91.7Very high89.4Confident58 Ų5833.6 Ų33.635%0.35218%0.183SC..Hα-helixtrans-63.4-41.8171.1170.80000111.3V174 L229 Q231 V235 L236 V237V174-V233 HydrophobicContact CG1-CG2 4.17Å; V174-V233 HydrophobicContact CG2-CG2 3.93Å; L229-V233 HydrophobicContact CD1-CG2 4.21Å; L229-V233 WeakPolarHBondContact O-CB 3.46Å; L229-V233 VanDerWaalsContact O-CG2 3.27Å; L229-V233 WeakPolarHBondContact O-CG2 3.33Å; L229-V233 PolarHBondContact O-N 3.05Å; Q231-V233 VanDerWaalsContact C-N 3.27Å; Q231-V233 PolarHBondContact O-N 3Å; V233-V235 PolarHBondContact O-N 3.36Å; V233-L236 PolarHBondContact O-N 3.34Å; V233-V237 HydrophobicContact CG1-CG2 4.46Å; V233-V237 WeakPolarHBondContact O-CG2 3.41Å; V233-V237 PolarHBondContact O-N 3.26Å
234S89.9Confident89.6Confident21 Ų2139.4 Ų39.415%0.14721%0.206CC..Hα-helixtrans-61.1-44177.2-161.30000112.1L230 Q231 V237 S238 C255L230-S234 WeakPolarHBondContact O-CB 3.34Å; L230-S234 PolarHBondContact O-N 3.28Å; Q231-S234 WeakPolarHBondContact O-CA 3.49Å; Q231-S234 WeakPolarHBondContact O-CB 3.33Å; Q231-S234 PolarHBondContact O-N 2.95Å; S234-V237 PolarHBondContact O-N 3.02Å; S234-S238 PolarHBondContact O-N 2.91Å; S234-S238 PolarHBondContact O-OG 2.96Å; S234-C255 WeakPolarHBondContact OG-CB 3.32Å; S234-C255 PolarHBondContact OG-O 3.33Å; S234-C255 VanDerWaalsContact OG-O 3.07Å
235V88.5Confident89.7Confident38 Ų3845.1 Ų45.123%0.2323%0.231CC..Hα-helixtrans-65.4-40.8175.5179.10000110.8M166 Q231 S232 V233 S238 A239M166-V235 HydrophobicContact CE-CG1 3.63Å; Q231-V235 WeakPolarHBondContact O-CG2 3.37Å; Q231-V235 PolarHBondContact O-N 3.02Å; S232-V235 PolarHBondContact O-N 3.39Å; V233-V235 PolarHBondContact O-N 3.36Å; V235-S238 WeakPolarHBondContact O-CB 3.27Å; V235-S238 PolarHBondContact O-N 3.02Å; V235-A239 WeakPolarHBondContact O-CB 3.26Å; V235-A239 PolarHBondContact O-N 2.85Å
236L91.8Very high89.5Confident40 Ų4049.6 Ų49.621%0.20926%0.26CS..Hα-helixtrans-62.7-43.1176.3177.962.5000112.3L167 S170 V174 S232 V233 S238 A239 I240L167-L236 HydrophobicContact CD1-CD1 3.96Å; S170-L236 WeakPolarHBondContact OG-CA 3.14Å; S170-L236 WeakPolarHBondContact OG-CD1 3.48Å; V174-L236 HydrophobicContact CB-CD2 4.43Å; V174-L236 HydrophobicContact CG2-CB 4.15Å; V174-L236 HydrophobicContact CG2-CD2 3.93Å; S232-L236 WeakPolarHBondContact O-CB 3.21Å; S232-L236 PolarHBondContact O-N 2.74Å; V233-L236 PolarHBondContact O-N 3.34Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.31Å; L236-A239 PolarHBondContact O-N 2.69Å; L236-I240 HydrophobicContact CD1-CD1 4.35Å; L236-I240 HydrophobicContact CG-CD1 4.2Å; L236-I240 WeakPolarHBondContact O-CG1 2.91Å; L236-I240 PolarHBondContact O-N 3.35Å
237V91.9Very high89.3Confident69 Ų6955.4 Ų55.442%0.41829%0.287SS..Hα-helixtrans-61-43.5174.8170.20000110.5V233 S234 I240 I241V233-V237 HydrophobicContact CG1-CG2 4.46Å; V233-V237 WeakPolarHBondContact O-CG2 3.41Å; V233-V237 PolarHBondContact O-N 3.26Å; S234-V237 PolarHBondContact O-N 3.02Å; V237-I240 PolarHBondContact O-N 3.07Å; V237-I241 HydrophobicContact CG1-CD1 4.11Å; V237-I241 WeakPolarHBondContact O-CG1 3.41Å; V237-I241 PolarHBondContact O-N 3.32Å; V237-I241 VanDerWaalsContact O-N 3.11Å
238S89.4Confident89.3Confident0 Ų061.4 Ų61.40%031%0.307CS..Hα-helixtrans-61.9-44.1175.8-560000111.7S234 V235 L236 I240 I241 I242 C255S234-S238 PolarHBondContact O-N 2.91Å; S234-S238 PolarHBondContact O-OG 2.96Å; V235-S238 WeakPolarHBondContact O-CB 3.27Å; V235-S238 PolarHBondContact O-N 3.02Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.31Å; S238-I240 PolarHBondContact O-N 3.24Å; S238-I241 PolarHBondContact O-N 2.77Å; S238-I242 WeakPolarHBondContact O-CD1 3.5Å; S238-I242 VanDerWaalsContact O-CG1 3.27Å; S238-I242 WeakPolarHBondContact O-CG1 3.42Å; S238-I242 PolarHBondContact O-N 3.02Å; S238-C255 WeakPolarHBondContact OG-CB 3.33Å; S238-C255 PolarHBondContact OG-SG 3.34Å
239A89.1Confident89.1Confident0 Ų063.2 Ų63.20%031%0.314CS..Hα-helixtrans-60.8-42.2177.800000111.9M166 L167 V235 L236 I242 F243M166-A239 HydrophobicContact CB-CB 4.34Å; M166-A239 HydrophobicContact CE-CB 4.23Å; M166-A239 HydrophobicContact CG-CB 3.83Å; M166-A239 HydrophobicContact SD-CB 3.97Å; L167-A239 HydrophobicContact CB-CB 4.43Å; L167-A239 HydrophobicContact CD1-CB 4.26Å; V235-A239 WeakPolarHBondContact O-CB 3.26Å; V235-A239 PolarHBondContact O-N 2.85Å; L236-A239 PolarHBondContact O-N 2.69Å; A239-I242 PolarHBondContact O-N 2.87Å; A239-F243 WeakPolarHBondContact O-CB 3.49Å; A239-F243 PolarHBondContact O-N 3.48Å
240I91.9Very high88.9Confident73 Ų7365.5 Ų65.537%0.37433%0.326SS..Hα-helixtrans-62.1-44.1175.4-69.5162.6000111.1L167 L236 V237 S238 F243 F244L167-I240 HydrophobicContact CD1-CG1 3.62Å; L236-I240 HydrophobicContact CD1-CD1 4.35Å; L236-I240 HydrophobicContact CG-CD1 4.2Å; L236-I240 WeakPolarHBondContact O-CG1 2.91Å; L236-I240 PolarHBondContact O-N 3.35Å; V237-I240 PolarHBondContact O-N 3.07Å; S238-I240 PolarHBondContact O-N 3.24Å; I240-F243 PolarHBondContact O-N 2.84Å; I240-F244 HydrophobicContact CG2-CD2 4.01Å; I240-F244 HydrophobicContact CG2-CE2 4.06Å; I240-F244 VanDerWaalsContact O-CD2 3.32Å; I240-F244 WeakPolarHBondContact O-CD2 3.44Å; I240-F244 PolarHBondContact O-N 2.61Å
241I90.9Very high88.9Confident67 Ų6762.4 Ų62.434%0.34431%0.311SS..Hα-helixtrans-62-48.9178.5-67.8166.9000110.4V237 S238 F243 F244 K245 A251V237-I241 HydrophobicContact CG1-CD1 4.11Å; V237-I241 WeakPolarHBondContact O-CG1 3.41Å; V237-I241 PolarHBondContact O-N 3.32Å; V237-I241 VanDerWaalsContact O-N 3.11Å; S238-I241 PolarHBondContact O-N 2.77Å; I241-F243 VanDerWaalsContact C-N 3.31Å; I241-F243 PolarHBondContact O-N 2.87Å; I241-F244 PolarHBondContact O-N 2.95Å; I241-K245 PolarHBondContact O-N 3.43Å; I241-A251 HydrophobicContact CB-CB 4.44Å; I241-A251 HydrophobicContact CD1-CB 4.28Å; I241-A251 HydrophobicContact CG2-CB 4.04Å
242I87.8Confident88.8Confident7 Ų761.1 Ų61.14%0.03631%0.306CS..Hα-helixtrans-64-37.8-179.6-66.6164.1000110.9I161 M166 S238 A239 K245 P246 D252I161-I242 HydrophobicContact CB-CG2 4.49Å; I161-I242 HydrophobicContact CD1-CD1 3.9Å; I161-I242 HydrophobicContact CG2-CG2 4.41Å; M166-I242 HydrophobicContact CE-CD1 4.46Å; M166-I242 HydrophobicContact SD-CD1 4.19Å; S238-I242 WeakPolarHBondContact O-CD1 3.5Å; S238-I242 VanDerWaalsContact O-CG1 3.27Å; S238-I242 WeakPolarHBondContact O-CG1 3.42Å; S238-I242 PolarHBondContact O-N 3.02Å; A239-I242 PolarHBondContact O-N 2.87Å; I242-K245 CarbonylContact O-C 3.32Å; I242-K245 VanDerWaalsContact O-C 3.32Å; I242-K245 PolarHBondContact O-N 3.37Å; I242-P246 VanDerWaalsContact O-CA 3.3Å; I242-P246 WeakPolarHBondContact O-CA 3.39Å; I242-P246 WeakPolarHBondContact O-CD 3.4Å; I242-P246 WeakPolarHBondContact O-CG 3.29Å; I242-P246 VanDerWaalsContact O-N 3.09Å; I242-D252 HydrophobicContact CD1-CB 4.14Å
243F88.7Confident88.8Confident74 Ų7460.7 Ų60.733%0.32530%0.303SS..Hα-helixtrans-61-45.9178.3-177.2-94.2000112.7H164 L167 A239 I240 I241H164-F243 AromaticContact CE1-CE2 3.4Å; H164-F243 VanDerWaalsContact CE1-CE2 3.4Å; H164-F243 WeakPolarHBondContact CE1-CE2 3.43Å; H164-F243 AromaticContact CE1-CZ 3.92Å; H164-F243 AromaticContact ND1-CE2 3.56Å; H164-F243 AromaticContact NE2-CE2 3.74Å; L167-F243 HydrophobicContact CD2-CD2 4.24Å; L167-F243 HydrophobicContact CD2-CG 4.39Å; A239-F243 WeakPolarHBondContact O-CB 3.49Å; A239-F243 PolarHBondContact O-N 3.48Å; I240-F243 PolarHBondContact O-N 2.84Å; I241-F243 VanDerWaalsContact C-N 3.31Å; I241-F243 PolarHBondContact O-N 2.87Å
244F90.2Very high88.8Confident151 Ų15162 Ų6266%0.66231%0.306SS*.Hα-helixtrans-82.4-28.4178.9-74.3-69.5000113.3I240 I241I240-F244 HydrophobicContact CG2-CD2 4.01Å; I240-F244 HydrophobicContact CG2-CE2 4.06Å; I240-F244 VanDerWaalsContact O-CD2 3.32Å; I240-F244 WeakPolarHBondContact O-CD2 3.44Å; I240-F244 PolarHBondContact O-N 2.61Å; I241-F244 PolarHBondContact O-N 2.95Å
245K90.2Very high88.8Confident124 Ų12462 Ų6254%0.53931%0.306SS..  trans-141.983.7-177-63.2-70.8-174.8174.80110.8I241 I242 E247 Y248I241-K245 PolarHBondContact O-N 3.43Å; I242-K245 CarbonylContact O-C 3.32Å; I242-K245 VanDerWaalsContact O-C 3.32Å; I242-K245 PolarHBondContact O-N 3.37Å; K245-E247 PolarHBondContact O-N 2.93Å; K245-Y248 HydrophobicContact CB-CD2 3.55Å; K245-Y248 HydrophobicContact CB-CE2 4.05Å; K245-Y248 HydrophobicContact CG-CD2 4.3Å; K245-Y248 HydrophobicContact CG-CE2 4.35Å; K245-Y248 PolarHBondContact O-N 3.46Å
246P84.8Confident88.9Confident94 Ų9461 Ų6161%0.6130%0.301SS*.G310 helixtrans-57.1-24.4-178.4-27.235.3000114.5I242 Y248 K249I242-P246 VanDerWaalsContact O-CA 3.3Å; I242-P246 WeakPolarHBondContact O-CA 3.39Å; I242-P246 WeakPolarHBondContact O-CD 3.4Å; I242-P246 WeakPolarHBondContact O-CG 3.29Å; I242-P246 VanDerWaalsContact O-N 3.09Å; P246-Y248 PolarHBondContact O-N 3.34Å; P246-K249 PolarHBondContact O-N 2.9Å
247E85.4Confident88.9Confident174 Ų17462.3 Ų62.381%0.81331%0.305SS*.G310 helixtrans-61.3-23.5176.2-62.7173.5-169.100113.4K245 K249K245-E247 PolarHBondContact O-N 2.93Å; E247-K249 VanDerWaalsContact C-N 3.31Å; E247-K249 PolarHBondContact O-N 3.48Å
248Y87.5Confident88.9Confident135 Ų13564.5 Ų64.553%0.52931%0.314SS..G310 helixtrans-93.339.5179.5-65.5-91.7000112.8K245 P246 I250 A251K245-Y248 HydrophobicContact CB-CD2 3.55Å; K245-Y248 HydrophobicContact CB-CE2 4.05Å; K245-Y248 HydrophobicContact CG-CD2 4.3Å; K245-Y248 HydrophobicContact CG-CE2 4.35Å; K245-Y248 PolarHBondContact O-N 3.46Å; P246-Y248 PolarHBondContact O-N 3.34Å; Y248-I250 PolarHBondContact O-N 2.84Å; Y248-A251 VanDerWaalsContact O-CB 3.27Å; Y248-A251 WeakPolarHBondContact O-CB 3.33Å; Y248-A251 PolarHBondContact O-N 3.32Å
249K83.9Confident88.8Confident58 Ų5865.2 Ų65.225%0.25232%0.317SS..THydrogen-bonded Turntrans-56-22.7176.263.7176.7176.2170.30114.2D157 Y159 P246 E247 A251D157-K249 PolarHBondContact O-NZ 3.18Å; D157-K249 WeakPolarHBondContact OD1-CE 3.47Å; D157-K249 IonicContact OD1-NZ 3.2Å; D157-K249 PolarHBondContact OD1-NZ 3.14Å; D157-K249 IonicContact OD2-NZ 3.16Å; D157-K249 PolarHBondContact OD2-NZ 3.05Å; Y159-K249 HydrophobicContact CE1-CD 4.28Å; Y159-K249 HydrophobicContact CE2-CB 4.1Å; Y159-K249 HydrophobicContact CE2-CD 4.4Å; Y159-K249 PolarHBondContact OH-O 3.32Å; P246-K249 PolarHBondContact O-N 2.9Å; E247-K249 VanDerWaalsContact C-N 3.31Å; E247-K249 PolarHBondContact O-N 3.48Å; K249-A251 PolarHBondContact O-N 3.45Å
250I86.9Confident88.9Confident75 Ų7565.5 Ų65.539%0.38532%0.318SS..THydrogen-bonded Turntrans-66.6-15.6175.7-161.963000113.8I154 Y248 D252 P253 I254I154-I250 HydrophobicContact CD1-CD1 4.07Å; I154-I250 HydrophobicContact CG1-CD1 3.7Å; Y248-I250 PolarHBondContact O-N 2.84Å; I250-D252 VanDerWaalsContact C-N 3.27Å; I250-D252 PolarHBondContact O-N 3.25Å; I250-P253 WeakPolarHBondContact O-CD 3.36Å; I250-I254 HydrophobicContact CG1-CD1 4.07Å; I250-I254 HydrophobicContact CG1-CG1 4.41Å; I250-I254 HydrophobicContact CG2-CD1 4.25Å; I250-I254 WeakPolarHBondContact O-CG1 3.37Å; I250-I254 PolarHBondContact O-N 3.39Å
251A87.6Confident88.9Confident13 Ų1367 Ų6711%0.10733%0.326CS..Hα-helixtrans-58.6-39.7178.600000112.1I241 Y248 K249 I254 C255I241-A251 HydrophobicContact CB-CB 4.44Å; I241-A251 HydrophobicContact CD1-CB 4.28Å; I241-A251 HydrophobicContact CG2-CB 4.04Å; Y248-A251 VanDerWaalsContact O-CB 3.27Å; Y248-A251 WeakPolarHBondContact O-CB 3.33Å; Y248-A251 PolarHBondContact O-N 3.32Å; K249-A251 PolarHBondContact O-N 3.45Å; A251-I254 PolarHBondContact O-N 3.13Å; A251-C255 VanDerWaalsContact O-CB 3.26Å; A251-C255 WeakPolarHBondContact O-CB 3.47Å; A251-C255 PolarHBondContact O-N 3.21Å
252D87.7Confident88.9Confident4 Ų467.3 Ų67.32%0.02133%0.328CS..Hα-helixtrans-63.7-50.3-177.7171.577.4000113.3R153 M166 I242 I250 I254 C255 T256R153-D252 IonicContact CZ-OD2 2.97Å; R153-D252 IonicContact NH1-OD1 2.68Å; R153-D252 IonicContact NH1-OD2 2.76Å; R153-D252 PolarHBondContact NH1-OD2 3.3Å; M166-D252 HydrophobicContact CE-CB 4.4Å; M166-D252 WeakPolarHBondContact CE-OD1 3.41Å; I242-D252 HydrophobicContact CD1-CB 4.14Å; I250-D252 VanDerWaalsContact C-N 3.27Å; I250-D252 PolarHBondContact O-N 3.25Å; D252-I254 PolarHBondContact O-N 3.48Å; D252-C255 PolarHBondContact O-N 3.4Å; D252-T256 PolarHBondContact O-N 2.91Å; D252-T256 PolarHBondContact O-OG1 2.95Å
253P89.4Confident89Confident0 Ų067.2 Ų67.20%033%0.328CS..Hα-helixtrans-57.9-43.5171.1-29.234.8000114.1A150 R153 I154 I250 C255 T256 F257A150-P253 HydrophobicContact CB-CB 4.29Å; R153-P253 HydrophobicContact CB-CG 4.18Å; I154-P253 HydrophobicContact CD1-CB 3.71Å; I154-P253 HydrophobicContact CD1-CG 4.5Å; I154-P253 HydrophobicContact CG1-CB 3.7Å; I154-P253 HydrophobicContact CG1-CG 3.96Å; I250-P253 WeakPolarHBondContact O-CD 3.36Å; P253-C255 PolarHBondContact O-N 2.85Å; P253-T256 WeakPolarHBondContact O-CB 3.42Å; P253-T256 PolarHBondContact O-N 2.94Å; P253-T256 VanDerWaalsContact O-N 3.17Å; P253-F257 HydrophobicContact CB-CE2 4.39Å; P253-F257 WeakPolarHBondContact O-CD2 3.46Å; P253-F257 PolarHBondContact O-N 2.94Å
254I91.4Very high89.1Confident84 Ų8467.2 Ų67.243%0.43133%0.331SS..Hα-helixtrans-60.9-47.2179.6-67168.6000110.6I250 A251 D252 T256 F257 L258I250-I254 HydrophobicContact CG1-CD1 4.07Å; I250-I254 HydrophobicContact CG1-CG1 4.41Å; I250-I254 HydrophobicContact CG2-CD1 4.25Å; I250-I254 WeakPolarHBondContact O-CG1 3.37Å; I250-I254 PolarHBondContact O-N 3.39Å; A251-I254 PolarHBondContact O-N 3.13Å; D252-I254 PolarHBondContact O-N 3.48Å; I254-T256 VanDerWaalsContact C-N 3.28Å; I254-T256 PolarHBondContact O-N 3.24Å; I254-F257 PolarHBondContact O-N 2.97Å; I254-L258 HydrophobicContact CG2-CD1 4.08Å; I254-L258 WeakPolarHBondContact O-CG 3.41Å; I254-L258 PolarHBondContact O-N 3.09Å
255C89.9Confident89.1Confident22 Ų2263.8 Ų63.815%0.14933%0.325CS..Hα-helixtrans-59.4-38.2175.6-87.40000112.3S234 S238 A251 D252 P253 F259S234-C255 WeakPolarHBondContact OG-CB 3.32Å; S234-C255 PolarHBondContact OG-O 3.33Å; S234-C255 VanDerWaalsContact OG-O 3.07Å; S238-C255 WeakPolarHBondContact OG-CB 3.33Å; S238-C255 PolarHBondContact OG-SG 3.34Å; A251-C255 VanDerWaalsContact O-CB 3.26Å; A251-C255 WeakPolarHBondContact O-CB 3.47Å; A251-C255 PolarHBondContact O-N 3.21Å; D252-C255 PolarHBondContact O-N 3.4Å; P253-C255 PolarHBondContact O-N 2.85Å; C255-F259 VanDerWaalsContact O-CB 3.28Å; C255-F259 WeakPolarHBondContact O-CB 3.36Å; C255-F259 PolarHBondContact O-N 3.32Å; C255-F259 VanDerWaalsContact O-N 3.15Å
256T89.9Confident89Confident18 Ų1860.6 Ų60.611%0.1132%0.316CS..Hα-helixtrans-65.7-44.8175.8-57.10000112L146 A150 D252 P253 I254 F259 S260L146-T256 HydrophobicContact CB-CG2 4.2Å; A150-T256 HydrophobicContact CB-CG2 3.96Å; D252-T256 PolarHBondContact O-N 2.91Å; D252-T256 PolarHBondContact O-OG1 2.95Å; P253-T256 WeakPolarHBondContact O-CB 3.42Å; P253-T256 PolarHBondContact O-N 2.94Å; P253-T256 VanDerWaalsContact O-N 3.17Å; I254-T256 VanDerWaalsContact C-N 3.28Å; I254-T256 PolarHBondContact O-N 3.24Å; T256-F259 PolarHBondContact O-N 3.01Å; T256-S260 WeakPolarHBondContact O-CB 3.26Å; T256-S260 PolarHBondContact O-N 2.9Å; T256-S260 PolarHBondContact O-OG 3.19Å
257F92.8Very high89.2Confident67 Ų6756.2 Ų56.229%0.29429%0.287SS..Hα-helixtrans-64.2-48.9177.6-73.3-67.8000112.9V147 A150 V151 I154 P253 I254 F259 S260 I261V147-F257 HydrophobicContact CG1-CD1 4.21Å; V147-F257 HydrophobicContact CG1-CE1 3.79Å; A150-F257 HydrophobicContact CB-CE2 4.22Å; A150-F257 HydrophobicContact CB-CZ 4.22Å; V151-F257 HydrophobicContact CG2-CE1 3.95Å; V151-F257 HydrophobicContact CG2-CZ 3.6Å; I154-F257 HydrophobicContact CD1-CE2 3.74Å; I154-F257 HydrophobicContact CD1-CZ 4.47Å; P253-F257 HydrophobicContact CB-CE2 4.39Å; P253-F257 WeakPolarHBondContact O-CD2 3.46Å; P253-F257 PolarHBondContact O-N 2.94Å; I254-F257 PolarHBondContact O-N 2.97Å; F257-F259 PolarHBondContact O-N 2.93Å; F257-S260 PolarHBondContact O-N 3.04Å; F257-I261 WeakPolarHBondContact O-CG1 3.32Å; F257-I261 PolarHBondContact O-N 2.89Å; F257-I261 VanDerWaalsContact O-N 3.09Å
258L91.8Very high89.4Confident115 Ų11554 Ų5460%0.60228%0.275SS*.Hα-helixtrans-56.5-44.1179.4-73.9174.4000110.9I254 L262I254-L258 HydrophobicContact CG2-CD1 4.08Å; I254-L258 WeakPolarHBondContact O-CG 3.41Å; I254-L258 PolarHBondContact O-N 3.09Å; L258-L262 PolarHBondContact O-N 3.02Å
259F87.4Confident89.4Confident15 Ų1551.1 Ų51.17%0.06627%0.271CS..Hα-helixtrans-71.4-40.4-179.8178.1-103000113G227 L230 Q231 C255 T256 F257 I261 L262 V263G227-F259 WeakPolarHBondContact O-CZ 3.4Å; L230-F259 HydrophobicContact CB-CD2 3.75Å; L230-F259 HydrophobicContact CB-CE2 3.11Å; L230-F259 HydrophobicContact CB-CZ 3.89Å; L230-F259 HydrophobicContact CD1-CE2 4.16Å; L230-F259 HydrophobicContact CG-CE2 4.28Å; Q231-F259 HydrophobicContact CB-CD1 3.67Å; Q231-F259 HydrophobicContact CB-CE1 3.23Å; Q231-F259 HydrophobicContact CB-CG 4.45Å; Q231-F259 HydrophobicContact CB-CZ 3.75Å; Q231-F259 HydrophobicContact CG-CD1 3.63Å; Q231-F259 HydrophobicContact CG-CE1 3.59Å; C255-F259 VanDerWaalsContact O-CB 3.28Å; C255-F259 WeakPolarHBondContact O-CB 3.36Å; C255-F259 PolarHBondContact O-N 3.32Å; C255-F259 VanDerWaalsContact O-N 3.15Å; T256-F259 PolarHBondContact O-N 3.01Å; F257-F259 PolarHBondContact O-N 2.93Å; F259-I261 PolarHBondContact O-N 3.4Å; F259-L262 HydrophobicContact CE2-CD2 4.33Å; F259-L262 WeakPolarHBondContact O-CA 3.34Å; F259-L262 WeakPolarHBondContact O-CB 3.23Å; F259-L262 PolarHBondContact O-N 3.45Å; F259-V263 HydrophobicContact CD1-CG2 3.99Å; F259-V263 HydrophobicContact CD2-CG2 4.39Å; F259-V263 HydrophobicContact CE1-CG2 3.17Å; F259-V263 HydrophobicContact CE2-CG2 3.58Å; F259-V263 HydrophobicContact CZ-CB 4.42Å; F259-V263 HydrophobicContact CZ-CG2 2.93Å; F259-V263 PolarHBondContact O-N 2.84Å
260S90.9Very high89.5Confident5 Ų549 Ų494%0.03526%0.263CS..Hα-helixtrans-57.2-40175.9-61.80000111.8V147 T256 F257 V263 L264V147-S260 VanDerWaalsContact CG2-OG 3.24Å; V147-S260 WeakPolarHBondContact CG2-OG 3.42Å; T256-S260 WeakPolarHBondContact O-CB 3.26Å; T256-S260 PolarHBondContact O-N 2.9Å; T256-S260 PolarHBondContact O-OG 3.19Å; F257-S260 PolarHBondContact O-N 3.04Å; S260-V263 PolarHBondContact O-N 3.44Å; S260-L264 WeakPolarHBondContact O-CB 3.48Å; S260-L264 VanDerWaalsContact O-CG 3.26Å; S260-L264 WeakPolarHBondContact O-CG 3.41Å; S260-L264 PolarHBondContact O-N 3.03Å
261I92.4Very high89.7Confident105 Ų10545.9 Ų45.954%0.53825%0.247SC..Hα-helixtrans-61.7-45.6173.9-67.2167.2000110.8F257 F259 V263 L264 C265F257-I261 WeakPolarHBondContact O-CG1 3.32Å; F257-I261 PolarHBondContact O-N 2.89Å; F257-I261 VanDerWaalsContact O-N 3.09Å; F259-I261 PolarHBondContact O-N 3.4Å; I261-V263 PolarHBondContact O-N 2.75Å; I261-L264 PolarHBondContact O-N 3.29Å; I261-C265 WeakPolarHBondContact O-CB 3.44Å; I261-C265 PolarHBondContact O-N 3.47Å; I261-C265 PolarHBondContact O-SG 3.48Å
262L90.4Very high89.9Confident74 Ų7452.4 Ų52.439%0.38727%0.269SS..Hα-helixtrans-60.1-45.2178.5-170.6161000111.7L230 L258 F259 C265 T266L230-L262 HydrophobicContact CD1-CD1 4.38Å; L230-L262 HydrophobicContact CD1-CD2 3.61Å; L258-L262 PolarHBondContact O-N 3.02Å; F259-L262 HydrophobicContact CE2-CD2 4.33Å; F259-L262 WeakPolarHBondContact O-CA 3.34Å; F259-L262 WeakPolarHBondContact O-CB 3.23Å; F259-L262 PolarHBondContact O-N 3.45Å; L262-C265 PolarHBondContact O-N 2.95Å; L262-T266 HydrophobicContact CD2-CG2 3.99Å; L262-T266 WeakPolarHBondContact O-CG2 3.48Å; L262-T266 PolarHBondContact O-N 3.34Å; L262-T266 PolarHBondContact O-OG1 3.44Å; L262-T266 VanDerWaalsContact O-OG1 3.1Å
263V89.1Confident89.8Confident4 Ų453.9 Ų53.92%0.02428%0.276CS..Hα-helixtrans-60.6-47.7176.4174.30000111.3I139 F259 S260 I261 C265 T266 T267I139-V263 HydrophobicContact CG2-CG1 3.36Å; F259-V263 HydrophobicContact CD1-CG2 3.99Å; F259-V263 HydrophobicContact CD2-CG2 4.39Å; F259-V263 HydrophobicContact CE1-CG2 3.17Å; F259-V263 HydrophobicContact CE2-CG2 3.58Å; F259-V263 HydrophobicContact CZ-CB 4.42Å; F259-V263 HydrophobicContact CZ-CG2 2.93Å; F259-V263 PolarHBondContact O-N 2.84Å; S260-V263 PolarHBondContact O-N 3.44Å; I261-V263 PolarHBondContact O-N 2.75Å; V263-C265 VanDerWaalsContact C-N 3.33Å; V263-C265 PolarHBondContact O-N 2.86Å; V263-T266 PolarHBondContact O-N 3.4Å; V263-T266 PolarHBondContact O-OG1 2.93Å; V263-T267 HydrophobicContact CG1-CG2 4.08Å; V263-T267 WeakPolarHBondContact O-CB 3.48Å; V263-T267 WeakPolarHBondContact O-CG2 3.27Å; V263-T267 PolarHBondContact O-N 3.44Å; V263-T267 PolarHBondContact O-OG1 3.24Å
264L91.3Very high89.9Confident74 Ų7454 Ų5439%0.38728%0.277SS..Hα-helixtrans-61.5-43179.4-70173.2000111W140 T143 S260 I261 T267 F268W140-L264 HydrophobicContact CD2-CD2 4.47Å; W140-L264 HydrophobicContact CG-CD2 4.18Å; T143-L264 HydrophobicContact CG2-CG 4.44Å; S260-L264 WeakPolarHBondContact O-CB 3.48Å; S260-L264 VanDerWaalsContact O-CG 3.26Å; S260-L264 WeakPolarHBondContact O-CG 3.41Å; S260-L264 PolarHBondContact O-N 3.03Å; I261-L264 PolarHBondContact O-N 3.29Å; L264-T267 PolarHBondContact O-OG1 3.11Å; L264-F268 WeakPolarHBondContact O-CB 3.39Å; L264-F268 PolarHBondContact O-N 3.4Å
265C91.1Very high89.9Confident79 Ų7953.4 Ų53.453%0.53427%0.274SS..Hα-helixtrans-61.3-47.2176.2-720000112.6I261 L262 V263I261-C265 WeakPolarHBondContact O-CB 3.44Å; I261-C265 PolarHBondContact O-N 3.47Å; I261-C265 PolarHBondContact O-SG 3.48Å; L262-C265 PolarHBondContact O-N 2.95Å; V263-C265 VanDerWaalsContact C-N 3.33Å; V263-C265 PolarHBondContact O-N 2.86Å
266T86.9Confident90Very high58 Ų5855.5 Ų55.536%0.35628%0.284SS..Hα-helixtrans-68.3-45.2-178.453.90000111.6L262 V263 F268 T269L262-T266 HydrophobicContact CD2-CG2 3.99Å; L262-T266 WeakPolarHBondContact O-CG2 3.48Å; L262-T266 PolarHBondContact O-N 3.34Å; L262-T266 PolarHBondContact O-OG1 3.44Å; L262-T266 VanDerWaalsContact O-OG1 3.1Å; V263-T266 PolarHBondContact O-N 3.4Å; V263-T266 PolarHBondContact O-OG1 2.93Å; T266-F268 PolarHBondContact O-N 3.43Å; T266-T269 PolarHBondContact O-N 3.22Å; T266-T269 PolarHBondContact O-OG1 2.96Å
267T88.9Confident90Very high1 Ų154.9 Ų54.91%0.00628%0.28CS..Hα-helixtrans-70.1-30179.756.20000113.4I139 W140 V223 V263 L264 T269 I270 M271I139-T267 HydrophobicContact CD1-CG2 4.06Å; I139-T267 HydrophobicContact CG2-CG2 4.1Å; W140-T267 PolarHBondContact NE1-OG1 3.2Å; V223-T267 HydrophobicContact CG1-CG2 4.26Å; V263-T267 HydrophobicContact CG1-CG2 4.08Å; V263-T267 WeakPolarHBondContact O-CB 3.48Å; V263-T267 WeakPolarHBondContact O-CG2 3.27Å; V263-T267 PolarHBondContact O-N 3.44Å; V263-T267 PolarHBondContact O-OG1 3.24Å; L264-T267 PolarHBondContact O-OG1 3.11Å; T267-T269 VanDerWaalsContact C-N 3.28Å; T267-T269 PolarHBondContact O-N 3.44Å; T267-I270 PolarHBondContact O-N 3.29Å; T267-I270 VanDerWaalsContact O-N 3.13Å; T267-M271 WeakPolarHBondContact O-CB 3.39Å; T267-M271 PolarHBondContact O-N 2.91Å
268F90.8Very high90Very high129 Ų12954.1 Ų54.157%0.56628%0.279SS*.Hα-helixtrans-58.8-39.3175.1-178.7-99.9000112.4L264 T266 I270 M271 R272L264-F268 WeakPolarHBondContact O-CB 3.39Å; L264-F268 PolarHBondContact O-N 3.4Å; T266-F268 PolarHBondContact O-N 3.43Å; F268-I270 VanDerWaalsContact C-N 3.29Å; F268-I270 PolarHBondContact O-N 2.81Å; F268-M271 PolarHBondContact O-N 3.42Å; F268-R272 PolarHBondContact O-N 3.03Å
269T86.8Confident90.2Very high73 Ų7355.5 Ų55.545%0.44828%0.284SS..Hα-helixtrans-61.9-38.317767.40000112.3T266 T267 D273T266-T269 PolarHBondContact O-N 3.22Å; T266-T269 PolarHBondContact O-OG1 2.96Å; T267-T269 VanDerWaalsContact C-N 3.28Å; T267-T269 PolarHBondContact O-N 3.44Å; T269-D273 PolarHBondContact O-N 3.37Å
270I86.7Confident90.5Very high13 Ų1359.9 Ų59.97%0.06730%0.304CS..Hα-helixtrans-73.9-43179.6-60.7167.3000110.5V136 V223 T267 F268 R272 D273 I274V136-I270 HydrophobicContact CG2-CG2 4.27Å; V223-I270 HydrophobicContact CB-CD1 3.57Å; V223-I270 HydrophobicContact CG1-CD1 3.49Å; V223-I270 VanDerWaalsContact CG1-CD1 3.49Å; V223-I270 HydrophobicContact CG2-CD1 3.49Å; V223-I270 VanDerWaalsContact CG2-CD1 3.49Å; T267-I270 PolarHBondContact O-N 3.29Å; T267-I270 VanDerWaalsContact O-N 3.13Å; F268-I270 VanDerWaalsContact C-N 3.29Å; F268-I270 PolarHBondContact O-N 2.81Å; I270-R272 VanDerWaalsContact C-N 3.28Å; I270-R272 PolarHBondContact O-N 3.48Å; I270-D273 PolarHBondContact O-N 3.46Å; I270-I274 HydrophobicContact CG2-CD1 3.75Å; I270-I274 HydrophobicContact CG2-CG1 4.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.49Å; I270-I274 PolarHBondContact O-N 3.24Å
271M90.9Very high90.4Very high10 Ų1060.7 Ų60.75%0.04931%0.313CS..Hα-helixtrans-54.2-48.5174.8-179.763.984.100110.2L133 V136 F137 W140 T267 F268 D273 I274 L275L133-M271 HydrophobicContact CD1-CE 3.84Å; L133-M271 HydrophobicContact CD1-SD 3.26Å; L133-M271 WeakPolarHBondContact CD1-SD 3.38Å; V136-M271 HydrophobicContact CB-CE 4.28Å; V136-M271 HydrophobicContact CG1-CB 4.5Å; V136-M271 HydrophobicContact CG1-CE 3.66Å; F137-M271 HydrophobicContact CD1-CE 3.98Å; F137-M271 HydrophobicContact CE1-CE 3.6Å; F137-M271 HydrophobicContact CE2-CE 4.33Å; F137-M271 HydrophobicContact CG-CE 4.47Å; F137-M271 HydrophobicContact CZ-CE 3.8Å; W140-M271 HydrophobicContact CH2-CE 3.98Å; W140-M271 HydrophobicContact CH2-CG 4.24Å; W140-M271 HydrophobicContact CZ2-CB 4.41Å; W140-M271 HydrophobicContact CZ2-CE 4.14Å; W140-M271 HydrophobicContact CZ2-CG 4.43Å; W140-M271 HydrophobicContact CZ3-CE 4.19Å; T267-M271 WeakPolarHBondContact O-CB 3.39Å; T267-M271 PolarHBondContact O-N 2.91Å; F268-M271 PolarHBondContact O-N 3.42Å; M271-D273 PolarHBondContact O-N 2.98Å; M271-I274 PolarHBondContact O-N 3.32Å; M271-L275 HydrophobicContact CG-CD1 3.95Å; M271-L275 HydrophobicContact CG-CG 4.37Å; M271-L275 WeakPolarHBondContact O-CB 3.36Å; M271-L275 VanDerWaalsContact O-CG 3.28Å; M271-L275 WeakPolarHBondContact O-CG 3.43Å; M271-L275 PolarHBondContact O-N 2.86Å; M271-L275 HydrophobicContact SD-CD1 4.21Å; M271-L275 HydrophobicContact SD-CG 4.18Å
272R90.7Very high90.3Very high151 Ų15158 Ų5857%0.5730%0.302SS*.Hα-helixtrans-56.7-47176.7-175-162.866172.4-0.6112F268 I270 L275 L276F268-R272 PolarHBondContact O-N 3.03Å; I270-R272 VanDerWaalsContact C-N 3.28Å; I270-R272 PolarHBondContact O-N 3.48Å; R272-L275 PolarHBondContact O-N 3.29Å; R272-L276 WeakPolarHBondContact O-CB 3.42Å; R272-L276 PolarHBondContact O-N 3.22Å
273D87.6Confident90Very high35 Ų3555.3 Ų55.319%0.18729%0.289CS..Hα-helixtrans-63.8-41.4179.2-71.22000112.2R219 T269 I270 M271 L276 V277 M314R219-D273 IonicContact CZ-OD2 2.94Å; R219-D273 IonicContact NH1-OD2 3.27Å; R219-D273 IonicContact NH2-OD2 2.74Å; T269-D273 PolarHBondContact O-N 3.37Å; I270-D273 PolarHBondContact O-N 3.46Å; M271-D273 PolarHBondContact O-N 2.98Å; D273-L276 PolarHBondContact O-N 3.33Å; D273-V277 WeakPolarHBondContact O-CG2 3.43Å; D273-V277 PolarHBondContact O-N 2.89Å; D273-V277 VanDerWaalsContact O-N 3.16Å; D273-M314 HydrophobicContact CB-CE 4.3Å
274I90.1Very high89.3Confident1 Ų159.4 Ų59.41%0.00532%0.317CS..Hα-helixtrans-63.2-47.5177.1-73.4172.9000110.5I129 A132 L133 V136 I270 M271 L276 V277 L278I129-I274 HydrophobicContact CG2-CB 4.44Å; I129-I274 HydrophobicContact CG2-CG2 3.69Å; A132-I274 HydrophobicContact CB-CD1 3.74Å; L133-I274 HydrophobicContact CB-CG2 3.89Å; L133-I274 HydrophobicContact CD1-CG2 3.99Å; L133-I274 HydrophobicContact CG-CG2 4.42Å; V136-I274 HydrophobicContact CG2-CD1 4.43Å; I270-I274 HydrophobicContact CG2-CD1 3.75Å; I270-I274 HydrophobicContact CG2-CG1 4.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.49Å; I270-I274 PolarHBondContact O-N 3.24Å; M271-I274 PolarHBondContact O-N 3.32Å; I274-L276 VanDerWaalsContact C-N 3.28Å; I274-L276 PolarHBondContact O-N 3.4Å; I274-V277 PolarHBondContact O-N 2.92Å; I274-L278 HydrophobicContact CG2-CD1 4.26Å; I274-L278 WeakPolarHBondContact O-CG 3.31Å; I274-L278 PolarHBondContact O-N 3.43Å
275L92.8Very high88.5Confident73 Ų7359 Ų5938%0.38233%0.331SS..Hα-helixtrans-62.2-38.7178-70.1175.7000111.2M271 R272 V277 L278 M279M271-L275 HydrophobicContact CG-CD1 3.95Å; M271-L275 HydrophobicContact CG-CG 4.37Å; M271-L275 WeakPolarHBondContact O-CB 3.36Å; M271-L275 VanDerWaalsContact O-CG 3.28Å; M271-L275 WeakPolarHBondContact O-CG 3.43Å; M271-L275 PolarHBondContact O-N 2.86Å; M271-L275 HydrophobicContact SD-CD1 4.21Å; M271-L275 HydrophobicContact SD-CG 4.18Å; R272-L275 PolarHBondContact O-N 3.29Å; L275-V277 VanDerWaalsContact C-N 3.32Å; L275-V277 PolarHBondContact O-N 2.99Å; L275-L278 PolarHBondContact O-N 3.48Å; L275-L278 VanDerWaalsContact O-N 3.17Å; L275-M279 HydrophobicContact CB-CE 4.39Å; L275-M279 WeakPolarHBondContact O-CB 2.98Å; L275-M279 VanDerWaalsContact O-CG 3.28Å; L275-M279 WeakPolarHBondContact O-CG 3.42Å; L275-M279 PolarHBondContact O-N 2.95Å
276L91.1Very high88.2Confident65 Ų6556 Ų5634%0.3431%0.31SS..Hα-helixtrans-61.1-40.7175.8-171.1147.5000111.8R272 D273 I274 M279 E280 G281 T282R272-L276 WeakPolarHBondContact O-CB 3.42Å; R272-L276 PolarHBondContact O-N 3.22Å; D273-L276 PolarHBondContact O-N 3.33Å; I274-L276 VanDerWaalsContact C-N 3.28Å; I274-L276 PolarHBondContact O-N 3.4Å; L276-M279 PolarHBondContact O-N 3.44Å; L276-E280 PolarHBondContact O-N 3.43Å; L276-G281 WeakPolarHBondContact O-CA 3.48Å; L276-G281 PolarHBondContact O-N 3.44Å; L276-T282 WeakPolarHBondContact CD2-O 3.41Å
277V90.5Very high88.2Confident5 Ų560.7 Ų60.73%0.0332%0.322CS..Hα-helixtrans-65-40.7174175.50000111.7I129 D273 I274 L275 M279 E280 A311 M314I129-V277 HydrophobicContact CD1-CG1 4.16Å; I129-V277 HydrophobicContact CG1-CG1 3.95Å; I129-V277 HydrophobicContact CG2-CB 4.41Å; I129-V277 HydrophobicContact CG2-CG1 4.31Å; D273-V277 WeakPolarHBondContact O-CG2 3.43Å; D273-V277 PolarHBondContact O-N 2.89Å; D273-V277 VanDerWaalsContact O-N 3.16Å; I274-V277 PolarHBondContact O-N 2.92Å; L275-V277 VanDerWaalsContact C-N 3.32Å; L275-V277 PolarHBondContact O-N 2.99Å; V277-M279 VanDerWaalsContact C-N 3.34Å; V277-E280 PolarHBondContact O-N 3.04Å; V277-A311 HydrophobicContact CG1-CB 4.17Å; V277-A311 HydrophobicContact CG2-CB 4.15Å; V277-M314 HydrophobicContact CG2-SD 3.97Å
278L92.9Very high88.3Confident52 Ų5263 Ų6327%0.27233%0.33SS..Hα-helixtrans-68.1-33.6178.5-69.1176.2000112.9I129 L130 L133 I274 L275 E280I129-L278 HydrophobicContact CB-CD2 4.49Å; I129-L278 HydrophobicContact CG2-CD1 4.41Å; I129-L278 HydrophobicContact CG2-CD2 3.83Å; I129-L278 HydrophobicContact CG2-CG 3.83Å; L130-L278 HydrophobicContact CD2-CD1 4.47Å; L130-L278 HydrophobicContact CD2-CD2 4.1Å; L133-L278 HydrophobicContact CD2-CD1 3.96Å; I274-L278 HydrophobicContact CG2-CD1 4.26Å; I274-L278 WeakPolarHBondContact O-CG 3.31Å; I274-L278 PolarHBondContact O-N 3.43Å; L275-L278 PolarHBondContact O-N 3.48Å; L275-L278 VanDerWaalsContact O-N 3.17Å; L278-E280 PolarHBondContact O-N 2.99Å
279M94.3Very high88.3Confident144 Ų14459.4 Ų59.471%0.70932%0.321SS*.THydrogen-bonded Turntrans-8211.1175.3-66-173-59.200113.2L275 L276 V277 G281L275-M279 HydrophobicContact CB-CE 4.39Å; L275-M279 WeakPolarHBondContact O-CB 2.98Å; L275-M279 VanDerWaalsContact O-CG 3.28Å; L275-M279 WeakPolarHBondContact O-CG 3.42Å; L275-M279 PolarHBondContact O-N 2.95Å; L276-M279 PolarHBondContact O-N 3.44Å; V277-M279 VanDerWaalsContact C-N 3.34Å; M279-G281 PolarHBondContact O-N 3.23Å
280E93.6Very high88.5Confident107 Ų10759.8 Ų59.850%0.532%0.318SS..THydrogen-bonded Turntrans60.928.3179-43.2-158.6135.400113.6R126 L276 V277 L278 W310R126-E280 IonicContact CZ-OE1 3.98Å; R126-E280 IonicContact NH1-OE1 3.66Å; R126-E280 PolarHBondContact NH1-OE1 3.32Å; R126-E280 VanDerWaalsContact NH1-OE1 3.16Å; R126-E280 IonicContact NH2-OE1 2.74Å; R126-E280 PolarHBondContact NH2-OE1 3.43Å; L276-E280 PolarHBondContact O-N 3.43Å; V277-E280 PolarHBondContact O-N 3.04Å; L278-E280 PolarHBondContact O-N 2.99Å; E280-W310 HydrophobicContact CB-CB 3.92Å; E280-W310 HydrophobicContact CB-CG 4.46Å; E280-W310 WeakPolarHBondContact O-CB 3.33Å
281G90.4Very high88.7Confident21 Ų2159.2 Ų59.222%0.21632%0.315CS..PPolyproline II helixtrans-69.4157.8175.800000112.9L276 M279L276-G281 WeakPolarHBondContact O-CA 3.48Å; L276-G281 PolarHBondContact O-N 3.44Å; M279-G281 PolarHBondContact O-N 3.23Å
282T88.9Confident88.8Confident50 Ų5062.2 Ų62.231%0.30733%0.326SS..PPolyproline II helixtrans-68.6128.3178.4-55.60000110.9L276 V286 I309L276-T282 WeakPolarHBondContact CD2-O 3.41Å; T282-V286 WeakPolarHBondContact CG2-O 3.19Å; T282-I309 WeakPolarHBondContact CA-O 3.33Å; T282-I309 HydrophobicContact CG2-CB 4.14Å; T282-I309 HydrophobicContact CG2-CG2 3.98Å; T282-I309 PolarHBondContact OG1-O 3Å
283P83.9Confident88.9Confident16 Ų1659.1 Ų59.110%0.10432%0.321CS..PPolyproline II helixtrans-64.9147.8-176.724.1-31.2000112.3G285 V286 A311 A317P283-G285 PolarHBondContact O-N 3.03Å; P283-V286 HydrophobicContact CG-CB 4.17Å; P283-V286 HydrophobicContact CG-CG2 4.12Å; P283-V286 PolarHBondContact O-N 3.19Å; P283-V286 VanDerWaalsContact O-O 3.1Å; P283-A311 HydrophobicContact CB-CB 4.12Å; P283-A311 HydrophobicContact CG-CB 4.34Å; P283-A317 HydrophobicContact CG-CB 3.93Å
284S75.1Confident89Confident90 Ų9063.8 Ų63.863%0.62934%0.336SS*.THydrogen-bonded Turntrans-60.7-16.9-175520000115.5Q213Q213-S284 PolarHBondContact NE2-OG 3.01Å; Q213-S284 VanDerWaalsContact NE2-OG 3.11Å
285G75.8Confident89.1Confident65 Ų6563.8 Ų63.867%0.6734%0.336SS*.THydrogen-bonded Turntrans-90.7-2.6175.700000115.4P283P283-G285 PolarHBondContact O-N 3.03Å
286V83Confident89.2Confident16 Ų1662.9 Ų62.910%0.09733%0.331CS..SBendtrans-129.8118.8-178.1-177.20000108.7T282 P283 V291 I309 A317 Y346 F348T282-V286 WeakPolarHBondContact CG2-O 3.19Å; P283-V286 HydrophobicContact CG-CB 4.17Å; P283-V286 HydrophobicContact CG-CG2 4.12Å; P283-V286 PolarHBondContact O-N 3.19Å; P283-V286 VanDerWaalsContact O-O 3.1Å; V286-V291 HydrophobicContact CG1-CG2 3.38Å; V286-I309 HydrophobicContact CG1-CD1 4.45Å; V286-I309 HydrophobicContact CG1-CG2 4.2Å; V286-A317 HydrophobicContact CG2-CB 4.5Å; V286-Y346 HydrophobicContact CG1-CD1 4.24Å; V286-Y346 HydrophobicContact CG1-CE1 4.32Å; V286-Y346 HydrophobicContact CG2-CD1 4.14Å; V286-F348 HydrophobicContact CG1-CZ 4.14Å
287R87.8Confident89.3Confident158 Ų15863.6 Ų63.660%0.59635%0.346SS*.  trans-90.5129.9175.7-67.7-173-62166.7-0.3110.1S289 E290 V291R287-S289 PolarHBondContact O-N 3.26Å; R287-E290 HydrophobicContact CB-CB 3.93Å; R287-E290 IonicContact CZ-OE2 3.63Å; R287-E290 VanDerWaalsContact CZ-OE2 3.27Å; R287-E290 IonicContact NE-OE2 3.63Å; R287-E290 PolarHBondContact NE-OE2 2.68Å; R287-E290 IonicContact NH2-OE2 2.73Å; R287-E290 PolarHBondContact NH2-OE2 3.31Å; R287-E290 PolarHBondContact O-N 3.14Å; R287-V291 PolarHBondContact O-N 3.46Å; R287-V291 VanDerWaalsContact O-N 3.11Å
288Y90.8Very high89.3Confident49 Ų4963.9 Ų63.919%0.19235%0.348CS..Hα-helixtrans-52.6-51.9178.8179.5-87.5000112.4E290 V291 R292 L307 I309 P371Y288-E290 VanDerWaalsContact C-N 3.35Å; Y288-E290 PolarHBondContact O-N 3.07Å; Y288-V291 PolarHBondContact O-N 3.06Å; Y288-R292 WeakPolarHBondContact O-CB 3.45Å; Y288-R292 PolarHBondContact O-N 2.96Å; Y288-L307 HydrophobicContact CD2-CD2 4.18Å; Y288-L307 HydrophobicContact CD2-CG 4.39Å; Y288-L307 HydrophobicContact CE1-CD2 4.37Å; Y288-L307 HydrophobicContact CE2-CB 4.04Å; Y288-L307 HydrophobicContact CE2-CD2 3.73Å; Y288-L307 HydrophobicContact CE2-CG 3.75Å; Y288-L307 WeakPolarHBondContact CE2-O 3.34Å; Y288-I309 HydrophobicContact CD2-CD1 4.34Å; Y288-P371 HydrophobicContact CD1-CG 4.45Å; Y288-P371 HydrophobicContact CD2-CG 4.49Å; Y288-P371 HydrophobicContact CE1-CG 3.88Å; Y288-P371 HydrophobicContact CE2-CG 3.89Å; Y288-P371 WeakPolarHBondContact OH-CD 3.25Å
289S90.6Very high89.2Confident54 Ų5467.8 Ų67.838%0.37837%0.369SS..Hα-helixtrans-60.6-42.5-179.750.20000112.4R287 V291 R292 D293R287-S289 PolarHBondContact O-N 3.26Å; S289-V291 PolarHBondContact O-N 2.68Å; S289-R292 PolarHBondContact O-N 2.89Å; S289-D293 WeakPolarHBondContact O-CB 3.48Å; S289-D293 PolarHBondContact O-N 3.34Å
290E90.5Very high89Confident81 Ų8162 Ų6238%0.37935%0.347SS..Hα-helixtrans-65.8-37.9-178.8-162.5-177.2159.700112.6R287 Y288 R294 Y346R287-E290 HydrophobicContact CB-CB 3.93Å; R287-E290 IonicContact CZ-OE2 3.63Å; R287-E290 VanDerWaalsContact CZ-OE2 3.27Å; R287-E290 IonicContact NE-OE2 3.63Å; R287-E290 PolarHBondContact NE-OE2 2.68Å; R287-E290 IonicContact NH2-OE2 2.73Å; R287-E290 PolarHBondContact NH2-OE2 3.31Å; R287-E290 PolarHBondContact O-N 3.14Å; Y288-E290 VanDerWaalsContact C-N 3.35Å; Y288-E290 PolarHBondContact O-N 3.07Å; E290-R294 VanDerWaalsContact O-CB 3.26Å; E290-R294 WeakPolarHBondContact O-CB 2.99Å; E290-R294 PolarHBondContact O-N 2.94Å; E290-R294 VanDerWaalsContact O-N 3.15Å; E290-Y346 WeakPolarHBondContact CG-OH 3.31Å
291V91.3Very high88.9Confident1 Ų157.8 Ų57.81%0.00633%0.328CS..Hα-helixtrans-67.6-45.7173.9174.70000110.6V286 R287 Y288 S289 R294 L295 I309 L319 Y346 F348V286-V291 HydrophobicContact CG1-CG2 3.38Å; R287-V291 PolarHBondContact O-N 3.46Å; R287-V291 VanDerWaalsContact O-N 3.11Å; Y288-V291 PolarHBondContact O-N 3.06Å; S289-V291 PolarHBondContact O-N 2.68Å; V291-R294 PolarHBondContact O-N 3.45Å; V291-L295 HydrophobicContact CG1-CD1 3.97Å; V291-L295 WeakPolarHBondContact O-CG 3.47Å; V291-L295 PolarHBondContact O-N 3.48Å; V291-I309 HydrophobicContact CB-CD1 3.79Å; V291-I309 HydrophobicContact CG1-CD1 3.83Å; V291-I309 HydrophobicContact CG2-CD1 3.93Å; V291-L319 HydrophobicContact CG1-CD1 3.53Å; V291-Y346 HydrophobicContact CG2-CD2 4.23Å; V291-Y346 HydrophobicContact CG2-CE1 4.2Å; V291-Y346 HydrophobicContact CG2-CE2 3.7Å; V291-F348 HydrophobicContact CG2-CZ 4.24Å
292R92.8Very high89Confident72 Ų7261.7 Ų61.727%0.27234%0.339SS..Hα-helixtrans-58.5-51.5177.9176.6177.4171.3-95.10.9111.7Y288 S289 R294 L295 L296 L307 N370Y288-R292 WeakPolarHBondContact O-CB 3.45Å; Y288-R292 PolarHBondContact O-N 2.96Å; S289-R292 PolarHBondContact O-N 2.89Å; R292-R294 PolarHBondContact O-N 2.93Å; R292-L295 PolarHBondContact O-N 3.38Å; R292-L295 VanDerWaalsContact O-N 3.13Å; R292-L296 HydrophobicContact CG-CD1 4.02Å; R292-L296 WeakPolarHBondContact O-CG 3.43Å; R292-L296 PolarHBondContact O-N 3.04Å; R292-L307 HydrophobicContact CB-CD2 3.82Å; R292-N370 PolarHBondContact NE-OD1 3.01Å
293D92.4Very high89.1Confident86 Ų8660.7 Ų60.746%0.4634%0.336SS..Hα-helixtrans-64-34.1-177.5-63.4-17.8000111.1S289 L296 A297S289-D293 WeakPolarHBondContact O-CB 3.48Å; S289-D293 PolarHBondContact O-N 3.34Å; D293-L296 PolarHBondContact O-N 3.41Å; D293-A297 WeakPolarHBondContact O-CB 3.46Å; D293-A297 PolarHBondContact O-N 3.35Å
294R91.3Very high89.5Confident133 Ų13360.4 Ų60.450%0.50233%0.334SS..Hα-helixtrans-67.5-40174.2-165.1114179.11411.9112.7E290 V291 R292 A297 S345E290-R294 VanDerWaalsContact O-CB 3.26Å; E290-R294 WeakPolarHBondContact O-CB 2.99Å; E290-R294 PolarHBondContact O-N 2.94Å; E290-R294 VanDerWaalsContact O-N 3.15Å; V291-R294 PolarHBondContact O-N 3.45Å; R292-R294 PolarHBondContact O-N 2.93Å; R294-A297 PolarHBondContact O-N 3.3Å; R294-S345 PolarHBondContact NE-OG 2.94Å
295L92.4Very high90.3Very high1 Ų156.7 Ų56.71%0.00531%0.307CS..Hα-helixtrans-69.1-37.9176.4-69.1169.1000111.4V291 R292 A297 V298 V304 L307 M338V291-L295 HydrophobicContact CG1-CD1 3.97Å; V291-L295 WeakPolarHBondContact O-CG 3.47Å; V291-L295 PolarHBondContact O-N 3.48Å; R292-L295 PolarHBondContact O-N 3.38Å; R292-L295 VanDerWaalsContact O-N 3.13Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 2.92Å; L295-V298 PolarHBondContact O-N 3.5Å; L295-V304 HydrophobicContact CB-CG2 3.82Å; L295-V304 HydrophobicContact CD1-CG1 4.41Å; L295-L307 HydrophobicContact CD1-CD1 4.39Å; L295-M338 HydrophobicContact CB-CE 3.67Å; L295-M338 HydrophobicContact CD2-CB 4.06Å; L295-M338 HydrophobicContact CD2-CE 3.38Å; L295-M338 HydrophobicContact CD2-CG 4.37Å; L295-M338 HydrophobicContact CG-CE 4.04Å
296L93.1Very high91.1Very high55 Ų5556.1 Ų56.129%0.28829%0.288SS..Hα-helixtrans-67.1-26.8174-73172.2000113.2R292 D293 V298 V301 V304R292-L296 HydrophobicContact CG-CD1 4.02Å; R292-L296 WeakPolarHBondContact O-CG 3.43Å; R292-L296 PolarHBondContact O-N 3.04Å; D293-L296 PolarHBondContact O-N 3.41Å; L296-V298 PolarHBondContact O-N 2.9Å; L296-V301 HydrophobicContact CD2-CG1 4.31Å; L296-V304 HydrophobicContact CD2-CB 4.19Å; L296-V304 HydrophobicContact CD2-CG2 3.72Å; L296-V304 HydrophobicContact CG-CB 4.4Å; L296-V304 HydrophobicContact CG-CG2 3.91Å
297A93.2Very high91.6Very high80 Ų8055.8 Ų55.866%0.66129%0.286SS*.THydrogen-bonded Turntrans-76.4-6.6179.900000114.1D293 R294 L295D293-A297 WeakPolarHBondContact O-CB 3.46Å; D293-A297 PolarHBondContact O-N 3.35Å; R294-A297 PolarHBondContact O-N 3.3Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 2.92Å
298V91Very high91.8Very high11 Ų1152.9 Ų52.97%0.06728%0.279CS..SBendtrans-77.4128.9175.3177.40000109.5L295 L296 G300 V301 I334 E337 M338L295-V298 PolarHBondContact O-N 3.5Å; L296-V298 PolarHBondContact O-N 2.9Å; V298-G300 PolarHBondContact O-N 2.84Å; V298-V301 HydrophobicContact CB-CG2 3.99Å; V298-V301 HydrophobicContact CG1-CG2 4.3Å; V298-V301 WeakPolarHBondContact O-CB 3.25Å; V298-V301 PolarHBondContact O-N 3.27Å; V298-V301 VanDerWaalsContact O-N 3.16Å; V298-I334 HydrophobicContact CG1-CG2 4.34Å; V298-E337 HydrophobicContact CG1-CB 4.32Å; V298-E337 HydrophobicContact CG1-CG 4.02Å; V298-M338 HydrophobicContact CB-CG 4.13Å; V298-M338 HydrophobicContact CG1-CG 4.02Å; V298-M338 HydrophobicContact CG2-CG 3.94Å
299D90.8Very high92Very high133 Ų13350.9 Ų50.971%0.71127%0.271SS*.THydrogen-bonded Turntrans-58.6132-177.7-72.9-32.9000111.2I334D299-I334 WeakPolarHBondContact O-CD1 3.29Å
300G89.8Confident92.1Very high24 Ų2450.1 Ų50.125%0.24726%0.26CS..THydrogen-bonded Turntrans91.4-8.3-178.400000115.3V298 I325 D326V298-G300 PolarHBondContact O-N 2.84Å; G300-I325 WeakPolarHBondContact O-CA 3.3Å; G300-D326 PolarHBondContact O-N 2.99Å
301V93Very high92.1Very high17 Ų1746.2 Ų46.210%0.10324%0.242CC..EExtended strand (participates in β ladder)trans-79.8127.3169.81780000110.1L296 V298 V304 I323 I334 M338L296-V301 HydrophobicContact CD2-CG1 4.31Å; V298-V301 HydrophobicContact CB-CG2 3.99Å; V298-V301 HydrophobicContact CG1-CG2 4.3Å; V298-V301 WeakPolarHBondContact O-CB 3.25Å; V298-V301 PolarHBondContact O-N 3.27Å; V298-V301 VanDerWaalsContact O-N 3.16Å; V301-V304 HydrophobicContact CG1-CG2 4.06Å; V301-I323 HydrophobicContact CB-CG2 4.41Å; V301-I323 HydrophobicContact CG1-CG2 3.76Å; V301-I323 HydrophobicContact CG2-CG2 3.91Å; V301-I334 HydrophobicContact CG2-CG2 3.9Å; V301-M338 HydrophobicContact CG2-CE 3.97Å; V301-M338 HydrophobicContact CG2-SD 3.79Å
302K91.7Very high91.9Very high104 Ų10446.4 Ų46.445%0.45224%0.243SC..EExtended strand (participates in β ladder)trans-100.8-38.6178-60.6-64.2-177.1175.10112.4A324 D326K302-A324 PolarHBondContact N-O 2.97Å; K302-D326 WeakPolarHBondContact CE-OD2 3.32Å; K302-D326 IonicContact NZ-OD2 2.82Å; K302-D326 PolarHBondContact NZ-OD2 2.76Å
303A91Very high91.6Very high28 Ų2843.4 Ų43.423%0.23123%0.233CC..EExtended strand (participates in β ladder)trans-150.1149.4179.300000111.5A324 L361A303-A324 HydrophobicContact CB-CB 4.13Å; A303-A324 PolarHBondContact N-O 2.95Å; A303-A324 PolarHBondContact O-N 3.31Å; A303-L361 HydrophobicContact CB-CD1 4.28Å; A303-L361 HydrophobicContact CB-CD2 4.49Å
304V92.8Very high91Very high10 Ų1040.2 Ų40.26%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-119.6125.2168.2176.40000107.1L295 L296 V301 L307 I323L295-V304 HydrophobicContact CB-CG2 3.82Å; L295-V304 HydrophobicContact CD1-CG1 4.41Å; L296-V304 HydrophobicContact CD2-CB 4.19Å; L296-V304 HydrophobicContact CD2-CG2 3.72Å; L296-V304 HydrophobicContact CG-CB 4.4Å; L296-V304 HydrophobicContact CG-CG2 3.91Å; V301-V304 HydrophobicContact CG1-CG2 4.06Å; V304-L307 HydrophobicContact CG1-CB 4.26Å; V304-L307 HydrophobicContact CG1-CD2 4.49Å; V304-I323 HydrophobicContact CB-CD1 4.07Å; V304-I323 HydrophobicContact CG1-CD1 3.8Å; V304-I323 HydrophobicContact CG2-CD1 3.56Å
305H91.5Very high90.3Very high13 Ų1335 Ų356%0.0620%0.197CC..EExtended strand (participates in β ladder)trans-142169.1178.157.491.5000110.6L307 H322 E356 C368H305-L307 PolarHBondContact O-N 2.77Å; H305-L307 VanDerWaalsContact O-N 3.08Å; H305-H322 WeakPolarHBondContact CE1-CB 3.48Å; H305-H322 PolarHBondContact N-O 3.49Å; H305-H322 WeakPolarHBondContact O-CB 3.47Å; H305-H322 PolarHBondContact O-N 2.89Å; H305-H322 VanDerWaalsContact O-O 3.08Å; H305-E356 IonicContact CE1-OE2 3.1Å; H305-E356 PolarHBondContact CE1-OE2 3.14Å; H305-E356 IonicContact NE2-OE2 3.39Å; H305-E356 PolarHBondContact NE2-OE2 3.18Å; H305-C368 HydrophobicContact CB-CB 4.04Å
306N91.6Very high89.8Confident53 Ų5335.6 Ų35.628%0.28320%0.2SC..EExtended strand (participates in β ladder)trans50.236.8-176.7-155.431.6000112.6H308 H322N306-H308 PolarHBondContact O-CD2 3.47Å; N306-H308 VanDerWaalsContact O-CD2 3.26Å; N306-H308 PolarHBondContact O-N 3.45Å; N306-H308 PolarHBondContact OD1-NE2 2.85Å; N306-H322 HydrophobicContact CB-CB 4.3Å; N306-H322 PolarHBondContact ND2-NE2 3.2Å; N306-H322 VanDerWaalsContact ND2-NE2 3.1Å
307L93.3Very high89.6Confident9 Ų933.3 Ų33.35%0.04719%0.189CC..EExtended strand (participates in β ladder)trans-76.8115.8179.8172.864.1000108.4Y288 R292 L295 V304 H305 I309 L319 A321Y288-L307 HydrophobicContact CD2-CD2 4.18Å; Y288-L307 HydrophobicContact CD2-CG 4.39Å; Y288-L307 HydrophobicContact CE1-CD2 4.37Å; Y288-L307 HydrophobicContact CE2-CB 4.04Å; Y288-L307 HydrophobicContact CE2-CD2 3.73Å; Y288-L307 HydrophobicContact CE2-CG 3.75Å; Y288-L307 WeakPolarHBondContact CE2-O 3.34Å; R292-L307 HydrophobicContact CB-CD2 3.82Å; L295-L307 HydrophobicContact CD1-CD1 4.39Å; V304-L307 HydrophobicContact CG1-CB 4.26Å; V304-L307 HydrophobicContact CG1-CD2 4.49Å; H305-L307 PolarHBondContact O-N 2.77Å; H305-L307 VanDerWaalsContact O-N 3.08Å; L307-I309 HydrophobicContact CD1-CD1 4.15Å; L307-I309 HydrophobicContact CD1-CG1 3.92Å; L307-I309 HydrophobicContact CD2-CD1 4.22Å; L307-I309 HydrophobicContact CG-CD1 4.22Å; L307-I309 HydrophobicContact CG-CG1 4.19Å; L307-L319 HydrophobicContact CD1-CD1 4.07Å; L307-L319 HydrophobicContact CD1-CD2 4.26Å; L307-L319 HydrophobicContact CD1-CG 4.03Å; L307-A321 HydrophobicContact CB-CB 4.5Å; L307-A321 HydrophobicContact CD1-CB 3.73Å
308H93.9Very high89.5Confident97 Ų9729.5 Ų29.545%0.44916%0.158SC..EExtended strand (participates in β ladder)trans-115.8127.8173.8-65-75.7000109.6N306 W310 L319 S320N306-H308 PolarHBondContact O-CD2 3.47Å; N306-H308 VanDerWaalsContact O-CD2 3.26Å; N306-H308 PolarHBondContact O-N 3.45Å; N306-H308 PolarHBondContact OD1-NE2 2.85Å; H308-W310 HydrophobicContact CB-CE3 4.09Å; H308-W310 HydrophobicContact CB-CZ3 3.99Å; H308-L319 WeakPolarHBondContact O-CA 3.31Å; H308-S320 PolarHBondContact N-O 3.46Å; H308-S320 PolarHBondContact O-N 2.64Å
309I93.4Very high89.6Confident7 Ų729 Ų294%0.03616%0.155CC..EExtended strand (participates in β ladder)trans-131.2116175.7-53.9168.6000107.3T282 V286 Y288 V291 L307 V318 L319 F348T282-I309 WeakPolarHBondContact CA-O 3.33Å; T282-I309 HydrophobicContact CG2-CB 4.14Å; T282-I309 HydrophobicContact CG2-CG2 3.98Å; T282-I309 PolarHBondContact OG1-O 3Å; V286-I309 HydrophobicContact CG1-CD1 4.45Å; V286-I309 HydrophobicContact CG1-CG2 4.2Å; Y288-I309 HydrophobicContact CD2-CD1 4.34Å; V291-I309 HydrophobicContact CB-CD1 3.79Å; V291-I309 HydrophobicContact CG1-CD1 3.83Å; V291-I309 HydrophobicContact CG2-CD1 3.93Å; L307-I309 HydrophobicContact CD1-CD1 4.15Å; L307-I309 HydrophobicContact CD1-CG1 3.92Å; L307-I309 HydrophobicContact CD2-CD1 4.22Å; L307-I309 HydrophobicContact CG-CD1 4.22Å; L307-I309 HydrophobicContact CG-CG1 4.19Å; I309-V318 WeakPolarHBondContact CA-O 3.4Å; I309-L319 HydrophobicContact CG1-CD1 4.22Å; I309-L319 HydrophobicContact CG1-CG 4.3Å; I309-F348 HydrophobicContact CG2-CE1 4.05Å
310W93.8Very high89.8Confident37 Ų3724.2 Ų24.214%0.1413%0.131CC..EExtended strand (participates in β ladder)trans-134.1171.1-18071.498.9000111.3E280 H308 A317 V318E280-W310 HydrophobicContact CB-CB 3.92Å; E280-W310 HydrophobicContact CB-CG 4.46Å; E280-W310 WeakPolarHBondContact O-CB 3.33Å; H308-W310 HydrophobicContact CB-CE3 4.09Å; H308-W310 HydrophobicContact CB-CZ3 3.99Å; W310-A317 CarbonylContact O-C 3.53Å; W310-A317 WeakPolarHBondContact O-CA 3.31Å; W310-V318 HydrophobicContact CD2-CB 4.02Å; W310-V318 HydrophobicContact CD2-CG1 4.37Å; W310-V318 HydrophobicContact CE3-CB 4.47Å; W310-V318 HydrophobicContact CH2-CB 4.21Å; W310-V318 HydrophobicContact CH2-CG1 3.49Å; W310-V318 VanDerWaalsContact CH2-CG1 3.49Å; W310-V318 HydrophobicContact CZ2-CB 3.73Å; W310-V318 HydrophobicContact CZ2-CG1 3.25Å; W310-V318 HydrophobicContact CZ3-CG1 4.13Å; W310-V318 PolarHBondContact N-O 3.08Å; W310-V318 VanDerWaalsContact N-O 3.08Å; W310-V318 PolarHBondContact O-N 3.31Å
311A89.9Confident90.1Very high0 Ų023 Ų230%012%0.12CC..EExtended strand (participates in β ladder)trans-113.9138.4178.100000111.6V277 P283 Q316V277-A311 HydrophobicContact CG1-CB 4.17Å; V277-A311 HydrophobicContact CG2-CB 4.15Å; P283-A311 HydrophobicContact CB-CB 4.12Å; P283-A311 HydrophobicContact CG-CB 4.34Å; A311-Q316 WeakPolarHBondContact CA-O 3.43Å
312L87.8Confident90.1Very high5 Ų523.7 Ų23.73%0.02612%0.121CC..EExtended strand (participates in β ladder)trans-85.9-37165.8-64.7175.6000110.9Y122 Y125 R126 Q316 V318Y122-L312 HydrophobicContact CD1-CD1 3.95Å; Y122-L312 HydrophobicContact CD2-CD2 4.49Å; Y122-L312 HydrophobicContact CG-CD1 4.25Å; Y122-L312 HydrophobicContact CG-CD2 4.17Å; Y125-L312 HydrophobicContact CD2-CD1 4.39Å; R126-L312 VanDerWaalsContact CG-O 3.32Å; R126-L312 WeakPolarHBondContact CG-O 3.5Å; L312-Q316 HydrophobicContact CB-CB 4.07Å; L312-Q316 PolarHBondContact N-O 3.29Å; L312-V318 HydrophobicContact CD1-CG2 3.73Å; L312-V318 HydrophobicContact CG-CG2 3.81Å
313T86.2Confident90.2Very high9 Ų918.7 Ų18.76%0.05510%0.1CC..EExtended strand (participates in β ladder)trans-147.6175.9172.661.60000108.4Y125 N315 Q316Y125-T313 WeakPolarHBondContact O-CG2 3.3Å; T313-N315 PolarHBondContact O-N 3.34Å; T313-Q316 PolarHBondContact O-N 3Å; T313-Q316 VanDerWaalsContact O-N 3.14Å; T313-Q316 WeakPolarHBondContact OG1-CB 3.24Å; T313-Q316 WeakPolarHBondContact OG1-CG 3.19Å; T313-Q316 PolarHBondContact OG1-OE1 3.48Å
314M79.4Confident90.3Very high19 Ų1917.4 Ų17.49%0.0949%0.089CC..THydrogen-bonded Turntrans-53.4-27.2-179.7-49-55.4-68.400113.8I129 A216 R219 D273 V277I129-M314 HydrophobicContact CD1-CG 4.48Å; I129-M314 HydrophobicContact CD1-SD 4.25Å; A216-M314 HydrophobicContact CB-CG 3.89Å; R219-M314 VanDerWaalsContact CZ-CE 3.47Å; R219-M314 VanDerWaalsContact NH1-CE 3.3Å; D273-M314 HydrophobicContact CB-CE 4.3Å; V277-M314 HydrophobicContact CG2-SD 3.97Å
315N76.4Confident90.4Very high23 Ų2317 Ų1712%0.1239%0.086CC..THydrogen-bonded Turntrans-1155.5-175.4-66.6-21.7000114.3R51 Q213 T313R51-N315 PolarHBondContact NH2-O 3.09Å; Q213-N315 WeakPolarHBondContact CB-OD1 3.41Å; Q213-N315 PolarHBondContact O-ND2 2.98Å; Q213-N315 PolarHBondContact O-OD1 3.21Å; T313-N315 PolarHBondContact O-N 3.34Å
316Q81.9Confident90.2Very high13 Ų1318.3 Ų18.36%0.0619%0.094CC..EExtended strand (participates in β ladder)trans-123.485.7-177.1-69.9174.9-57.300110A311 L312 T313 H349A311-Q316 WeakPolarHBondContact CA-O 3.43Å; L312-Q316 HydrophobicContact CB-CB 4.07Å; L312-Q316 PolarHBondContact N-O 3.29Å; T313-Q316 PolarHBondContact O-N 3Å; T313-Q316 VanDerWaalsContact O-N 3.14Å; T313-Q316 WeakPolarHBondContact OG1-CB 3.24Å; T313-Q316 WeakPolarHBondContact OG1-CG 3.19Å; T313-Q316 PolarHBondContact OG1-OE1 3.48Å; Q316-H349 HydrophobicContact CB-CB 4.2Å; Q316-H349 HydrophobicContact CG-CB 4.5Å; Q316-H349 PolarHBondContact NE2-CD2 3.38Å; Q316-H349 VanDerWaalsContact NE2-CD2 3.29Å
317A88.6Confident89.9Confident8 Ų820.1 Ų20.17%0.06610%0.103CC..EExtended strand (participates in β ladder)trans-78.4145171.300000110.6P283 V286 W310 F348 H349P283-A317 HydrophobicContact CG-CB 3.93Å; V286-A317 HydrophobicContact CG2-CB 4.5Å; W310-A317 CarbonylContact O-C 3.53Å; W310-A317 WeakPolarHBondContact O-CA 3.31Å; A317-F348 HydrophobicContact CB-CD1 3.63Å; A317-F348 HydrophobicContact CB-CE1 3.86Å; A317-F348 CarbonylContact O-C 3.56Å; A317-F348 WeakPolarHBondContact O-CA 3.47Å; A317-H349 WeakPolarHBondContact O-CB 3.24Å; A317-H349 PolarHBondContact O-N 3.22Å
318V91.5Very high89.6Confident0 Ų024.6 Ų24.60%014%0.135CC..EExtended strand (participates in β ladder)trans-125.2143.8171.4-178.10000108.1I309 W310 L312 H349 S350I309-V318 WeakPolarHBondContact CA-O 3.4Å; W310-V318 HydrophobicContact CD2-CB 4.02Å; W310-V318 HydrophobicContact CD2-CG1 4.37Å; W310-V318 HydrophobicContact CE3-CB 4.47Å; W310-V318 HydrophobicContact CH2-CB 4.21Å; W310-V318 HydrophobicContact CH2-CG1 3.49Å; W310-V318 VanDerWaalsContact CH2-CG1 3.49Å; W310-V318 HydrophobicContact CZ2-CB 3.73Å; W310-V318 HydrophobicContact CZ2-CG1 3.25Å; W310-V318 HydrophobicContact CZ3-CG1 4.13Å; W310-V318 PolarHBondContact N-O 3.08Å; W310-V318 VanDerWaalsContact N-O 3.08Å; W310-V318 PolarHBondContact O-N 3.31Å; L312-V318 HydrophobicContact CD1-CG2 3.73Å; L312-V318 HydrophobicContact CG-CG2 3.81Å; V318-H349 HydrophobicContact CG2-CB 4.44Å; V318-S350 WeakPolarHBondContact CA-O 3.44Å
319L93.7Very high89.3Confident0 Ų022 Ų220%013%0.126CC..EExtended strand (participates in β ladder)trans-124135.7178.9-174.2151000110.2V291 L307 H308 I309 A321 F348 S350 I351 T352V291-L319 HydrophobicContact CG1-CD1 3.53Å; L307-L319 HydrophobicContact CD1-CD1 4.07Å; L307-L319 HydrophobicContact CD1-CD2 4.26Å; L307-L319 HydrophobicContact CD1-CG 4.03Å; H308-L319 WeakPolarHBondContact O-CA 3.31Å; I309-L319 HydrophobicContact CG1-CD1 4.22Å; I309-L319 HydrophobicContact CG1-CG 4.3Å; L319-A321 HydrophobicContact CD2-CB 3.9Å; L319-F348 HydrophobicContact CB-CD1 3.98Å; L319-F348 HydrophobicContact CB-CE1 3.81Å; L319-F348 HydrophobicContact CB-CZ 4.19Å; L319-F348 HydrophobicContact CD1-CE1 4.1Å; L319-F348 HydrophobicContact CD1-CE2 3.99Å; L319-F348 HydrophobicContact CD1-CZ 3.62Å; L319-S350 PolarHBondContact N-O 3.35Å; L319-I351 HydrophobicContact CB-CG2 4.44Å; L319-I351 HydrophobicContact CD2-CG2 3.89Å; L319-I351 WeakPolarHBondContact O-CA 3.33Å; L319-T352 PolarHBondContact O-N 3.38Å
320S94.8Very high89.1Confident32 Ų3225.9 Ų25.922%0.22415%0.147CC..EExtended strand (participates in β ladder)trans-128.6133.8163.8-169.70000109.1H308 T352H308-S320 PolarHBondContact N-O 3.46Å; H308-S320 PolarHBondContact O-N 2.64Å; S320-T352 CarbonylContact C-O 3.59Å; S320-T352 VanDerWaalsContact CA-O 3.26Å; S320-T352 WeakPolarHBondContact CA-O 3.48Å
321A95.1Very high88.9Confident0 Ų025.6 Ų25.60%015%0.153CC..EExtended strand (participates in β ladder)trans-150.6154.6178.600000112L307 L319 I323 T352 I353 Q354L307-A321 HydrophobicContact CB-CB 4.5Å; L307-A321 HydrophobicContact CD1-CB 3.73Å; L319-A321 HydrophobicContact CD2-CB 3.9Å; A321-I323 HydrophobicContact CB-CD1 4.12Å; A321-T352 PolarHBondContact N-O 3.01Å; A321-I353 WeakPolarHBondContact O-CA 3.32Å; A321-Q354 PolarHBondContact O-N 2.87Å
322H93.7Very high88.8Confident30 Ų3032.7 Ų32.714%0.13919%0.186CC..EExtended strand (participates in β ladder)trans-109.1131.4169.9-65.6-144.3000108.8H305 N306 Q354 E356H305-H322 WeakPolarHBondContact CE1-CB 3.48Å; H305-H322 PolarHBondContact N-O 3.49Å; H305-H322 WeakPolarHBondContact O-CB 3.47Å; H305-H322 PolarHBondContact O-N 2.89Å; H305-H322 VanDerWaalsContact O-O 3.08Å; N306-H322 HydrophobicContact CB-CB 4.3Å; N306-H322 PolarHBondContact ND2-NE2 3.2Å; N306-H322 VanDerWaalsContact ND2-NE2 3.1Å; H322-Q354 WeakPolarHBondContact CA-O 3.44Å; H322-Q354 VanDerWaalsContact CE1-CD 3.5Å; H322-Q354 PolarHBondContact CE1-NE2 3.04Å; H322-Q354 PolarHBondContact ND1-NE2 2.87Å; H322-E356 IonicContact CE1-OE1 3.53Å; H322-E356 IonicContact CG-OE1 2.83Å; H322-E356 IonicContact ND1-OE1 3.57Å; H322-E356 PolarHBondContact ND1-OE1 2.74Å
323I94.5Very high88.9Confident0 Ų035.5 Ų35.50%020%0.203CC..EExtended strand (participates in β ladder)trans-124.7117.8-173.3-51.8-57.3000108.6V301 V304 A321 I325 M338 I353 Q354 M355 E356V301-I323 HydrophobicContact CB-CG2 4.41Å; V301-I323 HydrophobicContact CG1-CG2 3.76Å; V301-I323 HydrophobicContact CG2-CG2 3.91Å; V304-I323 HydrophobicContact CB-CD1 4.07Å; V304-I323 HydrophobicContact CG1-CD1 3.8Å; V304-I323 HydrophobicContact CG2-CD1 3.56Å; A321-I323 HydrophobicContact CB-CD1 4.12Å; I323-I325 HydrophobicContact CG2-CG2 4.06Å; I323-M338 HydrophobicContact CB-CE 4.21Å; I323-M338 HydrophobicContact CB-SD 4.4Å; I323-M338 HydrophobicContact CD1-CE 3.44Å; I323-M338 VanDerWaalsContact CD1-CE 3.44Å; I323-M338 HydrophobicContact CG1-CE 3.5Å; I323-M338 HydrophobicContact CG1-SD 4.06Å; I323-M338 HydrophobicContact CG2-CE 3.69Å; I323-M338 HydrophobicContact CG2-SD 3.78Å; I323-I353 HydrophobicContact CB-CG2 4.22Å; I323-I353 HydrophobicContact CD1-CG2 4.44Å; I323-I353 HydrophobicContact CG1-CG2 3.34Å; I323-Q354 PolarHBondContact N-O 3.4Å; I323-M355 HydrophobicContact CB-SD 4.23Å; I323-M355 HydrophobicContact CG2-CE 4.45Å; I323-E356 PolarHBondContact O-N 2.93Å
324A93Very high89.1Confident0 Ų035.4 Ų35.40%020%0.202CC..EExtended strand (participates in β ladder)trans-88.5122.5171.700000109.6K302 A303 E356 L361K302-A324 PolarHBondContact N-O 2.97Å; A303-A324 HydrophobicContact CB-CB 4.13Å; A303-A324 PolarHBondContact N-O 2.95Å; A303-A324 PolarHBondContact O-N 3.31Å; A324-E356 WeakPolarHBondContact CA-O 3.15Å; A324-L361 HydrophobicContact CB-CD1 3.56Å; A324-L361 HydrophobicContact CB-CD2 4.06Å; A324-L361 HydrophobicContact CB-CG 3.86Å
325I94Very high89.7Confident1 Ų137.2 Ų37.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-110.7162.8177.860.2168.8000111.6G300 I323 A331 I334 M355 E356 Q358G300-I325 WeakPolarHBondContact O-CA 3.3Å; I323-I325 HydrophobicContact CG2-CG2 4.06Å; I325-A331 HydrophobicContact CD1-CB 3.61Å; I325-I334 HydrophobicContact CG2-CG2 4.01Å; I325-M355 HydrophobicContact CB-CE 4.49Å; I325-M355 HydrophobicContact CD1-CE 3.98Å; I325-M355 HydrophobicContact CG1-CE 4.36Å; I325-M355 HydrophobicContact CG2-CE 3.4Å; I325-M355 VanDerWaalsContact CG2-CE 3.4Å; I325-E356 WeakPolarHBondContact CG1-O 3.33Å; I325-E356 PolarHBondContact N-O 3.25Å; I325-Q358 PolarHBondContact O-N 2.84Å
326D88.8Confident90.2Very high41 Ų4142.5 Ų42.522%0.21923%0.23CC..  trans-60.9146.4169.5-156.3-69.7000111.5G300 K302 S328 V329 R357G300-D326 PolarHBondContact O-N 2.99Å; K302-D326 WeakPolarHBondContact CE-OD2 3.32Å; K302-D326 IonicContact NZ-OD2 2.82Å; K302-D326 PolarHBondContact NZ-OD2 2.76Å; D326-S328 PolarHBondContact O-N 3.08Å; D326-S328 PolarHBondContact OD1-N 3.24Å; D326-S328 PolarHBondContact OD1-OG 3.42Å; D326-V329 HydrophobicContact CB-CG2 4Å; D326-V329 PolarHBondContact O-N 2.94Å; D326-R357 PolarHBondContact O-NH1 3.41Å
327D84.5Confident90.5Very high91 Ų9146.2 Ų46.249%0.48725%0.248SC..THydrogen-bonded Turntrans-66.8-24.6178.8-69-26.2000112V329 R357D327-V329 VanDerWaalsContact C-N 3.33Å; D327-V329 PolarHBondContact O-N 3.17Å; D327-R357 PolarHBondContact O-NH1 3.47Å; D327-R357 WeakPolarHBondContact OD1-CB 3.31Å; D327-R357 WeakPolarHBondContact OD1-CD 3.48Å
328S85.8Confident90.5Very high103 Ų10345.9 Ų45.972%0.7225%0.245SC*.THydrogen-bonded Turntrans-81-9.6-177.977.30000114.6D326D326-S328 PolarHBondContact O-N 3.08Å; D326-S328 PolarHBondContact OD1-N 3.24Å; D326-S328 PolarHBondContact OD1-OG 3.42Å
329V87.6Confident90.3Very high43 Ų4346.9 Ų46.926%0.26125%0.251SS..SBendtrans-104.3145.6-170.9-175.40000110.8D326 D327 A331 I334 R357D326-V329 HydrophobicContact CB-CG2 4Å; D326-V329 PolarHBondContact O-N 2.94Å; D327-V329 VanDerWaalsContact C-N 3.33Å; D327-V329 PolarHBondContact O-N 3.17Å; V329-A331 PolarHBondContact O-N 3.38Å; V329-I334 HydrophobicContact CG1-CD1 3.79Å; V329-I334 HydrophobicContact CG1-CG1 3.52Å; V329-R357 PolarHBondContact O-NH1 3.13Å; V329-R357 VanDerWaalsContact O-NH1 3.14Å
330D90.1Very high89.8Confident89 Ų8952.1 Ų52.148%0.47628%0.275SS..  trans-72.6119.8172.6171.847.3000111.2Q332 T333 I334D330-Q332 VanDerWaalsContact C-N 3.29Å; D330-Q332 PolarHBondContact O-N 3.47Å; D330-Q332 PolarHBondContact OD1-N 2.98Å; D330-T333 PolarHBondContact O-N 3.43Å; D330-T333 WeakPolarHBondContact OD2-CB 3.46Å; D330-T333 PolarHBondContact OD2-N 3.48Å; D330-T333 PolarHBondContact OD2-OG1 2.91Å; D330-I334 PolarHBondContact O-N 2.77Å
331A89.9Confident89.3Confident30 Ų3051.5 Ų51.525%0.24827%0.272CS..Hα-helixtrans-63.2-34.5-17700000112.9I325 V329 I334 L335 M355I325-A331 HydrophobicContact CD1-CB 3.61Å; V329-A331 PolarHBondContact O-N 3.38Å; A331-I334 PolarHBondContact O-N 3.49Å; A331-L335 VanDerWaalsContact O-CB 3.27Å; A331-L335 WeakPolarHBondContact O-CB 3.4Å; A331-L335 PolarHBondContact O-N 3.5Å; A331-M355 HydrophobicContact CB-CB 4.29Å; A331-M355 HydrophobicContact CB-CE 4.39Å; A331-M355 HydrophobicContact CB-CG 4.39Å
332Q88.5Confident88.8Confident149 Ų14951.7 Ų51.770%0.69627%0.273SS*.Hα-helixtrans-72.7-35.3-175.2-169.6163.7-2.400111.9D330 R336D330-Q332 VanDerWaalsContact C-N 3.29Å; D330-Q332 PolarHBondContact O-N 3.47Å; D330-Q332 PolarHBondContact OD1-N 2.98Å; Q332-R336 WeakPolarHBondContact O-CB 3.43Å; Q332-R336 PolarHBondContact O-N 3.23Å
333T88.8Confident88.1Confident64 Ų6452.4 Ų52.439%0.39328%0.276SS..Hα-helixtrans-63-48.3173.7-60.70000111.4D330 R336 E337D330-T333 PolarHBondContact O-N 3.43Å; D330-T333 WeakPolarHBondContact OD2-CB 3.46Å; D330-T333 PolarHBondContact OD2-N 3.48Å; D330-T333 PolarHBondContact OD2-OG1 2.91Å; T333-R336 PolarHBondContact O-N 3.31Å; T333-E337 PolarHBondContact O-N 3.15Å; T333-E337 VanDerWaalsContact O-N 3.09Å
334I91Very high87.3Confident8 Ų855.8 Ų55.84%0.04130%0.3CS..Hα-helixtrans-63.9-45.7177.6-60.6-52.2000111.5V298 D299 V301 I325 V329 D330 A331 R336 E337 M338 M355V298-I334 HydrophobicContact CG1-CG2 4.34Å; D299-I334 WeakPolarHBondContact O-CD1 3.29Å; V301-I334 HydrophobicContact CG2-CG2 3.9Å; I325-I334 HydrophobicContact CG2-CG2 4.01Å; V329-I334 HydrophobicContact CG1-CD1 3.79Å; V329-I334 HydrophobicContact CG1-CG1 3.52Å; D330-I334 PolarHBondContact O-N 2.77Å; A331-I334 PolarHBondContact O-N 3.49Å; I334-R336 VanDerWaalsContact C-N 3.26Å; I334-R336 PolarHBondContact O-N 3.38Å; I334-E337 PolarHBondContact O-N 3.05Å; I334-E337 VanDerWaalsContact O-N 3.14Å; I334-M338 HydrophobicContact CG2-CG 4.06Å; I334-M338 HydrophobicContact CG2-SD 3.63Å; I334-M338 VanDerWaalsContact O-CG 3.3Å; I334-M338 WeakPolarHBondContact O-CG 3.4Å; I334-M338 PolarHBondContact O-N 3.09Å; I334-M355 HydrophobicContact CB-CE 4.15Å; I334-M355 HydrophobicContact CG2-CE 3.97Å
335L91.2Very high86.5Confident56 Ų5657.8 Ų57.829%0.29331%0.314SS..Hα-helixtrans-55-43.8176.8175.861.6000111.6A331 T339 I353 M355A331-L335 VanDerWaalsContact O-CB 3.27Å; A331-L335 WeakPolarHBondContact O-CB 3.4Å; A331-L335 PolarHBondContact O-N 3.5Å; L335-T339 VanDerWaalsContact O-CB 3.22Å; L335-T339 WeakPolarHBondContact O-CB 3.36Å; L335-T339 PolarHBondContact O-N 3.42Å; L335-T339 PolarHBondContact O-OG1 2.96Å; L335-I353 HydrophobicContact CD1-CB 3.58Å; L335-I353 HydrophobicContact CD1-CD1 4.19Å; L335-I353 HydrophobicContact CD1-CG1 4.3Å; L335-I353 HydrophobicContact CD1-CG2 3.99Å; L335-M355 HydrophobicContact CB-CG 4.38Å; L335-M355 HydrophobicContact CB-SD 4.14Å; L335-M355 HydrophobicContact CD1-SD 4.26Å
336R86.9Confident85.6Confident135 Ų13558.7 Ų58.751%0.50932%0.318SS..Hα-helixtrans-63.6-45.8178.4-173.7177.767.8-175-0.2111.5Q332 T333 I334 T339 Q340Q332-R336 WeakPolarHBondContact O-CB 3.43Å; Q332-R336 PolarHBondContact O-N 3.23Å; T333-R336 PolarHBondContact O-N 3.31Å; I334-R336 VanDerWaalsContact C-N 3.26Å; I334-R336 PolarHBondContact O-N 3.38Å; R336-T339 PolarHBondContact O-N 3.24Å; R336-Q340 WeakPolarHBondContact O-CB 3.49Å; R336-Q340 PolarHBondContact O-N 3.42Å
337E88.3Confident84.8Confident91 Ų9158.4 Ų58.443%0.42532%0.316SS..Hα-helixtrans-63.5-47.2179.4-172.2171.5171.500112V298 T333 I334 T339 Q340 A341V298-E337 HydrophobicContact CG1-CB 4.32Å; V298-E337 HydrophobicContact CG1-CG 4.02Å; T333-E337 PolarHBondContact O-N 3.15Å; T333-E337 VanDerWaalsContact O-N 3.09Å; I334-E337 PolarHBondContact O-N 3.05Å; I334-E337 VanDerWaalsContact O-N 3.14Å; E337-T339 PolarHBondContact O-N 3.08Å; E337-Q340 PolarHBondContact O-N 3.25Å; E337-A341 WeakPolarHBondContact O-CB 3.36Å; E337-A341 PolarHBondContact O-N 3.46Å
338M88.7Confident84.7Confident0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-61.9-43.9176.8-66.5178.685.900111.9L295 V298 V301 I323 I334 Q340 A341 C342 I353L295-M338 HydrophobicContact CB-CE 3.67Å; L295-M338 HydrophobicContact CD2-CB 4.06Å; L295-M338 HydrophobicContact CD2-CE 3.38Å; L295-M338 HydrophobicContact CD2-CG 4.37Å; L295-M338 HydrophobicContact CG-CE 4.04Å; V298-M338 HydrophobicContact CB-CG 4.13Å; V298-M338 HydrophobicContact CG1-CG 4.02Å; V298-M338 HydrophobicContact CG2-CG 3.94Å; V301-M338 HydrophobicContact CG2-CE 3.97Å; V301-M338 HydrophobicContact CG2-SD 3.79Å; I323-M338 HydrophobicContact CB-CE 4.21Å; I323-M338 HydrophobicContact CB-SD 4.4Å; I323-M338 HydrophobicContact CD1-CE 3.44Å; I323-M338 VanDerWaalsContact CD1-CE 3.44Å; I323-M338 HydrophobicContact CG1-CE 3.5Å; I323-M338 HydrophobicContact CG1-SD 4.06Å; I323-M338 HydrophobicContact CG2-CE 3.69Å; I323-M338 HydrophobicContact CG2-SD 3.78Å; I334-M338 HydrophobicContact CG2-CG 4.06Å; I334-M338 HydrophobicContact CG2-SD 3.63Å; I334-M338 VanDerWaalsContact O-CG 3.3Å; I334-M338 WeakPolarHBondContact O-CG 3.4Å; I334-M338 PolarHBondContact O-N 3.09Å; M338-Q340 VanDerWaalsContact C-N 3.32Å; M338-Q340 PolarHBondContact O-N 3.07Å; M338-A341 PolarHBondContact O-N 3.28Å; M338-C342 PolarHBondContact O-N 3.07Å; M338-I353 HydrophobicContact CB-CD1 4Å
339T87.6Confident84.5Confident21 Ų2152 Ų5213%0.12927%0.272CS..Hα-helixtrans-60.2-44.4177.4-60.50000110.6L335 R336 E337 C342 F343L335-T339 VanDerWaalsContact O-CB 3.22Å; L335-T339 WeakPolarHBondContact O-CB 3.36Å; L335-T339 PolarHBondContact O-N 3.42Å; L335-T339 PolarHBondContact O-OG1 2.96Å; R336-T339 PolarHBondContact O-N 3.24Å; E337-T339 PolarHBondContact O-N 3.08Å; T339-C342 PolarHBondContact O-N 3.12Å; T339-F343 HydrophobicContact CG2-CD2 3.65Å; T339-F343 HydrophobicContact CG2-CE2 3.5Å; T339-F343 WeakPolarHBondContact O-CD2 3.47Å; T339-F343 PolarHBondContact O-N 3.23Å
340Q83.9Confident84.5Confident110 Ų11051.9 Ų51.951%0.51427%0.272SS..Hα-helixtrans-66.7-39.7176.6-178.3172.2-14.700112.6R336 E337 M338 C342 F343 S344R336-Q340 WeakPolarHBondContact O-CB 3.49Å; R336-Q340 PolarHBondContact O-N 3.42Å; E337-Q340 PolarHBondContact O-N 3.25Å; M338-Q340 VanDerWaalsContact C-N 3.32Å; M338-Q340 PolarHBondContact O-N 3.07Å; Q340-C342 VanDerWaalsContact C-N 3.33Å; Q340-C342 PolarHBondContact O-N 3Å; Q340-F343 PolarHBondContact O-N 2.98Å; Q340-S344 VanDerWaalsContact O-CB 3.28Å; Q340-S344 WeakPolarHBondContact O-CB 3.29Å; Q340-S344 PolarHBondContact O-N 3.41Å; Q340-S344 PolarHBondContact O-OG 3.03Å
341A83.4Confident84.4Confident20 Ų2048.9 Ų48.917%0.16526%0.256CS..Hα-helixtrans-62-40.8176.200000111.7E337 M338 S344 S345E337-A341 WeakPolarHBondContact O-CB 3.36Å; E337-A341 PolarHBondContact O-N 3.46Å; M338-A341 PolarHBondContact O-N 3.28Å; A341-S344 WeakPolarHBondContact CA-OG 3.24Å; A341-S344 PolarHBondContact O-OG 3.5Å; A341-S345 WeakPolarHBondContact O-CB 3.23Å; A341-S345 PolarHBondContact O-N 3.08Å; A341-S345 PolarHBondContact O-OG 3.47Å
342C83.8Confident84.6Confident3 Ų351.1 Ų51.12%0.0227%0.267CS..Hα-helixtrans-67.4-49.6175.9-79.70000112.8M338 T339 Q340 S344 S345 Y346 F348 I351M338-C342 PolarHBondContact O-N 3.07Å; T339-C342 PolarHBondContact O-N 3.12Å; Q340-C342 VanDerWaalsContact C-N 3.33Å; Q340-C342 PolarHBondContact O-N 3Å; C342-S344 VanDerWaalsContact C-N 3.33Å; C342-S344 PolarHBondContact O-N 3.37Å; C342-S345 PolarHBondContact O-N 3.05Å; C342-Y346 PolarHBondContact O-N 2.85Å; C342-F348 HydrophobicContact CB-CD2 4.01Å; C342-F348 HydrophobicContact CB-CE2 4.12Å; C342-I351 HydrophobicContact CB-CD1 3.41Å; C342-I351 VanDerWaalsContact CB-CD1 3.41Å
343F81Confident84.8Confident45 Ų4545 Ų4520%0.19724%0.239CC..Hα-helixtrans-68.4-30.1-179-79.2-59.8000113.7T339 Q340 Y346 F348 I351T339-F343 HydrophobicContact CG2-CD2 3.65Å; T339-F343 HydrophobicContact CG2-CE2 3.5Å; T339-F343 WeakPolarHBondContact O-CD2 3.47Å; T339-F343 PolarHBondContact O-N 3.23Å; Q340-F343 PolarHBondContact O-N 2.98Å; F343-Y346 VanDerWaalsContact O-O 3.14Å; F343-F348 HydrophobicContact CE1-CB 4.27Å; F343-F348 WeakPolarHBondContact CE1-O 3.48Å; F343-I351 HydrophobicContact CD1-CD1 4.13Å; F343-I351 HydrophobicContact CD2-CD1 3.88Å; F343-I351 HydrophobicContact CE1-CD1 3.96Å; F343-I351 HydrophobicContact CE1-CG1 4.25Å; F343-I351 HydrophobicContact CE2-CD1 3.71Å; F343-I351 HydrophobicContact CE2-CG1 4.29Å; F343-I351 HydrophobicContact CG-CD1 4.08Å; F343-I351 HydrophobicContact CZ-CD1 3.75Å; F343-I351 HydrophobicContact CZ-CG1 3.94Å
344S77.2Confident85.1Confident72 Ų7246.6 Ų46.650%0.50324%0.242SC..Hα-helixtrans-70.3-38.7175.9550000111.9R210 Q340 A341 C342R210-S344 PolarHBondContact NH2-O 3.46Å; Q340-S344 VanDerWaalsContact O-CB 3.28Å; Q340-S344 WeakPolarHBondContact O-CB 3.29Å; Q340-S344 PolarHBondContact O-N 3.41Å; Q340-S344 PolarHBondContact O-OG 3.03Å; A341-S344 WeakPolarHBondContact CA-OG 3.24Å; A341-S344 PolarHBondContact O-OG 3.5Å; C342-S344 VanDerWaalsContact C-N 3.33Å; C342-S344 PolarHBondContact O-N 3.37Å
345S74.9Confident85.2Confident42 Ų4248.5 Ų48.529%0.29425%0.251SS..Hα-helixtrans-87.3-37-174-48.30000112.6R294 A341 C342R294-S345 PolarHBondContact NE-OG 2.94Å; A341-S345 WeakPolarHBondContact O-CB 3.23Å; A341-S345 PolarHBondContact O-N 3.08Å; A341-S345 PolarHBondContact O-OG 3.47Å; C342-S345 PolarHBondContact O-N 3.05Å
346Y75.9Confident85.2Confident20 Ų2047.5 Ų47.58%0.07825%0.245CC..SBendtrans-128.9160.7-171.6-53.8-77.7000112.2V286 E290 V291 C342 F343 F348V286-Y346 HydrophobicContact CG1-CD1 4.24Å; V286-Y346 HydrophobicContact CG1-CE1 4.32Å; V286-Y346 HydrophobicContact CG2-CD1 4.14Å; E290-Y346 WeakPolarHBondContact CG-OH 3.31Å; V291-Y346 HydrophobicContact CG2-CD2 4.23Å; V291-Y346 HydrophobicContact CG2-CE1 4.2Å; V291-Y346 HydrophobicContact CG2-CE2 3.7Å; C342-Y346 PolarHBondContact O-N 2.85Å; F343-Y346 VanDerWaalsContact O-O 3.14Å; Y346-F348 VanDerWaalsContact C-N 3.35Å; Y346-F348 VanDerWaalsContact CB-CE2 3.47Å; Y346-F348 AromaticContact CD2-CE2 3.71Å; Y346-F348 HydrophobicContact CD2-CE2 3.71Å; Y346-F348 HydrophobicContact CD2-CZ 4.38Å; Y346-F348 HydrophobicContact CG-CD2 4.49Å; Y346-F348 AromaticContact CG-CE2 3.82Å; Y346-F348 HydrophobicContact CG-CE2 3.82Å; Y346-F348 HydrophobicContact CG-CZ 4.31Å; Y346-F348 PolarHBondContact O-N 3.41Å
347N72.9Confident85.3Confident34 Ų3445.6 Ų45.618%0.18224%0.238CC..  trans-95.454.5178.7-162.122.7000112.3
348F82.5Confident84.9Confident0 Ų045.7 Ų45.70%024%0.238CC..EExtended strand (participates in β ladder)trans-64.4137.5175.9-69.8-65.8000110.8N44 V286 V291 I309 A317 L319 C342 F343 Y346 I351N44-F348 PolarHBondContact ND2-O 2.91Å; V286-F348 HydrophobicContact CG1-CZ 4.14Å; V291-F348 HydrophobicContact CG2-CZ 4.24Å; I309-F348 HydrophobicContact CG2-CE1 4.05Å; A317-F348 HydrophobicContact CB-CD1 3.63Å; A317-F348 HydrophobicContact CB-CE1 3.86Å; A317-F348 CarbonylContact O-C 3.56Å; A317-F348 WeakPolarHBondContact O-CA 3.47Å; L319-F348 HydrophobicContact CB-CD1 3.98Å; L319-F348 HydrophobicContact CB-CE1 3.81Å; L319-F348 HydrophobicContact CB-CZ 4.19Å; L319-F348 HydrophobicContact CD1-CE1 4.1Å; L319-F348 HydrophobicContact CD1-CE2 3.99Å; L319-F348 HydrophobicContact CD1-CZ 3.62Å; C342-F348 HydrophobicContact CB-CD2 4.01Å; C342-F348 HydrophobicContact CB-CE2 4.12Å; F343-F348 HydrophobicContact CE1-CB 4.27Å; F343-F348 WeakPolarHBondContact CE1-O 3.48Å; Y346-F348 VanDerWaalsContact C-N 3.35Å; Y346-F348 VanDerWaalsContact CB-CE2 3.47Å; Y346-F348 AromaticContact CD2-CE2 3.71Å; Y346-F348 HydrophobicContact CD2-CE2 3.71Å; Y346-F348 HydrophobicContact CD2-CZ 4.38Å; Y346-F348 HydrophobicContact CG-CD2 4.49Å; Y346-F348 AromaticContact CG-CE2 3.82Å; Y346-F348 HydrophobicContact CG-CE2 3.82Å; Y346-F348 HydrophobicContact CG-CZ 4.31Å; Y346-F348 PolarHBondContact O-N 3.41Å; F348-I351 HydrophobicContact CB-CD1 3.95Å; F348-I351 HydrophobicContact CB-CG1 3.67Å; F348-I351 HydrophobicContact CD2-CD1 3.92Å; F348-I351 HydrophobicContact CD2-CG1 4.23Å; F348-I351 HydrophobicContact CG-CD1 4.19Å; F348-I351 HydrophobicContact CG-CG1 4.03Å
349H81.4Confident84.4Confident61 Ų6149.6 Ų49.628%0.28227%0.27SS..EExtended strand (participates in β ladder)trans-77.5-46169.5-177.8-7.5000110.6Y125 Q316 A317 V318Y125-H349 AromaticContact CE2-NE2 3.63Å; Q316-H349 HydrophobicContact CB-CB 4.2Å; Q316-H349 HydrophobicContact CG-CB 4.5Å; Q316-H349 PolarHBondContact NE2-CD2 3.38Å; Q316-H349 VanDerWaalsContact NE2-CD2 3.29Å; A317-H349 WeakPolarHBondContact O-CB 3.24Å; A317-H349 PolarHBondContact O-N 3.22Å; V318-H349 HydrophobicContact CG2-CB 4.44Å
350S86Confident83.9Confident39 Ų3953.6 Ų53.627%0.27329%0.291SS..EExtended strand (participates in β ladder)trans-143.8147.8179-169.10000109.4V318 L319V318-S350 WeakPolarHBondContact CA-O 3.44Å; L319-S350 PolarHBondContact N-O 3.35Å
351I89.6Confident83.7Confident27 Ų2751.4 Ų51.414%0.13828%0.282CS..EExtended strand (participates in β ladder)trans-134.4124.8178.9-55.3179.5000106.5L319 C342 F343 F348 I353L319-I351 HydrophobicContact CB-CG2 4.44Å; L319-I351 HydrophobicContact CD2-CG2 3.89Å; L319-I351 WeakPolarHBondContact O-CA 3.33Å; C342-I351 HydrophobicContact CB-CD1 3.41Å; C342-I351 VanDerWaalsContact CB-CD1 3.41Å; F343-I351 HydrophobicContact CD1-CD1 4.13Å; F343-I351 HydrophobicContact CD2-CD1 3.88Å; F343-I351 HydrophobicContact CE1-CD1 3.96Å; F343-I351 HydrophobicContact CE1-CG1 4.25Å; F343-I351 HydrophobicContact CE2-CD1 3.71Å; F343-I351 HydrophobicContact CE2-CG1 4.29Å; F343-I351 HydrophobicContact CG-CD1 4.08Å; F343-I351 HydrophobicContact CZ-CD1 3.75Å; F343-I351 HydrophobicContact CZ-CG1 3.94Å; F348-I351 HydrophobicContact CB-CD1 3.95Å; F348-I351 HydrophobicContact CB-CG1 3.67Å; F348-I351 HydrophobicContact CD2-CD1 3.92Å; F348-I351 HydrophobicContact CD2-CG1 4.23Å; F348-I351 HydrophobicContact CG-CD1 4.19Å; F348-I351 HydrophobicContact CG-CG1 4.03Å; I351-I353 HydrophobicContact CG2-CD1 3.89Å; I351-I353 HydrophobicContact CG2-CG1 3.72Å
352T92.6Very high83.4Confident76 Ų7658.2 Ų58.247%0.46631%0.308SS..EExtended strand (participates in β ladder)trans-118.4123.9170.8-53.90000107.8L319 S320 A321L319-T352 PolarHBondContact O-N 3.38Å; S320-T352 CarbonylContact C-O 3.59Å; S320-T352 VanDerWaalsContact CA-O 3.26Å; S320-T352 WeakPolarHBondContact CA-O 3.48Å; A321-T352 PolarHBondContact N-O 3.01Å
353I94.1Very high83.1Confident21 Ų2164 Ų6411%0.10835%0.346CS..EExtended strand (participates in β ladder)trans-125117.1179.3-58.2-178.6000107.1A321 I323 L335 M338 I351 M355A321-I353 WeakPolarHBondContact O-CA 3.32Å; I323-I353 HydrophobicContact CB-CG2 4.22Å; I323-I353 HydrophobicContact CD1-CG2 4.44Å; I323-I353 HydrophobicContact CG1-CG2 3.34Å; L335-I353 HydrophobicContact CD1-CB 3.58Å; L335-I353 HydrophobicContact CD1-CD1 4.19Å; L335-I353 HydrophobicContact CD1-CG1 4.3Å; L335-I353 HydrophobicContact CD1-CG2 3.99Å; M338-I353 HydrophobicContact CB-CD1 4Å; I351-I353 HydrophobicContact CG2-CD1 3.89Å; I351-I353 HydrophobicContact CG2-CG1 3.72Å; I353-M355 HydrophobicContact CG2-SD 3.78Å
354Q94.3Very high82.9Confident98 Ų9865.2 Ų65.246%0.45837%0.371SS..EExtended strand (participates in β ladder)trans-87122.5171.3-179.8167-45.900108.5A321 H322 I323 E356A321-Q354 PolarHBondContact O-N 2.87Å; H322-Q354 WeakPolarHBondContact CA-O 3.44Å; H322-Q354 VanDerWaalsContact CE1-CD 3.5Å; H322-Q354 PolarHBondContact CE1-NE2 3.04Å; H322-Q354 PolarHBondContact ND1-NE2 2.87Å; I323-Q354 PolarHBondContact N-O 3.4Å; Q354-E356 HydrophobicContact CG-CG 4.24Å; Q354-E356 PolarHBondContact NE2-OE1 3.45Å
355M93.1Very high83Confident48 Ų4863.7 Ų63.724%0.23636%0.36CS..EExtended strand (participates in β ladder)trans-91.5128.5177.1-57.3-57.9-65.100109.2I323 I325 A331 I334 L335 I353I323-M355 HydrophobicContact CB-SD 4.23Å; I323-M355 HydrophobicContact CG2-CE 4.45Å; I325-M355 HydrophobicContact CB-CE 4.49Å; I325-M355 HydrophobicContact CD1-CE 3.98Å; I325-M355 HydrophobicContact CG1-CE 4.36Å; I325-M355 HydrophobicContact CG2-CE 3.4Å; I325-M355 VanDerWaalsContact CG2-CE 3.4Å; A331-M355 HydrophobicContact CB-CB 4.29Å; A331-M355 HydrophobicContact CB-CE 4.39Å; A331-M355 HydrophobicContact CB-CG 4.39Å; I334-M355 HydrophobicContact CB-CE 4.15Å; I334-M355 HydrophobicContact CG2-CE 3.97Å; L335-M355 HydrophobicContact CB-CG 4.38Å; L335-M355 HydrophobicContact CB-SD 4.14Å; L335-M355 HydrophobicContact CD1-SD 4.26Å; I353-M355 HydrophobicContact CG2-SD 3.78Å
356E91.7Very high83.3Confident35 Ų3566.8 Ų66.816%0.16438%0.377CS..EExtended strand (participates in β ladder)trans-126.5154.9179.2-63.8-176.2-176.600110.1H305 H322 I323 A324 I325 Q354H305-E356 IonicContact CE1-OE2 3.1Å; H305-E356 PolarHBondContact CE1-OE2 3.14Å; H305-E356 IonicContact NE2-OE2 3.39Å; H305-E356 PolarHBondContact NE2-OE2 3.18Å; H322-E356 IonicContact CE1-OE1 3.53Å; H322-E356 IonicContact CG-OE1 2.83Å; H322-E356 IonicContact ND1-OE1 3.57Å; H322-E356 PolarHBondContact ND1-OE1 2.74Å; I323-E356 PolarHBondContact O-N 2.93Å; A324-E356 WeakPolarHBondContact CA-O 3.15Å; I325-E356 WeakPolarHBondContact CG1-O 3.33Å; I325-E356 PolarHBondContact N-O 3.25Å; Q354-E356 HydrophobicContact CG-CG 4.24Å; Q354-E356 PolarHBondContact NE2-OE1 3.45Å
357R87.8Confident83.6Confident95 Ų9572.8 Ų72.836%0.35841%0.41SS..EExtended strand (participates in β ladder)trans-85.3152.1172.5-66.6-58.7-166.2174.22.3109.8D326 D327 V329 A359 D360D326-R357 PolarHBondContact O-NH1 3.41Å; D327-R357 PolarHBondContact O-NH1 3.47Å; D327-R357 WeakPolarHBondContact OD1-CB 3.31Å; D327-R357 WeakPolarHBondContact OD1-CD 3.48Å; V329-R357 PolarHBondContact O-NH1 3.13Å; V329-R357 VanDerWaalsContact O-NH1 3.14Å; R357-A359 PolarHBondContact O-N 3.48Å; R357-A359 VanDerWaalsContact O-N 3.15Å; R357-D360 WeakPolarHBondContact CB-OD2 3.24Å; R357-D360 PolarHBondContact N-OD2 3.28Å; R357-D360 WeakPolarHBondContact O-CB 3.36Å; R357-D360 PolarHBondContact O-N 2.98Å
358Q81.6Confident83.9Confident92 Ų9273.2 Ų73.243%0.4342%0.415SS..G310 helixtrans-56.9-32.7177.4-174176.6-1.300112.2I325 D360 L361I325-Q358 PolarHBondContact O-N 2.84Å; Q358-D360 PolarHBondContact O-N 3.34Å; Q358-L361 HydrophobicContact CG-CD1 4.18Å; Q358-L361 WeakPolarHBondContact O-CB 3.2Å; Q358-L361 PolarHBondContact O-N 3.49Å
359A77.8Confident83.8Confident82 Ų8279.4 Ų79.468%0.67844%0.444SS*.G310 helixtrans-62.5-23.5176.800000114R357 L361R357-A359 PolarHBondContact O-N 3.48Å; R357-A359 VanDerWaalsContact O-N 3.15Å; A359-L361 VanDerWaalsContact C-N 3.32Å
360D76.8Confident83.7Confident106 Ų10680.1 Ų80.157%0.56745%0.449SS*.G310 helixtrans-84.2-9.3-177.4-57.4-41000112.6R357 Q358 K362R357-D360 WeakPolarHBondContact CB-OD2 3.24Å; R357-D360 PolarHBondContact N-OD2 3.28Å; R357-D360 WeakPolarHBondContact O-CB 3.36Å; R357-D360 PolarHBondContact O-N 2.98Å; Q358-D360 PolarHBondContact O-N 3.34Å; D360-K362 PolarHBondContact O-N 3.08Å; D360-K362 VanDerWaalsContact O-N 3.13Å
361L79.2Confident83.5Confident63 Ų6381.9 Ų81.933%0.3346%0.46SS..  trans-68.9109.5177.7-75.5163.8000110.9A303 A324 Q358 A359 P363A303-L361 HydrophobicContact CB-CD1 4.28Å; A303-L361 HydrophobicContact CB-CD2 4.49Å; A324-L361 HydrophobicContact CB-CD1 3.56Å; A324-L361 HydrophobicContact CB-CD2 4.06Å; A324-L361 HydrophobicContact CB-CG 3.86Å; Q358-L361 HydrophobicContact CG-CD1 4.18Å; Q358-L361 WeakPolarHBondContact O-CB 3.2Å; Q358-L361 PolarHBondContact O-N 3.49Å; A359-L361 VanDerWaalsContact C-N 3.32Å; L361-P363 WeakPolarHBondContact O-CD 3.46Å
362K77.9Confident82.9Confident164 Ų16489.8 Ų89.871%0.71350%0.496SS*.  trans-78.3116.9172.1-169.5176.6-178.5-179.30110.6D360 G364 C365D360-K362 PolarHBondContact O-N 3.08Å; D360-K362 VanDerWaalsContact O-N 3.13Å; K362-G364 PolarHBondContact O-N 3.34Å; K362-C365 HydrophobicContact CB-CB 4.48Å; K362-C365 PolarHBondContact O-N 2.92Å
363P76.9Confident81.3Confident125 Ų12597 Ų9781%0.81253%0.532SS*.THydrogen-bonded Turntrans-63.4133.4176.624.3-31.2000110.6L361L361-P363 WeakPolarHBondContact O-CD 3.46Å
364G76.4Confident80.7Confident70 Ų70100.8 Ų100.872%0.72255%0.554SS**THydrogen-bonded Turntrans7523.1178.500000115.2K362 T366K362-G364 PolarHBondContact O-N 3.34Å; G364-T366 PolarHBondContact O-N 3.5Å; G364-T366 VanDerWaalsContact O-N 3.15Å
365C80.6Confident80Confident40 Ų40100.9 Ų100.927%0.2756%0.559SS.*  trans-69.3106.7171.9-173.90000110.8K362 L367 C368 E369K362-C365 HydrophobicContact CB-CB 4.48Å; K362-C365 PolarHBondContact O-N 2.92Å; C365-L367 PolarHBondContact O-N 3.45Å; C365-C368 HydrophobicContact CB-CB 4.06Å; C365-C368 PolarHBondContact O-N 2.89Å; C365-C368 VanDerWaalsContact SG-SG 3.65Å; C365-E369 PolarHBondContact O-N 2.96Å
366T81.2Confident79.3Confident106 Ų106103.9 Ų103.965%0.6558%0.576SS**G310 helixtrans-63.5-26-179.9540000113.6G364 C368G364-T366 PolarHBondContact O-N 3.5Å; G364-T366 VanDerWaalsContact O-N 3.15Å; T366-C368 VanDerWaalsContact C-N 3.27Å; T366-C368 PolarHBondContact O-N 3.41Å
367L81.5Confident78.5Confident147 Ų147107.9 Ų107.977%0.7760%0.601SS**G310 helixtrans-74.3-18.7175.9-63.3174.5000113C365C365-L367 PolarHBondContact O-N 3.45Å
368C78.4Confident77.9Confident42 Ų42108.8 Ų108.828%0.28462%0.616SS.*G310 helixtrans-103.50.9-179.6-66.30000112.5H305 C365 T366H305-C368 HydrophobicContact CB-CB 4.04Å; C365-C368 HydrophobicContact CB-CB 4.06Å; C365-C368 PolarHBondContact O-N 2.89Å; C365-C368 VanDerWaalsContact SG-SG 3.65Å; T366-C368 VanDerWaalsContact C-N 3.27Å; T366-C368 PolarHBondContact O-N 3.41Å
369E80.2Confident77.7Confident131 Ų131109.9 Ų109.961%0.61263%0.628SS**SBendtrans-65146.3176.5-77.1-178.5-177.800111C365C365-E369 PolarHBondContact O-N 2.96Å
370N80.4Confident77.7Confident75 Ų75111.9 Ų111.940%0.40163%0.625SS.*PPolyproline II helixtrans-66.6140.8177.4-62.9-65.1000109.5R292R292-N370 PolarHBondContact NE-OD1 3.01Å
371P82.1Confident77.8Confident77 Ų77112.3 Ų112.350%0.563%0.629SS.*PPolyproline II helixtrans-58.9144.9172.623.9-30.8000110.7Y288Y288-P371 HydrophobicContact CD1-CG 4.45Å; Y288-P371 HydrophobicContact CD2-CG 4.49Å; Y288-P371 HydrophobicContact CE1-CG 3.88Å; Y288-P371 HydrophobicContact CE2-CG 3.89Å; Y288-P371 WeakPolarHBondContact OH-CD 3.25Å
372Q75.8Confident77.6Confident192 Ų192116.4 Ų116.490%0.89765%0.654SS**PPolyproline II helixtrans-72.1143.1175.5-63.1-179.80.500109.9
373N60.3Low77.6Confident228 Ų228112.1 Ų112.1100%1.21965%0.649SS**  trans-710-179.9-86.8-14.3000113.4

Retrieved 373 of 373 residues in 692 ms (Link to these results)