A0A077ZED9_TRITR Loading...

Myb-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZED9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 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
1M79.7Confident87.3Confident165 Ų165118.4 Ų118.481%0.81361%0.605SS**  0128.90-64.3-122.1-17500106.7R6 I7M1-R6 VanDerWaalsContact CA-O 3.22Å; M1-R6 WeakPolarHBondContact CA-O 3.47Å; M1-I7 HydrophobicContact CE-CD1 4.31Å; M1-I7 HydrophobicContact CE-CG1 3.74Å; M1-I7 HydrophobicContact SD-CG1 4.07Å
2D84.7Confident87Confident34 Ų34121.1 Ų121.118%0.18261%0.613CS.*  trans-72.9168.6172.3644.4000110.7Q4 G5 R6 I8D2-Q4 PolarHBondContact O-N 2.83Å; D2-Q4 PolarHBondContact OD1-N 3.27Å; D2-G5 PolarHBondContact O-N 2.7Å; D2-G5 PolarHBondContact OD1-N 3.06Å; D2-G5 VanDerWaalsContact OD1-N 3.15Å; D2-R6 PolarHBondContact N-O 3.45Å; D2-R6 VanDerWaalsContact N-O 3.15Å; D2-R6 WeakPolarHBondContact OD1-CA 3.21Å; D2-R6 VanDerWaalsContact OD1-CB 3.28Å; D2-R6 WeakPolarHBondContact OD1-CB 3.41Å; D2-R6 PolarHBondContact OD1-N 2.73Å; D2-R6 IonicContact OD1-NE 3.97Å; D2-R6 IonicContact OD2-CZ 3.28Å; D2-R6 VanDerWaalsContact OD2-CZ 3.28Å; D2-R6 IonicContact OD2-NE 2.93Å; D2-R6 PolarHBondContact OD2-NE 2.84Å; D2-R6 IonicContact OD2-NH2 2.91Å; D2-R6 PolarHBondContact OD2-NH2 2.83Å; D2-I8 HydrophobicContact CB-CD1 3.75Å; D2-I8 HydrophobicContact CB-CG1 4.48Å
3D88.5Confident86.7Confident144 Ų144119.2 Ų119.277%0.7762%0.618SS**THydrogen-bonded Turntrans-60-8.9175.262.1-49.9000113.5
4Q87.6Confident86.6Confident128 Ų128120.7 Ų120.760%0.59863%0.626SS**THydrogen-bonded Turntrans-102.37.4176.2-53.7-57.6-52.100113D2 R6D2-Q4 PolarHBondContact O-N 2.83Å; D2-Q4 PolarHBondContact OD1-N 3.27Å; Q4-R6 VanDerWaalsContact C-N 3.32Å; Q4-R6 PolarHBondContact O-N 3.15Å
5G92Very high86.4Confident57 Ų57122.4 Ų122.459%0.58863%0.63SS**  trans74.316.4176.100000114.8D2D2-G5 PolarHBondContact O-N 2.7Å; D2-G5 PolarHBondContact OD1-N 3.06Å; D2-G5 VanDerWaalsContact OD1-N 3.15Å
6R91.1Very high85.9Confident160 Ų160122.1 Ų122.160%0.60464%0.635SS**  trans-84.6135.5174.1-61.2179-74-153.3-4.4110M1 D2 Q4 I8M1-R6 VanDerWaalsContact CA-O 3.22Å; M1-R6 WeakPolarHBondContact CA-O 3.47Å; D2-R6 PolarHBondContact N-O 3.45Å; D2-R6 VanDerWaalsContact N-O 3.15Å; D2-R6 WeakPolarHBondContact OD1-CA 3.21Å; D2-R6 VanDerWaalsContact OD1-CB 3.28Å; D2-R6 WeakPolarHBondContact OD1-CB 3.41Å; D2-R6 PolarHBondContact OD1-N 2.73Å; D2-R6 IonicContact OD1-NE 3.97Å; D2-R6 IonicContact OD2-CZ 3.28Å; D2-R6 VanDerWaalsContact OD2-CZ 3.28Å; D2-R6 IonicContact OD2-NE 2.93Å; D2-R6 PolarHBondContact OD2-NE 2.84Å; D2-R6 IonicContact OD2-NH2 2.91Å; D2-R6 PolarHBondContact OD2-NH2 2.83Å; Q4-R6 VanDerWaalsContact C-N 3.32Å; Q4-R6 PolarHBondContact O-N 3.15Å; R6-I8 PolarHBondContact O-N 3.15Å; R6-I8 VanDerWaalsContact O-N 3.12Å
7I88.6Confident85.5Confident127 Ų127121.5 Ų121.565%0.65163%0.633SS**  trans-75.1101.5174.5-57175.6000107.1M1 I9M1-I7 HydrophobicContact CE-CD1 4.31Å; M1-I7 HydrophobicContact CE-CG1 3.74Å; M1-I7 HydrophobicContact SD-CG1 4.07Å; I7-I9 HydrophobicContact CG2-CG1 4.28Å; I7-I9 PolarHBondContact O-N 2.66Å
8I87.6Confident84.7Confident115 Ų115123.6 Ų123.659%0.5964%0.639SS**  trans-79.2115167.7-60.5173.3000106.4D2 R6D2-I8 HydrophobicContact CB-CD1 3.75Å; D2-I8 HydrophobicContact CB-CG1 4.48Å; R6-I8 PolarHBondContact O-N 3.15Å; R6-I8 VanDerWaalsContact O-N 3.12Å
9I86.2Confident83.9Confident130 Ų130122.4 Ų122.467%0.66764%0.638SS**  trans-85.8133.6172.2-58.6171.5000106.7I7I7-I9 HydrophobicContact CG2-CG1 4.28Å; I7-I9 PolarHBondContact O-N 2.66Å
10D88.6Confident82.9Confident90 Ų90121.7 Ų121.748%0.48163%0.632SS.*  trans-88.9114.7176.4-161.511.2000109.2E12 S13D10-E12 VanDerWaalsContact C-N 3.31Å; D10-E12 PolarHBondContact O-N 3.33Å; D10-E12 WeakPolarHBondContact OD1-CG 3.45Å; D10-E12 WeakPolarHBondContact OD2-CG 3.47Å; D10-S13 PolarHBondContact O-N 2.84Å
11E85.4Confident81.9Confident152 Ų152118.1 Ų118.171%0.7162%0.62SS**SBendtrans-70.4-29.7-174.5-61.6-162.3170.600111.6S13 L14E11-S13 PolarHBondContact O-N 3.26Å; E11-L14 WeakPolarHBondContact O-CB 3.48Å; E11-L14 PolarHBondContact O-N 3.16Å
12E84.4Confident81.1Confident151 Ų151115 Ų11571%0.70661%0.61SS**THydrogen-bonded Turntrans-66-26.217565.6-176.5-167.200112.6D10 L14D10-E12 VanDerWaalsContact C-N 3.31Å; D10-E12 PolarHBondContact O-N 3.33Å; D10-E12 WeakPolarHBondContact OD1-CG 3.45Å; D10-E12 WeakPolarHBondContact OD2-CG 3.47Å; E12-L14 VanDerWaalsContact C-N 3.32Å
13S83.3Confident80Confident97 Ų97120 Ų12068%0.67864%0.637SS**THydrogen-bonded Turntrans-78.8-15.8174-177.80000113.1D10 E11 E15D10-S13 PolarHBondContact O-N 2.84Å; E11-S13 PolarHBondContact O-N 3.26Å; S13-E15 VanDerWaalsContact C-N 3.33Å
14L84.6Confident78.7Confident140 Ų140120 Ų12073%0.73363%0.63SS**THydrogen-bonded Turntrans-79.7-24.2177.2-171.462.9000111.4E11 E12E11-L14 WeakPolarHBondContact O-CB 3.48Å; E11-L14 PolarHBondContact O-N 3.16Å; E12-L14 VanDerWaalsContact C-N 3.32Å
15E83.2Confident77.3Confident146 Ų146120.2 Ų120.268%0.68264%0.635SS**  trans-87.1122.5-178.6-60.6-175.9173.600109.8S13S13-E15 VanDerWaalsContact C-N 3.33Å
16V79.6Confident75.9Confident118 Ų118126.4 Ų126.472%0.71565%0.645SS**  trans-101.7112.3171.1177.80000107.5E18V16-E18 PolarHBondContact O-N 3Å
17D77.7Confident74.5Confident112 Ų112124.1 Ų124.160%0.59965%0.651SS**  trans-64.698.8170.4-75.6-37.8000110T19 E20 A21D17-T19 PolarHBondContact O-N 3.21Å; D17-T19 VanDerWaalsContact O-N 3.1Å; D17-E20 PolarHBondContact O-N 3.15Å; D17-A21 PolarHBondContact O-N 3.49Å
18E71.9Confident73.1Confident158 Ų158125.8 Ų125.874%0.73866%0.661SS**Hα-helixtrans-56-29.1176.4-62.4-175.8166.100111.5V16 E20 A21 V22V16-E18 PolarHBondContact O-N 3Å; E18-E20 VanDerWaalsContact C-N 3.33Å; E18-E20 PolarHBondContact O-N 3.08Å; E18-A21 PolarHBondContact O-N 3.1Å; E18-V22 WeakPolarHBondContact O-CG2 3.22Å; E18-V22 PolarHBondContact O-N 3.39Å
19T69Low71.8Confident102 Ų102125.8 Ų125.863%0.62667%0.666SS**Hα-helixtrans-62.4-36.8-178.564.50000112.8D17 N23D17-T19 PolarHBondContact O-N 3.21Å; D17-T19 VanDerWaalsContact O-N 3.1Å; T19-N23 PolarHBondContact O-ND2 3.07Å; T19-N23 VanDerWaalsContact O-ND2 3.11Å
20E64Low70.6Confident107 Ų107126.9 Ų126.950%0.567%0.67SS.*Hα-helixtrans-82.1-32175.3-69.2-145.9167.800112.6D17 E18 N23 K24D17-E20 PolarHBondContact O-N 3.15Å; E18-E20 VanDerWaalsContact C-N 3.33Å; E18-E20 PolarHBondContact O-N 3.08Å; E20-N23 PolarHBondContact O-N 3.44Å; E20-K24 WeakPolarHBondContact O-CG 3.34Å; E20-K24 PolarHBondContact O-N 3.35Å; E20-K24 IonicContact OE2-NZ 3.22Å; E20-K24 PolarHBondContact OE2-NZ 2.89Å
21A61.5Low69.2Low48 Ų48125.8 Ų125.840%0.39767%0.669SS.*Hα-helixtrans-62.7-44.2179.400000111.1D17 E18 N23 K24 L25D17-A21 PolarHBondContact O-N 3.49Å; E18-A21 PolarHBondContact O-N 3.1Å; A21-N23 VanDerWaalsContact C-N 3.28Å; A21-N23 PolarHBondContact O-N 3.27Å; A21-K24 PolarHBondContact O-N 3.39Å; A21-L25 WeakPolarHBondContact O-CG 3.3Å; A21-L25 PolarHBondContact O-N 2.86Å
22V63.1Low68.3Low98 Ų98124.1 Ų124.159%0.59467%0.674SS**Hα-helixtrans-61-38178.6177.70000111.6E18 K24 L25E18-V22 WeakPolarHBondContact O-CG2 3.22Å; E18-V22 PolarHBondContact O-N 3.39Å; V22-K24 PolarHBondContact O-N 3.35Å; V22-L25 PolarHBondContact O-N 3.05Å
23N61.7Low67.5Low141 Ų141124.2 Ų124.275%0.75467%0.672SS**Hα-helixtrans-74.9-24.3-178.8-73.4-39.3000113.6T19 E20 A21T19-N23 PolarHBondContact O-ND2 3.07Å; T19-N23 VanDerWaalsContact O-ND2 3.11Å; E20-N23 PolarHBondContact O-N 3.44Å; A21-N23 VanDerWaalsContact C-N 3.28Å; A21-N23 PolarHBondContact O-N 3.27Å
24K62.2Low66.9Low143 Ų143124.6 Ų124.662%0.62267%0.672SS**Hα-helixtrans-91.3-6.4178.2-66172.9-165.2164.40113.4E20 A21 V22 K26E20-K24 WeakPolarHBondContact O-CG 3.34Å; E20-K24 PolarHBondContact O-N 3.35Å; E20-K24 IonicContact OE2-NZ 3.22Å; E20-K24 PolarHBondContact OE2-NZ 2.89Å; A21-K24 PolarHBondContact O-N 3.39Å; V22-K24 PolarHBondContact O-N 3.35Å; K24-K26 PolarHBondContact O-N 3.44Å
25L58.6Low66.5Low132 Ų132124.3 Ų124.369%0.69168%0.676SS**  trans-66.484.3167.4-68174.1000108.5A21 V22 P27A21-L25 WeakPolarHBondContact O-CG 3.3Å; A21-L25 PolarHBondContact O-N 2.86Å; V22-L25 PolarHBondContact O-N 3.05Å; L25-P27 VanDerWaalsContact O-N 3.14Å
26K61.4Low66.2Low188 Ų188122.5 Ų122.582%0.81767%0.67SS**  trans-46.1125.1162.9-70.6171.6-177.9169.70106K24 L28K24-K26 PolarHBondContact O-N 3.44Å; K26-L28 PolarHBondContact O-N 3Å
27P61.2Low66.4Low111 Ų111121.2 Ų121.272%0.72166%0.659SS**  trans-52.7118.2-17921.6-32000105.9L25 T29L25-P27 VanDerWaalsContact O-N 3.14Å; P27-T29 PolarHBondContact O-N 3.3Å
28L60.1Low66.6Low163 Ų163121.5 Ų121.585%0.85367%0.67SS**  trans-56.4100.9174.6-176.369.4000103.6K26 M30K26-L28 PolarHBondContact O-N 3Å; L28-M30 PolarHBondContact O-N 3.29Å
29T59.4Low66.9Low114 Ų114117.1 Ų117.170%0.69966%0.657SS**  trans-6496176.137.70000102.7P27 C31P27-T29 PolarHBondContact O-N 3.3Å; T29-C31 PolarHBondContact O-N 2.92Å
30M62.6Low67.4Low153 Ų153115.3 Ų115.375%0.75465%0.645SS**  trans-55.399.8175.5-139-114.983.900101.7L28 S32L28-M30 PolarHBondContact O-N 3.29Å; M30-S32 PolarHBondContact O-N 3.49Å
31C57.2Low68.1Low68 Ų68119.3 Ų119.346%0.45966%0.657SS.*  trans-59.2101.5-177.3-87.30000102.5T29 K33T29-C31 PolarHBondContact O-N 2.92Å; C31-K33 HydrophobicContact CB-CD 4.22Å; C31-K33 HydrophobicContact CB-CG 4.11Å; C31-K33 PolarHBondContact O-N 2.95Å; C31-K33 PolarHBondContact SG-NZ 3.33Å; C31-K33 VanDerWaalsContact SG-NZ 3.41Å
32S66.9Low69Low116 Ų116124.7 Ų124.781%0.81167%0.667SS**  trans-70.544.2176.5-175.30000108.5M30 P34M30-S32 PolarHBondContact O-N 3.49Å; S32-P34 WeakPolarHBondContact O-CD 2.98Å
33K68.1Low69.4Low153 Ų153129.5 Ų129.567%0.66568%0.68SS**  trans-70.4116163.5-66.9179.2-177.4117.40102.7C31 V35C31-K33 HydrophobicContact CB-CD 4.22Å; C31-K33 HydrophobicContact CB-CG 4.11Å; C31-K33 PolarHBondContact O-N 2.95Å; C31-K33 PolarHBondContact SG-NZ 3.33Å; C31-K33 VanDerWaalsContact SG-NZ 3.41Å; K33-V35 PolarHBondContact O-N 3.42Å
34P71.6Confident69.7Low105 Ų105130 Ų13068%0.68267%0.671SS**  trans-53.3133.417723.3-32.7000107.7S32 L36S32-P34 WeakPolarHBondContact O-CD 2.98Å; P34-L36 PolarHBondContact O-N 3.24Å
35V74.6Confident70Confident135 Ų135128.7 Ų128.782%0.81867%0.671SS**  trans-53.1106.8177.4176.30000107.4K33 N37K33-V35 PolarHBondContact O-N 3.42Å; V35-N37 PolarHBondContact O-N 2.84Å
36L78Confident70.2Confident107 Ų107131.4 Ų131.456%0.5667%0.672SS**  trans-73.599.3-174.5177.668.1000107.9P34 T40 Y41P34-L36 PolarHBondContact O-N 3.24Å; L36-T40 HydrophobicContact CD1-CG2 3.78Å; L36-Y41 HydrophobicContact CD1-CD2 4.09Å; L36-Y41 HydrophobicContact CD1-CE2 3.32Å; L36-Y41 HydrophobicContact CD2-CE2 4.15Å; L36-Y41 HydrophobicContact CG-CE2 4.31Å
37N82.9Confident70.5Confident91 Ų91130.4 Ų130.449%0.48767%0.667SS.*  trans-91.6164.91696728.3000110.6V35 C39 T40V35-N37 PolarHBondContact O-N 2.84Å; N37-C39 PolarHBondContact O-N 2.73Å; N37-C39 WeakPolarHBondContact OD1-CA 3.41Å; N37-C39 WeakPolarHBondContact OD1-CB 3.48Å; N37-C39 PolarHBondContact OD1-N 3.05Å; N37-T40 PolarHBondContact N-OG1 3.29Å; N37-T40 WeakPolarHBondContact O-CB 3.38Å; N37-T40 PolarHBondContact O-N 3.19Å; N37-T40 PolarHBondContact O-OG1 2.98Å; N37-T40 PolarHBondContact OD1-N 2.94Å; N37-T40 PolarHBondContact OD1-OG1 3.46Å
38S82.4Confident71.1Confident118 Ų118132.6 Ų132.683%0.82566%0.661SS**THydrogen-bonded Turntrans-60-13177.859.60000114
39C78.3Confident72Confident67 Ų67126.2 Ų126.245%0.45364%0.635SS.*THydrogen-bonded Turntrans-93.4-12.1178.7-670000113.7N37 Y41 R42N37-C39 PolarHBondContact O-N 2.73Å; N37-C39 WeakPolarHBondContact OD1-CA 3.41Å; N37-C39 WeakPolarHBondContact OD1-CB 3.48Å; N37-C39 PolarHBondContact OD1-N 3.05Å; C39-Y41 VanDerWaalsContact C-N 3.3Å; C39-Y41 PolarHBondContact O-N 3.27Å; C39-R42 VanDerWaalsContact O-CB 3.27Å; C39-R42 WeakPolarHBondContact O-CB 3.34Å; C39-R42 PolarHBondContact O-N 3.03Å
40T79.8Confident73.3Confident63 Ų63124.4 Ų124.439%0.38763%0.626SS.*THydrogen-bonded Turntrans-58.5-38.7-171.6-49.30000113.1L36 N37L36-T40 HydrophobicContact CD1-CG2 3.78Å; N37-T40 PolarHBondContact N-OG1 3.29Å; N37-T40 WeakPolarHBondContact O-CB 3.38Å; N37-T40 PolarHBondContact O-N 3.19Å; N37-T40 PolarHBondContact O-OG1 2.98Å; N37-T40 PolarHBondContact OD1-N 2.94Å; N37-T40 PolarHBondContact OD1-OG1 3.46Å
41Y78.8Confident74.7Confident192 Ų192122.5 Ų122.575%0.75362%0.624SS**THydrogen-bonded Turntrans-94.34.3-179.6-57.2-64.8000114L36 C39 K43L36-Y41 HydrophobicContact CD1-CD2 4.09Å; L36-Y41 HydrophobicContact CD1-CE2 3.32Å; L36-Y41 HydrophobicContact CD2-CE2 4.15Å; L36-Y41 HydrophobicContact CG-CE2 4.31Å; C39-Y41 VanDerWaalsContact C-N 3.3Å; C39-Y41 PolarHBondContact O-N 3.27Å; Y41-K43 PolarHBondContact O-N 3.37Å
42R80.3Confident76.4Confident160 Ų160122.2 Ų122.260%0.60461%0.614SS**SBendtrans-68.5135.5179.2-168.7-179.8-69.2-113.4-1.2109.3C39 R44C39-R42 VanDerWaalsContact O-CB 3.27Å; C39-R42 WeakPolarHBondContact O-CB 3.34Å; C39-R42 PolarHBondContact O-N 3.03Å; R42-R44 PolarHBondContact O-N 3.31Å
43K70.9Confident77.8Confident199 Ų199120.3 Ų120.387%0.86560%0.597SS**PPolyproline II helixtrans-51.1117.5172.7-68-176.4178.8-179.30108.9Y41 L45Y41-K43 PolarHBondContact O-N 3.37Å; K43-L45 PolarHBondContact O-N 2.98Å
44R69.1Low79.1Confident152 Ų152118.4 Ų118.457%0.57460%0.599SS**PPolyproline II helixtrans-57.5119.7-171.9-79.5-171.9-129.6177.8-12.4111.8R42 W46 K47R42-R44 PolarHBondContact O-N 3.31Å; R44-W46 HydrophobicContact CB-CD2 4.26Å; R44-W46 HydrophobicContact CB-CG 4.15Å; R44-W46 HydrophobicContact CG-CZ2 4.25Å; R44-W46 VanDerWaalsContact CG-NE1 3.27Å; R44-W46 PolarHBondContact O-N 3.29Å; R44-K47 PolarHBondContact O-N 3.25Å
45L67.2Low80.3Confident116 Ų116116 Ų11661%0.60759%0.588SS**G310 helixtrans-65.5-21.4178-65.1175.4000113.2K43 K47 R48K43-L45 PolarHBondContact O-N 2.98Å; L45-K47 PolarHBondContact O-N 3.38Å; L45-R48 VanDerWaalsContact O-CB 3.23Å; L45-R48 WeakPolarHBondContact O-CB 3.2Å; L45-R48 WeakPolarHBondContact O-CG 3.41Å; L45-R48 PolarHBondContact O-N 3.46Å
46W63.8Low81.2Confident189 Ų189111.7 Ų111.772%0.71656%0.559SS**G310 helixtrans-76.2-5.1178.844.7-78.3000114.1R44 R48R44-W46 HydrophobicContact CB-CD2 4.26Å; R44-W46 HydrophobicContact CB-CG 4.15Å; R44-W46 HydrophobicContact CG-CZ2 4.25Å; R44-W46 VanDerWaalsContact CG-NE1 3.27Å; R44-W46 PolarHBondContact O-N 3.29Å; W46-R48 PolarHBondContact O-N 2.89Å
47K67.1Low82.1Confident166 Ų166107.5 Ų107.572%0.72254%0.537SS*.G310 helixtrans-75.8-0.3163.2-67.3-164.5175.6-1660112.9R44 L45R44-K47 PolarHBondContact O-N 3.25Å; L45-K47 PolarHBondContact O-N 3.38Å
48R73.1Confident82.8Confident157 Ų157108 Ų10859%0.59254%0.537SS*.SBendtrans-77.9125.8171.7-60.9-174.994.5112.94.3107.3L45 W46L45-R48 VanDerWaalsContact O-CB 3.23Å; L45-R48 WeakPolarHBondContact O-CB 3.2Å; L45-R48 WeakPolarHBondContact O-CG 3.41Å; L45-R48 PolarHBondContact O-N 3.46Å; W46-R48 PolarHBondContact O-N 2.89Å
49G80.2Confident83.4Confident30 Ų30105.4 Ų105.431%0.30951%0.514SS..  trans-59.1178.6168.900000111.6
50P87.1Confident84.3Confident76 Ų76102.2 Ų102.249%0.49449%0.492SS..SBendtrans-49.4156.9179.1-24.731.3000112.8R81P50-R81 PolarHBondContact O-NH1 3.05Å
51P90.5Very high85.1Confident112 Ų112100.4 Ų100.473%0.72748%0.478SS*.PPolyproline II helixtrans-57.7152.3169.826.3-33.6000110.5R81P51-R81 PolarHBondContact O-NH2 3.12Å
52W94.1Very high85.9Confident63 Ų6395.3 Ų95.324%0.23946%0.46CS..PPolyproline II helixtrans-79.1121.3174.9-77.682.4000109.1E56 F60 F78 L86 K89W52-E56 HydrophobicContact CE3-CB 3.89Å; W52-E56 HydrophobicContact CZ3-CB 4.15Å; W52-F60 HydrophobicContact CH2-CB 4.49Å; W52-F60 HydrophobicContact CH2-CD2 4.24Å; W52-F60 HydrophobicContact CZ3-CB 4Å; W52-F60 HydrophobicContact CZ3-CG 4.47Å; W52-F78 HydrophobicContact CZ3-CE1 4.2Å; W52-L86 HydrophobicContact CH2-CD2 3.76Å; W52-L86 HydrophobicContact CZ2-CD2 4.22Å; W52-K89 HydrophobicContact CD2-CB 4.47Å; W52-K89 HydrophobicContact CD2-CD 3.63Å; W52-K89 HydrophobicContact CD2-CG 3.9Å; W52-K89 HydrophobicContact CE3-CD 4.16Å; W52-K89 HydrophobicContact CE3-CG 4.19Å; W52-K89 HydrophobicContact CG-CD 3.8Å; W52-K89 HydrophobicContact CH2-CB 4.23Å; W52-K89 HydrophobicContact CH2-CG 3.96Å; W52-K89 HydrophobicContact CZ2-CB 3.52Å; W52-K89 HydrophobicContact CZ2-CD 4.27Å; W52-K89 HydrophobicContact CZ2-CG 3.63Å; W52-K89 HydrophobicContact CZ3-CG 4.23Å
53T95.5Very high86.6Confident75 Ų7587.8 Ų87.846%0.4643%0.432SS..PPolyproline II helixtrans-76162.816959.60000110.6E56 T57T53-E56 PolarHBondContact N-OE2 3.45Å; T53-E56 PolarHBondContact O-N 3.46Å; T53-E56 WeakPolarHBondContact OG1-CB 3.39Å; T53-E56 WeakPolarHBondContact OG1-CG 3.48Å; T53-E56 PolarHBondContact OG1-N 3.47Å; T53-E56 PolarHBondContact OG1-OE2 3.49Å; T53-T57 WeakPolarHBondContact O-CB 3.45Å; T53-T57 PolarHBondContact O-N 3.05Å; T53-T57 PolarHBondContact O-OG1 3.04Å
54T95.9Very high87.8Confident114 Ų11478.3 Ų78.370%0.69939%0.391SS*.Hα-helixtrans-62.1-46.2176.348.20000110.9E56 T57 E58T54-E56 PolarHBondContact O-N 2.92Å; T54-T57 WeakPolarHBondContact O-CA 3.47Å; T54-T57 WeakPolarHBondContact O-CB 3.2Å; T54-T57 PolarHBondContact O-N 3.16Å; T54-E58 PolarHBondContact O-N 3.05Å
55A96Very high89Confident55 Ų5571.9 Ų71.946%0.45537%0.37SS..Hα-helixtrans-58.9-45.4176.500000112.8T57 E58 N59A55-T57 VanDerWaalsContact C-N 3.26Å; A55-T57 PolarHBondContact O-N 3.16Å; A55-E58 PolarHBondContact O-N 3.39Å; A55-N59 PolarHBondContact O-N 2.89Å
56E95.1Very high90.2Very high44 Ų4473 Ų7321%0.20637%0.366CS..Hα-helixtrans-63.5-34.1174.7-74.8171.7127.700112.3W52 T53 T54 N59 F60 R81W52-E56 HydrophobicContact CE3-CB 3.89Å; W52-E56 HydrophobicContact CZ3-CB 4.15Å; T53-E56 PolarHBondContact N-OE2 3.45Å; T53-E56 PolarHBondContact O-N 3.46Å; T53-E56 WeakPolarHBondContact OG1-CB 3.39Å; T53-E56 WeakPolarHBondContact OG1-CG 3.48Å; T53-E56 PolarHBondContact OG1-N 3.47Å; T53-E56 PolarHBondContact OG1-OE2 3.49Å; T54-E56 PolarHBondContact O-N 2.92Å; E56-N59 PolarHBondContact O-N 3.34Å; E56-F60 WeakPolarHBondContact O-CB 3.35Å; E56-F60 PolarHBondContact O-N 3.14Å; E56-R81 IonicContact OE1-CZ 3.28Å; E56-R81 IonicContact OE1-NE 2.61Å; E56-R81 PolarHBondContact OE1-NE 3.25Å; E56-R81 IonicContact OE1-NH2 2.7Å; E56-R81 PolarHBondContact OE1-NH2 2.85Å; E56-R81 IonicContact OE2-NH2 3.41Å; E56-R81 PolarHBondContact OE2-NH2 3.26Å
57T96.1Very high91.6Very high18 Ų1865.4 Ų65.411%0.1134%0.341CS..Hα-helixtrans-70.2-38178.4-58.20000111.2T53 T54 A55 F60 Y61 K89T53-T57 WeakPolarHBondContact O-CB 3.45Å; T53-T57 PolarHBondContact O-N 3.05Å; T53-T57 PolarHBondContact O-OG1 3.04Å; T54-T57 WeakPolarHBondContact O-CA 3.47Å; T54-T57 WeakPolarHBondContact O-CB 3.2Å; T54-T57 PolarHBondContact O-N 3.16Å; A55-T57 VanDerWaalsContact C-N 3.26Å; A55-T57 PolarHBondContact O-N 3.16Å; T57-F60 WeakPolarHBondContact O-CB 3.28Å; T57-F60 PolarHBondContact O-N 2.97Å; T57-Y61 HydrophobicContact CG2-CD2 4.25Å; T57-Y61 HydrophobicContact CG2-CE2 3.64Å; T57-Y61 WeakPolarHBondContact O-CD2 3.21Å; T57-Y61 PolarHBondContact O-N 3.26Å; T57-Y61 VanDerWaalsContact O-N 3.16Å; T57-K89 WeakPolarHBondContact OG1-CE 3.08Å; T57-K89 PolarHBondContact OG1-NZ 2.93Å
58E96.7Very high92.8Very high103 Ų10357.5 Ų57.548%0.48131%0.307SS..Hα-helixtrans-63.7-45.3171.9-71.9170.7-162.600111.4T54 A55 F60 Y61 K62T54-E58 PolarHBondContact O-N 3.05Å; A55-E58 PolarHBondContact O-N 3.39Å; E58-F60 PolarHBondContact O-N 3.18Å; E58-Y61 PolarHBondContact O-N 3.08Å; E58-Y61 VanDerWaalsContact O-N 3.16Å; E58-K62 WeakPolarHBondContact O-CG 3.34Å; E58-K62 PolarHBondContact O-N 3.16Å
59N96.1Very high93.6Very high63 Ų6353 Ų5334%0.33730%0.303SS..Hα-helixtrans-60.8-33.1174.2-71.92.6000111.9A55 E56 K62 A63 F78A55-N59 PolarHBondContact O-N 2.89Å; E56-N59 PolarHBondContact O-N 3.34Å; N59-K62 PolarHBondContact O-N 3.05Å; N59-A63 WeakPolarHBondContact O-CB 3.4Å; N59-A63 PolarHBondContact O-N 2.63Å; N59-F78 HydrophobicContact CB-CE1 4.26Å; N59-F78 HydrophobicContact CB-CZ 4.21Å
60F96.5Very high94.3Very high0 Ų054.6 Ų54.60%030%0.304CS..Hα-helixtrans-64.4-44.1175.3172.4-97.1000111.8W52 E56 T57 E58 A63 L64 M74 F78 L86 K89 F90 I101W52-F60 HydrophobicContact CH2-CB 4.49Å; W52-F60 HydrophobicContact CH2-CD2 4.24Å; W52-F60 HydrophobicContact CZ3-CB 4Å; W52-F60 HydrophobicContact CZ3-CG 4.47Å; E56-F60 WeakPolarHBondContact O-CB 3.35Å; E56-F60 PolarHBondContact O-N 3.14Å; T57-F60 WeakPolarHBondContact O-CB 3.28Å; T57-F60 PolarHBondContact O-N 2.97Å; E58-F60 PolarHBondContact O-N 3.18Å; F60-A63 PolarHBondContact O-N 3.27Å; F60-L64 VanDerWaalsContact O-CB 3.32Å; F60-L64 WeakPolarHBondContact O-CB 3.16Å; F60-L64 PolarHBondContact O-N 2.93Å; F60-M74 HydrophobicContact CD2-SD 3.67Å; F60-M74 HydrophobicContact CE2-CE 4.4Å; F60-M74 HydrophobicContact CE2-SD 3.6Å; F60-M74 VanDerWaalsContact CE2-SD 3.6Å; F60-F78 HydrophobicContact CB-CZ 3.99Å; F60-L86 HydrophobicContact CD2-CD2 4.1Å; F60-L86 HydrophobicContact CE2-CD2 4.3Å; F60-K89 HydrophobicContact CD1-CG 4.26Å; F60-K89 HydrophobicContact CD2-CG 4.4Å; F60-K89 HydrophobicContact CE1-CG 4.25Å; F60-K89 HydrophobicContact CE2-CG 4.4Å; F60-K89 HydrophobicContact CG-CG 4.33Å; F60-K89 HydrophobicContact CZ-CG 4.33Å; F60-F90 HydrophobicContact CZ-CB 3.94Å; F60-F90 HydrophobicContact CZ-CD2 4.18Å; F60-I101 HydrophobicContact CE1-CD1 4.12Å
61Y96.9Very high94.7Very high24 Ų2452.1 Ų52.19%0.09429%0.286CS..Hα-helixtrans-65.1-38.5175.2-66.4-62.5000112.5T57 E58 L64 S65 E93 R100 I101T57-Y61 HydrophobicContact CG2-CD2 4.25Å; T57-Y61 HydrophobicContact CG2-CE2 3.64Å; T57-Y61 WeakPolarHBondContact O-CD2 3.21Å; T57-Y61 PolarHBondContact O-N 3.26Å; T57-Y61 VanDerWaalsContact O-N 3.16Å; E58-Y61 PolarHBondContact O-N 3.08Å; E58-Y61 VanDerWaalsContact O-N 3.16Å; Y61-L64 WeakPolarHBondContact O-CB 3.48Å; Y61-L64 PolarHBondContact O-N 2.95Å; Y61-S65 PolarHBondContact O-N 3.14Å; Y61-E93 PolarHBondContact OH-OE2 3.15Å; Y61-R100 HydrophobicContact CD1-CB 4.04Å; Y61-R100 HydrophobicContact CE1-CB 3.52Å; Y61-R100 HydrophobicContact CE2-CB 4.38Å; Y61-I101 HydrophobicContact CD1-CD1 4.17Å; Y61-I101 HydrophobicContact CE1-CD1 3.73Å; Y61-I101 HydrophobicContact CE1-CG1 4.26Å
62K95.3Very high94.9Very high85 Ų8552 Ų5237%0.3728%0.275SS..Hα-helixtrans-63.4-48.2174.3-67.1174.9-176.6175.10111.5E58 N59 L64 S65 Y66E58-K62 WeakPolarHBondContact O-CG 3.34Å; E58-K62 PolarHBondContact O-N 3.16Å; N59-K62 PolarHBondContact O-N 3.05Å; K62-L64 PolarHBondContact O-N 2.87Å; K62-S65 PolarHBondContact O-N 3.03Å; K62-S65 PolarHBondContact O-OG 3.45Å; K62-Y66 HydrophobicContact CB-CE2 4.17Å; K62-Y66 WeakPolarHBondContact O-CD2 3.38Å; K62-Y66 WeakPolarHBondContact O-CE2 3.47Å; K62-Y66 PolarHBondContact O-N 3.24Å
63A95.9Very high94.9Very high2 Ų251.3 Ų51.32%0.01728%0.281CS..Hα-helixtrans-60-36.8176.400000111.6N59 F60 S65 Y66 V67 M74 Y77 F78N59-A63 WeakPolarHBondContact O-CB 3.4Å; N59-A63 PolarHBondContact O-N 2.63Å; F60-A63 PolarHBondContact O-N 3.27Å; A63-S65 VanDerWaalsContact C-N 3.34Å; A63-S65 PolarHBondContact O-N 2.98Å; A63-Y66 PolarHBondContact O-N 2.82Å; A63-V67 WeakPolarHBondContact O-CB 3.48Å; A63-V67 PolarHBondContact O-N 3.22Å; A63-M74 HydrophobicContact CB-CE 4.18Å; A63-M74 HydrophobicContact CB-CG 3.92Å; A63-M74 HydrophobicContact CB-SD 4.23Å; A63-Y77 HydrophobicContact CB-CD2 4.12Å; A63-Y77 HydrophobicContact CB-CG 4.17Å; A63-F78 HydrophobicContact CB-CE2 4.05Å
64L95.1Very high94.9Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-65.1-34.4175.1-169.867.1000112.3F60 Y61 K62 Y66 G68 M74 F90 I101 A104 L105F60-L64 VanDerWaalsContact O-CB 3.32Å; F60-L64 WeakPolarHBondContact O-CB 3.16Å; F60-L64 PolarHBondContact O-N 2.93Å; Y61-L64 WeakPolarHBondContact O-CB 3.48Å; Y61-L64 PolarHBondContact O-N 2.95Å; K62-L64 PolarHBondContact O-N 2.87Å; L64-Y66 VanDerWaalsContact C-N 3.33Å; L64-G68 WeakPolarHBondContact CD1-O 3.5Å; L64-G68 WeakPolarHBondContact O-CA 3.35Å; L64-G68 PolarHBondContact O-N 3.05Å; L64-M74 HydrophobicContact CB-CE 4.09Å; L64-M74 HydrophobicContact CD1-CE 4Å; L64-F90 HydrophobicContact CD1-CD2 4.35Å; L64-F90 HydrophobicContact CD1-CE2 4.26Å; L64-F90 HydrophobicContact CD2-CD2 4.35Å; L64-F90 HydrophobicContact CD2-CE2 4.17Å; L64-I101 HydrophobicContact CD2-CD1 3.52Å; L64-I101 HydrophobicContact CD2-CG2 4.21Å; L64-A104 HydrophobicContact CB-CB 4.13Å; L64-A104 HydrophobicContact CD2-CB 3.87Å; L64-A104 HydrophobicContact CG-CB 4.04Å; L64-L105 HydrophobicContact CD1-CD2 4.02Å; L64-L105 HydrophobicContact CG-CD2 4.12Å
65S93.9Very high94.9Very high18 Ų1844.6 Ų44.613%0.12624%0.238CC..Hα-helixtrans-73.2-22.8174.762.10000114.2Y61 K62 A63 A104 F108Y61-S65 PolarHBondContact O-N 3.14Å; K62-S65 PolarHBondContact O-N 3.03Å; K62-S65 PolarHBondContact O-OG 3.45Å; A63-S65 VanDerWaalsContact C-N 3.34Å; A63-S65 PolarHBondContact O-N 2.98Å; S65-A104 WeakPolarHBondContact CA-O 3.43Å; S65-F108 WeakPolarHBondContact O-CA 3.37Å; S65-F108 WeakPolarHBondContact O-CB 3.43Å
66Y92.8Very high94.8Very high138 Ų13849.9 Ų49.954%0.54125%0.253SS..Hα-helixtrans-90-41.7178.5-62.4-54.4000113.3K62 A63 L64 F108K62-Y66 HydrophobicContact CB-CE2 4.17Å; K62-Y66 WeakPolarHBondContact O-CD2 3.38Å; K62-Y66 WeakPolarHBondContact O-CE2 3.47Å; K62-Y66 PolarHBondContact O-N 3.24Å; A63-Y66 PolarHBondContact O-N 2.82Å; L64-Y66 VanDerWaalsContact C-N 3.33Å; Y66-F108 WeakPolarHBondContact O-CD2 3.32Å; Y66-F108 VanDerWaalsContact O-CE2 3.22Å; Y66-F108 WeakPolarHBondContact O-CE2 3.49Å
67V93Very high94.7Very high30 Ų3052.6 Ų52.618%0.18226%0.262CS..Hα-helixtrans-103.3-26.5-171.6-178.40000112.1A63 D70 S73 Y77 F108A63-V67 WeakPolarHBondContact O-CB 3.48Å; A63-V67 PolarHBondContact O-N 3.22Å; V67-D70 HydrophobicContact CG1-CB 4.34Å; V67-S73 VanDerWaalsContact CG1-CB 3.44Å; V67-Y77 HydrophobicContact CG2-CE2 3.68Å; V67-F108 VanDerWaalsContact O-CE2 3.3Å; V67-F108 WeakPolarHBondContact O-CE2 3.4Å; V67-F108 WeakPolarHBondContact O-CZ 3.22Å
68G92.7Very high94.6Very high0 Ų052.2 Ų52.20%026%0.259CS..  trans75.5-159-168.300000112.6L64 D70L64-G68 WeakPolarHBondContact CD1-O 3.5Å; L64-G68 WeakPolarHBondContact O-CA 3.35Å; L64-G68 PolarHBondContact O-N 3.05Å; G68-D70 PolarHBondContact O-N 2.83Å
69A90.8Very high94.3Very high62 Ų6252.8 Ų52.851%0.51227%0.271SS..SBendtrans-7932.4-172.800000114.8L105A69-L105 HydrophobicContact CB-CD2 4.37Å
70D94.5Very high94Very high64 Ų6456.1 Ų56.134%0.34229%0.289SS..  trans-104.7103.7170.6179.726.9000112.1V67 G68 Q72 S73 M74V67-D70 HydrophobicContact CG1-CB 4.34Å; G68-D70 PolarHBondContact O-N 2.83Å; D70-Q72 VanDerWaalsContact C-N 3.27Å; D70-Q72 PolarHBondContact O-N 2.96Å; D70-Q72 PolarHBondContact OD1-N 2.83Å; D70-S73 VanDerWaalsContact OD2-CB 3.28Å; D70-S73 WeakPolarHBondContact OD2-CB 3.26Å; D70-S73 PolarHBondContact OD2-N 2.87Å; D70-S73 PolarHBondContact OD2-OG 2.75Å; D70-M74 PolarHBondContact O-N 2.74Å
71F95.6Very high93.9Very high24 Ų2456.9 Ų56.911%0.10529%0.292CS..Hα-helixtrans-71.7-18.2-179.5-49.3-57.7000114R83 L86 K87 F90F71-R83 HydrophobicContact CB-CG 3.97Å; F71-L86 HydrophobicContact CB-CB 4.18Å; F71-L86 HydrophobicContact CD1-CB 4.02Å; F71-L86 HydrophobicContact CG-CB 4.33Å; F71-K87 HydrophobicContact CD2-CB 3.93Å; F71-K87 HydrophobicContact CD2-CG 4.32Å; F71-K87 HydrophobicContact CE2-CB 3.97Å; F71-K87 HydrophobicContact CE2-CG 3.97Å; F71-K87 HydrophobicContact CG-CB 4.47Å; F71-F90 HydrophobicContact CE1-CB 3.63Å; F71-F90 HydrophobicContact CE1-CD2 4.23Å; F71-F90 AromaticContact CE1-CG 3.91Å; F71-F90 HydrophobicContact CE1-CG 3.91Å; F71-F90 HydrophobicContact CZ-CB 3.65Å; F71-F90 AromaticContact CZ-CD1 3.95Å; F71-F90 HydrophobicContact CZ-CD1 3.95Å; F71-F90 HydrophobicContact CZ-CD2 4.32Å; F71-F90 AromaticContact CZ-CG 3.7Å; F71-F90 HydrophobicContact CZ-CG 3.7Å
72Q95.2Very high93.7Very high109 Ų10958.5 Ų58.551%0.50931%0.306SS..Hα-helixtrans-72.4-47.6178.2-175.365.511.200110.3D70 M74 L75D70-Q72 VanDerWaalsContact C-N 3.27Å; D70-Q72 PolarHBondContact O-N 2.96Å; D70-Q72 PolarHBondContact OD1-N 2.83Å; Q72-M74 VanDerWaalsContact C-N 3.27Å; Q72-M74 PolarHBondContact O-N 3.14Å; Q72-L75 WeakPolarHBondContact O-CB 3.44Å; Q72-L75 PolarHBondContact O-N 3.45Å
73S94.3Very high93.6Very high50 Ų5060 Ų6035%0.3531%0.31SS..Hα-helixtrans-66.1-32.3176.2-60.90000111.9V67 D70 L75V67-S73 VanDerWaalsContact CG1-CB 3.44Å; D70-S73 VanDerWaalsContact OD2-CB 3.28Å; D70-S73 WeakPolarHBondContact OD2-CB 3.26Å; D70-S73 PolarHBondContact OD2-N 2.87Å; D70-S73 PolarHBondContact OD2-OG 2.75Å; S73-L75 VanDerWaalsContact C-N 3.25Å; S73-L75 PolarHBondContact O-N 3.02Å
74M95Very high93.4Very high0 Ų066.3 Ų66.30%034%0.339CS..Hα-helixtrans-67.2-18.6177.2-168.7176.1-67.700114.4F60 A63 L64 D70 Q72 Q76 Y77 F78 L86F60-M74 HydrophobicContact CD2-SD 3.67Å; F60-M74 HydrophobicContact CE2-CE 4.4Å; F60-M74 HydrophobicContact CE2-SD 3.6Å; F60-M74 VanDerWaalsContact CE2-SD 3.6Å; A63-M74 HydrophobicContact CB-CE 4.18Å; A63-M74 HydrophobicContact CB-CG 3.92Å; A63-M74 HydrophobicContact CB-SD 4.23Å; L64-M74 HydrophobicContact CB-CE 4.09Å; L64-M74 HydrophobicContact CD1-CE 4Å; D70-M74 PolarHBondContact O-N 2.74Å; Q72-M74 VanDerWaalsContact C-N 3.27Å; Q72-M74 PolarHBondContact O-N 3.14Å; M74-Q76 PolarHBondContact O-N 2.69Å; M74-Q76 VanDerWaalsContact O-N 3.15Å; M74-Y77 PolarHBondContact O-N 3.28Å; M74-Y77 VanDerWaalsContact O-N 3.14Å; M74-F78 HydrophobicContact CG-CD2 3.98Å; M74-F78 HydrophobicContact CG-CE2 3.83Å; M74-F78 HydrophobicContact SD-CE2 4.18Å; M74-L86 HydrophobicContact CB-CD1 4.11Å; M74-L86 HydrophobicContact CG-CD1 4.12Å; M74-L86 HydrophobicContact CG-CD2 4.49Å; M74-L86 HydrophobicContact SD-CD1 4.43Å; M74-L86 HydrophobicContact SD-CD2 4.12Å
75L94.6Very high93.4Very high48 Ų4867.1 Ų67.125%0.25134%0.343SS..G310 helixtrans-59.1-27.7-179.7-77.1172.2000113.9Q72 S73 Y77 F78 R81 R83 L86Q72-L75 WeakPolarHBondContact O-CB 3.44Å; Q72-L75 PolarHBondContact O-N 3.45Å; S73-L75 VanDerWaalsContact C-N 3.25Å; S73-L75 PolarHBondContact O-N 3.02Å; L75-Y77 PolarHBondContact O-N 3.3Å; L75-F78 CarbonylContact O-C 3.31Å; L75-F78 VanDerWaalsContact O-C 3.31Å; L75-F78 PolarHBondContact O-N 3.19Å; L75-R81 VanDerWaalsContact CD2-O 3.31Å; L75-R81 WeakPolarHBondContact CD2-O 3.42Å; L75-R83 HydrophobicContact CD1-CB 4.32Å; L75-L86 HydrophobicContact CD2-CD1 3.9Å; L75-L86 HydrophobicContact CG-CD1 4.31Å
76Q93.7Very high93.4Very high165 Ų16566.2 Ų66.277%0.77134%0.337SS*.G310 helixtrans-62-29.9-179.9-60.1178.619.400112.1M74M74-Q76 PolarHBondContact O-N 2.69Å; M74-Q76 VanDerWaalsContact O-N 3.15Å
77Y93.3Very high93.5Very high101 Ų10165 Ų6540%0.39633%0.334SS..G310 helixtrans-82.3-15.5177.3-57.6-84.3000113.1A63 V67 M74 L75A63-Y77 HydrophobicContact CB-CD2 4.12Å; A63-Y77 HydrophobicContact CB-CG 4.17Å; V67-Y77 HydrophobicContact CG2-CE2 3.68Å; M74-Y77 PolarHBondContact O-N 3.28Å; M74-Y77 VanDerWaalsContact O-N 3.14Å; L75-Y77 PolarHBondContact O-N 3.3Å
78F94.1Very high93.5Very high11 Ų1167.7 Ų67.75%0.04834%0.341CS..  trans-132.574.4-173.6-59.9-78.6000111.8W52 N59 F60 A63 M74 L75 N80 R81 L86W52-F78 HydrophobicContact CZ3-CE1 4.2Å; N59-F78 HydrophobicContact CB-CE1 4.26Å; N59-F78 HydrophobicContact CB-CZ 4.21Å; F60-F78 HydrophobicContact CB-CZ 3.99Å; A63-F78 HydrophobicContact CB-CE2 4.05Å; M74-F78 HydrophobicContact CG-CD2 3.98Å; M74-F78 HydrophobicContact CG-CE2 3.83Å; M74-F78 HydrophobicContact SD-CE2 4.18Å; L75-F78 CarbonylContact O-C 3.31Å; L75-F78 VanDerWaalsContact O-C 3.31Å; L75-F78 PolarHBondContact O-N 3.19Å; F78-N80 PolarHBondContact O-N 3.31Å; F78-N80 VanDerWaalsContact O-N 3.12Å; F78-R81 HydrophobicContact CB-CB 3.78Å; F78-R81 HydrophobicContact CB-CG 3.79Å; F78-R81 HydrophobicContact CD1-CG 4.35Å; F78-R81 HydrophobicContact CG-CG 4.38Å; F78-R81 PolarHBondContact O-N 3.35Å; F78-R81 VanDerWaalsContact O-N 3.08Å; F78-L86 HydrophobicContact CD2-CD1 4.45Å; F78-L86 HydrophobicContact CD2-CD2 3.69Å; F78-L86 HydrophobicContact CE2-CD2 4.1Å; F78-L86 HydrophobicContact CG-CD2 4.13Å
79P90.3Very high93.7Very high114 Ų11468.5 Ų68.574%0.7435%0.345SS*.THydrogen-bonded Turntrans-61.8-25.2-177.724.5-34.6000113.4
80N91.4Very high93.9Very high133 Ų13367.3 Ų67.371%0.71133%0.328SS*.THydrogen-bonded Turntrans-90.93.2-178.7-62.6-19.7000113.7F78F78-N80 PolarHBondContact O-N 3.31Å; F78-N80 VanDerWaalsContact O-N 3.12Å
81R93Very high94Very high17 Ų1769 Ų696%0.06434%0.336CS..  trans-123145.5-171.9-54.1-61.3-177163.10.9111.3P50 P51 E56 L75 F78P50-R81 PolarHBondContact O-NH1 3.05Å; P51-R81 PolarHBondContact O-NH2 3.12Å; E56-R81 IonicContact OE1-CZ 3.28Å; E56-R81 IonicContact OE1-NE 2.61Å; E56-R81 PolarHBondContact OE1-NE 3.25Å; E56-R81 IonicContact OE1-NH2 2.7Å; E56-R81 PolarHBondContact OE1-NH2 2.85Å; E56-R81 IonicContact OE2-NH2 3.41Å; E56-R81 PolarHBondContact OE2-NH2 3.26Å; L75-R81 VanDerWaalsContact CD2-O 3.31Å; L75-R81 WeakPolarHBondContact CD2-O 3.42Å; F78-R81 HydrophobicContact CB-CB 3.78Å; F78-R81 HydrophobicContact CB-CG 3.79Å; F78-R81 HydrophobicContact CD1-CG 4.35Å; F78-R81 HydrophobicContact CG-CG 4.38Å; F78-R81 PolarHBondContact O-N 3.35Å; F78-R81 VanDerWaalsContact O-N 3.08Å
82S92.9Very high94Very high57 Ų5773.9 Ų73.940%0.39936%0.357SS..  trans-89.1157.6173.7177.40000111.7E84 D85 L86S82-E84 PolarHBondContact O-N 3.2Å; S82-E84 VanDerWaalsContact O-N 3.16Å; S82-E84 PolarHBondContact OG-N 2.7Å; S82-D85 PolarHBondContact N-OD2 3.08Å; S82-D85 VanDerWaalsContact N-OD2 3.13Å; S82-D85 WeakPolarHBondContact O-CA 3.04Å; S82-D85 WeakPolarHBondContact O-CB 3.47Å; S82-D85 PolarHBondContact O-N 2.9Å; S82-L86 PolarHBondContact O-N 2.66Å; S82-L86 VanDerWaalsContact O-N 3.09Å
83R93.6Very high94Very high117 Ų11769.3 Ų69.344%0.44234%0.336SS..Hα-helixtrans-53.2-36.7172.6-178.5-176.9138.296.6-2.2111.4F71 L75 D85 L86 K87F71-R83 HydrophobicContact CB-CG 3.97Å; L75-R83 HydrophobicContact CD1-CB 4.32Å; R83-D85 VanDerWaalsContact C-N 3.35Å; R83-L86 PolarHBondContact O-N 3.39Å; R83-K87 WeakPolarHBondContact O-CB 3.31Å; R83-K87 PolarHBondContact O-N 2.87Å
84E92.6Very high94Very high134 Ų13470 Ų7063%0.62633%0.334SS*.Hα-helixtrans-70-30.3177.1-63.2-174.8173.500113.1S82 R88S82-E84 PolarHBondContact O-N 3.2Å; S82-E84 VanDerWaalsContact O-N 3.16Å; S82-E84 PolarHBondContact OG-N 2.7Å; E84-R88 WeakPolarHBondContact O-CB 3.38Å; E84-R88 VanDerWaalsContact O-CG 3.28Å; E84-R88 WeakPolarHBondContact O-CG 3.43Å; E84-R88 PolarHBondContact O-N 3.2Å; E84-R88 VanDerWaalsContact O-N 3.08Å; E84-R88 PolarHBondContact O-NE 2.84Å; E84-R88 VanDerWaalsContact O-NE 3.1Å
85D93.2Very high94.1Very high17 Ų1774.4 Ų74.49%0.09136%0.357CS..Hα-helixtrans-70.6-43.8174.4-66.6-48.1000110.3S82 R83 R88 K89S82-D85 PolarHBondContact N-OD2 3.08Å; S82-D85 VanDerWaalsContact N-OD2 3.13Å; S82-D85 WeakPolarHBondContact O-CA 3.04Å; S82-D85 WeakPolarHBondContact O-CB 3.47Å; S82-D85 PolarHBondContact O-N 2.9Å; R83-D85 VanDerWaalsContact C-N 3.35Å; D85-R88 PolarHBondContact O-N 3.31Å; D85-R88 IonicContact OD1-CZ 3.89Å; D85-R88 IonicContact OD1-NH2 2.78Å; D85-R88 PolarHBondContact OD1-NH2 3.14Å; D85-K89 WeakPolarHBondContact O-CB 3.41Å; D85-K89 PolarHBondContact O-N 2.79Å
86L95.2Very high94.1Very high0 Ų076 Ų760%037%0.371CS..Hα-helixtrans-61.1-47.5176.2-66.1174.1000111.5W52 F60 F71 M74 L75 F78 S82 R83 R88 K89 F90W52-L86 HydrophobicContact CH2-CD2 3.76Å; W52-L86 HydrophobicContact CZ2-CD2 4.22Å; F60-L86 HydrophobicContact CD2-CD2 4.1Å; F60-L86 HydrophobicContact CE2-CD2 4.3Å; F71-L86 HydrophobicContact CB-CB 4.18Å; F71-L86 HydrophobicContact CD1-CB 4.02Å; F71-L86 HydrophobicContact CG-CB 4.33Å; M74-L86 HydrophobicContact CB-CD1 4.11Å; M74-L86 HydrophobicContact CG-CD1 4.12Å; M74-L86 HydrophobicContact CG-CD2 4.49Å; M74-L86 HydrophobicContact SD-CD1 4.43Å; M74-L86 HydrophobicContact SD-CD2 4.12Å; L75-L86 HydrophobicContact CD2-CD1 3.9Å; L75-L86 HydrophobicContact CG-CD1 4.31Å; F78-L86 HydrophobicContact CD2-CD1 4.45Å; F78-L86 HydrophobicContact CD2-CD2 3.69Å; F78-L86 HydrophobicContact CE2-CD2 4.1Å; F78-L86 HydrophobicContact CG-CD2 4.13Å; S82-L86 PolarHBondContact O-N 2.66Å; S82-L86 VanDerWaalsContact O-N 3.09Å; R83-L86 PolarHBondContact O-N 3.39Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.42Å; L86-K89 WeakPolarHBondContact O-CB 3.5Å; L86-K89 PolarHBondContact O-N 3.42Å; L86-F90 PolarHBondContact O-N 3.49Å
87K94.4Very high94.1Very high111 Ų11171.3 Ų71.348%0.48335%0.351SS..Hα-helixtrans-58.5-44.7175-177.4177.8179.9177.70112F71 R83 K89 F90 I91F71-K87 HydrophobicContact CD2-CB 3.93Å; F71-K87 HydrophobicContact CD2-CG 4.32Å; F71-K87 HydrophobicContact CE2-CB 3.97Å; F71-K87 HydrophobicContact CE2-CG 3.97Å; F71-K87 HydrophobicContact CG-CB 4.47Å; R83-K87 WeakPolarHBondContact O-CB 3.31Å; R83-K87 PolarHBondContact O-N 2.87Å; K87-K89 VanDerWaalsContact C-N 3.34Å; K87-F90 PolarHBondContact O-N 2.97Å; K87-I91 HydrophobicContact CG-CD1 4.08Å; K87-I91 WeakPolarHBondContact O-CG1 3.31Å; K87-I91 PolarHBondContact O-N 3.41Å
88R94.1Very high94.3Very high87 Ų8774 Ų7433%0.32836%0.361SS..Hα-helixtrans-66.4-37.6178.2-79.8-177.6-71.1159.9-7.4112.2E84 D85 L86 I91 K92E84-R88 WeakPolarHBondContact O-CB 3.38Å; E84-R88 VanDerWaalsContact O-CG 3.28Å; E84-R88 WeakPolarHBondContact O-CG 3.43Å; E84-R88 PolarHBondContact O-N 3.2Å; E84-R88 VanDerWaalsContact O-N 3.08Å; E84-R88 PolarHBondContact O-NE 2.84Å; E84-R88 VanDerWaalsContact O-NE 3.1Å; D85-R88 PolarHBondContact O-N 3.31Å; D85-R88 IonicContact OD1-CZ 3.89Å; D85-R88 IonicContact OD1-NH2 2.78Å; D85-R88 PolarHBondContact OD1-NH2 3.14Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.42Å; R88-I91 PolarHBondContact O-N 3.46Å; R88-K92 WeakPolarHBondContact O-CB 3.28Å; R88-K92 PolarHBondContact O-N 3.09Å
89K95Very high94.4Very high17 Ų1780.5 Ų80.57%0.07439%0.385CS..Hα-helixtrans-63.2-47.7175.1-17861166.3174.80110.2W52 T57 F60 D85 L86 K87 I91 K92 E93W52-K89 HydrophobicContact CD2-CB 4.47Å; W52-K89 HydrophobicContact CD2-CD 3.63Å; W52-K89 HydrophobicContact CD2-CG 3.9Å; W52-K89 HydrophobicContact CE3-CD 4.16Å; W52-K89 HydrophobicContact CE3-CG 4.19Å; W52-K89 HydrophobicContact CG-CD 3.8Å; W52-K89 HydrophobicContact CH2-CB 4.23Å; W52-K89 HydrophobicContact CH2-CG 3.96Å; W52-K89 HydrophobicContact CZ2-CB 3.52Å; W52-K89 HydrophobicContact CZ2-CD 4.27Å; W52-K89 HydrophobicContact CZ2-CG 3.63Å; W52-K89 HydrophobicContact CZ3-CG 4.23Å; T57-K89 WeakPolarHBondContact OG1-CE 3.08Å; T57-K89 PolarHBondContact OG1-NZ 2.93Å; F60-K89 HydrophobicContact CD1-CG 4.26Å; F60-K89 HydrophobicContact CD2-CG 4.4Å; F60-K89 HydrophobicContact CE1-CG 4.25Å; F60-K89 HydrophobicContact CE2-CG 4.4Å; F60-K89 HydrophobicContact CG-CG 4.33Å; F60-K89 HydrophobicContact CZ-CG 4.33Å; D85-K89 WeakPolarHBondContact O-CB 3.41Å; D85-K89 PolarHBondContact O-N 2.79Å; L86-K89 WeakPolarHBondContact O-CB 3.5Å; L86-K89 PolarHBondContact O-N 3.42Å; K87-K89 VanDerWaalsContact C-N 3.34Å; K89-I91 PolarHBondContact O-N 3.34Å; K89-K92 PolarHBondContact O-N 3.02Å; K89-K92 VanDerWaalsContact O-N 3.14Å; K89-E93 HydrophobicContact CD-CG 3.95Å; K89-E93 VanDerWaalsContact CE-OE1 3.31Å; K89-E93 WeakPolarHBondContact CE-OE1 3.39Å; K89-E93 HydrophobicContact CG-CG 4.28Å; K89-E93 IonicContact NZ-OE1 2.82Å; K89-E93 PolarHBondContact NZ-OE1 3.13Å; K89-E93 WeakPolarHBondContact O-CG 3.46Å; K89-E93 PolarHBondContact O-N 2.61Å
90F96.4Very high94.6Very high37 Ų3780.8 Ų80.816%0.16237%0.371CS..Hα-helixtrans-54.8-50.7174.9-176.5-96.5000112F60 L64 F71 L86 K87 K92 E93 E94 I101F60-F90 HydrophobicContact CZ-CB 3.94Å; F60-F90 HydrophobicContact CZ-CD2 4.18Å; L64-F90 HydrophobicContact CD1-CD2 4.35Å; L64-F90 HydrophobicContact CD1-CE2 4.26Å; L64-F90 HydrophobicContact CD2-CD2 4.35Å; L64-F90 HydrophobicContact CD2-CE2 4.17Å; F71-F90 HydrophobicContact CE1-CB 3.63Å; F71-F90 HydrophobicContact CE1-CD2 4.23Å; F71-F90 AromaticContact CE1-CG 3.91Å; F71-F90 HydrophobicContact CE1-CG 3.91Å; F71-F90 HydrophobicContact CZ-CB 3.65Å; F71-F90 AromaticContact CZ-CD1 3.95Å; F71-F90 HydrophobicContact CZ-CD1 3.95Å; F71-F90 HydrophobicContact CZ-CD2 4.32Å; F71-F90 AromaticContact CZ-CG 3.7Å; F71-F90 HydrophobicContact CZ-CG 3.7Å; L86-F90 PolarHBondContact O-N 3.49Å; K87-F90 PolarHBondContact O-N 2.97Å; F90-K92 VanDerWaalsContact C-N 3.29Å; F90-K92 PolarHBondContact O-N 3.47Å; F90-E93 PolarHBondContact O-N 2.83Å; F90-E94 VanDerWaalsContact O-CB 3.28Å; F90-E94 WeakPolarHBondContact O-CB 3.45Å; F90-E94 PolarHBondContact O-N 3.16Å; F90-I101 HydrophobicContact CD2-CD1 4.01Å; F90-I101 HydrophobicContact CE2-CD1 4.04Å; F90-I101 HydrophobicContact CE2-CG2 3.56Å; F90-I101 HydrophobicContact CZ-CG2 3.91Å
91I95.1Very high94.9Very high99 Ų9974.4 Ų74.451%0.50834%0.337SS..Hα-helixtrans-60.3-39.5178.8-66164.4000111.7K87 R88 K89 L95K87-I91 HydrophobicContact CG-CD1 4.08Å; K87-I91 WeakPolarHBondContact O-CG1 3.31Å; K87-I91 PolarHBondContact O-N 3.41Å; R88-I91 PolarHBondContact O-N 3.46Å; K89-I91 PolarHBondContact O-N 3.34Å; I91-L95 PolarHBondContact O-N 2.97Å
92K95.9Very high95Very high127 Ų12777.4 Ų77.455%0.55236%0.355SS*.Hα-helixtrans-66.5-45.1177.2-173.3178.2-179.2179.20111.3R88 K89 F90 L95 C96R88-K92 WeakPolarHBondContact O-CB 3.28Å; R88-K92 PolarHBondContact O-N 3.09Å; K89-K92 PolarHBondContact O-N 3.02Å; K89-K92 VanDerWaalsContact O-N 3.14Å; F90-K92 VanDerWaalsContact C-N 3.29Å; F90-K92 PolarHBondContact O-N 3.47Å; K92-L95 PolarHBondContact O-N 2.89Å; K92-C96 WeakPolarHBondContact O-CB 3.28Å; K92-C96 PolarHBondContact O-N 3.1Å; K92-C96 PolarHBondContact O-SG 3.04Å
93E95.5Very high95.1Very high13 Ų1380.5 Ų80.56%0.06136%0.363CS..Hα-helixtrans-72.4-31.3-179.2-66.5-53.4152.800112.8Y61 K89 F90 L95 C96 N97 R98 I101Y61-E93 PolarHBondContact OH-OE2 3.15Å; K89-E93 HydrophobicContact CD-CG 3.95Å; K89-E93 VanDerWaalsContact CE-OE1 3.31Å; K89-E93 WeakPolarHBondContact CE-OE1 3.39Å; K89-E93 HydrophobicContact CG-CG 4.28Å; K89-E93 IonicContact NZ-OE1 2.82Å; K89-E93 PolarHBondContact NZ-OE1 3.13Å; K89-E93 WeakPolarHBondContact O-CG 3.46Å; K89-E93 PolarHBondContact O-N 2.61Å; F90-E93 PolarHBondContact O-N 2.83Å; E93-L95 PolarHBondContact O-N 3.28Å; E93-C96 PolarHBondContact O-N 3.08Å; E93-N97 CarbonylContact O-C 3.11Å; E93-N97 VanDerWaalsContact O-CA 3.26Å; E93-N97 WeakPolarHBondContact O-CA 3.36Å; E93-N97 PolarHBondContact O-N 3.42Å; E93-N97 PolarHBondContact OE2-ND2 3Å; E93-R98 PolarHBondContact O-N 3.33Å; E93-I101 HydrophobicContact CB-CD1 3.96Å; E93-I101 HydrophobicContact CB-CG1 4.15Å
94E95.8Very high95.2Very high65 Ų6575.1 Ų75.130%0.30434%0.343SS..Hα-helixtrans-60.8-38.2171.9-177.758.8-155.200111.1F90 R98 I101F90-E94 VanDerWaalsContact O-CB 3.28Å; F90-E94 WeakPolarHBondContact O-CB 3.45Å; F90-E94 PolarHBondContact O-N 3.16Å; E94-R98 WeakPolarHBondContact O-CB 3.38Å; E94-R98 WeakPolarHBondContact OE1-CD 3.36Å; E94-R98 WeakPolarHBondContact OE1-CG 3.46Å; E94-I101 VanDerWaalsContact OE2-CG2 3.22Å; E94-I101 WeakPolarHBondContact OE2-CG2 3.44Å
95L95.3Very high95.2Very high92 Ų9270.9 Ų70.948%0.48232%0.324SS..Hα-helixtrans-78.9-41.5178.9-173.663.6000112.8I91 K92 E93 L156 V160I91-L95 PolarHBondContact O-N 2.97Å; K92-L95 PolarHBondContact O-N 2.89Å; E93-L95 PolarHBondContact O-N 3.28Å; L95-L156 HydrophobicContact CD1-CB 4.16Å; L95-L156 HydrophobicContact CD1-CD1 4.3Å; L95-V160 HydrophobicContact CD2-CG2 3.95Å
96C95.3Very high95.2Very high81 Ų8174.2 Ų74.255%0.54735%0.348SS..Hα-helixtrans-86.9-37.3-174.8-660000113.2K92 E93K92-C96 WeakPolarHBondContact O-CB 3.28Å; K92-C96 PolarHBondContact O-N 3.1Å; K92-C96 PolarHBondContact O-SG 3.04Å; E93-C96 PolarHBondContact O-N 3.08Å
97N94.8Very high95Very high67 Ų6776.5 Ų76.536%0.35836%0.362SS..  trans-138.148.2-165.8-68.7-47.6000111.8E93 R99 R100E93-N97 CarbonylContact O-C 3.11Å; E93-N97 VanDerWaalsContact O-CA 3.26Å; E93-N97 WeakPolarHBondContact O-CA 3.36Å; E93-N97 PolarHBondContact O-N 3.42Å; E93-N97 PolarHBondContact OE2-ND2 3Å; N97-R99 VanDerWaalsContact C-N 3.26Å; N97-R99 PolarHBondContact O-N 3.48Å; N97-R99 VanDerWaalsContact O-N 3.14Å; N97-R100 PolarHBondContact O-N 3.32Å
98R95.8Very high94.8Very high157 Ų15773.4 Ų73.459%0.59235%0.349SS*.Hα-helixtrans-50.1-43.3-175.6-161.5171.675.9-178-0.3113.6E93 E94 R100 I101 D102E93-R98 PolarHBondContact O-N 3.33Å; E94-R98 WeakPolarHBondContact O-CB 3.38Å; E94-R98 WeakPolarHBondContact OE1-CD 3.36Å; E94-R98 WeakPolarHBondContact OE1-CG 3.46Å; R98-R100 PolarHBondContact O-N 3.26Å; R98-R100 VanDerWaalsContact O-N 3.14Å; R98-I101 WeakPolarHBondContact O-CB 3.32Å; R98-I101 PolarHBondContact O-N 3.29Å; R98-D102 IonicContact NE-OD2 2.72Å; R98-D102 PolarHBondContact O-N 3.33Å
99R96.3Very high94.6Very high148 Ų14874.3 Ų74.356%0.55836%0.359SS*.Hα-helixtrans-54.5-36.4178.8-167.9-176.669.177.8-6.6113.5N97 H103N97-R99 VanDerWaalsContact C-N 3.26Å; N97-R99 PolarHBondContact O-N 3.48Å; N97-R99 VanDerWaalsContact O-N 3.14Å; R99-H103 WeakPolarHBondContact O-CB 3.49Å; R99-H103 PolarHBondContact O-N 3.1Å
100R95.8Very high94.1Very high120 Ų12075.7 Ų75.745%0.45338%0.378SS..Hα-helixtrans-73.6-37.2179.7-67-171.2177-163-2.2111.6Y61 N97 R98 A104Y61-R100 HydrophobicContact CD1-CB 4.04Å; Y61-R100 HydrophobicContact CE1-CB 3.52Å; Y61-R100 HydrophobicContact CE2-CB 4.38Å; N97-R100 PolarHBondContact O-N 3.32Å; R98-R100 PolarHBondContact O-N 3.26Å; R98-R100 VanDerWaalsContact O-N 3.14Å; R100-A104 WeakPolarHBondContact O-CB 3.1Å; R100-A104 PolarHBondContact O-N 3.4Å; R100-A104 VanDerWaalsContact O-N 3.08Å
101I96.4Very high93.2Very high0 Ų078.8 Ų78.80%040%0.397CS..Hα-helixtrans-67-48.8174.8-63.4-65.8000110.1F60 Y61 L64 F90 E93 E94 R98 H103 A104 L105F60-I101 HydrophobicContact CE1-CD1 4.12Å; Y61-I101 HydrophobicContact CD1-CD1 4.17Å; Y61-I101 HydrophobicContact CE1-CD1 3.73Å; Y61-I101 HydrophobicContact CE1-CG1 4.26Å; L64-I101 HydrophobicContact CD2-CD1 3.52Å; L64-I101 HydrophobicContact CD2-CG2 4.21Å; F90-I101 HydrophobicContact CD2-CD1 4.01Å; F90-I101 HydrophobicContact CE2-CD1 4.04Å; F90-I101 HydrophobicContact CE2-CG2 3.56Å; F90-I101 HydrophobicContact CZ-CG2 3.91Å; E93-I101 HydrophobicContact CB-CD1 3.96Å; E93-I101 HydrophobicContact CB-CG1 4.15Å; E94-I101 VanDerWaalsContact OE2-CG2 3.22Å; E94-I101 WeakPolarHBondContact OE2-CG2 3.44Å; R98-I101 WeakPolarHBondContact O-CB 3.32Å; R98-I101 PolarHBondContact O-N 3.29Å; I101-H103 VanDerWaalsContact C-N 3.29Å; I101-H103 PolarHBondContact O-N 3.31Å; I101-A104 PolarHBondContact O-N 3.04Å; I101-A104 VanDerWaalsContact O-N 3.16Å; I101-L105 HydrophobicContact CG2-CD1 3.74Å; I101-L105 HydrophobicContact CG2-CG 4.22Å; I101-L105 WeakPolarHBondContact O-CG 3.23Å; I101-L105 PolarHBondContact O-N 3.18Å
102D95.6Very high92.5Very high80 Ų8079.6 Ų79.643%0.42840%0.402SS..Hα-helixtrans-56-45.4177.6-69.1-22.7000111.2R98 L105 C106R98-D102 IonicContact NE-OD2 2.72Å; R98-D102 PolarHBondContact O-N 3.33Å; D102-L105 PolarHBondContact O-N 3.24Å; D102-C106 WeakPolarHBondContact O-CB 3.48Å; D102-C106 PolarHBondContact O-N 3.28Å
103H95.8Very high91.5Very high122 Ų12280.8 Ų80.857%0.56541%0.407SS*.Hα-helixtrans-60.3-51.1176.2-179.2-83.1000111.7R99 I101 L105 C106 T107R99-H103 WeakPolarHBondContact O-CB 3.49Å; R99-H103 PolarHBondContact O-N 3.1Å; I101-H103 VanDerWaalsContact C-N 3.29Å; I101-H103 PolarHBondContact O-N 3.31Å; H103-L105 VanDerWaalsContact C-N 3.33Å; H103-L105 PolarHBondContact O-N 3.41Å; H103-C106 PolarHBondContact O-N 3.3Å; H103-T107 PolarHBondContact O-N 3.29Å; H103-T107 PolarHBondContact O-OG1 3.39Å
104A94.8Very high89.9Confident3 Ų385.5 Ų85.53%0.02544%0.437CS..Hα-helixtrans-60.4-41-179.800000112.4L64 S65 R100 I101 T107 F108L64-A104 HydrophobicContact CB-CB 4.13Å; L64-A104 HydrophobicContact CD2-CB 3.87Å; L64-A104 HydrophobicContact CG-CB 4.04Å; S65-A104 WeakPolarHBondContact CA-O 3.43Å; R100-A104 WeakPolarHBondContact O-CB 3.1Å; R100-A104 PolarHBondContact O-N 3.4Å; R100-A104 VanDerWaalsContact O-N 3.08Å; I101-A104 PolarHBondContact O-N 3.04Å; I101-A104 VanDerWaalsContact O-N 3.16Å; A104-T107 PolarHBondContact O-N 3.4Å; A104-F108 PolarHBondContact O-N 3.24Å
105L93.6Very high88.4Confident45 Ų4586.3 Ų86.324%0.23645%0.447CS..Hα-helixtrans-70.3-37.8177.1-68.1177000112.4L64 A69 I101 D102 H103 T107 F108 L109L64-L105 HydrophobicContact CD1-CD2 4.02Å; L64-L105 HydrophobicContact CG-CD2 4.12Å; A69-L105 HydrophobicContact CB-CD2 4.37Å; I101-L105 HydrophobicContact CG2-CD1 3.74Å; I101-L105 HydrophobicContact CG2-CG 4.22Å; I101-L105 WeakPolarHBondContact O-CG 3.23Å; I101-L105 PolarHBondContact O-N 3.18Å; D102-L105 PolarHBondContact O-N 3.24Å; H103-L105 VanDerWaalsContact C-N 3.33Å; H103-L105 PolarHBondContact O-N 3.41Å; L105-T107 VanDerWaalsContact C-N 3.35Å; L105-F108 WeakPolarHBondContact O-CB 3.47Å; L105-F108 PolarHBondContact O-N 3.03Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.07Å
106C93Very high86.7Confident87 Ų8790.1 Ų90.159%0.58846%0.461SS*.Hα-helixtrans-62.7-43.2174.2-171.90000111D102 H103 F108 L109 G110D102-C106 WeakPolarHBondContact O-CB 3.48Å; D102-C106 PolarHBondContact O-N 3.28Å; H103-C106 PolarHBondContact O-N 3.3Å; C106-F108 VanDerWaalsContact C-N 3.34Å; C106-F108 PolarHBondContact O-N 2.91Å; C106-L109 PolarHBondContact O-N 3.42Å; C106-G110 PolarHBondContact O-N 3.25Å
107T91Very high85.1Confident49 Ų4994.9 Ų94.930%0.30147%0.472SS..Hα-helixtrans-58.7-45.6173.2-55.30000111.3H103 A104 L105 L109 G110 N111H103-T107 PolarHBondContact O-N 3.29Å; H103-T107 PolarHBondContact O-OG1 3.39Å; A104-T107 PolarHBondContact O-N 3.4Å; L105-T107 VanDerWaalsContact C-N 3.35Å; T107-L109 PolarHBondContact O-N 3.26Å; T107-G110 PolarHBondContact O-N 3.23Å; T107-N111 PolarHBondContact O-N 3.28Å; T107-N111 PolarHBondContact O-ND2 3.31Å; T107-N111 PolarHBondContact O-OD1 3.39Å
108F90.5Very high83.1Confident45 Ų4597.7 Ų97.720%0.19749%0.487CS..Hα-helixtrans-59.1-45.2177.1176.5-107.3000112.5S65 Y66 V67 A104 L105 C106 N111 L112S65-F108 WeakPolarHBondContact O-CA 3.37Å; S65-F108 WeakPolarHBondContact O-CB 3.43Å; Y66-F108 WeakPolarHBondContact O-CD2 3.32Å; Y66-F108 VanDerWaalsContact O-CE2 3.22Å; Y66-F108 WeakPolarHBondContact O-CE2 3.49Å; V67-F108 VanDerWaalsContact O-CE2 3.3Å; V67-F108 WeakPolarHBondContact O-CE2 3.4Å; V67-F108 WeakPolarHBondContact O-CZ 3.22Å; A104-F108 PolarHBondContact O-N 3.24Å; L105-F108 WeakPolarHBondContact O-CB 3.47Å; L105-F108 PolarHBondContact O-N 3.03Å; C106-F108 VanDerWaalsContact C-N 3.34Å; C106-F108 PolarHBondContact O-N 2.91Å; F108-N111 PolarHBondContact O-N 3.2Å; F108-L112 HydrophobicContact CD1-CD1 4.11Å; F108-L112 HydrophobicContact CE1-CD1 3.48Å; F108-L112 VanDerWaalsContact CE1-CD1 3.48Å; F108-L112 HydrophobicContact CE1-CG 4.45Å; F108-L112 HydrophobicContact CE2-CD1 4.22Å; F108-L112 HydrophobicContact CE2-CG 4.49Å; F108-L112 HydrophobicContact CZ-CD1 3.56Å; F108-L112 HydrophobicContact CZ-CG 4.28Å; F108-L112 PolarHBondContact O-N 3.49Å
109L88.2Confident80.9Confident106 Ų10694.8 Ų94.856%0.55550%0.496SS*.Hα-helixtrans-68.4-38.6178.6-68.2176.7000112.8L105 C106 T107 N111 L112 F113L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.07Å; C106-L109 PolarHBondContact O-N 3.42Å; T107-L109 PolarHBondContact O-N 3.26Å; L109-N111 PolarHBondContact O-N 3.04Å; L109-L112 PolarHBondContact O-N 3.33Å; L109-L112 VanDerWaalsContact O-N 3.15Å; L109-F113 WeakPolarHBondContact O-CB 3.27Å; L109-F113 PolarHBondContact O-N 3.35Å
110G86Confident78.7Confident46 Ų4693.1 Ų93.147%0.47450%0.503SS..Hα-helixtrans-61.7-35.1175.100000112.3C106 T107 F113C106-G110 PolarHBondContact O-N 3.25Å; T107-G110 PolarHBondContact O-N 3.23Å; G110-F113 CarbonylContact O-C 3.49Å
111N77.9Confident76.3Confident103 Ų10395.7 Ų95.755%0.55153%0.525SS*.Hα-helixtrans-70.5-31.3175.5-64.7-9.1000112.6T107 F108 L109T107-N111 PolarHBondContact O-N 3.28Å; T107-N111 PolarHBondContact O-ND2 3.31Å; T107-N111 PolarHBondContact O-OD1 3.39Å; F108-N111 PolarHBondContact O-N 3.2Å; L109-N111 PolarHBondContact O-N 3.04Å
112L78.8Confident74.2Confident116 Ų116100 Ų10061%0.60756%0.561SS**Hα-helixtrans-80.4-33175.9-69.7178.3000112.9F108 L109 T114F108-L112 HydrophobicContact CD1-CD1 4.11Å; F108-L112 HydrophobicContact CE1-CD1 3.48Å; F108-L112 VanDerWaalsContact CE1-CD1 3.48Å; F108-L112 HydrophobicContact CE1-CG 4.45Å; F108-L112 HydrophobicContact CE2-CD1 4.22Å; F108-L112 HydrophobicContact CE2-CG 4.49Å; F108-L112 HydrophobicContact CZ-CD1 3.56Å; F108-L112 HydrophobicContact CZ-CG 4.28Å; F108-L112 PolarHBondContact O-N 3.49Å; L109-L112 PolarHBondContact O-N 3.33Å; L109-L112 VanDerWaalsContact O-N 3.15Å; L112-T114 PolarHBondContact O-N 3.49Å
113F75.4Confident71.7Confident152 Ų152102.8 Ų102.867%0.66758%0.581SS**  trans-102.670.8-178.8-163.8-101.3000109.8L109 G110 P115L109-F113 WeakPolarHBondContact O-CB 3.27Å; L109-F113 PolarHBondContact O-N 3.35Å; G110-F113 CarbonylContact O-C 3.49Å; F113-P115 WeakPolarHBondContact O-CD 3.38Å
114T61.2Low69.3Low112 Ų112102.1 Ų102.169%0.68759%0.587SS**  trans-58.6120.7150.755.50000105.5L112 F116L112-T114 PolarHBondContact O-N 3.49Å; T114-F116 PolarHBondContact O-N 3.16Å
115P66.2Low67.2Low81 Ų81106.6 Ų106.653%0.52662%0.624SS.*  trans-51.8127.4176.521.5-31.6000106.9F113 K117F113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-K117 PolarHBondContact O-N 3.47Å
116F59.2Low65.2Low173 Ų173109.2 Ų109.276%0.75965%0.646SS**  trans-63.376.1163.2-177.1-95.1000105.5T114 D118T114-F116 PolarHBondContact O-N 3.16Å; F116-D118 PolarHBondContact O-N 3.04Å; F116-D118 VanDerWaalsContact O-N 3.16Å
117K61.5Low63.1Low180 Ų180111.8 Ų111.878%0.78365%0.654SS**  trans-74.4108.6177.1-118.5178.5176.4-179.60103.6P115 A119P115-K117 PolarHBondContact O-N 3.47Å; K117-A119 PolarHBondContact O-N 3.27Å; K117-A119 VanDerWaalsContact O-N 3.15Å
118D52.1Low61.4Low126 Ų126117.5 Ų117.567%0.67468%0.682SS**  trans-32.5115.6-178-66.9-49.3000111.8F116 T120F116-D118 PolarHBondContact O-N 3.04Å; F116-D118 VanDerWaalsContact O-N 3.16Å; D118-T120 PolarHBondContact O-N 3.39Å
119A50.1Low59.6Low96 Ų96121.1 Ų121.179%0.79371%0.708SS**  trans-71.971.6174.500000109.8K117K117-A119 PolarHBondContact O-N 3.27Å; K117-A119 VanDerWaalsContact O-N 3.15Å
120T48.8Very low58Low114 Ų114121.7 Ų121.770%0.69972%0.718SS**  trans-113101.2157.730.50000108D118D118-T120 PolarHBondContact O-N 3.39Å
121L45.9Very low56.3Low173 Ų173123.3 Ų123.391%0.90672%0.722SS**SBendtrans66.692170.3-58.4118.7000116.8
122A51.9Low55.1Low91 Ų91126.8 Ų126.875%0.75273%0.732SS**  171.2103.6124.600000110.6
123T43.7Very low54.1Low139 Ų139128.8 Ų128.885%0.85374%0.738SS**  trans57.6133.8132.8-45.50000119.8
124P46.2Very low53.1Low107 Ų107129.6 Ų129.670%0.69574%0.744SS**  trans-91.8147-146.736-34000115S126P124-S126 PolarHBondContact O-N 3.47Å
125A51.2Low52.6Low98 Ų98130.3 Ų130.381%0.8174%0.738SS**  trans19.898.3133.300000116.3
126S50.8Low51.6Low99 Ų99131.5 Ų131.569%0.69274%0.74SS**  trans-143.9109.9150-600000107.6P124P124-S126 PolarHBondContact O-N 3.47Å
127D48.5Very low51Low141 Ų141130.3 Ų130.375%0.75474%0.741SS**  trans67.376.8142.6-46.3-30.3000117.8
128L55.8Low50.4Low169 Ų169129.2 Ų129.289%0.88574%0.736SS**  trans-129.276.8142-68.2178000107.8P130L128-P130 WeakPolarHBondContact O-CD 3.19Å
129V51.7Low49.6Very low122 Ų122130.8 Ų130.874%0.73975%0.745SS**  trans-65.1113.1148.1176.70000104.1S131V129-S131 PolarHBondContact O-N 3.48Å
130P55.5Low49.3Very low118 Ų118134.7 Ų134.777%0.76675%0.746SS**  trans-66.798.7166-10.528.6000104.4L128 F132L128-P130 WeakPolarHBondContact O-CD 3.19Å; P130-F132 PolarHBondContact O-N 3.11Å
131S49.6Very low48.9Very low80 Ų80133.9 Ų133.956%0.55975%0.751SS**  trans-50.5118.216137.60000105.5V129 E133V129-S131 PolarHBondContact O-N 3.48Å; S131-E133 PolarHBondContact O-N 3.26Å
132F52.8Low48.4Very low175 Ų175133 Ų13377%0.76875%0.747SS**  trans-62.980.7164.6176-101.7000105.6P130 E134P130-F132 PolarHBondContact O-N 3.11Å; F132-E134 PolarHBondContact O-N 3.47Å
133E58.5Low48Very low158 Ų158132.8 Ų132.874%0.73874%0.741SS**  trans-63.9122.2175.4-76.5-177.5171.500106.7S131 F135S131-E133 PolarHBondContact O-N 3.26Å; E133-F135 PolarHBondContact O-N 3.42Å; E133-F135 VanDerWaalsContact O-N 3.15Å
134E53.4Low48Very low170 Ų170134.3 Ų134.379%0.79474%0.744SS**  trans-47.8121.3176.1-78.3173.5146.500109.3F132 D136F132-E134 PolarHBondContact O-N 3.47Å; E134-D136 VanDerWaalsContact C-N 3.32Å; E134-D136 PolarHBondContact O-N 3.03Å
135F51.1Low47.8Very low127 Ų127137.8 Ų137.856%0.55775%0.751SS**  trans-68.790.3-178.6-174.8-97.7000109.5E133 L137E133-F135 PolarHBondContact O-N 3.42Å; E133-F135 VanDerWaalsContact O-N 3.15Å; F135-L137 HydrophobicContact CE1-CD2 4.4Å; F135-L137 PolarHBondContact O-N 3.24Å
136D44.9Very low47.3Very low106 Ų106137.5 Ų137.557%0.56775%0.748SS**  trans-69.6117.2172.3-98.2-15.2000109.8E134 K138E134-D136 VanDerWaalsContact C-N 3.32Å; E134-D136 PolarHBondContact O-N 3.03Å; D136-K138 VanDerWaalsContact C-N 3.29Å; D136-K138 HydrophobicContact CB-CD 4.3Å; D136-K138 HydrophobicContact CB-CG 4.44Å; D136-K138 PolarHBondContact O-N 2.98Å; D136-K138 WeakPolarHBondContact OD2-CE 3.39Å; D136-K138 IonicContact OD2-NZ 2.69Å; D136-K138 PolarHBondContact OD2-NZ 2.77Å
137L47.5Very low47.1Very low148 Ų148139.4 Ų139.478%0.77574%0.744SS**  trans-62.884.7170.2-74.9156.6000110F135F135-L137 HydrophobicContact CE1-CD2 4.4Å; F135-L137 PolarHBondContact O-N 3.24Å
138K48.3Very low46.5Very low156 Ų156141.5 Ų141.568%0.67875%0.749SS**  trans-124.3102171.6-64.6172.8-171.9152.60108.2D136 E140D136-K138 VanDerWaalsContact C-N 3.29Å; D136-K138 HydrophobicContact CB-CD 4.3Å; D136-K138 HydrophobicContact CB-CG 4.44Å; D136-K138 PolarHBondContact O-N 2.98Å; D136-K138 WeakPolarHBondContact OD2-CE 3.39Å; D136-K138 IonicContact OD2-NZ 2.69Å; D136-K138 PolarHBondContact OD2-NZ 2.77Å; K138-E140 PolarHBondContact O-N 2.95Å
139N36.2Very low46.5Very low160 Ų160138.2 Ų138.286%0.85674%0.736SS**  trans-57.3114.4173.2-63.9-38.5000109.3
140E43.5Very low46.2Very low177 Ų177140.8 Ų140.883%0.82774%0.74SS**  trans-127.7110.9161.6-83.7-76166.700105.9K138K138-E140 PolarHBondContact O-N 2.95Å
141A39.9Very low45.9Very low97 Ų97140.7 Ų140.780%0.80273%0.733SS**  trans-93.791-178.200000108.1
142D36.5Very low45.9Very low155 Ų155142.5 Ų142.583%0.82975%0.746SS**  trans-175.8135.8162.7-119.4-18.4000105.4
143S42.4Very low45.7Very low87 Ų87141.9 Ų141.961%0.60874%0.743SS**  cis-156.4115.515.944.10000104.7E145S143-E145 PolarHBondContact O-N 3.04Å
144N43.2Very low45.5Very low171 Ų171143 Ų14391%0.91475%0.748SS**  trans-74.294.1173.5-74.1-58.6000107.9A146N144-A146 PolarHBondContact O-N 2.99Å; N144-A146 VanDerWaalsContact O-N 3.08Å
145E43.5Very low45.5Very low180 Ų180139.7 Ų139.784%0.84174%0.741SS**  trans-62112.5167.4-70.1-154.8156.900109.1S143 F147S143-E145 PolarHBondContact O-N 3.04Å; E145-F147 PolarHBondContact O-N 3.06Å; E145-F147 VanDerWaalsContact O-N 3.1Å
146A40Very low45.7Very low92 Ų92138.9 Ų138.976%0.7674%0.742SS**  trans-65.7104175.600000109.1N144 E148N144-A146 PolarHBondContact O-N 2.99Å; N144-A146 VanDerWaalsContact O-N 3.08Å; A146-E148 PolarHBondContact O-N 3.47Å
147F45.9Very low46.3Very low139 Ų139137.2 Ų137.261%0.6174%0.743SS**  trans-85.298165.9-177.4-118.2000108.3E145 V149E145-F147 PolarHBondContact O-N 3.06Å; E145-F147 VanDerWaalsContact O-N 3.1Å; F147-V149 HydrophobicContact CD1-CB 4.41Å; F147-V149 HydrophobicContact CD1-CG2 3.65Å; F147-V149 HydrophobicContact CD2-CG2 4.42Å; F147-V149 HydrophobicContact CE1-CB 4.07Å; F147-V149 HydrophobicContact CE1-CG2 3.05Å; F147-V149 HydrophobicContact CE2-CG2 3.9Å; F147-V149 HydrophobicContact CG-CG2 4.31Å; F147-V149 HydrophobicContact CZ-CG2 3.19Å; F147-V149 PolarHBondContact O-N 3.21Å
148E37.2Very low46.6Very low184 Ų184132.7 Ų132.786%0.8673%0.727SS**  trans-72.5105.1171.4-68.8-176.616200109.1A146A146-E148 PolarHBondContact O-N 3.47Å
149V54.3Low47Very low100 Ų100131.1 Ų131.161%0.60673%0.725SS**  trans-120.4105.1164.3169.90000109.2F147F147-V149 HydrophobicContact CD1-CB 4.41Å; F147-V149 HydrophobicContact CD1-CG2 3.65Å; F147-V149 HydrophobicContact CD2-CG2 4.42Å; F147-V149 HydrophobicContact CE1-CB 4.07Å; F147-V149 HydrophobicContact CE1-CG2 3.05Å; F147-V149 HydrophobicContact CE2-CG2 3.9Å; F147-V149 HydrophobicContact CG-CG2 4.31Å; F147-V149 HydrophobicContact CZ-CG2 3.19Å; F147-V149 PolarHBondContact O-N 3.21Å
150E46.7Very low48Very low176 Ų176126.9 Ų126.982%0.82271%0.705SS**  trans7.1120.2147.2-81-80.7150.100117.1S152E150-S152 PolarHBondContact O-N 3.28Å
151D48.9Very low48.4Very low117 Ų117120.7 Ų120.763%0.62668%0.684SS**  trans-52.7106.4176-94.7-33000112.4K153D151-K153 HydrophobicContact CB-CD 4.5Å; D151-K153 HydrophobicContact CB-CG 4.47Å; D151-K153 VanDerWaalsContact CG-NZ 3.31Å; D151-K153 WeakPolarHBondContact OD1-CE 3.42Å; D151-K153 WeakPolarHBondContact OD1-CG 3.4Å; D151-K153 IonicContact OD1-NZ 3.43Å; D151-K153 PolarHBondContact OD1-NZ 3.46Å; D151-K153 WeakPolarHBondContact OD2-CE 3.37Å; D151-K153 IonicContact OD2-NZ 2.7Å; D151-K153 PolarHBondContact OD2-NZ 3.3Å
152S50Low49.3Very low118 Ų118123.4 Ų123.483%0.82568%0.68SS**  trans-114.979.1149.345.30000107.9E150 E154E150-S152 PolarHBondContact O-N 3.28Å; S152-E154 PolarHBondContact O-N 3.48Å
153K47.3Very low50Low161 Ų161122.9 Ų122.970%0.767%0.672SS**  trans-72.496.4175.2-74.8166.5169.1145.40109.7D151D151-K153 HydrophobicContact CB-CD 4.5Å; D151-K153 HydrophobicContact CB-CG 4.47Å; D151-K153 VanDerWaalsContact CG-NZ 3.31Å; D151-K153 WeakPolarHBondContact OD1-CE 3.42Å; D151-K153 WeakPolarHBondContact OD1-CG 3.4Å; D151-K153 IonicContact OD1-NZ 3.43Å; D151-K153 PolarHBondContact OD1-NZ 3.46Å; D151-K153 WeakPolarHBondContact OD2-CE 3.37Å; D151-K153 IonicContact OD2-NZ 2.7Å; D151-K153 PolarHBondContact OD2-NZ 3.3Å
154E54.7Low50.5Low182 Ų182124.7 Ų124.785%0.8567%0.671SS**  trans-111.5116.3154.6-78.8-167.4162.200109.7S152 L156S152-E154 PolarHBondContact O-N 3.48Å; E154-L156 PolarHBondContact O-N 3.28Å
155P53.1Low51.1Low100 Ų100120 Ų12065%0.64965%0.646SS**  trans-86.978.5-162.135.1-36000112.1A157 A158P155-A157 PolarHBondContact O-N 3.49Å; P155-A158 WeakPolarHBondContact O-CB 3.47Å; P155-A158 PolarHBondContact O-N 2.99Å
156L55.7Low51.7Low111 Ų111112.8 Ų112.858%0.58162%0.62SS**THydrogen-bonded Turntrans-64.9-18.3161.2-83.8165.9000112.1L95 E154 A158 I159L95-L156 HydrophobicContact CD1-CB 4.16Å; L95-L156 HydrophobicContact CD1-CD1 4.3Å; E154-L156 PolarHBondContact O-N 3.28Å; L156-A158 PolarHBondContact O-N 3.18Å; L156-I159 HydrophobicContact CD2-CD1 4.13Å; L156-I159 PolarHBondContact O-N 3.42Å
157A57.1Low52.5Low71 Ų71113.6 Ų113.659%0.58761%0.611SS**Hα-helixtrans-61.4-23.7173.100000113.7P155 I159 V160 A161P155-A157 PolarHBondContact O-N 3.49Å; A157-I159 VanDerWaalsContact C-N 3.26Å; A157-I159 PolarHBondContact O-N 3.23Å; A157-V160 PolarHBondContact O-N 2.68Å; A157-A161 PolarHBondContact O-N 2.83Å; A157-A161 VanDerWaalsContact O-N 3.1Å
158A53.7Low53Low53 Ų53116.4 Ų116.444%0.43862%0.617SS.*Hα-helixtrans-61.8-34.3178.400000112.3P155 L156 V160 E162P155-A158 WeakPolarHBondContact O-CB 3.47Å; P155-A158 PolarHBondContact O-N 2.99Å; L156-A158 PolarHBondContact O-N 3.18Å; A158-V160 VanDerWaalsContact C-N 3.32Å; A158-V160 PolarHBondContact O-N 2.7Å; A158-E162 PolarHBondContact O-N 2.71Å
159I57.1Low54.2Low123 Ų123115.7 Ų115.763%0.63161%0.607SS**Hα-helixtrans-71.4-29.4-177.5-56.8175.9000111.5L156 A157L156-I159 HydrophobicContact CD2-CD1 4.13Å; L156-I159 PolarHBondContact O-N 3.42Å; A157-I159 VanDerWaalsContact C-N 3.26Å; A157-I159 PolarHBondContact O-N 3.23Å
160V56.5Low54.4Low71 Ų71118.4 Ų118.443%0.4361%0.61SS.*Hα-helixtrans-88.1-36.9-178.9-174.80000111.5L95 A157 A158 Q163 E164L95-V160 HydrophobicContact CD2-CG2 3.95Å; A157-V160 PolarHBondContact O-N 2.68Å; A158-V160 VanDerWaalsContact C-N 3.32Å; A158-V160 PolarHBondContact O-N 2.7Å; V160-Q163 WeakPolarHBondContact O-CB 3.49Å; V160-Q163 PolarHBondContact O-N 2.68Å; V160-E164 PolarHBondContact O-N 2.68Å
161A53.6Low54.9Low47 Ų47117 Ų11739%0.38861%0.606SS.*Hα-helixtrans-68.1-35.2178.600000112.7A157 Q163 E164 D165A157-A161 PolarHBondContact O-N 2.83Å; A157-A161 VanDerWaalsContact O-N 3.1Å; A161-Q163 PolarHBondContact O-N 3.41Å; A161-E164 PolarHBondContact O-N 2.9Å; A161-D165 WeakPolarHBondContact O-CB 3.32Å; A161-D165 PolarHBondContact O-N 3.21Å
162E58.1Low55.4Low154 Ų154118.7 Ų118.772%0.7261%0.61SS**Hα-helixtrans-60.7-32.3174-80.3-161.9150.600112.6A158 G166A158-E162 PolarHBondContact O-N 2.71Å; E162-G166 PolarHBondContact O-N 3.38Å; E162-G166 VanDerWaalsContact O-N 3.16Å
163Q50.3Low55.9Low143 Ų143122.9 Ų122.967%0.66861%0.607SS**Hα-helixtrans-73-33.3178.9-160.881.8-4.600112.1V160 A161 I167V160-Q163 WeakPolarHBondContact O-CB 3.49Å; V160-Q163 PolarHBondContact O-N 2.68Å; A161-Q163 PolarHBondContact O-N 3.41Å; Q163-I167 WeakPolarHBondContact O-CG1 3.28Å
164E52.5Low56.4Low125 Ų125121.5 Ų121.558%0.58460%0.603SS**Hα-helixtrans-84.7-37.9179.8-66.5-169.4165.800112.5V160 A161 G166 I167 R168V160-E164 PolarHBondContact O-N 2.68Å; A161-E164 PolarHBondContact O-N 2.9Å; E164-G166 VanDerWaalsContact C-N 3.29Å; E164-G166 PolarHBondContact O-N 2.76Å; E164-I167 WeakPolarHBondContact O-CB 3.22Å; E164-I167 PolarHBondContact O-N 3.11Å; E164-R168 PolarHBondContact O-N 3.06Å
165D56.2Low56.6Low73 Ų73116.5 Ų116.539%0.3959%0.588SS.*Hα-helixtrans-67.3-31.3174.7-82.8-14.8000112.4A161 I167 R168 R169A161-D165 WeakPolarHBondContact O-CB 3.32Å; A161-D165 PolarHBondContact O-N 3.21Å; D165-I167 PolarHBondContact O-N 3.49Å; D165-R168 PolarHBondContact O-N 3.34Å; D165-R169 WeakPolarHBondContact O-CG 3.48Å; D165-R169 PolarHBondContact O-N 3.22Å
166G56.4Low56.8Low29 Ų29119.7 Ų119.730%0.29959%0.592SS.*Hα-helixtrans-58.6-29.3171.100000113.2E162 E164 K170E162-G166 PolarHBondContact O-N 3.38Å; E162-G166 VanDerWaalsContact O-N 3.16Å; E164-G166 VanDerWaalsContact C-N 3.29Å; E164-G166 PolarHBondContact O-N 2.76Å; G166-K170 WeakPolarHBondContact O-CG 3.41Å
167I56.8Low57Low109 Ų109117.3 Ų117.356%0.55959%0.585SS**Hα-helixtrans-76.9-43.5178.2-59.7170.8000110.2Q163 E164 D165 R169 K170 M171Q163-I167 WeakPolarHBondContact O-CG1 3.28Å; E164-I167 WeakPolarHBondContact O-CB 3.22Å; E164-I167 PolarHBondContact O-N 3.11Å; D165-I167 PolarHBondContact O-N 3.49Å; I167-R169 PolarHBondContact O-N 3.22Å; I167-K170 PolarHBondContact O-N 3.32Å; I167-M171 PolarHBondContact O-N 3.2Å
168R57.5Low57Low197 Ų197120.4 Ų120.474%0.74359%0.587SS**Hα-helixtrans-64.5-40.1178.1-74.2-178177.4-107.11.4112.4E164 D165 K170 M171E164-R168 PolarHBondContact O-N 3.06Å; D165-R168 PolarHBondContact O-N 3.34Å; R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.49Å; R168-M171 PolarHBondContact O-N 3.1Å
169R61.6Low57.2Low170 Ų170121.8 Ų121.864%0.64259%0.59SS**Hα-helixtrans-67.2-26179.1-68.9178.5-169.7143.37.4113.5D165 I167D165-R169 WeakPolarHBondContact O-CG 3.48Å; D165-R169 PolarHBondContact O-N 3.22Å; I167-R169 PolarHBondContact O-N 3.22Å
170K58.7Low57.2Low157 Ų157120 Ų12068%0.68359%0.588SS**Hα-helixtrans-82.8-31.9179.3-73.2-175-179.8-177.70113.5G166 I167 R168 Q172 R173G166-K170 WeakPolarHBondContact O-CG 3.41Å; I167-K170 PolarHBondContact O-N 3.32Å; R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.49Å; K170-Q172 VanDerWaalsContact C-N 3.31Å; K170-Q172 PolarHBondContact O-N 3.24Å; K170-R173 PolarHBondContact O-N 2.72Å
171M57.6Low57.4Low147 Ų147123.8 Ų123.872%0.72460%0.601SS**Hα-helixtrans-63.2-35177.2-83.1-177.582.900112.9I167 R168 R173I167-M171 PolarHBondContact O-N 3.2Å; R168-M171 PolarHBondContact O-N 3.1Å; M171-R173 VanDerWaalsContact C-N 3.27Å; M171-R173 PolarHBondContact O-N 3.38Å
172Q59.6Low57.6Low152 Ų152128.7 Ų128.771%0.7162%0.616SS**Hα-helixtrans-70.8-18.8179.8-70.1-171.8-11.300114.4K170K170-Q172 VanDerWaalsContact C-N 3.31Å; K170-Q172 PolarHBondContact O-N 3.24Å
173R60Low57.8Low205 Ų205125.7 Ų125.777%0.77461%0.608SS**Hα-helixtrans-82.7-27.9-180-75.7-174.6162.6166-3.5113.2K170 M171K170-R173 PolarHBondContact O-N 2.72Å; M171-R173 VanDerWaalsContact C-N 3.27Å; M171-R173 PolarHBondContact O-N 3.38Å
174H57.2Low58.4Low133 Ų133122.6 Ų122.662%0.61660%0.602SS**Hα-helixtrans-84.7-31.8-177.8-75.238000112.8K176 S177H174-K176 PolarHBondContact O-N 3.48Å; H174-S177 PolarHBondContact O-N 3.26Å; H174-S177 PolarHBondContact O-OG 2.92Å; H174-S177 VanDerWaalsContact O-OG 3.11Å
175S58.9Low58.8Low76 Ų76123.4 Ų123.453%0.53161%0.61SS.*Hα-helixtrans-69.2-20.5177.8670000113.5
176K58Low59.1Low167 Ų167126.6 Ų126.673%0.72663%0.626SS**Hα-helixtrans-89.3-22.9-177.9-146.3169.4-170.6175.10113.4H174 T179H174-K176 PolarHBondContact O-N 3.48Å; K176-T179 PolarHBondContact O-OG1 3.15Å
177S58.7Low59.3Low62 Ų62134.1 Ų134.143%0.43465%0.651SS.*Hα-helixtrans-78.8-39.1176.350.50000112H174 T179 S180 E181H174-S177 PolarHBondContact O-N 3.26Å; H174-S177 PolarHBondContact O-OG 2.92Å; H174-S177 VanDerWaalsContact O-OG 3.11Å; S177-T179 PolarHBondContact O-N 3.46Å; S177-S180 PolarHBondContact O-N 3.3Å; S177-E181 PolarHBondContact O-N 2.78Å
178E58.1Low59.3Low136 Ų136139 Ų13964%0.63668%0.677SS**Hα-helixtrans-65.8-40.4-178.7-70.3174.617600111.7S180 E181 E182E178-S180 PolarHBondContact O-N 3.02Å; E178-E181 PolarHBondContact O-N 2.91Å; E178-E182 PolarHBondContact O-N 2.74Å
179T57.8Low59.4Low82 Ų82136.1 Ų136.150%0.50367%0.674SS.*Hα-helixtrans-69.4-21.3177.160.70000113.4K176 S177 V183K176-T179 PolarHBondContact O-OG1 3.15Å; S177-T179 PolarHBondContact O-N 3.46Å; T179-V183 WeakPolarHBondContact O-CG2 3.4Å; T179-V183 PolarHBondContact O-N 3.12Å
180S57.4Low59.3Low85 Ų85134.3 Ų134.359%0.59468%0.675SS**Hα-helixtrans-84.2-30.7-178.7-152.60000112.3S177 E178S177-S180 PolarHBondContact O-N 3.3Å; E178-S180 PolarHBondContact O-N 3.02Å
181E59.7Low59.3Low150 Ų150133.1 Ų133.170%0.70168%0.675SS**Hα-helixtrans-77.2-36.2174.3-68.2-172.7173.800111.5S177 E178 V183 S184S177-E181 PolarHBondContact O-N 2.78Å; E178-E181 PolarHBondContact O-N 2.91Å; E181-V183 PolarHBondContact O-N 3.15Å; E181-S184 PolarHBondContact O-N 3.28Å
182E58.8Low59.4Low150 Ų150132.2 Ų132.270%0.70167%0.672SS**Hα-helixtrans-67.2-36.1178.4-125.4179.8-177.900112.9E178 S184E178-E182 PolarHBondContact O-N 2.74Å; E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 3.43Å
183V61.4Low59.4Low92 Ų92131 Ų13156%0.55867%0.67SS**Hα-helixtrans-72.7-26177.71790000111.8T179 E181 L185 L186T179-V183 WeakPolarHBondContact O-CG2 3.4Å; T179-V183 PolarHBondContact O-N 3.12Å; E181-V183 PolarHBondContact O-N 3.15Å; V183-L185 PolarHBondContact O-N 2.98Å; V183-L186 PolarHBondContact O-N 3.02Å
184S62.6Low59.4Low77 Ų77126.1 Ų126.154%0.53866%0.663SS.*Hα-helixtrans-73-24.8179.2-170.50000113.6E181 E182 L186E181-S184 PolarHBondContact O-N 3.28Å; E182-S184 VanDerWaalsContact C-N 3.32Å; E182-S184 PolarHBondContact O-N 3.43Å; S184-L186 VanDerWaalsContact C-N 3.31Å
185L61.2Low59.5Low143 Ų143125.6 Ų125.675%0.74967%0.666SS**THydrogen-bonded Turntrans-82.8-7.8177.6-77.9170.9000113.6V183V183-L185 PolarHBondContact O-N 2.98Å
186L63.4Low59.6Low139 Ų139129.4 Ų129.473%0.72868%0.677SS**THydrogen-bonded Turntrans-93-3.5178.7-103.8153.9000114V183 S184V183-L186 PolarHBondContact O-N 3.02Å; S184-L186 VanDerWaalsContact C-N 3.31Å
187F59.6Low59.7Low188 Ų188126.3 Ų126.383%0.82567%0.673SS**  trans-121.522.6-179.6-82.2-80.3000114.5
188L58Low59.8Low211 Ų211132.1 Ų132.1100%1.10569%0.694SS**  trans-110.20165.1-98.9140.3000109.6

Retrieved 188 of 188 residues in 136.3 ms (Link to these results)

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