A0A077ZFM5_TRITR Loading...

Collagen domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFM5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 271 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
1M31.9Very low32.9Very low237 Ų237139.6 Ų139.6100%1.16779%0.787SS**  082.90-77.1-177.7175.500109.6
2Y30.9Very low33.8Very low236 Ų236142.5 Ų142.593%0.92578%0.784SS**  trans-135.9131.7160.7-84.2-79.8000107.6L4Y2-L4 PolarHBondContact O-N 3.11Å
3A28.5Very low34.8Very low93 Ų93139.4 Ų139.477%0.76977%0.772SS**  trans-67.2118.5-159.600000113.1C5A3-C5 VanDerWaalsContact C-N 3.28Å; A3-C5 PolarHBondContact O-N 2.72Å; A3-C5 VanDerWaalsContact O-N 3.07Å
4L28.2Very low35.7Very low180 Ų180137 Ų13794%0.94275%0.749SS**  trans-74.285.9157.3-83.4161.3000108.2Y2 A6Y2-L4 PolarHBondContact O-N 3.11Å; L4-A6 PolarHBondContact O-N 2.98Å
5C28.9Very low36.6Very low118 Ų118136.1 Ų136.180%0.79774%0.738SS**  trans-74.2107.4165-102.50000109.6A3A3-C5 VanDerWaalsContact C-N 3.28Å; A3-C5 PolarHBondContact O-N 2.72Å; A3-C5 VanDerWaalsContact O-N 3.07Å
6A27.6Very low37.4Very low85 Ų85139.6 Ų139.670%0.70274%0.737SS**  trans4678.4137.400000118.2L4L4-A6 PolarHBondContact O-N 2.98Å
7V35.6Very low38.3Very low126 Ų126136.4 Ų136.476%0.76472%0.716SS**  -113.9112.7129-176.50000104.8P9V7-P9 WeakPolarHBondContact O-CD 3.48Å
8R30.8Very low39.1Very low240 Ų240135.1 Ų135.191%0.90670%0.703SS**  trans-83.3103.3173-79.1-178.2173.9176.5-1.2107.7
9P40.4Very low40Very low52 Ų52134.4 Ų134.434%0.33870%0.696SS.*  trans-81.3137.2163.1-226.2000106.5V7 G11 K14V7-P9 WeakPolarHBondContact O-CD 3.48Å; P9-G11 PolarHBondContact O-N 3.28Å; P9-K14 HydrophobicContact CB-CB 4.32Å; P9-K14 HydrophobicContact CB-CD 4.41Å; P9-K14 HydrophobicContact CB-CG 4.35Å; P9-K14 HydrophobicContact CG-CB 4.33Å; P9-K14 HydrophobicContact CG-CD 3.57Å; P9-K14 HydrophobicContact CG-CG 3.85Å
10C37.9Very low40.8Very low112 Ų112129.6 Ų129.676%0.75768%0.677SS**  trans-50.4128.2177.9-159.70000110.2K12 V13C10-K12 PolarHBondContact O-N 3.32Å; C10-V13 PolarHBondContact O-N 3.25Å
11G41.4Very low41.5Very low57 Ų57126.7 Ų126.759%0.58867%0.665SS**Hα-helixtrans-56.6-17.5-15400000117.5P9P9-G11 PolarHBondContact O-N 3.28Å
12K43.5Very low42.6Very low174 Ų174123.3 Ų123.376%0.75764%0.641SS**Hα-helixtrans-86.8-25.6177.8-68.6-175177179.70114.4C10 R16C10-K12 PolarHBondContact O-N 3.32Å; K12-R16 WeakPolarHBondContact O-CG 3.15Å; K12-R16 PolarHBondContact O-N 3.25Å
13V47Very low43.8Very low102 Ų102118.8 Ų118.862%0.61863%0.626SS**Hα-helixtrans-80.7-37.3-175.5-176.80000110.9C10 E15 R16 F17C10-V13 PolarHBondContact O-N 3.25Å; V13-E15 VanDerWaalsContact C-N 3.31Å; V13-E15 PolarHBondContact O-N 3.26Å; V13-R16 PolarHBondContact O-N 3.32Å; V13-F17 PolarHBondContact O-N 3.22Å
14K46.9Very low45.1Very low106 Ų106117.9 Ų117.946%0.46161%0.607SS.*Hα-helixtrans-62.3-41177.8-144.3179.2-163.9170.60111.5P9 F18P9-K14 HydrophobicContact CB-CB 4.32Å; P9-K14 HydrophobicContact CB-CD 4.41Å; P9-K14 HydrophobicContact CB-CG 4.35Å; P9-K14 HydrophobicContact CG-CB 4.33Å; P9-K14 HydrophobicContact CG-CD 3.57Å; P9-K14 HydrophobicContact CG-CG 3.85Å; K14-F18 WeakPolarHBondContact O-CD2 3.2Å; K14-F18 PolarHBondContact O-N 3.35Å; K14-F18 VanDerWaalsContact O-N 3.08Å
15E49Very low46.2Very low124 Ų124111.8 Ų111.858%0.57958%0.58SS**Hα-helixtrans-73-39.9-178.1-156.3161.7-149.200112V13 Q19V13-E15 VanDerWaalsContact C-N 3.31Å; V13-E15 PolarHBondContact O-N 3.26Å; E15-Q19 WeakPolarHBondContact O-CB 3.23Å; E15-Q19 VanDerWaalsContact O-CG 3.26Å; E15-Q19 WeakPolarHBondContact O-CG 3.22Å; E15-Q19 PolarHBondContact O-N 3Å
16R50.9Low47.3Very low192 Ų192110.8 Ų110.873%0.72557%0.566SS**Hα-helixtrans-65.1-40.8173.8-77.3-171.5172.2-167.5-2.4112.9K12 V13 Q19 A20K12-R16 WeakPolarHBondContact O-CG 3.15Å; K12-R16 PolarHBondContact O-N 3.25Å; V13-R16 PolarHBondContact O-N 3.32Å; R16-Q19 PolarHBondContact O-N 3.18Å; R16-A20 VanDerWaalsContact O-CB 3.28Å; R16-A20 WeakPolarHBondContact O-CB 3.31Å; R16-A20 PolarHBondContact O-N 2.87Å
17F51.9Low48.3Very low85 Ų85112.3 Ų112.337%0.37356%0.559SS.*Hα-helixtrans-66.5-47.2178.3-165.9-91.3000111.4V13 A20 V21 I52V13-F17 PolarHBondContact O-N 3.22Å; F17-A20 PolarHBondContact O-N 3.2Å; F17-V21 HydrophobicContact CD1-CG2 4.05Å; F17-V21 HydrophobicContact CE1-CG2 3.76Å; F17-V21 HydrophobicContact CZ-CG2 4.29Å; F17-V21 WeakPolarHBondContact O-CG2 3.2Å; F17-V21 PolarHBondContact O-N 3.09Å; F17-I52 HydrophobicContact CE1-CD1 4.26Å; F17-I52 HydrophobicContact CE1-CG2 4.14Å; F17-I52 HydrophobicContact CZ-CD1 4.2Å; F17-I52 HydrophobicContact CZ-CG2 3.77Å
18F53.2Low48.7Very low112 Ų112110.8 Ų110.849%0.49155%0.546SS..Hα-helixtrans-63.6-41.4175.4-94.8-83.2000112.2K14 A20 V21 Y22K14-F18 WeakPolarHBondContact O-CD2 3.2Å; K14-F18 PolarHBondContact O-N 3.35Å; K14-F18 VanDerWaalsContact O-N 3.08Å; F18-A20 VanDerWaalsContact C-N 3.34Å; F18-A20 PolarHBondContact O-N 3.34Å; F18-V21 PolarHBondContact O-N 3.33Å; F18-Y22 HydrophobicContact CD1-CD2 4.36Å; F18-Y22 HydrophobicContact CD1-CE2 4.22Å; F18-Y22 WeakPolarHBondContact O-CB 3.49Å; F18-Y22 WeakPolarHBondContact O-CD2 3.26Å; F18-Y22 PolarHBondContact O-N 3.04Å
19Q55.9Low49.4Very low122 Ų122104.5 Ų104.557%0.5753%0.529SS*.Hα-helixtrans-63.3-37.6174.6-80.3-179.2-1.700112.4E15 R16 K23E15-Q19 WeakPolarHBondContact O-CB 3.23Å; E15-Q19 VanDerWaalsContact O-CG 3.26Å; E15-Q19 WeakPolarHBondContact O-CG 3.22Å; E15-Q19 PolarHBondContact O-N 3Å; R16-Q19 PolarHBondContact O-N 3.18Å; Q19-K23 VanDerWaalsContact O-CB 3.28Å; Q19-K23 WeakPolarHBondContact O-CB 3.28Å; Q19-K23 PolarHBondContact O-N 3.23Å
20A55.1Low49.6Very low38 Ų38109.1 Ų109.131%0.31455%0.545SS..Hα-helixtrans-67.5-45.617700000111.5R16 F17 F18 K23 I24R16-A20 VanDerWaalsContact O-CB 3.28Å; R16-A20 WeakPolarHBondContact O-CB 3.31Å; R16-A20 PolarHBondContact O-N 2.87Å; F17-A20 PolarHBondContact O-N 3.2Å; F18-A20 VanDerWaalsContact C-N 3.34Å; F18-A20 PolarHBondContact O-N 3.34Å; A20-K23 PolarHBondContact O-N 3.4Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.47Å; A20-I24 PolarHBondContact O-N 2.86Å
21V56.4Low49.9Very low70 Ų70110.5 Ų110.542%0.42454%0.544SS..Hα-helixtrans-63.1-43.4176.2174.60000111F17 F18 I24 S25F17-V21 HydrophobicContact CD1-CG2 4.05Å; F17-V21 HydrophobicContact CE1-CG2 3.76Å; F17-V21 HydrophobicContact CZ-CG2 4.29Å; F17-V21 WeakPolarHBondContact O-CG2 3.2Å; F17-V21 PolarHBondContact O-N 3.09Å; F18-V21 PolarHBondContact O-N 3.33Å; V21-I24 PolarHBondContact O-N 3.24Å; V21-S25 PolarHBondContact O-N 2.61Å
22Y55.2Low50Low166 Ų166112.8 Ų112.865%0.65154%0.542SS*.Hα-helixtrans-65.4-40.1174.8-95.5-84.2000112.2F18 I24 S25 D26F18-Y22 HydrophobicContact CD1-CD2 4.36Å; F18-Y22 HydrophobicContact CD1-CE2 4.22Å; F18-Y22 WeakPolarHBondContact O-CB 3.49Å; F18-Y22 WeakPolarHBondContact O-CD2 3.26Å; F18-Y22 PolarHBondContact O-N 3.04Å; Y22-I24 PolarHBondContact O-N 3.34Å; Y22-S25 PolarHBondContact O-N 3.49Å; Y22-D26 WeakPolarHBondContact O-CB 3.26Å; Y22-D26 PolarHBondContact O-N 2.86Å
23K55Low50Low141 Ų141112.4 Ų112.461%0.61354%0.543SS*.Hα-helixtrans-61.4-42.9174.8-106.5-175.1171.7-176.30112.1Q19 A20 S25 D26 Q27Q19-K23 VanDerWaalsContact O-CB 3.28Å; Q19-K23 WeakPolarHBondContact O-CB 3.28Å; Q19-K23 PolarHBondContact O-N 3.23Å; A20-K23 PolarHBondContact O-N 3.4Å; K23-S25 VanDerWaalsContact C-N 3.34Å; K23-D26 PolarHBondContact O-N 3.22Å; K23-Q27 VanDerWaalsContact O-CB 3.32Å; K23-Q27 WeakPolarHBondContact O-CB 3.48Å; K23-Q27 VanDerWaalsContact O-CG 3.32Å; K23-Q27 WeakPolarHBondContact O-CG 3.08Å; K23-Q27 PolarHBondContact O-N 2.87Å
24I56.2Low49.5Very low74 Ų74115 Ų11538%0.37955%0.554SS.*Hα-helixtrans-64.7-42.7177.3-67.9165000109.7A20 V21 Y22 D26 L28 L69A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.47Å; A20-I24 PolarHBondContact O-N 2.86Å; V21-I24 PolarHBondContact O-N 3.24Å; Y22-I24 PolarHBondContact O-N 3.34Å; I24-D26 PolarHBondContact O-N 3.45Å; I24-L28 HydrophobicContact CG2-CD1 3.79Å; I24-L28 HydrophobicContact CG2-CG 4.43Å; I24-L28 VanDerWaalsContact O-CB 3.25Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 WeakPolarHBondContact O-CD1 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.22Å; I24-L28 PolarHBondContact O-N 3.39Å; I24-L69 HydrophobicContact CD1-CD2 4.12Å
25S51.2Low49Very low52 Ų52119.8 Ų119.836%0.36457%0.569SS.*Hα-helixtrans-62.9-40.6175.4-166.80000112.3V21 Y22 K23 L28 L29V21-S25 PolarHBondContact O-N 2.61Å; Y22-S25 PolarHBondContact O-N 3.49Å; K23-S25 VanDerWaalsContact C-N 3.34Å; S25-L28 PolarHBondContact O-N 2.71Å; S25-L29 WeakPolarHBondContact O-CB 3.49Å; S25-L29 WeakPolarHBondContact O-CD1 3.37Å; S25-L29 WeakPolarHBondContact O-CG 3.42Å; S25-L29 PolarHBondContact O-N 3.07Å
26D51.7Low48.3Very low96 Ų96120.4 Ų120.451%0.51358%0.581SS.*Hα-helixtrans-75.4-35.3-177.4-151.146.5000112Y22 K23 I24 L29 F30Y22-D26 WeakPolarHBondContact O-CB 3.26Å; Y22-D26 PolarHBondContact O-N 2.86Å; K23-D26 PolarHBondContact O-N 3.22Å; I24-D26 PolarHBondContact O-N 3.45Å; D26-L29 WeakPolarHBondContact O-CB 3.16Å; D26-L29 PolarHBondContact O-N 3.46Å; D26-F30 PolarHBondContact O-N 3.08Å
27Q50Low47.4Very low117 Ų117123.3 Ų123.355%0.54759%0.592SS.*Hα-helixtrans-68.2-36.9169.8-74.8-178.2-27.600112K23 L29 F30 L31K23-Q27 VanDerWaalsContact O-CB 3.32Å; K23-Q27 WeakPolarHBondContact O-CB 3.48Å; K23-Q27 VanDerWaalsContact O-CG 3.32Å; K23-Q27 WeakPolarHBondContact O-CG 3.08Å; K23-Q27 PolarHBondContact O-N 2.87Å; Q27-L29 VanDerWaalsContact C-N 3.31Å; Q27-F30 PolarHBondContact O-N 2.87Å; Q27-L31 WeakPolarHBondContact O-CG 3.28Å; Q27-L31 PolarHBondContact O-N 3.27Å
28L43.7Very low46.8Very low95 Ų95130.6 Ų130.650%0.49762%0.617SS.*Hα-helixtrans-68.7-29.9171.5-76.1168000112.2I24 S25 N32I24-L28 HydrophobicContact CG2-CD1 3.79Å; I24-L28 HydrophobicContact CG2-CG 4.43Å; I24-L28 VanDerWaalsContact O-CB 3.25Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 WeakPolarHBondContact O-CD1 3.3Å; I24-L28 WeakPolarHBondContact O-CG 3.22Å; I24-L28 PolarHBondContact O-N 3.39Å; S25-L28 PolarHBondContact O-N 2.71Å; L28-N32 WeakPolarHBondContact O-CB 3.27Å; L28-N32 PolarHBondContact O-N 2.67Å; L28-N32 PolarHBondContact O-ND2 3.39Å
29L44.8Very low46.4Very low107 Ų107130.1 Ų130.156%0.5663%0.628SS**Hα-helixtrans-68.2-43.4171.3-90.8151.7000111.5S25 D26 Q27 L31 N32S25-L29 WeakPolarHBondContact O-CB 3.49Å; S25-L29 WeakPolarHBondContact O-CD1 3.37Å; S25-L29 WeakPolarHBondContact O-CG 3.42Å; S25-L29 PolarHBondContact O-N 3.07Å; D26-L29 WeakPolarHBondContact O-CB 3.16Å; D26-L29 PolarHBondContact O-N 3.46Å; Q27-L29 VanDerWaalsContact C-N 3.31Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 2.83Å; L29-N32 PolarHBondContact O-N 3.43Å
30F44.6Very low46.1Very low150 Ų150130.2 Ų130.266%0.65863%0.626SS**Hα-helixtrans-69.6-28178.5-110.3-81.7000113.9D26 Q27 N32D26-F30 PolarHBondContact O-N 3.08Å; Q27-F30 PolarHBondContact O-N 2.87Å; F30-N32 VanDerWaalsContact C-N 3.32Å
31L44.7Very low45.8Very low141 Ų141133.2 Ų133.274%0.73864%0.637SS**Hα-helixtrans-79.7-15174.9-71169.4000113.1Q27 L29Q27-L31 WeakPolarHBondContact O-CG 3.28Å; Q27-L31 PolarHBondContact O-N 3.27Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 2.83Å
32N42.5Very low45.9Very low104 Ų104135 Ų13556%0.55665%0.65SS**THydrogen-bonded Turntrans-109.523.7-175.4-89-34.4000114.3L28 L29 F30 D34 R35L28-N32 WeakPolarHBondContact O-CB 3.27Å; L28-N32 PolarHBondContact O-N 2.67Å; L28-N32 PolarHBondContact O-ND2 3.39Å; L29-N32 PolarHBondContact O-N 3.43Å; F30-N32 VanDerWaalsContact C-N 3.32Å; N32-D34 PolarHBondContact O-N 3.25Å; N32-R35 PolarHBondContact O-N 3.13Å
33E45.3Very low46.3Very low166 Ų166135 Ų13578%0.77666%0.656SS**THydrogen-bonded Turntrans-52.8-14173.7-84.4-169.7151.200113.6
34D36Very low46.6Very low156 Ų156133 Ų13383%0.83465%0.649SS**THydrogen-bonded Turntrans-95.7-16.4-179.1-93.6-35.2000118.3N32N32-D34 PolarHBondContact O-N 3.25Å
35R35.3Very low46.8Very low208 Ų208134 Ų13479%0.78565%0.654SS**SBendtrans-150.9115.5-176.4-70.5-170.4-175.4-179.81.3115.6N32N32-R35 PolarHBondContact O-N 3.13Å
36T34.6Very low47.2Very low136 Ų136134.4 Ų134.483%0.83466%0.66SS**  trans52.697.7150.852.80000117R38T36-R38 PolarHBondContact O-N 3.44Å; T36-R38 VanDerWaalsContact O-N 3.17Å
37R31.6Very low47.7Very low254 Ų254136 Ų13696%0.95866%0.663SS**  trans-42.2115.9162.4-79.5176.3170.3168.4-3.5111.6
38R40.6Very low48.1Very low238 Ų238136.7 Ų136.790%0.89866%0.664SS**  trans-107.1105.3145.8-89.7-172.5176.4176.2-1.3107T36 F40T36-R38 PolarHBondContact O-N 3.44Å; T36-R38 VanDerWaalsContact O-N 3.17Å; R38-F40 PolarHBondContact O-N 3.34Å
39S44.7Very low48.8Very low102 Ų102134.6 Ų134.671%0.71366%0.661SS**PPolyproline II helixtrans-67.5122.1161.645.80000107.5D41S39-D41 PolarHBondContact O-N 3.46Å
40F48.3Very low49.4Very low123 Ų123131.9 Ų131.954%0.53965%0.654SS.*PPolyproline II helixtrans-63.8129167.8-79.8-84.6000108.8R38 E44 I45R38-F40 PolarHBondContact O-N 3.34Å; F40-E44 HydrophobicContact CD1-CB 4.22Å; F40-E44 VanDerWaalsContact CD1-OE2 3.25Å; F40-E44 WeakPolarHBondContact CD1-OE2 3.36Å; F40-I45 HydrophobicContact CB-CD1 4.1Å; F40-I45 HydrophobicContact CB-CG1 3.86Å
41D48.7Very low49.7Very low102 Ų102128.4 Ų128.455%0.54564%0.642SS.*PPolyproline II helixtrans-66.4146.7173.4-80.5-47.8000109.9S39 E43 E44 I45S39-D41 PolarHBondContact O-N 3.46Å; D41-E43 PolarHBondContact O-N 3.41Å; D41-E44 PolarHBondContact O-N 3.25Å; D41-I45 PolarHBondContact O-N 2.89Å
42P58.4Low50Low106 Ų106124.9 Ų124.969%0.68862%0.623SS**Hα-helixtrans-53.4-29.7178.7-24.532.1000113.5A46P42-A46 WeakPolarHBondContact O-CB 3.28Å; P42-A46 PolarHBondContact O-N 2.89Å
43E64.8Low50.4Low168 Ų168124.1 Ų124.179%0.78563%0.626SS**Hα-helixtrans-71.6-36.3176.3-68.8-174.8163.600113D41 A46 F47D41-E43 PolarHBondContact O-N 3.41Å; E43-A46 PolarHBondContact O-N 3.5Å; E43-F47 WeakPolarHBondContact O-CB 3.31Å; E43-F47 PolarHBondContact O-N 3.32Å
44E62Low50.6Low99 Ų99126 Ų12646%0.46363%0.627SS.*Hα-helixtrans-68.6-40.5175.7-73.5-168.6146.800111.2F40 D41 A46 F47 F48F40-E44 HydrophobicContact CD1-CB 4.22Å; F40-E44 VanDerWaalsContact CD1-OE2 3.25Å; F40-E44 WeakPolarHBondContact CD1-OE2 3.36Å; D41-E44 PolarHBondContact O-N 3.25Å; E44-A46 VanDerWaalsContact C-N 3.31Å; E44-A46 PolarHBondContact O-N 3.49Å; E44-F47 PolarHBondContact O-N 2.76Å; E44-F48 PolarHBondContact O-N 3.26Å
45I59Low51Low95 Ų95121.3 Ų121.349%0.48761%0.605SS.*Hα-helixtrans-61.9-42.6173.9-60.5176.2000110.1F40 D41 F48 A49F40-I45 HydrophobicContact CB-CD1 4.1Å; F40-I45 HydrophobicContact CB-CG1 3.86Å; D41-I45 PolarHBondContact O-N 2.89Å; I45-F48 PolarHBondContact O-N 2.66Å; I45-A49 VanDerWaalsContact O-CB 3.31Å; I45-A49 WeakPolarHBondContact O-CB 3.26Å; I45-A49 PolarHBondContact O-N 2.93Å
46A60.2Low51.5Low59 Ų59115.3 Ų115.349%0.48860%0.601SS.*Hα-helixtrans-65.1-39.1176.600000112.4P42 E43 E44 A49 A50P42-A46 WeakPolarHBondContact O-CB 3.28Å; P42-A46 PolarHBondContact O-N 2.89Å; E43-A46 PolarHBondContact O-N 3.5Å; E44-A46 VanDerWaalsContact C-N 3.31Å; E44-A46 PolarHBondContact O-N 3.49Å; A46-A49 PolarHBondContact O-N 2.8Å; A46-A50 VanDerWaalsContact O-CB 3.29Å; A46-A50 WeakPolarHBondContact O-CB 3.45Å; A46-A50 PolarHBondContact O-N 3.48Å
47F63.2Low52.2Low131 Ų131116 Ų11658%0.57560%0.599SS**Hα-helixtrans-63.6-47.1175.6-178.4-96.7000111.7E43 E44 A50 N51E43-F47 WeakPolarHBondContact O-CB 3.31Å; E43-F47 PolarHBondContact O-N 3.32Å; E44-F47 PolarHBondContact O-N 2.76Å; F47-A50 PolarHBondContact O-N 2.88Å; F47-N51 PolarHBondContact O-N 3.47Å
48F58.4Low52.9Low130 Ų130106 Ų10657%0.5756%0.564SS**Hα-helixtrans-61.8-43.9175.5-97.9-82.6000111.8E44 I45 A50 N51 I52E44-F48 PolarHBondContact O-N 3.26Å; I45-F48 PolarHBondContact O-N 2.66Å; F48-A50 PolarHBondContact O-N 2.92Å; F48-N51 PolarHBondContact O-N 3.36Å; F48-I52 VanDerWaalsContact O-CG1 3.28Å; F48-I52 WeakPolarHBondContact O-CG1 3.29Å; F48-I52 PolarHBondContact O-N 3.47Å
49A57.1Low53.2Low52 Ų52101.4 Ų101.443%0.4356%0.557SS.*Hα-helixtrans-62.7-40.2176.500000112.5I45 A46 S53I45-A49 VanDerWaalsContact O-CB 3.31Å; I45-A49 WeakPolarHBondContact O-CB 3.26Å; I45-A49 PolarHBondContact O-N 2.93Å; A46-A49 PolarHBondContact O-N 2.8Å; A49-S53 PolarHBondContact O-N 2.96Å; A49-S53 VanDerWaalsContact O-N 3.13Å
50A56.6Low53.5Low50 Ų50103.3 Ų103.341%0.41356%0.559SS.*Hα-helixtrans-67.5-40.3177.600000112.1A46 F47 F48 S53 R54A46-A50 VanDerWaalsContact O-CB 3.29Å; A46-A50 WeakPolarHBondContact O-CB 3.45Å; A46-A50 PolarHBondContact O-N 3.48Å; F47-A50 PolarHBondContact O-N 2.88Å; F48-A50 PolarHBondContact O-N 2.92Å; A50-S53 PolarHBondContact O-N 2.92Å; A50-S53 PolarHBondContact O-OG 3.27Å; A50-R54 PolarHBondContact O-N 3.44Å
51N52.5Low53.5Low76 Ų7699.3 Ų99.341%0.40655%0.547SS..Hα-helixtrans-69.8-35.4177.5-100.4-5.9000112.9F47 F48 S53 R54F47-N51 PolarHBondContact O-N 3.47Å; F48-N51 PolarHBondContact O-N 3.36Å; N51-S53 VanDerWaalsContact C-N 3.27Å; N51-S53 PolarHBondContact O-N 3.28Å; N51-R54 PolarHBondContact O-N 3.03Å
52I50.7Low53.5Low67 Ų6797.4 Ų97.434%0.34454%0.539SS..Hα-helixtrans-63.7-37.6172.4-67.2165.3000110.4F17 F48 R54 S55 L58F17-I52 HydrophobicContact CE1-CD1 4.26Å; F17-I52 HydrophobicContact CE1-CG2 4.14Å; F17-I52 HydrophobicContact CZ-CD1 4.2Å; F17-I52 HydrophobicContact CZ-CG2 3.77Å; F48-I52 VanDerWaalsContact O-CG1 3.28Å; F48-I52 WeakPolarHBondContact O-CG1 3.29Å; F48-I52 PolarHBondContact O-N 3.47Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.49Å; I52-S55 PolarHBondContact O-N 2.82Å; I52-L58 HydrophobicContact CG2-CD2 4.44Å
53S50Low53.4Low89 Ų89102.4 Ų102.462%0.62254%0.544SS*.Hα-helixtrans-69.7-24.4178.975.60000114.5A49 A50 N51 S55A49-S53 PolarHBondContact O-N 2.96Å; A49-S53 VanDerWaalsContact O-N 3.13Å; A50-S53 PolarHBondContact O-N 2.92Å; A50-S53 PolarHBondContact O-OG 3.27Å; N51-S53 VanDerWaalsContact C-N 3.27Å; N51-S53 PolarHBondContact O-N 3.28Å; S53-S55 VanDerWaalsContact C-N 3.3Å
54R51Low53.1Low206 Ų206100 Ų10078%0.77754%0.536SS*.Hα-helixtrans-75-19.7176.4-89-177.1168.6169.3-3.2113.6A50 N51 I52 A56A50-R54 PolarHBondContact O-N 3.44Å; N51-R54 PolarHBondContact O-N 3.03Å; I52-R54 VanDerWaalsContact C-N 3.32Å; I52-R54 PolarHBondContact O-N 3.49Å; R54-A56 PolarHBondContact O-N 2.96Å
55S43Very low52.9Low56 Ų5698.7 Ų98.739%0.39253%0.531SS..  trans-75.371.9169.1-60.50000109I52 S53 N57 L58I52-S55 PolarHBondContact O-N 2.82Å; S53-S55 VanDerWaalsContact C-N 3.3Å; S55-N57 PolarHBondContact O-N 3.37Å; S55-L58 VanDerWaalsContact CB-CD1 3.45Å; S55-L58 WeakPolarHBondContact O-CB 3.5Å; S55-L58 PolarHBondContact O-N 3.46Å
56A46.1Very low53.1Low83 Ų8399 Ų9969%0.68653%0.534SS*.THydrogen-bonded Turntrans-65.1-18.5170.100000111.6R54 L58R54-A56 PolarHBondContact O-N 2.96Å; A56-L58 PolarHBondContact O-N 3.19Å
57N50.4Low53.5Low150 Ų15098.9 Ų98.980%0.80253%0.533SS*.THydrogen-bonded Turntrans-76.6-4.4168.3-69.5-13.4000113.3S55 L59 N60S55-N57 PolarHBondContact O-N 3.37Å; N57-L59 PolarHBondContact O-N 3.31Å; N57-N60 PolarHBondContact O-N 2.88Å
58L44.8Very low53.7Low43 Ų4398.4 Ų98.423%0.22553%0.53CS..Hα-helixtrans-65.2-23.2-177.4-142.690.4000111.5I52 S55 A56 N60 S61 V62I52-L58 HydrophobicContact CG2-CD2 4.44Å; S55-L58 VanDerWaalsContact CB-CD1 3.45Å; S55-L58 WeakPolarHBondContact O-CB 3.5Å; S55-L58 PolarHBondContact O-N 3.46Å; A56-L58 PolarHBondContact O-N 3.19Å; L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 3.39Å; L58-S61 WeakPolarHBondContact CG-OG 3.44Å; L58-S61 CarbonylContact O-C 3.1Å; L58-S61 WeakPolarHBondContact O-CA 3.25Å; L58-S61 WeakPolarHBondContact O-CB 3.41Å; L58-S61 PolarHBondContact O-N 3.29Å; L58-V62 HydrophobicContact CD2-CG2 4.4Å; L58-V62 WeakPolarHBondContact O-CG2 3.32Å; L58-V62 PolarHBondContact O-N 2.83Å
59L46.7Very low54Low142 Ų14294.5 Ų94.574%0.74352%0.515SS*.Hα-helixtrans-59-34.5-178.9-95.4153.2000114N57N57-L59 PolarHBondContact O-N 3.31Å
60N51Low54.6Low143 Ų14395.6 Ų95.677%0.76552%0.517SS*.Hα-helixtrans-78.9-32.4169.5-75.7-26000111.7N57 L58 V62N57-N60 PolarHBondContact O-N 2.88Å; L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 3.39Å; N60-V62 VanDerWaalsContact C-N 3.25Å; N60-V62 PolarHBondContact O-N 3.3Å
61S48.1Very low55.1Low39 Ų3996.1 Ų96.127%0.27352%0.517SS..Hα-helixtrans-72.8-9.2170.6139.40000113.9L58 D64 M65L58-S61 WeakPolarHBondContact CG-OG 3.44Å; L58-S61 CarbonylContact O-C 3.1Å; L58-S61 WeakPolarHBondContact O-CA 3.25Å; L58-S61 WeakPolarHBondContact O-CB 3.41Å; L58-S61 PolarHBondContact O-N 3.29Å; S61-D64 CarbonylContact O-C 3.51Å; S61-D64 PolarHBondContact O-N 3.33Å; S61-M65 VanDerWaalsContact O-CB 3.31Å; S61-M65 WeakPolarHBondContact O-CB 3.34Å; S61-M65 VanDerWaalsContact O-CG 3.23Å; S61-M65 WeakPolarHBondContact O-CG 3.32Å; S61-M65 PolarHBondContact O-N 3.34Å
62V50Low55.4Low62 Ų6295.3 Ų95.338%0.37651%0.513SS..Hα-helixtrans-73.6-36.9178.1171.90000109.2L58 N60 D64 M65 D66L58-V62 HydrophobicContact CD2-CG2 4.4Å; L58-V62 WeakPolarHBondContact O-CG2 3.32Å; L58-V62 PolarHBondContact O-N 2.83Å; N60-V62 VanDerWaalsContact C-N 3.25Å; N60-V62 PolarHBondContact O-N 3.3Å; V62-D64 VanDerWaalsContact C-N 3.32Å; V62-M65 PolarHBondContact O-N 3.46Å; V62-D66 PolarHBondContact O-N 2.82Å
63R56.8Low55.9Low210 Ų21098.5 Ų98.579%0.79253%0.526SS*.Hα-helixtrans-65.1-39.2171-76.4-175.8168.8176.1-2.7111.4M65 A67R63-M65 VanDerWaalsContact C-N 3.33Å; R63-A67 PolarHBondContact O-N 3.09Å; R63-A67 VanDerWaalsContact O-N 3.09Å
64D58.2Low56.6Low117 Ų117100.4 Ų100.463%0.62653%0.53SS*.Hα-helixtrans-68.9-31.7172.7-79.3-26.9000112.5S61 V62 A67 F68S61-D64 CarbonylContact O-C 3.51Å; S61-D64 PolarHBondContact O-N 3.33Å; V62-D64 VanDerWaalsContact C-N 3.32Å; D64-A67 PolarHBondContact O-N 2.86Å; D64-F68 WeakPolarHBondContact O-CB 3.47Å; D64-F68 PolarHBondContact O-N 2.87Å
65M56.7Low57.2Low72 Ų72100.5 Ų100.536%0.35553%0.53SS..Hα-helixtrans-71.4-40.9175.6-82.4-74.3-6600111.5S61 V62 R63 A67 F68 L69S61-M65 VanDerWaalsContact O-CB 3.31Å; S61-M65 WeakPolarHBondContact O-CB 3.34Å; S61-M65 VanDerWaalsContact O-CG 3.23Å; S61-M65 WeakPolarHBondContact O-CG 3.32Å; S61-M65 PolarHBondContact O-N 3.34Å; V62-M65 PolarHBondContact O-N 3.46Å; R63-M65 VanDerWaalsContact C-N 3.33Å; M65-A67 VanDerWaalsContact C-N 3.33Å; M65-F68 PolarHBondContact O-N 3.22Å; M65-L69 VanDerWaalsContact O-CB 3.3Å; M65-L69 WeakPolarHBondContact O-CB 3.2Å; M65-L69 VanDerWaalsContact O-CG 3.22Å; M65-L69 WeakPolarHBondContact O-CG 3.25Å; M65-L69 PolarHBondContact O-N 3.07Å
66D64.2Low57.6Low102 Ų102103.3 Ų103.355%0.54554%0.539SS..Hα-helixtrans-63-41.9173-89.7-13.7000110.5V62 F68 L69 T70V62-D66 PolarHBondContact O-N 2.82Å; D66-F68 VanDerWaalsContact C-N 3.35Å; D66-F68 PolarHBondContact O-N 3.48Å; D66-L69 PolarHBondContact O-N 3.24Å; D66-T70 WeakPolarHBondContact O-CB 3.47Å; D66-T70 PolarHBondContact O-N 3.34Å; D66-T70 PolarHBondContact O-OG1 3.48Å
67A68.4Low57.8Low57 Ų57102.4 Ų102.447%0.47153%0.532SS..Hα-helixtrans-63.5-40173.800000112.2R63 D64 M65 S71R63-A67 PolarHBondContact O-N 3.09Å; R63-A67 VanDerWaalsContact O-N 3.09Å; D64-A67 PolarHBondContact O-N 2.86Å; M65-A67 VanDerWaalsContact C-N 3.33Å; A67-S71 VanDerWaalsContact O-CB 3.26Å; A67-S71 WeakPolarHBondContact O-CB 3.35Å; A67-S71 PolarHBondContact O-N 3.39Å
68F66.1Low57.3Low120 Ų120101 Ų10153%0.52653%0.528SS..Hα-helixtrans-69.2-42177.6-177.4-104.7000112.6D64 M65 D66 S71 L72D64-F68 WeakPolarHBondContact O-CB 3.47Å; D64-F68 PolarHBondContact O-N 2.87Å; M65-F68 PolarHBondContact O-N 3.22Å; D66-F68 VanDerWaalsContact C-N 3.35Å; D66-F68 PolarHBondContact O-N 3.48Å; F68-S71 WeakPolarHBondContact O-CB 3.46Å; F68-S71 PolarHBondContact O-N 2.85Å; F68-L72 HydrophobicContact CD1-CD1 3.82Å; F68-L72 HydrophobicContact CE1-CD1 3.31Å; F68-L72 HydrophobicContact CE1-CG 4.24Å; F68-L72 HydrophobicContact CZ-CD1 3.75Å; F68-L72 HydrophobicContact CZ-CG 4.3Å; F68-L72 WeakPolarHBondContact O-CB 3.48Å; F68-L72 PolarHBondContact O-N 3.27Å
69L65.2Low57.4Low48 Ų48103.5 Ų103.525%0.25155%0.547SS..Hα-helixtrans-65.8-42175.1-72.5172.5000110.9I24 M65 D66 S71 L72 E73I24-L69 HydrophobicContact CD1-CD2 4.12Å; M65-L69 VanDerWaalsContact O-CB 3.3Å; M65-L69 WeakPolarHBondContact O-CB 3.2Å; M65-L69 VanDerWaalsContact O-CG 3.22Å; M65-L69 WeakPolarHBondContact O-CG 3.25Å; M65-L69 PolarHBondContact O-N 3.07Å; D66-L69 PolarHBondContact O-N 3.24Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.48Å; L69-L72 PolarHBondContact O-N 3.35Å; L69-E73 WeakPolarHBondContact O-CG 3.42Å; L69-E73 PolarHBondContact O-N 2.92Å
70T69.9Low57.3Low75 Ų75106.7 Ų106.746%0.4656%0.555SS.*Hα-helixtrans-63.2-41.5174.7-50.50000110.9D66 L72 E73 D74D66-T70 WeakPolarHBondContact O-CB 3.47Å; D66-T70 PolarHBondContact O-N 3.34Å; D66-T70 PolarHBondContact O-OG1 3.48Å; T70-L72 VanDerWaalsContact C-N 3.34Å; T70-L72 PolarHBondContact O-N 2.83Å; T70-E73 PolarHBondContact O-N 3.43Å; T70-D74 PolarHBondContact O-N 3.48Å
71S67.9Low56.9Low61 Ų61107.3 Ų107.343%0.42756%0.557SS.*Hα-helixtrans-63.4-37.3174.4-1800000112.6A67 F68 L69 R75A67-S71 VanDerWaalsContact O-CB 3.26Å; A67-S71 WeakPolarHBondContact O-CB 3.35Å; A67-S71 PolarHBondContact O-N 3.39Å; F68-S71 WeakPolarHBondContact O-CB 3.46Å; F68-S71 PolarHBondContact O-N 2.85Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.48Å; S71-R75 WeakPolarHBondContact O-CB 3.19Å; S71-R75 VanDerWaalsContact O-CG 3.25Å; S71-R75 WeakPolarHBondContact O-CG 3.45Å; S71-R75 PolarHBondContact O-N 2.88Å; S71-R75 VanDerWaalsContact O-N 3.09Å
72L58.8Low56.7Low60 Ų60114.1 Ų114.131%0.31458%0.582SS.*Hα-helixtrans-70.3-41.8173.7-83.9170.7000112.3F68 L69 T70 R75 I76F68-L72 HydrophobicContact CD1-CD1 3.82Å; F68-L72 HydrophobicContact CE1-CD1 3.31Å; F68-L72 HydrophobicContact CE1-CG 4.24Å; F68-L72 HydrophobicContact CZ-CD1 3.75Å; F68-L72 HydrophobicContact CZ-CG 4.3Å; F68-L72 WeakPolarHBondContact O-CB 3.48Å; F68-L72 PolarHBondContact O-N 3.27Å; L69-L72 PolarHBondContact O-N 3.35Å; T70-L72 VanDerWaalsContact C-N 3.34Å; T70-L72 PolarHBondContact O-N 2.83Å; L72-R75 PolarHBondContact O-N 3.28Å; L72-I76 WeakPolarHBondContact O-CB 3.45Å; L72-I76 WeakPolarHBondContact O-CD1 3.38Å; L72-I76 WeakPolarHBondContact O-CG1 3.35Å; L72-I76 PolarHBondContact O-N 2.95Å
73E61.4Low56.3Low134 Ų134121.6 Ų121.663%0.62661%0.61SS**Hα-helixtrans-62-42.6175.8-75.7-173160.300111.4L69 T70 R75 I76 A77L69-E73 WeakPolarHBondContact O-CG 3.42Å; L69-E73 PolarHBondContact O-N 2.92Å; T70-E73 PolarHBondContact O-N 3.43Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.46Å; E73-I76 PolarHBondContact O-N 2.94Å; E73-A77 VanDerWaalsContact O-CB 3.26Å; E73-A77 WeakPolarHBondContact O-CB 3.39Å; E73-A77 PolarHBondContact O-N 3.28Å
74D64.2Low55.8Low129 Ų129120.6 Ų120.669%0.6961%0.611SS**Hα-helixtrans-65.7-34.1175.2-93-6.9000112.6T70T70-D74 PolarHBondContact O-N 3.48Å
75R63.8Low55.2Low208 Ų208125 Ų12579%0.78562%0.624SS**Hα-helixtrans-75.7-29.6175.4-73.5179.178.7-173.35113.3S71 L72 E73S71-R75 WeakPolarHBondContact O-CB 3.19Å; S71-R75 VanDerWaalsContact O-CG 3.25Å; S71-R75 WeakPolarHBondContact O-CG 3.45Å; S71-R75 PolarHBondContact O-N 2.88Å; S71-R75 VanDerWaalsContact O-N 3.09Å; L72-R75 PolarHBondContact O-N 3.28Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.46Å
76I51.1Low54.7Low114 Ų114131.4 Ų131.459%0.58565%0.65SS**Hα-helixtrans-89.8-16.8179.6-63.5165.6000111.4L72 E73 V78L72-I76 WeakPolarHBondContact O-CB 3.45Å; L72-I76 WeakPolarHBondContact O-CD1 3.38Å; L72-I76 WeakPolarHBondContact O-CG1 3.35Å; L72-I76 PolarHBondContact O-N 2.95Å; E73-I76 PolarHBondContact O-N 2.94Å; I76-V78 VanDerWaalsContact C-N 3.28Å; I76-V78 WeakPolarHBondContact O-CG2 3.25Å; I76-V78 PolarHBondContact O-N 3.1Å
77A49.4Very low53.6Low64 Ų64136 Ų13653%0.52967%0.666SS.*  trans-6086.1178.200000111.7E73E73-A77 VanDerWaalsContact O-CB 3.26Å; E73-A77 WeakPolarHBondContact O-CB 3.39Å; E73-A77 PolarHBondContact O-N 3.28Å
78V40.6Very low52.3Low120 Ų120143 Ų14373%0.72769%0.686SS**  trans-60.1124.4168.7-174.60000106.5I76 K80I76-V78 VanDerWaalsContact C-N 3.28Å; I76-V78 WeakPolarHBondContact O-CG2 3.25Å; I76-V78 PolarHBondContact O-N 3.1Å; V78-K80 PolarHBondContact O-N 2.7Å
79P46.7Very low51.3Low96 Ų96148 Ų14862%0.62370%0.701SS**  trans-54122.9177.9-21.830.6000108.5L81P79-L81 HydrophobicContact CB-CD1 4.42Å; P79-L81 HydrophobicContact CB-CG 4.21Å; P79-L81 PolarHBondContact O-N 3.06Å
80K45.2Very low50.1Low209 Ų209152.1 Ų152.191%0.90973%0.728SS**  trans-64.779167.1-72.4-169.9178.2177.10108.2V78 K82V78-K80 PolarHBondContact O-N 2.7Å; K80-K82 PolarHBondContact O-N 2.69Å; K80-K82 VanDerWaalsContact O-N 3.1Å
81L43Very low48.5Very low156 Ų156153.7 Ų153.782%0.81774%0.74SS**  trans-74.5105.9176.3-86.3162.1000108.7P79P79-L81 HydrophobicContact CB-CD1 4.42Å; P79-L81 HydrophobicContact CB-CG 4.21Å; P79-L81 PolarHBondContact O-N 3.06Å
82K43.3Very low47.5Very low182 Ų182157.1 Ų157.179%0.79175%0.752SS**  trans-23.8126.5173.6-61.6175.9178.61780113.9K80 K84K80-K82 PolarHBondContact O-N 2.69Å; K80-K82 VanDerWaalsContact O-N 3.1Å; K82-K84 PolarHBondContact O-N 3.22Å
83K42Very low46.4Very low220 Ų220160 Ų16096%0.95778%0.777SS**  trans-42.6108.4165.6-70.9178.7176.3176.10110.4
84K44.7Very low45.5Very low189 Ų189163.4 Ų163.482%0.82279%0.785SS**  trans-134.2111.6170.1-89.2-171.9174.6179.60111.5K82K82-K84 PolarHBondContact O-N 3.22Å
85K47.5Very low44.4Very low208 Ų208161.1 Ų161.190%0.90478%0.779SS**  trans44.7107.8152.6-66.4-175.1175.7-179.60119.7
86K44.9Very low43.4Very low207 Ų207156.2 Ų156.290%0.978%0.777SS**  trans30113.2145.7-68.8-175.4176.3-179.60118.5K88K86-K88 PolarHBondContact O-N 2.94Å
87K40.7Very low43.2Very low199 Ų199158.7 Ų158.787%0.86579%0.786SS**  trans-49125.5162.4-71178174.4179.60111.4
88K42.8Very low42.8Very low205 Ų205165.8 Ų165.889%0.89180%0.801SS**  trans-78.7110.8152-79.2-175.9176.8-179.60107K86K86-K88 PolarHBondContact O-N 2.94Å
89R43.3Very low42.7Very low225 Ų225171.3 Ų171.385%0.84981%0.808SS**  trans-71.3123163.5-78.6-172.6-80.5-166.1-2.7106.9C91R89-C91 PolarHBondContact O-N 3.04Å
90V41.3Very low42.1Very low134 Ų134176.3 Ų176.381%0.81282%0.82SS**  trans-68.6114.3162.9176.20000106
91C36.7Very low41.6Very low107 Ų107171.8 Ų171.872%0.72381%0.814SS**  trans-83.2120.5169.9-680000107.8R89 C93R89-C91 PolarHBondContact O-N 3.04Å; C91-C93 PolarHBondContact O-N 2.92Å
92I45.4Very low41.3Very low133 Ų133169.8 Ų169.868%0.68281%0.813SS**  trans-79.3110.5164-57.4174000105.8Y94I92-Y94 HydrophobicContact CG2-CD2 4.13Å; I92-Y94 HydrophobicContact CG2-CE2 3.77Å; I92-Y94 PolarHBondContact O-N 2.87Å
93C36Very low41.2Very low122 Ų122170.2 Ų170.282%0.82482%0.817SS**  trans-70.4107.4174.4-65.60000109.3C91C91-C93 PolarHBondContact O-N 2.92Å
94Y43.5Very low41.2Very low204 Ų204162.8 Ų162.880%0.880%0.803SS**  trans-91116.4157.1-78.2-88000107.2I92 S96I92-Y94 HydrophobicContact CG2-CD2 4.13Å; I92-Y94 HydrophobicContact CG2-CE2 3.77Å; I92-Y94 PolarHBondContact O-N 2.87Å; Y94-S96 PolarHBondContact O-N 3.39Å; Y94-S96 VanDerWaalsContact O-N 3.15Å
95S41.2Very low41Very low82 Ų82159.5 Ų159.557%0.57380%0.804SS**  trans-49.5122170.51710000109.1E97S95-E97 PolarHBondContact O-N 3.28Å
96S42Very low41Very low105 Ų105158.8 Ų158.873%0.73480%0.804SS**G310 helixtrans-69.24.9-178.643.40000113.9Y94Y94-S96 PolarHBondContact O-N 3.39Å; Y94-S96 VanDerWaalsContact O-N 3.15Å
97E46.5Very low41.1Very low165 Ų165151.4 Ų151.477%0.77179%0.786SS**G310 helixtrans-93.7-6.5-174.4-75.7178.7151.800115.3S95 R99S95-E97 PolarHBondContact O-N 3.28Å; E97-R99 VanDerWaalsContact C-N 3.31Å; E97-R99 PolarHBondContact O-N 2.85Å
98Y41Very low41.7Very low213 Ų213147.7 Ų147.784%0.83578%0.782SS**G310 helixtrans-83.82.5174.9-99.8-89.4000115K100Y98-K100 VanDerWaalsContact C-N 3.33Å; Y98-K100 PolarHBondContact O-N 3.41Å
99R37.9Very low42.6Very low237 Ų237144 Ų14489%0.89478%0.78SS**THydrogen-bonded Turntrans-87.122-176.8-70.8-164.1-174.4-164.12.8115.6E97E97-R99 VanDerWaalsContact C-N 3.31Å; E97-R99 PolarHBondContact O-N 2.85Å
100K36.1Very low42.9Very low201 Ų201136.2 Ų136.287%0.87477%0.769SS**THydrogen-bonded Turntrans-114.18.3179-85-173.1179.4179.10116.5Y98Y98-K100 VanDerWaalsContact C-N 3.33Å; Y98-K100 PolarHBondContact O-N 3.41Å
101C34.6Very low43.5Very low113 Ų113136.2 Ų136.276%0.76477%0.772SS**SBendtrans-98.3109.8165.6-64.20000108.6H103C101-H103 PolarHBondContact O-N 3.07Å
102S36.8Very low44.4Very low115 Ų115138 Ų13880%0.80478%0.779SS**  trans-51.7113.9162.342.70000107.5G104S102-G104 PolarHBondContact O-N 3.42Å
103H40.8Very low44.2Very low190 Ų190134.5 Ų134.588%0.8878%0.776SS**PPolyproline II helixtrans-56.1118.5174.5-128.114.3000106.8C101 S105C101-H103 PolarHBondContact O-N 3.07Å; H103-S105 PolarHBondContact O-N 2.99Å
104G40.5Very low44.7Very low65 Ų65138.2 Ų138.267%0.6778%0.778SS**PPolyproline II helixtrans-52.5139175.300000108.9S102 Q106S102-G104 PolarHBondContact O-N 3.42Å; G104-Q106 PolarHBondContact O-N 3.47Å; G104-Q106 VanDerWaalsContact O-N 3.16Å
105S42Very low45.1Very low119 Ų119134.5 Ų134.583%0.83278%0.779SS**PPolyproline II helixtrans-50.4125.6178.448.40000109.2H103 G107H103-S105 PolarHBondContact O-N 2.99Å; S105-G107 PolarHBondContact O-N 3.23Å; S105-G107 VanDerWaalsContact O-N 3.14Å
106Q46.9Very low45.2Very low194 Ų194133.7 Ų133.791%0.90778%0.784SS**PPolyproline II helixtrans-50.5123.9174.6-173.3172.818.300108.2G104G104-Q106 PolarHBondContact O-N 3.47Å; G104-Q106 VanDerWaalsContact O-N 3.16Å
107G46.3Very low45.4Very low51 Ų51137 Ų13753%0.52679%0.792SS.*PPolyproline II helixtrans-56.2155.4176.400000110.6S105S105-G107 PolarHBondContact O-N 3.23Å; S105-G107 VanDerWaalsContact O-N 3.14Å
108P54.2Low45.3Very low121 Ų121136.9 Ų136.979%0.78680%0.797SS**PPolyproline II helixtrans-53.9142.1178.123.7-32.9000109.7G110P108-G110 PolarHBondContact O-N 3.47Å
109P61.4Low45.4Very low129 Ų129130.1 Ų130.184%0.83879%0.792SS**PPolyproline II helixtrans-49.7134.5173-25.834000110.2
110G48.8Very low45.8Very low60 Ų60128.3 Ų128.362%0.61979%0.794SS**PPolyproline II helixtrans-57.5157.7176.500000111.6P108 V112P108-G110 PolarHBondContact O-N 3.47Å; G110-V112 PolarHBondContact O-N 3.39Å
111P55.9Low46.4Very low134 Ų134127 Ų12787%0.8780%0.795SS**PPolyproline II helixtrans-57.4139.2179.425-33.3000110.4G113P111-G113 PolarHBondContact O-N 3.38Å
112V54.3Low47Very low144 Ų144124.9 Ų124.987%0.87379%0.793SS**PPolyproline II helixtrans-57.1123.8175.3179.40000108.3G110G110-V112 PolarHBondContact O-N 3.39Å
113G42.2Very low47.7Very low61 Ų61126.3 Ų126.363%0.62980%0.796SS**PPolyproline II helixtrans-57.4140.917700000110.9P111P111-G113 PolarHBondContact O-N 3.38Å
114K46.8Very low48.3Very low200 Ų200124.7 Ų124.787%0.8779%0.794SS**PPolyproline II helixtrans-57.2135.2177.9-66.9179.2-1781750109.3G116K114-G116 PolarHBondContact O-N 3.26Å
115P51.7Low48.7Very low125 Ų125125 Ų12581%0.81280%0.797SS**PPolyproline II helixtrans-51.9136.4172.8-25.433.9000110.6
116G42.8Very low49.1Very low65 Ų65127.2 Ų127.267%0.6780%0.799SS**PPolyproline II helixtrans-61.914817400000110.6K114 D118K114-G116 PolarHBondContact O-N 3.26Å; G116-D118 PolarHBondContact O-N 3.32Å
117L45.1Very low49.7Very low175 Ų175123.9 Ų123.992%0.91679%0.794SS**PPolyproline II helixtrans-62.7135.2173.2-65.9167.9000109.3G119L117-G119 PolarHBondContact O-N 3.17Å
118D45.9Very low50.1Low163 Ų163125 Ų12587%0.87281%0.805SS**PPolyproline II helixtrans-58.4130.6173.9-65.7-39.1000109.5G116G116-D118 PolarHBondContact O-N 3.32Å
119G43.4Very low50.5Low71 Ų71128 Ų12873%0.73281%0.809SS**PPolyproline II helixtrans-67140.6178.300000111.3L117 L121L117-G119 PolarHBondContact O-N 3.17Å; G119-L121 PolarHBondContact O-N 3.29Å
120E46.4Very low50.8Low198 Ų198127.7 Ų127.793%0.92581%0.807SS**PPolyproline II helixtrans-57.5129.3175.5-69.6-172.7156.500110.8G122E120-G122 PolarHBondContact O-N 2.83Å
121L47.2Very low51.3Low173 Ų173128.3 Ų128.391%0.90681%0.814SS**PPolyproline II helixtrans-59.7118.2175-79.5157.4000109.4G119 V123G119-L121 PolarHBondContact O-N 3.29Å; L121-V123 PolarHBondContact O-N 3.43Å
122G47.4Very low51.1Low70 Ų70131.7 Ų131.772%0.72282%0.815SS**PPolyproline II helixtrans-59.8133.4174.600000111E120 N124E120-G122 PolarHBondContact O-N 2.83Å; G122-N124 PolarHBondContact O-N 3.37Å
123V52.5Low50.9Low144 Ų144132.8 Ų132.887%0.87382%0.815SS**PPolyproline II helixtrans-62.6133.2174.7-68.70000110.2L121 G125L121-V123 PolarHBondContact O-N 3.43Å; V123-G125 PolarHBondContact O-N 3.44Å
124N52Low50.9Low157 Ų157134.8 Ų134.884%0.8483%0.826SS**PPolyproline II helixtrans-59.5135.7172.2-69.1-37.2000109.3G122G122-N124 PolarHBondContact O-N 3.37Å
125G48.7Very low50.7Low71 Ų71135.5 Ų135.573%0.73282%0.823SS**PPolyproline II helixtrans-60.9143.1174.200000111.3V123V123-G125 PolarHBondContact O-N 3.44Å
126L51.4Low50Low166 Ų166133.8 Ų133.887%0.86982%0.82SS**PPolyproline II helixtrans-59.3139.3176.4-69.1169000110.3G128L126-G128 PolarHBondContact O-N 3.31Å
127P60.2Low50Low124 Ų124140.2 Ų140.281%0.80583%0.825SS**PPolyproline II helixtrans-53.6135.4173.4-24.533.5000111.2
128G53.7Low49.8Very low73 Ų73138 Ų13875%0.75382%0.818SS**PPolyproline II helixtrans-62.4143.7179.300000112.1L126L126-G128 PolarHBondContact O-N 3.31Å
129E63.4Low49.5Very low184 Ų184137.6 Ų137.686%0.8682%0.816SS**PPolyproline II helixtrans-59136.4178.1-65.9-172.9155.400111.3G131E129-G131 PolarHBondContact O-N 3.11Å
130P67.5Low49.2Very low123 Ų123139.4 Ų139.480%0.79981%0.814SS**PPolyproline II helixtrans-55.5130.4174.3-23.833000111.4
131G59.5Low49Very low74 Ų74138.1 Ų138.176%0.76381%0.808SS**PPolyproline II helixtrans-61.9137.3178.300000112E129E129-G131 PolarHBondContact O-N 3.11Å
132K52.3Low48.7Very low205 Ų205137.8 Ų137.889%0.89180%0.802SS**PPolyproline II helixtrans-65.8137.3179.1-56.4176.4-175.61790110.6A134K132-A134 PolarHBondContact O-N 3.33Å
133D49.6Very low48.1Very low166 Ų166138.6 Ų138.689%0.88880%0.796SS**PPolyproline II helixtrans-54.5118.8-178.5-62.3-45.8000112.3R135D133-R135 PolarHBondContact O-N 3.41Å
134A42.4Very low47.5Very low103 Ų103142.1 Ų142.185%0.85180%0.795SS**  trans-80.5114.8177.400000110.6K132K132-A134 PolarHBondContact O-N 3.33Å
135R41.5Very low46.7Very low215 Ų215142.6 Ų142.681%0.81179%0.792SS**  trans-79.9119.8173.5-158.2171.3-178.3155.4-0.1109.1D133D133-R135 PolarHBondContact O-N 3.41Å
136A38.1Very low45.9Very low90 Ų90145.2 Ų145.274%0.74480%0.798SS**  trans-80.3139.9-176.100000113.2
137Y42.5Very low45.3Very low200 Ų200143.6 Ų143.678%0.78479%0.79SS**  trans-136149.4158-68.8-79.4000109
138V39.8Very low44.5Very low127 Ų127142.6 Ų142.677%0.7779%0.786SS**  trans-105.9121.8-164.6171.70000111.8
139L39.3Very low44Very low155 Ų155144.7 Ų144.781%0.81279%0.786SS**  trans55.3160.8146.9-63.5168.4000119.3
140P38.1Very low42.8Very low109 Ų109139.5 Ų139.571%0.70878%0.781SS**  cis-136.6167.918.840.6-20.5000117.3
141E43.1Very low41.4Very low171 Ų171137.3 Ų137.380%0.79978%0.782SS**SBendtrans89101.5163.2-50.9-169.5166.800119.4
142E40.7Very low40.6Very low167 Ų167141.6 Ų141.678%0.7879%0.786SS**  trans70.868.5141.9-58.6174.9178.400120.1
143C34.6Very low40.3Very low86 Ų86137.6 Ų137.658%0.58178%0.781SS**  93.3147.978.174.90000116.5
144Y39.6Very low39.7Very low218 Ų218132.7 Ų132.786%0.85577%0.769SS**  cis-145.2146.13.4-74.5-75.7000112
145Q34Very low40.1Very low168 Ų168133.3 Ų133.379%0.78577%0.765SS**  trans-120.4122.8174.5-154.5169.2-0.900107.4L147Q145-L147 VanDerWaalsContact C-N 3.29Å; Q145-L147 HydrophobicContact CG-CD1 3.72Å; Q145-L147 PolarHBondContact O-N 3.42Å; Q145-L147 VanDerWaalsContact O-N 3.11Å
146C33.8Very low40.6Very low126 Ų126128.9 Ų128.985%0.85176%0.764SS**  trans-87.467.9176.5-71.70000110.9
147L37.3Very low40.8Very low132 Ų132127.6 Ų127.669%0.69176%0.76SS**  trans-84.793.3149.1-82.484.9000105.7Q145 P149Q145-L147 VanDerWaalsContact C-N 3.29Å; Q145-L147 HydrophobicContact CG-CD1 3.72Å; Q145-L147 PolarHBondContact O-N 3.42Å; Q145-L147 VanDerWaalsContact O-N 3.11Å; L147-P149 WeakPolarHBondContact O-CD 3.17Å
148S42.9Very low40.9Very low103 Ų103127 Ų12772%0.7276%0.764SS**  trans-78.8114.3172.4-600000108.2
149P43.3Very low41.1Very low117 Ų117129.9 Ų129.976%0.7677%0.768SS**  trans-57.6144.5161.726.8-31.3000107.3L147 G151L147-P149 WeakPolarHBondContact O-CD 3.17Å; P149-G151 PolarHBondContact O-N 3.23Å
150G38.3Very low41.1Very low74 Ų74125.7 Ų125.776%0.76376%0.763SS**SBendtrans-43.2136.9-178.700000111.6L152G150-L152 PolarHBondContact O-N 3.26Å
151G38.6Very low41.4Very low78 Ų78128 Ų12880%0.80477%0.768SS**  trans-48132.2-173.300000111.7P149P149-G151 PolarHBondContact O-N 3.23Å
152L42.5Very low41.1Very low164 Ų164125.4 Ų125.486%0.85976%0.758SS**  trans-51.4144175.4-72.6162.2000109.7G150 G154G150-L152 PolarHBondContact O-N 3.26Å; L152-G154 PolarHBondContact O-N 3.22Å
153P45.7Very low41.1Very low121 Ų121124.3 Ų124.379%0.78676%0.756SS**  trans-46132.9170.5-25.933.4000109.7
154G38.2Very low41.4Very low62 Ų62128.7 Ų128.764%0.63976%0.762SS**PPolyproline II helixtrans-51.9148.8-179.800000111L152L152-G154 PolarHBondContact O-N 3.22Å
155P50.8Low41.5Very low116 Ų116124.3 Ų124.375%0.75375%0.752SS**PPolyproline II helixtrans-52.4146.6-179.822.5-33.2000110.2G157P155-G157 PolarHBondContact O-N 3.15Å
156P52.2Low42.2Very low122 Ų122123.7 Ų123.779%0.79275%0.752SS**PPolyproline II helixtrans-47.6133.9172.9-25.633.3000110
157G41.7Very low43.1Very low64 Ų64124.6 Ų124.666%0.6674%0.744SS**PPolyproline II helixtrans-53.9144.1178.300000110.7P155 H159P155-G157 PolarHBondContact O-N 3.15Å; G157-H159 PolarHBondContact O-N 3.46Å
158H45Very low44.1Very low188 Ų188124.4 Ų124.487%0.8775%0.751SS**PPolyproline II helixtrans-50.8133.2178-37-65.6000109.9G160H158-G160 PolarHBondContact O-N 3.33Å
159H44.1Very low44.3Very low186 Ų186122.6 Ų122.686%0.86174%0.738SS**PPolyproline II helixtrans-53.2132.6171-68.4-83.3000108.8G157 I161G157-H159 PolarHBondContact O-N 3.46Å; H159-I161 PolarHBondContact O-N 3.35Å
160G39.8Very low45.1Very low68 Ų68126.4 Ų126.470%0.70175%0.746SS**PPolyproline II helixtrans-55139.6175.100000110.1H158 L162H158-G160 PolarHBondContact O-N 3.33Å; G160-L162 PolarHBondContact O-N 3.42Å
161I43.3Very low45.9Very low158 Ų158129.5 Ų129.581%0.8175%0.745SS**PPolyproline II helixtrans-59.8121.7174-65.6168.9000107.7H159 I163H159-I161 PolarHBondContact O-N 3.35Å; I161-I163 PolarHBondContact O-N 3.06Å
162L36.8Very low46.1Very low115 Ų115129.4 Ų129.460%0.60274%0.744SS**  trans-64.8113.1165.8-98.4112.3000108G160 Y164G160-L162 PolarHBondContact O-N 3.42Å; L162-Y164 HydrophobicContact CB-CD2 4.21Å; L162-Y164 HydrophobicContact CB-CE2 3.82Å; L162-Y164 HydrophobicContact CD2-CE1 4.02Å; L162-Y164 HydrophobicContact CD2-CE2 4.11Å; L162-Y164 PolarHBondContact O-N 3.45Å
163I40.2Very low45.9Very low144 Ų144132.2 Ų132.274%0.73875%0.745SS**  trans-83.2101.1164.4-54176.7000105.6I161 I165I161-I163 PolarHBondContact O-N 3.06Å; I163-I165 HydrophobicContact CG2-CG1 4.25Å; I163-I165 PolarHBondContact O-N 3.43Å
164Y42.4Very low45.8Very low178 Ų178133.5 Ų133.570%0.69874%0.738SS**  trans-74.4103.9164.1-67.4-84.9000107.3L162 I166L162-Y164 HydrophobicContact CB-CD2 4.21Å; L162-Y164 HydrophobicContact CB-CE2 3.82Å; L162-Y164 HydrophobicContact CD2-CE1 4.02Å; L162-Y164 HydrophobicContact CD2-CE2 4.11Å; L162-Y164 PolarHBondContact O-N 3.45Å; Y164-I166 PolarHBondContact O-N 3.04Å
165I41.5Very low46.1Very low127 Ų127134.8 Ų134.865%0.65174%0.743SS**  trans-78.3104.7163.5-35.8175.5000105I163 E167I163-I165 HydrophobicContact CG2-CG1 4.25Å; I163-I165 PolarHBondContact O-N 3.43Å; I165-E167 HydrophobicContact CG2-CG 4.25Å; I165-E167 PolarHBondContact O-N 3.42Å
166I47.3Very low45.7Very low154 Ų154132.8 Ų132.879%0.7974%0.744SS**  trans-87.287.2174.6-49.7172.3000106.4Y164Y164-I166 PolarHBondContact O-N 3.04Å
167E53.7Low45.3Very low146 Ų146133.6 Ų133.668%0.68275%0.746SS**  trans-97.8120.4160.3-70.7-171.8173.400107.6I165 S169I165-E167 HydrophobicContact CG2-CG 4.25Å; I165-E167 PolarHBondContact O-N 3.42Å; E167-S169 PolarHBondContact O-N 3.32Å; E167-S169 VanDerWaalsContact O-N 3.11Å
168P57.6Low45.8Very low127 Ų127134.9 Ų134.983%0.82575%0.75SS**  trans-67.7111.1177.826.2-30.8000109.1
169S47.5Very low46Very low65 Ų65129.3 Ų129.346%0.45574%0.743SS.*  trans-99.6130.7162.7820000108.8E167 N171E167-S169 PolarHBondContact O-N 3.32Å; E167-S169 VanDerWaalsContact O-N 3.11Å; S169-N171 PolarHBondContact O-N 3.44Å
170E59.1Low46.4Very low197 Ų197128.5 Ų128.592%0.92174%0.744SS**SBendtrans-67.52.8-176.3-67.7-179.8150.300113.7
171N56.7Low47.3Very low140 Ų140136.9 Ų136.975%0.74975%0.754SS**SBendtrans-129.161.5-170.4-65.2-35.5000112.4S169 Y173S169-N171 PolarHBondContact O-N 3.44Å; N171-Y173 VanDerWaalsContact C-N 3.28Å; N171-Y173 PolarHBondContact O-N 3.32Å
172G42.6Very low47.9Very low76 Ų76132.3 Ų132.378%0.78475%0.747SS**SBendtrans50-0137.100000123.7
173Y38.6Very low49.1Very low222 Ų222136.4 Ų136.487%0.87176%0.76SS**  trans-138.797.3179.5-109.5-100.4000110.7N171N171-Y173 VanDerWaalsContact C-N 3.28Å; N171-Y173 PolarHBondContact O-N 3.32Å
174F42Very low50.2Low148 Ų148135.6 Ų135.665%0.64976%0.763SS**  trans-100.2101.5169.8-105-91.9000109.4G176F174-G176 PolarHBondContact O-N 3.43Å
175A44.3Very low51Low90 Ų90130.6 Ų130.674%0.74477%0.766SS**  trans-72.8107.7163.800000108.1V177A175-V177 PolarHBondContact O-N 3.06Å
176G43.1Very low51.7Low74 Ų74134 Ų13476%0.76378%0.777SS**PPolyproline II helixtrans-60.8121.2174.300000110.4F174 A178F174-G176 PolarHBondContact O-N 3.43Å; G176-A178 PolarHBondContact O-N 3.37Å
177V43.1Very low52.2Low138 Ų138132.8 Ų132.884%0.83678%0.778SS**PPolyproline II helixtrans-66.2124.2174.1-175.80000108.2A175 G179A175-V177 PolarHBondContact O-N 3.06Å; V177-G179 PolarHBondContact O-N 3.16Å
178A52.7Low52Low91 Ų91129.3 Ų129.375%0.75278%0.782SS**PPolyproline II helixtrans-57130.3176.600000110.3G176G176-A178 PolarHBondContact O-N 3.37Å
179G49.5Very low51.3Low71 Ų71129.7 Ų129.773%0.73279%0.786SS**PPolyproline II helixtrans-59.8143.4178.600000112V177 R181V177-G179 PolarHBondContact O-N 3.16Å; G179-R181 PolarHBondContact O-N 3.18Å
180I53.4Low51.5Low170 Ų170130.1 Ų130.187%0.87280%0.801SS**PPolyproline II helixtrans-61.7134.7174.952170.6000110.9G182I180-G182 PolarHBondContact O-N 3.31Å
181R57.9Low50.9Low243 Ų243124.1 Ų124.192%0.91779%0.792SS**PPolyproline II helixtrans-60.2131174-173.8176.2179.8169.70.8109.5G179G179-R181 PolarHBondContact O-N 3.18Å
182G56.5Low50.5Low63 Ų63122.3 Ų122.365%0.64980%0.796SS**PPolyproline II helixtrans-57.5147.4175.400000112.1I180I180-G182 PolarHBondContact O-N 3.31Å
183K62.1Low51.1Low201 Ų201127.6 Ų127.687%0.87480%0.8SS**PPolyproline II helixtrans-62.2147.7176-67.2-178.3179.1178.70110.4
184P63.5Low52.2Low126 Ų126120.6 Ų120.682%0.81880%0.795SS**PPolyproline II helixtrans-52145.1170.8-24.933.9000111.7
185G59.1Low53.5Low74 Ų74121.6 Ų121.676%0.76381%0.806SS**PPolyproline II helixtrans-57.2150.1173.900000111.4
186K55.6Low54.7Low199 Ų199126.9 Ų126.987%0.86581%0.812SS**PPolyproline II helixtrans-62.5146.5174.1-66.2-177.7179.6-178.30109.6
187P57.9Low56.1Low127 Ų127126.2 Ų126.283%0.82581%0.805SS**PPolyproline II helixtrans-52143.5170-24.633.8000111.1
188G48.4Very low57.7Low74 Ų74124.5 Ų124.576%0.76381%0.806SS**PPolyproline II helixtrans-58148.9176.500000111.6
189C43.6Very low58.7Low134 Ų134125.8 Ų125.891%0.90581%0.809SS**PPolyproline II helixtrans-60139.4172.9-61.20000109.7
190G52.4Low59.8Low74 Ų74125.8 Ų125.876%0.76381%0.809SS**PPolyproline II helixtrans-54.9144.2171.200000110.7
191G46.8Very low61Low72 Ų72129.5 Ų129.574%0.74281%0.812SS**PPolyproline II helixtrans-53.7150.8176.700000111.5H193G191-H193 PolarHBondContact O-N 3.45Å
192A48.6Very low61.8Low101 Ų101129.3 Ų129.384%0.83581%0.811SS**PPolyproline II helixtrans-55.8140.5175.300000109.9G194A192-G194 PolarHBondContact O-N 3.43Å
193H54.2Low62.7Low188 Ų188129.2 Ų129.287%0.8781%0.81SS**PPolyproline II helixtrans-57.5137.9171.7-71.576000108.5G191G191-H193 PolarHBondContact O-N 3.45Å
194G60.9Low63.4Low74 Ų74129.9 Ų129.976%0.76381%0.814SS**PPolyproline II helixtrans-52.5146.417700000111.1A192 K196A192-G194 PolarHBondContact O-N 3.43Å; G194-K196 PolarHBondContact O-N 3.37Å
195I69.4Low63.8Low170 Ų170132 Ų13287%0.87282%0.817SS**PPolyproline II helixtrans-55133.217553.2172.1000109.5G197I195-G197 PolarHBondContact O-N 3.44Å
196K70.1Confident64.5Low201 Ų201131.6 Ų131.687%0.87481%0.813SS**PPolyproline II helixtrans-58.5128.3172.4-173.5176-178.9178.10107.7G194G194-K196 PolarHBondContact O-N 3.37Å
197G72.4Confident65.5Low60 Ų60130.5 Ų130.562%0.61982%0.816SS**PPolyproline II helixtrans-51.4148.3177.200000111.4I195 S199I195-G197 PolarHBondContact O-N 3.44Å; G197-S199 PolarHBondContact O-N 3.32Å
198A76.1Confident66.4Low102 Ų102130 Ų13084%0.84382%0.815SS**PPolyproline II helixtrans-52.5141176.800000110.1G200A198-G200 PolarHBondContact O-N 3.14Å
199S75.2Confident67.9Low117 Ų117129.9 Ų129.982%0.81881%0.814SS**PPolyproline II helixtrans-58.6133.7174.5-640000108.9G197G197-S199 PolarHBondContact O-N 3.32Å
200G71.6Confident69.9Low72 Ų72131.3 Ų131.374%0.74281%0.813SS**PPolyproline II helixtrans-53.3147.4175.800000110.9A198 R202A198-G200 PolarHBondContact O-N 3.14Å; G200-R202 PolarHBondContact O-N 3.2Å
201R78.5Confident71.3Confident248 Ų248137.8 Ų137.894%0.93681%0.814SS**PPolyproline II helixtrans-57.6139.4175.3-73.4-175.7170-163.6-2.1109.2G203R201-G203 PolarHBondContact O-N 3.4Å
202R76Confident73Confident238 Ų238137.1 Ų137.190%0.89881%0.808SS**PPolyproline II helixtrans-56130.6171.2-173.5-178-64.9173.10.7108G200G200-R202 PolarHBondContact O-N 3.2Å
203G74Confident74.8Confident61 Ų61140.1 Ų140.163%0.62981%0.81SS**PPolyproline II helixtrans-55.5155.4174.200000111.5R201R201-G203 PolarHBondContact O-N 3.4Å
204F77.2Confident76.3Confident216 Ų216137.4 Ų137.495%0.94780%0.802SS**PPolyproline II helixtrans-60.4146.8175.1-68.6-80.2000110.5G206F204-G206 PolarHBondContact O-N 3.5Å
205L72.4Confident77.4Confident170 Ų170137.3 Ų137.389%0.8980%0.8SS**PPolyproline II helixtrans-60.3130.8170.6-133.284.1000107.7
206G73.5Confident78.3Confident66 Ų66138.2 Ų138.268%0.6880%0.801SS**PPolyproline II helixtrans-56.6149.4174.300000111F204F204-G206 PolarHBondContact O-N 3.5Å
207L76.6Confident79Confident176 Ų176134.6 Ų134.692%0.92180%0.798SS**PPolyproline II helixtrans-59.9139.1173.7-67.1168.9000109.4G209L207-G209 PolarHBondContact O-N 3.39Å
208S76.6Confident79.6Confident116 Ų116135.3 Ų135.381%0.81181%0.805SS**PPolyproline II helixtrans-56.9132.8171.5-65.40000109.2
209G79.6Confident80.1Confident72 Ų72138.3 Ų138.374%0.74281%0.807SS**PPolyproline II helixtrans-60.9152.7176.500000111.9L207L207-G209 PolarHBondContact O-N 3.39Å
210D84.9Confident80.6Confident163 Ų163137.5 Ų137.587%0.87281%0.808SS**PPolyproline II helixtrans-59.1146177-62.8-48.3000111.1G212D210-G212 PolarHBondContact O-N 3.32Å
211R82.8Confident81.1Confident210 Ų210137.6 Ų137.679%0.79281%0.809SS**PPolyproline II helixtrans-61.3127.9173176.3177165.5178.9-8.7108D214R211-D214 IonicContact CZ-OD1 3.86Å; R211-D214 IonicContact NH2-OD1 2.93Å; R211-D214 PolarHBondContact NH2-OD1 3.34Å
212G83.1Confident81.5Confident59 Ų59135 Ų13561%0.60881%0.807SS**PPolyproline II helixtrans-59.3152.9175.400000111.9D210D210-G212 PolarHBondContact O-N 3.32Å
213D86.5Confident82Confident163 Ų163132 Ų13287%0.87281%0.808SS**PPolyproline II helixtrans-56.3146.2179.3-60.2-47.1000111.5
214D85.6Confident82.4Confident132 Ų132131.5 Ų131.571%0.70680%0.803SS**PPolyproline II helixtrans-63.6137.3174.2-67.7-36000109.3R211R211-D214 IonicContact CZ-OD1 3.86Å; R211-D214 IonicContact NH2-OD1 2.93Å; R211-D214 PolarHBondContact NH2-OD1 3.34Å
215G83.4Confident82.8Confident71 Ų71127.6 Ų127.673%0.73280%0.799SS**PPolyproline II helixtrans-63.6153.1-178.600000112.8
216E87.3Confident83.4Confident190 Ų190126.3 Ų126.389%0.88880%0.798SS**PPolyproline II helixtrans-59.4146177.4-63.6-170.2121.700111.7G218E216-G218 PolarHBondContact O-N 3.4Å
217P86.2Confident83.8Confident125 Ų125126.2 Ų126.281%0.81280%0.798SS**PPolyproline II helixtrans-55.9135.6173.8-23.233.2000111.1
218G84.2Confident84.1Confident74 Ų74123.6 Ų123.676%0.76379%0.794SS**PPolyproline II helixtrans-62.1152.3175.900000112.3E216E216-G218 PolarHBondContact O-N 3.4Å
219D87.3Confident84.4Confident165 Ų165124.8 Ų124.888%0.88280%0.796SS**PPolyproline II helixtrans-54.9146.8177.9-67.1-42.4000112.2G221D219-G221 PolarHBondContact O-N 2.93Å
220A85.6Confident84.4Confident101 Ų101124.4 Ų124.484%0.83579%0.792SS**PPolyproline II helixtrans-59.1133.4174.600000110.7
221G82.2Confident84.3Confident74 Ų74124.1 Ų124.176%0.76379%0.79SS**PPolyproline II helixtrans-57.9145.8175.100000111.7D219D219-G221 PolarHBondContact O-N 2.93Å
222Q86.1Confident84.3Confident194 Ų194120 Ų12091%0.90779%0.791SS**PPolyproline II helixtrans-60141.2175.9-68.6-179.84.600110.8G224Q222-G224 PolarHBondContact O-N 3.43Å
223L85.8Confident84.2Confident174 Ų174120.6 Ų120.691%0.91180%0.797SS**PPolyproline II helixtrans-58.2128.2174.4-171.970.1000109.4
224G82.7Confident83.8Confident51 Ų51120.8 Ų120.853%0.52680%0.797SS.*PPolyproline II helixtrans-59.4155.4176.500000112Q222Q222-G224 PolarHBondContact O-N 3.43Å
225P85.7Confident83.6Confident134 Ų134120 Ų12087%0.8780%0.799SS**PPolyproline II helixtrans-60.5143.6178.426.3-34000111.1G227P225-G227 PolarHBondContact O-N 3.47Å
226T85.8Confident83.2Confident142 Ų142120 Ų12087%0.87180%0.799SS**PPolyproline II helixtrans-58.5130172.6-51.20000109.8
227G80.9Confident82.5Confident65 Ų65118.8 Ų118.867%0.6780%0.798SS**PPolyproline II helixtrans-58.7147.2176.500000111.9P225P225-G227 PolarHBondContact O-N 3.47Å
228S83.8Confident81.7Confident121 Ų121120.3 Ų120.385%0.84680%0.8SS**PPolyproline II helixtrans-61.1141.3174.850.10000111.2G230S228-G230 PolarHBondContact O-N 3.15Å
229V83.2Confident80.6Confident141 Ų141120.1 Ų120.186%0.85580%0.798SS**PPolyproline II helixtrans-59129.8171.1-178.90000108.7
230G79.8Confident78.9Confident63 Ų63120.8 Ų120.865%0.64980%0.801SS**PPolyproline II helixtrans-65.4148.8177.500000112.1S228S228-G230 PolarHBondContact O-N 3.15Å
231D81.9Confident77.5Confident157 Ų157123.4 Ų123.484%0.8480%0.8SS**PPolyproline II helixtrans-60.5147.3178.1-65.8-47.6000111.7
232P83.8Confident76.1Confident124 Ų124123.6 Ų123.681%0.80580%0.802SS**PPolyproline II helixtrans-55.9140.9173.4-23.633.3000112.1
233G80.4Confident74Confident71 Ų71122 Ų12273%0.73280%0.799SS**PPolyproline II helixtrans-58.8147.4174.500000112.3
234L78.9Confident72.2Confident168 Ų168121.8 Ų121.888%0.8880%0.797SS**PPolyproline II helixtrans-60.2144.7175-69.2166.2000110.8
235P80.8Confident70.1Confident116 Ų116124.6 Ų124.675%0.75381%0.807SS**PPolyproline II helixtrans-55.3139.7172.6-2332.5000111.7
236G75.7Confident68.7Low70 Ų70124 Ų12472%0.72280%0.803SS**PPolyproline II helixtrans-62141.8174.800000111.6
237N71.2Confident66.3Low164 Ų164123.5 Ų123.588%0.87780%0.804SS**PPolyproline II helixtrans-62.8138.9173.8-70.5-26.3000110.3
238N70.8Confident64.6Low158 Ų158126.4 Ų126.485%0.84581%0.811SS**PPolyproline II helixtrans-57.8141.8173.5-65.6-14.3000110.6
239G60.4Low62.9Low70 Ų70126 Ų12672%0.72281%0.808SS**PPolyproline II helixtrans-60.5141.2176.800000111.9D241G239-D241 PolarHBondContact O-N 3.32Å
240L51.5Low61.2Low179 Ų179130.9 Ų130.994%0.93781%0.811SS**PPolyproline II helixtrans-71123.9175.4-68.5167.7000109.8
241D57Low59.7Low155 Ų155133 Ų13383%0.82982%0.816SS**PPolyproline II helixtrans-67.3143.5172.3-68.6-37.5000111.5G239G239-D241 PolarHBondContact O-N 3.32Å
242G51.6Low58.2Low78 Ų78133.6 Ų133.680%0.80482%0.818SS**PPolyproline II helixtrans-64.5129.5-173.800000114.3
243I43.2Very low56.4Low161 Ų161133 Ų13383%0.82681%0.814SS**PPolyproline II helixtrans-78.6117.6176.8-62.2163.8000109.2
244I46.3Very low54.7Low170 Ų170133.9 Ų133.987%0.87282%0.815SS**  trans-114.5132.9160.2-66.1174.6000108.4
245C39.3Very low53.2Low110 Ų110134.4 Ų134.474%0.74382%0.817SS**  trans-64.7151.9-161.3-63.20000115.8
246P56.4Low51.6Low120 Ų120131.1 Ų131.178%0.77980%0.804SS**  trans-96.9159.2-168.438.2-33.5000113.5
247C36Very low50.7Low132 Ų132133 Ų13389%0.89281%0.806SS**  trans-136.5141149.6-850000109.9
248P44.5Very low49.7Very low126 Ų126134.7 Ų134.782%0.81880%0.8SS**  trans-107.2148.3-161.238.2-28.1000114.2
249S48Very low48.8Very low113 Ų113136.1 Ų136.179%0.7979%0.793SS**  trans-148.3103.6157.251.40000109.2
250R47.3Very low48.8Very low243 Ų243138.1 Ų138.192%0.91779%0.788SS**  55.8103.2108.8-80.4-173.6179-137.51115.6
251S49Very low49Very low107 Ų107138.7 Ų138.775%0.74878%0.777SS**  172.5104.2126.340.50000107.4
252L50.3Low49.2Very low170 Ų170135.6 Ų135.689%0.8976%0.76SS**  81.3148.791.1-80.6163.5000113.5
253P45.6Very low49.4Very low112 Ų112138.6 Ų138.673%0.72775%0.751SS**  trans-123.9161-130.239.7-25.1000113.3
254A45Very low50.2Low90 Ų90133.6 Ų133.674%0.74473%0.734SS**  trans172162.2141.700000108.2
255I47Very low50.7Low179 Ų179130.9 Ų130.992%0.91873%0.725SS**  trans93.598.5-177-53.9154.5000110.6
256G48.5Very low51.4Low47 Ų47133.3 Ų133.349%0.48572%0.723SS.*  cis155.9118.611.700000107R258G256-R258 PolarHBondContact O-N 2.67Å
257S56.5Low51.6Low108 Ų108135.4 Ų135.476%0.75572%0.723SS**SBendtrans58-12.8146.343.20000120.2
258R49.6Very low52.4Low201 Ų201139.8 Ų139.876%0.75872%0.72SS**SBendtrans-89.3-25.4-178.3-155.9168.4-176.6174.70.1113.1G256 N260 R261G256-R258 PolarHBondContact O-N 2.67Å; R258-N260 PolarHBondContact O-N 2.93Å; R258-R261 PolarHBondContact O-N 3.33Å
259W51.7Low52.7Low187 Ų187137 Ų13771%0.70872%0.715SS**THydrogen-bonded Turntrans-68.1-16.2171.3-161.7-97.1000113.2R261 L262W259-R261 PolarHBondContact O-N 3.4Å; W259-R261 VanDerWaalsContact O-N 3.15Å; W259-L262 HydrophobicContact CD2-CB 4.45Å; W259-L262 HydrophobicContact CD2-CD1 4.02Å; W259-L262 HydrophobicContact CE3-CD1 3.78Å; W259-L262 HydrophobicContact CH2-CD1 3.85Å; W259-L262 HydrophobicContact CZ2-CD1 4.07Å; W259-L262 HydrophobicContact CZ3-CD1 3.7Å; W259-L262 WeakPolarHBondContact O-CB 3.39Å; W259-L262 PolarHBondContact O-N 3.38Å
260N60.7Low52.8Low113 Ų113140.7 Ų140.760%0.60472%0.717SS**Hα-helixtrans-63.6-19.2176.7-74.9-22000113.6R258 L262R258-N260 PolarHBondContact O-N 2.93Å; N260-L262 VanDerWaalsContact C-N 3.31Å
261R56.6Low52.8Low190 Ų190137.8 Ų137.872%0.71773%0.734SS**Hα-helixtrans-72.3-21.3170.5-94.2-179.4-82.8-142-6113.8R258 W259R258-R261 PolarHBondContact O-N 3.33Å; W259-R261 PolarHBondContact O-N 3.4Å; W259-R261 VanDerWaalsContact O-N 3.15Å
262L59.5Low53Low90 Ų90139.4 Ų139.447%0.47173%0.733SS.*Hα-helixtrans-82.9-18.2178.2-105.3149.9000113.8W259 N260W259-L262 HydrophobicContact CD2-CB 4.45Å; W259-L262 HydrophobicContact CD2-CD1 4.02Å; W259-L262 HydrophobicContact CE3-CD1 3.78Å; W259-L262 HydrophobicContact CH2-CD1 3.85Å; W259-L262 HydrophobicContact CZ2-CD1 4.07Å; W259-L262 HydrophobicContact CZ3-CD1 3.7Å; W259-L262 WeakPolarHBondContact O-CB 3.39Å; W259-L262 PolarHBondContact O-N 3.38Å; N260-L262 VanDerWaalsContact C-N 3.31Å
263K56.8Low53.1Low142 Ų142137.7 Ų137.762%0.61773%0.725SS**Hα-helixtrans-84.1-31.3176.3-81.5-173178.51800114.3
264A59.1Low53.6Low55 Ų55139.2 Ų139.246%0.45573%0.725SS.*Hα-helixtrans-76.9-23-174.900000114.3
265V56.5Low54.1Low113 Ų113142.1 Ų142.169%0.68572%0.724SS**Hα-helixtrans-92.3-32.3-178.2-177.40000111.6Q267 R268V265-Q267 VanDerWaalsContact C-N 3.28Å; V265-Q267 PolarHBondContact O-N 3.39Å; V265-R268 PolarHBondContact O-N 3.45Å
266F54.6Low54.5Low161 Ų161139.8 Ų139.871%0.70671%0.712SS**Hα-helixtrans-73-17.8175.2-118.6-88.5000113.7
267Q60.8Low54.9Low165 Ų165145.9 Ų145.977%0.77173%0.727SS**THydrogen-bonded Turntrans-86.6-4.3174.1-76.2-171.3-15.800114.6V265V265-Q267 VanDerWaalsContact C-N 3.28Å; V265-Q267 PolarHBondContact O-N 3.39Å
268R53.9Low54.8Low223 Ų223148.6 Ų148.684%0.84273%0.725SS**SBendtrans-104.7-4.1177.7-71.4-176.6-175.1174.11.1114.3V265V265-R268 PolarHBondContact O-N 3.45Å
269G49.2Very low55.2Low69 Ų69144.6 Ų144.671%0.71172%0.722SS**SBendtrans-108.30.4-176.700000115.8
270K50.9Low55.5Low189 Ų189141.1 Ų141.182%0.82272%0.723SS**  trans-118.479.9166.4-77.1-174.1177.3-177.10107.2
271S47.2Very low55Low183 Ų183143.6 Ų143.6100%1.2873%0.734SS**  trans-950162.6-163.70000109.5

Retrieved 271 of 271 residues in 253.1 ms (Link to these results)