A0A077Z9I0_TRITR Loading...

EGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9I0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 258 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
1M43.5Very low59.4Low240 Ų240129.8 Ų129.8100%1.18271%0.706SS**  0480-68.1-159.2140.700112.8
2L50.3Low59.9Low179 Ų179128.3 Ų128.394%0.93770%0.695SS**  trans-127.821.2179.3-69.3173.6000113.6
3A54.4Low59.5Low87 Ų87125.9 Ų125.972%0.71969%0.692SS**SBendtrans-102.3-2-179.500000114.5
4Q54.9Low59.5Low169 Ų169124.1 Ų124.179%0.7969%0.693SS**SBendtrans-91.6-17.5-179.2-72.5179.3-2600113.9
5G55.7Low59.1Low52 Ų52126.5 Ų126.554%0.53670%0.702SS.*Hα-helixtrans-75.4-30.8-178.700000114.8A9G5-A9 PolarHBondContact O-N 3.5Å
6F65.2Low58.8Low169 Ų169124.3 Ų124.374%0.74170%0.699SS**Hα-helixtrans-75.7-28.5-172.3-131.6-94.8000113.3L10F6-L10 PolarHBondContact O-N 3.3Å
7H66.6Low58.5Low139 Ų139123.8 Ų123.864%0.64470%0.699SS**Hα-helixtrans-75.3-33.4176.4-95.8-76.9000112.9L10 L11H7-L10 PolarHBondContact O-N 3Å; H7-L11 PolarHBondContact O-N 2.91Å
8I71.6Confident58.2Low106 Ų106127 Ų12754%0.54471%0.707SS.*Hα-helixtrans-69.1-40.8176.2-62.4172.4000109.9L10 L11 I12I8-L10 VanDerWaalsContact C-N 3.29Å; I8-L10 PolarHBondContact O-N 3.12Å; I8-L11 PolarHBondContact O-N 3.15Å; I8-I12 HydrophobicContact CG2-CD1 3.73Å; I8-I12 HydrophobicContact CG2-CG1 4.37Å; I8-I12 WeakPolarHBondContact O-CD1 2.97Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.42Å; I8-I12 PolarHBondContact O-N 3.08Å; I8-I12 VanDerWaalsContact O-N 3.13Å
9A65.4Low57.6Low56 Ų56126.8 Ų126.846%0.46371%0.709SS.*Hα-helixtrans-60.9-35.2176.300000113.3G5 C13G5-A9 PolarHBondContact O-N 3.5Å; A9-C13 PolarHBondContact O-N 2.82Å
10L63.4Low57.1Low105 Ų105126.4 Ų126.455%0.5571%0.71SS.*Hα-helixtrans-74.4-33.5177.7-77.3169.7000113.2F6 H7 I8 C13 S14F6-L10 PolarHBondContact O-N 3.3Å; H7-L10 PolarHBondContact O-N 3Å; I8-L10 VanDerWaalsContact C-N 3.29Å; I8-L10 PolarHBondContact O-N 3.12Å; L10-C13 PolarHBondContact O-N 2.82Å; L10-S14 PolarHBondContact O-OG 3.3Å
11L62.5Low56.3Low126 Ų126129.2 Ų129.266%0.6671%0.714SS**Hα-helixtrans-72.1-35.8176.9-74.1170.1000112.4H7 I8 C13H7-L11 PolarHBondContact O-N 2.91Å; I8-L11 PolarHBondContact O-N 3.15Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 3.31Å
12I65.2Low56.2Low111 Ų111121.2 Ų121.257%0.56969%0.694SS**Hα-helixtrans-69.2-33.2177.2-55.5160.4000110.5I8 S14 L15I8-I12 HydrophobicContact CG2-CD1 3.73Å; I8-I12 HydrophobicContact CG2-CG1 4.37Å; I8-I12 WeakPolarHBondContact O-CD1 2.97Å; I8-I12 VanDerWaalsContact O-CG1 3.25Å; I8-I12 WeakPolarHBondContact O-CG1 3.42Å; I8-I12 PolarHBondContact O-N 3.08Å; I8-I12 VanDerWaalsContact O-N 3.13Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.38Å; I12-L15 PolarHBondContact O-N 3.37Å
13C55.3Low55.9Low98 Ų98120.8 Ų120.866%0.66269%0.687SS**Hα-helixtrans-73.1-16.2-176.7-144.50000114.1A9 L10 L11A9-C13 PolarHBondContact O-N 2.82Å; L10-C13 PolarHBondContact O-N 2.82Å; L11-C13 VanDerWaalsContact C-N 3.3Å; L11-C13 PolarHBondContact O-N 3.31Å
14S59.6Low55.5Low101 Ų101125.4 Ų125.471%0.70669%0.694SS**THydrogen-bonded Turntrans-89.7-11.2178.8-57.60000114.5L10 I12L10-S14 PolarHBondContact O-OG 3.3Å; I12-S14 VanDerWaalsContact C-N 3.27Å; I12-S14 PolarHBondContact O-N 3.38Å
15L53.2Low55.1Low159 Ų159121.4 Ų121.483%0.83270%0.698SS**SBendtrans-101.55.3-174.1-71.7176.8000115.2I12I12-L15 PolarHBondContact O-N 3.37Å
16S54.6Low55.1Low92 Ų92124.4 Ų124.464%0.64371%0.705SS**SBendtrans-140.135.1-173.260.30000116.1
17V53.2Low54.4Low115 Ų115125.8 Ų125.870%0.69772%0.716SS**  trans-137.474.2163-164.20000110.4V19V17-V19 HydrophobicContact CG1-CG2 3.7Å; V17-V19 PolarHBondContact O-N 3.03Å; V17-V19 VanDerWaalsContact O-N 3.13Å
18E54Low53.8Low182 Ų182122 Ų12285%0.8571%0.705SS**  trans-68.1100.6152.4-69.5-177.9169.500107V20E18-V20 HydrophobicContact CB-CG2 4.5Å; E18-V20 PolarHBondContact O-N 3.44Å
19V45.6Very low53.2Low124 Ų124120.9 Ų120.975%0.75271%0.711SS**  trans-70.989.8165.2179.90000106.5V17 K21V17-V19 HydrophobicContact CG1-CG2 3.7Å; V17-V19 PolarHBondContact O-N 3.03Å; V17-V19 VanDerWaalsContact O-N 3.13Å; V19-K21 PolarHBondContact O-N 3.31Å
20V48.6Very low52.9Low118 Ų118128.8 Ų128.872%0.71574%0.735SS**  trans-66.4112.3168.3-177.20000107.1E18 G22E18-V20 HydrophobicContact CB-CG2 4.5Å; E18-V20 PolarHBondContact O-N 3.44Å; V20-G22 PolarHBondContact O-N 3.11Å
21K39.8Very low52.7Low185 Ų185128 Ų12880%0.80475%0.752SS**  trans-64.7101.8164.6-115.2178.4176.7-178.40106.8V19 E23V19-K21 PolarHBondContact O-N 3.31Å; K21-E23 PolarHBondContact O-N 3.01Å; K21-E23 VanDerWaalsContact O-N 3.13Å
22G40.8Very low52.6Low73 Ų73124.6 Ų124.675%0.75374%0.739SS**  trans-70.4100.7166.200000108.8V20V20-G22 PolarHBondContact O-N 3.11Å
23E43.6Very low52.4Low169 Ų169123.4 Ų123.479%0.7973%0.734SS**  trans-83130.1159.5-78.2-178.7148.400107.9K21K21-E23 PolarHBondContact O-N 3.01Å; K21-E23 VanDerWaalsContact O-N 3.13Å
24Q47.4Very low52.6Low185 Ų185126.1 Ų126.186%0.86474%0.737SS**SBendtrans72.677.9172.9-55.9172.4-0.800114.7V26Q24-V26 PolarHBondContact O-N 3.31Å
25G46.5Very low52.4Low85 Ų85130.4 Ų130.488%0.87674%0.738SS**  trans-64.2101167.900000112
26V55.6Low52.4Low114 Ų114127 Ų12769%0.69172%0.721SS**  trans-120.3112.8150.7-89.80000107.2Q24Q24-V26 PolarHBondContact O-N 3.31Å
27M50.6Low52.6Low199 Ų199123.9 Ų123.998%0.9870%0.699SS**PPolyproline II helixtrans-78.2122.9170.7-70.8-14516700108.6
28C54.4Low52.8Low60 Ų60121.9 Ų121.941%0.40569%0.694SS.*PPolyproline II helixtrans-95.8140.2171.6-82.80000111.4C37C28-C37 HydrophobicContact CB-CB 4.21Å; C28-C37 WeakPolarHBondContact CB-SG 3.31Å; C28-C37 VanDerWaalsContact SG-CA 3.57Å; C28-C37 WeakPolarHBondContact SG-CB 3.18Å; C28-C37 CovalentContact SG-SG 2.01Å; C28-C37 PolarHBondContact SG-SG 3.49Å
29A57.3Low52.9Low81 Ų81116.1 Ų116.167%0.66968%0.684SS**PPolyproline II helixtrans-69.7134.1172.200000109.8G31 S32A29-G31 PolarHBondContact O-N 3.33Å; A29-G31 VanDerWaalsContact O-N 3.13Å; A29-S32 PolarHBondContact O-OG 2.95Å
30F59.2Low53.2Low222 Ų222116.6 Ų116.697%0.97468%0.675SS**THydrogen-bonded Turntrans-55.2115.8175.4-68.8-86.9000110.4
31G60.4Low53.5Low88 Ų88120.1 Ų120.191%0.90768%0.684SS**THydrogen-bonded Turntrans117.32.7172.900000116.9A29A29-G31 PolarHBondContact O-N 3.33Å; A29-G31 VanDerWaalsContact O-N 3.13Å
32S59.9Low54.4Low55 Ų55118.1 Ų118.139%0.38568%0.676SS.*SBendtrans-91137.216651.50000111.2A29A29-S32 PolarHBondContact O-OG 2.95Å
33D60.2Low55.2Low87 Ų87126.9 Ų126.947%0.46569%0.686SS.*  trans-53137.3174.8-165.9-12.4000109.9R35 D36D33-R35 PolarHBondContact O-N 3.49Å; D33-R35 IonicContact OD1-NE 2.82Å; D33-R35 IonicContact OD2-CZ 3.36Å; D33-R35 IonicContact OD2-NE 3.41Å; D33-R35 IonicContact OD2-NH2 3.87Å; D33-R35 PolarHBondContact OD2-NH2 2.86Å; D33-D36 PolarHBondContact O-N 2.82Å
34E59.8Low56.2Low155 Ų155121.1 Ų121.172%0.72467%0.671SS**Hα-helixtrans-51.2-27-173.9-169.471.6-159.700112.5D36 C37 A38E34-D36 VanDerWaalsContact C-N 3.31Å; E34-D36 PolarHBondContact O-N 3.34Å; E34-C37 PolarHBondContact O-N 3.3Å; E34-A38 PolarHBondContact O-N 2.92Å
35R55.6Low57.8Low191 Ų191118.3 Ų118.372%0.72166%0.661SS**Hα-helixtrans-69.7-18.9177.1-69179.4-70.4172.90.5114.9D33D33-R35 PolarHBondContact O-N 3.49Å; D33-R35 IonicContact OD1-NE 2.82Å; D33-R35 IonicContact OD2-CZ 3.36Å; D33-R35 IonicContact OD2-NE 3.41Å; D33-R35 IonicContact OD2-NH2 3.87Å; D33-R35 PolarHBondContact OD2-NH2 2.86Å
36D54.2Low59.8Low88 Ų88117.4 Ų117.447%0.47164%0.636SS.*Hα-helixtrans-90.8-11.5172.3-77.8-50.2000112.5D33 E34 K40D33-D36 PolarHBondContact O-N 2.82Å; E34-D36 VanDerWaalsContact C-N 3.31Å; E34-D36 PolarHBondContact O-N 3.34Å; D36-K40 WeakPolarHBondContact OD1-CE 3.43Å; D36-K40 IonicContact OD1-NZ 2.7Å; D36-K40 PolarHBondContact OD1-NZ 3.46Å
37C58.3Low61.4Low26 Ų26113.8 Ų113.818%0.17661%0.612CS.*Hα-helixtrans-95.6-26.5-179.9-85.70000114.6C28 E34 G39C28-C37 HydrophobicContact CB-CB 4.21Å; C28-C37 WeakPolarHBondContact CB-SG 3.31Å; C28-C37 VanDerWaalsContact SG-CA 3.57Å; C28-C37 WeakPolarHBondContact SG-CB 3.18Å; C28-C37 CovalentContact SG-SG 2.01Å; C28-C37 PolarHBondContact SG-SG 3.49Å; E34-C37 PolarHBondContact O-N 3.3Å; C37-G39 PolarHBondContact O-N 3.38Å
38A56.8Low63.5Low72 Ų72105.4 Ų105.460%0.59557%0.573SS**SBendtrans-60.993.9156.500000105.7E34 K40E34-A38 PolarHBondContact O-N 2.92Å; A38-K40 PolarHBondContact O-N 3.4Å
39G55.6Low65.4Low62 Ų62110.2 Ų110.264%0.63959%0.589SS**  trans-38.8113.7-173.100000107.8C37 E41C37-G39 PolarHBondContact O-N 3.38Å; G39-E41 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 2.92Å
40K52Low67.1Low133 Ų133110.7 Ų110.758%0.57859%0.587SS**  trans-48.6105.1-171.4-74-172.3-178.3-179.70106.9D36 A38 K42D36-K40 WeakPolarHBondContact OD1-CE 3.43Å; D36-K40 IonicContact OD1-NZ 2.7Å; D36-K40 PolarHBondContact OD1-NZ 3.46Å; A38-K40 PolarHBondContact O-N 3.4Å; K40-K42 HydrophobicContact CB-CG 4.4Å; K40-K42 PolarHBondContact O-N 3.4Å
41E56.7Low68.8Low192 Ų192104.7 Ų104.790%0.89757%0.573SS**  trans-68.771.9156.1-166.7137.5-179.100103.3G39 R43G39-E41 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 2.92Å; E41-R43 PolarHBondContact O-N 3.12Å; E41-R43 VanDerWaalsContact O-N 3.13Å
42K57.1Low70.5Confident144 Ų144101.3 Ų101.363%0.62654%0.535SS*.  trans-48.5128162.4-94-171.4174.1-175.90102.9K40 G44K40-K42 HydrophobicContact CB-CG 4.4Å; K40-K42 PolarHBondContact O-N 3.4Å; K42-G44 VanDerWaalsContact O-CA 3.24Å; K42-G44 WeakPolarHBondContact O-CA 3.09Å; K42-G44 PolarHBondContact O-N 3.05Å
43R57.2Low72.3Confident257 Ų25799.7 Ų99.797%0.9752%0.524SS*.  trans-46.481.3174.8-131.8-176.9-75.2-166.4-4.2107.9E41E41-R43 PolarHBondContact O-N 3.12Å; E41-R43 VanDerWaalsContact O-N 3.13Å
44G66Low74Confident47 Ų47103.3 Ų103.349%0.48553%0.531SS..  trans-84.4127.5-163.100000104.9K42 N46K42-G44 VanDerWaalsContact O-CA 3.24Å; K42-G44 WeakPolarHBondContact O-CA 3.09Å; K42-G44 PolarHBondContact O-N 3.05Å; G44-N46 PolarHBondContact O-N 3.04Å
45I81.3Confident75.6Confident126 Ų12699 Ų9965%0.64651%0.513SS*.  trans-58.5117.9163.4-65.5167000103.9E47I45-E47 VanDerWaalsContact C-N 3.29Å; I45-E47 PolarHBondContact O-N 3.34Å
46N87.2Confident77.4Confident67 Ų6792.7 Ų92.736%0.35851%0.507SS..  trans-71.195.4174.6174.8-24.8000106.7G44 C48 Q49 D61G44-N46 PolarHBondContact O-N 3.04Å; N46-C48 PolarHBondContact O-N 3.42Å; N46-C48 VanDerWaalsContact OD1-CA 3.31Å; N46-C48 WeakPolarHBondContact OD1-CA 3.26Å; N46-C48 WeakPolarHBondContact OD1-CB 3.44Å; N46-C48 PolarHBondContact OD1-N 3.4Å; N46-Q49 HydrophobicContact CB-CG 3.9Å; N46-Q49 WeakPolarHBondContact O-CB 3.47Å; N46-Q49 PolarHBondContact O-N 3.35Å; N46-Q49 PolarHBondContact OD1-N 3.03Å; N46-Q49 VanDerWaalsContact OD1-N 3.1Å; N46-D61 WeakPolarHBondContact CA-OD1 3.26Å; N46-D61 PolarHBondContact OD1-OD1 3.28Å
47E89.8Confident79.3Confident37 Ų3789.1 Ų89.117%0.17349%0.491CS..G310 helixtrans-62.7-24.5-176.8-78.487.8-159.800111.3I45 Q49 S50 D61 D65 Y66I45-E47 VanDerWaalsContact C-N 3.29Å; I45-E47 PolarHBondContact O-N 3.34Å; E47-Q49 VanDerWaalsContact C-N 3.28Å; E47-Q49 PolarHBondContact O-N 3Å; E47-S50 PolarHBondContact O-N 2.91Å; E47-S50 PolarHBondContact O-OG 3.29Å; E47-D61 PolarHBondContact N-OD1 3.29Å; E47-D65 PolarHBondContact OE2-N 3.35Å; E47-D65 VanDerWaalsContact OE2-O 3.1Å; E47-Y66 HydrophobicContact CB-CD1 3.9Å; E47-Y66 HydrophobicContact CB-CG 4.42Å
48C94.4Very high81.1Confident24 Ų2492.2 Ų92.216%0.16250%0.503CS..G310 helixtrans-69.6-16.2174.1-67.40000114.5N46 S50 S51 C59 R60 D61N46-C48 PolarHBondContact O-N 3.42Å; N46-C48 VanDerWaalsContact OD1-CA 3.31Å; N46-C48 WeakPolarHBondContact OD1-CA 3.26Å; N46-C48 WeakPolarHBondContact OD1-CB 3.44Å; N46-C48 PolarHBondContact OD1-N 3.4Å; C48-S50 PolarHBondContact O-N 2.92Å; C48-S51 PolarHBondContact O-N 3.28Å; C48-C59 WeakPolarHBondContact CA-SG 3.4Å; C48-C59 HydrophobicContact CB-CB 3.72Å; C48-C59 WeakPolarHBondContact CB-SG 3.5Å; C48-C59 WeakPolarHBondContact SG-CB 3.43Å; C48-C59 CovalentContact SG-SG 2.03Å; C48-C59 PolarHBondContact SG-SG 3.47Å; C48-R60 PolarHBondContact SG-N 3.06Å; C48-D61 PolarHBondContact SG-N 3.2Å; C48-D61 VanDerWaalsContact SG-N 3.41Å
49Q93.8Very high83Confident160 Ų16090.6 Ų90.675%0.74849%0.487SS*.G310 helixtrans-59.2-31.1174.6-77.8-173.9-7.500112.6N46 E47 S51N46-Q49 HydrophobicContact CB-CG 3.9Å; N46-Q49 WeakPolarHBondContact O-CB 3.47Å; N46-Q49 PolarHBondContact O-N 3.35Å; N46-Q49 PolarHBondContact OD1-N 3.03Å; N46-Q49 VanDerWaalsContact OD1-N 3.1Å; E47-Q49 VanDerWaalsContact C-N 3.28Å; E47-Q49 PolarHBondContact O-N 3Å; Q49-S51 PolarHBondContact O-N 3.22Å
50S93.5Very high85Confident91 Ų9193.7 Ų93.764%0.63648%0.479SS*.G310 helixtrans-73.4-4176.967.90000114E47 C48E47-S50 PolarHBondContact O-N 2.91Å; E47-S50 PolarHBondContact O-OG 3.29Å; C48-S50 PolarHBondContact O-N 2.92Å
51S95.1Very high86.9Confident97 Ų9790.8 Ų90.868%0.67847%0.47SS*.  trans48.956.9-172.2-60.30000112.8C48 Q49 C53C48-S51 PolarHBondContact O-N 3.28Å; Q49-S51 PolarHBondContact O-N 3.22Å; S51-C53 VanDerWaalsContact C-N 3.27Å; S51-C53 PolarHBondContact O-N 3.44Å
52P96.2Very high88.5Confident17 Ų1785.9 Ų85.911%0.1145%0.45CS..  trans-69.3-25-173.129.2-34.8000113Y66 N78P52-Y66 HydrophobicContact CB-CD2 4.13Å; P52-Y66 HydrophobicContact CB-CE1 4.13Å; P52-Y66 HydrophobicContact CB-CE2 3.57Å; P52-Y66 HydrophobicContact CG-CD1 4.18Å; P52-Y66 HydrophobicContact CG-CD2 3.55Å; P52-Y66 HydrophobicContact CG-CE1 4.18Å; P52-Y66 HydrophobicContact CG-CE2 3.55Å; P52-Y66 HydrophobicContact CG-CG 3.87Å; P52-N78 WeakPolarHBondContact O-CB 3.29Å
53C97.4Very high90Very high20 Ų2084.3 Ų84.314%0.13545%0.452CS..  trans-75.3123-178.7-50.80000111.9S51 G57 C59 C68S51-C53 VanDerWaalsContact C-N 3.27Å; S51-C53 PolarHBondContact O-N 3.44Å; C53-G57 WeakPolarHBondContact CB-O 3.28Å; C53-C59 VanDerWaalsContact SG-CA 3.54Å; C53-C59 WeakPolarHBondContact SG-CB 3.42Å; C53-C59 VanDerWaalsContact SG-SG 3.68Å; C53-C68 WeakPolarHBondContact CA-SG 3.45Å; C53-C68 HydrophobicContact CB-CB 3.8Å; C53-C68 WeakPolarHBondContact CB-SG 3.48Å; C53-C68 WeakPolarHBondContact SG-CA 3.46Å; C53-C68 WeakPolarHBondContact SG-CB 3.27Å; C53-C68 CovalentContact SG-SG 2.02Å; C53-C68 PolarHBondContact SG-SG 2.79Å
54R95.6Very high91.5Very high163 Ų16378 Ų7862%0.61544%0.437SS*.  trans-91.4171.6177.9-60.2-167.5174.6-147.2-1.2111.6G56 G57 N78 C79R54-G56 PolarHBondContact O-N 2.89Å; R54-G56 VanDerWaalsContact O-N 3.09Å; R54-G57 PolarHBondContact O-N 3.34Å; R54-N78 WeakPolarHBondContact CB-O 3.49Å; R54-N78 PolarHBondContact N-O 2.86Å; R54-C79 WeakPolarHBondContact O-CB 3.32Å
55N93.9Very high92.7Very high65 Ų6578.6 Ų78.635%0.34843%0.429SS..THydrogen-bonded Turntrans52.137.4172.1-58.9-47.4000113.1G57 M71 F74 C79N55-G57 VanDerWaalsContact C-N 3.35Å; N55-G57 PolarHBondContact O-N 3.29Å; N55-M71 WeakPolarHBondContact O-CE 3.27Å; N55-F74 HydrophobicContact CB-CD1 3.44Å; N55-F74 VanDerWaalsContact CB-CD1 3.44Å; N55-F74 HydrophobicContact CB-CD2 4.1Å; N55-F74 HydrophobicContact CB-CE1 3.44Å; N55-F74 VanDerWaalsContact CB-CE1 3.44Å; N55-F74 HydrophobicContact CB-CE2 4.1Å; N55-F74 HydrophobicContact CB-CG 3.78Å; N55-F74 HydrophobicContact CB-CZ 3.78Å; N55-F74 VanDerWaalsContact ND2-CD1 3.35Å; N55-F74 WeakPolarHBondContact ND2-CD1 3.48Å; N55-C79 PolarHBondContact ND2-O 2.9Å
56G93Very high93.3Very high58 Ų5874.6 Ų74.660%0.59841%0.406SS*.THydrogen-bonded Turntrans66.126.2-179.500000115.6R54R54-G56 PolarHBondContact O-N 2.89Å; R54-G56 VanDerWaalsContact O-N 3.09Å
57G95.1Very high93.7Very high14 Ų1477.4 Ų77.414%0.14441%0.413CS..PPolyproline II helixtrans-64142.4170.400000112.8C53 R54 N55 K69C53-G57 WeakPolarHBondContact CB-O 3.28Å; R54-G57 PolarHBondContact O-N 3.34Å; N55-G57 VanDerWaalsContact C-N 3.35Å; N55-G57 PolarHBondContact O-N 3.29Å; G57-K69 WeakPolarHBondContact CA-O 3.39Å
58E96Very high94.1Very high91 Ų9176 Ų7643%0.42541%0.407SS..EExtended strand (participates in β ladder)trans-83.7120.5176179.5-163.7144.300109R60 K69E58-R60 IonicContact OE1-CZ 3.36Å; E58-R60 IonicContact OE1-NE 3.6Å; E58-R60 PolarHBondContact OE1-NE 3.05Å; E58-R60 IonicContact OE1-NH2 3.89Å; E58-R60 PolarHBondContact OE1-NH2 3.06Å; E58-K69 HydrophobicContact CB-CB 4.24Å; E58-K69 PolarHBondContact N-O 3.42Å; E58-K69 PolarHBondContact O-N 2.82Å; E58-K69 IonicContact OE2-NZ 3.96Å; E58-K69 PolarHBondContact OE2-NZ 3.16Å
59C97.3Very high94.1Very high38 Ų3879.6 Ų79.626%0.25742%0.42SS..EExtended strand (participates in β ladder)trans-87134.4-179.9-164.70000111.3C48 C53C48-C59 WeakPolarHBondContact CA-SG 3.4Å; C48-C59 HydrophobicContact CB-CB 3.72Å; C48-C59 WeakPolarHBondContact CB-SG 3.5Å; C48-C59 WeakPolarHBondContact SG-CB 3.43Å; C48-C59 CovalentContact SG-SG 2.03Å; C48-C59 PolarHBondContact SG-SG 3.47Å; C53-C59 VanDerWaalsContact SG-CA 3.54Å; C53-C59 WeakPolarHBondContact SG-CB 3.42Å; C53-C59 VanDerWaalsContact SG-SG 3.68Å
60R95.9Very high94.1Very high127 Ų12773.9 Ų73.948%0.47940%0.397SS..EExtended strand (participates in β ladder)trans-120.4124.6170.2-64.9-173.2178-165-6.1109.8C48 E58 Y66 Y67C48-R60 PolarHBondContact SG-N 3.06Å; E58-R60 IonicContact OE1-CZ 3.36Å; E58-R60 IonicContact OE1-NE 3.6Å; E58-R60 PolarHBondContact OE1-NE 3.05Å; E58-R60 IonicContact OE1-NH2 3.89Å; E58-R60 PolarHBondContact OE1-NH2 3.06Å; R60-Y66 WeakPolarHBondContact O-CA 3.48Å; R60-Y67 PolarHBondContact N-O 3.42Å; R60-Y67 PolarHBondContact O-N 2.74Å
61D92.3Very high94Very high72 Ų7274.3 Ų74.339%0.38539%0.39SS..EExtended strand (participates in β ladder)trans-70.6135.1176.4-16263000110.1N46 E47 C48N46-D61 WeakPolarHBondContact CA-OD1 3.26Å; N46-D61 PolarHBondContact OD1-OD1 3.28Å; E47-D61 PolarHBondContact N-OD1 3.29Å; C48-D61 PolarHBondContact SG-N 3.2Å; C48-D61 VanDerWaalsContact SG-N 3.41Å
62L91Very high93.7Very high88 Ų8877 Ų7746%0.46139%0.392SS..EExtended strand (participates in β ladder)trans-129.1176.7175.9-58175.9000108.8N64 D65L62-N64 PolarHBondContact O-N 3.06Å; L62-N64 VanDerWaalsContact O-N 3.12Å; L62-D65 CarbonylContact C-O 3.34Å; L62-D65 VanDerWaalsContact CA-O 3.29Å; L62-D65 WeakPolarHBondContact CA-O 3.4Å; L62-D65 HydrophobicContact CB-CB 4.34Å; L62-D65 VanDerWaalsContact CB-O 3.28Å; L62-D65 WeakPolarHBondContact CB-O 3.38Å; L62-D65 PolarHBondContact N-O 3.42Å; L62-D65 VanDerWaalsContact O-O 3.08Å
63V88.6Confident93.4Very high111 Ų11176.3 Ų76.367%0.67339%0.388SS*.THydrogen-bonded Turntrans-73.7108.8179-179.10000110.4D65V63-D65 PolarHBondContact O-N 2.9Å
64N87.6Confident93.1Very high124 Ų12477.6 Ų77.666%0.66339%0.391SS*.THydrogen-bonded Turntrans57.726.7-176.8-52.4-55.4000113.3L62L62-N64 PolarHBondContact O-N 3.06Å; L62-N64 VanDerWaalsContact O-N 3.12Å
65D92.5Very high92.9Very high60 Ų6072.7 Ų72.732%0.32137%0.373SS..EExtended strand (participates in β ladder)trans-160.2172.4179.5-158.65000109.6E47 L62 V63 K77E47-D65 PolarHBondContact OE2-N 3.35Å; E47-D65 VanDerWaalsContact OE2-O 3.1Å; L62-D65 CarbonylContact C-O 3.34Å; L62-D65 VanDerWaalsContact CA-O 3.29Å; L62-D65 WeakPolarHBondContact CA-O 3.4Å; L62-D65 HydrophobicContact CB-CB 4.34Å; L62-D65 VanDerWaalsContact CB-O 3.28Å; L62-D65 WeakPolarHBondContact CB-O 3.38Å; L62-D65 PolarHBondContact N-O 3.42Å; L62-D65 VanDerWaalsContact O-O 3.08Å; V63-D65 PolarHBondContact O-N 2.9Å; D65-K77 VanDerWaalsContact OD1-CE 3.31Å; D65-K77 WeakPolarHBondContact OD1-CE 3.31Å; D65-K77 IonicContact OD1-NZ 3.53Å; D65-K77 PolarHBondContact OD1-NZ 3Å; D65-K77 IonicContact OD2-NZ 2.8Å; D65-K77 PolarHBondContact OD2-NZ 3.48Å
66Y94Very high92.8Very high42 Ų4271 Ų7117%0.16537%0.371CS..EExtended strand (participates in β ladder)trans-135.4157.6170.761.5-82.2000110.7E47 P52 R60 K77 N78E47-Y66 HydrophobicContact CB-CD1 3.9Å; E47-Y66 HydrophobicContact CB-CG 4.42Å; P52-Y66 HydrophobicContact CB-CD2 4.13Å; P52-Y66 HydrophobicContact CB-CE1 4.13Å; P52-Y66 HydrophobicContact CB-CE2 3.57Å; P52-Y66 HydrophobicContact CG-CD1 4.18Å; P52-Y66 HydrophobicContact CG-CD2 3.55Å; P52-Y66 HydrophobicContact CG-CE1 4.18Å; P52-Y66 HydrophobicContact CG-CE2 3.55Å; P52-Y66 HydrophobicContact CG-CG 3.87Å; R60-Y66 WeakPolarHBondContact O-CA 3.48Å; Y66-K77 HydrophobicContact CE2-CG 4.39Å; Y66-N78 WeakPolarHBondContact CE2-OD1 3.36Å; Y66-N78 VanDerWaalsContact OH-CG 3.32Å; Y66-N78 PolarHBondContact OH-ND2 3.26Å; Y66-N78 PolarHBondContact OH-OD1 3.13Å
67Y95.7Very high92.8Very high127 Ų12773.5 Ų73.550%0.49837%0.365SS..EExtended strand (participates in β ladder)trans-120.2122.4171.5172.7-101.5000110.3R60 K69R60-Y67 PolarHBondContact N-O 3.42Å; R60-Y67 PolarHBondContact O-N 2.74Å; Y67-K69 HydrophobicContact CE1-CB 3.92Å
68C96.6Very high92.8Very high6 Ų674.8 Ų74.84%0.04137%0.369CS..EExtended strand (participates in β ladder)trans-92.1117.7170.8-63.70000110.7C53 C70 K77 C79C53-C68 WeakPolarHBondContact CA-SG 3.45Å; C53-C68 HydrophobicContact CB-CB 3.8Å; C53-C68 WeakPolarHBondContact CB-SG 3.48Å; C53-C68 WeakPolarHBondContact SG-CA 3.46Å; C53-C68 WeakPolarHBondContact SG-CB 3.27Å; C53-C68 CovalentContact SG-SG 2.02Å; C53-C68 PolarHBondContact SG-SG 2.79Å; C68-C70 PolarHBondContact O-N 3.3Å; C68-K77 VanDerWaalsContact CB-O 3.27Å; C68-K77 WeakPolarHBondContact CB-O 3.4Å; C68-K77 PolarHBondContact SG-O 3.15Å; C68-K77 VanDerWaalsContact SG-O 3.33Å; C68-C79 VanDerWaalsContact CB-SG 3.54Å
69K95.4Very high92.8Very high100 Ų10070.5 Ų70.544%0.43535%0.349SS..EExtended strand (participates in β ladder)trans-82.4104.4166.8-178.7-174.2170.3-163.10108.9G57 E58 Y67G57-K69 WeakPolarHBondContact CA-O 3.39Å; E58-K69 HydrophobicContact CB-CB 4.24Å; E58-K69 PolarHBondContact N-O 3.42Å; E58-K69 PolarHBondContact O-N 2.82Å; E58-K69 IonicContact OE2-NZ 3.96Å; E58-K69 PolarHBondContact OE2-NZ 3.16Å; Y67-K69 HydrophobicContact CE1-CB 3.92Å
70C93.1Very high92.6Very high40 Ų4072.6 Ų72.627%0.2736%0.355SS..PPolyproline II helixtrans-74.9141.1-177.4-54.30000112.8C68 F74 C79C68-C70 PolarHBondContact O-N 3.3Å; C70-F74 HydrophobicContact CB-CB 4.2Å; C70-F74 VanDerWaalsContact CB-O 3.3Å; C70-F74 WeakPolarHBondContact CB-O 3.22Å; C70-C79 WeakPolarHBondContact CA-SG 3.44Å; C70-C79 HydrophobicContact CB-CB 3.76Å; C70-C79 WeakPolarHBondContact CB-SG 3.39Å; C70-C79 WeakPolarHBondContact SG-CA 3.27Å; C70-C79 WeakPolarHBondContact SG-CB 3.4Å; C70-C79 CovalentContact SG-SG 2.04Å; C70-C79 PolarHBondContact SG-SG 3.32Å
71M91.3Very high92.3Very high100 Ų10070.6 Ų70.649%0.49335%0.353SS..PPolyproline II helixtrans-63.4158.6166.7-71.1-159.3-73.100111N55 G73 F74N55-M71 WeakPolarHBondContact O-CE 3.27Å; M71-G73 PolarHBondContact O-N 2.73Å; M71-F74 HydrophobicContact CB-CD2 4.03Å; M71-F74 HydrophobicContact CB-CE2 4.46Å; M71-F74 PolarHBondContact O-N 2.76Å; M71-F74 VanDerWaalsContact O-N 3.09Å
72Q88.3Confident92.2Very high154 Ų15470.4 Ų70.472%0.7235%0.351SS*.THydrogen-bonded Turntrans-53.9126.5177.6-71.2-165.88200110.7
73G89.9Confident92.2Very high2 Ų266.6 Ų66.62%0.02133%0.332CS..THydrogen-bonded Turntrans96.2-2.5-179.400000116M71 A83 N96M71-G73 PolarHBondContact O-N 2.73Å; G73-A83 WeakPolarHBondContact O-CB 3.45Å; G73-A83 PolarHBondContact O-N 3.17Å; G73-N96 VanDerWaalsContact CA-CB 3.41Å; G73-N96 WeakPolarHBondContact CA-OD1 3.3Å
74F92.1Very high92.4Very high48 Ų4862.4 Ų62.421%0.21131%0.308CS..EExtended strand (participates in β ladder)trans-117.1148.3174.7-56.8-82.1000111.1N55 C70 M71 C79 I81 I82N55-F74 HydrophobicContact CB-CD1 3.44Å; N55-F74 VanDerWaalsContact CB-CD1 3.44Å; N55-F74 HydrophobicContact CB-CD2 4.1Å; N55-F74 HydrophobicContact CB-CE1 3.44Å; N55-F74 VanDerWaalsContact CB-CE1 3.44Å; N55-F74 HydrophobicContact CB-CE2 4.1Å; N55-F74 HydrophobicContact CB-CG 3.78Å; N55-F74 HydrophobicContact CB-CZ 3.78Å; N55-F74 VanDerWaalsContact ND2-CD1 3.35Å; N55-F74 WeakPolarHBondContact ND2-CD1 3.48Å; C70-F74 HydrophobicContact CB-CB 4.2Å; C70-F74 VanDerWaalsContact CB-O 3.3Å; C70-F74 WeakPolarHBondContact CB-O 3.22Å; M71-F74 HydrophobicContact CB-CD2 4.03Å; M71-F74 HydrophobicContact CB-CE2 4.46Å; M71-F74 PolarHBondContact O-N 2.76Å; M71-F74 VanDerWaalsContact O-N 3.09Å; F74-C79 HydrophobicContact CB-CB 4.14Å; F74-I81 CarbonylContact C-O 3.17Å; F74-I81 VanDerWaalsContact CA-O 3.3Å; F74-I81 WeakPolarHBondContact CA-O 3.25Å; F74-I82 HydrophobicContact CD1-CB 4.48Å; F74-I82 HydrophobicContact CD1-CG1 4.05Å; F74-I82 HydrophobicContact CE1-CB 4.45Å; F74-I82 HydrophobicContact CE1-CD1 4.38Å; F74-I82 HydrophobicContact CE1-CG1 3.88Å; F74-I82 HydrophobicContact CE1-CG2 4.21Å
75R90.6Very high92.6Very high60 Ų6062.7 Ų62.723%0.22630%0.303CS..EExtended strand (participates in β ladder)trans-145.9179.1178.6-64.4-166.8-168.775.834.8110.9C79 E80 I81 L97 P98 G100R75-C79 CarbonylContact O-C 3.46Å; R75-C79 VanDerWaalsContact O-CA 3.23Å; R75-C79 WeakPolarHBondContact O-CA 3.42Å; R75-E80 PolarHBondContact O-N 3.33Å; R75-E80 VanDerWaalsContact O-N 3.11Å; R75-I81 HydrophobicContact CB-CB 4.25Å; R75-I81 PolarHBondContact N-O 2.96Å; R75-I81 WeakPolarHBondContact O-CA 3.37Å; R75-I81 VanDerWaalsContact O-CB 3.29Å; R75-I81 WeakPolarHBondContact O-CB 3.27Å; R75-I81 PolarHBondContact O-N 3.08Å; R75-L97 PolarHBondContact NH2-O 2.77Å; R75-P98 PolarHBondContact NE-O 3.31Å; R75-P98 VanDerWaalsContact NH2-C 3.28Å; R75-P98 PolarHBondContact NH2-O 3.45Å; R75-G100 PolarHBondContact NH1-O 3.33Å; R75-G100 VanDerWaalsContact NH2-CA 3.33Å; R75-G100 PolarHBondContact NH2-O 3.19Å
76G91.6Very high92.4Very high30 Ų3066.1 Ų66.131%0.30933%0.328SS..SBendtrans97.9165.5-17400000110.6N78 C79 E80G76-N78 PolarHBondContact O-N 3.25Å; G76-C79 PolarHBondContact O-N 2.76Å; G76-E80 WeakPolarHBondContact CA-OE1 3.37Å
77K93.9Very high92.2Very high109 Ų10966.7 Ų66.747%0.47435%0.347SS..THydrogen-bonded Turntrans-61-29.9-178.6-179.3143.5178.8167.50111.2D65 Y66 C68D65-K77 VanDerWaalsContact OD1-CE 3.31Å; D65-K77 WeakPolarHBondContact OD1-CE 3.31Å; D65-K77 IonicContact OD1-NZ 3.53Å; D65-K77 PolarHBondContact OD1-NZ 3Å; D65-K77 IonicContact OD2-NZ 2.8Å; D65-K77 PolarHBondContact OD2-NZ 3.48Å; Y66-K77 HydrophobicContact CE2-CG 4.39Å; C68-K77 VanDerWaalsContact CB-O 3.27Å; C68-K77 WeakPolarHBondContact CB-O 3.4Å; C68-K77 PolarHBondContact SG-O 3.15Å; C68-K77 VanDerWaalsContact SG-O 3.33Å
78N96Very high92.1Very high42 Ų4261.7 Ų61.723%0.22533%0.329CS..THydrogen-bonded Turntrans-114.116.9-176.6-60.813.2000111.1P52 R54 Y66 G76 E80P52-N78 WeakPolarHBondContact O-CB 3.29Å; R54-N78 WeakPolarHBondContact CB-O 3.49Å; R54-N78 PolarHBondContact N-O 2.86Å; Y66-N78 WeakPolarHBondContact CE2-OD1 3.36Å; Y66-N78 VanDerWaalsContact OH-CG 3.32Å; Y66-N78 PolarHBondContact OH-ND2 3.26Å; Y66-N78 PolarHBondContact OH-OD1 3.13Å; G76-N78 PolarHBondContact O-N 3.25Å; N78-E80 WeakPolarHBondContact CA-OE2 3.21Å; N78-E80 VanDerWaalsContact CB-OE2 3.31Å; N78-E80 WeakPolarHBondContact CB-OE2 3.44Å; N78-E80 PolarHBondContact N-OE2 2.87Å; N78-E80 PolarHBondContact O-N 2.76Å; N78-E80 VanDerWaalsContact O-N 3.17Å
79C94.4Very high92Very high0 Ų062 Ų620%033%0.331CS..SBendtrans56.527.1-174.9-49.80000114R54 N55 C68 C70 F74 R75 G76R54-C79 WeakPolarHBondContact O-CB 3.32Å; N55-C79 PolarHBondContact ND2-O 2.9Å; C68-C79 VanDerWaalsContact CB-SG 3.54Å; C70-C79 WeakPolarHBondContact CA-SG 3.44Å; C70-C79 HydrophobicContact CB-CB 3.76Å; C70-C79 WeakPolarHBondContact CB-SG 3.39Å; C70-C79 WeakPolarHBondContact SG-CA 3.27Å; C70-C79 WeakPolarHBondContact SG-CB 3.4Å; C70-C79 CovalentContact SG-SG 2.04Å; C70-C79 PolarHBondContact SG-SG 3.32Å; F74-C79 HydrophobicContact CB-CB 4.14Å; R75-C79 CarbonylContact O-C 3.46Å; R75-C79 VanDerWaalsContact O-CA 3.23Å; R75-C79 WeakPolarHBondContact O-CA 3.42Å; G76-C79 PolarHBondContact O-N 2.76Å
80E93.3Very high92Very high83 Ų8360.5 Ų60.539%0.38833%0.33SS..  trans-79.3-22-175.572.7-73.2173.800113.9R75 G76 N78R75-E80 PolarHBondContact O-N 3.33Å; R75-E80 VanDerWaalsContact O-N 3.11Å; G76-E80 WeakPolarHBondContact CA-OE1 3.37Å; N78-E80 WeakPolarHBondContact CA-OE2 3.21Å; N78-E80 VanDerWaalsContact CB-OE2 3.31Å; N78-E80 WeakPolarHBondContact CB-OE2 3.44Å; N78-E80 PolarHBondContact N-OE2 2.87Å; N78-E80 PolarHBondContact O-N 2.76Å; N78-E80 VanDerWaalsContact O-N 3.17Å
81I90.6Very high91.9Very high84 Ų8462.9 Ų62.943%0.43134%0.336SS..EExtended strand (participates in β ladder)trans-87.5112.9-177.9-53.7174.9000109.3F74 R75F74-I81 CarbonylContact C-O 3.17Å; F74-I81 VanDerWaalsContact CA-O 3.3Å; F74-I81 WeakPolarHBondContact CA-O 3.25Å; R75-I81 HydrophobicContact CB-CB 4.25Å; R75-I81 PolarHBondContact N-O 2.96Å; R75-I81 WeakPolarHBondContact O-CA 3.37Å; R75-I81 VanDerWaalsContact O-CB 3.29Å; R75-I81 WeakPolarHBondContact O-CB 3.27Å; R75-I81 PolarHBondContact O-N 3.08Å
82I90.2Very high92Very high69 Ų6959.1 Ų59.135%0.35432%0.323SS..EExtended strand (participates in β ladder)trans-80.5123.6172.5-47.5-177.8000109.1F74 C84F74-I82 HydrophobicContact CD1-CB 4.48Å; F74-I82 HydrophobicContact CD1-CG1 4.05Å; F74-I82 HydrophobicContact CE1-CB 4.45Å; F74-I82 HydrophobicContact CE1-CD1 4.38Å; F74-I82 HydrophobicContact CE1-CG1 3.88Å; F74-I82 HydrophobicContact CE1-CG2 4.21Å; I82-C84 WeakPolarHBondContact CG2-O 3.47Å
83A90.2Very high92.2Very high7 Ų756.4 Ų56.46%0.05832%0.317CS..SBendtrans-68.5-51.7177.700000111.1G73 K85 L88G73-A83 WeakPolarHBondContact O-CB 3.45Å; G73-A83 PolarHBondContact O-N 3.17Å; A83-K85 PolarHBondContact O-N 2.89Å; A83-L88 VanDerWaalsContact O-CD2 3.23Å; A83-L88 WeakPolarHBondContact O-CD2 2.92Å
84C93.6Very high92.5Very high24 Ų2458 Ų5816%0.16233%0.328CS..SBendtrans-89.887.9173.4-75.90000111.7I82 C94 N96I82-C84 WeakPolarHBondContact CG2-O 3.47Å; C84-C94 WeakPolarHBondContact CA-SG 3.32Å; C84-C94 HydrophobicContact CB-CB 3.66Å; C84-C94 WeakPolarHBondContact CB-SG 3.48Å; C84-C94 WeakPolarHBondContact SG-CB 3.48Å; C84-C94 CovalentContact SG-SG 2.03Å; C84-C94 PolarHBondContact SG-SG 3.46Å; C84-N96 WeakPolarHBondContact CB-OD1 3.38Å; C84-N96 PolarHBondContact N-OD1 3.26Å; C84-N96 PolarHBondContact SG-OD1 3.28Å
85K90.9Very high92.5Very high129 Ų12962.6 Ų62.656%0.56134%0.343SS*.  trans-73.9146.9172.2-62.4-177.1-178.3179.70110.8A83 G87 L88A83-K85 PolarHBondContact O-N 2.89Å; K85-G87 PolarHBondContact O-N 3.45Å; K85-L88 HydrophobicContact CB-CB 4.4Å; K85-L88 WeakPolarHBondContact O-CB 3.47Å; K85-L88 PolarHBondContact O-N 3.48Å; K85-L88 VanDerWaalsContact O-N 3.11Å
86P89.3Confident92.5Very high132 Ų13262.9 Ų62.986%0.85735%0.349SS*.THydrogen-bonded Turntrans-52.4134.2169.5-25.634.6000111.3L88P86-L88 PolarHBondContact O-N 3.42Å
87G90.2Very high92.3Very high54 Ų5464.5 Ų64.556%0.55735%0.351SS*.THydrogen-bonded Turntrans71.18.8-179.400000115.7K85 R113K85-G87 PolarHBondContact O-N 3.45Å; G87-R113 PolarHBondContact O-NH2 3.08Å
88L92.6Very high91.6Very high22 Ų2264 Ų6412%0.11536%0.359CS..SBendtrans-64.7-49.3176.6-178.460.9000112A83 K85 P86 Y101 R113A83-L88 VanDerWaalsContact O-CD2 3.23Å; A83-L88 WeakPolarHBondContact O-CD2 2.92Å; K85-L88 HydrophobicContact CB-CB 4.4Å; K85-L88 WeakPolarHBondContact O-CB 3.47Å; K85-L88 PolarHBondContact O-N 3.48Å; K85-L88 VanDerWaalsContact O-N 3.11Å; P86-L88 PolarHBondContact O-N 3.42Å; L88-Y101 HydrophobicContact CD1-CE1 4.31Å; L88-Y101 HydrophobicContact CD1-CE2 4.07Å; L88-Y101 HydrophobicContact CD2-CD1 3.7Å; L88-Y101 HydrophobicContact CD2-CD2 3.42Å; L88-Y101 VanDerWaalsContact CD2-CD2 3.42Å; L88-Y101 HydrophobicContact CD2-CE1 3.76Å; L88-Y101 HydrophobicContact CD2-CE2 3.48Å; L88-Y101 VanDerWaalsContact CD2-CE2 3.48Å; L88-Y101 HydrophobicContact CD2-CG 3.53Å; L88-Y101 HydrophobicContact CG-CD2 4.07Å; L88-Y101 HydrophobicContact CG-CE1 4.46Å; L88-Y101 HydrophobicContact CG-CE2 3.69Å; L88-R113 HydrophobicContact CD1-CG 4.4Å; L88-R113 WeakPolarHBondContact O-CB 3.21Å; L88-R113 WeakPolarHBondContact O-CG 3.45Å; L88-R113 PolarHBondContact O-NE 2.8Å
89C95Very high90.9Very high14 Ų1469.5 Ų69.510%0.09539%0.388CS..SBendtrans-95110.1171.5-48.30000107.8G92 C94 C103C89-G92 WeakPolarHBondContact CB-O 3.48Å; C89-C94 HydrophobicContact CB-CB 4.49Å; C89-C94 WeakPolarHBondContact SG-CA 3.18Å; C89-C94 WeakPolarHBondContact SG-CB 3.02Å; C89-C103 VanDerWaalsContact CA-SG 3.53Å; C89-C103 HydrophobicContact CB-CB 3.71Å; C89-C103 WeakPolarHBondContact CB-SG 3.44Å; C89-C103 WeakPolarHBondContact SG-CA 3.22Å; C89-C103 WeakPolarHBondContact SG-CB 3Å; C89-C103 CovalentContact SG-SG 2.01Å; C89-C103 PolarHBondContact SG-SG 3.5Å
90V94Very high90.5Very high67 Ų6770.3 Ų70.341%0.40640%0.396SS..THydrogen-bonded Turntrans-79.1-54.2-172.6179.80000110.5R113 L115V90-R113 PolarHBondContact N-O 3.19Å; V90-L115 HydrophobicContact CB-CD2 3.69Å; V90-L115 HydrophobicContact CB-CG 4.22Å; V90-L115 HydrophobicContact CG1-CD2 3.93Å; V90-L115 HydrophobicContact CG2-CD1 4.46Å; V90-L115 HydrophobicContact CG2-CD2 3.53Å; V90-L115 HydrophobicContact CG2-CG 3.92Å
91F92.1Very high90.4Very high91 Ų9169 Ų6940%0.39939%0.388SS..THydrogen-bonded Turntrans-108.161.4172.5-58.4-71.6000110.7C105 T106 F109 C114F91-C105 WeakPolarHBondContact O-CA 3.38Å; F91-T106 PolarHBondContact O-N 3.28Å; F91-T106 PolarHBondContact O-OG1 2.86Å; F91-F109 HydrophobicContact CB-CB 3.91Å; F91-F109 HydrophobicContact CB-CD1 3.82Å; F91-F109 HydrophobicContact CB-CD2 3.38Å; F91-F109 HydrophobicContact CB-CE1 4.17Å; F91-F109 HydrophobicContact CB-CE2 3.76Å; F91-F109 HydrophobicContact CB-CG 3.4Å; F91-F109 HydrophobicContact CB-CZ 4.13Å; F91-F109 HydrophobicContact CD1-CD2 4.37Å; F91-F109 HydrophobicContact CD1-CE1 4.23Å; F91-F109 AromaticContact CD1-CE2 3.84Å; F91-F109 HydrophobicContact CD1-CE2 3.84Å; F91-F109 AromaticContact CD1-CZ 3.76Å; F91-F109 HydrophobicContact CD1-CZ 3.76Å; F91-F109 AromaticContact CD2-CD1 3.29Å; F91-F109 HydrophobicContact CD2-CD1 3.29Å; F91-F109 HydrophobicContact CD2-CD2 4.24Å; F91-F109 AromaticContact CD2-CE1 3.12Å; F91-F109 HydrophobicContact CD2-CE1 3.12Å; F91-F109 HydrophobicContact CD2-CE2 4.09Å; F91-F109 AromaticContact CD2-CG 3.86Å; F91-F109 HydrophobicContact CD2-CG 3.86Å; F91-F109 AromaticContact CD2-CZ 3.55Å; F91-F109 HydrophobicContact CD2-CZ 3.55Å; F91-F109 HydrophobicContact CE1-CE1 4.43Å; F91-F109 HydrophobicContact CE1-CE2 4.45Å; F91-F109 AromaticContact CE1-CZ 3.97Å; F91-F109 HydrophobicContact CE1-CZ 3.97Å; F91-F109 HydrophobicContact CE2-CD1 4.01Å; F91-F109 AromaticContact CE2-CE1 3.39Å; F91-F109 HydrophobicContact CE2-CE1 3.39Å; F91-F109 AromaticContact CE2-CZ 3.78Å; F91-F109 HydrophobicContact CE2-CZ 3.78Å; F91-F109 AromaticContact CG-CD1 3.72Å; F91-F109 HydrophobicContact CG-CD1 3.72Å; F91-F109 AromaticContact CG-CD2 3.77Å; F91-F109 HydrophobicContact CG-CD2 3.77Å; F91-F109 AromaticContact CG-CE1 3.59Å; F91-F109 HydrophobicContact CG-CE1 3.59Å; F91-F109 AromaticContact CG-CE2 3.63Å; F91-F109 HydrophobicContact CG-CE2 3.63Å; F91-F109 AromaticContact CG-CG 3.8Å; F91-F109 HydrophobicContact CG-CG 3.8Å; F91-F109 AromaticContact CG-CZ 3.53Å; F91-F109 HydrophobicContact CG-CZ 3.53Å; F91-F109 HydrophobicContact CZ-CE1 4.05Å; F91-F109 AromaticContact CZ-CZ 3.98Å; F91-F109 HydrophobicContact CZ-CZ 3.98Å; F91-C114 HydrophobicContact CB-CB 4.35Å; F91-C114 WeakPolarHBondContact CB-O 3.24Å; F91-C114 VanDerWaalsContact CD2-O 3.28Å; F91-C114 WeakPolarHBondContact CD2-O 3.01Å; F91-C114 PolarHBondContact N-O 3.42Å; F91-C114 VanDerWaalsContact O-CB 3.24Å; F91-C114 WeakPolarHBondContact O-CB 3Å
92G92.6Very high90.5Very high20 Ų2071.5 Ų71.521%0.20639%0.392CS..EExtended strand (participates in β ladder)trans178.1178.1179.100000114.4C89 D104C89-G92 WeakPolarHBondContact CB-O 3.48Å; G92-D104 CarbonylContact C-O 3.59Å; G92-D104 WeakPolarHBondContact CA-O 3.4Å
93T93.7Very high90.7Very high98 Ų9868.5 Ų68.560%0.60138%0.377SS*.EExtended strand (participates in β ladder)trans-102.3132.5178.1-580000110.5C103 D104T93-C103 CarbonylContact O-C 3.48Å; T93-C103 WeakPolarHBondContact O-CA 3.47Å; T93-D104 PolarHBondContact N-O 3.31Å; T93-D104 PolarHBondContact O-N 2.94Å
94C94.7Very high90.8Very high36 Ų3671 Ų7124%0.24339%0.39CS..EExtended strand (participates in β ladder)trans-83.8131.5176.7-166.90000112C84 C89C84-C94 WeakPolarHBondContact CA-SG 3.32Å; C84-C94 HydrophobicContact CB-CB 3.66Å; C84-C94 WeakPolarHBondContact CB-SG 3.48Å; C84-C94 WeakPolarHBondContact SG-CB 3.48Å; C84-C94 CovalentContact SG-SG 2.03Å; C84-C94 PolarHBondContact SG-SG 3.46Å; C89-C94 HydrophobicContact CB-CB 4.49Å; C89-C94 WeakPolarHBondContact SG-CA 3.18Å; C89-C94 WeakPolarHBondContact SG-CB 3.02Å
95R93.3Very high90.6Very high143 Ų14371 Ų7154%0.5439%0.389SS..EExtended strand (participates in β ladder)trans-111.8126.8172.2-67-17871.7168.28.5110.8L97 Y101 R102 D104R95-L97 PolarHBondContact O-N 3.09Å; R95-Y101 CarbonylContact O-C 3.49Å; R95-Y101 VanDerWaalsContact O-CA 3.26Å; R95-Y101 WeakPolarHBondContact O-CA 3.35Å; R95-R102 PolarHBondContact N-O 2.91Å; R95-R102 PolarHBondContact O-N 3.04Å; R95-D104 WeakPolarHBondContact CD-OD2 3.38Å; R95-D104 IonicContact CZ-OD2 3.92Å; R95-D104 IonicContact NE-OD2 2.84Å; R95-D104 IonicContact NH1-OD2 3.17Å; R95-D104 PolarHBondContact NH1-OD2 2.88Å
96N90.3Very high90.4Very high66 Ų6668.8 Ų68.835%0.35339%0.387SS..EExtended strand (participates in β ladder)trans-70.5125.8171.3-73-46.1000109.7G73 C84G73-N96 VanDerWaalsContact CA-CB 3.41Å; G73-N96 WeakPolarHBondContact CA-OD1 3.3Å; C84-N96 WeakPolarHBondContact CB-OD1 3.38Å; C84-N96 PolarHBondContact N-OD1 3.26Å; C84-N96 PolarHBondContact SG-OD1 3.28Å
97L87.3Confident90Very high65 Ų6569.4 Ų69.434%0.3438%0.376SS..  trans-109.8168.2170.8-63.9179.1000109.6R75 R95 G100 R102R75-L97 PolarHBondContact NH2-O 2.77Å; R95-L97 PolarHBondContact O-N 3.09Å; L97-G100 PolarHBondContact N-O 3.45Å; L97-R102 HydrophobicContact CD1-CB 3.78Å; L97-R102 HydrophobicContact CG-CB 4.31Å
98P80.1Confident89.5Confident99 Ų9967.9 Ų67.964%0.64336%0.361SS*.SBendtrans-59.7-46171.4-27.136.1000112.7R75R75-P98 PolarHBondContact NE-O 3.31Å; R75-P98 VanDerWaalsContact NH2-C 3.28Å; R75-P98 PolarHBondContact NH2-O 3.45Å
99N80.6Confident89.2Confident157 Ų15768.9 Ų68.984%0.8436%0.364SS*.SBendtrans-108.24.4-174.5-65.1-12.5000114.9
100G85.9Confident88.8Confident17 Ų1772 Ų7218%0.17538%0.376CS..SBendtrans-167.7-151.4175.300000113.8R75 L97R75-G100 PolarHBondContact NH1-O 3.33Å; R75-G100 VanDerWaalsContact NH2-CA 3.33Å; R75-G100 PolarHBondContact NH2-O 3.19Å; L97-G100 PolarHBondContact N-O 3.45Å
101Y91.6Very high88.5Confident56 Ų5670.1 Ų70.122%0.2237%0.371CS..EExtended strand (participates in β ladder)trans-124.6161.9159.866.5-85.6000107.8L88 R95 Q112L88-Y101 HydrophobicContact CD1-CE1 4.31Å; L88-Y101 HydrophobicContact CD1-CE2 4.07Å; L88-Y101 HydrophobicContact CD2-CD1 3.7Å; L88-Y101 HydrophobicContact CD2-CD2 3.42Å; L88-Y101 VanDerWaalsContact CD2-CD2 3.42Å; L88-Y101 HydrophobicContact CD2-CE1 3.76Å; L88-Y101 HydrophobicContact CD2-CE2 3.48Å; L88-Y101 VanDerWaalsContact CD2-CE2 3.48Å; L88-Y101 HydrophobicContact CD2-CG 3.53Å; L88-Y101 HydrophobicContact CG-CD2 4.07Å; L88-Y101 HydrophobicContact CG-CE1 4.46Å; L88-Y101 HydrophobicContact CG-CE2 3.69Å; R95-Y101 CarbonylContact O-C 3.49Å; R95-Y101 VanDerWaalsContact O-CA 3.26Å; R95-Y101 WeakPolarHBondContact O-CA 3.35Å; Y101-Q112 HydrophobicContact CE2-CG 4.13Å; Y101-Q112 PolarHBondContact OH-NE2 3.47Å; Y101-Q112 VanDerWaalsContact OH-NE2 3.09Å
102R92.8Very high88.5Confident136 Ų13672.6 Ų72.651%0.51338%0.384SS..EExtended strand (participates in β ladder)trans-133133.2166.5172.4172.5-67.8-81.5-0.2108.2R95 L97R95-R102 PolarHBondContact N-O 2.91Å; R95-R102 PolarHBondContact O-N 3.04Å; L97-R102 HydrophobicContact CD1-CB 3.78Å; L97-R102 HydrophobicContact CG-CB 4.31Å
103C93.6Very high88.5Confident5 Ų577 Ų773%0.03439%0.394CS..EExtended strand (participates in β ladder)trans-89.9125.4171-64.70000109.4C89 T93 Q112 C114 H136C89-C103 VanDerWaalsContact CA-SG 3.53Å; C89-C103 HydrophobicContact CB-CB 3.71Å; C89-C103 WeakPolarHBondContact CB-SG 3.44Å; C89-C103 WeakPolarHBondContact SG-CA 3.22Å; C89-C103 WeakPolarHBondContact SG-CB 3Å; C89-C103 CovalentContact SG-SG 2.01Å; C89-C103 PolarHBondContact SG-SG 3.5Å; T93-C103 CarbonylContact O-C 3.48Å; T93-C103 WeakPolarHBondContact O-CA 3.47Å; C103-Q112 PolarHBondContact SG-O 2.73Å; C103-C114 WeakPolarHBondContact CB-SG 3.29Å; C103-H136 PolarHBondContact O-CE1 3.38Å
104D92.3Very high88.4Confident60 Ų6072.3 Ų72.332%0.32137%0.365SS..EExtended strand (participates in β ladder)trans-88.6100.5166.9-70.5-0.6000106.7G92 T93 R95G92-D104 CarbonylContact C-O 3.59Å; G92-D104 WeakPolarHBondContact CA-O 3.4Å; T93-D104 PolarHBondContact N-O 3.31Å; T93-D104 PolarHBondContact O-N 2.94Å; R95-D104 WeakPolarHBondContact CD-OD2 3.38Å; R95-D104 IonicContact CZ-OD2 3.92Å; R95-D104 IonicContact NE-OD2 2.84Å; R95-D104 IonicContact NH1-OD2 3.17Å; R95-D104 PolarHBondContact NH1-OD2 2.88Å
105C89.3Confident88.2Confident23 Ų2375.2 Ų75.216%0.15538%0.378CS..EExtended strand (participates in β ladder)trans-71.5141.7-174.4-550000112.3F91 F109 C114 H136F91-C105 WeakPolarHBondContact O-CA 3.38Å; C105-F109 HydrophobicContact CB-CB 4.29Å; C105-F109 WeakPolarHBondContact CB-O 3.2Å; C105-C114 WeakPolarHBondContact CA-SG 3.05Å; C105-C114 HydrophobicContact CB-CB 3.66Å; C105-C114 WeakPolarHBondContact CB-SG 3.36Å; C105-C114 WeakPolarHBondContact SG-CA 3.02Å; C105-C114 WeakPolarHBondContact SG-CB 3.4Å; C105-C114 CovalentContact SG-SG 2.03Å; C105-C114 PolarHBondContact SG-SG 3.24Å; C105-H136 PolarHBondContact SG-CE1 2.77Å
106T87.7Confident88Confident84 Ų8473.7 Ų73.752%0.51538%0.377SS..PPolyproline II helixtrans-60.5152.2165.5-550000109.3F91 G108 F109F91-T106 PolarHBondContact O-N 3.28Å; F91-T106 PolarHBondContact O-OG1 2.86Å; T106-G108 PolarHBondContact O-N 3.49Å; T106-F109 PolarHBondContact O-N 2.94Å; T106-F109 VanDerWaalsContact O-N 3.11Å
107F80.9Confident87.6Confident144 Ų14476.3 Ų76.363%0.63239%0.387SS*.THydrogen-bonded Turntrans-47.3136.4175.8176.3-89.8000111.7F109F107-F109 VanDerWaalsContact C-N 3.33Å
108G78.6Confident87.2Confident23 Ų2374 Ų7424%0.23738%0.378CS..THydrogen-bonded Turntrans83.32.8-18000000114.6T106 E117 A118T106-G108 PolarHBondContact O-N 3.49Å; G108-E117 CarbonylContact O-C 3.53Å; G108-E117 VanDerWaalsContact O-CA 3.3Å; G108-E117 WeakPolarHBondContact O-CA 3.24Å; G108-A118 PolarHBondContact O-N 3.4Å
109F86.2Confident86.9Confident42 Ų4275.9 Ų75.918%0.18438%0.376CS..EExtended strand (participates in β ladder)trans-125.6150.5175-63.2-84.5000112.8F91 C105 T106 F107 C114 E116 E117F91-F109 HydrophobicContact CB-CB 3.91Å; F91-F109 HydrophobicContact CB-CD1 3.82Å; F91-F109 HydrophobicContact CB-CD2 3.38Å; F91-F109 HydrophobicContact CB-CE1 4.17Å; F91-F109 HydrophobicContact CB-CE2 3.76Å; F91-F109 HydrophobicContact CB-CG 3.4Å; F91-F109 HydrophobicContact CB-CZ 4.13Å; F91-F109 HydrophobicContact CD1-CD2 4.37Å; F91-F109 HydrophobicContact CD1-CE1 4.23Å; F91-F109 AromaticContact CD1-CE2 3.84Å; F91-F109 HydrophobicContact CD1-CE2 3.84Å; F91-F109 AromaticContact CD1-CZ 3.76Å; F91-F109 HydrophobicContact CD1-CZ 3.76Å; F91-F109 AromaticContact CD2-CD1 3.29Å; F91-F109 HydrophobicContact CD2-CD1 3.29Å; F91-F109 HydrophobicContact CD2-CD2 4.24Å; F91-F109 AromaticContact CD2-CE1 3.12Å; F91-F109 HydrophobicContact CD2-CE1 3.12Å; F91-F109 HydrophobicContact CD2-CE2 4.09Å; F91-F109 AromaticContact CD2-CG 3.86Å; F91-F109 HydrophobicContact CD2-CG 3.86Å; F91-F109 AromaticContact CD2-CZ 3.55Å; F91-F109 HydrophobicContact CD2-CZ 3.55Å; F91-F109 HydrophobicContact CE1-CE1 4.43Å; F91-F109 HydrophobicContact CE1-CE2 4.45Å; F91-F109 AromaticContact CE1-CZ 3.97Å; F91-F109 HydrophobicContact CE1-CZ 3.97Å; F91-F109 HydrophobicContact CE2-CD1 4.01Å; F91-F109 AromaticContact CE2-CE1 3.39Å; F91-F109 HydrophobicContact CE2-CE1 3.39Å; F91-F109 AromaticContact CE2-CZ 3.78Å; F91-F109 HydrophobicContact CE2-CZ 3.78Å; F91-F109 AromaticContact CG-CD1 3.72Å; F91-F109 HydrophobicContact CG-CD1 3.72Å; F91-F109 AromaticContact CG-CD2 3.77Å; F91-F109 HydrophobicContact CG-CD2 3.77Å; F91-F109 AromaticContact CG-CE1 3.59Å; F91-F109 HydrophobicContact CG-CE1 3.59Å; F91-F109 AromaticContact CG-CE2 3.63Å; F91-F109 HydrophobicContact CG-CE2 3.63Å; F91-F109 AromaticContact CG-CG 3.8Å; F91-F109 HydrophobicContact CG-CG 3.8Å; F91-F109 AromaticContact CG-CZ 3.53Å; F91-F109 HydrophobicContact CG-CZ 3.53Å; F91-F109 HydrophobicContact CZ-CE1 4.05Å; F91-F109 AromaticContact CZ-CZ 3.98Å; F91-F109 HydrophobicContact CZ-CZ 3.98Å; C105-F109 HydrophobicContact CB-CB 4.29Å; C105-F109 WeakPolarHBondContact CB-O 3.2Å; T106-F109 PolarHBondContact O-N 2.94Å; T106-F109 VanDerWaalsContact O-N 3.11Å; F107-F109 VanDerWaalsContact C-N 3.33Å; F109-C114 HydrophobicContact CB-CB 4.29Å; F109-E116 CarbonylContact C-O 3.59Å; F109-E116 WeakPolarHBondContact CA-O 3Å; F109-E117 HydrophobicContact CD1-CG 4.46Å; F109-E117 HydrophobicContact CE1-CG 4.11Å
110K87Confident86.6Confident79 Ų7968.5 Ų68.534%0.34334%0.337SS..EExtended strand (participates in β ladder)trans-144.2177179.968.6176.7-177.5172.60112.2C114 L115 E116 A118K110-C114 VanDerWaalsContact O-CA 3.27Å; K110-C114 WeakPolarHBondContact O-CA 3.25Å; K110-L115 PolarHBondContact O-N 2.98Å; K110-E116 WeakPolarHBondContact CE-OE2 3.22Å; K110-E116 HydrophobicContact CG-CB 3.75Å; K110-E116 PolarHBondContact N-O 2.96Å; K110-E116 PolarHBondContact O-N 2.88Å; K110-A118 HydrophobicContact CB-CB 4.19Å; K110-A118 HydrophobicContact CD-CB 4.4Å; K110-A118 HydrophobicContact CG-CB 4.31Å
111G89Confident86.4Confident29 Ų2969.2 Ų69.230%0.29934%0.339SS..THydrogen-bonded Turntrans92.1168.7178.900000112.9R113 C114G111-R113 PolarHBondContact O-N 3.03Å; G111-C114 PolarHBondContact O-N 3.4Å
112Q90.9Very high85.9Confident142 Ų14273.7 Ų73.766%0.66436%0.362SS*.THydrogen-bonded Turntrans-60.6-23-172.5-170.5179-7.800113.6Y101 C103Y101-Q112 HydrophobicContact CE2-CG 4.13Å; Y101-Q112 PolarHBondContact OH-NE2 3.47Å; Y101-Q112 VanDerWaalsContact OH-NE2 3.09Å; C103-Q112 PolarHBondContact SG-O 2.73Å
113R92.5Very high85.3Confident112 Ų11273.7 Ų73.742%0.42337%0.371SS..THydrogen-bonded Turntrans-117.15.6179-65.6-171.765.1177.8-3.4113.7G87 L88 V90 G111 L115G87-R113 PolarHBondContact O-NH2 3.08Å; L88-R113 HydrophobicContact CD1-CG 4.4Å; L88-R113 WeakPolarHBondContact O-CB 3.21Å; L88-R113 WeakPolarHBondContact O-CG 3.45Å; L88-R113 PolarHBondContact O-NE 2.8Å; V90-R113 PolarHBondContact N-O 3.19Å; G111-R113 PolarHBondContact O-N 3.03Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 HydrophobicContact CB-CD1 4.06Å; R113-L115 HydrophobicContact CB-CG 4.2Å; R113-L115 PolarHBondContact O-N 3.26Å
114C92.2Very high84.9Confident0 Ų078 Ų780%040%0.401CS..THydrogen-bonded Turntrans52.449.9-175.2-48.80000112.2F91 C103 C105 F109 K110 G111F91-C114 HydrophobicContact CB-CB 4.35Å; F91-C114 WeakPolarHBondContact CB-O 3.24Å; F91-C114 VanDerWaalsContact CD2-O 3.28Å; F91-C114 WeakPolarHBondContact CD2-O 3.01Å; F91-C114 PolarHBondContact N-O 3.42Å; F91-C114 VanDerWaalsContact O-CB 3.24Å; F91-C114 WeakPolarHBondContact O-CB 3Å; C103-C114 WeakPolarHBondContact CB-SG 3.29Å; C105-C114 WeakPolarHBondContact CA-SG 3.05Å; C105-C114 HydrophobicContact CB-CB 3.66Å; C105-C114 WeakPolarHBondContact CB-SG 3.36Å; C105-C114 WeakPolarHBondContact SG-CA 3.02Å; C105-C114 WeakPolarHBondContact SG-CB 3.4Å; C105-C114 CovalentContact SG-SG 2.03Å; C105-C114 PolarHBondContact SG-SG 3.24Å; F109-C114 HydrophobicContact CB-CB 4.29Å; K110-C114 VanDerWaalsContact O-CA 3.27Å; K110-C114 WeakPolarHBondContact O-CA 3.25Å; G111-C114 PolarHBondContact O-N 3.4Å
115L91.2Very high84.8Confident98 Ų9876.2 Ų76.251%0.51339%0.393SS..  trans-106.9-23.6179.6-84.1172.5000112.2V90 K110 R113V90-L115 HydrophobicContact CB-CD2 3.69Å; V90-L115 HydrophobicContact CB-CG 4.22Å; V90-L115 HydrophobicContact CG1-CD2 3.93Å; V90-L115 HydrophobicContact CG2-CD1 4.46Å; V90-L115 HydrophobicContact CG2-CD2 3.53Å; V90-L115 HydrophobicContact CG2-CG 3.92Å; K110-L115 PolarHBondContact O-N 2.98Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 HydrophobicContact CB-CD1 4.06Å; R113-L115 HydrophobicContact CB-CG 4.2Å; R113-L115 PolarHBondContact O-N 3.26Å
116E87.6Confident85Confident110 Ų11076 Ų7651%0.51439%0.392SS..EExtended strand (participates in β ladder)trans-87.7138.7-179.3-65.2168.7-134.200109.4F109 K110 A118F109-E116 CarbonylContact C-O 3.59Å; F109-E116 WeakPolarHBondContact CA-O 3Å; K110-E116 WeakPolarHBondContact CE-OE2 3.22Å; K110-E116 HydrophobicContact CG-CB 3.75Å; K110-E116 PolarHBondContact N-O 2.96Å; K110-E116 PolarHBondContact O-N 2.88Å; E116-A118 PolarHBondContact O-N 2.75Å
117E82.8Confident85.3Confident121 Ų12176.8 Ų76.857%0.56539%0.389SS*.EExtended strand (participates in β ladder)trans-70.7127.3170.3-70.1173.3173.500110.3G108 F109 K119G108-E117 CarbonylContact O-C 3.53Å; G108-E117 VanDerWaalsContact O-CA 3.3Å; G108-E117 WeakPolarHBondContact O-CA 3.24Å; F109-E117 HydrophobicContact CD1-CG 4.46Å; F109-E117 HydrophobicContact CE1-CG 4.11Å; E117-K119 PolarHBondContact O-N 3.08Å
118A78.4Confident85.9Confident18 Ų1873 Ų7315%0.14938%0.376CS..  trans-76.288.8170.100000108.6G108 K110 E116 G120G108-A118 PolarHBondContact O-N 3.4Å; K110-A118 HydrophobicContact CB-CB 4.19Å; K110-A118 HydrophobicContact CD-CB 4.4Å; K110-A118 HydrophobicContact CG-CB 4.31Å; E116-A118 PolarHBondContact O-N 2.75Å; A118-G120 PolarHBondContact O-N 3.01Å
119K73.1Confident86.6Confident138 Ų13878.7 Ų78.760%0.640%0.401SS*.  trans-67.471.1169.5-61.4-172.9-179.9-172.10110.4E117E117-K119 PolarHBondContact O-N 3.08Å
120G75Confident86.9Confident2 Ų277.2 Ų77.22%0.02140%0.398CS..SBendtrans-102.4-70.2179.800000110.4A118 P125A118-G120 PolarHBondContact O-N 3.01Å; G120-P125 WeakPolarHBondContact O-CD 3.01Å; G120-P125 WeakPolarHBondContact O-CG 3.16Å
121C82.3Confident87.2Confident31 Ų3178.1 Ų78.121%0.20941%0.405CS..SBendtrans-90.4-16.1-173.5-62.30000115L123 S124 C132 G134C121-L123 PolarHBondContact O-N 3.21Å; C121-S124 PolarHBondContact O-N 3.3Å; C121-C132 WeakPolarHBondContact CA-SG 3.47Å; C121-C132 HydrophobicContact CB-CB 3.67Å; C121-C132 WeakPolarHBondContact CB-SG 3.22Å; C121-C132 WeakPolarHBondContact SG-CB 3.37Å; C121-C132 PolarHBondContact SG-O 2.74Å; C121-C132 CovalentContact SG-SG 2.04Å; C121-C132 PolarHBondContact SG-SG 2.79Å; C121-G134 PolarHBondContact SG-N 2.78Å
122E80.4Confident87.2Confident151 Ų15178.4 Ų78.471%0.70640%0.402SS*.THydrogen-bonded Turntrans-61.9-32.3179.2-167.2178-168.600112.2S124E122-S124 PolarHBondContact O-N 3.18Å
123L80.9Confident87Confident135 Ų13574.1 Ų74.171%0.70739%0.386SS*.THydrogen-bonded Turntrans-82.26.3176.3-64.2176.6000113.7C121C121-L123 PolarHBondContact O-N 3.21Å
124S84.7Confident86.3Confident96 Ų9669.8 Ų69.867%0.67138%0.375SS*.  trans45.158.8-176.1-600000113C121 E122 C126C121-S124 PolarHBondContact O-N 3.3Å; E122-S124 PolarHBondContact O-N 3.18Å; S124-C126 PolarHBondContact O-N 3.41Å
125P89.5Confident85.6Confident22 Ų2273.5 Ų73.514%0.14340%0.395CS..  trans-74.8-10.4-169.933.8-40.7000114.4G120 Y139 K151G120-P125 WeakPolarHBondContact O-CD 3.01Å; G120-P125 WeakPolarHBondContact O-CG 3.16Å; P125-Y139 HydrophobicContact CB-CD1 4.46Å; P125-Y139 HydrophobicContact CB-CD2 4.09Å; P125-Y139 HydrophobicContact CB-CE1 3.83Å; P125-Y139 HydrophobicContact CB-CE2 3.42Å; P125-Y139 VanDerWaalsContact CB-CE2 3.42Å; P125-Y139 WeakPolarHBondContact CB-OH 3.3Å; P125-Y139 HydrophobicContact CG-CD1 3.97Å; P125-Y139 HydrophobicContact CG-CD2 3.35Å; P125-Y139 HydrophobicContact CG-CE1 3.85Å; P125-Y139 HydrophobicContact CG-CE2 3.22Å; P125-Y139 HydrophobicContact CG-CG 3.75Å; P125-Y139 VanDerWaalsContact CG-CZ 3.5Å; P125-K151 WeakPolarHBondContact O-CB 3.24Å
126C93.4Very high84.6Confident19 Ų1972.5 Ų72.513%0.12839%0.387CS..  trans-89.1127.8-179.5-53.60000109.8S124 G130 C132 C141S124-C126 PolarHBondContact O-N 3.41Å; C126-G130 VanDerWaalsContact CB-O 3.24Å; C126-G130 WeakPolarHBondContact CB-O 3.5Å; C126-C132 VanDerWaalsContact SG-CA 3.56Å; C126-C132 VanDerWaalsContact SG-CB 3.54Å; C126-C141 WeakPolarHBondContact CA-SG 3.47Å; C126-C141 HydrophobicContact CB-CB 3.77Å; C126-C141 WeakPolarHBondContact CB-SG 3.47Å; C126-C141 VanDerWaalsContact SG-CA 3.5Å; C126-C141 WeakPolarHBondContact SG-CB 3.26Å; C126-C141 CovalentContact SG-SG 2.02Å; C126-C141 PolarHBondContact SG-SG 3.29Å
127Q94.2Very high83.9Confident100 Ų10073.8 Ų73.847%0.46740%0.398SS..  trans-89.6168.4176.9-59.4-174.514.900110.8D129 G130 K151 C152Q127-D129 VanDerWaalsContact C-N 3.28Å; Q127-D129 PolarHBondContact O-N 2.04Å; Q127-G130 PolarHBondContact O-N 3.44Å; Q127-K151 PolarHBondContact N-O 3.23Å; Q127-C152 WeakPolarHBondContact O-CB 3.33Å
128N94.3Very high83.7Confident66 Ų6669 Ų6935%0.35338%0.381SS..THydrogen-bonded Turntrans52.444.5174.5-56.5-52.8000113.1G130 F147 C152N128-G130 PolarHBondContact O-N 2.84Å; N128-G130 VanDerWaalsContact O-N 3.14Å; N128-F147 HydrophobicContact CB-CD1 3.54Å; N128-F147 HydrophobicContact CB-CD2 3.98Å; N128-F147 HydrophobicContact CB-CE1 3.43Å; N128-F147 VanDerWaalsContact CB-CE1 3.43Å; N128-F147 HydrophobicContact CB-CE2 3.89Å; N128-F147 HydrophobicContact CB-CG 3.81Å; N128-F147 HydrophobicContact CB-CZ 3.62Å; N128-F147 VanDerWaalsContact CG-CD1 3.47Å; N128-F147 VanDerWaalsContact ND2-CD1 3.25Å; N128-F147 WeakPolarHBondContact ND2-CD1 3.06Å; N128-F147 VanDerWaalsContact ND2-CE1 3.3Å; N128-F147 WeakPolarHBondContact ND2-CE1 2.98Å; N128-C152 PolarHBondContact ND2-O 3.08Å
129D93Very high84Confident141 Ų14171.7 Ų71.775%0.75439%0.388SS*.THydrogen-bonded Turntrans56.926.7-179.2-55.6-47.9000114.5Q127 L144Q127-D129 VanDerWaalsContact C-N 3.28Å; Q127-D129 PolarHBondContact O-N 2.04Å; D129-L144 HydrophobicContact CB-CD1 3.77Å
130G93.6Very high84.8Confident12 Ų1271.7 Ų71.712%0.12438%0.384CS..PPolyproline II helixtrans-62.2138.4173.700000112.2C126 Q127 N128 C132 E142C126-G130 VanDerWaalsContact CB-O 3.24Å; C126-G130 WeakPolarHBondContact CB-O 3.5Å; Q127-G130 PolarHBondContact O-N 3.44Å; N128-G130 PolarHBondContact O-N 2.84Å; N128-G130 VanDerWaalsContact O-N 3.14Å; G130-C132 PolarHBondContact O-N 3.14Å; G130-E142 CarbonylContact C-O 3.58Å; G130-E142 WeakPolarHBondContact CA-O 3.41Å
131I92.8Very high85.6Confident98 Ų9872 Ų7250%0.50339%0.386SS..EExtended strand (participates in β ladder)trans-78.9119.7179.8-59171.2000108.7C141 E142I131-C141 CarbonylContact O-C 3.6Å; I131-C141 WeakPolarHBondContact O-CA 2.9Å; I131-E142 HydrophobicContact CB-CB 4.24Å; I131-E142 PolarHBondContact N-O 3Å; I131-E142 PolarHBondContact O-N 3.42Å
132C89.4Confident86.2Confident35 Ų3574.8 Ų74.824%0.23640%0.396CS..EExtended strand (participates in β ladder)trans-82.3123.2176.3-171.20000111.5C121 C126 G130C121-C132 WeakPolarHBondContact CA-SG 3.47Å; C121-C132 HydrophobicContact CB-CB 3.67Å; C121-C132 WeakPolarHBondContact CB-SG 3.22Å; C121-C132 WeakPolarHBondContact SG-CB 3.37Å; C121-C132 PolarHBondContact SG-O 2.74Å; C121-C132 CovalentContact SG-SG 2.04Å; C121-C132 PolarHBondContact SG-SG 2.79Å; C126-C132 VanDerWaalsContact SG-CA 3.56Å; C126-C132 VanDerWaalsContact SG-CB 3.54Å; G130-C132 PolarHBondContact O-N 3.14Å
133V85.9Confident86.9Confident52 Ų5269.8 Ų69.832%0.31538%0.377SS..EExtended strand (participates in β ladder)trans-109.3113.8174.3-174.70000108.4Y139 R140 E142V133-Y139 CarbonylContact O-C 3.45Å; V133-Y139 VanDerWaalsContact O-CA 3.24Å; V133-Y139 WeakPolarHBondContact O-CA 3.27Å; V133-R140 PolarHBondContact N-O 2.95Å; V133-R140 PolarHBondContact O-N 2.95Å; V133-E142 HydrophobicContact CG2-CG 4.03Å
134G77.6Confident87.5Confident20 Ų2067.3 Ų67.321%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-68.2139.2173.700000111.6C121C121-G134 PolarHBondContact SG-N 2.78Å
135L77.2Confident87.8Confident78 Ų7869.9 Ų69.941%0.40838%0.376SS..EExtended strand (participates in β ladder)trans-122166.2-179.7-64.2176.5000110.4D137 G138 R140L135-D137 PolarHBondContact O-N 3.04Å; L135-D137 VanDerWaalsContact O-N 3.15Å; L135-G138 PolarHBondContact N-O 3.14Å; L135-G138 PolarHBondContact O-N 3.26Å; L135-R140 HydrophobicContact CD1-CB 3.73Å; L135-R140 HydrophobicContact CG-CB 4.36Å
136H71.2Confident87.9Confident77 Ų7770.1 Ų70.136%0.35638%0.383SS..THydrogen-bonded Turntrans-55.8-30.6178.7-178.563.7000113.3C103 C105C103-H136 PolarHBondContact O-CE1 3.38Å; C105-H136 PolarHBondContact SG-CE1 2.77Å
137D71.5Confident87.9Confident138 Ų13872 Ų7274%0.73839%0.389SS*.THydrogen-bonded Turntrans-123.522.9-178.162.7-22.3000113.3L135L135-D137 PolarHBondContact O-N 3.04Å; L135-D137 VanDerWaalsContact O-N 3.15Å
138G78.8Confident87.8Confident21 Ų2169 Ų6922%0.21638%0.377CS..EExtended strand (participates in β ladder)trans151.3-127176.600000114L135L135-G138 PolarHBondContact N-O 3.14Å; L135-G138 PolarHBondContact O-N 3.26Å
139Y84.7Confident87.6Confident73 Ų7367.3 Ų67.329%0.28638%0.375SS..EExtended strand (participates in β ladder)trans-148.2161.2178.470.4-85.3000111.1P125 V133 K151P125-Y139 HydrophobicContact CB-CD1 4.46Å; P125-Y139 HydrophobicContact CB-CD2 4.09Å; P125-Y139 HydrophobicContact CB-CE1 3.83Å; P125-Y139 HydrophobicContact CB-CE2 3.42Å; P125-Y139 VanDerWaalsContact CB-CE2 3.42Å; P125-Y139 WeakPolarHBondContact CB-OH 3.3Å; P125-Y139 HydrophobicContact CG-CD1 3.97Å; P125-Y139 HydrophobicContact CG-CD2 3.35Å; P125-Y139 HydrophobicContact CG-CE1 3.85Å; P125-Y139 HydrophobicContact CG-CE2 3.22Å; P125-Y139 HydrophobicContact CG-CG 3.75Å; P125-Y139 VanDerWaalsContact CG-CZ 3.5Å; V133-Y139 CarbonylContact O-C 3.45Å; V133-Y139 VanDerWaalsContact O-CA 3.24Å; V133-Y139 WeakPolarHBondContact O-CA 3.27Å; Y139-K151 WeakPolarHBondContact OH-CE 2.86Å
140R90.1Very high87.6Confident138 Ų13864.5 Ų64.552%0.52137%0.372SS..EExtended strand (participates in β ladder)trans-132.4142.2168.8169.5176.8-176.5-90-6.2109V133 L135 E142V133-R140 PolarHBondContact N-O 2.95Å; V133-R140 PolarHBondContact O-N 2.95Å; L135-R140 HydrophobicContact CD1-CB 3.73Å; L135-R140 HydrophobicContact CG-CB 4.36Å; R140-E142 IonicContact NH1-OE1 3.6Å
141C92.9Very high87.6Confident8 Ų868.3 Ų68.35%0.05439%0.385CS..EExtended strand (participates in β ladder)trans-94.4133.8173.1-58.40000111.2C126 I131 C152C126-C141 WeakPolarHBondContact CA-SG 3.47Å; C126-C141 HydrophobicContact CB-CB 3.77Å; C126-C141 WeakPolarHBondContact CB-SG 3.47Å; C126-C141 VanDerWaalsContact SG-CA 3.5Å; C126-C141 WeakPolarHBondContact SG-CB 3.26Å; C126-C141 CovalentContact SG-SG 2.02Å; C126-C141 PolarHBondContact SG-SG 3.29Å; I131-C141 CarbonylContact O-C 3.6Å; I131-C141 WeakPolarHBondContact O-CA 2.9Å; C141-C152 WeakPolarHBondContact CB-SG 3.44Å
142E94.6Very high87.7Confident91 Ų9163.7 Ų63.743%0.42536%0.361SS..EExtended strand (participates in β ladder)trans-94.8112.8163.1-66-172.3167.200108.8G130 I131 V133 R140G130-E142 CarbonylContact C-O 3.58Å; G130-E142 WeakPolarHBondContact CA-O 3.41Å; I131-E142 HydrophobicContact CB-CB 4.24Å; I131-E142 PolarHBondContact N-O 3Å; I131-E142 PolarHBondContact O-N 3.42Å; V133-E142 HydrophobicContact CG2-CG 4.03Å; R140-E142 IonicContact NH1-OE1 3.6Å
143C94.5Very high87.9Confident46 Ų4665.6 Ų65.631%0.31137%0.367SS..PPolyproline II helixtrans-82.1136.4-175.5-51.20000111.1F147 C152C143-F147 HydrophobicContact CB-CB 4.17Å; C143-F147 WeakPolarHBondContact CB-O 3.16Å; C143-C152 WeakPolarHBondContact CA-SG 2.94Å; C143-C152 HydrophobicContact CB-CB 3.71Å; C143-C152 WeakPolarHBondContact CB-SG 3Å; C143-C152 PolarHBondContact N-SG 2.99Å; C143-C152 VanDerWaalsContact N-SG 3.44Å; C143-C152 WeakPolarHBondContact SG-CA 3.41Å; C143-C152 WeakPolarHBondContact SG-CB 3.28Å; C143-C152 CovalentContact SG-SG 2.04Å; C143-C152 PolarHBondContact SG-SG 3.34Å
144L93.3Very high88.2Confident82 Ų8267.7 Ų67.743%0.42938%0.376SS..PPolyproline II helixtrans-62.4157.6167.7-66.9176.3000110.5D129 G146 F147D129-L144 HydrophobicContact CB-CD1 3.77Å; L144-G146 PolarHBondContact O-N 2.91Å; L144-F147 PolarHBondContact O-N 2.82Å; L144-F147 VanDerWaalsContact O-N 3.08Å
145T91Very high88.7Confident150 Ų15072 Ų7292%0.9239%0.394SS*.THydrogen-bonded Turntrans-51.4131.1176.7-55.70000110.4
146G91.2Very high89.1Confident28 Ų2873.6 Ų73.629%0.28940%0.395SS..THydrogen-bonded Turntrans94.3-1.9-178.300000114.5L144 L155 Y156L144-G146 PolarHBondContact O-N 2.91Å; G146-L155 CarbonylContact O-C 3.49Å; G146-Y156 VanDerWaalsContact C-CB 3.48Å; G146-Y156 WeakPolarHBondContact O-CB 3.41Å; G146-Y156 PolarHBondContact O-N 3.25Å
147F93.9Very high89.6Confident58 Ų5872.5 Ų72.525%0.25439%0.394SS..EExtended strand (participates in β ladder)trans-125155.7175.3-62.5-84000112.9N128 C143 L144 C152 L154 L155N128-F147 HydrophobicContact CB-CD1 3.54Å; N128-F147 HydrophobicContact CB-CD2 3.98Å; N128-F147 HydrophobicContact CB-CE1 3.43Å; N128-F147 VanDerWaalsContact CB-CE1 3.43Å; N128-F147 HydrophobicContact CB-CE2 3.89Å; N128-F147 HydrophobicContact CB-CG 3.81Å; N128-F147 HydrophobicContact CB-CZ 3.62Å; N128-F147 VanDerWaalsContact CG-CD1 3.47Å; N128-F147 VanDerWaalsContact ND2-CD1 3.25Å; N128-F147 WeakPolarHBondContact ND2-CD1 3.06Å; N128-F147 VanDerWaalsContact ND2-CE1 3.3Å; N128-F147 WeakPolarHBondContact ND2-CE1 2.98Å; C143-F147 HydrophobicContact CB-CB 4.17Å; C143-F147 WeakPolarHBondContact CB-O 3.16Å; L144-F147 PolarHBondContact O-N 2.82Å; L144-F147 VanDerWaalsContact O-N 3.08Å; F147-C152 HydrophobicContact CB-CB 4.36Å; F147-L154 CarbonylContact C-O 3.56Å; F147-L154 WeakPolarHBondContact CA-O 3.29Å; F147-L155 HydrophobicContact CD1-CD2 3.89Å; F147-L155 HydrophobicContact CE1-CD2 3.35Å; F147-L155 HydrophobicContact CE1-CG 4.3Å; F147-L155 HydrophobicContact CZ-CD2 3.91Å
148T91.8Very high89.7Confident37 Ų3771 Ų7123%0.22739%0.391CS..EExtended strand (participates in β ladder)trans-153.6-179.7178.8-163.50000110.8C152 E153 L154T148-C152 CarbonylContact O-C 3.43Å; T148-C152 VanDerWaalsContact O-C 3.28Å; T148-C152 VanDerWaalsContact O-CA 3.27Å; T148-C152 WeakPolarHBondContact O-CA 3.46Å; T148-E153 PolarHBondContact O-N 2.02Å; T148-L154 HydrophobicContact CG2-CB 3.72Å; T148-L154 HydrophobicContact CG2-CD1 4.32Å; T148-L154 PolarHBondContact N-O 3.13Å; T148-L154 WeakPolarHBondContact O-CB 3.18Å; T148-L154 PolarHBondContact O-N 3.33Å
149G91.3Very high89.3Confident30 Ų3077.6 Ų77.631%0.30942%0.417SS..SBendtrans99.6172.5-17200000112.9K151G149-K151 VanDerWaalsContact C-N 3.31Å
150A91.7Very high88.4Confident82 Ų8276.8 Ų76.868%0.67842%0.416SS*.SBendtrans-72.7-27.8-176.300000112.4E153A150-E153 PolarHBondContact N-OE2 3.41Å
151K93.3Very high87.2Confident93 Ų9371.2 Ų71.240%0.40440%0.399SS..SBendtrans-113.912.6176.7-60.1-177.8-178.1-175.40112P125 Q127 Y139 G149 E153P125-K151 WeakPolarHBondContact O-CB 3.24Å; Q127-K151 PolarHBondContact N-O 3.23Å; Y139-K151 WeakPolarHBondContact OH-CE 2.86Å; G149-K151 VanDerWaalsContact C-N 3.31Å; K151-E153 VanDerWaalsContact CA-OE2 3.22Å; K151-E153 WeakPolarHBondContact CA-OE2 3.3Å; K151-E153 WeakPolarHBondContact CB-OE2 3.3Å; K151-E153 PolarHBondContact N-OE2 3.44Å; K151-E153 PolarHBondContact O-N 3.25Å
152C94.8Very high85.9Confident0 Ų076.7 Ų76.70%043%0.432CS..SBendtrans61.725.6-174.5-49.60000114.3Q127 N128 C141 C143 F147 T148Q127-C152 WeakPolarHBondContact O-CB 3.33Å; N128-C152 PolarHBondContact ND2-O 3.08Å; C141-C152 WeakPolarHBondContact CB-SG 3.44Å; C143-C152 WeakPolarHBondContact CA-SG 2.94Å; C143-C152 HydrophobicContact CB-CB 3.71Å; C143-C152 WeakPolarHBondContact CB-SG 3Å; C143-C152 PolarHBondContact N-SG 2.99Å; C143-C152 VanDerWaalsContact N-SG 3.44Å; C143-C152 WeakPolarHBondContact SG-CA 3.41Å; C143-C152 WeakPolarHBondContact SG-CB 3.28Å; C143-C152 CovalentContact SG-SG 2.04Å; C143-C152 PolarHBondContact SG-SG 3.34Å; F147-C152 HydrophobicContact CB-CB 4.36Å; T148-C152 CarbonylContact O-C 3.43Å; T148-C152 VanDerWaalsContact O-C 3.28Å; T148-C152 VanDerWaalsContact O-CA 3.27Å; T148-C152 WeakPolarHBondContact O-CA 3.46Å
153E94.2Very high84.4Confident76 Ų7681.5 Ų81.536%0.35545%0.452SS..  trans-78.2-16.4-175.870.3-82.4-157.600113.9T148 A150 K151T148-E153 PolarHBondContact O-N 2.02Å; A150-E153 PolarHBondContact N-OE2 3.41Å; K151-E153 VanDerWaalsContact CA-OE2 3.22Å; K151-E153 WeakPolarHBondContact CA-OE2 3.3Å; K151-E153 WeakPolarHBondContact CB-OE2 3.3Å; K151-E153 PolarHBondContact N-OE2 3.44Å; K151-E153 PolarHBondContact O-N 3.25Å
154L91.7Very high82.9Confident95 Ų9583.6 Ų83.650%0.49746%0.463SS..EExtended strand (participates in β ladder)trans-100138.1-177.2-55.3177.7000110.4F147 T148F147-L154 CarbonylContact C-O 3.56Å; F147-L154 WeakPolarHBondContact CA-O 3.29Å; T148-L154 HydrophobicContact CG2-CB 3.72Å; T148-L154 HydrophobicContact CG2-CD1 4.32Å; T148-L154 PolarHBondContact N-O 3.13Å; T148-L154 WeakPolarHBondContact O-CB 3.18Å; T148-L154 PolarHBondContact O-N 3.33Å
155L90Very high81.3Confident112 Ų11282.2 Ų82.259%0.58647%0.469SS*.EExtended strand (participates in β ladder)trans-69.1142.2164.9-69.8167000109.5G146 F147 M160G146-L155 CarbonylContact O-C 3.49Å; F147-L155 HydrophobicContact CD1-CD2 3.89Å; F147-L155 HydrophobicContact CE1-CD2 3.35Å; F147-L155 HydrophobicContact CE1-CG 4.3Å; F147-L155 HydrophobicContact CZ-CD2 3.91Å; L155-M160 WeakPolarHBondContact O-CE 3.35Å
156Y85.5Confident79.7Confident110 Ų11079 Ų7943%0.43145%0.448SS..  trans-88.6111.6170.6-176.2-90.5000108.3G146 A161G146-Y156 VanDerWaalsContact C-CB 3.48Å; G146-Y156 WeakPolarHBondContact O-CB 3.41Å; G146-Y156 PolarHBondContact O-N 3.25Å; Y156-A161 HydrophobicContact CE2-CB 4.1Å; Y156-A161 WeakPolarHBondContact OH-CB 2.97Å
157T81.1Confident77.9Confident54 Ų5485.9 Ų85.933%0.33147%0.471SS..  trans-118.7151.1168.198.40000107.7E159 M160T157-E159 PolarHBondContact O-N 3.33Å; T157-E159 VanDerWaalsContact O-N 3.08Å; T157-M160 VanDerWaalsContact C-SD 3.54Å; T157-M160 VanDerWaalsContact CA-SD 3.5Å; T157-M160 VanDerWaalsContact CB-CE 3.43Å; T157-M160 WeakPolarHBondContact CB-SD 3.38Å; T157-M160 HydrophobicContact CG2-CE 3.16Å; T157-M160 HydrophobicContact CG2-SD 3.91Å; T157-M160 PolarHBondContact N-SD 2.79Å; T157-M160 WeakPolarHBondContact O-CG 3.45Å; T157-M160 PolarHBondContact O-N 3.38Å; T157-M160 VanDerWaalsContact O-N 3.15Å; T157-M160 VanDerWaalsContact OG1-CE 3.31Å; T157-M160 WeakPolarHBondContact OG1-CE 3.2Å; T157-M160 PolarHBondContact OG1-SD 2.79Å
158P72.7Confident76Confident107 Ų10785.5 Ų85.570%0.69548%0.483SS*.Hα-helixtrans-58.6-23.7-175.117.5-29.7000113.8
159E72.1Confident73.8Confident160 Ų16093.6 Ų93.675%0.74852%0.515SS*.Hα-helixtrans-69.9-34.1177.9-68.1-175.2159.600113.2T157T157-E159 PolarHBondContact O-N 3.33Å; T157-E159 VanDerWaalsContact O-N 3.08Å
160M65.9Low71.5Confident56 Ų5698.2 Ų98.228%0.27654%0.537SS..Hα-helixtrans-81.9-23178.343.6-78.3-129.800113.7L155 T157 V162 K163 V164L155-M160 WeakPolarHBondContact O-CE 3.35Å; T157-M160 VanDerWaalsContact C-SD 3.54Å; T157-M160 VanDerWaalsContact CA-SD 3.5Å; T157-M160 VanDerWaalsContact CB-CE 3.43Å; T157-M160 WeakPolarHBondContact CB-SD 3.38Å; T157-M160 HydrophobicContact CG2-CE 3.16Å; T157-M160 HydrophobicContact CG2-SD 3.91Å; T157-M160 PolarHBondContact N-SD 2.79Å; T157-M160 WeakPolarHBondContact O-CG 3.45Å; T157-M160 PolarHBondContact O-N 3.38Å; T157-M160 VanDerWaalsContact O-N 3.15Å; T157-M160 VanDerWaalsContact OG1-CE 3.31Å; T157-M160 WeakPolarHBondContact OG1-CE 3.2Å; T157-M160 PolarHBondContact OG1-SD 2.79Å; M160-V162 PolarHBondContact O-N 2.83Å; M160-V162 VanDerWaalsContact O-N 3.12Å; M160-K163 PolarHBondContact O-N 3.27Å; M160-V164 PolarHBondContact O-N 3.49Å
161A63Low69.1Low20 Ų20101.9 Ų101.917%0.16554%0.544CS..Hα-helixtrans-54.4-32.8173.500000111.4Y156 G165Y156-A161 HydrophobicContact CE2-CB 4.1Å; Y156-A161 WeakPolarHBondContact OH-CB 2.97Å; A161-G165 PolarHBondContact O-N 3.49Å
162V67.3Low67.1Low123 Ų123101 Ų10175%0.74555%0.549SS*.Hα-helixtrans-65.2-41.3174.6-174.40000112M160M160-V162 PolarHBondContact O-N 2.83Å; M160-V162 VanDerWaalsContact O-N 3.12Å
163K61.3Low65.3Low192 Ų192105.4 Ų105.484%0.83558%0.584SS**Hα-helixtrans-76.6-35.7-178.5-71.8-177.7179.91740113.3M160 G165M160-K163 PolarHBondContact O-N 3.27Å; K163-G165 VanDerWaalsContact C-N 3.27Å; K163-G165 PolarHBondContact O-N 2.04Å
164V64.4Low63.5Low91 Ų91109 Ų10955%0.55261%0.606SS**Hα-helixtrans-83.1-6.6-178-176.50000111.9M160 V166M160-V164 PolarHBondContact O-N 3.49Å; V164-V166 HydrophobicContact CB-CG2 4.28Å; V164-V166 HydrophobicContact CG1-CG2 3.97Å; V164-V166 PolarHBondContact O-N 3.29Å; V164-V166 VanDerWaalsContact O-N 3.16Å
165G58.6Low61.9Low53 Ų53107.5 Ų107.555%0.54660%0.604SS.*THydrogen-bonded Turntrans59.530.7175.500000112.4A161 K163 K167A161-G165 PolarHBondContact O-N 3.49Å; K163-G165 VanDerWaalsContact C-N 3.27Å; K163-G165 PolarHBondContact O-N 2.04Å; G165-K167 PolarHBondContact O-N 2.75Å
166V59Low61.1Low81 Ų81108.4 Ų108.449%0.49161%0.608SS.*  trans-65.396.9168.3-175.10000105V164 G168V164-V166 HydrophobicContact CB-CG2 4.28Å; V164-V166 HydrophobicContact CG1-CG2 3.97Å; V164-V166 PolarHBondContact O-N 3.29Å; V164-V166 VanDerWaalsContact O-N 3.16Å; V166-G168 PolarHBondContact O-N 3.14Å
167K53.1Low60.4Low174 Ų174105 Ų10576%0.75761%0.606SS**  trans-62.690.4162.8-68.5-175.8-177.5-1800104.7G165 K169G165-K167 PolarHBondContact O-N 2.75Å; K167-K169 PolarHBondContact O-N 3.48Å
168G53.6Low60.1Low49 Ų49104 Ų10451%0.50561%0.607SS.*  trans-45.6120.2165.800000105.5V166 T170V166-G168 PolarHBondContact O-N 3.14Å; G168-T170 PolarHBondContact O-N 3.4Å
169K46.2Very low60.4Low208 Ų208104.1 Ų104.190%0.90460%0.6SS**  trans-70.367.5169.7-71.6179.5179.6175.60106.8K167 L171K167-K169 PolarHBondContact O-N 3.48Å; K169-L171 VanDerWaalsContact C-N 3.27Å; K169-L171 PolarHBondContact O-N 3.49Å
170T41.5Very low61Low126 Ų126101.4 Ų101.477%0.77359%0.59SS**  trans-91.976.3159.542.50000106.3G168 P172G168-T170 PolarHBondContact O-N 3.4Å; T170-P172 WeakPolarHBondContact O-CD 3.01Å
171L42.5Very low61.9Low159 Ų159104.6 Ų104.683%0.83261%0.607SS**  trans-109.685157.5-92.5151.6000107.3K169K169-L171 VanDerWaalsContact C-N 3.27Å; K169-L171 PolarHBondContact O-N 3.49Å
172P50.1Low63Low76 Ų76109.2 Ų109.249%0.49463%0.628SS.*  trans-82.3103.314926.6-17.7000107T170 D174 S175T170-P172 WeakPolarHBondContact O-CD 3.01Å; P172-D174 PolarHBondContact O-N 3.45Å; P172-S175 PolarHBondContact O-N 3.31Å; P172-S175 PolarHBondContact O-OG 3.15Å
173A57.1Low63.9Low91 Ų91106.1 Ų106.175%0.75261%0.611SS**THydrogen-bonded Turntrans-62.71.817200000113.5
174D56Low65.2Low153 Ų153102.3 Ų102.382%0.81860%0.6SS**THydrogen-bonded Turntrans-99.49.1176.3-60.4-27.3000113.5P172 I176P172-D174 PolarHBondContact O-N 3.45Å; D174-I176 PolarHBondContact O-N 3.05Å
175S59.5Low66.3Low63 Ų6399.5 Ų99.544%0.44159%0.589SS.*SBendtrans-75.7125.4175.9-60.80000110.3P172 G177 G178P172-S175 PolarHBondContact O-N 3.31Å; P172-S175 PolarHBondContact O-OG 3.15Å; S175-G177 PolarHBondContact O-N 3.13Å; S175-G178 PolarHBondContact O-N 3.17Å
176I72.6Confident67.9Low131 Ų131100.1 Ų100.167%0.67258%0.584SS**Hα-helixtrans-34.8-33.3174.6-64161.6000113.8D174 G178 I179 L180D174-I176 PolarHBondContact O-N 3.05Å; I176-G178 PolarHBondContact O-N 2.74Å; I176-I179 PolarHBondContact O-N 3.44Å; I176-L180 HydrophobicContact CG2-CD1 4.17Å; I176-L180 HydrophobicContact CG2-CG 4.33Å; I176-L180 WeakPolarHBondContact O-CG 3.23Å; I176-L180 PolarHBondContact O-N 3.23Å
177G71.8Confident69.4Low38 Ų38101.6 Ų101.639%0.39259%0.589SS.*Hα-helixtrans-58-38.2174.100000115.2S175 L180 I181S175-G177 PolarHBondContact O-N 3.13Å; G177-L180 PolarHBondContact O-N 2.93Å; G177-I181 WeakPolarHBondContact O-CD1 2.88Å; G177-I181 VanDerWaalsContact O-CG1 3.26Å; G177-I181 WeakPolarHBondContact O-CG1 3.13Å; G177-I181 PolarHBondContact O-N 3.08Å
178G73Confident71.1Confident34 Ų3498.1 Ų98.135%0.35158%0.582SS.*Hα-helixtrans-65.4-41.1176.800000112.2S175 I176 I181 I182S175-G178 PolarHBondContact O-N 3.17Å; I176-G178 PolarHBondContact O-N 2.74Å; G178-I181 PolarHBondContact O-N 3.07Å; G178-I182 WeakPolarHBondContact O-CG1 3.35Å; G178-I182 PolarHBondContact O-N 3.04Å
179I80.6Confident72.6Confident109 Ų109100.7 Ų100.756%0.55958%0.583SS**Hα-helixtrans-65.5-42.4176.7-59.5173.6000110.5I176 I181 I182 S183I176-I179 PolarHBondContact O-N 3.44Å; I179-I181 VanDerWaalsContact C-N 3.35Å; I179-I181 PolarHBondContact O-N 3.1Å; I179-I182 PolarHBondContact O-N 3.47Å; I179-S183 WeakPolarHBondContact O-CB 3.29Å; I179-S183 PolarHBondContact O-N 2.03Å; I179-S183 PolarHBondContact O-OG 2.82Å
180L84.4Confident74.5Confident102 Ų10295.8 Ų95.853%0.53457%0.566SS.*Hα-helixtrans-62.2-41.1176.2-69.2175.9000112I176 G177 S183 L184I176-L180 HydrophobicContact CG2-CD1 4.17Å; I176-L180 HydrophobicContact CG2-CG 4.33Å; I176-L180 WeakPolarHBondContact O-CG 3.23Å; I176-L180 PolarHBondContact O-N 3.23Å; G177-L180 PolarHBondContact O-N 2.93Å; L180-S183 PolarHBondContact O-N 3.09Å; L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 2.76Å
181I85.1Confident76.5Confident123 Ų12392.3 Ų92.363%0.63155%0.55SS*.Hα-helixtrans-64.9-45.5178.1-68.6164.9000111.1G177 G178 I179 S183 L184 G185G177-I181 WeakPolarHBondContact O-CD1 2.88Å; G177-I181 VanDerWaalsContact O-CG1 3.26Å; G177-I181 WeakPolarHBondContact O-CG1 3.13Å; G177-I181 PolarHBondContact O-N 3.08Å; G178-I181 PolarHBondContact O-N 3.07Å; I179-I181 VanDerWaalsContact C-N 3.35Å; I179-I181 PolarHBondContact O-N 3.1Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-S183 PolarHBondContact O-N 3.4Å; I181-L184 PolarHBondContact O-N 3.34Å; I181-G185 PolarHBondContact O-N 3.34Å
182I84.5Confident78.3Confident118 Ų11887.9 Ų87.961%0.60554%0.536SS*.Hα-helixtrans-62.7-43.2177.2-66.3166.4000110.1G178 I179 G185 C186G178-I182 WeakPolarHBondContact O-CG1 3.35Å; G178-I182 PolarHBondContact O-N 3.04Å; I179-I182 PolarHBondContact O-N 3.47Å; I182-G185 PolarHBondContact O-N 3.17Å; I182-C186 PolarHBondContact O-N 3.04Å; I182-C186 PolarHBondContact O-SG 3.13Å; I182-C186 VanDerWaalsContact O-SG 3.42Å
183S86.6Confident79.8Confident57 Ų5790.2 Ų90.240%0.39954%0.543SS..Hα-helixtrans-62.8-45.8179.6-570000111.9I179 L180 I181 G185 C186 L187I179-S183 WeakPolarHBondContact O-CB 3.29Å; I179-S183 PolarHBondContact O-N 2.03Å; I179-S183 PolarHBondContact O-OG 2.82Å; L180-S183 PolarHBondContact O-N 3.09Å; I181-S183 VanDerWaalsContact C-N 3.33Å; I181-S183 PolarHBondContact O-N 3.4Å; S183-G185 PolarHBondContact O-N 3.11Å; S183-C186 PolarHBondContact O-N 3.13Å; S183-L187 WeakPolarHBondContact O-CG 3.47Å; S183-L187 PolarHBondContact O-N 3.39Å
184L88.9Confident80.8Confident113 Ų11390.4 Ų90.459%0.59254%0.539SS*.Hα-helixtrans-63.6-40.5175.8-71.5171.1000111.8L180 I181 L187 V188L180-L184 WeakPolarHBondContact O-CB 3.37Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 2.76Å; I181-L184 PolarHBondContact O-N 3.34Å; L184-L187 PolarHBondContact O-N 3.43Å; L184-V188 WeakPolarHBondContact O-CG2 3.19Å; L184-V188 PolarHBondContact O-N 3.26Å; L184-V188 VanDerWaalsContact O-N 3.11Å
185G87.7Confident81.4Confident31 Ų3186.6 Ų86.632%0.3253%0.529SS..Hα-helixtrans-60.9-46.2175.500000112.6I181 I182 S183 L187 V188 I189I181-G185 PolarHBondContact O-N 3.34Å; I182-G185 PolarHBondContact O-N 3.17Å; S183-G185 PolarHBondContact O-N 3.11Å; G185-L187 VanDerWaalsContact C-N 3.34Å; G185-L187 PolarHBondContact O-N 2.86Å; G185-V188 PolarHBondContact O-N 2.96Å; G185-I189 WeakPolarHBondContact O-CG1 3.31Å; G185-I189 PolarHBondContact O-N 3.05Å; G185-I189 VanDerWaalsContact O-N 3.09Å
186C91.3Very high81.3Confident66 Ų6686.2 Ų86.245%0.44653%0.534SS..Hα-helixtrans-59.5-43175-75.20000112I182 S183 V188 I189 I190I182-C186 PolarHBondContact O-N 3.04Å; I182-C186 PolarHBondContact O-SG 3.13Å; I182-C186 VanDerWaalsContact O-SG 3.42Å; S183-C186 PolarHBondContact O-N 3.13Å; C186-V188 PolarHBondContact O-N 2.76Å; C186-I189 PolarHBondContact O-N 3.48Å; C186-I190 WeakPolarHBondContact O-CB 3.43Å; C186-I190 WeakPolarHBondContact O-CD1 3.27Å; C186-I190 WeakPolarHBondContact O-CG1 3.22Å; C186-I190 PolarHBondContact O-N 2.76Å
187L90.9Very high80.2Confident112 Ų11291.8 Ų91.859%0.58655%0.547SS*.Hα-helixtrans-61.4-42.1177.8-73173.8000112.4S183 L184 G185 I190 A191S183-L187 WeakPolarHBondContact O-CG 3.47Å; S183-L187 PolarHBondContact O-N 3.39Å; L184-L187 PolarHBondContact O-N 3.43Å; G185-L187 VanDerWaalsContact C-N 3.34Å; G185-L187 PolarHBondContact O-N 2.86Å; L187-I190 PolarHBondContact O-N 2.9Å; L187-A191 VanDerWaalsContact O-CB 3.26Å; L187-A191 WeakPolarHBondContact O-CB 3.04Å; L187-A191 PolarHBondContact O-N 2.85Å
188V88.7Confident78.9Confident101 Ų10194.9 Ų94.961%0.61256%0.563SS**Hα-helixtrans-65.3-40.4177.5174.70000111.4L184 G185 C186 A191 A192L184-V188 WeakPolarHBondContact O-CG2 3.19Å; L184-V188 PolarHBondContact O-N 3.26Å; L184-V188 VanDerWaalsContact O-N 3.11Å; G185-V188 PolarHBondContact O-N 2.96Å; C186-V188 PolarHBondContact O-N 2.76Å; V188-A191 PolarHBondContact O-N 2.65Å; V188-A192 WeakPolarHBondContact O-CB 3.38Å; V188-A192 PolarHBondContact O-N 2.8Å
189I86.3Confident77.9Confident104 Ų10499 Ų9953%0.53359%0.593SS.*Hα-helixtrans-67.8-43.9178.3-65.9168.4000110.6G185 C186 A191 A192 I193G185-I189 WeakPolarHBondContact O-CG1 3.31Å; G185-I189 PolarHBondContact O-N 3.05Å; G185-I189 VanDerWaalsContact O-N 3.09Å; C186-I189 PolarHBondContact O-N 3.48Å; I189-A191 VanDerWaalsContact C-N 3.33Å; I189-A191 PolarHBondContact O-N 3.34Å; I189-A192 PolarHBondContact O-N 2.01Å; I189-I193 HydrophobicContact CG2-CD1 3.82Å; I189-I193 HydrophobicContact CG2-CG1 4.44Å; I189-I193 VanDerWaalsContact O-CG1 3.31Å; I189-I193 WeakPolarHBondContact O-CG1 3.39Å; I189-I193 PolarHBondContact O-N 2.98Å
190I85.9Confident76.5Confident105 Ų10596.7 Ų96.754%0.53860%0.597SS.*Hα-helixtrans-62.2-42.5175.5-67.5165.3000110.4C186 L187 A192 I193 S194C186-I190 WeakPolarHBondContact O-CB 3.43Å; C186-I190 WeakPolarHBondContact O-CD1 3.27Å; C186-I190 WeakPolarHBondContact O-CG1 3.22Å; C186-I190 PolarHBondContact O-N 2.76Å; L187-I190 PolarHBondContact O-N 2.9Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 3.36Å; I190-I193 PolarHBondContact O-N 2.96Å; I190-S194 WeakPolarHBondContact O-CB 3.02Å; I190-S194 PolarHBondContact O-N 3.24Å; I190-S194 PolarHBondContact O-OG 3.04Å
191A83.4Confident75Confident53 Ų5393.7 Ų93.744%0.43859%0.59SS.*Hα-helixtrans-61-40.6174.200000111.6L187 V188 I189 S194 A195L187-A191 VanDerWaalsContact O-CB 3.26Å; L187-A191 WeakPolarHBondContact O-CB 3.04Å; L187-A191 PolarHBondContact O-N 2.85Å; V188-A191 PolarHBondContact O-N 2.65Å; I189-A191 VanDerWaalsContact C-N 3.33Å; I189-A191 PolarHBondContact O-N 3.34Å; A191-S194 WeakPolarHBondContact CA-OG 3.46Å; A191-S194 PolarHBondContact O-OG 2.01Å; A191-S194 VanDerWaalsContact O-OG 3.13Å; A191-A195 WeakPolarHBondContact O-CB 3.37Å; A191-A195 PolarHBondContact O-N 2.8Å
192A80.6Confident73.5Confident66 Ų6696.8 Ų96.855%0.54560%0.6SS.*Hα-helixtrans-67.8-37.917700000113V188 I189 I190V188-A192 WeakPolarHBondContact O-CB 3.38Å; V188-A192 PolarHBondContact O-N 2.8Å; I189-A192 PolarHBondContact O-N 2.01Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 3.36Å
193I80.9Confident72Confident125 Ų12599.5 Ų99.564%0.64161%0.607SS**Hα-helixtrans-71.2-44.8177.1-65.8167.1000110.6I189 I190 A195 G196I189-I193 HydrophobicContact CG2-CD1 3.82Å; I189-I193 HydrophobicContact CG2-CG1 4.44Å; I189-I193 VanDerWaalsContact O-CG1 3.31Å; I189-I193 WeakPolarHBondContact O-CG1 3.39Å; I189-I193 PolarHBondContact O-N 2.98Å; I190-I193 PolarHBondContact O-N 2.96Å; I193-A195 VanDerWaalsContact C-N 3.31Å; I193-A195 PolarHBondContact O-N 3.36Å; I193-G196 WeakPolarHBondContact O-CA 3.23Å; I193-G196 PolarHBondContact O-N 3.21Å
194S78.7Confident71Confident95 Ų95100.1 Ų100.166%0.66461%0.611SS**Hα-helixtrans-68.4-29.7177.155.30000112.8I190 A191 G196I190-S194 WeakPolarHBondContact O-CB 3.02Å; I190-S194 PolarHBondContact O-N 3.24Å; I190-S194 PolarHBondContact O-OG 3.04Å; A191-S194 WeakPolarHBondContact CA-OG 3.46Å; A191-S194 PolarHBondContact O-OG 2.01Å; A191-S194 VanDerWaalsContact O-OG 3.13Å; S194-G196 PolarHBondContact O-N 3.22Å; S194-G196 VanDerWaalsContact O-N 3.15Å
195A67.9Low70.1Confident73 Ų73103 Ų10360%0.60362%0.615SS**THydrogen-bonded Turntrans-7410.1168.500000113.6A191 I193 R197A191-A195 WeakPolarHBondContact O-CB 3.37Å; A191-A195 PolarHBondContact O-N 2.8Å; I193-A195 VanDerWaalsContact C-N 3.31Å; I193-A195 PolarHBondContact O-N 3.36Å; A195-R197 VanDerWaalsContact C-N 3.25Å; A195-R197 PolarHBondContact O-N 2.81Å
196G57.4Low69.5Low54 Ų54102.6 Ų102.656%0.55761%0.612SS**  trans-62.976.3173.400000113.4I193 S194I193-G196 WeakPolarHBondContact O-CA 3.23Å; I193-G196 PolarHBondContact O-N 3.21Å; S194-G196 PolarHBondContact O-N 3.22Å; S194-G196 VanDerWaalsContact O-N 3.15Å
197R48.8Very low68.9Low248 Ų248105.2 Ų105.294%0.93662%0.619SS**  trans-173.466.1146.6-115.6165.5177.5160.2-1.6112.1A195A195-R197 VanDerWaalsContact C-N 3.25Å; A195-R197 PolarHBondContact O-N 2.81Å
198S46.1Very low68.6Low104 Ų104105.1 Ų105.173%0.72762%0.619SS**  trans-153106.9146.4-163.50000109.8G200S198-G200 PolarHBondContact O-N 3.09Å
199A51.4Low68.4Low119 Ų119105.1 Ų105.198%0.98362%0.615SS**THydrogen-bonded Turntrans-66.216.5-17500000114.7
200G50.4Low68.4Low62 Ų62107.9 Ų107.964%0.63962%0.618SS**THydrogen-bonded Turntrans-99-21.6179.800000116.1S198S198-G200 PolarHBondContact O-N 3.09Å
201G53.5Low68.6Low39 Ų39107.3 Ų107.340%0.40261%0.613SS.*SBendtrans-85.8-24.7-16900000116.5K203 S204G201-K203 VanDerWaalsContact C-N 3.34Å; G201-K203 PolarHBondContact O-N 3.2Å; G201-S204 PolarHBondContact O-N 2.8Å
202F52.9Low68.7Low188 Ų188112 Ų11283%0.82562%0.62SS**Hα-helixtrans-69.9-26.2-167.7-156.7-101.8000113.9S204 G206F202-S204 VanDerWaalsContact C-N 3.33Å; F202-S204 PolarHBondContact O-N 3.11Å; F202-G206 PolarHBondContact O-N 2.78Å
203K53.7Low69.1Low175 Ų175112.6 Ų112.676%0.76161%0.614SS**Hα-helixtrans-68.2-30.5178.3-76.3-178.1178.81770113G201 M207G201-K203 VanDerWaalsContact C-N 3.34Å; G201-K203 PolarHBondContact O-N 3.2Å; K203-M207 PolarHBondContact O-N 3.36Å
204S66Low69.7Low70 Ų70112.9 Ų112.949%0.4961%0.61SS.*Hα-helixtrans-74.4-49.8-179.4-171.80000111.6G201 F202 G206 M207 L208G201-S204 PolarHBondContact O-N 2.8Å; F202-S204 VanDerWaalsContact C-N 3.33Å; F202-S204 PolarHBondContact O-N 3.11Å; S204-G206 VanDerWaalsContact C-N 3.3Å; S204-G206 PolarHBondContact O-N 3.32Å; S204-M207 PolarHBondContact O-N 3.11Å; S204-L208 PolarHBondContact O-N 3.27Å
205Y69Low70.2Confident172 Ų172111.4 Ų111.468%0.67560%0.595SS**Hα-helixtrans-58.7-40.3176.7-75.4-81000112.4M207 L208 L209Y205-M207 VanDerWaalsContact C-N 3.3Å; Y205-M207 PolarHBondContact O-N 3.39Å; Y205-L208 PolarHBondContact O-N 2.85Å; Y205-L209 VanDerWaalsContact O-CB 3.27Å; Y205-L209 WeakPolarHBondContact O-CB 3.36Å; Y205-L209 PolarHBondContact O-N 3.18Å
206G75.4Confident71.2Confident24 Ų24111.3 Ų111.325%0.24758%0.584CS.*Hα-helixtrans-63.5-30.5175.700000114F202 S204 R210F202-G206 PolarHBondContact O-N 2.78Å; S204-G206 VanDerWaalsContact C-N 3.3Å; S204-G206 PolarHBondContact O-N 3.32Å; G206-R210 WeakPolarHBondContact O-CB 3.35Å; G206-R210 VanDerWaalsContact O-CG 3.27Å; G206-R210 WeakPolarHBondContact O-CG 3.2Å; G206-R210 PolarHBondContact O-N 2.03Å; G206-R210 PolarHBondContact O-NE 2.84Å
207M79.8Confident72.7Confident120 Ų120116.4 Ų116.459%0.59159%0.59SS**Hα-helixtrans-74.7-44.9172.5-85.4-169.3-89.700111.8K203 S204 Y205 L209 R210 Q211K203-M207 PolarHBondContact O-N 3.36Å; S204-M207 PolarHBondContact O-N 3.11Å; Y205-M207 VanDerWaalsContact C-N 3.3Å; Y205-M207 PolarHBondContact O-N 3.39Å; M207-L209 PolarHBondContact O-N 3.26Å; M207-R210 PolarHBondContact O-N 3.28Å; M207-Q211 WeakPolarHBondContact O-CB 3.31Å; M207-Q211 PolarHBondContact O-N 2.8Å
208L83.2Confident74.6Confident111 Ų111113.3 Ų113.358%0.58158%0.579SS**Hα-helixtrans-63.6-41.9178.4-66.4174.6000112.1S204 Y205 Q211 W212S204-L208 PolarHBondContact O-N 3.27Å; Y205-L208 PolarHBondContact O-N 2.85Å; L208-Q211 PolarHBondContact O-N 2.91Å; L208-W212 VanDerWaalsContact O-CB 3.29Å; L208-W212 WeakPolarHBondContact O-CB 3.35Å; L208-W212 PolarHBondContact O-N 3.4Å
209L85Confident76.3Confident101 Ų101117.2 Ų117.253%0.52958%0.577SS.*Hα-helixtrans-63.8-43.4176.3-179.162.8000111.7Y205 M207 Q211 W212 L213Y205-L209 VanDerWaalsContact O-CB 3.27Å; Y205-L209 WeakPolarHBondContact O-CB 3.36Å; Y205-L209 PolarHBondContact O-N 3.18Å; M207-L209 PolarHBondContact O-N 3.26Å; L209-Q211 VanDerWaalsContact C-N 3.34Å; L209-Q211 PolarHBondContact O-N 2.89Å; L209-W212 HydrophobicContact CD1-CE3 4.15Å; L209-W212 PolarHBondContact O-N 3.36Å; L209-L213 HydrophobicContact CD1-CD1 4.48Å; L209-L213 HydrophobicContact CD1-CG 4.42Å; L209-L213 HydrophobicContact CG-CD1 4.25Å; L209-L213 WeakPolarHBondContact O-CB 3.01Å; L209-L213 VanDerWaalsContact O-CG 3.27Å; L209-L213 WeakPolarHBondContact O-CG 3.42Å; L209-L213 PolarHBondContact O-N 3.41Å
210R86.7Confident77.7Confident161 Ų161119.8 Ų119.861%0.60856%0.562SS**Hα-helixtrans-64.6-39.2176.7-78-177-72.5-161.12.5112G206 M207 K214G206-R210 WeakPolarHBondContact O-CB 3.35Å; G206-R210 VanDerWaalsContact O-CG 3.27Å; G206-R210 WeakPolarHBondContact O-CG 3.2Å; G206-R210 PolarHBondContact O-N 2.03Å; G206-R210 PolarHBondContact O-NE 2.84Å; M207-R210 PolarHBondContact O-N 3.28Å; R210-K214 WeakPolarHBondContact O-CG 3.24Å; R210-K214 PolarHBondContact O-N 3.24Å
211Q89.1Confident78.9Confident93 Ų93120.2 Ų120.244%0.43556%0.555SS.*Hα-helixtrans-66.2-46.4175.7-173.35929.900111.2M207 L208 L209 L213 K214 D215M207-Q211 WeakPolarHBondContact O-CB 3.31Å; M207-Q211 PolarHBondContact O-N 2.8Å; L208-Q211 PolarHBondContact O-N 2.91Å; L209-Q211 VanDerWaalsContact C-N 3.34Å; L209-Q211 PolarHBondContact O-N 2.89Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 3.49Å; Q211-K214 WeakPolarHBondContact O-CB 3.44Å; Q211-K214 PolarHBondContact O-N 2.7Å; Q211-K214 VanDerWaalsContact O-N 3.12Å; Q211-D215 PolarHBondContact O-N 2.68Å
212W85.7Confident79.8Confident151 Ų151121.6 Ų121.657%0.57256%0.559SS**Hα-helixtrans-59.7-41.8177-177.782.2000112.7L208 L209 K214 D215 L216L208-W212 VanDerWaalsContact O-CB 3.29Å; L208-W212 WeakPolarHBondContact O-CB 3.35Å; L208-W212 PolarHBondContact O-N 3.4Å; L209-W212 HydrophobicContact CD1-CE3 4.15Å; L209-W212 PolarHBondContact O-N 3.36Å; W212-K214 VanDerWaalsContact C-N 3.34Å; W212-K214 PolarHBondContact O-N 2.86Å; W212-D215 PolarHBondContact O-N 3.24Å; W212-L216 HydrophobicContact CD2-CD1 3.95Å; W212-L216 HydrophobicContact CD2-CG 4.25Å; W212-L216 HydrophobicContact CE3-CD1 3.67Å; W212-L216 HydrophobicContact CE3-CG 4.39Å; W212-L216 HydrophobicContact CH2-CD1 3.33Å; W212-L216 HydrophobicContact CH2-CG 4.4Å; W212-L216 HydrophobicContact CZ2-CD1 3.59Å; W212-L216 HydrophobicContact CZ2-CD2 4.42Å; W212-L216 HydrophobicContact CZ2-CG 4.21Å; W212-L216 HydrophobicContact CZ3-CD1 3.35Å; W212-L216 HydrophobicContact CZ3-CG 4.46Å; W212-L216 PolarHBondContact O-N 3.33Å
213L90.6Very high80.4Confident80 Ų80118 Ų11842%0.41955%0.546SS..Hα-helixtrans-63.8-35.9175.1-73.5172.5000112.8L209 Q211 K217L209-L213 HydrophobicContact CD1-CD1 4.48Å; L209-L213 HydrophobicContact CD1-CG 4.42Å; L209-L213 HydrophobicContact CG-CD1 4.25Å; L209-L213 WeakPolarHBondContact O-CB 3.01Å; L209-L213 VanDerWaalsContact O-CG 3.27Å; L209-L213 WeakPolarHBondContact O-CG 3.42Å; L209-L213 PolarHBondContact O-N 3.41Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 3.49Å; L213-K217 PolarHBondContact O-N 3.01Å; L213-K217 VanDerWaalsContact O-N 3.08Å
214K92.4Very high81.1Confident131 Ų131113.3 Ų113.357%0.5753%0.529SS*.Hα-helixtrans-65.6-41.6173.9-72.9174.5-177.1178.80111.1R210 Q211 W212 K217 R218R210-K214 WeakPolarHBondContact O-CG 3.24Å; R210-K214 PolarHBondContact O-N 3.24Å; Q211-K214 WeakPolarHBondContact O-CB 3.44Å; Q211-K214 PolarHBondContact O-N 2.7Å; Q211-K214 VanDerWaalsContact O-N 3.12Å; W212-K214 VanDerWaalsContact C-N 3.34Å; W212-K214 PolarHBondContact O-N 2.86Å; K214-K217 PolarHBondContact O-N 2.83Å; K214-R218 PolarHBondContact O-N 3.3Å
215D89.9Confident81.1Confident64 Ų64118.1 Ų118.134%0.34254%0.541SS..Hα-helixtrans-67.8-37178.1-70-22.3000112Q211 W212 R218 R219Q211-D215 PolarHBondContact O-N 2.68Å; W212-D215 PolarHBondContact O-N 3.24Å; D215-R218 PolarHBondContact O-N 3.12Å; D215-R219 WeakPolarHBondContact O-CG 3.05Å; D215-R219 PolarHBondContact O-N 2.85Å
216L88.3Confident80.6Confident71 Ų71117.5 Ų117.537%0.37255%0.545SS..Hα-helixtrans-62-45.3171.8-78.1-176.5000112.7W212 R218 R219 R220W212-L216 HydrophobicContact CD2-CD1 3.95Å; W212-L216 HydrophobicContact CD2-CG 4.25Å; W212-L216 HydrophobicContact CE3-CD1 3.67Å; W212-L216 HydrophobicContact CE3-CG 4.39Å; W212-L216 HydrophobicContact CH2-CD1 3.33Å; W212-L216 HydrophobicContact CH2-CG 4.4Å; W212-L216 HydrophobicContact CZ2-CD1 3.59Å; W212-L216 HydrophobicContact CZ2-CD2 4.42Å; W212-L216 HydrophobicContact CZ2-CG 4.21Å; W212-L216 HydrophobicContact CZ3-CD1 3.35Å; W212-L216 HydrophobicContact CZ3-CG 4.46Å; W212-L216 PolarHBondContact O-N 3.33Å; L216-R218 VanDerWaalsContact C-N 3.29Å; L216-R218 PolarHBondContact O-N 2.82Å; L216-R219 PolarHBondContact O-N 2.83Å; L216-R220 WeakPolarHBondContact O-CB 2.99Å; L216-R220 PolarHBondContact O-N 3.33Å
217K89.9Confident79.4Confident160 Ų160119.7 Ų119.770%0.69656%0.56SS**Hα-helixtrans-61.4-38.9175-73.6-174.7-175.5-176.60111.6L213 K214 R220 S221L213-K217 PolarHBondContact O-N 3.01Å; L213-K217 VanDerWaalsContact O-N 3.08Å; K214-K217 PolarHBondContact O-N 2.83Å; K217-R220 WeakPolarHBondContact O-CB 3.44Å; K217-R220 PolarHBondContact O-N 2.04Å; K217-S221 PolarHBondContact O-N 2.82Å
218R87.4Confident77.5Confident184 Ų184118.5 Ų118.569%0.69456%0.56SS**Hα-helixtrans-64.1-42.9176.9-159.1-173.6-64.5-125.83.1111.6K214 D215 L216 S221 S222K214-R218 PolarHBondContact O-N 3.3Å; D215-R218 PolarHBondContact O-N 3.12Å; L216-R218 VanDerWaalsContact C-N 3.29Å; L216-R218 PolarHBondContact O-N 2.82Å; R218-S221 PolarHBondContact O-N 2.7Å; R218-S222 PolarHBondContact O-N 2.73Å
219R82.3Confident75.6Confident185 Ų185118.4 Ų118.470%0.69857%0.566SS**Hα-helixtrans-64-42.1174.3-71.3178.5-175.4-137.32.2112D215 L216 S222 M223D215-R219 WeakPolarHBondContact O-CG 3.05Å; D215-R219 PolarHBondContact O-N 2.85Å; L216-R219 PolarHBondContact O-N 2.83Å; R219-S222 WeakPolarHBondContact O-CB 3.37Å; R219-S222 PolarHBondContact O-N 2.76Å; R219-M223 PolarHBondContact O-N 2.57Å
220R79.7Confident73.5Confident173 Ų173117.5 Ų117.565%0.65357%0.573SS**Hα-helixtrans-56.9-52.2174.1-17583.6-171-146.32.5111.4L216 K217 S222 M223 D224L216-R220 WeakPolarHBondContact O-CB 2.99Å; L216-R220 PolarHBondContact O-N 3.33Å; K217-R220 WeakPolarHBondContact O-CB 3.44Å; K217-R220 PolarHBondContact O-N 2.04Å; R220-S222 VanDerWaalsContact C-N 3.25Å; R220-S222 PolarHBondContact O-N 3.13Å; R220-M223 WeakPolarHBondContact O-CB 3.31Å; R220-M223 PolarHBondContact O-N 3.5Å; R220-D224 PolarHBondContact O-N 2.75Å
221S75.6Confident71Confident72 Ų72116.3 Ų116.350%0.50358%0.584SS.*Hα-helixtrans-61.9-30.8176.9-780000113.6K217 R218 K225K217-S221 PolarHBondContact O-N 2.82Å; R218-S221 PolarHBondContact O-N 2.7Å; S221-K225 WeakPolarHBondContact O-CG 2.89Å; S221-K225 PolarHBondContact O-N 3.17Å
222S74.1Confident68.5Low68 Ų68120.1 Ų120.148%0.47660%0.599SS.*Hα-helixtrans-68-37.4174.1-162.40000111.9R218 R219 R220R218-S222 PolarHBondContact O-N 2.73Å; R219-S222 WeakPolarHBondContact O-CB 3.37Å; R219-S222 PolarHBondContact O-N 2.76Å; R220-S222 VanDerWaalsContact C-N 3.25Å; R220-S222 PolarHBondContact O-N 3.13Å
223M64Low66Low111 Ų111118 Ų11855%0.54761%0.608SS.*Hα-helixtrans-70.1-39.2175-69.9-16370.100112.3R219 R220 K225 Q226 A227R219-M223 PolarHBondContact O-N 2.57Å; R220-M223 WeakPolarHBondContact O-CB 3.31Å; R220-M223 PolarHBondContact O-N 3.5Å; M223-K225 VanDerWaalsContact C-N 3.27Å; M223-K225 PolarHBondContact O-N 3.41Å; M223-Q226 PolarHBondContact O-N 3.18Å; M223-A227 WeakPolarHBondContact O-CB 3.19Å; M223-A227 PolarHBondContact O-N 2.02Å
224D69.1Low63.4Low78 Ų78117.6 Ų117.642%0.41762%0.622SS.*Hα-helixtrans-65.1-30.7179.3-64.9-34.8000112R220 Q226 A227 T228R220-D224 PolarHBondContact O-N 2.75Å; D224-Q226 VanDerWaalsContact C-N 3.29Å; D224-Q226 PolarHBondContact O-N 2.03Å; D224-A227 CarbonylContact O-C 3.28Å; D224-A227 PolarHBondContact O-N 3.45Å; D224-T228 PolarHBondContact O-N 2.9Å; D224-T228 VanDerWaalsContact O-N 3.08Å
225K65.6Low60.7Low171 Ų171115 Ų11574%0.74363%0.625SS**Hα-helixtrans-68.1-24.7172.5-72.3-179.9-178.8-173.40113.9S221 M223 T228S221-K225 WeakPolarHBondContact O-CG 2.89Å; S221-K225 PolarHBondContact O-N 3.17Å; M223-K225 VanDerWaalsContact C-N 3.27Å; M223-K225 PolarHBondContact O-N 3.41Å; K225-T228 PolarHBondContact O-OG1 2.9Å
226Q58.2Low57.9Low159 Ų159118.8 Ų118.874%0.74365%0.645SS**Hα-helixtrans-90.3-22.7173.7-76.3162-19.100111.7M223 D224M223-Q226 PolarHBondContact O-N 3.18Å; D224-Q226 VanDerWaalsContact C-N 3.29Å; D224-Q226 PolarHBondContact O-N 2.03Å
227A49.9Very low55.6Low70 Ų70121 Ų12158%0.57966%0.662SS**Hα-helixtrans-93.22.2179.400000114.3M223 D224 P229M223-A227 WeakPolarHBondContact O-CB 3.19Å; M223-A227 PolarHBondContact O-N 2.02Å; D224-A227 CarbonylContact O-C 3.28Å; D224-A227 PolarHBondContact O-N 3.45Å; A227-P229 WeakPolarHBondContact O-CD 3.35Å
228T40.3Very low52.7Low95 Ų95118.1 Ų118.158%0.58366%0.661SS**SBendtrans-78100.5157.351.90000107.3D224 K225 A230D224-T228 PolarHBondContact O-N 2.9Å; D224-T228 VanDerWaalsContact O-N 3.08Å; K225-T228 PolarHBondContact O-OG1 2.9Å; T228-A230 PolarHBondContact O-N 3.01Å
229P44.4Very low50.5Low108 Ų108115.3 Ų115.370%0.70167%0.665SS**  trans-52.4132.3161.524.9-32.9000105.9A227 T231A227-P229 WeakPolarHBondContact O-CD 3.35Å; P229-T231 VanDerWaalsContact C-N 3.29Å; P229-T231 PolarHBondContact O-N 3.31Å
230A40.9Very low48.1Very low83 Ų83115 Ų11569%0.68667%0.671SS**  trans-49.8103.3170.600000107.7T228 K232T228-A230 PolarHBondContact O-N 3.01Å; A230-K232 HydrophobicContact CB-CG 4.3Å; A230-K232 PolarHBondContact O-N 3.2Å
231T32.7Very low45.7Very low136 Ų136116.4 Ų116.483%0.83469%0.685SS**  trans-63.570.3149.780000105.9P229 S233P229-T231 VanDerWaalsContact C-N 3.29Å; P229-T231 PolarHBondContact O-N 3.31Å; T231-S233 PolarHBondContact O-N 3.09Å
232K38.1Very low43.5Very low172 Ų172116.5 Ų116.575%0.74870%0.697SS**  trans-67.885.7138.7-68.4-175.9177.3-176.40102.5A230A230-K232 HydrophobicContact CB-CG 4.3Å; A230-K232 PolarHBondContact O-N 3.2Å
233S33.3Very low41.3Very low108 Ų108116.8 Ų116.876%0.75571%0.711SS**  33.491.482.3-175.10000108.4T231 A235T231-S233 PolarHBondContact O-N 3.09Å; S233-A235 PolarHBondContact O-N 3.1Å; S233-A235 VanDerWaalsContact O-N 3.08Å
234G34.5Very low39.8Very low71 Ų71120.5 Ų120.573%0.73273%0.727SS**  trans16.978.717100000116.1N236G234-N236 PolarHBondContact O-N 3.05Å; G234-N236 VanDerWaalsContact O-N 3.14Å
235A35.8Very low37.9Very low75 Ų75123.4 Ų123.462%0.6275%0.748SS**  trans-76.888.4143.200000105.2S233 V237S233-A235 PolarHBondContact O-N 3.1Å; S233-A235 VanDerWaalsContact O-N 3.08Å; A235-V237 PolarHBondContact O-N 3.01Å
236N32.4Very low36.1Very low145 Ų145120.8 Ų120.878%0.77575%0.751SS**  trans-47.2101.2153.7-83-14.7000105.9G234 S238G234-N236 PolarHBondContact O-N 3.05Å; G234-N236 VanDerWaalsContact O-N 3.14Å; N236-S238 PolarHBondContact O-N 3.46Å
237V38.9Very low34.9Very low117 Ų117117.2 Ų117.271%0.70975%0.749SS**  trans-75.785.4162.5-175.50000104.1A235 V239A235-V237 PolarHBondContact O-N 3.01Å; V237-V239 HydrophobicContact CG1-CG2 3.5Å; V237-V239 PolarHBondContact O-N 3.22Å
238S29.6Very low33.9Very low99 Ų99121.6 Ų121.669%0.69276%0.757SS**  trans-62.191.1156.6-58.70000105.7N236 E240N236-S238 PolarHBondContact O-N 3.46Å; S238-E240 PolarHBondContact O-N 3.37Å
239V40.5Very low33.6Very low126 Ų126129.1 Ų129.176%0.76478%0.775SS**  trans-74106.2165.3-179.80000105.5V237V237-V239 HydrophobicContact CG1-CG2 3.5Å; V237-V239 PolarHBondContact O-N 3.22Å
240E32.7Very low33Very low177 Ų177131.7 Ų131.783%0.82778%0.775SS**  trans-58.7149.8171.6-74.8-179.6115.800111.2S238 G242S238-E240 PolarHBondContact O-N 3.37Å; E240-G242 PolarHBondContact O-N 3Å
241Q30.1Very low32.7Very low204 Ų204133.7 Ų133.795%0.95378%0.784SS**  trans-58112.7178.4-66.4154.4-34.800111
242G29.6Very low32.6Very low74 Ų74133 Ų13376%0.76378%0.779SS**  trans-133.5108145.400000104.5E240E240-G242 PolarHBondContact O-N 3Å
243G26.4Very low32.2Very low74 Ų74128.2 Ų128.276%0.76378%0.779SS**  92.382.652.300000106.1
244E33.2Very low32.2Very low189 Ų189129.8 Ų129.888%0.88378%0.778SS**  trans-164.1104147.5-108.6165.2172.200109.8
245T28.3Very low32.1Very low139 Ų139131.7 Ų131.785%0.85378%0.78SS**  trans-37.8126.5150.847.50000112.1
246S29Very low32.3Very low115 Ų115135.7 Ų135.780%0.80479%0.786SS**  -171.2123.8123.6-150.70000111.5
247A32.1Very low32.4Very low84 Ų84136.7 Ų136.769%0.69479%0.786SS**  trans5597.4136.600000118.6
248E29.1Very low32.6Very low162 Ų162144.1 Ų144.176%0.75781%0.813SS**  54.495.2107.7-155.6152.5122.900116.5
249R33.3Very low32.8Very low254 Ų254146.4 Ų146.496%0.95882%0.819SS**  trans-133.894.6144.3-132.6173.1-114.1-140.7-0.3110.9
250K32.5Very low32.4Very low162 Ų162147.4 Ų147.470%0.70482%0.822SS**  trans-14.6121.2162.2-69.2169.4178.5175.30114.5V252K250-V252 PolarHBondContact O-N 2.85Å; K250-V252 VanDerWaalsContact O-N 3.14Å
251S34.2Very low32.4Very low124 Ų124145.8 Ų145.887%0.86782%0.822SS**  trans-47.4109.5152.5-33.50000109.5G253S251-G253 PolarHBondContact O-N 3.25Å
252V31.1Very low32.5Very low121 Ų121142.4 Ų142.473%0.73381%0.814SS**  trans-81.594.1161.6177.50000105.9K250 L254K250-V252 PolarHBondContact O-N 2.85Å; K250-V252 VanDerWaalsContact O-N 3.14Å; V252-L254 HydrophobicContact CG1-CD1 3.75Å; V252-L254 PolarHBondContact O-N 2.96Å
253G30.7Very low32.7Very low73 Ų73146.6 Ų146.675%0.75382%0.817SS**  trans-67111.2152.600000107.5S251S251-G253 PolarHBondContact O-N 3.25Å
254L32.6Very low33.1Very low140 Ų140151.5 Ų151.573%0.73382%0.821SS**  trans-106.6107.4158.6-129.182.3000107.3V252V252-L254 HydrophobicContact CG1-CD1 3.75Å; V252-L254 PolarHBondContact O-N 2.96Å
255S31.7Very low33.1Very low111 Ų111148.8 Ų148.878%0.77682%0.816SS**  trans-56.5128.1157.148.10000110.8
256Q39.9Very low33.5Very low159 Ų159149.5 Ų149.574%0.74381%0.813SS**  trans-133105.4150.8-78.1-173.3-26.600106.2
257Q34.4Very low33.9Very low167 Ų167152.4 Ų152.478%0.7881%0.814SS**  67.294.9111.3-80.1170.5-7700114
258Q44.6Very low34Very low272 Ų272158.6 Ų158.6100%1.27183%0.825SS**  -174.30106.7-98.4175.3-18.300110.5

Retrieved 258 of 258 residues in 202.4 ms (Link to these results)