A0A093JSN0_STRCA Loading...

REST corepressor 1

AlphaFold DB , UniProt , Accession A0A093JSN0, Species STRCA (Struthio camelus australis), Gene n/a, Length 357 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
1A49.9Very low42.8Very low133 Ų133164.3 Ų164.3100%1.09980%0.804SS**  0-51.8000000113.7
2K37.4Very low43.2Very low201 Ų201164.2 Ų164.287%0.87481%0.81SS**Hα-helixtrans-71.8-26.1-178.1-84-179.3175.71760116.1
3L40.1Very low43.5Very low162 Ų162161.5 Ų161.585%0.84880%0.8SS**Hα-helixtrans-72-29.2177.9-83.1152.5000113.6
4A43.8Very low44.4Very low71 Ų71155.6 Ų155.659%0.58780%0.8SS**Hα-helixtrans-72.9-34.6-178.200000113.1
5R43.1Very low46Very low213 Ų213156.1 Ų156.180%0.80480%0.8SS**Hα-helixtrans-72.2-30.8179.5-93.4-173178.4164.7-0.1113.7S7R5-S7 PolarHBondContact O-N 2.88Å
6R40.5Very low47.8Very low218 Ų218153.8 Ų153.882%0.82379%0.789SS**THydrogen-bonded Turntrans-77.8-8.5-175.7-142.8179.5-167.3-179.93.3113.7
7S40.8Very low49.2Very low85 Ų85148.6 Ų148.659%0.59477%0.767SS**THydrogen-bonded Turntrans-95.3-8.8-178.7-163.80000113.5R5 E9R5-S7 PolarHBondContact O-N 2.88Å; S7-E9 VanDerWaalsContact C-N 3.31Å
8Q41.4Very low51.2Low168 Ų168143.8 Ų143.879%0.78574%0.737SS**THydrogen-bonded Turntrans-82.8-10.1-174.6-135.8147.8-15.800113.1
9E44.8Very low52.8Low175 Ų175138.5 Ų138.582%0.81871%0.714SS**THydrogen-bonded Turntrans-10315.6-177.1-70.5176.716200114S7S7-E9 VanDerWaalsContact C-N 3.31Å
10R41.4Very low54.1Low188 Ų188137.5 Ų137.571%0.70972%0.716SS**  trans-123.9100.5170.6-73.4-150.3-96.6-163.2-3.9110.7N12R10-N12 PolarHBondContact O-N 2.91Å
11E47.3Very low55.2Low193 Ų193133.5 Ų133.590%0.90270%0.696SS**THydrogen-bonded Turntrans-52.1125.3166-64.8-178159.200109.2
12N48.4Very low56.2Low163 Ų163136.6 Ų136.687%0.87269%0.688SS**THydrogen-bonded Turntrans72.152.9177.5-69.7-17.7000119.3R10R10-N12 PolarHBondContact O-N 2.91Å
13L46.8Very low57.9Low130 Ų130134.2 Ų134.268%0.68169%0.685SS**SBendtrans-128.9132.4151.9-71.8166.9000109.4
14G55.6Low59.7Low78 Ų78128 Ų12880%0.80465%0.652SS**  trans-45.9143.7-16600000115.7L16G14-L16 PolarHBondContact O-N 3.34Å
15M68.9Low61.6Low164 Ų164127.5 Ų127.581%0.80864%0.644SS**  trans-64.8126.3175.9-179.2170.553.800110V17M15-V17 HydrophobicContact CE-CG1 4.25Å; M15-V17 HydrophobicContact CG-CG1 4.49Å; M15-V17 PolarHBondContact O-N 3.29Å; M15-V17 VanDerWaalsContact O-N 3.08Å
16L74.9Confident63.4Low118 Ų118124.7 Ų124.762%0.61864%0.64SS**  trans-68.5106.8174.1-178.667.9000109.2G14 W18 F52G14-L16 PolarHBondContact O-N 3.34Å; L16-W18 VanDerWaalsContact CD1-O 3.31Å; L16-W18 WeakPolarHBondContact CD1-O 3.44Å; L16-F52 HydrophobicContact CD2-CE1 4.24Å; L16-F52 HydrophobicContact CD2-CZ 3.84Å; L16-F52 HydrophobicContact CG-CE1 4.16Å; L16-F52 HydrophobicContact CG-CZ 4.18Å; L16-F52 WeakPolarHBondContact O-CE1 3.5Å
17V71.7Confident65.7Low67 Ų67117.7 Ų117.741%0.40663%0.629SS.*  trans-95.4-14.7-178.7-67.30000113.5M15 G49 F52M15-V17 HydrophobicContact CE-CG1 4.25Å; M15-V17 HydrophobicContact CG-CG1 4.49Å; M15-V17 PolarHBondContact O-N 3.29Å; M15-V17 VanDerWaalsContact O-N 3.08Å; V17-G49 VanDerWaalsContact O-CA 3.27Å; V17-G49 WeakPolarHBondContact O-CA 3.42Å; V17-F52 WeakPolarHBondContact O-CB 3.45Å
18W84.4Confident67.9Low62 Ų62119.5 Ų119.524%0.23563%0.626CS.*  trans-157.9147.7179.4178.6-111.9000112.4L16 L29 L48 L51 F52 H56L16-W18 VanDerWaalsContact CD1-O 3.31Å; L16-W18 WeakPolarHBondContact CD1-O 3.44Å; W18-L29 HydrophobicContact CH2-CD1 3.81Å; W18-L29 HydrophobicContact CH2-CD2 4.26Å; W18-L29 HydrophobicContact CZ2-CD1 4.27Å; W18-L29 HydrophobicContact CZ2-CD2 3.89Å; W18-L48 HydrophobicContact CB-CB 4.37Å; W18-L48 HydrophobicContact CD2-CB 4.04Å; W18-L48 HydrophobicContact CD2-CD2 3.9Å; W18-L48 HydrophobicContact CD2-CG 4.38Å; W18-L48 HydrophobicContact CE3-CB 3.82Å; W18-L48 HydrophobicContact CE3-CD2 3.87Å; W18-L48 HydrophobicContact CE3-CG 4.41Å; W18-L48 VanDerWaalsContact CE3-O 3.26Å; W18-L48 HydrophobicContact CG-CB 4.28Å; W18-L48 HydrophobicContact CG-CD1 4.46Å; W18-L48 HydrophobicContact CH2-CD2 3.82Å; W18-L48 HydrophobicContact CZ2-CD2 3.85Å; W18-L48 HydrophobicContact CZ3-CB 4.43Å; W18-L48 HydrophobicContact CZ3-CD2 3.84Å; W18-L51 HydrophobicContact CH2-CD2 3.82Å; W18-L51 HydrophobicContact CH2-CG 4.41Å; W18-L51 HydrophobicContact CZ3-CB 4.07Å; W18-L51 HydrophobicContact CZ3-CD2 3.84Å; W18-L51 HydrophobicContact CZ3-CG 4Å; W18-F52 HydrophobicContact CE3-CB 3.97Å; W18-H56 AromaticContact CH2-CD2 3.42Å; W18-H56 VanDerWaalsContact CH2-CD2 3.42Å; W18-H56 WeakPolarHBondContact CH2-CD2 3.42Å; W18-H56 AromaticContact CH2-NE2 3.65Å; W18-H56 AromaticContact CZ3-CD2 3.52Å; W18-H56 AromaticContact CZ3-NE2 3.55Å
19S82.6Confident70.1Confident43 Ų43113 Ų11330%0.30160%0.597SS.*  trans-143.5140.5162.869.90000110F52 H56S19-F52 VanDerWaalsContact OG-CE2 3.22Å; S19-F52 WeakPolarHBondContact OG-CE2 3.33Å; S19-H56 PolarHBondContact O-CE1 3.47Å; S19-H56 VanDerWaalsContact O-CE1 3.29Å; S19-H56 PolarHBondContact O-NE2 2.95Å
20P78.3Confident72.2Confident117 Ų117109 Ų10976%0.7658%0.581SS**  trans-58.5144.7176-23.833.8000112.7
21N77.4Confident74.6Confident54 Ų54106 Ų10629%0.28958%0.575SS.*  trans-121.1130.6176.1-170.9-33.3000109.6N23 H56N21-N23 PolarHBondContact O-N 2.94Å; N21-N23 WeakPolarHBondContact OD1-CB 3.49Å; N21-N23 PolarHBondContact OD1-N 3.36Å; N21-H56 HydrophobicContact CB-CB 4.16Å; N21-H56 WeakPolarHBondContact ND2-CB 3.48Å; N21-H56 VanDerWaalsContact ND2-CG 3.32Å; N21-H56 PolarHBondContact ND2-ND1 3.25Å; N21-H56 VanDerWaalsContact ND2-ND1 3.18Å
22Q71.4Confident76.7Confident199 Ų19996.9 Ų96.993%0.9353%0.532SS*.THydrogen-bonded Turntrans-71.8-14.9-177.9-63.7-178.12.900113.4
23N71.6Confident78.7Confident151 Ų15190 Ų9081%0.80750%0.495SS*.THydrogen-bonded Turntrans-94-0.3-176.1-62.1-17.5000113.5N21N21-N23 PolarHBondContact O-N 2.94Å; N21-N23 WeakPolarHBondContact OD1-CB 3.49Å; N21-N23 PolarHBondContact OD1-N 3.36Å
24L77.9Confident80.7Confident32 Ų3285.6 Ų85.617%0.16848%0.478CS..SBendtrans-118.2114.3-175.3-155.6145.8000109.4L29 L51 H56 I58L24-L29 HydrophobicContact CD2-CB 3.57Å; L24-L29 HydrophobicContact CD2-CD1 4.15Å; L24-L29 HydrophobicContact CD2-CG 4.34Å; L24-L51 HydrophobicContact CD1-CD2 4.46Å; L24-H56 HydrophobicContact CD1-CB 3.92Å; L24-H56 VanDerWaalsContact CD1-O 3.24Å; L24-H56 WeakPolarHBondContact CD1-O 3.47Å; L24-I58 HydrophobicContact CD1-CD1 4.03Å; L24-I58 HydrophobicContact CD1-CG1 3.97Å; L24-I58 HydrophobicContact CD2-CD1 4.31Å; L24-I58 HydrophobicContact CG-CD1 4.26Å
25S84.4Confident82.3Confident60 Ų6083.9 Ų83.942%0.4245%0.45SS..  trans-67.7138.5178.356.30000110.9A27 K28 L29S25-A27 VanDerWaalsContact C-N 3.27Å; S25-A27 PolarHBondContact O-N 3.32Å; S25-K28 PolarHBondContact O-N 3.1Å; S25-K28 WeakPolarHBondContact OG-CD 3.3Å; S25-K28 VanDerWaalsContact OG-CG 3.3Å; S25-K28 WeakPolarHBondContact OG-CG 3.43Å; S25-L29 PolarHBondContact O-N 3.32Å
26E81.9Confident83.2Confident153 Ų15376.1 Ų76.172%0.71541%0.411SS*.Hα-helixtrans-49.9-43.9-179.9-167.3168.4-16400112.9K28 L29 D30E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.49Å; E26-L29 VanDerWaalsContact O-CB 3.31Å; E26-L29 WeakPolarHBondContact O-CB 3.31Å; E26-L29 PolarHBondContact O-N 3.17Å; E26-D30 PolarHBondContact O-N 3.09Å
27A87.4Confident83.6Confident72 Ų7277.3 Ų77.360%0.59541%0.412SS*.Hα-helixtrans-58.7-36.3177.600000114.5S25 E31S25-A27 VanDerWaalsContact C-N 3.27Å; S25-A27 PolarHBondContact O-N 3.32Å; A27-E31 PolarHBondContact O-N 2.69Å; A27-E31 VanDerWaalsContact O-N 3.15Å
28K86.9Confident84.2Confident123 Ų12381.8 Ų81.854%0.53543%0.428SS..Hα-helixtrans-76.1-28.8177.4-71.7-177.3179.3-177.10112S25 E26 Y32 I58S25-K28 PolarHBondContact O-N 3.1Å; S25-K28 WeakPolarHBondContact OG-CD 3.3Å; S25-K28 VanDerWaalsContact OG-CG 3.3Å; S25-K28 WeakPolarHBondContact OG-CG 3.43Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 3.49Å; K28-Y32 WeakPolarHBondContact O-CB 3.21Å; K28-Y32 PolarHBondContact O-N 3.45Å; K28-Y32 VanDerWaalsContact O-N 3.16Å; K28-I58 HydrophobicContact CB-CD1 3.88Å
29L87.9Confident84.1Confident31 Ų3186.4 Ų86.416%0.16245%0.45CS..Hα-helixtrans-68.4-45.1174.5-174.956.6000110.3W18 L24 S25 E26 Y32 I33 L48 L51W18-L29 HydrophobicContact CH2-CD1 3.81Å; W18-L29 HydrophobicContact CH2-CD2 4.26Å; W18-L29 HydrophobicContact CZ2-CD1 4.27Å; W18-L29 HydrophobicContact CZ2-CD2 3.89Å; L24-L29 HydrophobicContact CD2-CB 3.57Å; L24-L29 HydrophobicContact CD2-CD1 4.15Å; L24-L29 HydrophobicContact CD2-CG 4.34Å; S25-L29 PolarHBondContact O-N 3.32Å; E26-L29 VanDerWaalsContact O-CB 3.31Å; E26-L29 WeakPolarHBondContact O-CB 3.31Å; E26-L29 PolarHBondContact O-N 3.17Å; L29-Y32 PolarHBondContact O-N 2.75Å; L29-I33 HydrophobicContact CD1-CD1 4.28Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.23Å; L29-I33 PolarHBondContact O-N 2.74Å; L29-L48 HydrophobicContact CD1-CD2 3.98Å; L29-L51 HydrophobicContact CD1-CD2 3.34Å
30D89.3Confident84Confident90 Ų9086.4 Ų86.448%0.48145%0.445SS..Hα-helixtrans-63.6-43.2178.8-68.7-25.5000111.8E26 Y32 I33 A34E26-D30 PolarHBondContact O-N 3.09Å; D30-Y32 VanDerWaalsContact C-N 3.34Å; D30-Y32 PolarHBondContact O-N 3.13Å; D30-I33 PolarHBondContact O-N 3.06Å; D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 3.01Å
31E91.7Very high83.8Confident125 Ų12583.4 Ų83.458%0.58444%0.436SS*.Hα-helixtrans-59.6-44174.5-173.3179.7-176.200111.7A27 A34 I35A27-E31 PolarHBondContact O-N 2.69Å; A27-E31 VanDerWaalsContact O-N 3.15Å; E31-A34 PolarHBondContact O-N 3.32Å; E31-I35 HydrophobicContact CG-CD1 4.17Å; E31-I35 VanDerWaalsContact O-CG1 3.3Å; E31-I35 WeakPolarHBondContact O-CG1 3.41Å; E31-I35 PolarHBondContact O-N 2.96Å
32Y91.7Very high84Confident2 Ų281.3 Ų81.31%0.00842%0.424CS..Hα-helixtrans-63.2-44.4176167.3-93.7000112.5K28 L29 D30 A34 I35 A36 A47 L51 I58 S61 L62 L65K28-Y32 WeakPolarHBondContact O-CB 3.21Å; K28-Y32 PolarHBondContact O-N 3.45Å; K28-Y32 VanDerWaalsContact O-N 3.16Å; L29-Y32 PolarHBondContact O-N 2.75Å; D30-Y32 VanDerWaalsContact C-N 3.34Å; D30-Y32 PolarHBondContact O-N 3.13Å; Y32-A34 VanDerWaalsContact C-N 3.33Å; Y32-A34 PolarHBondContact O-N 2.76Å; Y32-I35 PolarHBondContact O-N 3.45Å; Y32-A36 WeakPolarHBondContact O-CB 3.48Å; Y32-A36 PolarHBondContact O-N 2.9Å; Y32-A47 HydrophobicContact CE1-CB 4.24Å; Y32-A47 WeakPolarHBondContact CE1-O 3.25Å; Y32-A47 PolarHBondContact OH-O 3.09Å; Y32-A47 VanDerWaalsContact OH-O 3.1Å; Y32-L51 HydrophobicContact CD1-CB 4.4Å; Y32-L51 HydrophobicContact CD1-CD2 3.81Å; Y32-L51 HydrophobicContact CD1-CG 4.5Å; Y32-L51 HydrophobicContact CE1-CB 3.66Å; Y32-L51 HydrophobicContact CE1-CD1 4.38Å; Y32-L51 HydrophobicContact CE1-CD2 3.92Å; Y32-L51 HydrophobicContact CE1-CG 4.2Å; Y32-L51 HydrophobicContact CG-CD2 4.47Å; Y32-I58 HydrophobicContact CD2-CG2 3.95Å; Y32-I58 HydrophobicContact CG-CG2 4.46Å; Y32-S61 PolarHBondContact OH-OG 2.71Å; Y32-L62 HydrophobicContact CD2-CD2 3.58Å; Y32-L62 HydrophobicContact CD2-CG 3.83Å; Y32-L62 HydrophobicContact CE2-CD2 3.8Å; Y32-L62 HydrophobicContact CE2-CG 4.05Å; Y32-L65 HydrophobicContact CE2-CD1 4.22Å
33I89.6Confident84.5Confident19 Ų1974.6 Ų74.610%0.09739%0.394CS..Hα-helixtrans-63.5-41178-68.3168000110.4L29 D30 A36 K37 M44 L48L29-I33 HydrophobicContact CD1-CD1 4.28Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.23Å; L29-I33 PolarHBondContact O-N 2.74Å; D30-I33 PolarHBondContact O-N 3.06Å; I33-A36 PolarHBondContact O-N 3.03Å; I33-K37 VanDerWaalsContact O-CB 3.29Å; I33-K37 WeakPolarHBondContact O-CB 3.41Å; I33-K37 PolarHBondContact O-N 3Å; I33-M44 HydrophobicContact CD1-CE 4.15Å; I33-M44 HydrophobicContact CG2-CE 4.38Å; I33-M44 HydrophobicContact CG2-CG 4.29Å; I33-L48 HydrophobicContact CD1-CD2 3.94Å; I33-L48 HydrophobicContact CD1-CG 4.45Å; I33-L48 HydrophobicContact CG1-CD2 4.43Å
34A90.2Very high85Confident38 Ų3873 Ų7331%0.31438%0.383SS..Hα-helixtrans-60.2-47.5175.600000111.1D30 E31 Y32 A36 K37 E38D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 3.01Å; E31-A34 PolarHBondContact O-N 3.32Å; Y32-A34 VanDerWaalsContact C-N 3.33Å; Y32-A34 PolarHBondContact O-N 2.76Å; A34-A36 PolarHBondContact O-N 3.39Å; A34-K37 PolarHBondContact O-N 3.17Å; A34-E38 VanDerWaalsContact O-CB 3.29Å; A34-E38 WeakPolarHBondContact O-CB 3.4Å; A34-E38 WeakPolarHBondContact O-CG 3.41Å; A34-E38 PolarHBondContact O-N 3.26Å
35I88.9Confident85.3Confident42 Ų4278.4 Ų78.422%0.21541%0.408CS..Hα-helixtrans-61.5-46.1177.4-67.9165.8000111.5E31 Y32 K37 K39 L62E31-I35 HydrophobicContact CG-CD1 4.17Å; E31-I35 VanDerWaalsContact O-CG1 3.3Å; E31-I35 WeakPolarHBondContact O-CG1 3.41Å; E31-I35 PolarHBondContact O-N 2.96Å; Y32-I35 PolarHBondContact O-N 3.45Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 3.05Å; I35-K39 HydrophobicContact CG2-CD 4.25Å; I35-K39 WeakPolarHBondContact O-CB 3.38Å; I35-K39 PolarHBondContact O-N 3.41Å; I35-L62 HydrophobicContact CB-CD2 4.24Å; I35-L62 HydrophobicContact CG2-CD2 3.64Å
36A87.3Confident85.3Confident0 Ų079 Ų790%040%0.404CS..Hα-helixtrans-62.6-38.8179.500000112.4Y32 I33 A34 H40 G41 Y42 A47 L65Y32-A36 WeakPolarHBondContact O-CB 3.48Å; Y32-A36 PolarHBondContact O-N 2.9Å; I33-A36 PolarHBondContact O-N 3.03Å; A34-A36 PolarHBondContact O-N 3.39Å; A36-H40 CarbonylContact O-C 3.6Å; A36-H40 WeakPolarHBondContact O-CA 3.5Å; A36-H40 WeakPolarHBondContact O-CB 3.27Å; A36-H40 PolarHBondContact O-N 3.08Å; A36-G41 PolarHBondContact O-N 2.92Å; A36-G41 VanDerWaalsContact O-N 3.16Å; A36-Y42 PolarHBondContact O-N 3.2Å; A36-A47 HydrophobicContact CB-CB 3.71Å; A36-L65 HydrophobicContact CB-CD1 3.8Å; A36-L65 HydrophobicContact CB-CD2 3.98Å
37K83.9Confident85.6Confident143 Ų14371.8 Ų71.862%0.62237%0.37SS*.Hα-helixtrans-75.3-50.5179.2-173.7-179.5177.8-172.80112.6I33 A34 I35 G41 Y42I33-K37 VanDerWaalsContact O-CB 3.29Å; I33-K37 WeakPolarHBondContact O-CB 3.41Å; I33-K37 PolarHBondContact O-N 3Å; A34-K37 PolarHBondContact O-N 3.17Å; I35-K37 VanDerWaalsContact C-N 3.32Å; I35-K37 PolarHBondContact O-N 3.05Å; K37-G41 WeakPolarHBondContact O-CA 3.45Å; K37-G41 PolarHBondContact O-N 3.24Å; K37-G41 VanDerWaalsContact O-N 3.16Å; K37-Y42 WeakPolarHBondContact CA-O 3.23Å
38E84.6Confident85.6Confident162 Ų16269.8 Ų69.876%0.75735%0.349SS*.Hα-helixtrans-78.1-37.4-171.6-67.1-179.3177.200112.8A34A34-E38 VanDerWaalsContact O-CB 3.29Å; A34-E38 WeakPolarHBondContact O-CB 3.4Å; A34-E38 WeakPolarHBondContact O-CG 3.41Å; A34-E38 PolarHBondContact O-N 3.26Å
39K82.3Confident85.7Confident158 Ų15864.9 Ų64.969%0.68733%0.334SS*.Hα-helixtrans-95-27.5-177.1-61.3-166.9-178.8176.70113.8I35I35-K39 HydrophobicContact CG2-CD 4.25Å; I35-K39 WeakPolarHBondContact O-CB 3.38Å; I35-K39 PolarHBondContact O-N 3.41Å
40H79.3Confident85.7Confident44 Ų4464.5 Ų64.520%0.20433%0.332CS..Hα-helixtrans-124.81.4-171.7-57.7-72.9000114A36 Y42 L65A36-H40 CarbonylContact O-C 3.6Å; A36-H40 WeakPolarHBondContact O-CA 3.5Å; A36-H40 WeakPolarHBondContact O-CB 3.27Å; A36-H40 PolarHBondContact O-N 3.08Å; H40-Y42 HydrophobicContact CB-CD2 3.53Å; H40-Y42 HydrophobicContact CB-CE2 3.68Å; H40-Y42 WeakPolarHBondContact O-CD2 3.37Å; H40-Y42 PolarHBondContact O-N 2.96Å; H40-L65 HydrophobicContact CB-CB 4.32Å
41G74.8Confident85.7Confident54 Ų5460.2 Ų60.256%0.55731%0.309SS*.  trans67.918.9173.800000115A36 K37A36-G41 PolarHBondContact O-N 2.92Å; A36-G41 VanDerWaalsContact O-N 3.16Å; K37-G41 WeakPolarHBondContact O-CA 3.45Å; K37-G41 PolarHBondContact O-N 3.24Å; K37-G41 VanDerWaalsContact O-N 3.16Å
42Y82.2Confident85.6Confident10 Ų1057.1 Ų57.14%0.03929%0.293CS..  trans-73.9139.9177-77.3-110.4000110.8A36 K37 H40 Q46 L65 F68 T69A36-Y42 PolarHBondContact O-N 3.2Å; K37-Y42 WeakPolarHBondContact CA-O 3.23Å; H40-Y42 HydrophobicContact CB-CD2 3.53Å; H40-Y42 HydrophobicContact CB-CE2 3.68Å; H40-Y42 WeakPolarHBondContact O-CD2 3.37Å; H40-Y42 PolarHBondContact O-N 2.96Å; Y42-Q46 HydrophobicContact CD1-CB 3.7Å; Y42-L65 HydrophobicContact CD1-CD2 4.09Å; Y42-L65 HydrophobicContact CD2-CD2 3.77Å; Y42-L65 HydrophobicContact CE1-CD2 3.9Å; Y42-L65 HydrophobicContact CE2-CB 4.25Å; Y42-L65 HydrophobicContact CE2-CD2 3.54Å; Y42-L65 HydrophobicContact CE2-CG 4.49Å; Y42-L65 WeakPolarHBondContact CE2-O 3.34Å; Y42-L65 HydrophobicContact CG-CD2 4.04Å; Y42-L65 PolarHBondContact OH-O 2.86Å; Y42-F68 WeakPolarHBondContact OH-CB 3.26Å; Y42-F68 PolarHBondContact OH-O 3.46Å; Y42-T69 PolarHBondContact OH-N 3.02Å
43N81.9Confident85.3Confident58 Ų5867 Ų6731%0.3133%0.331SS..  trans-74162.4163.878.144.2000110.6E45 Q46 A47N43-E45 VanDerWaalsContact C-N 3.29Å; N43-E45 PolarHBondContact O-N 3.44Å; N43-E45 PolarHBondContact OD1-N 3.29Å; N43-Q46 VanDerWaalsContact CG-CD 3.5Å; N43-Q46 VanDerWaalsContact CG-OE1 3.24Å; N43-Q46 WeakPolarHBondContact ND2-CG 3.46Å; N43-Q46 PolarHBondContact ND2-OE1 2.98Å; N43-Q46 PolarHBondContact O-N 3.49Å; N43-Q46 WeakPolarHBondContact OD1-CG 3.43Å; N43-Q46 PolarHBondContact OD1-N 2.73Å; N43-A47 PolarHBondContact O-N 3.29Å
44M81.7Confident85.3Confident116 Ų11667.7 Ų67.757%0.57133%0.334SS*.Hα-helixtrans-58.1-40.3-174.1-170.6178.7-13500112.6I33 A47 L48I33-M44 HydrophobicContact CD1-CE 4.15Å; I33-M44 HydrophobicContact CG2-CE 4.38Å; I33-M44 HydrophobicContact CG2-CG 4.29Å; M44-A47 PolarHBondContact O-N 3.18Å; M44-L48 HydrophobicContact CG-CD1 4.3Å; M44-L48 WeakPolarHBondContact O-CB 3.46Å; M44-L48 VanDerWaalsContact O-CG 3.25Å; M44-L48 WeakPolarHBondContact O-CG 3.32Å; M44-L48 PolarHBondContact O-N 2.91Å
45E83.9Confident85.1Confident147 Ų14774.6 Ų74.669%0.68736%0.356SS*.Hα-helixtrans-70.4-37.4-179.8-62.5-173.5162.700112.2N43 G49N43-E45 VanDerWaalsContact C-N 3.29Å; N43-E45 PolarHBondContact O-N 3.44Å; N43-E45 PolarHBondContact OD1-N 3.29Å; E45-G49 PolarHBondContact O-N 3.32Å
46Q84.6Confident85.1Confident73 Ų7373.7 Ų73.734%0.34135%0.351SS..Hα-helixtrans-66.8-41.9174.6-67.3167.7-35.900111.1Y42 N43 G49 M50Y42-Q46 HydrophobicContact CD1-CB 3.7Å; N43-Q46 VanDerWaalsContact CG-CD 3.5Å; N43-Q46 VanDerWaalsContact CG-OE1 3.24Å; N43-Q46 WeakPolarHBondContact ND2-CG 3.46Å; N43-Q46 PolarHBondContact ND2-OE1 2.98Å; N43-Q46 PolarHBondContact O-N 3.49Å; N43-Q46 WeakPolarHBondContact OD1-CG 3.43Å; N43-Q46 PolarHBondContact OD1-N 2.73Å; Q46-G49 PolarHBondContact O-N 3.11Å; Q46-M50 WeakPolarHBondContact O-CB 3.36Å; Q46-M50 PolarHBondContact O-N 3.45Å
47A87.6Confident85.1Confident1 Ų176.5 Ų76.51%0.00837%0.366CS..Hα-helixtrans-61.8-45.7176.700000111.2Y32 A36 N43 M44 M50 L51Y32-A47 HydrophobicContact CE1-CB 4.24Å; Y32-A47 WeakPolarHBondContact CE1-O 3.25Å; Y32-A47 PolarHBondContact OH-O 3.09Å; Y32-A47 VanDerWaalsContact OH-O 3.1Å; A36-A47 HydrophobicContact CB-CB 3.71Å; N43-A47 PolarHBondContact O-N 3.29Å; M44-A47 PolarHBondContact O-N 3.18Å; A47-M50 PolarHBondContact O-N 3.5Å; A47-L51 WeakPolarHBondContact O-CB 3.2Å; A47-L51 PolarHBondContact O-N 3Å
48L88.4Confident85.3Confident29 Ų2971.6 Ų71.615%0.15235%0.346CS..Hα-helixtrans-64.6-42.1174.8-70176000111.8W18 L29 I33 M44 M50 L51 F52W18-L48 HydrophobicContact CB-CB 4.37Å; W18-L48 HydrophobicContact CD2-CB 4.04Å; W18-L48 HydrophobicContact CD2-CD2 3.9Å; W18-L48 HydrophobicContact CD2-CG 4.38Å; W18-L48 HydrophobicContact CE3-CB 3.82Å; W18-L48 HydrophobicContact CE3-CD2 3.87Å; W18-L48 HydrophobicContact CE3-CG 4.41Å; W18-L48 VanDerWaalsContact CE3-O 3.26Å; W18-L48 HydrophobicContact CG-CB 4.28Å; W18-L48 HydrophobicContact CG-CD1 4.46Å; W18-L48 HydrophobicContact CH2-CD2 3.82Å; W18-L48 HydrophobicContact CZ2-CD2 3.85Å; W18-L48 HydrophobicContact CZ3-CB 4.43Å; W18-L48 HydrophobicContact CZ3-CD2 3.84Å; L29-L48 HydrophobicContact CD1-CD2 3.98Å; I33-L48 HydrophobicContact CD1-CD2 3.94Å; I33-L48 HydrophobicContact CD1-CG 4.45Å; I33-L48 HydrophobicContact CG1-CD2 4.43Å; M44-L48 HydrophobicContact CG-CD1 4.3Å; M44-L48 WeakPolarHBondContact O-CB 3.46Å; M44-L48 VanDerWaalsContact O-CG 3.25Å; M44-L48 WeakPolarHBondContact O-CG 3.32Å; M44-L48 PolarHBondContact O-N 2.91Å; L48-M50 PolarHBondContact O-N 3.04Å; L48-L51 PolarHBondContact O-N 3.43Å; L48-F52 WeakPolarHBondContact O-CB 3.15Å; L48-F52 PolarHBondContact O-N 3.28Å
49G87.7Confident85.4Confident21 Ų2171.4 Ų71.422%0.21635%0.346CS..Hα-helixtrans-57.1-46.9174.300000112.9V17 E45 Q46 F52 W53V17-G49 VanDerWaalsContact O-CA 3.27Å; V17-G49 WeakPolarHBondContact O-CA 3.42Å; E45-G49 PolarHBondContact O-N 3.32Å; Q46-G49 PolarHBondContact O-N 3.11Å; G49-F52 PolarHBondContact O-N 3.38Å; G49-W53 PolarHBondContact O-N 3.23Å
50M87.7Confident85.7Confident23 Ų2370.1 Ų70.111%0.11334%0.34CS..Hα-helixtrans-62.8-45.3176.5-16565.6178.100111Q46 A47 L48 F52 W53 H54 D64 L65 F68Q46-M50 WeakPolarHBondContact O-CB 3.36Å; Q46-M50 PolarHBondContact O-N 3.45Å; A47-M50 PolarHBondContact O-N 3.5Å; L48-M50 PolarHBondContact O-N 3.04Å; M50-F52 VanDerWaalsContact C-N 3.33Å; M50-F52 PolarHBondContact O-N 2.88Å; M50-W53 VanDerWaalsContact O-CB 3.32Å; M50-W53 WeakPolarHBondContact O-CB 3.18Å; M50-W53 PolarHBondContact O-N 2.95Å; M50-H54 WeakPolarHBondContact CE-NE2 3.22Å; M50-H54 PolarHBondContact O-CD2 3.25Å; M50-H54 PolarHBondContact O-N 3.14Å; M50-D64 HydrophobicContact CE-CB 3.43Å; M50-D64 VanDerWaalsContact CE-CB 3.43Å; M50-L65 HydrophobicContact CG-CD2 4.33Å; M50-F68 HydrophobicContact CE-CB 4.29Å; M50-F68 HydrophobicContact CE-CD2 3.44Å; M50-F68 VanDerWaalsContact CE-CD2 3.44Å; M50-F68 HydrophobicContact CE-CE2 4.09Å; M50-F68 HydrophobicContact CE-CG 4.14Å
51L89.9Confident86.1Confident0 Ų068 Ų680%033%0.33CS..Hα-helixtrans-65-38.3178.5-17560.7000112.3W18 L24 L29 Y32 A47 L48 H54 K55 H56 I58 S61W18-L51 HydrophobicContact CH2-CD2 3.82Å; W18-L51 HydrophobicContact CH2-CG 4.41Å; W18-L51 HydrophobicContact CZ3-CB 4.07Å; W18-L51 HydrophobicContact CZ3-CD2 3.84Å; W18-L51 HydrophobicContact CZ3-CG 4Å; L24-L51 HydrophobicContact CD1-CD2 4.46Å; L29-L51 HydrophobicContact CD1-CD2 3.34Å; Y32-L51 HydrophobicContact CD1-CB 4.4Å; Y32-L51 HydrophobicContact CD1-CD2 3.81Å; Y32-L51 HydrophobicContact CD1-CG 4.5Å; Y32-L51 HydrophobicContact CE1-CB 3.66Å; Y32-L51 HydrophobicContact CE1-CD1 4.38Å; Y32-L51 HydrophobicContact CE1-CD2 3.92Å; Y32-L51 HydrophobicContact CE1-CG 4.2Å; Y32-L51 HydrophobicContact CG-CD2 4.47Å; A47-L51 WeakPolarHBondContact O-CB 3.2Å; A47-L51 PolarHBondContact O-N 3Å; L48-L51 PolarHBondContact O-N 3.43Å; L51-H54 CarbonylContact O-C 3.54Å; L51-H54 PolarHBondContact O-N 2.99Å; L51-K55 PolarHBondContact O-N 3.32Å; L51-H56 WeakPolarHBondContact O-CA 3.25Å; L51-H56 PolarHBondContact O-N 3.32Å; L51-I58 HydrophobicContact CD1-CG1 4.08Å; L51-S61 WeakPolarHBondContact CA-OG 3.4Å; L51-S61 PolarHBondContact N-OG 2.79Å
52F88.7Confident86.7Confident59 Ų5967.9 Ų67.926%0.25932%0.317SS..Hα-helixtrans-64.6-40.6175.1-176.4-117.9000111.9L16 V17 W18 S19 L48 G49 M50 H54 K55 H56L16-F52 HydrophobicContact CD2-CE1 4.24Å; L16-F52 HydrophobicContact CD2-CZ 3.84Å; L16-F52 HydrophobicContact CG-CE1 4.16Å; L16-F52 HydrophobicContact CG-CZ 4.18Å; L16-F52 WeakPolarHBondContact O-CE1 3.5Å; V17-F52 WeakPolarHBondContact O-CB 3.45Å; W18-F52 HydrophobicContact CE3-CB 3.97Å; S19-F52 VanDerWaalsContact OG-CE2 3.22Å; S19-F52 WeakPolarHBondContact OG-CE2 3.33Å; L48-F52 WeakPolarHBondContact O-CB 3.15Å; L48-F52 PolarHBondContact O-N 3.28Å; G49-F52 PolarHBondContact O-N 3.38Å; M50-F52 VanDerWaalsContact C-N 3.33Å; M50-F52 PolarHBondContact O-N 2.88Å; F52-H54 VanDerWaalsContact C-N 3.27Å; F52-H54 PolarHBondContact O-N 3.19Å; F52-K55 WeakPolarHBondContact O-CA 3.34Å; F52-K55 PolarHBondContact O-N 3.45Å; F52-H56 AromaticContact CD2-CE1 3.68Å
53W86.6Confident87Confident211 Ų21170.5 Ų70.580%0.79934%0.34SS*.Hα-helixtrans-57-40.9174.8-172.6-86.7000112.1G49 M50 K55G49-W53 PolarHBondContact O-N 3.23Å; M50-W53 VanDerWaalsContact O-CB 3.32Å; M50-W53 WeakPolarHBondContact O-CB 3.18Å; M50-W53 PolarHBondContact O-N 2.95Å; W53-K55 PolarHBondContact O-N 2.88Å
54H88.3Confident87.1Confident33 Ų3370.1 Ų70.115%0.15334%0.338CS..THydrogen-bonded Turntrans-82.116.2175.2-67.9-73.6000114.3M50 L51 F52 H56 N57 K60 S61 D64M50-H54 WeakPolarHBondContact CE-NE2 3.22Å; M50-H54 PolarHBondContact O-CD2 3.25Å; M50-H54 PolarHBondContact O-N 3.14Å; L51-H54 CarbonylContact O-C 3.54Å; L51-H54 PolarHBondContact O-N 2.99Å; F52-H54 VanDerWaalsContact C-N 3.27Å; F52-H54 PolarHBondContact O-N 3.19Å; H54-H56 PolarHBondContact O-N 3.07Å; H54-N57 VanDerWaalsContact O-CB 3.29Å; H54-N57 WeakPolarHBondContact O-CB 3.25Å; H54-N57 PolarHBondContact O-N 3.26Å; H54-N57 VanDerWaalsContact O-N 3.11Å; H54-K60 HydrophobicContact CB-CB 4.35Å; H54-S61 VanDerWaalsContact CD2-CA 3.47Å; H54-S61 WeakPolarHBondContact CD2-CA 3.39Å; H54-D64 IonicContact CE1-OD2 3.17Å; H54-D64 PolarHBondContact CE1-OD2 3.05Å; H54-D64 IonicContact NE2-OD2 2.9Å
55K86.8Confident87.2Confident182 Ų18264.6 Ų64.679%0.79131%0.311SS*.THydrogen-bonded Turntrans54.640.8-179.4-54.4179.3-179.2175.20112.4L51 F52 W53 N57L51-K55 PolarHBondContact O-N 3.32Å; F52-K55 WeakPolarHBondContact O-CA 3.34Å; F52-K55 PolarHBondContact O-N 3.45Å; W53-K55 PolarHBondContact O-N 2.88Å; K55-N57 VanDerWaalsContact C-N 3.26Å; K55-N57 PolarHBondContact O-N 3.39Å
56H88.5Confident86.9Confident24 Ų2461 Ų6111%0.11130%0.3CS..THydrogen-bonded Turntrans65.621.8-178.7-51.587.2000114.8W18 S19 N21 L24 L51 F52 H54 I58W18-H56 AromaticContact CH2-CD2 3.42Å; W18-H56 VanDerWaalsContact CH2-CD2 3.42Å; W18-H56 WeakPolarHBondContact CH2-CD2 3.42Å; W18-H56 AromaticContact CH2-NE2 3.65Å; W18-H56 AromaticContact CZ3-CD2 3.52Å; W18-H56 AromaticContact CZ3-NE2 3.55Å; S19-H56 PolarHBondContact O-CE1 3.47Å; S19-H56 VanDerWaalsContact O-CE1 3.29Å; S19-H56 PolarHBondContact O-NE2 2.95Å; N21-H56 HydrophobicContact CB-CB 4.16Å; N21-H56 WeakPolarHBondContact ND2-CB 3.48Å; N21-H56 VanDerWaalsContact ND2-CG 3.32Å; N21-H56 PolarHBondContact ND2-ND1 3.25Å; N21-H56 VanDerWaalsContact ND2-ND1 3.18Å; L24-H56 HydrophobicContact CD1-CB 3.92Å; L24-H56 VanDerWaalsContact CD1-O 3.24Å; L24-H56 WeakPolarHBondContact CD1-O 3.47Å; L51-H56 WeakPolarHBondContact O-CA 3.25Å; L51-H56 PolarHBondContact O-N 3.32Å; F52-H56 AromaticContact CD2-CE1 3.68Å; H54-H56 PolarHBondContact O-N 3.07Å; H56-I58 PolarHBondContact O-N 3.5Å
57N87.6Confident86.5Confident59 Ų5962.9 Ų62.932%0.31631%0.313SS..  trans-85.7106.6171.3-172.7-55.1000110.2H54 K55 E59 K60 S61H54-N57 VanDerWaalsContact O-CB 3.29Å; H54-N57 WeakPolarHBondContact O-CB 3.25Å; H54-N57 PolarHBondContact O-N 3.26Å; H54-N57 VanDerWaalsContact O-N 3.11Å; K55-N57 VanDerWaalsContact C-N 3.26Å; K55-N57 PolarHBondContact O-N 3.39Å; N57-E59 PolarHBondContact OD1-N 3.14Å; N57-K60 HydrophobicContact CB-CB 4.26Å; N57-K60 HydrophobicContact CB-CD 4.33Å; N57-K60 HydrophobicContact CB-CG 4.44Å; N57-K60 WeakPolarHBondContact OD1-CG 3.46Å; N57-K60 PolarHBondContact OD1-N 3.34Å; N57-S61 WeakPolarHBondContact O-CB 3.23Å; N57-S61 PolarHBondContact O-N 3.48Å; N57-S61 VanDerWaalsContact O-N 3.12Å
58I88.1Confident85.7Confident39 Ų3969.1 Ų69.120%0.234%0.34CS..Hα-helixtrans-61.3-47.5-176.8-65.7175.9000111.5L24 K28 Y32 L51 H56 K60 S61 L62L24-I58 HydrophobicContact CD1-CD1 4.03Å; L24-I58 HydrophobicContact CD1-CG1 3.97Å; L24-I58 HydrophobicContact CD2-CD1 4.31Å; L24-I58 HydrophobicContact CG-CD1 4.26Å; K28-I58 HydrophobicContact CB-CD1 3.88Å; Y32-I58 HydrophobicContact CD2-CG2 3.95Å; Y32-I58 HydrophobicContact CG-CG2 4.46Å; L51-I58 HydrophobicContact CD1-CG1 4.08Å; H56-I58 PolarHBondContact O-N 3.5Å; I58-K60 PolarHBondContact O-N 3.31Å; I58-S61 PolarHBondContact O-N 3.13Å; I58-L62 HydrophobicContact CG2-CD1 3.71Å; I58-L62 HydrophobicContact CG2-CG 4.08Å; I58-L62 WeakPolarHBondContact O-CB 3.45Å; I58-L62 VanDerWaalsContact O-CG 3.32Å; I58-L62 WeakPolarHBondContact O-CG 3.25Å; I58-L62 PolarHBondContact O-N 2.84Å
59E87.3Confident84.3Confident159 Ų15971 Ų7174%0.74335%0.352SS*.Hα-helixtrans-62.8-44.4-174.9-66.6174.6-175.400112.2N57 S61 L62 A63N57-E59 PolarHBondContact OD1-N 3.14Å; E59-S61 VanDerWaalsContact C-N 3.34Å; E59-L62 PolarHBondContact O-N 3.46Å; E59-A63 PolarHBondContact O-N 3.35Å
60K87.1Confident82.8Confident130 Ų13071.9 Ų71.957%0.56536%0.355SS*.Hα-helixtrans-64.9-40.8176.4-69.8-176.9179.7-174.80111.7H54 N57 I58 A63 D64H54-K60 HydrophobicContact CB-CB 4.35Å; N57-K60 HydrophobicContact CB-CB 4.26Å; N57-K60 HydrophobicContact CB-CD 4.33Å; N57-K60 HydrophobicContact CB-CG 4.44Å; N57-K60 WeakPolarHBondContact OD1-CG 3.46Å; N57-K60 PolarHBondContact OD1-N 3.34Å; I58-K60 PolarHBondContact O-N 3.31Å; K60-A63 PolarHBondContact O-N 2.91Å; K60-D64 PolarHBondContact O-N 2.84Å
61S89.6Confident80.8Confident0 Ų080.6 Ų80.60%039%0.392CS..Hα-helixtrans-64.7-44.6177.7-156.80000111.7Y32 L51 H54 N57 I58 E59 A63 D64 L65Y32-S61 PolarHBondContact OH-OG 2.71Å; L51-S61 WeakPolarHBondContact CA-OG 3.4Å; L51-S61 PolarHBondContact N-OG 2.79Å; H54-S61 VanDerWaalsContact CD2-CA 3.47Å; H54-S61 WeakPolarHBondContact CD2-CA 3.39Å; N57-S61 WeakPolarHBondContact O-CB 3.23Å; N57-S61 PolarHBondContact O-N 3.48Å; N57-S61 VanDerWaalsContact O-N 3.12Å; I58-S61 PolarHBondContact O-N 3.13Å; E59-S61 VanDerWaalsContact C-N 3.34Å; S61-A63 VanDerWaalsContact C-N 3.35Å; S61-A63 PolarHBondContact O-N 2.83Å; S61-D64 PolarHBondContact O-N 2.9Å; S61-L65 WeakPolarHBondContact O-CG 3.4Å; S61-L65 PolarHBondContact O-N 3.27Å
62L87.1Confident79.2Confident52 Ų5285 Ų8527%0.27242%0.421SS..Hα-helixtrans-62.1-39177.1-74177.1000112.7Y32 I35 I58 E59 D64 L65 P66Y32-L62 HydrophobicContact CD2-CD2 3.58Å; Y32-L62 HydrophobicContact CD2-CG 3.83Å; Y32-L62 HydrophobicContact CE2-CD2 3.8Å; Y32-L62 HydrophobicContact CE2-CG 4.05Å; I35-L62 HydrophobicContact CB-CD2 4.24Å; I35-L62 HydrophobicContact CG2-CD2 3.64Å; I58-L62 HydrophobicContact CG2-CD1 3.71Å; I58-L62 HydrophobicContact CG2-CG 4.08Å; I58-L62 WeakPolarHBondContact O-CB 3.45Å; I58-L62 VanDerWaalsContact O-CG 3.32Å; I58-L62 WeakPolarHBondContact O-CG 3.25Å; I58-L62 PolarHBondContact O-N 2.84Å; E59-L62 PolarHBondContact O-N 3.46Å; L62-D64 PolarHBondContact O-N 3.24Å; L62-L65 HydrophobicContact CD2-CD1 3.63Å; L62-L65 PolarHBondContact O-N 3.38Å; L62-P66 WeakPolarHBondContact O-CD 3.28Å
63A87.3Confident77.7Confident65 Ų6588.3 Ų88.354%0.53744%0.441SS..Hα-helixtrans-64.3-29.617800000112.8E59 K60 S61E59-A63 PolarHBondContact O-N 3.35Å; K60-A63 PolarHBondContact O-N 2.91Å; S61-A63 VanDerWaalsContact C-N 3.35Å; S61-A63 PolarHBondContact O-N 2.83Å
64D84.3Confident77Confident50 Ų5084.2 Ų84.227%0.26743%0.431SS..Hα-helixtrans-97.4-10-178.3-81-28.1000114.3M50 H54 K60 S61 L62 P66 N67 F68M50-D64 HydrophobicContact CE-CB 3.43Å; M50-D64 VanDerWaalsContact CE-CB 3.43Å; H54-D64 IonicContact CE1-OD2 3.17Å; H54-D64 PolarHBondContact CE1-OD2 3.05Å; H54-D64 IonicContact NE2-OD2 2.9Å; K60-D64 PolarHBondContact O-N 2.84Å; S61-D64 PolarHBondContact O-N 2.9Å; L62-D64 PolarHBondContact O-N 3.24Å; D64-P66 VanDerWaalsContact C-CD 3.45Å; D64-N67 WeakPolarHBondContact O-CB 3.46Å; D64-N67 PolarHBondContact O-N 3.2Å; D64-N67 PolarHBondContact OD1-ND2 3.45Å; D64-F68 HydrophobicContact CB-CD2 4.13Å; D64-F68 HydrophobicContact CB-CE2 4.24Å; D64-F68 WeakPolarHBondContact O-CD2 3.3Å; D64-F68 PolarHBondContact O-N 2.86Å
65L83.1Confident76.6Confident0 Ų084.5 Ų84.50%043%0.431CS..THydrogen-bonded Turntrans-53.6-42.1173.6-76.4173.8000113.9Y32 A36 H40 Y42 M50 S61 L62 N67 T69Y32-L65 HydrophobicContact CE2-CD1 4.22Å; A36-L65 HydrophobicContact CB-CD1 3.8Å; A36-L65 HydrophobicContact CB-CD2 3.98Å; H40-L65 HydrophobicContact CB-CB 4.32Å; Y42-L65 HydrophobicContact CD1-CD2 4.09Å; Y42-L65 HydrophobicContact CD2-CD2 3.77Å; Y42-L65 HydrophobicContact CE1-CD2 3.9Å; Y42-L65 HydrophobicContact CE2-CB 4.25Å; Y42-L65 HydrophobicContact CE2-CD2 3.54Å; Y42-L65 HydrophobicContact CE2-CG 4.49Å; Y42-L65 WeakPolarHBondContact CE2-O 3.34Å; Y42-L65 HydrophobicContact CG-CD2 4.04Å; Y42-L65 PolarHBondContact OH-O 2.86Å; M50-L65 HydrophobicContact CG-CD2 4.33Å; S61-L65 WeakPolarHBondContact O-CG 3.4Å; S61-L65 PolarHBondContact O-N 3.27Å; L62-L65 HydrophobicContact CD2-CD1 3.63Å; L62-L65 PolarHBondContact O-N 3.38Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.09Å; L65-T69 PolarHBondContact O-N 2.9Å; L65-T69 PolarHBondContact O-OG1 3.33Å
66P78.8Confident76.4Confident70 Ų7078.7 Ų78.746%0.45541%0.411SS..THydrogen-bonded Turntrans-67.1-28.6175.3-16.329.1000113.2L62 D64 T69L62-P66 WeakPolarHBondContact O-CD 3.28Å; D64-P66 VanDerWaalsContact C-CD 3.45Å; P66-T69 WeakPolarHBondContact CA-OG1 3.37Å; P66-T69 PolarHBondContact O-OG1 2.97Å
67N75.3Confident76Confident114 Ų11482.3 Ų82.361%0.6143%0.434SS*.THydrogen-bonded Turntrans-78.9-26.6-174.7-65.1-31.7000112.5D64 L65D64-N67 WeakPolarHBondContact O-CB 3.46Å; D64-N67 PolarHBondContact O-N 3.2Å; D64-N67 PolarHBondContact OD1-ND2 3.45Å; L65-N67 VanDerWaalsContact C-N 3.28Å; L65-N67 PolarHBondContact O-N 3.09Å
68F70.8Confident75.7Confident132 Ų13285.6 Ų85.658%0.57945%0.447SS*.THydrogen-bonded Turntrans-11518-178.1-67.2-79.3000113Y42 M50 D64 P70Y42-F68 WeakPolarHBondContact OH-CB 3.26Å; Y42-F68 PolarHBondContact OH-O 3.46Å; M50-F68 HydrophobicContact CE-CB 4.29Å; M50-F68 HydrophobicContact CE-CD2 3.44Å; M50-F68 VanDerWaalsContact CE-CD2 3.44Å; M50-F68 HydrophobicContact CE-CE2 4.09Å; M50-F68 HydrophobicContact CE-CG 4.14Å; D64-F68 HydrophobicContact CB-CD2 4.13Å; D64-F68 HydrophobicContact CB-CE2 4.24Å; D64-F68 WeakPolarHBondContact O-CD2 3.3Å; D64-F68 PolarHBondContact O-N 2.86Å; F68-P70 WeakPolarHBondContact O-CD 3.42Å
69T60.3Low75.7Confident67 Ų6785 Ų8541%0.41144%0.444SS..  trans-53.8106.9-179-57.60000108.6Y42 L65 P66 F71Y42-T69 PolarHBondContact OH-N 3.02Å; L65-T69 PolarHBondContact O-N 2.9Å; L65-T69 PolarHBondContact O-OG1 3.33Å; P66-T69 WeakPolarHBondContact CA-OG1 3.37Å; P66-T69 PolarHBondContact O-OG1 2.97Å; T69-F71 PolarHBondContact O-N 3.39Å
70P55.2Low75.8Confident41 Ų4181.4 Ų81.427%0.26643%0.427SS..  trans-65.7135.4-175.725-29.8000108F68 P72F68-P70 WeakPolarHBondContact O-CD 3.42Å; P70-P72 VanDerWaalsContact O-CD 3.32Å; P70-P72 WeakPolarHBondContact O-CD 3.46Å; P70-P72 VanDerWaalsContact O-N 3.09Å
71F47Very low75.9Confident206 Ų20679.6 Ų79.690%0.90443%0.426SS*.  trans-54.6120167.1-105.9-93.3000107.5T69 D73T69-F71 PolarHBondContact O-N 3.39Å; F71-D73 PolarHBondContact O-N 3.32Å
72P54.5Low76Confident93 Ų9383 Ų8360%0.60444%0.444SS*.  trans-68.5105.8-172.623.1-29.6000108.9P70 E74P70-P72 VanDerWaalsContact O-CD 3.32Å; P70-P72 WeakPolarHBondContact O-CD 3.46Å; P70-P72 VanDerWaalsContact O-N 3.09Å; P72-E74 PolarHBondContact O-N 2.96Å
73D58.3Low76.3Confident127 Ų12780.6 Ų80.668%0.67943%0.431SS*.  trans-72.714.3167.2-147.521.8000111F71F71-D73 PolarHBondContact O-N 3.32Å
74E71.3Confident76.5Confident125 Ų12580.8 Ų80.858%0.58442%0.421SS*.  trans-85.5133.1179.4-67-168.2172.200110.8P72 T76 K104P72-E74 PolarHBondContact O-N 2.96Å; E74-T76 PolarHBondContact O-N 3.49Å; E74-K104 PolarHBondContact O-NZ 3.11Å
75W80.3Confident76.8Confident40 Ų4083 Ų8315%0.15243%0.43CS..  trans-85.3106170.9-80.878.4000108.7D79 K80 F83 L101 K104 S108 L109 F112W75-D79 HydrophobicContact CE3-CB 3.66Å; W75-D79 HydrophobicContact CZ3-CB 4.11Å; W75-K80 HydrophobicContact CB-CG 4.33Å; W75-K80 HydrophobicContact CE3-CG 4.38Å; W75-K80 VanDerWaalsContact O-CE 3.24Å; W75-K80 WeakPolarHBondContact O-CE 3.5Å; W75-K80 PolarHBondContact O-NZ 3.29Å; W75-F83 HydrophobicContact CH2-CB 4.33Å; W75-F83 AromaticContact CH2-CD2 3.84Å; W75-F83 HydrophobicContact CH2-CD2 3.84Å; W75-F83 HydrophobicContact CH2-CG 4.26Å; W75-F83 HydrophobicContact CZ3-CB 3.81Å; W75-F83 HydrophobicContact CZ3-CD2 4.19Å; W75-F83 HydrophobicContact CZ3-CG 4.17Å; W75-L101 HydrophobicContact CH2-CD1 4.37Å; W75-L101 HydrophobicContact CZ3-CD1 4.22Å; W75-K104 HydrophobicContact CH2-CG 4.29Å; W75-K104 HydrophobicContact CZ2-CG 4.3Å; W75-S108 PolarHBondContact NE1-OG 3.32Å; W75-L109 HydrophobicContact CH2-CD2 3.59Å; W75-L109 HydrophobicContact CZ2-CD2 4.09Å; W75-F112 HydrophobicContact CB-CD2 4.43Å; W75-F112 HydrophobicContact CB-CE2 4.38Å; W75-F112 HydrophobicContact CD2-CB 4.13Å; W75-F112 HydrophobicContact CD2-CD1 4.31Å; W75-F112 AromaticContact CD2-CD2 3.46Å; W75-F112 HydrophobicContact CD2-CD2 3.46Å; W75-F112 VanDerWaalsContact CD2-CD2 3.46Å; W75-F112 AromaticContact CD2-CE2 3.96Å; W75-F112 HydrophobicContact CD2-CE2 3.96Å; W75-F112 AromaticContact CD2-CG 3.69Å; W75-F112 HydrophobicContact CD2-CG 3.69Å; W75-F112 VanDerWaalsContact CE2-CB 3.43Å; W75-F112 AromaticContact CE2-CD2 3.68Å; W75-F112 AromaticContact CE2-CG 3.54Å; W75-F112 HydrophobicContact CE3-CD1 4Å; W75-F112 AromaticContact CE3-CD2 3.85Å; W75-F112 HydrophobicContact CE3-CD2 3.85Å; W75-F112 HydrophobicContact CE3-CE1 4.17Å; W75-F112 HydrophobicContact CE3-CE2 4.02Å; W75-F112 AromaticContact CE3-CG 3.86Å; W75-F112 HydrophobicContact CE3-CG 3.86Å; W75-F112 HydrophobicContact CE3-CZ 4.2Å; W75-F112 AromaticContact CG-CD2 3.74Å; W75-F112 HydrophobicContact CG-CD2 3.74Å; W75-F112 HydrophobicContact CG-CE2 4.13Å; W75-F112 HydrophobicContact CG-CG 4.4Å; W75-F112 HydrophobicContact CH2-CB 3.75Å; W75-F112 AromaticContact CH2-CD1 3.69Å; W75-F112 HydrophobicContact CH2-CD1 3.69Å; W75-F112 HydrophobicContact CH2-CD2 4.46Å; W75-F112 HydrophobicContact CH2-CE1 4.48Å; W75-F112 AromaticContact CH2-CG 3.7Å; W75-F112 HydrophobicContact CH2-CG 3.7Å; W75-F112 HydrophobicContact CZ2-CB 3.22Å; W75-F112 HydrophobicContact CZ2-CD1 4.06Å; W75-F112 HydrophobicContact CZ2-CD2 4.19Å; W75-F112 AromaticContact CZ2-CG 3.56Å; W75-F112 HydrophobicContact CZ2-CG 3.56Å; W75-F112 HydrophobicContact CZ3-CB 4.42Å; W75-F112 AromaticContact CZ3-CD1 3.7Å; W75-F112 HydrophobicContact CZ3-CD1 3.7Å; W75-F112 HydrophobicContact CZ3-CD2 4.33Å; W75-F112 HydrophobicContact CZ3-CE1 4.05Å; W75-F112 AromaticContact CZ3-CG 3.88Å; W75-F112 HydrophobicContact CZ3-CG 3.88Å
76T83.3Confident77.2Confident60 Ų6083.2 Ų83.237%0.36843%0.431SS..  trans-66.5169.1175.868.20000110.8E74 E78 D79 K80E74-T76 PolarHBondContact O-N 3.49Å; T76-E78 VanDerWaalsContact CB-OE2 3.29Å; T76-E78 WeakPolarHBondContact CB-OE2 3.23Å; T76-E78 PolarHBondContact O-N 2.99Å; T76-E78 PolarHBondContact OG1-OE2 3.33Å; T76-D79 PolarHBondContact N-OD2 3.05Å; T76-D79 VanDerWaalsContact N-OD2 3.15Å; T76-D79 PolarHBondContact O-N 3.04Å; T76-D79 WeakPolarHBondContact OG1-CB 3.37Å; T76-D79 PolarHBondContact OG1-N 3.22Å; T76-D79 PolarHBondContact OG1-OD1 3.05Å; T76-D79 PolarHBondContact OG1-OD2 2.95Å; T76-D79 VanDerWaalsContact OG1-OD2 3.14Å; T76-K80 VanDerWaalsContact O-CG 3.24Å; T76-K80 WeakPolarHBondContact O-CG 3.32Å; T76-K80 PolarHBondContact O-N 3.42Å
77V78.6Confident77.9Confident100 Ų10081.6 Ų81.661%0.60642%0.417SS*.Hα-helixtrans-66.4-37176.5-179.60000109.7K80 V81V77-K80 PolarHBondContact O-N 2.98Å; V77-V81 WeakPolarHBondContact O-CG2 3.44Å; V77-V81 PolarHBondContact O-N 3.33Å
78E81.9Confident78.6Confident127 Ų12779.8 Ų79.859%0.59341%0.414SS*.Hα-helixtrans-61.3-47175.5-6171.3-155.300111T76 K80 V81 L82T76-E78 VanDerWaalsContact CB-OE2 3.29Å; T76-E78 WeakPolarHBondContact CB-OE2 3.23Å; T76-E78 PolarHBondContact O-N 2.99Å; T76-E78 PolarHBondContact OG1-OE2 3.33Å; E78-K80 VanDerWaalsContact C-N 3.29Å; E78-K80 PolarHBondContact O-N 3.48Å; E78-V81 PolarHBondContact O-N 3.39Å; E78-L82 WeakPolarHBondContact O-CB 3.4Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.17Å
79D89.5Confident79.5Confident26 Ų2680.5 Ų80.514%0.13942%0.417CS..Hα-helixtrans-60-40177.1-69.5-28.1000111.7W75 T76 F83 L101 K104W75-D79 HydrophobicContact CE3-CB 3.66Å; W75-D79 HydrophobicContact CZ3-CB 4.11Å; T76-D79 PolarHBondContact N-OD2 3.05Å; T76-D79 VanDerWaalsContact N-OD2 3.15Å; T76-D79 PolarHBondContact O-N 3.04Å; T76-D79 WeakPolarHBondContact OG1-CB 3.37Å; T76-D79 PolarHBondContact OG1-N 3.22Å; T76-D79 PolarHBondContact OG1-OD1 3.05Å; T76-D79 PolarHBondContact OG1-OD2 2.95Å; T76-D79 VanDerWaalsContact OG1-OD2 3.14Å; D79-F83 VanDerWaalsContact O-CB 3.28Å; D79-F83 WeakPolarHBondContact O-CB 3.12Å; D79-F83 PolarHBondContact O-N 3.49Å; D79-L101 HydrophobicContact CB-CD2 4.47Å; D79-K104 VanDerWaalsContact CG-CE 3.42Å; D79-K104 WeakPolarHBondContact OD2-CE 3.34Å; D79-K104 IonicContact OD2-NZ 3.96Å; D79-K104 PolarHBondContact OD2-NZ 3.28Å
80K88.3Confident80.9Confident85 Ų8580 Ų8037%0.3741%0.41SS..Hα-helixtrans-66.5-44.5179.3-67170.6-174.9159.90110.8W75 T76 V77 E78 F83 E84 F112W75-K80 HydrophobicContact CB-CG 4.33Å; W75-K80 HydrophobicContact CE3-CG 4.38Å; W75-K80 VanDerWaalsContact O-CE 3.24Å; W75-K80 WeakPolarHBondContact O-CE 3.5Å; W75-K80 PolarHBondContact O-NZ 3.29Å; T76-K80 VanDerWaalsContact O-CG 3.24Å; T76-K80 WeakPolarHBondContact O-CG 3.32Å; T76-K80 PolarHBondContact O-N 3.42Å; V77-K80 PolarHBondContact O-N 2.98Å; E78-K80 VanDerWaalsContact C-N 3.29Å; E78-K80 PolarHBondContact O-N 3.48Å; K80-F83 PolarHBondContact O-N 2.91Å; K80-E84 WeakPolarHBondContact O-CG 3.37Å; K80-E84 PolarHBondContact O-N 3.04Å; K80-F112 HydrophobicContact CB-CZ 4.18Å; K80-F112 HydrophobicContact CD-CE2 4.46Å; K80-F112 HydrophobicContact CD-CZ 4.42Å; K80-F112 HydrophobicContact CG-CE2 3.9Å; K80-F112 HydrophobicContact CG-CZ 3.62Å
81V89.5Confident82.5Confident91 Ų9179.4 Ų79.455%0.55241%0.411SS*.Hα-helixtrans-65.2-44.9177.51740000110.8V77 E78 F83 E84 Q85V77-V81 WeakPolarHBondContact O-CG2 3.44Å; V77-V81 PolarHBondContact O-N 3.33Å; E78-V81 PolarHBondContact O-N 3.39Å; V81-F83 VanDerWaalsContact C-N 3.32Å; V81-F83 PolarHBondContact O-N 2.87Å; V81-E84 PolarHBondContact O-N 3.01Å; V81-Q85 PolarHBondContact O-N 3.42Å
82L91.4Very high84.6Confident73 Ų7376.2 Ų76.238%0.38240%0.396SS..Hα-helixtrans-60.9-40.8175.8-78.5170.4000111.9E78 Q85 A86 L101E78-L82 WeakPolarHBondContact O-CB 3.4Å; E78-L82 WeakPolarHBondContact O-CG 3.39Å; E78-L82 PolarHBondContact O-N 3.17Å; L82-Q85 PolarHBondContact O-N 3.11Å; L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 2.94Å; L82-L101 HydrophobicContact CB-CD1 4.47Å; L82-L101 HydrophobicContact CB-CD2 3.81Å; L82-L101 HydrophobicContact CB-CG 4.23Å; L82-L101 HydrophobicContact CD1-CD2 3.94Å
83F93.3Very high86.4Confident0 Ų075.5 Ų75.50%039%0.391CS..Hα-helixtrans-63.9-43.8174.3-179.7-88.7000112.1W75 D79 K80 V81 Q85 A86 F87 F94 I97 L101 L109 F112 Y113 W116W75-F83 HydrophobicContact CH2-CB 4.33Å; W75-F83 AromaticContact CH2-CD2 3.84Å; W75-F83 HydrophobicContact CH2-CD2 3.84Å; W75-F83 HydrophobicContact CH2-CG 4.26Å; W75-F83 HydrophobicContact CZ3-CB 3.81Å; W75-F83 HydrophobicContact CZ3-CD2 4.19Å; W75-F83 HydrophobicContact CZ3-CG 4.17Å; D79-F83 VanDerWaalsContact O-CB 3.28Å; D79-F83 WeakPolarHBondContact O-CB 3.12Å; D79-F83 PolarHBondContact O-N 3.49Å; K80-F83 PolarHBondContact O-N 2.91Å; V81-F83 VanDerWaalsContact C-N 3.32Å; V81-F83 PolarHBondContact O-N 2.87Å; F83-Q85 VanDerWaalsContact C-N 3.34Å; F83-Q85 PolarHBondContact O-N 2.73Å; F83-A86 PolarHBondContact O-N 3.27Å; F83-F87 HydrophobicContact CE1-CB 4.41Å; F83-F87 HydrophobicContact CZ-CD2 4.36Å; F83-F87 WeakPolarHBondContact O-CB 3.31Å; F83-F87 PolarHBondContact O-N 3.17Å; F83-F94 HydrophobicContact CE2-CE1 4.44Å; F83-F94 HydrophobicContact CZ-CE1 4.46Å; F83-I97 HydrophobicContact CD2-CG2 3.89Å; F83-I97 HydrophobicContact CE2-CD1 4.4Å; F83-I97 HydrophobicContact CE2-CG2 4.17Å; F83-L101 HydrophobicContact CB-CD1 3.86Å; F83-L101 HydrophobicContact CD2-CD1 4.32Å; F83-L109 HydrophobicContact CD2-CD2 4.05Å; F83-L109 HydrophobicContact CE2-CB 4.36Å; F83-L109 HydrophobicContact CE2-CD2 4.34Å; F83-F112 HydrophobicContact CB-CD1 4.39Å; F83-F112 HydrophobicContact CB-CE1 4.16Å; F83-F112 AromaticContact CD1-CD1 3.57Å; F83-F112 HydrophobicContact CD1-CD1 3.57Å; F83-F112 AromaticContact CD1-CE1 3.43Å; F83-F112 HydrophobicContact CD1-CE1 3.43Å; F83-F112 VanDerWaalsContact CD1-CE1 3.43Å; F83-F112 HydrophobicContact CD2-CD1 4.04Å; F83-F112 AromaticContact CE1-CD1 3.75Å; F83-F112 HydrophobicContact CE1-CD1 3.75Å; F83-F112 AromaticContact CE1-CE1 3.93Å; F83-F112 HydrophobicContact CE1-CE1 3.93Å; F83-F112 HydrophobicContact CE2-CD1 4.2Å; F83-F112 AromaticContact CG-CD1 3.72Å; F83-F112 HydrophobicContact CG-CD1 3.72Å; F83-F112 AromaticContact CG-CE1 3.79Å; F83-F112 HydrophobicContact CG-CE1 3.79Å; F83-F112 HydrophobicContact CZ-CD1 4.07Å; F83-Y113 HydrophobicContact CZ-CD2 4.43Å; F83-W116 HydrophobicContact CE1-CD2 4.42Å; F83-W116 HydrophobicContact CE1-CE3 4.2Å
84E91.8Very high88.2Confident70 Ų7071 Ų7133%0.32737%0.365SS..Hα-helixtrans-61.9-41.9177.3-72-152-159.400112.3K80 V81 S88 W116 R120K80-E84 WeakPolarHBondContact O-CG 3.37Å; K80-E84 PolarHBondContact O-N 3.04Å; V81-E84 PolarHBondContact O-N 3.01Å; E84-S88 WeakPolarHBondContact O-CB 3.37Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-W116 HydrophobicContact CB-CZ2 4.5Å; E84-W116 VanDerWaalsContact CD-NE1 3.35Å; E84-W116 HydrophobicContact CG-CZ2 3.59Å; E84-W116 PolarHBondContact OE1-NE1 3.2Å; E84-R120 IonicContact OE2-CZ 2.76Å; E84-R120 IonicContact OE2-NH2 2.99Å; E84-R120 PolarHBondContact OE2-NH2 3.2Å
85Q91.1Very high89.2Confident97 Ų9770.9 Ų70.945%0.45336%0.364SS..Hα-helixtrans-69.8-45.7178.2-167.266.445.800111.7V81 L82 F83 F87 S88 F89V81-Q85 PolarHBondContact O-N 3.42Å; L82-Q85 PolarHBondContact O-N 3.11Å; F83-Q85 VanDerWaalsContact C-N 3.34Å; F83-Q85 PolarHBondContact O-N 2.73Å; Q85-F87 VanDerWaalsContact C-N 3.3Å; Q85-F87 PolarHBondContact O-N 3.19Å; Q85-S88 PolarHBondContact O-N 2.89Å; Q85-S88 PolarHBondContact O-OG 3.36Å; Q85-F89 HydrophobicContact CG-CD2 4.16Å; Q85-F89 HydrophobicContact CG-CE2 3.83Å; Q85-F89 WeakPolarHBondContact O-CD2 3.41Å; Q85-F89 PolarHBondContact O-N 3.47Å
86A91.6Very high89.9Confident3 Ų374.7 Ų74.73%0.02538%0.378CS..Hα-helixtrans-64.5-37.5177.400000111.4L82 F83 H90 I97 M100L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 2.94Å; F83-A86 PolarHBondContact O-N 3.27Å; A86-H90 WeakPolarHBondContact O-CB 3.39Å; A86-H90 PolarHBondContact O-CD2 2.94Å; A86-H90 PolarHBondContact O-N 3.47Å; A86-I97 HydrophobicContact CB-CB 4.31Å; A86-I97 HydrophobicContact CB-CG1 4.12Å; A86-I97 HydrophobicContact CB-CG2 3.96Å; A86-M100 HydrophobicContact CB-CB 4.11Å; A86-M100 HydrophobicContact CB-CG 4.12Å
87F93.1Very high90.3Very high36 Ų3671.8 Ų71.816%0.15836%0.361CS..Hα-helixtrans-69.8-34.2176.2-172.2-87.9000112.5F83 Q85 F89 G91 K92 I97 Y113 W116F83-F87 HydrophobicContact CE1-CB 4.41Å; F83-F87 HydrophobicContact CZ-CD2 4.36Å; F83-F87 WeakPolarHBondContact O-CB 3.31Å; F83-F87 PolarHBondContact O-N 3.17Å; Q85-F87 VanDerWaalsContact C-N 3.3Å; Q85-F87 PolarHBondContact O-N 3.19Å; F87-F89 VanDerWaalsContact C-N 3.33Å; F87-G91 VanDerWaalsContact CD2-O 3.22Å; F87-G91 WeakPolarHBondContact CD2-O 3.46Å; F87-G91 WeakPolarHBondContact CE2-O 3.47Å; F87-G91 VanDerWaalsContact O-CA 3.3Å; F87-G91 WeakPolarHBondContact O-CA 3.42Å; F87-G91 PolarHBondContact O-N 2.74Å; F87-K92 HydrophobicContact CE2-CG 4.06Å; F87-K92 HydrophobicContact CZ-CG 4.25Å; F87-I97 HydrophobicContact CB-CD1 4.05Å; F87-I97 HydrophobicContact CD2-CD1 3.79Å; F87-I97 HydrophobicContact CG-CD1 4.41Å; F87-Y113 HydrophobicContact CD2-CD2 4.34Å; F87-Y113 AromaticContact CE2-CD2 3.75Å; F87-Y113 HydrophobicContact CE2-CD2 3.75Å; F87-Y113 AromaticContact CE2-CE2 3.55Å; F87-Y113 HydrophobicContact CE2-CE2 3.55Å; F87-Y113 HydrophobicContact CZ-CD2 4.19Å; F87-Y113 AromaticContact CZ-CE2 3.57Å; F87-Y113 HydrophobicContact CZ-CE2 3.57Å; F87-W116 HydrophobicContact CD1-CH2 4.21Å; F87-W116 HydrophobicContact CD1-CZ3 4.29Å; F87-W116 HydrophobicContact CE1-CZ3 4.4Å
88S89.9Confident91.1Very high77 Ų7769.8 Ų69.854%0.53835%0.345SS..Hα-helixtrans-65.7-36177.271.10000112.2E84 Q85E84-S88 WeakPolarHBondContact O-CB 3.37Å; E84-S88 PolarHBondContact O-N 3.46Å; Q85-S88 PolarHBondContact O-N 2.89Å; Q85-S88 PolarHBondContact O-OG 3.36Å
89F88.5Confident91.6Very high147 Ų14769.7 Ų69.765%0.64534%0.344SS*.Hα-helixtrans-83.4-39.9177.5-70.5-61.1000114.2Q85 F87Q85-F89 HydrophobicContact CG-CD2 4.16Å; Q85-F89 HydrophobicContact CG-CE2 3.83Å; Q85-F89 WeakPolarHBondContact O-CD2 3.41Å; Q85-F89 PolarHBondContact O-N 3.47Å; F87-F89 VanDerWaalsContact C-N 3.33Å
90H91Very high91.5Very high57 Ų5773.2 Ų73.226%0.26436%0.361SS..Hα-helixtrans-110.8-4.5-168-57.3-52.2000114.5A86 T93 R96A86-H90 WeakPolarHBondContact O-CB 3.39Å; A86-H90 PolarHBondContact O-CD2 2.94Å; A86-H90 PolarHBondContact O-N 3.47Å; H90-T93 WeakPolarHBondContact O-CB 3.27Å; H90-T93 PolarHBondContact O-N 3.23Å; H90-T93 PolarHBondContact O-OG1 3.42Å; H90-R96 HydrophobicContact CB-CB 4.13Å; H90-R96 HydrophobicContact CB-CG 3.81Å; H90-R96 VanDerWaalsContact CD2-CG 3.5Å; H90-R96 WeakPolarHBondContact CD2-CG 3.43Å; H90-R96 PolarHBondContact CE1-NE 3.45Å; H90-R96 WeakPolarHBondContact ND1-CG 3.45Å
91G89.1Confident91.5Very high27 Ų2769.5 Ų69.528%0.27835%0.345SS..THydrogen-bonded Turntrans59.8-138.5-179.500000112.4F87 T93 I97F87-G91 VanDerWaalsContact CD2-O 3.22Å; F87-G91 WeakPolarHBondContact CD2-O 3.46Å; F87-G91 WeakPolarHBondContact CE2-O 3.47Å; F87-G91 VanDerWaalsContact O-CA 3.3Å; F87-G91 WeakPolarHBondContact O-CA 3.42Å; F87-G91 PolarHBondContact O-N 2.74Å; G91-T93 PolarHBondContact O-N 2.9Å; G91-T93 VanDerWaalsContact O-N 3.16Å; G91-I97 WeakPolarHBondContact O-CD1 3.44Å
92K90.6Very high91.3Very high139 Ų13969.5 Ų69.560%0.60435%0.347SS*.THydrogen-bonded Turntrans-80.715.4-178.4-64.1179.4-178.3173.40114.1F87 F94 Y113F87-K92 HydrophobicContact CE2-CG 4.06Å; F87-K92 HydrophobicContact CZ-CG 4.25Å; K92-F94 HydrophobicContact CB-CE2 4.33Å; K92-F94 WeakPolarHBondContact O-CD2 3.3Å; K92-F94 PolarHBondContact O-N 3.39Å; K92-Y113 VanDerWaalsContact CE-OH 3.31Å; K92-Y113 WeakPolarHBondContact CE-OH 3.35Å
93T93Very high91Very high79 Ų7973.2 Ų73.249%0.48537%0.368SS..  trans-78.875.6178-45.90000109.2H90 G91 H95 R96 I97H90-T93 WeakPolarHBondContact O-CB 3.27Å; H90-T93 PolarHBondContact O-N 3.23Å; H90-T93 PolarHBondContact O-OG1 3.42Å; G91-T93 PolarHBondContact O-N 2.9Å; G91-T93 VanDerWaalsContact O-N 3.16Å; T93-H95 PolarHBondContact O-N 3.1Å; T93-R96 HydrophobicContact CG2-CB 3.72Å; T93-R96 WeakPolarHBondContact O-CA 3.17Å; T93-R96 WeakPolarHBondContact O-CB 3.38Å; T93-R96 PolarHBondContact O-N 2.61Å; T93-I97 PolarHBondContact O-N 3.48Å
94F94.4Very high90.6Very high31 Ų3174.2 Ų74.214%0.13637%0.372CS..Hα-helixtrans-58.9-32.2-172.8-70-75.9000113.6F83 K92 R96 I97 Q98 I106 L109 V110 Y113F83-F94 HydrophobicContact CE2-CE1 4.44Å; F83-F94 HydrophobicContact CZ-CE1 4.46Å; K92-F94 HydrophobicContact CB-CE2 4.33Å; K92-F94 WeakPolarHBondContact O-CD2 3.3Å; K92-F94 PolarHBondContact O-N 3.39Å; F94-R96 PolarHBondContact O-N 2.89Å; F94-I97 HydrophobicContact CD1-CD1 4.35Å; F94-I97 PolarHBondContact O-N 3.13Å; F94-Q98 WeakPolarHBondContact O-CB 3.42Å; F94-Q98 PolarHBondContact O-N 2.83Å; F94-I106 HydrophobicContact CB-CG2 4.26Å; F94-L109 HydrophobicContact CD1-CB 3.94Å; F94-V110 HydrophobicContact CD1-CG2 4.05Å; F94-V110 HydrophobicContact CD2-CG2 3.89Å; F94-V110 HydrophobicContact CE1-CG2 4.07Å; F94-V110 HydrophobicContact CE2-CG2 3.91Å; F94-V110 HydrophobicContact CG-CG2 3.96Å; F94-V110 HydrophobicContact CZ-CG2 4Å; F94-Y113 HydrophobicContact CE1-CG 4.33Å; F94-Y113 HydrophobicContact CZ-CD1 4.16Å; F94-Y113 HydrophobicContact CZ-CD2 4.44Å; F94-Y113 AromaticContact CZ-CG 3.91Å; F94-Y113 HydrophobicContact CZ-CG 3.91Å
95H94.1Very high90.6Very high124 Ų12473.9 Ų73.957%0.57438%0.377SS*.Hα-helixtrans-62.1-32.5172.8-6288.5000112.6T93 I106T93-H95 PolarHBondContact O-N 3.1Å; H95-I106 WeakPolarHBondContact NE2-CD1 3.44Å
96R93.3Very high90.5Very high119 Ų11972 Ų7245%0.44937%0.37SS..Hα-helixtrans-80.4-35.7176.1-173.458.9172.8-161.3-6.9111.7H90 T93 F94 Q98 Q99H90-R96 HydrophobicContact CB-CB 4.13Å; H90-R96 HydrophobicContact CB-CG 3.81Å; H90-R96 VanDerWaalsContact CD2-CG 3.5Å; H90-R96 WeakPolarHBondContact CD2-CG 3.43Å; H90-R96 PolarHBondContact CE1-NE 3.45Å; H90-R96 WeakPolarHBondContact ND1-CG 3.45Å; T93-R96 HydrophobicContact CG2-CB 3.72Å; T93-R96 WeakPolarHBondContact O-CA 3.17Å; T93-R96 WeakPolarHBondContact O-CB 3.38Å; T93-R96 PolarHBondContact O-N 2.61Å; F94-R96 PolarHBondContact O-N 2.89Å; R96-Q98 VanDerWaalsContact C-N 3.31Å; R96-Q99 WeakPolarHBondContact O-CB 3.39Å; R96-Q99 PolarHBondContact O-N 3.38Å
97I93.2Very high90.4Very high0 Ų075.4 Ų75.40%040%0.398CS..Hα-helixtrans-62.8-40.1171.3-64.2176.9000110.7F83 A86 F87 G91 T93 F94 Q99 M100 L101 L109F83-I97 HydrophobicContact CD2-CG2 3.89Å; F83-I97 HydrophobicContact CE2-CD1 4.4Å; F83-I97 HydrophobicContact CE2-CG2 4.17Å; A86-I97 HydrophobicContact CB-CB 4.31Å; A86-I97 HydrophobicContact CB-CG1 4.12Å; A86-I97 HydrophobicContact CB-CG2 3.96Å; F87-I97 HydrophobicContact CB-CD1 4.05Å; F87-I97 HydrophobicContact CD2-CD1 3.79Å; F87-I97 HydrophobicContact CG-CD1 4.41Å; G91-I97 WeakPolarHBondContact O-CD1 3.44Å; T93-I97 PolarHBondContact O-N 3.48Å; F94-I97 HydrophobicContact CD1-CD1 4.35Å; F94-I97 PolarHBondContact O-N 3.13Å; I97-Q99 PolarHBondContact O-N 2.97Å; I97-M100 WeakPolarHBondContact O-CB 3.23Å; I97-M100 PolarHBondContact O-N 3.07Å; I97-L101 HydrophobicContact CG2-CD1 4.38Å; I97-L101 PolarHBondContact O-N 3.15Å; I97-L109 HydrophobicContact CB-CD1 4.44Å; I97-L109 HydrophobicContact CG2-CD1 4.12Å; I97-L109 HydrophobicContact CG2-CD2 4.24Å
98Q94.2Very high90.1Very high58 Ų5874.3 Ų74.327%0.27140%0.395SS..Hα-helixtrans-61.2-28.6177.7-169.7-179.721.300112.8F94 R96 M100 L101 P102 I106 L109F94-Q98 WeakPolarHBondContact O-CB 3.42Å; F94-Q98 PolarHBondContact O-N 2.83Å; R96-Q98 VanDerWaalsContact C-N 3.31Å; Q98-M100 PolarHBondContact O-N 3.33Å; Q98-L101 CarbonylContact O-C 3.35Å; Q98-L101 PolarHBondContact O-N 3.24Å; Q98-L101 VanDerWaalsContact O-N 3.08Å; Q98-P102 VanDerWaalsContact O-CA 3.31Å; Q98-P102 WeakPolarHBondContact O-CA 3.39Å; Q98-I106 VanDerWaalsContact OE1-CG1 3.29Å; Q98-L109 HydrophobicContact CB-CD1 3.78Å; Q98-L109 HydrophobicContact CG-CD1 4.36Å
99Q92.6Very high90.3Very high124 Ų12470.7 Ų70.758%0.57937%0.369SS*.THydrogen-bonded Turntrans-64-24.8174.7-66.7171.97.600112.4R96 I97R96-Q99 WeakPolarHBondContact O-CB 3.39Å; R96-Q99 PolarHBondContact O-N 3.38Å; I97-Q99 PolarHBondContact O-N 2.97Å
100M86.7Confident90.5Very high101 Ų10165.9 Ų65.950%0.49835%0.352SS..THydrogen-bonded Turntrans-92.8-14.9175-59-66.6-67.700112.8A86 I97 Q98A86-M100 HydrophobicContact CB-CB 4.11Å; A86-M100 HydrophobicContact CB-CG 4.12Å; I97-M100 WeakPolarHBondContact O-CB 3.23Å; I97-M100 PolarHBondContact O-N 3.07Å; Q98-M100 PolarHBondContact O-N 3.33Å
101L89.3Confident90.3Very high7 Ų770.5 Ų70.54%0.03737%0.371CS..  trans-136.667.6-179.3-72.7170.2000109W75 D79 L82 F83 I97 Q98 D103 K104 L109W75-L101 HydrophobicContact CH2-CD1 4.37Å; W75-L101 HydrophobicContact CZ3-CD1 4.22Å; D79-L101 HydrophobicContact CB-CD2 4.47Å; L82-L101 HydrophobicContact CB-CD1 4.47Å; L82-L101 HydrophobicContact CB-CD2 3.81Å; L82-L101 HydrophobicContact CB-CG 4.23Å; L82-L101 HydrophobicContact CD1-CD2 3.94Å; F83-L101 HydrophobicContact CB-CD1 3.86Å; F83-L101 HydrophobicContact CD2-CD1 4.32Å; I97-L101 HydrophobicContact CG2-CD1 4.38Å; I97-L101 PolarHBondContact O-N 3.15Å; Q98-L101 CarbonylContact O-C 3.35Å; Q98-L101 PolarHBondContact O-N 3.24Å; Q98-L101 VanDerWaalsContact O-N 3.08Å; L101-D103 PolarHBondContact O-N 3.43Å; L101-K104 HydrophobicContact CB-CB 4.27Å; L101-K104 HydrophobicContact CB-CG 4.25Å; L101-K104 PolarHBondContact O-N 3.45Å; L101-K104 VanDerWaalsContact O-N 3.12Å; L101-L109 HydrophobicContact CB-CD2 4.34Å; L101-L109 HydrophobicContact CD1-CD2 3.96Å
102P85.9Confident90.4Very high91 Ų9170.1 Ų70.159%0.59136%0.362SS*.THydrogen-bonded Turntrans-63.6-28.6-172.225.4-34.4000112.4Q98 K104Q98-P102 VanDerWaalsContact O-CA 3.31Å; Q98-P102 WeakPolarHBondContact O-CA 3.39Å; P102-K104 VanDerWaalsContact C-N 3.28Å; P102-K104 PolarHBondContact O-N 3.49Å
103D83.3Confident90.4Very high151 Ų15164.1 Ų64.181%0.80734%0.335SS*.THydrogen-bonded Turntrans-79.5-9.1-178.5-55.6-37000113.2L101L101-D103 PolarHBondContact O-N 3.43Å
104K86.3Confident90.1Very high20 Ų2067.7 Ų67.79%0.08734%0.341CS..SBendtrans-101.8118.8175.5-57.4-54.2-176.1-164.50109.7E74 W75 D79 L101 P102 L109E74-K104 PolarHBondContact O-NZ 3.11Å; W75-K104 HydrophobicContact CH2-CG 4.29Å; W75-K104 HydrophobicContact CZ2-CG 4.3Å; D79-K104 VanDerWaalsContact CG-CE 3.42Å; D79-K104 WeakPolarHBondContact OD2-CE 3.34Å; D79-K104 IonicContact OD2-NZ 3.96Å; D79-K104 PolarHBondContact OD2-NZ 3.28Å; L101-K104 HydrophobicContact CB-CB 4.27Å; L101-K104 HydrophobicContact CB-CG 4.25Å; L101-K104 PolarHBondContact O-N 3.45Å; L101-K104 VanDerWaalsContact O-N 3.12Å; P102-K104 VanDerWaalsContact C-N 3.28Å; P102-K104 PolarHBondContact O-N 3.49Å; K104-L109 HydrophobicContact CB-CD2 3.59Å; K104-L109 HydrophobicContact CB-CG 4.09Å; K104-L109 HydrophobicContact CG-CD2 4.35Å
105S90.8Very high89.5Confident64 Ų6469.3 Ų69.345%0.44836%0.357SS..  trans-62.7153.1173.771.40000111.4A107 S108 L109S105-A107 PolarHBondContact O-N 3.11Å; S105-A107 VanDerWaalsContact O-N 3.14Å; S105-S108 WeakPolarHBondContact O-CA 3.31Å; S105-S108 WeakPolarHBondContact O-CB 3.48Å; S105-S108 PolarHBondContact O-N 3.17Å; S105-S108 PolarHBondContact OG-N 3.43Å; S105-L109 WeakPolarHBondContact O-CG 3.3Å; S105-L109 PolarHBondContact O-N 3.14Å
106I90.6Very high89Confident58 Ų5864.5 Ų64.530%0.29733%0.333SS..Hα-helixtrans-52.1-39.9175.7-61.1170.4000110.9F94 H95 Q98 S108 L109 V110F94-I106 HydrophobicContact CB-CG2 4.26Å; H95-I106 WeakPolarHBondContact NE2-CD1 3.44Å; Q98-I106 VanDerWaalsContact OE1-CG1 3.29Å; I106-S108 PolarHBondContact O-N 3.03Å; I106-L109 PolarHBondContact O-N 3.32Å; I106-V110 HydrophobicContact CG2-CG2 4.3Å; I106-V110 WeakPolarHBondContact O-CB 3.34Å; I106-V110 VanDerWaalsContact O-CG2 3.24Å; I106-V110 WeakPolarHBondContact O-CG2 3.47Å; I106-V110 PolarHBondContact O-N 2.96Å
107A87.4Confident88.3Confident73 Ų7363.6 Ų63.660%0.60333%0.332SS*.Hα-helixtrans-61.6-42.9176.500000112.4S105 V110 K111S105-A107 PolarHBondContact O-N 3.11Å; S105-A107 VanDerWaalsContact O-N 3.14Å; A107-V110 PolarHBondContact O-N 3.48Å; A107-K111 VanDerWaalsContact O-CB 3.3Å; A107-K111 WeakPolarHBondContact O-CB 3.34Å; A107-K111 PolarHBondContact O-N 3.48Å
108S88.6Confident87Confident14 Ų1471.6 Ų71.610%0.09837%0.367CS..Hα-helixtrans-65.5-43.4175.8-1700000111.7W75 S105 I106 V110 K111 F112W75-S108 PolarHBondContact NE1-OG 3.32Å; S105-S108 WeakPolarHBondContact O-CA 3.31Å; S105-S108 WeakPolarHBondContact O-CB 3.48Å; S105-S108 PolarHBondContact O-N 3.17Å; S105-S108 PolarHBondContact OG-N 3.43Å; I106-S108 PolarHBondContact O-N 3.03Å; S108-V110 PolarHBondContact O-N 2.84Å; S108-K111 PolarHBondContact O-N 3.26Å; S108-F112 WeakPolarHBondContact O-CB 3.44Å; S108-F112 PolarHBondContact O-N 3.39Å
109L92.4Very high85.4Confident0 Ų073.4 Ų73.40%038%0.382CS..Hα-helixtrans-59.5-43.8175.8-62.4179.5000112.1W75 F83 F94 I97 Q98 L101 K104 S105 I106 F112 Y113W75-L109 HydrophobicContact CH2-CD2 3.59Å; W75-L109 HydrophobicContact CZ2-CD2 4.09Å; F83-L109 HydrophobicContact CD2-CD2 4.05Å; F83-L109 HydrophobicContact CE2-CB 4.36Å; F83-L109 HydrophobicContact CE2-CD2 4.34Å; F94-L109 HydrophobicContact CD1-CB 3.94Å; I97-L109 HydrophobicContact CB-CD1 4.44Å; I97-L109 HydrophobicContact CG2-CD1 4.12Å; I97-L109 HydrophobicContact CG2-CD2 4.24Å; Q98-L109 HydrophobicContact CB-CD1 3.78Å; Q98-L109 HydrophobicContact CG-CD1 4.36Å; L101-L109 HydrophobicContact CB-CD2 4.34Å; L101-L109 HydrophobicContact CD1-CD2 3.96Å; K104-L109 HydrophobicContact CB-CD2 3.59Å; K104-L109 HydrophobicContact CB-CG 4.09Å; K104-L109 HydrophobicContact CG-CD2 4.35Å; S105-L109 WeakPolarHBondContact O-CG 3.3Å; S105-L109 PolarHBondContact O-N 3.14Å; I106-L109 PolarHBondContact O-N 3.32Å; L109-F112 PolarHBondContact O-N 2.87Å; L109-Y113 WeakPolarHBondContact O-CB 3.48Å; L109-Y113 PolarHBondContact O-N 3.36Å
110V93.1Very high83.8Confident46 Ų4671.3 Ų71.328%0.27937%0.369SS..Hα-helixtrans-68.1-43178172.50000111F94 I106 A107 S108 F112 Y113 Y114F94-V110 HydrophobicContact CD1-CG2 4.05Å; F94-V110 HydrophobicContact CD2-CG2 3.89Å; F94-V110 HydrophobicContact CE1-CG2 4.07Å; F94-V110 HydrophobicContact CE2-CG2 3.91Å; F94-V110 HydrophobicContact CG-CG2 3.96Å; F94-V110 HydrophobicContact CZ-CG2 4Å; I106-V110 HydrophobicContact CG2-CG2 4.3Å; I106-V110 WeakPolarHBondContact O-CB 3.34Å; I106-V110 VanDerWaalsContact O-CG2 3.24Å; I106-V110 WeakPolarHBondContact O-CG2 3.47Å; I106-V110 PolarHBondContact O-N 2.96Å; A107-V110 PolarHBondContact O-N 3.48Å; S108-V110 PolarHBondContact O-N 2.84Å; V110-F112 VanDerWaalsContact C-N 3.32Å; V110-F112 PolarHBondContact O-N 3.41Å; V110-Y113 WeakPolarHBondContact O-CB 3.43Å; V110-Y113 PolarHBondContact O-N 3.36Å; V110-Y114 HydrophobicContact CG1-CD2 3.98Å; V110-Y114 HydrophobicContact CG1-CE2 3.75Å; V110-Y114 VanDerWaalsContact O-CD2 3.25Å; V110-Y114 WeakPolarHBondContact O-CD2 3.33Å; V110-Y114 PolarHBondContact O-N 3.46Å
111K88.1Confident82.2Confident154 Ų15472 Ų7267%0.6738%0.379SS*.Hα-helixtrans-60.3-43.8176.2-172.2179.9-179.6-174.50111A107 S108 Y114 S115A107-K111 VanDerWaalsContact O-CB 3.3Å; A107-K111 WeakPolarHBondContact O-CB 3.34Å; A107-K111 PolarHBondContact O-N 3.48Å; S108-K111 PolarHBondContact O-N 3.26Å; K111-Y114 PolarHBondContact O-N 3.19Å; K111-S115 PolarHBondContact O-N 3.19Å; K111-S115 PolarHBondContact O-OG 2.93Å
112F89.8Confident80Confident20 Ų2080.5 Ų80.59%0.08842%0.416CS..Hα-helixtrans-65.9-40.6175.5-175.3-100.6000112.6W75 K80 F83 S108 L109 V110 Y114 S115 W116W75-F112 HydrophobicContact CB-CD2 4.43Å; W75-F112 HydrophobicContact CB-CE2 4.38Å; W75-F112 HydrophobicContact CD2-CB 4.13Å; W75-F112 HydrophobicContact CD2-CD1 4.31Å; W75-F112 AromaticContact CD2-CD2 3.46Å; W75-F112 HydrophobicContact CD2-CD2 3.46Å; W75-F112 VanDerWaalsContact CD2-CD2 3.46Å; W75-F112 AromaticContact CD2-CE2 3.96Å; W75-F112 HydrophobicContact CD2-CE2 3.96Å; W75-F112 AromaticContact CD2-CG 3.69Å; W75-F112 HydrophobicContact CD2-CG 3.69Å; W75-F112 VanDerWaalsContact CE2-CB 3.43Å; W75-F112 AromaticContact CE2-CD2 3.68Å; W75-F112 AromaticContact CE2-CG 3.54Å; W75-F112 HydrophobicContact CE3-CD1 4Å; W75-F112 AromaticContact CE3-CD2 3.85Å; W75-F112 HydrophobicContact CE3-CD2 3.85Å; W75-F112 HydrophobicContact CE3-CE1 4.17Å; W75-F112 HydrophobicContact CE3-CE2 4.02Å; W75-F112 AromaticContact CE3-CG 3.86Å; W75-F112 HydrophobicContact CE3-CG 3.86Å; W75-F112 HydrophobicContact CE3-CZ 4.2Å; W75-F112 AromaticContact CG-CD2 3.74Å; W75-F112 HydrophobicContact CG-CD2 3.74Å; W75-F112 HydrophobicContact CG-CE2 4.13Å; W75-F112 HydrophobicContact CG-CG 4.4Å; W75-F112 HydrophobicContact CH2-CB 3.75Å; W75-F112 AromaticContact CH2-CD1 3.69Å; W75-F112 HydrophobicContact CH2-CD1 3.69Å; W75-F112 HydrophobicContact CH2-CD2 4.46Å; W75-F112 HydrophobicContact CH2-CE1 4.48Å; W75-F112 AromaticContact CH2-CG 3.7Å; W75-F112 HydrophobicContact CH2-CG 3.7Å; W75-F112 HydrophobicContact CZ2-CB 3.22Å; W75-F112 HydrophobicContact CZ2-CD1 4.06Å; W75-F112 HydrophobicContact CZ2-CD2 4.19Å; W75-F112 AromaticContact CZ2-CG 3.56Å; W75-F112 HydrophobicContact CZ2-CG 3.56Å; W75-F112 HydrophobicContact CZ3-CB 4.42Å; W75-F112 AromaticContact CZ3-CD1 3.7Å; W75-F112 HydrophobicContact CZ3-CD1 3.7Å; W75-F112 HydrophobicContact CZ3-CD2 4.33Å; W75-F112 HydrophobicContact CZ3-CE1 4.05Å; W75-F112 AromaticContact CZ3-CG 3.88Å; W75-F112 HydrophobicContact CZ3-CG 3.88Å; K80-F112 HydrophobicContact CB-CZ 4.18Å; K80-F112 HydrophobicContact CD-CE2 4.46Å; K80-F112 HydrophobicContact CD-CZ 4.42Å; K80-F112 HydrophobicContact CG-CE2 3.9Å; K80-F112 HydrophobicContact CG-CZ 3.62Å; F83-F112 HydrophobicContact CB-CD1 4.39Å; F83-F112 HydrophobicContact CB-CE1 4.16Å; F83-F112 AromaticContact CD1-CD1 3.57Å; F83-F112 HydrophobicContact CD1-CD1 3.57Å; F83-F112 AromaticContact CD1-CE1 3.43Å; F83-F112 HydrophobicContact CD1-CE1 3.43Å; F83-F112 VanDerWaalsContact CD1-CE1 3.43Å; F83-F112 HydrophobicContact CD2-CD1 4.04Å; F83-F112 AromaticContact CE1-CD1 3.75Å; F83-F112 HydrophobicContact CE1-CD1 3.75Å; F83-F112 AromaticContact CE1-CE1 3.93Å; F83-F112 HydrophobicContact CE1-CE1 3.93Å; F83-F112 HydrophobicContact CE2-CD1 4.2Å; F83-F112 AromaticContact CG-CD1 3.72Å; F83-F112 HydrophobicContact CG-CD1 3.72Å; F83-F112 AromaticContact CG-CE1 3.79Å; F83-F112 HydrophobicContact CG-CE1 3.79Å; F83-F112 HydrophobicContact CZ-CD1 4.07Å; S108-F112 WeakPolarHBondContact O-CB 3.44Å; S108-F112 PolarHBondContact O-N 3.39Å; L109-F112 PolarHBondContact O-N 2.87Å; V110-F112 VanDerWaalsContact C-N 3.32Å; V110-F112 PolarHBondContact O-N 3.41Å; F112-Y114 VanDerWaalsContact C-N 3.32Å; F112-Y114 PolarHBondContact O-N 3.01Å; F112-S115 WeakPolarHBondContact CA-OG 3.5Å; F112-S115 PolarHBondContact O-N 2.93Å; F112-S115 PolarHBondContact O-OG 3.02Å; F112-W116 HydrophobicContact CD1-CB 4.26Å; F112-W116 HydrophobicContact CE1-CB 3.88Å; F112-W116 HydrophobicContact CE1-CG 4.04Å; F112-W116 HydrophobicContact CZ-CB 4.02Å; F112-W116 HydrophobicContact CZ-CG 4.24Å; F112-W116 WeakPolarHBondContact O-CB 3.44Å; F112-W116 PolarHBondContact O-N 3.08Å
113Y91.7Very high78.4Confident12 Ų1279.8 Ų79.85%0.04741%0.41CS..Hα-helixtrans-54.2-46.7175.6170.4-105.9000112.7F83 F87 K92 F94 L109 V110 K117F83-Y113 HydrophobicContact CZ-CD2 4.43Å; F87-Y113 HydrophobicContact CD2-CD2 4.34Å; F87-Y113 AromaticContact CE2-CD2 3.75Å; F87-Y113 HydrophobicContact CE2-CD2 3.75Å; F87-Y113 AromaticContact CE2-CE2 3.55Å; F87-Y113 HydrophobicContact CE2-CE2 3.55Å; F87-Y113 HydrophobicContact CZ-CD2 4.19Å; F87-Y113 AromaticContact CZ-CE2 3.57Å; F87-Y113 HydrophobicContact CZ-CE2 3.57Å; K92-Y113 VanDerWaalsContact CE-OH 3.31Å; K92-Y113 WeakPolarHBondContact CE-OH 3.35Å; F94-Y113 HydrophobicContact CE1-CG 4.33Å; F94-Y113 HydrophobicContact CZ-CD1 4.16Å; F94-Y113 HydrophobicContact CZ-CD2 4.44Å; F94-Y113 AromaticContact CZ-CG 3.91Å; F94-Y113 HydrophobicContact CZ-CG 3.91Å; L109-Y113 WeakPolarHBondContact O-CB 3.48Å; L109-Y113 PolarHBondContact O-N 3.36Å; V110-Y113 WeakPolarHBondContact O-CB 3.43Å; V110-Y113 PolarHBondContact O-N 3.36Å; Y113-K117 HydrophobicContact CE1-CD 4.12Å; Y113-K117 HydrophobicContact CE2-CB 4.5Å; Y113-K117 HydrophobicContact CE2-CD 4.35Å; Y113-K117 WeakPolarHBondContact O-CB 3.46Å; Y113-K117 PolarHBondContact O-N 2.99Å; Y113-K117 WeakPolarHBondContact OH-CD 3.22Å; Y113-K117 PolarHBondContact OH-NZ 2.92Å
114Y87.4Confident76.7Confident154 Ų15475.7 Ų75.760%0.60439%0.393SS*.Hα-helixtrans-73-31.5-177.6-76.1-70.1000113.1V110 K111 F112V110-Y114 HydrophobicContact CG1-CD2 3.98Å; V110-Y114 HydrophobicContact CG1-CE2 3.75Å; V110-Y114 VanDerWaalsContact O-CD2 3.25Å; V110-Y114 WeakPolarHBondContact O-CD2 3.33Å; V110-Y114 PolarHBondContact O-N 3.46Å; K111-Y114 PolarHBondContact O-N 3.19Å; F112-Y114 VanDerWaalsContact C-N 3.32Å; F112-Y114 PolarHBondContact O-N 3.01Å
115S80Confident75Confident66 Ų6679.9 Ų79.946%0.46242%0.42SS..Hα-helixtrans-72.6-45.2172.962.90000111.7K111 F112 K118K111-S115 PolarHBondContact O-N 3.19Å; K111-S115 PolarHBondContact O-OG 2.93Å; F112-S115 WeakPolarHBondContact CA-OG 3.5Å; F112-S115 PolarHBondContact O-N 2.93Å; F112-S115 PolarHBondContact O-OG 3.02Å; S115-K118 PolarHBondContact O-N 3.23Å
116W84.7Confident72.8Confident23 Ų2383.9 Ų83.99%0.08743%0.433CS..Hα-helixtrans-67.1-42.5178.9174.286.6000113.3F83 E84 F87 F112 K118 T119 R120F83-W116 HydrophobicContact CE1-CD2 4.42Å; F83-W116 HydrophobicContact CE1-CE3 4.2Å; E84-W116 HydrophobicContact CB-CZ2 4.5Å; E84-W116 VanDerWaalsContact CD-NE1 3.35Å; E84-W116 HydrophobicContact CG-CZ2 3.59Å; E84-W116 PolarHBondContact OE1-NE1 3.2Å; F87-W116 HydrophobicContact CD1-CH2 4.21Å; F87-W116 HydrophobicContact CD1-CZ3 4.29Å; F87-W116 HydrophobicContact CE1-CZ3 4.4Å; F112-W116 HydrophobicContact CD1-CB 4.26Å; F112-W116 HydrophobicContact CE1-CB 3.88Å; F112-W116 HydrophobicContact CE1-CG 4.04Å; F112-W116 HydrophobicContact CZ-CB 4.02Å; F112-W116 HydrophobicContact CZ-CG 4.24Å; F112-W116 WeakPolarHBondContact O-CB 3.44Å; F112-W116 PolarHBondContact O-N 3.08Å; W116-K118 PolarHBondContact O-N 3.39Å; W116-T119 PolarHBondContact O-N 3.41Å; W116-T119 PolarHBondContact O-OG1 2.9Å; W116-R120 VanDerWaalsContact CH2-CZ 3.4Å; W116-R120 VanDerWaalsContact CH2-NH1 3.32Å; W116-R120 VanDerWaalsContact CZ2-CD 3.42Å; W116-R120 HydrophobicContact CZ2-CG 4.35Å; W116-R120 PolarHBondContact O-N 3.26Å
117K79.1Confident71Confident99 Ų9984.5 Ų84.543%0.4344%0.438SS..Hα-helixtrans-60.6-33.9177.6-177.8-174.2-176.2179.70112Y113 T119Y113-K117 HydrophobicContact CE1-CD 4.12Å; Y113-K117 HydrophobicContact CE2-CB 4.5Å; Y113-K117 HydrophobicContact CE2-CD 4.35Å; Y113-K117 WeakPolarHBondContact O-CB 3.46Å; Y113-K117 PolarHBondContact O-N 2.99Å; Y113-K117 WeakPolarHBondContact OH-CD 3.22Å; Y113-K117 PolarHBondContact OH-NZ 2.92Å; K117-T119 VanDerWaalsContact C-N 3.32Å
118K65.9Low69.4Low169 Ų16990.9 Ų90.974%0.73545%0.446SS*.Hα-helixtrans-71-26.6-178.6-164.5177-179.7-178.20112.5S115 W116S115-K118 PolarHBondContact O-N 3.23Å; W116-K118 PolarHBondContact O-N 3.39Å
119T59.2Low67.7Low95 Ų9596.1 Ų96.158%0.58347%0.469SS*.Hα-helixtrans-92.3-29.3175.846.70000112.8W116 K117 T121 K122W116-T119 PolarHBondContact O-N 3.41Å; W116-T119 PolarHBondContact O-OG1 2.9Å; K117-T119 VanDerWaalsContact C-N 3.32Å; T119-T121 VanDerWaalsContact C-N 3.33Å; T119-T121 PolarHBondContact O-N 3.07Å; T119-K122 PolarHBondContact O-N 3.12Å
120R60.3Low65.9Low80 Ų8099 Ų9930%0.30249%0.492SS..Hα-helixtrans-64.4-30.6-179.6-148.6-172-159.7-168.29.8114.1E84 W116 K122 T123E84-R120 IonicContact OE2-CZ 2.76Å; E84-R120 IonicContact OE2-NH2 2.99Å; E84-R120 PolarHBondContact OE2-NH2 3.2Å; W116-R120 VanDerWaalsContact CH2-CZ 3.4Å; W116-R120 VanDerWaalsContact CH2-NH1 3.32Å; W116-R120 VanDerWaalsContact CZ2-CD 3.42Å; W116-R120 HydrophobicContact CZ2-CG 4.35Å; W116-R120 PolarHBondContact O-N 3.26Å; R120-K122 PolarHBondContact O-N 3.44Å; R120-K122 VanDerWaalsContact O-N 3.15Å; R120-T123 PolarHBondContact O-N 3.01Å; R120-T123 PolarHBondContact O-OG1 2.96Å
121T52.2Low64.3Low115 Ų115103 Ų10371%0.70650%0.503SS*.THydrogen-bonded Turntrans-71.2-3.5179.349.10000114.7T119T119-T121 VanDerWaalsContact C-N 3.33Å; T119-T121 PolarHBondContact O-N 3.07Å
122K44.3Very low62.8Low187 Ų187102 Ų10281%0.81350%0.498SS*.THydrogen-bonded Turntrans-90.32.7173.3-71.4-172.9176.1-177.80113.9T119 R120T119-K122 PolarHBondContact O-N 3.12Å; R120-K122 PolarHBondContact O-N 3.44Å; R120-K122 VanDerWaalsContact O-N 3.15Å
123T51.3Low60.9Low75 Ų75108 Ų10846%0.4653%0.526SS..SBendtrans-68.7138.7174.333.10000110.8R120 D127R120-T123 PolarHBondContact O-N 3.01Å; R120-T123 PolarHBondContact O-OG1 2.96Å; T123-D127 WeakPolarHBondContact CB-OD2 3.35Å
124S48.2Very low59.3Low66 Ų66113.9 Ų113.946%0.46255%0.552SS.*  trans-60.1153.8-169.1175.50000111.7M126 D127 R128S124-M126 PolarHBondContact O-N 2.87Å; S124-M126 PolarHBondContact OG-N 2.95Å; S124-D127 PolarHBondContact N-OD2 3.19Å; S124-D127 WeakPolarHBondContact O-CB 3.32Å; S124-D127 PolarHBondContact O-N 3.46Å; S124-R128 PolarHBondContact O-N 3.49Å
125V49.3Very low57.8Low107 Ų107115.8 Ų115.865%0.64856%0.558SS**Hα-helixtrans-51.7-28.8172.1177.70000111.4R128 H129V125-R128 WeakPolarHBondContact O-CB 3.41Å; V125-R128 PolarHBondContact O-N 2.94Å; V125-H129 PolarHBondContact O-N 3.22Å; V125-H129 PolarHBondContact O-ND1 3.05Å
126M44.9Very low56.5Low148 Ų148117.4 Ų117.473%0.72956%0.558SS**Hα-helixtrans-64.4-40.8174.6-64.7179.466.600113.2S124 R128 H129 A130S124-M126 PolarHBondContact O-N 2.87Å; S124-M126 PolarHBondContact OG-N 2.95Å; M126-R128 PolarHBondContact O-N 3.16Å; M126-H129 PolarHBondContact O-N 2.9Å; M126-H129 VanDerWaalsContact O-N 3.17Å; M126-A130 PolarHBondContact O-N 3.18Å; M126-A130 VanDerWaalsContact O-N 3.1Å
127D52.1Low54.9Low72 Ų72125.2 Ų125.239%0.38559%0.588SS.*Hα-helixtrans-65.9-27.9177.9-68.8-42.1000111.9T123 S124 R131T123-D127 WeakPolarHBondContact CB-OD2 3.35Å; S124-D127 PolarHBondContact N-OD2 3.19Å; S124-D127 WeakPolarHBondContact O-CB 3.32Å; S124-D127 PolarHBondContact O-N 3.46Å; D127-R131 WeakPolarHBondContact O-CG 3.44Å; D127-R131 PolarHBondContact O-N 3.34Å
128R53.9Low53.6Low206 Ų206125.9 Ų125.978%0.77759%0.593SS**Hα-helixtrans-71-34.7176.8-157.2176.9-172.8-160.8-1.6112.1S124 V125 M126 K132S124-R128 PolarHBondContact O-N 3.49Å; V125-R128 WeakPolarHBondContact O-CB 3.41Å; V125-R128 PolarHBondContact O-N 2.94Å; M126-R128 PolarHBondContact O-N 3.16Å; R128-K132 PolarHBondContact O-N 3.36Å
129H54.4Low52.8Low124 Ų124123.7 Ų123.757%0.57459%0.585SS**Hα-helixtrans-76.7-38.4177-69.772.2000111.3V125 M126 R131 K132 Q133V125-H129 PolarHBondContact O-N 3.22Å; V125-H129 PolarHBondContact O-ND1 3.05Å; M126-H129 PolarHBondContact O-N 2.9Å; M126-H129 VanDerWaalsContact O-N 3.17Å; H129-R131 VanDerWaalsContact C-N 3.31Å; H129-R131 PolarHBondContact O-N 2.85Å; H129-K132 PolarHBondContact O-N 3.36Å; H129-K132 VanDerWaalsContact O-N 3.16Å; H129-Q133 PolarHBondContact O-N 3.2Å
130A53.3Low52.1Low60 Ų60122.7 Ų122.750%0.49658%0.582SS.*Hα-helixtrans-61.1-36.7176.300000113.1M126 K134M126-A130 PolarHBondContact O-N 3.18Å; M126-A130 VanDerWaalsContact O-N 3.1Å; A130-K134 PolarHBondContact O-N 2.92Å
131R60.1Low51.3Low132 Ų132125.5 Ų125.550%0.49860%0.599SS.*Hα-helixtrans-75.6-28.6175.8-66.7179.9-166.1-148.7-0.8113.5D127 H129 R135D127-R131 WeakPolarHBondContact O-CG 3.44Å; D127-R131 PolarHBondContact O-N 3.34Å; H129-R131 VanDerWaalsContact C-N 3.31Å; H129-R131 PolarHBondContact O-N 2.85Å; R131-R135 PolarHBondContact O-N 3.16Å
132K55.8Low50.7Low131 Ų131127 Ų12757%0.5760%0.603SS**Hα-helixtrans-70-43.8175-166.4-178.3179.8-157.30110.5R128 H129 K134 R135 E136R128-K132 PolarHBondContact O-N 3.36Å; H129-K132 PolarHBondContact O-N 3.36Å; H129-K132 VanDerWaalsContact O-N 3.16Å; K132-K134 VanDerWaalsContact C-N 3.33Å; K132-K134 PolarHBondContact O-N 2.84Å; K132-R135 PolarHBondContact O-N 2.9Å; K132-E136 WeakPolarHBondContact CE-OE1 3.42Å; K132-E136 IonicContact NZ-OE1 2.82Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 3.48Å
133Q50.6Low50.5Low147 Ų147125.7 Ų125.769%0.68760%0.599SS**Hα-helixtrans-68.4-30.8178.8-142.6-1794300113H129 R137H129-Q133 PolarHBondContact O-N 3.2Å; Q133-R137 PolarHBondContact O-N 3.45Å
134K58.1Low49.9Very low136 Ų136130 Ų13059%0.59162%0.616SS**Hα-helixtrans-70.8-37.5172.9-167.2178.5179-167.40112.3A130 K132 R137 E138A130-K134 PolarHBondContact O-N 2.92Å; K132-K134 VanDerWaalsContact C-N 3.33Å; K132-K134 PolarHBondContact O-N 2.84Å; K134-R137 PolarHBondContact O-N 3.38Å; K134-E138 WeakPolarHBondContact CE-OE1 3.47Å; K134-E138 IonicContact NZ-OE1 3.61Å; K134-E138 PolarHBondContact O-N 2.89Å
135R55.4Low49.6Very low194 Ų194135.7 Ų135.773%0.73264%0.635SS**Hα-helixtrans-66.9-42.2175.6-118.7178.5180-167.2-5.4112.2R131 K132 R137 E138 E139R131-R135 PolarHBondContact O-N 3.16Å; K132-R135 PolarHBondContact O-N 2.9Å; R135-R137 PolarHBondContact O-N 3.4Å; R135-E138 PolarHBondContact O-N 3.29Å; R135-E139 WeakPolarHBondContact O-CB 3.47Å; R135-E139 PolarHBondContact O-N 3.01Å
136E52.4Low48.7Very low99 Ų99139.8 Ų139.846%0.46365%0.648SS.*Hα-helixtrans-65.4-23.4177-73169.2-179.400112.7K132 S140K132-E136 WeakPolarHBondContact CE-OE1 3.42Å; K132-E136 IonicContact NZ-OE1 2.82Å; K132-E136 WeakPolarHBondContact O-CG 3.25Å; K132-E136 PolarHBondContact O-N 3.48Å; E136-S140 PolarHBondContact O-OG 3.43Å
137R52.4Low48.1Very low187 Ų187138.9 Ų138.971%0.70665%0.65SS**Hα-helixtrans-85-31.2176.6-163.8176.9-175.2-166.80.5113.5Q133 K134 R135 S140Q133-R137 PolarHBondContact O-N 3.45Å; K134-R137 PolarHBondContact O-N 3.38Å; R135-R137 PolarHBondContact O-N 3.4Å; R137-S140 PolarHBondContact O-OG 2.99Å
138E52.4Low46.9Very low113 Ų113143.4 Ų143.453%0.52868%0.675SS.*Hα-helixtrans-78.5-33.3175.2-71.5172.2-177.100110.9K134 R135 S140K134-E138 WeakPolarHBondContact CE-OE1 3.47Å; K134-E138 IonicContact NZ-OE1 3.61Å; K134-E138 PolarHBondContact O-N 2.89Å; R135-E138 PolarHBondContact O-N 3.29Å; E138-S140 VanDerWaalsContact C-N 3.32Å; E138-S140 PolarHBondContact O-N 2.87Å
139E48Very low45.7Very low123 Ų123137.1 Ų137.158%0.57567%0.673SS**Hα-helixtrans-72.1-24176.8-161.8164.4-151.300112.6R135R135-E139 WeakPolarHBondContact O-CB 3.47Å; R135-E139 PolarHBondContact O-N 3.01Å
140S44Very low44.5Very low75 Ų75138.3 Ų138.352%0.52468%0.684SS.*THydrogen-bonded Turntrans-79.7-11177.557.70000115.6E136 R137 E138E136-S140 PolarHBondContact O-OG 3.43Å; R137-S140 PolarHBondContact O-OG 2.99Å; E138-S140 VanDerWaalsContact C-N 3.32Å; E138-S140 PolarHBondContact O-N 2.87Å
141E44Very low43.7Very low138 Ų138142.3 Ų142.365%0.64570%0.697SS**THydrogen-bonded Turntrans-93.3-20.3177.8-74.4-176.316900112.8
142D40.7Very low42.8Very low148 Ų148140.8 Ų140.879%0.79171%0.705SS**SBendtrans-94.9-8.5-177.7-79.2-23.9000114.3
143E38.2Very low41.7Very low159 Ų159141.8 Ų141.874%0.74371%0.714SS**THydrogen-bonded Turntrans-93.89.1-174.4-78.7-165.8160.700115.9
144M40.5Very low40.6Very low165 Ų165140.5 Ų140.581%0.81371%0.712SS**THydrogen-bonded Turntrans-9812-179.248.8-178-161.500116.4
145E40.2Very low39.5Very low185 Ų185140.2 Ų140.286%0.86472%0.716SS**SBendtrans-132.678.8165.2-78.1-170.2159.600111.7
146E32.3Very low38.4Very low194 Ų194139 Ų13991%0.90772%0.719SS**  -176.2145.7127.1-103.5-171.7173.300112.5
147T30.4Very low37.3Very low128 Ų128141 Ų14179%0.78574%0.738SS**  trans-75.6136.1-16350.40000116
148N28.5Very low36.2Very low168 Ų168141 Ų14190%0.89875%0.745SS**  61113120.9-152.737.7000120.7
149G28.2Very low35.1Very low73 Ų73144.9 Ų144.975%0.75376%0.763SS**  trans158.794.4155.500000117.8
150N29.6Very low34.1Very low149 Ų149147 Ų14780%0.79778%0.779SS**  trans-31.7151.6162.8-72.9-16.4000115.6
151N35Very low33.4Very low144 Ų144152.6 Ų152.677%0.7779%0.794SS**  cis-174.1-176.528.6-122.1-10.5000110
152P41.7Very low32.5Very low101 Ų101155.4 Ų155.466%0.65681%0.807SS**  trans-125.1-166-132.139.6-19.5000117.8
153I32.4Very low31.9Very low151 Ų151153.7 Ų153.777%0.77481%0.806SS**  trans97.5136.7162.3-77151.2000117.2
154D28.1Very low31.4Very low121 Ų121155.9 Ų155.965%0.64781%0.813SS**  cis-160.51379.6-127.7-3.9000108.7
155I34.6Very low30.8Very low130 Ų130156.6 Ų156.667%0.66781%0.812SS**  58.9129.5100.1-64.6-172.3000114.3
156E32Very low30.1Very low168 Ų168155.7 Ų155.779%0.78581%0.808SS**  cis-170.7167.514.7-115.3166.1-161.300109.8
157V29.8Very low30Very low142 Ų142152.7 Ų152.786%0.86180%0.802SS**  trans146.1133.9132.7174.70000113.9
158E29.4Very low30.4Very low186 Ų186151.9 Ų151.987%0.86980%0.799SS**  trans-79.2161.1-152.2-62.5176.9124.500118.8
159Q29.8Very low31.1Very low194 Ų194149.4 Ų149.491%0.90779%0.793SS**  trans-86.2141.9165.6-67.3172.8-2.900111.4
160N25.8Very low31.2Very low169 Ų169150.2 Ų150.290%0.90479%0.792SS**  trans-134.7135.4155.1-1552.7000111.2
161K30.1Very low31.1Very low191 Ų191151.5 Ų151.583%0.8379%0.793SS**  trans-128.7120.6-171.1-173.9-179.2-175175.60108.8
162E25.5Very low30.8Very low197 Ų197151.5 Ų151.592%0.92180%0.799SS**  trans-115.5136175.3-140.5178.717800109.9
163S28.3Very low30.2Very low112 Ų112154.6 Ų154.678%0.78381%0.809SS**  trans-139.9122.9172.641.20000111.7
164K27.6Very low30.5Very low205 Ų205152.4 Ų152.489%0.89180%0.804SS**  trans-72.2150.4170.3-78.3175.1169.8174.80113.1
165K27.3Very low30.8Very low180 Ų180156.2 Ų156.278%0.78382%0.818SS**  trans140.3119.2133.6-92.1-171.6160179.50111.4
166E25.3Very low30.5Very low166 Ų166156.2 Ų156.278%0.77682%0.824SS**  79.3123.472-157177.1-143.900112.4
167V30.8Very low30.5Very low131 Ų131158.3 Ų158.379%0.79483%0.831SS**  trans-136.8144.9-174.8-177.70000109.1
168P38.4Very low30.8Very low111 Ų111161.2 Ų161.272%0.72183%0.832SS**  trans-144.7-174.713437.4-20.6000112.9
169P43.2Very low30.9Very low117 Ų117162 Ų16276%0.7684%0.835SS**  cis-137.7175-3934.2-15.3000115.9
170A30.1Very low31.1Very low89 Ų89162 Ų16274%0.73683%0.832SS**  trans62.4147.2148.600000120.1
171E27.7Very low31.4Very low176 Ų176162.3 Ų162.382%0.82283%0.828SS**  cis-169.4174.23.4-120.6175.1-163.700109.5
172T29.2Very low31.5Very low144 Ų144157.7 Ų157.788%0.88382%0.82SS**  trans107.2121.8165.669.70000119.4
173L30Very low31.9Very low166 Ų166153.7 Ų153.787%0.86981%0.809SS**  trans-104.7-174.6176.6-79.2164000109.1
174P38.7Very low32.6Very low105 Ų105157.6 Ų157.668%0.68282%0.815SS**  cis-134.1159.7-4534.2-18.2000112.7
175Q33.3Very low33.3Very low202 Ų202152.4 Ų152.494%0.94481%0.81SS**  trans-145.9141152.1-82.1-161.8-7.800113.8
176V29.4Very low34.3Very low130 Ų130153.1 Ų153.179%0.78881%0.814SS**  trans-85.9139.8-171.9172.40000111.2
177K31.9Very low35.4Very low212 Ų212153.3 Ų153.392%0.92282%0.82SS**  trans-159.2124.4142.8-104.7172.5-170.1-174.40110.4
178K34.7Very low36.3Very low203 Ų203159 Ų15988%0.88383%0.827SS**  trans-84.8135.9172.7-93177.3171.8170.50109.1
179E31.6Very low37Very low202 Ų202158.3 Ų158.394%0.94483%0.831SS**  trans-154.5144.7143-123.8176166.600111.3
180K34.2Very low37.8Very low193 Ų193161 Ų16184%0.83983%0.831SS**  trans-100.5137.3-166.7-74.4176.2172.3179.80111.8
181H33.2Very low39.6Very low176 Ų176169.2 Ų169.282%0.81584%0.842SS**  166.4114.4124.3-101.6-67.2000107.9
182S30.7Very low42.1Very low94 Ų94168.8 Ų168.866%0.65784%0.838SS**  50.4108.989.2-155.30000110.7
183T35.3Very low45Very low114 Ų114164.7 Ų164.770%0.69981%0.814SS**  -168.5150.55735.90000111.5
184Q42.9Very low48Very low193 Ų193161.3 Ų161.390%0.90280%0.802SS**  trans73.9135.2151.6-99165.7-700120.8
185A42.1Very low50.6Low97 Ų97166.8 Ų166.880%0.80282%0.815SS**  trans86.343.9168.400000119.7
186K48.7Very low53.4Low195 Ų195160.1 Ų160.185%0.84880%0.801SS**  trans-145.777.2167.3-65.7-174.5-177.1174.50113.5
187N46.6Very low56.5Low170 Ų170158.9 Ų158.991%0.90979%0.788SS**  trans-141.153.4172.7-89.5-35.7000113.1
188R49.8Very low59.5Low249 Ų249157.4 Ų157.494%0.9478%0.781SS**  trans-134.425.5164.9-103.4-178.7171-174.5-3.1112.4K190R188-K190 VanDerWaalsContact C-N 3.29Å; R188-K190 PolarHBondContact O-N 3.41Å
189A53.2Low62.3Low97 Ų97153.2 Ų153.280%0.80277%0.768SS**SBendtrans-73.186.517100000109.6R191A189-R191 PolarHBondContact O-N 2.96Å
190K60Low65.3Low174 Ų174145.6 Ų145.676%0.75774%0.737SS**  trans37.485.4147-57.4180-176.2177.70114.8R188 K192R188-K190 VanDerWaalsContact C-N 3.29Å; R188-K190 PolarHBondContact O-N 3.41Å; K190-K192 HydrophobicContact CB-CG 4.46Å; K190-K192 PolarHBondContact O-N 3.37Å
191R68.6Low68.2Low261 Ų261142.7 Ų142.799%0.98573%0.727SS**  trans-62.470.3165.4-63.4-178.9175.4-154.1-1.1110.7A189A189-R191 PolarHBondContact O-N 2.96Å
192K80.6Confident71.2Confident167 Ų167141.5 Ų141.573%0.72672%0.721SS**  trans-104.9139.2173.1-67.4-172177.5-167.40108.3K190K190-K192 HydrophobicContact CB-CG 4.46Å; K190-K192 PolarHBondContact O-N 3.37Å
193P89.6Confident74.3Confident58 Ų58141.3 Ų141.338%0.37771%0.713SS.*PPolyproline II helixtrans-58.3157.4174.919.4-27.2000111.1M197 L199P193-M197 HydrophobicContact CB-CB 4.38Å; P193-L199 HydrophobicContact CB-CB 4.45Å; P193-L199 HydrophobicContact CB-CD1 4.23Å; P193-L199 HydrophobicContact CB-CG 4.47Å
194P94.1Very high77.2Confident96 Ų96139.3 Ų139.362%0.62370%0.701SS**PPolyproline II helixtrans-51.7152176.3-26.134.8000112.1G196 M197P194-G196 PolarHBondContact O-N 3.15Å; P194-M197 HydrophobicContact CB-CB 4.34Å; P194-M197 WeakPolarHBondContact O-CB 3.24Å; P194-M197 PolarHBondContact O-N 2.94Å
195K92Very high79.8Confident219 Ų219135.4 Ų135.495%0.95268%0.682SS**THydrogen-bonded Turntrans-57.3128.1178.7-173.570.1175.7-179.10109.9M197K195-M197 VanDerWaalsContact C-N 3.3Å
196G92.8Very high82.4Confident63 Ų63133 Ų13365%0.64966%0.662SS**THydrogen-bonded Turntrans84.7-0.4-177.800000114.6P194P194-G196 PolarHBondContact O-N 3.15Å
197M94.5Very high84.7Confident104 Ų104126.8 Ų126.851%0.51264%0.641SS.*  trans-104.4127.1172.6-168.86367.100109.9P193 P194 K195 L199P193-M197 HydrophobicContact CB-CB 4.38Å; P194-M197 HydrophobicContact CB-CB 4.34Å; P194-M197 WeakPolarHBondContact O-CB 3.24Å; P194-M197 PolarHBondContact O-N 2.94Å; K195-M197 VanDerWaalsContact C-N 3.3Å; M197-L199 HydrophobicContact CG-CD1 4.1Å; M197-L199 HydrophobicContact CG-CG 4Å
198F93.8Very high87.1Confident180 Ų180122.7 Ų122.779%0.78963%0.625SS**  trans-110.8113.2179.7-60.6-91.5000108.1
199L94.5Very high89.3Confident115 Ų115114.4 Ų114.460%0.60261%0.61SS**  trans-131.9109.5177.4-62.9172.5000106.9P193 M197P193-L199 HydrophobicContact CB-CB 4.45Å; P193-L199 HydrophobicContact CB-CD1 4.23Å; P193-L199 HydrophobicContact CB-CG 4.47Å; M197-L199 HydrophobicContact CG-CD1 4.1Å; M197-L199 HydrophobicContact CG-CG 4Å
200S94.7Very high91.4Very high42 Ų42114 Ų11429%0.29460%0.595SS.*  trans-113.1154.517283.50000109.5E202 D203 V204S200-E202 VanDerWaalsContact C-N 3.3Å; S200-E202 PolarHBondContact O-N 2.92Å; S200-D203 WeakPolarHBondContact CB-OD2 3.35Å; S200-D203 WeakPolarHBondContact OG-CB 3.34Å; S200-D203 PolarHBondContact OG-N 3.42Å; S200-D203 PolarHBondContact OG-OD2 3.27Å; S200-V204 VanDerWaalsContact O-CG2 3.25Å; S200-V204 WeakPolarHBondContact O-CG2 3.44Å; S200-V204 PolarHBondContact O-N 2.93Å
201Q94.4Very high93.1Very high133 Ų133111.1 Ų111.162%0.62160%0.603SS**Hα-helixtrans-62.1-42.6178.1-17764.418.400111V204 E205Q201-V204 PolarHBondContact O-N 3.42Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.3Å; Q201-E205 PolarHBondContact NE2-OE1 2.97Å; Q201-E205 WeakPolarHBondContact O-CG 3.45Å; Q201-E205 PolarHBondContact O-N 3.26Å
202E96.7Very high94.5Very high150 Ų150102.6 Ų102.670%0.70158%0.58SS**Hα-helixtrans-61.1-48179-177.6179.9-177.100112.2S200 V204 E205 A206S200-E202 VanDerWaalsContact C-N 3.3Å; S200-E202 PolarHBondContact O-N 2.92Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 2.94Å; E202-E205 PolarHBondContact O-N 3.05Å; E202-A206 VanDerWaalsContact O-CB 3.31Å; E202-A206 WeakPolarHBondContact O-CB 3.31Å; E202-A206 PolarHBondContact O-N 3.34Å
203D96.4Very high95.3Very high91 Ų9195 Ų9549%0.48755%0.548SS..Hα-helixtrans-65.1-38.5-179.7-63.5-42.4000111.6S200 A206 V207S200-D203 WeakPolarHBondContact CB-OD2 3.35Å; S200-D203 WeakPolarHBondContact OG-CB 3.34Å; S200-D203 PolarHBondContact OG-N 3.42Å; S200-D203 PolarHBondContact OG-OD2 3.27Å; D203-A206 PolarHBondContact O-N 3.31Å; D203-V207 WeakPolarHBondContact O-CB 3.43Å; D203-V207 WeakPolarHBondContact O-CG2 3.35Å; D203-V207 PolarHBondContact O-N 3.12Å
204V95.6Very high95.6Very high72 Ų7294 Ų9444%0.43655%0.545SS..Hα-helixtrans-65.9-44.5178.3172.20000110.5S200 Q201 E202 S208S200-V204 VanDerWaalsContact O-CG2 3.25Å; S200-V204 WeakPolarHBondContact O-CG2 3.44Å; S200-V204 PolarHBondContact O-N 2.93Å; Q201-V204 PolarHBondContact O-N 3.42Å; E202-V204 VanDerWaalsContact C-N 3.32Å; E202-V204 PolarHBondContact O-N 2.94Å; V204-S208 VanDerWaalsContact O-CB 3.27Å; V204-S208 WeakPolarHBondContact O-CB 3.44Å; V204-S208 PolarHBondContact O-N 3.29Å; V204-S208 VanDerWaalsContact O-N 3.07Å; V204-S208 PolarHBondContact O-OG 3.24Å
205E96.9Very high95.7Very high110 Ų11092.6 Ų92.651%0.51454%0.535SS..Hα-helixtrans-63.2-45.9175.5-73.3174.1-173.800111.4Q201 E202 V207 S208 A209Q201-E205 WeakPolarHBondContact CG-OE1 3.3Å; Q201-E205 PolarHBondContact NE2-OE1 2.97Å; Q201-E205 WeakPolarHBondContact O-CG 3.45Å; Q201-E205 PolarHBondContact O-N 3.26Å; E202-E205 PolarHBondContact O-N 3.05Å; E205-V207 PolarHBondContact O-N 3.43Å; E205-S208 PolarHBondContact O-N 3.31Å; E205-A209 PolarHBondContact O-N 2.96Å
206A96.4Very high96Very high46 Ų4685.9 Ų85.938%0.3851%0.512SS..Hα-helixtrans-62.6-41.8-179.500000112.8E202 D203 A213E202-A206 VanDerWaalsContact O-CB 3.31Å; E202-A206 WeakPolarHBondContact O-CB 3.31Å; E202-A206 PolarHBondContact O-N 3.34Å; D203-A206 PolarHBondContact O-N 3.31Å; A206-A213 WeakPolarHBondContact O-CB 3.35Å
207V97.3Very high96.2Very high66 Ų6685.6 Ų85.640%0.450%0.498SS..Hα-helixtrans-77-29.2-178.3172.30000112.2D203 E205 A214D203-V207 WeakPolarHBondContact O-CB 3.43Å; D203-V207 WeakPolarHBondContact O-CG2 3.35Å; D203-V207 PolarHBondContact O-N 3.12Å; E205-V207 PolarHBondContact O-N 3.43Å; V207-A214 HydrophobicContact CG1-CB 3.65Å; V207-A214 PolarHBondContact O-N 2.94Å
208S96.9Very high96.4Very high84 Ų8485.8 Ų85.859%0.58750%0.5SS*.Hα-helixtrans-93.9-3.7-178.965.30000114.9V204 E205 N210V204-S208 VanDerWaalsContact O-CB 3.27Å; V204-S208 WeakPolarHBondContact O-CB 3.44Å; V204-S208 PolarHBondContact O-N 3.29Å; V204-S208 VanDerWaalsContact O-N 3.07Å; V204-S208 PolarHBondContact O-OG 3.24Å; E205-S208 PolarHBondContact O-N 3.31Å; S208-N210 PolarHBondContact O-N 3.45Å; S208-N210 VanDerWaalsContact O-N 3.11Å
209A96.6Very high96.6Very high74 Ų7484.6 Ų84.661%0.61249%0.491SS*.SBendtrans-55.6-31.8-174.700000114.9E205 A213E205-A209 PolarHBondContact O-N 2.96Å; A209-A213 HydrophobicContact CB-CB 4.31Å
210N96.5Very high96.7Very high90 Ų9083.9 Ų83.948%0.48148%0.484SS..SBendtrans-159.3172.5173.461.468.2000111.6S208 T212 A213S208-N210 PolarHBondContact O-N 3.45Å; S208-N210 VanDerWaalsContact O-N 3.11Å; N210-T212 PolarHBondContact O-N 3.27Å; N210-T212 VanDerWaalsContact O-N 3.07Å; N210-T212 PolarHBondContact OD1-N 3.43Å; N210-T212 PolarHBondContact OD1-OG1 3.47Å; N210-A213 WeakPolarHBondContact O-CB 3.31Å; N210-A213 PolarHBondContact O-N 3.46Å; N210-A213 VanDerWaalsContact O-N 3.14Å; N210-A213 PolarHBondContact OD1-N 2.93Å
211A96.8Very high96.9Very high112 Ų11286.9 Ų86.993%0.92650%0.496SS*.THydrogen-bonded Turntrans-57.1-26.4-17600000114.5
212T97.3Very high97.1Very high83 Ų8385.3 Ų85.351%0.50949%0.492SS..THydrogen-bonded Turntrans-107-5.7-177.849.50000114N210 A214 T215 T216N210-T212 PolarHBondContact O-N 3.27Å; N210-T212 VanDerWaalsContact O-N 3.07Å; N210-T212 PolarHBondContact OD1-N 3.43Å; N210-T212 PolarHBondContact OD1-OG1 3.47Å; T212-A214 PolarHBondContact O-N 3.5Å; T212-T215 PolarHBondContact O-N 2.98Å; T212-T215 VanDerWaalsContact O-N 3.14Å; T212-T215 PolarHBondContact O-OG1 2.9Å; T212-T216 PolarHBondContact O-N 3.08Å; T212-T216 PolarHBondContact O-OG1 3.34Å
213A96.9Very high97.2Very high7 Ų784.2 Ų84.26%0.05849%0.488CS..Hα-helixtrans-58.8-46.2-170.500000111.9A206 A209 N210 T215 T216 V217A206-A213 WeakPolarHBondContact O-CB 3.35Å; A209-A213 HydrophobicContact CB-CB 4.31Å; N210-A213 WeakPolarHBondContact O-CB 3.31Å; N210-A213 PolarHBondContact O-N 3.46Å; N210-A213 VanDerWaalsContact O-N 3.14Å; N210-A213 PolarHBondContact OD1-N 2.93Å; A213-T215 PolarHBondContact O-N 3.25Å; A213-T216 WeakPolarHBondContact O-CB 3.48Å; A213-T216 PolarHBondContact O-N 3.2Å; A213-V217 WeakPolarHBondContact O-CG2 3.33Å; A213-V217 PolarHBondContact O-N 2.93Å
214A96.3Very high97.3Very high38 Ų3884.3 Ų84.331%0.31449%0.486SS..Hα-helixtrans-52.1-50.9174.800000112.9V207 T212 T216 L218V207-A214 HydrophobicContact CG1-CB 3.65Å; V207-A214 PolarHBondContact O-N 2.94Å; T212-A214 PolarHBondContact O-N 3.5Å; A214-T216 VanDerWaalsContact C-N 3.27Å; A214-T216 PolarHBondContact O-N 3.29Å; A214-L218 WeakPolarHBondContact O-CG 3.42Å; A214-L218 PolarHBondContact O-N 3.24Å; A214-L218 VanDerWaalsContact O-N 3.16Å
215T97.3Very high97.4Very high65 Ų6584.9 Ų84.940%0.39949%0.486SS..Hα-helixtrans-70.2-25.9-179.666.60000113T212 A213 R219T212-T215 PolarHBondContact O-N 2.98Å; T212-T215 VanDerWaalsContact O-N 3.14Å; T212-T215 PolarHBondContact O-OG1 2.9Å; A213-T215 PolarHBondContact O-N 3.25Å; T215-R219 WeakPolarHBondContact O-CB 3.33Å; T215-R219 WeakPolarHBondContact O-CG 3.48Å; T215-R219 PolarHBondContact O-N 3.22Å; T215-R219 VanDerWaalsContact O-N 3.12Å; T215-R219 PolarHBondContact OG1-NH1 3.12Å
216T97.7Very high97.5Very high79 Ų7983.8 Ų83.849%0.48549%0.487SS..Hα-helixtrans-73.1-47.8178.1-56.60000110.5T212 A213 A214 L218 R219 Q220T212-T216 PolarHBondContact O-N 3.08Å; T212-T216 PolarHBondContact O-OG1 3.34Å; A213-T216 WeakPolarHBondContact O-CB 3.48Å; A213-T216 PolarHBondContact O-N 3.2Å; A214-T216 VanDerWaalsContact C-N 3.27Å; A214-T216 PolarHBondContact O-N 3.29Å; T216-L218 VanDerWaalsContact C-N 3.34Å; T216-L218 PolarHBondContact O-N 2.93Å; T216-R219 PolarHBondContact O-N 2.92Å; T216-Q220 PolarHBondContact O-N 3.23Å
217V97.6Very high97.6Very high57 Ų5783.6 Ų83.635%0.34548%0.483SS..Hα-helixtrans-59.3-45.9176.6173.60000110.7A213 Q220 L221A213-V217 WeakPolarHBondContact O-CG2 3.33Å; A213-V217 PolarHBondContact O-N 2.93Å; V217-Q220 PolarHBondContact O-N 3.47Å; V217-L221 HydrophobicContact CG1-CD1 4.26Å; V217-L221 WeakPolarHBondContact O-CG 3.22Å; V217-L221 PolarHBondContact O-N 2.87Å
218L97.6Very high97.6Very high108 Ų10884.5 Ų84.557%0.56548%0.484SS*.Hα-helixtrans-62.9-44.8178.4-67.7174.9000112.4A214 T216 Q220 L221 D222A214-L218 WeakPolarHBondContact O-CG 3.42Å; A214-L218 PolarHBondContact O-N 3.24Å; A214-L218 VanDerWaalsContact O-N 3.16Å; T216-L218 VanDerWaalsContact C-N 3.34Å; T216-L218 PolarHBondContact O-N 2.93Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-Q220 PolarHBondContact O-N 3.31Å; L218-L221 PolarHBondContact O-N 3.39Å; L218-D222 PolarHBondContact O-N 3.49Å
219R97.9Very high97.7Very high155 Ų15586.1 Ų86.159%0.58548%0.481SS*.Hα-helixtrans-62.6-38.6176.3-78.1-173.1-175.4101.5-2.5112.6T215 T216 D222 M223T215-R219 WeakPolarHBondContact O-CB 3.33Å; T215-R219 WeakPolarHBondContact O-CG 3.48Å; T215-R219 PolarHBondContact O-N 3.22Å; T215-R219 VanDerWaalsContact O-N 3.12Å; T215-R219 PolarHBondContact OG1-NH1 3.12Å; T216-R219 PolarHBondContact O-N 2.92Å; R219-D222 PolarHBondContact O-N 3.14Å; R219-M223 WeakPolarHBondContact O-CG 3.43Å; R219-M223 PolarHBondContact O-N 3.42Å
220Q98.1Very high97.8Very high99 Ų9989.1 Ų89.146%0.46348%0.476SS..Hα-helixtrans-62.8-45.2176.2-174.262.245.400111T216 V217 L218 D222 M223 E224T216-Q220 PolarHBondContact O-N 3.23Å; V217-Q220 PolarHBondContact O-N 3.47Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-Q220 PolarHBondContact O-N 3.31Å; Q220-D222 VanDerWaalsContact C-N 3.33Å; Q220-D222 PolarHBondContact O-N 3.29Å; Q220-M223 PolarHBondContact O-N 2.99Å; Q220-E224 PolarHBondContact NE2-OE1 3.48Å; Q220-E224 WeakPolarHBondContact O-CG 3.19Å; Q220-E224 PolarHBondContact O-N 2.72Å
221L98.1Very high97.9Very high105 Ų10590.2 Ų90.255%0.5548%0.478SS..Hα-helixtrans-63.4-37.6176.4-68175.1000112.3V217 L218 E224 L225V217-L221 HydrophobicContact CG1-CD1 4.26Å; V217-L221 WeakPolarHBondContact O-CG 3.22Å; V217-L221 PolarHBondContact O-N 2.87Å; L218-L221 PolarHBondContact O-N 3.39Å; L221-E224 PolarHBondContact O-N 3.44Å; L221-L225 WeakPolarHBondContact O-CB 3.11Å; L221-L225 PolarHBondContact O-N 3.34Å
222D98.4Very high98Very high101 Ų10189.3 Ų89.354%0.5446%0.457SS..Hα-helixtrans-63.2-41.4173.6-75.6-28.5000111.7L218 R219 Q220 L225 V226L218-D222 PolarHBondContact O-N 3.49Å; R219-D222 PolarHBondContact O-N 3.14Å; Q220-D222 VanDerWaalsContact C-N 3.33Å; Q220-D222 PolarHBondContact O-N 3.29Å; D222-L225 PolarHBondContact O-N 3.01Å; D222-V226 WeakPolarHBondContact O-CG2 3.34Å; D222-V226 PolarHBondContact O-N 3.4Å
223M98.1Very high98.1Very high126 Ų12690.6 Ų90.662%0.62146%0.458SS*.Hα-helixtrans-64.9-44.1175.7-71.9-178.467.600112.1R219 Q220 L225 V226 S227R219-M223 WeakPolarHBondContact O-CG 3.43Å; R219-M223 PolarHBondContact O-N 3.42Å; Q220-M223 PolarHBondContact O-N 2.99Å; M223-L225 VanDerWaalsContact C-N 3.33Å; M223-L225 PolarHBondContact O-N 3.42Å; M223-V226 PolarHBondContact O-N 2.93Å; M223-S227 WeakPolarHBondContact O-CB 3.14Å; M223-S227 PolarHBondContact O-N 3.07Å
224E98.4Very high98.2Very high94 Ų9494.8 Ų94.844%0.43948%0.479SS..Hα-helixtrans-59.4-44.4173.8-72.7-58.1140.100111.3Q220 L221 V226 S227 I228Q220-E224 PolarHBondContact NE2-OE1 3.48Å; Q220-E224 WeakPolarHBondContact O-CG 3.19Å; Q220-E224 PolarHBondContact O-N 2.72Å; L221-E224 PolarHBondContact O-N 3.44Å; E224-V226 VanDerWaalsContact C-N 3.34Å; E224-V226 PolarHBondContact O-N 3.03Å; E224-S227 WeakPolarHBondContact O-CB 3.37Å; E224-S227 PolarHBondContact O-N 3.39Å; E224-S227 VanDerWaalsContact O-N 3.16Å; E224-I228 WeakPolarHBondContact O-CG1 3.11Å; E224-I228 PolarHBondContact O-N 3.04Å
225L98.3Very high98.3Very high84 Ų8496.9 Ų96.944%0.4448%0.484SS..Hα-helixtrans-59.6-44.2177.3-179.764.7000111.7L221 D222 M223 K229L221-L225 WeakPolarHBondContact O-CB 3.11Å; L221-L225 PolarHBondContact O-N 3.34Å; D222-L225 PolarHBondContact O-N 3.01Å; M223-L225 VanDerWaalsContact C-N 3.33Å; M223-L225 PolarHBondContact O-N 3.42Å; L225-K229 HydrophobicContact CD1-CD 4.49Å; L225-K229 HydrophobicContact CG-CD 4.25Å; L225-K229 WeakPolarHBondContact O-CB 3.2Å; L225-K229 VanDerWaalsContact O-CG 3.23Å; L225-K229 WeakPolarHBondContact O-CG 3.45Å; L225-K229 PolarHBondContact O-N 3.49Å
226V98.6Very high98.3Very high86 Ų86100.4 Ų100.452%0.52149%0.494SS..Hα-helixtrans-65.4-40.3176.31720000111D222 M223 E224 K229 R230D222-V226 WeakPolarHBondContact O-CG2 3.34Å; D222-V226 PolarHBondContact O-N 3.4Å; M223-V226 PolarHBondContact O-N 2.93Å; E224-V226 VanDerWaalsContact C-N 3.34Å; E224-V226 PolarHBondContact O-N 3.03Å; V226-K229 PolarHBondContact O-N 2.85Å; V226-R230 PolarHBondContact O-N 3.14Å
227S98.6Very high98.4Very high42 Ų42103.5 Ų103.529%0.29450%0.503SS..Hα-helixtrans-60.9-50.4177.2-163.90000112M223 E224 K229 R230 Q231M223-S227 WeakPolarHBondContact O-CB 3.14Å; M223-S227 PolarHBondContact O-N 3.07Å; E224-S227 WeakPolarHBondContact O-CB 3.37Å; E224-S227 PolarHBondContact O-N 3.39Å; E224-S227 VanDerWaalsContact O-N 3.16Å; S227-K229 PolarHBondContact O-N 2.98Å; S227-R230 WeakPolarHBondContact O-CB 2.89Å; S227-R230 PolarHBondContact O-N 3.03Å; S227-R230 PolarHBondContact OG-NH2 2.6Å; S227-Q231 PolarHBondContact O-N 3.43Å
228I98.7Very high98.4Very high86 Ų86104.8 Ų104.844%0.44151%0.511SS..Hα-helixtrans-63.1-42.3177.7-67.2169.3000110.6E224 R230 Q231 I232E224-I228 WeakPolarHBondContact O-CG1 3.11Å; E224-I228 PolarHBondContact O-N 3.04Å; I228-R230 VanDerWaalsContact C-N 3.3Å; I228-R230 PolarHBondContact O-N 2.81Å; I228-Q231 PolarHBondContact O-N 3.07Å; I228-I232 HydrophobicContact CG2-CD1 3.95Å; I228-I232 HydrophobicContact CG2-CG1 4.44Å; I228-I232 WeakPolarHBondContact O-CG1 3.47Å; I228-I232 PolarHBondContact O-N 3.14Å
229K98.6Very high98.5Very high118 Ų118103.3 Ų103.351%0.51350%0.504SS..Hα-helixtrans-58-42.2175.4-79.7175178179.70112L225 V226 S227 I232 Q233L225-K229 HydrophobicContact CD1-CD 4.49Å; L225-K229 HydrophobicContact CG-CD 4.25Å; L225-K229 WeakPolarHBondContact O-CB 3.2Å; L225-K229 VanDerWaalsContact O-CG 3.23Å; L225-K229 WeakPolarHBondContact O-CG 3.45Å; L225-K229 PolarHBondContact O-N 3.49Å; V226-K229 PolarHBondContact O-N 2.85Å; S227-K229 PolarHBondContact O-N 2.98Å; K229-I232 PolarHBondContact O-N 3.36Å; K229-Q233 WeakPolarHBondContact O-CG 3.28Å; K229-Q233 PolarHBondContact O-N 3.3Å; K229-Q233 VanDerWaalsContact O-N 3.15Å
230R98.6Very high98.5Very high136 Ų13699.4 Ų99.451%0.51350%0.5SS..Hα-helixtrans-65.1-44.2175.8-177175.463.5-95.7-4.8111.6V226 S227 I228 I232 Q233 N234V226-R230 PolarHBondContact O-N 3.14Å; S227-R230 WeakPolarHBondContact O-CB 2.89Å; S227-R230 PolarHBondContact O-N 3.03Å; S227-R230 PolarHBondContact OG-NH2 2.6Å; I228-R230 VanDerWaalsContact C-N 3.3Å; I228-R230 PolarHBondContact O-N 2.81Å; R230-I232 VanDerWaalsContact C-N 3.3Å; R230-I232 PolarHBondContact O-N 2.88Å; R230-Q233 PolarHBondContact O-N 3.28Å; R230-Q233 VanDerWaalsContact O-N 3.12Å; R230-N234 PolarHBondContact O-N 2.98Å
231Q98.6Very high98.5Very high113 Ų11396.9 Ų96.953%0.52850%0.496SS..Hα-helixtrans-58.8-42175.7-174.3-179.4-8.100111.8S227 I228 Q233 N234 I235S227-Q231 PolarHBondContact O-N 3.43Å; I228-Q231 PolarHBondContact O-N 3.07Å; Q231-Q233 VanDerWaalsContact C-N 3.33Å; Q231-Q233 PolarHBondContact O-N 3.01Å; Q231-N234 PolarHBondContact O-N 3.39Å; Q231-I235 HydrophobicContact CG-CD1 4.1Å; Q231-I235 WeakPolarHBondContact O-CG1 3.43Å; Q231-I235 PolarHBondContact O-N 3.35Å
232I98.7Very high98.5Very high94 Ų9496 Ų9648%0.48249%0.492SS..Hα-helixtrans-60.2-42.6175.4-70.5167.6000111.1I228 K229 R230 I235 K236I228-I232 HydrophobicContact CG2-CD1 3.95Å; I228-I232 HydrophobicContact CG2-CG1 4.44Å; I228-I232 WeakPolarHBondContact O-CG1 3.47Å; I228-I232 PolarHBondContact O-N 3.14Å; K229-I232 PolarHBondContact O-N 3.36Å; R230-I232 VanDerWaalsContact C-N 3.3Å; R230-I232 PolarHBondContact O-N 2.88Å; I232-I235 PolarHBondContact O-N 2.85Å; I232-K236 VanDerWaalsContact O-CB 3.3Å; I232-K236 WeakPolarHBondContact O-CB 3.43Å; I232-K236 PolarHBondContact O-N 3.44Å
233Q98.7Very high98.5Very high110 Ų11098.8 Ų98.851%0.51450%0.499SS..Hα-helixtrans-63.4-41.3177.4-65.6-54.8-39.600112.1K229 R230 Q231 K236 Q237K229-Q233 WeakPolarHBondContact O-CG 3.28Å; K229-Q233 PolarHBondContact O-N 3.3Å; K229-Q233 VanDerWaalsContact O-N 3.15Å; R230-Q233 PolarHBondContact O-N 3.28Å; R230-Q233 VanDerWaalsContact O-N 3.12Å; Q231-Q233 VanDerWaalsContact C-N 3.33Å; Q231-Q233 PolarHBondContact O-N 3.01Å; Q233-K236 WeakPolarHBondContact O-CB 3.21Å; Q233-K236 PolarHBondContact O-N 3.39Å; Q233-Q237 PolarHBondContact O-N 2.87Å
234N98.6Very high98.5Very high94 Ų9499.4 Ų99.450%0.50350%0.5SS..Hα-helixtrans-62.5-45176.7-70.1-10.7000112R230 Q231 K236 Q237 T238R230-N234 PolarHBondContact O-N 2.98Å; Q231-N234 PolarHBondContact O-N 3.39Å; N234-K236 VanDerWaalsContact C-N 3.3Å; N234-K236 PolarHBondContact O-N 3.16Å; N234-Q237 PolarHBondContact O-N 2.84Å; N234-T238 WeakPolarHBondContact O-CB 3.25Å; N234-T238 PolarHBondContact O-N 3.28Å; N234-T238 PolarHBondContact O-OG1 2.86Å
235I98.7Very high98.5Very high83 Ų83103.3 Ų103.343%0.42652%0.515SS..Hα-helixtrans-63.5-40.3176.1-66.8169000110.2Q231 I232 Q237 T238 N239Q231-I235 HydrophobicContact CG-CD1 4.1Å; Q231-I235 WeakPolarHBondContact O-CG1 3.43Å; Q231-I235 PolarHBondContact O-N 3.35Å; I232-I235 PolarHBondContact O-N 2.85Å; I235-Q237 PolarHBondContact O-N 3.5Å; I235-T238 PolarHBondContact O-N 3.31Å; I235-N239 VanDerWaalsContact O-CB 3.31Å; I235-N239 WeakPolarHBondContact O-CB 3.21Å; I235-N239 VanDerWaalsContact O-CG 3.31Å; I235-N239 PolarHBondContact O-N 2.84Å
236K98.8Very high98.4Very high139 Ų139105.7 Ų105.760%0.60453%0.528SS*.Hα-helixtrans-61-45.1177.8-173-177.6176.8-170.70111.4I232 Q233 N234 S240I232-K236 VanDerWaalsContact O-CB 3.3Å; I232-K236 WeakPolarHBondContact O-CB 3.43Å; I232-K236 PolarHBondContact O-N 3.44Å; Q233-K236 WeakPolarHBondContact O-CB 3.21Å; Q233-K236 PolarHBondContact O-N 3.39Å; N234-K236 VanDerWaalsContact C-N 3.3Å; N234-K236 PolarHBondContact O-N 3.16Å; K236-S240 WeakPolarHBondContact O-CB 3.39Å; K236-S240 PolarHBondContact O-N 2.9Å
237Q98.5Very high98.2Very high144 Ų144109.4 Ų109.467%0.67354%0.54SS*.Hα-helixtrans-64.7-45.3177.1-171.9175.58.400111.5Q233 N234 I235 N239 S240 A241Q233-Q237 PolarHBondContact O-N 2.87Å; N234-Q237 PolarHBondContact O-N 2.84Å; I235-Q237 PolarHBondContact O-N 3.5Å; Q237-N239 PolarHBondContact O-N 3.29Å; Q237-S240 WeakPolarHBondContact O-CB 3.27Å; Q237-S240 PolarHBondContact O-N 3.44Å; Q237-A241 PolarHBondContact O-N 3.26Å; Q237-A241 VanDerWaalsContact O-N 3.08Å
238T98.6Very high97.9Very high83 Ų83110.5 Ų110.551%0.50956%0.558SS.*Hα-helixtrans-59.2-48.8177.2-55.80000111.3N234 I235 S240 A241 L242N234-T238 WeakPolarHBondContact O-CB 3.25Å; N234-T238 PolarHBondContact O-N 3.28Å; N234-T238 PolarHBondContact O-OG1 2.86Å; I235-T238 PolarHBondContact O-N 3.31Å; T238-S240 VanDerWaalsContact C-N 3.28Å; T238-S240 PolarHBondContact O-N 3.49Å; T238-A241 PolarHBondContact O-N 2.82Å; T238-L242 HydrophobicContact CG2-CD1 4.4Å; T238-L242 WeakPolarHBondContact O-CG 3.24Å; T238-L242 PolarHBondContact O-N 2.91Å
239N98.4Very high97.8Very high78 Ų78108.6 Ų108.642%0.41756%0.559SS.*Hα-helixtrans-66.4-31.3178.5-73.8-11.7000112.3I235 Q237 L242 K243I235-N239 VanDerWaalsContact O-CB 3.31Å; I235-N239 WeakPolarHBondContact O-CB 3.21Å; I235-N239 VanDerWaalsContact O-CG 3.31Å; I235-N239 PolarHBondContact O-N 2.84Å; Q237-N239 PolarHBondContact O-N 3.29Å; N239-L242 PolarHBondContact O-N 3.43Å; N239-K243 WeakPolarHBondContact O-CB 3.38Å; N239-K243 VanDerWaalsContact O-CG 3.27Å; N239-K243 WeakPolarHBondContact O-CG 3.41Å; N239-K243 PolarHBondContact O-N 3.32Å
240S98.4Very high97.7Very high72 Ų72108.3 Ų108.350%0.50356%0.562SS.*Hα-helixtrans-62.1-48.5173.6-164.10000110.9K236 Q237 T238 L242 K243 E244K236-S240 WeakPolarHBondContact O-CB 3.39Å; K236-S240 PolarHBondContact O-N 2.9Å; Q237-S240 WeakPolarHBondContact O-CB 3.27Å; Q237-S240 PolarHBondContact O-N 3.44Å; T238-S240 VanDerWaalsContact C-N 3.28Å; T238-S240 PolarHBondContact O-N 3.49Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.18Å; S240-K243 PolarHBondContact O-N 3.3Å; S240-E244 PolarHBondContact O-N 3Å
241A98.4Very high97.5Very high46 Ų46107.7 Ų107.738%0.3857%0.565SS.*Hα-helixtrans-63.4-37.8177.400000112.3Q237 T238 E244 K245Q237-A241 PolarHBondContact O-N 3.26Å; Q237-A241 VanDerWaalsContact O-N 3.08Å; T238-A241 PolarHBondContact O-N 2.82Å; A241-E244 PolarHBondContact O-N 3.22Å; A241-K245 WeakPolarHBondContact O-CG 3.32Å; A241-K245 PolarHBondContact O-N 3.23Å; A241-K245 VanDerWaalsContact O-N 3.11Å
242L98.3Very high97.3Very high88 Ų88109.5 Ų109.546%0.46157%0.573SS.*Hα-helixtrans-66.8-36.7174.7-68.6176.3000112.5T238 N239 S240 K245 L246T238-L242 HydrophobicContact CG2-CD1 4.4Å; T238-L242 WeakPolarHBondContact O-CG 3.24Å; T238-L242 PolarHBondContact O-N 2.91Å; N239-L242 PolarHBondContact O-N 3.43Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.18Å; L242-K245 PolarHBondContact O-N 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.1Å; L242-L246 PolarHBondContact O-N 3.22Å
243K98.1Very high97.2Very high158 Ų158112.9 Ų112.969%0.68758%0.581SS**Hα-helixtrans-66.9-40.9176.1-78.6177175.2-169.20112.1N239 S240 K245 L246 E247N239-K243 WeakPolarHBondContact O-CB 3.38Å; N239-K243 VanDerWaalsContact O-CG 3.27Å; N239-K243 WeakPolarHBondContact O-CG 3.41Å; N239-K243 PolarHBondContact O-N 3.32Å; S240-K243 PolarHBondContact O-N 3.3Å; K243-K245 VanDerWaalsContact C-N 3.33Å; K243-L246 CarbonylContact O-C 3.59Å; K243-L246 PolarHBondContact O-N 3.37Å; K243-L246 VanDerWaalsContact O-N 3.11Å; K243-E247 PolarHBondContact O-N 3Å
244E97.9Very high97Very high140 Ų140115 Ų11565%0.65459%0.585SS**Hα-helixtrans-61.3-42.3175-172.8-179.3174.500111.2S240 A241 L246 E247S240-E244 PolarHBondContact O-N 3Å; A241-E244 PolarHBondContact O-N 3.22Å; E244-L246 PolarHBondContact O-N 3.39Å; E244-L246 VanDerWaalsContact O-N 3.17Å; E244-E247 WeakPolarHBondContact O-CB 3.44Å; E244-E247 PolarHBondContact O-N 3.11Å
245K97.4Very high96.8Very high175 Ų175117.7 Ų117.776%0.76160%0.598SS**Hα-helixtrans-62.3-22.7174-72.5-179.5-179.5-172.80114.4A241 L242 K243A241-K245 WeakPolarHBondContact O-CG 3.32Å; A241-K245 PolarHBondContact O-N 3.23Å; A241-K245 VanDerWaalsContact O-N 3.11Å; L242-K245 PolarHBondContact O-N 3.31Å; K243-K245 VanDerWaalsContact C-N 3.33Å
246L96.7Very high96.6Very high135 Ų135119.3 Ų119.371%0.70761%0.614SS**THydrogen-bonded Turntrans-100.310.4178-63.7175.2000112.1L242 K243 E244 G249L242-L246 WeakPolarHBondContact O-CG 3.1Å; L242-L246 PolarHBondContact O-N 3.22Å; K243-L246 CarbonylContact O-C 3.59Å; K243-L246 PolarHBondContact O-N 3.37Å; K243-L246 VanDerWaalsContact O-N 3.11Å; E244-L246 PolarHBondContact O-N 3.39Å; E244-L246 VanDerWaalsContact O-N 3.17Å; L246-G249 PolarHBondContact O-N 2.65Å; L246-G249 VanDerWaalsContact O-N 3.14Å
247E95.3Very high96.2Very high163 Ų163121.4 Ų121.476%0.76263%0.626SS**THydrogen-bonded Turntrans-60.3141.5174.6-172.3169.2-154.500110.5K243 E244 G249K243-E247 PolarHBondContact O-N 3Å; E244-E247 WeakPolarHBondContact O-CB 3.44Å; E244-E247 PolarHBondContact O-N 3.11Å; E247-G249 PolarHBondContact O-N 3.07Å
248G92.3Very high95.8Very high66 Ų66119.9 Ų119.968%0.6863%0.626SS**THydrogen-bonded Turntrans81.6-13.1-172.700000114.9
249G95.8Very high95.4Very high45 Ų45122.1 Ų122.146%0.46464%0.64SS.*THydrogen-bonded Turntrans61-142.3174.800000113.1L246 E247L246-G249 PolarHBondContact O-N 2.65Å; L246-G249 VanDerWaalsContact O-N 3.14Å; E247-G249 PolarHBondContact O-N 3.07Å
250I96.7Very high95Very high113 Ų113123.1 Ų123.158%0.57964%0.642SS**THydrogen-bonded Turntrans-117.512.9-179.262.6168.9000113.5Q252 Y253 R254I250-Q252 VanDerWaalsContact C-N 3.31Å; I250-Q252 PolarHBondContact O-N 3.18Å; I250-Y253 HydrophobicContact CB-CD2 4.43Å; I250-Y253 CarbonylContact O-C 2.99Å; I250-Y253 WeakPolarHBondContact O-CA 3.47Å; I250-Y253 PolarHBondContact O-N 3.33Å; I250-R254 PolarHBondContact O-N 2.7Å; I250-R254 VanDerWaalsContact O-N 3.15Å
251E94.9Very high94.8Very high122 Ų122129 Ų12957%0.5766%0.659SS**G310 helixtrans-63.2-36.9-172.6-62.9-50.9138.200112.5Y253 R254E251-Y253 PolarHBondContact O-N 3.28Å; E251-R254 VanDerWaalsContact CD-NH1 3.33Å; E251-R254 WeakPolarHBondContact O-CB 3.43Å; E251-R254 PolarHBondContact O-N 3.23Å; E251-R254 VanDerWaalsContact O-N 3.13Å; E251-R254 IonicContact OE1-NH1 3.32Å; E251-R254 PolarHBondContact OE1-NH1 2.95Å; E251-R254 IonicContact OE2-CZ 2.74Å; E251-R254 IonicContact OE2-NH1 3.53Å; E251-R254 PolarHBondContact OE2-NH1 3.47Å
252Q94.5Very high94.6Very high151 Ų151133.3 Ų133.371%0.70667%0.669SS**G310 helixtrans-66.4-19.6175.168.4-174.94.800114I250I250-Q252 VanDerWaalsContact C-N 3.31Å; I250-Q252 PolarHBondContact O-N 3.18Å
253Y95.4Very high94.5Very high166 Ų166132.9 Ų132.965%0.65167%0.667SS**G310 helixtrans-99.9-0.7177.5-51.7-67.9000112.2I250 E251 L255I250-Y253 HydrophobicContact CB-CD2 4.43Å; I250-Y253 CarbonylContact O-C 2.99Å; I250-Y253 WeakPolarHBondContact O-CA 3.47Å; I250-Y253 PolarHBondContact O-N 3.33Å; E251-Y253 PolarHBondContact O-N 3.28Å; Y253-L255 PolarHBondContact O-N 3.15Å
254R95.6Very high94.4Very high154 Ų154129.1 Ų129.158%0.58167%0.665SS**PPolyproline II helixtrans-77.3117.4-179.4-172.9179-124.4104.76.6109.7I250 E251I250-R254 PolarHBondContact O-N 2.7Å; I250-R254 VanDerWaalsContact O-N 3.15Å; E251-R254 VanDerWaalsContact CD-NH1 3.33Å; E251-R254 WeakPolarHBondContact O-CB 3.43Å; E251-R254 PolarHBondContact O-N 3.23Å; E251-R254 VanDerWaalsContact O-N 3.13Å; E251-R254 IonicContact OE1-NH1 3.32Å; E251-R254 PolarHBondContact OE1-NH1 2.95Å; E251-R254 IonicContact OE2-CZ 2.74Å; E251-R254 IonicContact OE2-NH1 3.53Å; E251-R254 PolarHBondContact OE2-NH1 3.47Å
255L94.3Very high94.3Very high151 Ų151131.7 Ų131.779%0.79167%0.669SS**PPolyproline II helixtrans-80147.8172-61.2177.8000110.7Y253Y253-L255 PolarHBondContact O-N 3.15Å
256P93.8Very high94.4Very high117 Ų117125.3 Ų125.376%0.7664%0.64SS**PPolyproline II helixtrans-60.1139.8172.8-22.833.7000112V258P256-V258 PolarHBondContact O-N 3.44Å
257E90.8Very high94.4Very high182 Ų182121.7 Ų121.785%0.8562%0.624SS**PPolyproline II helixtrans-75.2123.2176.9-169.6171.2-175.600110.5
258V91.1Very high94.6Very high112 Ų112118.7 Ų118.768%0.67962%0.617SS**  trans-92.7105.1-180178.40000109P256 Q260P256-V258 PolarHBondContact O-N 3.44Å; V258-Q260 HydrophobicContact CG1-CG 3.92Å
259V88.4Confident94.8Very high131 Ų131121.1 Ų121.179%0.79461%0.614SS**  trans-91.8104.7177.7-175.10000109.9
260Q90.2Very high94.9Very high99 Ų99119.9 Ų119.946%0.46360%0.596SS.*  trans-112.1148.1174.8-72.4179.37.300111.5V258 N294V258-Q260 HydrophobicContact CG1-CG 3.92Å; Q260-N294 HydrophobicContact CB-CB 4.39Å
261K94.2Very high95Very high196 Ų196116 Ų11685%0.85258%0.576SS**  trans-80.6138.1173.8-68-174.7179-179.90110
262F95.6Very high95.2Very high136 Ų136114.5 Ų114.560%0.59657%0.571SS**  trans-63.6137.2175.9-64.2-59.1000112.1N294 K295F262-N294 CarbonylContact C-O 3.38Å; F262-N294 VanDerWaalsContact CA-O 3.32Å; F262-N294 WeakPolarHBondContact CA-O 3.46Å; F262-K295 VanDerWaalsContact CD1-C 3.45Å; F262-K295 WeakPolarHBondContact CE1-O 3.46Å
263N94.9Very high95.4Very high78 Ų78110.8 Ų110.842%0.41756%0.556SS.*  trans-124.4135.9179.5-168.6-23.4000110.4R265 N294 K295 Q299N263-R265 PolarHBondContact OD1-N 3.19Å; N263-N294 PolarHBondContact N-O 3.25Å; N263-K295 VanDerWaalsContact O-CD 3.26Å; N263-K295 WeakPolarHBondContact O-CD 3.33Å; N263-K295 WeakPolarHBondContact O-CE 3.35Å; N263-K295 PolarHBondContact O-NZ 3.45Å; N263-Q299 PolarHBondContact O-NE2 3Å
264A96Very high95.5Very high79 Ų79103 Ų10365%0.65353%0.525SS*.SBendtrans-79.2-26178.800000114
265R97.5Very high95.6Very high194 Ų19497.2 Ų97.273%0.73251%0.507SS*.  trans-75.3134.8179.5-175.8178.5-65-84.40109.7N263 E270 K295N263-R265 PolarHBondContact OD1-N 3.19Å; R265-E270 VanDerWaalsContact O-OE2 3.08Å; R265-K295 VanDerWaalsContact O-CE 3.3Å; R265-K295 WeakPolarHBondContact O-CE 3.33Å; R265-K295 PolarHBondContact O-NZ 2.94Å
266W98.1Very high95.8Very high41 Ų4196 Ų9616%0.15550%0.497CS..  trans-98.5110.7173.3-7590.9000110E270 Q271 A274 I292 K295 Q299 F303W266-E270 WeakPolarHBondContact CA-OE2 3.39Å; W266-E270 HydrophobicContact CE3-CB 3.92Å; W266-E270 HydrophobicContact CZ3-CB 4.28Å; W266-Q271 HydrophobicContact CB-CG 4Å; W266-Q271 HydrophobicContact CE3-CG 4.24Å; W266-Q271 PolarHBondContact O-NE2 3.44Å; W266-A274 HydrophobicContact CH2-CB 4.45Å; W266-A274 HydrophobicContact CZ3-CB 4.01Å; W266-I292 HydrophobicContact CH2-CD1 3.88Å; W266-I292 HydrophobicContact CZ3-CD1 3.94Å; W266-K295 HydrophobicContact CD2-CD 4.19Å; W266-K295 HydrophobicContact CE3-CD 4.42Å; W266-K295 HydrophobicContact CE3-CG 4.43Å; W266-K295 HydrophobicContact CH2-CB 4.15Å; W266-K295 HydrophobicContact CH2-CD 3.99Å; W266-K295 HydrophobicContact CH2-CG 3.59Å; W266-K295 HydrophobicContact CZ2-CB 4.33Å; W266-K295 HydrophobicContact CZ2-CD 3.68Å; W266-K295 HydrophobicContact CZ2-CG 3.8Å; W266-K295 HydrophobicContact CZ3-CD 4.33Å; W266-K295 HydrophobicContact CZ3-CG 3.91Å; W266-Q299 HydrophobicContact CZ2-CB 4.4Å; W266-F303 AromaticContact CD2-CD2 3.96Å; W266-F303 HydrophobicContact CD2-CD2 3.96Å; W266-F303 HydrophobicContact CD2-CE2 4.48Å; W266-F303 AromaticContact CE2-CD2 3.93Å; W266-F303 AromaticContact CE3-CD2 4Å; W266-F303 HydrophobicContact CE3-CD2 4Å; W266-F303 HydrophobicContact CE3-CE2 4.23Å; W266-F303 HydrophobicContact CH2-CB 4.04Å; W266-F303 AromaticContact CH2-CD2 3.97Å; W266-F303 HydrophobicContact CH2-CD2 3.97Å; W266-F303 HydrophobicContact CH2-CG 4.06Å; W266-F303 HydrophobicContact CZ2-CB 3.72Å; W266-F303 AromaticContact CZ2-CD2 3.95Å; W266-F303 HydrophobicContact CZ2-CD2 3.95Å; W266-F303 HydrophobicContact CZ2-CG 4.1Å; W266-F303 AromaticContact CZ3-CD2 4Å; W266-F303 HydrophobicContact CZ3-CD2 4Å; W266-F303 HydrophobicContact CZ3-CE2 4.36Å; W266-F303 HydrophobicContact CZ3-CG 4.45Å
267T98Very high96Very high60 Ų6090.5 Ų90.537%0.36846%0.462SS..  trans-75.6161170.370.90000110.4D269 E270 Q271T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.25Å; T267-E270 PolarHBondContact N-OE2 3.42Å; T267-E270 PolarHBondContact O-N 2.93Å; T267-E270 WeakPolarHBondContact OG1-CB 3.44Å; T267-E270 VanDerWaalsContact OG1-CD 3.29Å; T267-E270 WeakPolarHBondContact OG1-CG 3.48Å; T267-E270 PolarHBondContact OG1-N 2.96Å; T267-Q271 VanDerWaalsContact O-CG 3.27Å; T267-Q271 WeakPolarHBondContact O-CG 3.39Å; T267-Q271 PolarHBondContact O-N 2.88Å
268T97.9Very high96.4Very high99 Ų9982 Ų8261%0.60742%0.422SS*.Hα-helixtrans-57.9-42.3176.8-50.90000111.4E270 Q271 L272T268-E270 PolarHBondContact O-N 2.77Å; T268-Q271 PolarHBondContact O-N 3.21Å; T268-L272 HydrophobicContact CG2-CD1 4.34Å; T268-L272 WeakPolarHBondContact O-CG 3.24Å; T268-L272 PolarHBondContact O-N 3.3Å
269D97.8Very high96.7Very high118 Ų11879.7 Ų79.763%0.63140%0.402SS*.Hα-helixtrans-61.8-43.1178.5-60.8-18.5000111.8T267 Q271 L272 L273T267-D269 VanDerWaalsContact C-N 3.27Å; T267-D269 PolarHBondContact O-N 3.25Å; D269-Q271 VanDerWaalsContact C-N 3.33Å; D269-Q271 PolarHBondContact O-N 3.05Å; D269-L272 PolarHBondContact O-N 3.18Å; D269-L273 WeakPolarHBondContact O-CB 3.45Å; D269-L273 WeakPolarHBondContact O-CG 3.42Å; D269-L273 PolarHBondContact O-N 3.44Å
270E98.3Very high97.1Very high19 Ų1979.7 Ų79.79%0.08939%0.391CS..Hα-helixtrans-64.8-36.1176.5-70164.9169.500112.3R265 W266 T267 T268 A274 I292 N294 K295R265-E270 VanDerWaalsContact O-OE2 3.08Å; W266-E270 WeakPolarHBondContact CA-OE2 3.39Å; W266-E270 HydrophobicContact CE3-CB 3.92Å; W266-E270 HydrophobicContact CZ3-CB 4.28Å; T267-E270 PolarHBondContact N-OE2 3.42Å; T267-E270 PolarHBondContact O-N 2.93Å; T267-E270 WeakPolarHBondContact OG1-CB 3.44Å; T267-E270 VanDerWaalsContact OG1-CD 3.29Å; T267-E270 WeakPolarHBondContact OG1-CG 3.48Å; T267-E270 PolarHBondContact OG1-N 2.96Å; T268-E270 PolarHBondContact O-N 2.77Å; E270-A274 WeakPolarHBondContact O-CB 3.29Å; E270-A274 PolarHBondContact O-N 2.98Å; E270-I292 HydrophobicContact CB-CG2 4.34Å; E270-I292 HydrophobicContact CG-CG2 4.23Å; E270-N294 PolarHBondContact OE1-ND2 3.16Å; E270-N294 PolarHBondContact OE1-OD1 3.16Å; E270-K295 IonicContact OE1-NZ 2.75Å; E270-K295 PolarHBondContact OE1-NZ 2.84Å; E270-K295 VanDerWaalsContact OE1-NZ 3.11Å; E270-K295 WeakPolarHBondContact OE2-CE 3.44Å; E270-K295 IonicContact OE2-NZ 2.71Å; E270-K295 PolarHBondContact OE2-NZ 3.19Å
271Q98.3Very high97.5Very high31 Ų3178.9 Ų78.915%0.14538%0.384CS..Hα-helixtrans-67.2-42.5176.2-63.9174.138.600111W266 T267 T268 D269 A274 V275 F303 F311W266-Q271 HydrophobicContact CB-CG 4Å; W266-Q271 HydrophobicContact CE3-CG 4.24Å; W266-Q271 PolarHBondContact O-NE2 3.44Å; T267-Q271 VanDerWaalsContact O-CG 3.27Å; T267-Q271 WeakPolarHBondContact O-CG 3.39Å; T267-Q271 PolarHBondContact O-N 2.88Å; T268-Q271 PolarHBondContact O-N 3.21Å; D269-Q271 VanDerWaalsContact C-N 3.33Å; D269-Q271 PolarHBondContact O-N 3.05Å; Q271-A274 WeakPolarHBondContact O-CB 3.36Å; Q271-A274 PolarHBondContact O-N 3.26Å; Q271-V275 WeakPolarHBondContact O-CG2 3.49Å; Q271-V275 PolarHBondContact O-N 3.15Å; Q271-F303 HydrophobicContact CB-CE2 4.18Å; Q271-F303 HydrophobicContact CB-CZ 4.37Å; Q271-F303 HydrophobicContact CG-CE2 3.94Å; Q271-F311 HydrophobicContact CB-CE2 4.08Å; Q271-F311 HydrophobicContact CB-CZ 4.06Å
272L98.3Very high97.6Very high90 Ų9069.5 Ų69.547%0.47134%0.343SS..Hα-helixtrans-66.9-39.2176.4-67.6174.8000112T268 D269 V275 Q276T268-L272 HydrophobicContact CG2-CD1 4.34Å; T268-L272 WeakPolarHBondContact O-CG 3.24Å; T268-L272 PolarHBondContact O-N 3.3Å; D269-L272 PolarHBondContact O-N 3.18Å; L272-V275 PolarHBondContact O-N 3.14Å; L272-Q276 WeakPolarHBondContact O-CG 3.39Å; L272-Q276 PolarHBondContact O-N 3.06Å; L272-Q276 VanDerWaalsContact O-N 3.11Å; L272-Q276 PolarHBondContact O-NE2 3.35Å; L272-Q276 VanDerWaalsContact O-NE2 3.14Å
273L98.4Very high97.7Very high74 Ų7468.7 Ų68.739%0.38734%0.336SS..Hα-helixtrans-62.7-42.4172.4-76.9172.3000111.3D269 V275 Q276 A277D269-L273 WeakPolarHBondContact O-CB 3.45Å; D269-L273 WeakPolarHBondContact O-CG 3.42Å; D269-L273 PolarHBondContact O-N 3.44Å; L273-V275 PolarHBondContact O-N 3.48Å; L273-Q276 PolarHBondContact O-N 2.92Å; L273-A277 VanDerWaalsContact O-CB 3.25Å; L273-A277 WeakPolarHBondContact O-CB 3.33Å; L273-A277 PolarHBondContact O-N 3.38Å
274A98.4Very high97.8Very high1 Ų168.8 Ų68.81%0.00834%0.337CS..Hα-helixtrans-60.2-46.8176.700000111.6W266 E270 Q271 Q276 A277 I278 I292 F303W266-A274 HydrophobicContact CH2-CB 4.45Å; W266-A274 HydrophobicContact CZ3-CB 4.01Å; E270-A274 WeakPolarHBondContact O-CB 3.29Å; E270-A274 PolarHBondContact O-N 2.98Å; Q271-A274 WeakPolarHBondContact O-CB 3.36Å; Q271-A274 PolarHBondContact O-N 3.26Å; A274-Q276 PolarHBondContact O-N 2.82Å; A274-A277 PolarHBondContact O-N 2.87Å; A274-I278 WeakPolarHBondContact O-CG1 3.44Å; A274-I278 PolarHBondContact O-N 2.89Å; A274-I292 HydrophobicContact CB-CD1 3.79Å; A274-F303 HydrophobicContact CB-CD1 4.11Å; A274-F303 HydrophobicContact CB-CE1 3.68Å; A274-F303 HydrophobicContact CB-CE2 4.45Å; A274-F303 HydrophobicContact CB-CZ 3.87Å
275V98.4Very high97.9Very high33 Ų3367.6 Ų67.620%0.232%0.317CS..Hα-helixtrans-62-43.5178.71750000111.6Q271 L272 L273 I278 R279 F303 F311 V316Q271-V275 WeakPolarHBondContact O-CG2 3.49Å; Q271-V275 PolarHBondContact O-N 3.15Å; L272-V275 PolarHBondContact O-N 3.14Å; L273-V275 PolarHBondContact O-N 3.48Å; V275-I278 PolarHBondContact O-N 3.5Å; V275-R279 PolarHBondContact O-N 3.21Å; V275-F303 HydrophobicContact CG2-CE1 4.49Å; V275-F303 HydrophobicContact CG2-CZ 4.39Å; V275-F311 HydrophobicContact CG2-CB 3.77Å; V275-F311 HydrophobicContact CG2-CD1 4.24Å; V275-F311 HydrophobicContact CG2-CD2 3.79Å; V275-F311 HydrophobicContact CG2-CE2 4.44Å; V275-F311 HydrophobicContact CG2-CG 3.7Å; V275-V316 HydrophobicContact CG1-CG2 4.4Å
276Q98.2Very high98Very high125 Ų12562.9 Ų62.958%0.58430%0.303SS*.Hα-helixtrans-63.8-40.5175.3-72.6172.577.800112.3L272 L273 A274 R279 K280L272-Q276 WeakPolarHBondContact O-CG 3.39Å; L272-Q276 PolarHBondContact O-N 3.06Å; L272-Q276 VanDerWaalsContact O-N 3.11Å; L272-Q276 PolarHBondContact O-NE2 3.35Å; L272-Q276 VanDerWaalsContact O-NE2 3.14Å; L273-Q276 PolarHBondContact O-N 2.92Å; A274-Q276 PolarHBondContact O-N 2.82Å; Q276-R279 WeakPolarHBondContact O-CB 3.43Å; Q276-R279 PolarHBondContact O-N 3.29Å; Q276-K280 PolarHBondContact O-N 3.19Å; Q276-K280 VanDerWaalsContact O-N 3.09Å
277A98.4Very high98Very high3 Ų361.8 Ų61.83%0.02530%0.303CS..Hα-helixtrans-65.5-40.2176.300000111.3L273 A274 R279 K280 Y281 I288 V291L273-A277 VanDerWaalsContact O-CB 3.25Å; L273-A277 WeakPolarHBondContact O-CB 3.33Å; L273-A277 PolarHBondContact O-N 3.38Å; A274-A277 PolarHBondContact O-N 2.87Å; A277-R279 VanDerWaalsContact C-N 3.31Å; A277-R279 PolarHBondContact O-N 3.26Å; A277-K280 PolarHBondContact O-N 3.42Å; A277-Y281 HydrophobicContact CB-CD2 4.1Å; A277-Y281 HydrophobicContact CB-CE2 4.5Å; A277-Y281 WeakPolarHBondContact O-CB 3.42Å; A277-Y281 WeakPolarHBondContact O-CD2 3.32Å; A277-Y281 PolarHBondContact O-N 3.42Å; A277-I288 HydrophobicContact CB-CB 4.24Å; A277-I288 HydrophobicContact CB-CG1 3.94Å; A277-I288 HydrophobicContact CB-CG2 3.96Å; A277-V291 HydrophobicContact CB-CB 4.39Å; A277-V291 HydrophobicContact CB-CG1 4.14Å
278I98.3Very high98Very high2 Ų258.9 Ų58.91%0.0129%0.285CS..Hα-helixtrans-60.5-43.6173.7-65.8166.8000110.5A274 V275 K280 G282 I288 F303 F304 I313 V316 L317A274-I278 WeakPolarHBondContact O-CG1 3.44Å; A274-I278 PolarHBondContact O-N 2.89Å; V275-I278 PolarHBondContact O-N 3.5Å; I278-K280 PolarHBondContact O-N 3Å; I278-G282 VanDerWaalsContact O-CA 3.23Å; I278-G282 WeakPolarHBondContact O-CA 3.27Å; I278-G282 PolarHBondContact O-N 3.01Å; I278-I288 HydrophobicContact CG1-CD1 3.92Å; I278-F303 HydrophobicContact CD1-CD1 4.23Å; I278-F303 HydrophobicContact CD1-CE1 4.05Å; I278-F304 HydrophobicContact CB-CZ 4.34Å; I278-F304 HydrophobicContact CD1-CD2 4.03Å; I278-F304 HydrophobicContact CD1-CE1 4.33Å; I278-F304 HydrophobicContact CD1-CE2 3.56Å; I278-F304 HydrophobicContact CD1-CZ 3.76Å; I278-F304 HydrophobicContact CG1-CE1 4.32Å; I278-F304 HydrophobicContact CG1-CE2 3.57Å; I278-F304 HydrophobicContact CG1-CZ 3.48Å; I278-F304 VanDerWaalsContact CG1-CZ 3.48Å; I278-F304 HydrophobicContact CG2-CE1 4.17Å; I278-F304 HydrophobicContact CG2-CZ 4Å; I278-I313 HydrophobicContact CD1-CD1 4.37Å; I278-I313 HydrophobicContact CD1-CG2 4.33Å; I278-I313 HydrophobicContact CG2-CG2 4.29Å; I278-V316 HydrophobicContact CB-CG1 4.34Å; I278-V316 HydrophobicContact CG2-CG1 3.93Å; I278-L317 HydrophobicContact CG2-CD2 3.79Å; I278-L317 HydrophobicContact CG2-CG 4.02Å
279R97.4Very high98Very high65 Ų6554.5 Ų54.525%0.24526%0.258CS..Hα-helixtrans-62.2-30.8177.9-177.151.7-178751.8113.5V275 Q276 A277 V316 E319 E323V275-R279 PolarHBondContact O-N 3.21Å; Q276-R279 WeakPolarHBondContact O-CB 3.43Å; Q276-R279 PolarHBondContact O-N 3.29Å; A277-R279 VanDerWaalsContact C-N 3.31Å; A277-R279 PolarHBondContact O-N 3.26Å; R279-V316 HydrophobicContact CB-CG1 3.62Å; R279-V316 HydrophobicContact CG-CG1 4.34Å; R279-E319 WeakPolarHBondContact CD-OE2 3.47Å; R279-E319 IonicContact CZ-OE2 3.54Å; R279-E319 VanDerWaalsContact NE-CB 3.32Å; R279-E319 IonicContact NE-OE2 3.69Å; R279-E319 PolarHBondContact NE-OE2 2.9Å; R279-E319 IonicContact NH2-OE2 3.52Å; R279-E323 IonicContact CZ-OE1 3.03Å; R279-E323 IonicContact CZ-OE2 3.53Å; R279-E323 VanDerWaalsContact NH1-CD 3.34Å; R279-E323 IonicContact NH1-OE1 2.8Å; R279-E323 IonicContact NH1-OE2 3.23Å; R279-E323 PolarHBondContact NH1-OE2 3.45Å; R279-E323 IonicContact NH2-OE1 3.39Å; R279-E323 PolarHBondContact NH2-OE1 3.16Å; R279-E323 IonicContact NH2-OE2 2.69Å; R279-E323 PolarHBondContact NH2-OE2 3.08Å
280K97.1Very high98Very high130 Ų13053.8 Ų53.857%0.56526%0.255SS*.Hα-helixtrans-91.2-37.3-177.5-174.7173.6178.768.50113.6Q276 A277 I278 W320Q276-K280 PolarHBondContact O-N 3.19Å; Q276-K280 VanDerWaalsContact O-N 3.09Å; A277-K280 PolarHBondContact O-N 3.42Å; I278-K280 PolarHBondContact O-N 3Å; K280-W320 PolarHBondContact O-NE1 2.89Å; K280-W320 VanDerWaalsContact O-NE1 3.13Å
281Y97.5Very high97.9Very high82 Ų8255.9 Ų55.932%0.32227%0.268SS..Hα-helixtrans-115.3-3.1-169.9-58.1-73.1000113.6A277 R283 D284 A287 V291A277-Y281 HydrophobicContact CB-CD2 4.1Å; A277-Y281 HydrophobicContact CB-CE2 4.5Å; A277-Y281 WeakPolarHBondContact O-CB 3.42Å; A277-Y281 WeakPolarHBondContact O-CD2 3.32Å; A277-Y281 PolarHBondContact O-N 3.42Å; Y281-R283 PolarHBondContact O-N 3.34Å; Y281-R283 VanDerWaalsContact O-N 3.07Å; Y281-D284 PolarHBondContact O-N 3.35Å; Y281-D284 VanDerWaalsContact O-N 3.09Å; Y281-A287 HydrophobicContact CD1-CB 3.81Å; Y281-A287 HydrophobicContact CD2-CB 4.39Å; Y281-A287 HydrophobicContact CE1-CB 4.24Å; Y281-A287 HydrophobicContact CG-CB 3.9Å; Y281-V291 HydrophobicContact CD2-CG2 4.49Å; Y281-V291 HydrophobicContact CE2-CG2 3.71Å
282G96.7Very high97.9Very high0 Ų055 Ų550%026%0.264CS..THydrogen-bonded Turntrans61.5-111.5179.400000112I278I278-G282 VanDerWaalsContact O-CA 3.23Å; I278-G282 WeakPolarHBondContact O-CA 3.27Å; I278-G282 PolarHBondContact O-N 3.01Å
283R97.4Very high97.8Very high118 Ų11852.1 Ų52.145%0.44526%0.257SS..THydrogen-bonded Turntrans-105.813-178.6-64178.6-177.481-4.1113.6Y281 F285 L317 E321Y281-R283 PolarHBondContact O-N 3.34Å; Y281-R283 VanDerWaalsContact O-N 3.07Å; R283-F285 HydrophobicContact CB-CE2 4.49Å; R283-F285 HydrophobicContact CB-CZ 4.2Å; R283-F285 WeakPolarHBondContact O-CD2 3.31Å; R283-F285 WeakPolarHBondContact O-CE2 3.42Å; R283-F285 WeakPolarHBondContact O-CG 3.35Å; R283-F285 PolarHBondContact O-N 3.16Å; R283-L317 HydrophobicContact CG-CD2 3.99Å; R283-E321 IonicContact CZ-OE1 2.73Å; R283-E321 IonicContact NH1-OE1 2.73Å; R283-E321 PolarHBondContact NH1-OE1 3Å; R283-E321 IonicContact NH2-OE1 3.11Å; R283-E321 PolarHBondContact NH2-OE1 3.31Å
284D98Very high97.7Very high81 Ų8149.8 Ų49.843%0.43325%0.245SC..  trans-7285.1169.2-170.9-16000110.1Y281 Q286 A287 I288Y281-D284 PolarHBondContact O-N 3.35Å; Y281-D284 VanDerWaalsContact O-N 3.09Å; D284-Q286 PolarHBondContact O-N 2.79Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.45Å; D284-Q286 PolarHBondContact OD1-N 3.02Å; D284-A287 HydrophobicContact CB-CB 4.03Å; D284-A287 PolarHBondContact O-N 3.34Å; D284-A287 PolarHBondContact OD1-N 3.1Å; D284-I288 WeakPolarHBondContact O-CD1 3.47Å; D284-I288 VanDerWaalsContact O-CG1 3.25Å; D284-I288 WeakPolarHBondContact O-CG1 3.49Å; D284-I288 PolarHBondContact O-N 3.37Å
285F98.3Very high97.7Very high53 Ų5349.7 Ų49.723%0.23225%0.245CC..Hα-helixtrans-63.6-23.3-179.3-53.4-65.2000112.7R283 S289 V297 V300 K301 F304R283-F285 HydrophobicContact CB-CE2 4.49Å; R283-F285 HydrophobicContact CB-CZ 4.2Å; R283-F285 WeakPolarHBondContact O-CD2 3.31Å; R283-F285 WeakPolarHBondContact O-CE2 3.42Å; R283-F285 WeakPolarHBondContact O-CG 3.35Å; R283-F285 PolarHBondContact O-N 3.16Å; F285-S289 VanDerWaalsContact O-CB 3.23Å; F285-S289 WeakPolarHBondContact O-CB 3.48Å; F285-S289 PolarHBondContact O-N 3.41Å; F285-V297 HydrophobicContact CB-CG1 3.79Å; F285-V300 HydrophobicContact CB-CG1 4.5Å; F285-V300 HydrophobicContact CD1-CG1 4.09Å; F285-K301 HydrophobicContact CD1-CG 3.88Å; F285-K301 HydrophobicContact CD2-CD 4.36Å; F285-K301 HydrophobicContact CD2-CG 4.05Å; F285-K301 HydrophobicContact CE1-CG 4.03Å; F285-K301 HydrophobicContact CE2-CG 4.19Å; F285-K301 HydrophobicContact CG-CG 3.88Å; F285-K301 HydrophobicContact CZ-CG 4.19Å; F285-F304 HydrophobicContact CD1-CD2 4.39Å; F285-F304 AromaticContact CD1-CE2 3.95Å; F285-F304 HydrophobicContact CD1-CE2 3.95Å; F285-F304 HydrophobicContact CD1-CZ 4.22Å; F285-F304 HydrophobicContact CE1-CD1 4.32Å; F285-F304 HydrophobicContact CE1-CD2 4.03Å; F285-F304 HydrophobicContact CE1-CE1 4.09Å; F285-F304 AromaticContact CE1-CE2 3.78Å; F285-F304 HydrophobicContact CE1-CE2 3.78Å; F285-F304 HydrophobicContact CE1-CG 4.27Å; F285-F304 AromaticContact CE1-CZ 3.79Å; F285-F304 HydrophobicContact CE1-CZ 3.79Å
286Q98.3Very high97.7Very high96 Ų9649.6 Ų49.645%0.44925%0.245SC..Hα-helixtrans-74.1-51.1177-174.561.254.800109.7D284 I288 S289 D290 V297D284-Q286 PolarHBondContact O-N 2.79Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.45Å; D284-Q286 PolarHBondContact OD1-N 3.02Å; Q286-I288 VanDerWaalsContact C-N 3.27Å; Q286-I288 PolarHBondContact O-N 3.29Å; Q286-S289 WeakPolarHBondContact O-CA 3.49Å; Q286-S289 VanDerWaalsContact O-CB 3.23Å; Q286-S289 WeakPolarHBondContact O-CB 3.32Å; Q286-S289 PolarHBondContact O-N 3.48Å; Q286-D290 PolarHBondContact NE2-OD1 2.95Å; Q286-D290 PolarHBondContact NE2-OD2 3.25Å; Q286-D290 PolarHBondContact O-N 2.91Å; Q286-V297 VanDerWaalsContact OE1-CG2 3.26Å
287A98.3Very high97.7Very high17 Ų1745.5 Ų45.514%0.1423%0.229CC..Hα-helixtrans-57.4-41.3176.100000112.1Y281 D284 D290 V291Y281-A287 HydrophobicContact CD1-CB 3.81Å; Y281-A287 HydrophobicContact CD2-CB 4.39Å; Y281-A287 HydrophobicContact CE1-CB 4.24Å; Y281-A287 HydrophobicContact CG-CB 3.9Å; D284-A287 HydrophobicContact CB-CB 4.03Å; D284-A287 PolarHBondContact O-N 3.34Å; D284-A287 PolarHBondContact OD1-N 3.1Å; A287-D290 PolarHBondContact O-N 3.17Å; A287-V291 VanDerWaalsContact O-CG2 3.25Å; A287-V291 WeakPolarHBondContact O-CG2 3.42Å; A287-V291 PolarHBondContact O-N 3.49Å
288I98.4Very high97.7Very high0 Ų049.8 Ų49.80%025%0.254CS..Hα-helixtrans-64.2-41.9176.2-62.8162.6000111.1A277 I278 D284 Q286 D290 V291 I292 V300 F304A277-I288 HydrophobicContact CB-CB 4.24Å; A277-I288 HydrophobicContact CB-CG1 3.94Å; A277-I288 HydrophobicContact CB-CG2 3.96Å; I278-I288 HydrophobicContact CG1-CD1 3.92Å; D284-I288 WeakPolarHBondContact O-CD1 3.47Å; D284-I288 VanDerWaalsContact O-CG1 3.25Å; D284-I288 WeakPolarHBondContact O-CG1 3.49Å; D284-I288 PolarHBondContact O-N 3.37Å; Q286-I288 VanDerWaalsContact C-N 3.27Å; Q286-I288 PolarHBondContact O-N 3.29Å; I288-D290 VanDerWaalsContact C-N 3.33Å; I288-D290 PolarHBondContact O-N 3.33Å; I288-V291 PolarHBondContact O-N 3.36Å; I288-I292 HydrophobicContact CG2-CD1 3.82Å; I288-I292 WeakPolarHBondContact O-CD1 3.25Å; I288-I292 VanDerWaalsContact O-CG1 3.28Å; I288-I292 WeakPolarHBondContact O-CG1 3.29Å; I288-I292 PolarHBondContact O-N 3.32Å; I288-V300 HydrophobicContact CB-CG1 3.98Å; I288-V300 HydrophobicContact CD1-CG1 4.48Å; I288-V300 HydrophobicContact CG2-CG1 3.51Å; I288-V300 HydrophobicContact CG2-CG2 4.17Å; I288-F304 HydrophobicContact CD1-CE2 3.96Å; I288-F304 HydrophobicContact CD1-CZ 3.91Å
289S97.9Very high97.7Very high6 Ų651.5 Ų51.54%0.04226%0.262CS..Hα-helixtrans-58.9-44.9175.5-161.40000111.3F285 Q286 I292 G293 K295 V297F285-S289 VanDerWaalsContact O-CB 3.23Å; F285-S289 WeakPolarHBondContact O-CB 3.48Å; F285-S289 PolarHBondContact O-N 3.41Å; Q286-S289 WeakPolarHBondContact O-CA 3.49Å; Q286-S289 VanDerWaalsContact O-CB 3.23Å; Q286-S289 WeakPolarHBondContact O-CB 3.32Å; Q286-S289 PolarHBondContact O-N 3.48Å; S289-I292 PolarHBondContact O-N 3.18Å; S289-G293 PolarHBondContact O-N 3.29Å; S289-K295 PolarHBondContact OG-O 2.77Å; S289-V297 PolarHBondContact OG-N 2.85Å
290D97.1Very high97.7Very high103 Ų10348.5 Ų48.555%0.55125%0.251SS*.Hα-helixtrans-70-37.5-177.2-62.5-20.1000111.9Q286 A287 I288 G293Q286-D290 PolarHBondContact NE2-OD1 2.95Å; Q286-D290 PolarHBondContact NE2-OD2 3.25Å; Q286-D290 PolarHBondContact O-N 2.91Å; A287-D290 PolarHBondContact O-N 3.17Å; I288-D290 VanDerWaalsContact C-N 3.33Å; I288-D290 PolarHBondContact O-N 3.33Å; D290-G293 PolarHBondContact O-N 3.28Å
291V97.3Very high97.8Very high63 Ų6347.2 Ų47.238%0.38225%0.246SC..Hα-helixtrans-64.3-39.7174.91690000111.8A277 Y281 A287 I288A277-V291 HydrophobicContact CB-CB 4.39Å; A277-V291 HydrophobicContact CB-CG1 4.14Å; Y281-V291 HydrophobicContact CD2-CG2 4.49Å; Y281-V291 HydrophobicContact CE2-CG2 3.71Å; A287-V291 VanDerWaalsContact O-CG2 3.25Å; A287-V291 WeakPolarHBondContact O-CG2 3.42Å; A287-V291 PolarHBondContact O-N 3.49Å; I288-V291 PolarHBondContact O-N 3.36Å
292I97.4Very high97.8Very high12 Ų1247.4 Ų47.46%0.06225%0.252CS..Hα-helixtrans-76.7-29.7177.2-57.7161.4000110.6W266 E270 A274 I288 S289 N294 K295 V300W266-I292 HydrophobicContact CH2-CD1 3.88Å; W266-I292 HydrophobicContact CZ3-CD1 3.94Å; E270-I292 HydrophobicContact CB-CG2 4.34Å; E270-I292 HydrophobicContact CG-CG2 4.23Å; A274-I292 HydrophobicContact CB-CD1 3.79Å; I288-I292 HydrophobicContact CG2-CD1 3.82Å; I288-I292 WeakPolarHBondContact O-CD1 3.25Å; I288-I292 VanDerWaalsContact O-CG1 3.28Å; I288-I292 WeakPolarHBondContact O-CG1 3.29Å; I288-I292 PolarHBondContact O-N 3.32Å; S289-I292 PolarHBondContact O-N 3.18Å; I292-N294 PolarHBondContact O-N 3.04Å; I292-K295 HydrophobicContact CB-CB 4.42Å; I292-K295 HydrophobicContact CB-CG 4.4Å; I292-K295 HydrophobicContact CG2-CB 4.03Å; I292-K295 HydrophobicContact CG2-CG 3.51Å; I292-V300 HydrophobicContact CD1-CG2 4.22Å
293G96.6Very high97.9Very high31 Ų3147.5 Ų47.532%0.3225%0.252SS..SBendtrans77.8-37.317300000115.1S289 D290S289-G293 PolarHBondContact O-N 3.29Å; D290-G293 PolarHBondContact O-N 3.28Å
294N97.3Very high97.9Very high24 Ų2442.9 Ų42.913%0.12824%0.236CC..SBendtrans-116.315.9-175.377.51.8000114.4Q260 F262 N263 E270 I292Q260-N294 HydrophobicContact CB-CB 4.39Å; F262-N294 CarbonylContact C-O 3.38Å; F262-N294 VanDerWaalsContact CA-O 3.32Å; F262-N294 WeakPolarHBondContact CA-O 3.46Å; N263-N294 PolarHBondContact N-O 3.25Å; E270-N294 PolarHBondContact OE1-ND2 3.16Å; E270-N294 PolarHBondContact OE1-OD1 3.16Å; I292-N294 PolarHBondContact O-N 3.04Å
295K98.1Very high97.9Very high0 Ų044.2 Ų44.20%025%0.247CC..SBendtrans-117.3141.4172.6-63.7-66.4179.7-72.90108.8F262 N263 R265 W266 E270 S289 I292 Q299 V300F262-K295 VanDerWaalsContact CD1-C 3.45Å; F262-K295 WeakPolarHBondContact CE1-O 3.46Å; N263-K295 VanDerWaalsContact O-CD 3.26Å; N263-K295 WeakPolarHBondContact O-CD 3.33Å; N263-K295 WeakPolarHBondContact O-CE 3.35Å; N263-K295 PolarHBondContact O-NZ 3.45Å; R265-K295 VanDerWaalsContact O-CE 3.3Å; R265-K295 WeakPolarHBondContact O-CE 3.33Å; R265-K295 PolarHBondContact O-NZ 2.94Å; W266-K295 HydrophobicContact CD2-CD 4.19Å; W266-K295 HydrophobicContact CE3-CD 4.42Å; W266-K295 HydrophobicContact CE3-CG 4.43Å; W266-K295 HydrophobicContact CH2-CB 4.15Å; W266-K295 HydrophobicContact CH2-CD 3.99Å; W266-K295 HydrophobicContact CH2-CG 3.59Å; W266-K295 HydrophobicContact CZ2-CB 4.33Å; W266-K295 HydrophobicContact CZ2-CD 3.68Å; W266-K295 HydrophobicContact CZ2-CG 3.8Å; W266-K295 HydrophobicContact CZ3-CD 4.33Å; W266-K295 HydrophobicContact CZ3-CG 3.91Å; E270-K295 IonicContact OE1-NZ 2.75Å; E270-K295 PolarHBondContact OE1-NZ 2.84Å; E270-K295 VanDerWaalsContact OE1-NZ 3.11Å; E270-K295 WeakPolarHBondContact OE2-CE 3.44Å; E270-K295 IonicContact OE2-NZ 2.71Å; E270-K295 PolarHBondContact OE2-NZ 3.19Å; S289-K295 PolarHBondContact OG-O 2.77Å; I292-K295 HydrophobicContact CB-CB 4.42Å; I292-K295 HydrophobicContact CB-CG 4.4Å; I292-K295 HydrophobicContact CG2-CB 4.03Å; I292-K295 HydrophobicContact CG2-CG 3.51Å; K295-Q299 HydrophobicContact CB-CB 4.4Å; K295-Q299 HydrophobicContact CD-CB 4.39Å; K295-V300 HydrophobicContact CB-CG2 4.29Å
296S97.8Very high97.9Very high31 Ų3146.9 Ų46.922%0.21726%0.263CS..  trans-84159.3173.4740000111V298 Q299 V300S296-V298 PolarHBondContact O-N 3.48Å; S296-V298 VanDerWaalsContact O-N 3.1Å; S296-Q299 WeakPolarHBondContact O-CA 3.44Å; S296-Q299 WeakPolarHBondContact O-CB 3.42Å; S296-Q299 PolarHBondContact O-N 3.32Å; S296-Q299 WeakPolarHBondContact OG-CG 3.32Å; S296-Q299 PolarHBondContact OG-N 2.79Å; S296-Q299 PolarHBondContact OG-OE1 3.06Å; S296-V300 PolarHBondContact O-N 2.96Å
297V98.2Very high97.8Very high39 Ų3943.9 Ų43.924%0.23625%0.248CC..Hα-helixtrans-50.4-37.9175175.60000112.5F285 Q286 S289 V300 K301F285-V297 HydrophobicContact CB-CG1 3.79Å; Q286-V297 VanDerWaalsContact OE1-CG2 3.26Å; S289-V297 PolarHBondContact OG-N 2.85Å; V297-V300 PolarHBondContact O-N 3.07Å; V297-K301 WeakPolarHBondContact O-CG 3.47Å; V297-K301 PolarHBondContact O-N 3.47Å
298V98.2Very high97.8Very high92 Ų9249 Ų4956%0.55826%0.264SS*.Hα-helixtrans-68.4-41.6177.8178.30000111.1S296 V300 K301 N302S296-V298 PolarHBondContact O-N 3.48Å; S296-V298 VanDerWaalsContact O-N 3.1Å; V298-V300 VanDerWaalsContact C-N 3.31Å; V298-V300 PolarHBondContact O-N 3.45Å; V298-K301 PolarHBondContact O-N 2.96Å; V298-N302 VanDerWaalsContact O-CG 3.32Å; V298-N302 PolarHBondContact O-N 3.22Å; V298-N302 PolarHBondContact O-ND2 3.17Å
299Q98.2Very high97.7Very high39 Ų3960 Ų6018%0.18231%0.305CS..Hα-helixtrans-64.8-37.1176.1-67.8171.3-44.300111.5N263 W266 K295 S296 N302 F303N263-Q299 PolarHBondContact O-NE2 3Å; W266-Q299 HydrophobicContact CZ2-CB 4.4Å; K295-Q299 HydrophobicContact CB-CB 4.4Å; K295-Q299 HydrophobicContact CD-CB 4.39Å; S296-Q299 WeakPolarHBondContact O-CA 3.44Å; S296-Q299 WeakPolarHBondContact O-CB 3.42Å; S296-Q299 PolarHBondContact O-N 3.32Å; S296-Q299 WeakPolarHBondContact OG-CG 3.32Å; S296-Q299 PolarHBondContact OG-N 2.79Å; S296-Q299 PolarHBondContact OG-OE1 3.06Å; Q299-N302 PolarHBondContact O-N 3.36Å; Q299-F303 PolarHBondContact O-N 3.22Å
300V98.6Very high97.7Very high2 Ų267.1 Ų67.11%0.01233%0.331CS..Hα-helixtrans-63.7-47.6173.4177.20000110.8F285 I288 I292 K295 S296 V297 V298 N302 F303 F304F285-V300 HydrophobicContact CB-CG1 4.5Å; F285-V300 HydrophobicContact CD1-CG1 4.09Å; I288-V300 HydrophobicContact CB-CG1 3.98Å; I288-V300 HydrophobicContact CD1-CG1 4.48Å; I288-V300 HydrophobicContact CG2-CG1 3.51Å; I288-V300 HydrophobicContact CG2-CG2 4.17Å; I292-V300 HydrophobicContact CD1-CG2 4.22Å; K295-V300 HydrophobicContact CB-CG2 4.29Å; S296-V300 PolarHBondContact O-N 2.96Å; V297-V300 PolarHBondContact O-N 3.07Å; V298-V300 VanDerWaalsContact C-N 3.31Å; V298-V300 PolarHBondContact O-N 3.45Å; V300-N302 VanDerWaalsContact C-N 3.29Å; V300-N302 PolarHBondContact O-N 3.21Å; V300-F303 WeakPolarHBondContact O-CA 3.22Å; V300-F303 VanDerWaalsContact O-CB 3.25Å; V300-F303 WeakPolarHBondContact O-CB 3.39Å; V300-F303 PolarHBondContact O-N 3.36Å; V300-F304 HydrophobicContact CG1-CD2 4.28Å; V300-F304 HydrophobicContact CG1-CE2 3.97Å; V300-F304 WeakPolarHBondContact O-CD2 3.46Å; V300-F304 PolarHBondContact O-N 2.95Å; V300-F304 VanDerWaalsContact O-N 3.14Å
301K98.3Very high97.7Very high103 Ų10364.9 Ų64.945%0.44832%0.317SS..Hα-helixtrans-58.3-41.4175.2-73177.3-179.7-177.50112.4F285 V297 V298 F303 F304 V305F285-K301 HydrophobicContact CD1-CG 3.88Å; F285-K301 HydrophobicContact CD2-CD 4.36Å; F285-K301 HydrophobicContact CD2-CG 4.05Å; F285-K301 HydrophobicContact CE1-CG 4.03Å; F285-K301 HydrophobicContact CE2-CG 4.19Å; F285-K301 HydrophobicContact CG-CG 3.88Å; F285-K301 HydrophobicContact CZ-CG 4.19Å; V297-K301 WeakPolarHBondContact O-CG 3.47Å; V297-K301 PolarHBondContact O-N 3.47Å; V298-K301 PolarHBondContact O-N 2.96Å; K301-F303 VanDerWaalsContact C-N 3.3Å; K301-F303 PolarHBondContact O-N 3.45Å; K301-F304 WeakPolarHBondContact O-CB 3.29Å; K301-F304 PolarHBondContact O-N 3.35Å; K301-V305 PolarHBondContact O-N 3.46Å
302N98.2Very high97.7Very high85 Ų8565.6 Ų65.646%0.45532%0.318SS..Hα-helixtrans-65.4-34.6175.2-70.8-17.3000112V298 Q299 V300 F304 V305 N306V298-N302 VanDerWaalsContact O-CG 3.32Å; V298-N302 PolarHBondContact O-N 3.22Å; V298-N302 PolarHBondContact O-ND2 3.17Å; Q299-N302 PolarHBondContact O-N 3.36Å; V300-N302 VanDerWaalsContact C-N 3.29Å; V300-N302 PolarHBondContact O-N 3.21Å; N302-F304 VanDerWaalsContact C-N 3.35Å; N302-F304 PolarHBondContact O-N 3.23Å; N302-V305 PolarHBondContact O-N 2.9Å; N302-N306 WeakPolarHBondContact O-CB 3.38Å; N302-N306 PolarHBondContact O-N 3.18Å; N302-N306 PolarHBondContact O-ND2 3.4Å
303F98.4Very high97.7Very high2 Ų265.2 Ų65.21%0.00932%0.316CS..Hα-helixtrans-59.8-44.3174.7179.9-91000111.6W266 Q271 A274 V275 I278 Q299 V300 K301 V305 N306 Y307 F311 I313W266-F303 AromaticContact CD2-CD2 3.96Å; W266-F303 HydrophobicContact CD2-CD2 3.96Å; W266-F303 HydrophobicContact CD2-CE2 4.48Å; W266-F303 AromaticContact CE2-CD2 3.93Å; W266-F303 AromaticContact CE3-CD2 4Å; W266-F303 HydrophobicContact CE3-CD2 4Å; W266-F303 HydrophobicContact CE3-CE2 4.23Å; W266-F303 HydrophobicContact CH2-CB 4.04Å; W266-F303 AromaticContact CH2-CD2 3.97Å; W266-F303 HydrophobicContact CH2-CD2 3.97Å; W266-F303 HydrophobicContact CH2-CG 4.06Å; W266-F303 HydrophobicContact CZ2-CB 3.72Å; W266-F303 AromaticContact CZ2-CD2 3.95Å; W266-F303 HydrophobicContact CZ2-CD2 3.95Å; W266-F303 HydrophobicContact CZ2-CG 4.1Å; W266-F303 AromaticContact CZ3-CD2 4Å; W266-F303 HydrophobicContact CZ3-CD2 4Å; W266-F303 HydrophobicContact CZ3-CE2 4.36Å; W266-F303 HydrophobicContact CZ3-CG 4.45Å; Q271-F303 HydrophobicContact CB-CE2 4.18Å; Q271-F303 HydrophobicContact CB-CZ 4.37Å; Q271-F303 HydrophobicContact CG-CE2 3.94Å; A274-F303 HydrophobicContact CB-CD1 4.11Å; A274-F303 HydrophobicContact CB-CE1 3.68Å; A274-F303 HydrophobicContact CB-CE2 4.45Å; A274-F303 HydrophobicContact CB-CZ 3.87Å; V275-F303 HydrophobicContact CG2-CE1 4.49Å; V275-F303 HydrophobicContact CG2-CZ 4.39Å; I278-F303 HydrophobicContact CD1-CD1 4.23Å; I278-F303 HydrophobicContact CD1-CE1 4.05Å; Q299-F303 PolarHBondContact O-N 3.22Å; V300-F303 WeakPolarHBondContact O-CA 3.22Å; V300-F303 VanDerWaalsContact O-CB 3.25Å; V300-F303 WeakPolarHBondContact O-CB 3.39Å; V300-F303 PolarHBondContact O-N 3.36Å; K301-F303 VanDerWaalsContact C-N 3.3Å; K301-F303 PolarHBondContact O-N 3.45Å; F303-V305 PolarHBondContact O-N 2.98Å; F303-N306 PolarHBondContact O-N 3.44Å; F303-Y307 HydrophobicContact CB-CD2 4.5Å; F303-Y307 AromaticContact CD2-CD2 3.29Å; F303-Y307 HydrophobicContact CD2-CD2 3.29Å; F303-Y307 AromaticContact CD2-CE2 3.62Å; F303-Y307 HydrophobicContact CD2-CE2 3.62Å; F303-Y307 AromaticContact CD2-CG 3.86Å; F303-Y307 HydrophobicContact CD2-CG 3.86Å; F303-Y307 AromaticContact CE2-CD1 3.97Å; F303-Y307 HydrophobicContact CE2-CD1 3.97Å; F303-Y307 AromaticContact CE2-CD2 3.51Å; F303-Y307 HydrophobicContact CE2-CD2 3.51Å; F303-Y307 HydrophobicContact CE2-CE1 4.28Å; F303-Y307 AromaticContact CE2-CE2 3.9Å; F303-Y307 HydrophobicContact CE2-CE2 3.9Å; F303-Y307 AromaticContact CE2-CG 3.57Å; F303-Y307 HydrophobicContact CE2-CG 3.57Å; F303-Y307 AromaticContact CG-CD2 3.96Å; F303-Y307 HydrophobicContact CG-CD2 3.96Å; F303-Y307 HydrophobicContact CZ-CD2 4.36Å; F303-Y307 HydrophobicContact CZ-CG 4.08Å; F303-Y307 WeakPolarHBondContact O-CB 3.36Å; F303-Y307 PolarHBondContact O-N 3.27Å; F303-F311 HydrophobicContact CE1-CD2 4.36Å; F303-F311 HydrophobicContact CE2-CD2 4.41Å; F303-F311 HydrophobicContact CE2-CE2 4.05Å; F303-F311 AromaticContact CZ-CD2 3.67Å; F303-F311 HydrophobicContact CZ-CD2 3.67Å; F303-F311 AromaticContact CZ-CE2 3.66Å; F303-F311 HydrophobicContact CZ-CE2 3.66Å; F303-I313 HydrophobicContact CD1-CD1 4.41Å; F303-I313 HydrophobicContact CE1-CD1 4.22Å
304F98.2Very high97.7Very high21 Ų2167.1 Ų67.19%0.09232%0.319CS..Hα-helixtrans-55.9-39.5176.4-87.2-116.1000112.7I278 F285 I288 V300 K301 N302 R308 I313 L317I278-F304 HydrophobicContact CB-CZ 4.34Å; I278-F304 HydrophobicContact CD1-CD2 4.03Å; I278-F304 HydrophobicContact CD1-CE1 4.33Å; I278-F304 HydrophobicContact CD1-CE2 3.56Å; I278-F304 HydrophobicContact CD1-CZ 3.76Å; I278-F304 HydrophobicContact CG1-CE1 4.32Å; I278-F304 HydrophobicContact CG1-CE2 3.57Å; I278-F304 HydrophobicContact CG1-CZ 3.48Å; I278-F304 VanDerWaalsContact CG1-CZ 3.48Å; I278-F304 HydrophobicContact CG2-CE1 4.17Å; I278-F304 HydrophobicContact CG2-CZ 4Å; F285-F304 HydrophobicContact CD1-CD2 4.39Å; F285-F304 AromaticContact CD1-CE2 3.95Å; F285-F304 HydrophobicContact CD1-CE2 3.95Å; F285-F304 HydrophobicContact CD1-CZ 4.22Å; F285-F304 HydrophobicContact CE1-CD1 4.32Å; F285-F304 HydrophobicContact CE1-CD2 4.03Å; F285-F304 HydrophobicContact CE1-CE1 4.09Å; F285-F304 AromaticContact CE1-CE2 3.78Å; F285-F304 HydrophobicContact CE1-CE2 3.78Å; F285-F304 HydrophobicContact CE1-CG 4.27Å; F285-F304 AromaticContact CE1-CZ 3.79Å; F285-F304 HydrophobicContact CE1-CZ 3.79Å; I288-F304 HydrophobicContact CD1-CE2 3.96Å; I288-F304 HydrophobicContact CD1-CZ 3.91Å; V300-F304 HydrophobicContact CG1-CD2 4.28Å; V300-F304 HydrophobicContact CG1-CE2 3.97Å; V300-F304 WeakPolarHBondContact O-CD2 3.46Å; V300-F304 PolarHBondContact O-N 2.95Å; V300-F304 VanDerWaalsContact O-N 3.14Å; K301-F304 WeakPolarHBondContact O-CB 3.29Å; K301-F304 PolarHBondContact O-N 3.35Å; N302-F304 VanDerWaalsContact C-N 3.35Å; N302-F304 PolarHBondContact O-N 3.23Å; F304-R308 WeakPolarHBondContact O-CA 3.29Å; F304-R308 WeakPolarHBondContact O-CB 3.31Å; F304-R308 PolarHBondContact O-N 3.01Å; F304-I313 HydrophobicContact CD1-CG2 3.79Å; F304-I313 HydrophobicContact CE1-CG2 4.08Å; F304-I313 HydrophobicContact CG-CG2 4.43Å; F304-L317 HydrophobicContact CD1-CD1 4.38Å; F304-L317 HydrophobicContact CE1-CD1 4.01Å; F304-L317 HydrophobicContact CE1-CD2 4.22Å
305V97.8Very high97.7Very high110 Ų11071.2 Ų71.267%0.66734%0.337SS*.Hα-helixtrans-77-50.1180-178.50000110.7K301 N302 F303 Y307K301-V305 PolarHBondContact O-N 3.46Å; N302-V305 PolarHBondContact O-N 2.9Å; F303-V305 PolarHBondContact O-N 2.98Å; V305-Y307 VanDerWaalsContact C-N 3.33Å; V305-Y307 PolarHBondContact O-N 2.83Å
306N97Very high97.7Very high108 Ų10872.1 Ų72.158%0.57834%0.343SS*.Hα-helixtrans-72.5-24.7-171.9-67.5-18.1000113.9N302 F303 R310N302-N306 WeakPolarHBondContact O-CB 3.38Å; N302-N306 PolarHBondContact O-N 3.18Å; N302-N306 PolarHBondContact O-ND2 3.4Å; F303-N306 PolarHBondContact O-N 3.44Å; N306-R310 PolarHBondContact O-NH2 3.48Å
307Y97.1Very high97.6Very high33 Ų3370.9 Ų70.913%0.12933%0.334CS..THydrogen-bonded Turntrans-114.86-178.3-64.2-100.2000113F303 V305 R309 R310 F311F303-Y307 HydrophobicContact CB-CD2 4.5Å; F303-Y307 AromaticContact CD2-CD2 3.29Å; F303-Y307 HydrophobicContact CD2-CD2 3.29Å; F303-Y307 AromaticContact CD2-CE2 3.62Å; F303-Y307 HydrophobicContact CD2-CE2 3.62Å; F303-Y307 AromaticContact CD2-CG 3.86Å; F303-Y307 HydrophobicContact CD2-CG 3.86Å; F303-Y307 AromaticContact CE2-CD1 3.97Å; F303-Y307 HydrophobicContact CE2-CD1 3.97Å; F303-Y307 AromaticContact CE2-CD2 3.51Å; F303-Y307 HydrophobicContact CE2-CD2 3.51Å; F303-Y307 HydrophobicContact CE2-CE1 4.28Å; F303-Y307 AromaticContact CE2-CE2 3.9Å; F303-Y307 HydrophobicContact CE2-CE2 3.9Å; F303-Y307 AromaticContact CE2-CG 3.57Å; F303-Y307 HydrophobicContact CE2-CG 3.57Å; F303-Y307 AromaticContact CG-CD2 3.96Å; F303-Y307 HydrophobicContact CG-CD2 3.96Å; F303-Y307 HydrophobicContact CZ-CD2 4.36Å; F303-Y307 HydrophobicContact CZ-CG 4.08Å; F303-Y307 WeakPolarHBondContact O-CB 3.36Å; F303-Y307 PolarHBondContact O-N 3.27Å; V305-Y307 VanDerWaalsContact C-N 3.33Å; V305-Y307 PolarHBondContact O-N 2.83Å; Y307-R309 VanDerWaalsContact C-N 3.33Å; Y307-R309 PolarHBondContact O-N 3.42Å; Y307-R310 VanDerWaalsContact CE1-NH1 3.34Å; Y307-R310 VanDerWaalsContact CZ-NH2 3.27Å; Y307-R310 PolarHBondContact O-N 3.33Å; Y307-F311 AromaticContact CD1-CD2 3.93Å; Y307-F311 HydrophobicContact CD1-CD2 3.93Å; Y307-F311 AromaticContact CD1-CE2 3.36Å; Y307-F311 HydrophobicContact CD1-CE2 3.36Å; Y307-F311 HydrophobicContact CD1-CZ 4.2Å; Y307-F311 HydrophobicContact CE1-CE2 4.12Å; Y307-F311 HydrophobicContact CG-CD2 4.17Å; Y307-F311 AromaticContact CG-CE2 3.98Å; Y307-F311 HydrophobicContact CG-CE2 3.98Å; Y307-F311 PolarHBondContact O-N 3.4Å; Y307-F311 VanDerWaalsContact O-N 3.13Å
308R97Very high97.5Very high126 Ų12675.3 Ų75.348%0.47535%0.352SS..THydrogen-bonded Turntrans-43.6-54.3-177.5-166.1177.4172.2100.4-9.2113.7F304 N312 I313 D314F304-R308 WeakPolarHBondContact O-CA 3.29Å; F304-R308 WeakPolarHBondContact O-CB 3.31Å; F304-R308 PolarHBondContact O-N 3.01Å; R308-N312 PolarHBondContact O-N 2.83Å; R308-I313 PolarHBondContact O-N 3.26Å; R308-D314 IonicContact CZ-OD1 3.73Å; R308-D314 IonicContact CZ-OD2 3.98Å; R308-D314 IonicContact NE-OD1 4Å; R308-D314 PolarHBondContact NE-OD1 3.37Å; R308-D314 IonicContact NE-OD2 2.92Å; R308-D314 PolarHBondContact NE-OD2 2.75Å; R308-D314 IonicContact NH1-OD1 3.88Å; R308-D314 PolarHBondContact NH1-OD1 3.29Å; R308-D314 IonicContact NH1-OD2 2.99Å; R308-D314 IonicContact NH2-OD1 3.74Å; R308-D314 PolarHBondContact NH2-OD1 2.95Å; R308-D314 IonicContact NH2-OD2 3.45Å; R308-D314 PolarHBondContact NH2-OD2 3.33Å
309R97.6Very high97.4Very high231 Ų23175.8 Ų75.887%0.87235%0.348SS*.THydrogen-bonded Turntrans-79.8-30.5-176.7-63.5-173.4-176.71741.1113.5Y307Y307-R309 VanDerWaalsContact C-N 3.33Å; Y307-R309 PolarHBondContact O-N 3.42Å
310R96.6Very high97.3Very high155 Ų15576.2 Ų76.259%0.58535%0.348SS*.THydrogen-bonded Turntrans-74.7-30.1-174.5-76.9-170.1-74.5164.6-7.7112.8N306 Y307N306-R310 PolarHBondContact O-NH2 3.48Å; Y307-R310 VanDerWaalsContact CE1-NH1 3.34Å; Y307-R310 VanDerWaalsContact CZ-NH2 3.27Å; Y307-R310 PolarHBondContact O-N 3.33Å
311F97.5Very high97.1Very high56 Ų5678.6 Ų78.625%0.24636%0.359CS..THydrogen-bonded Turntrans-116.617.1179.1-62-50.4000112.9Q271 V275 F303 Y307 I313Q271-F311 HydrophobicContact CB-CE2 4.08Å; Q271-F311 HydrophobicContact CB-CZ 4.06Å; V275-F311 HydrophobicContact CG2-CB 3.77Å; V275-F311 HydrophobicContact CG2-CD1 4.24Å; V275-F311 HydrophobicContact CG2-CD2 3.79Å; V275-F311 HydrophobicContact CG2-CE2 4.44Å; V275-F311 HydrophobicContact CG2-CG 3.7Å; F303-F311 HydrophobicContact CE1-CD2 4.36Å; F303-F311 HydrophobicContact CE2-CD2 4.41Å; F303-F311 HydrophobicContact CE2-CE2 4.05Å; F303-F311 AromaticContact CZ-CD2 3.67Å; F303-F311 HydrophobicContact CZ-CD2 3.67Å; F303-F311 AromaticContact CZ-CE2 3.66Å; F303-F311 HydrophobicContact CZ-CE2 3.66Å; Y307-F311 AromaticContact CD1-CD2 3.93Å; Y307-F311 HydrophobicContact CD1-CD2 3.93Å; Y307-F311 AromaticContact CD1-CE2 3.36Å; Y307-F311 HydrophobicContact CD1-CE2 3.36Å; Y307-F311 HydrophobicContact CD1-CZ 4.2Å; Y307-F311 HydrophobicContact CE1-CE2 4.12Å; Y307-F311 HydrophobicContact CG-CD2 4.17Å; Y307-F311 AromaticContact CG-CE2 3.98Å; Y307-F311 HydrophobicContact CG-CE2 3.98Å; Y307-F311 PolarHBondContact O-N 3.4Å; Y307-F311 VanDerWaalsContact O-N 3.13Å; F311-I313 HydrophobicContact CB-CG1 4.14Å; F311-I313 PolarHBondContact O-N 2.93Å; F311-I313 VanDerWaalsContact O-N 3.1Å
312N97.3Very high96.9Very high78 Ų7877.8 Ų77.842%0.41737%0.372SS..THydrogen-bonded Turntrans4646.5179.3-64.468.5000112.6R308 D314 E315 V316R308-N312 PolarHBondContact O-N 2.83Å; N312-D314 PolarHBondContact O-N 3.1Å; N312-E315 HydrophobicContact CB-CB 4.28Å; N312-E315 HydrophobicContact CB-CG 4.35Å; N312-E315 PolarHBondContact ND2-OE1 3.42Å; N312-E315 WeakPolarHBondContact O-CB 3.3Å; N312-E315 PolarHBondContact O-N 2.86Å; N312-V316 PolarHBondContact O-N 3.12Å; N312-V316 VanDerWaalsContact O-N 3.17Å
313I97.6Very high96.5Very high3 Ų379.5 Ų79.52%0.01538%0.377CS..Hα-helixtrans-57.9-28.6-169.9-61.6-175.3000111.6I278 F303 F304 R308 F311 V316 L317I278-I313 HydrophobicContact CD1-CD1 4.37Å; I278-I313 HydrophobicContact CD1-CG2 4.33Å; I278-I313 HydrophobicContact CG2-CG2 4.29Å; F303-I313 HydrophobicContact CD1-CD1 4.41Å; F303-I313 HydrophobicContact CE1-CD1 4.22Å; F304-I313 HydrophobicContact CD1-CG2 3.79Å; F304-I313 HydrophobicContact CE1-CG2 4.08Å; F304-I313 HydrophobicContact CG-CG2 4.43Å; R308-I313 PolarHBondContact O-N 3.26Å; F311-I313 HydrophobicContact CB-CG1 4.14Å; F311-I313 PolarHBondContact O-N 2.93Å; F311-I313 VanDerWaalsContact O-N 3.1Å; I313-V316 PolarHBondContact O-N 3.44Å; I313-L317 HydrophobicContact CG2-CD1 3.95Å; I313-L317 HydrophobicContact CG2-CG 4.31Å; I313-L317 WeakPolarHBondContact O-CB 3.39Å; I313-L317 VanDerWaalsContact O-CG 3.23Å; I313-L317 WeakPolarHBondContact O-CG 3.43Å; I313-L317 PolarHBondContact O-N 2.84Å
314D97.3Very high95.9Very high71 Ų7184.5 Ų84.538%0.3840%0.4SS..Hα-helixtrans-66-40.9175.7-67.5-29.2000113.2R308 N312 L317 Q318R308-D314 IonicContact CZ-OD1 3.73Å; R308-D314 IonicContact CZ-OD2 3.98Å; R308-D314 IonicContact NE-OD1 4Å; R308-D314 PolarHBondContact NE-OD1 3.37Å; R308-D314 IonicContact NE-OD2 2.92Å; R308-D314 PolarHBondContact NE-OD2 2.75Å; R308-D314 IonicContact NH1-OD1 3.88Å; R308-D314 PolarHBondContact NH1-OD1 3.29Å; R308-D314 IonicContact NH1-OD2 2.99Å; R308-D314 IonicContact NH2-OD1 3.74Å; R308-D314 PolarHBondContact NH2-OD1 2.95Å; R308-D314 IonicContact NH2-OD2 3.45Å; R308-D314 PolarHBondContact NH2-OD2 3.33Å; N312-D314 PolarHBondContact O-N 3.1Å; D314-L317 PolarHBondContact O-N 2.98Å; D314-Q318 WeakPolarHBondContact O-CB 3.24Å; D314-Q318 PolarHBondContact O-N 2.7Å
315E97.4Very high94.6Very high110 Ų11085.2 Ų85.251%0.51441%0.414SS..Hα-helixtrans-67.6-44175.9-67.6166.4-149.700110N312 L317 Q318 E319N312-E315 HydrophobicContact CB-CB 4.28Å; N312-E315 HydrophobicContact CB-CG 4.35Å; N312-E315 PolarHBondContact ND2-OE1 3.42Å; N312-E315 WeakPolarHBondContact O-CB 3.3Å; N312-E315 PolarHBondContact O-N 2.86Å; E315-L317 VanDerWaalsContact C-N 3.28Å; E315-L317 PolarHBondContact O-N 3.44Å; E315-Q318 WeakPolarHBondContact O-CB 3.41Å; E315-Q318 PolarHBondContact O-N 3.35Å; E315-Q318 VanDerWaalsContact O-N 3.09Å; E315-E319 WeakPolarHBondContact O-CG 3.39Å; E315-E319 PolarHBondContact O-N 3.24Å
316V97.4Very high92.7Very high20 Ų2088.8 Ų88.812%0.12142%0.42CS..Hα-helixtrans-58.8-41.1176.6-179.70000111.6V275 I278 R279 N312 I313 W320V275-V316 HydrophobicContact CG1-CG2 4.4Å; I278-V316 HydrophobicContact CB-CG1 4.34Å; I278-V316 HydrophobicContact CG2-CG1 3.93Å; R279-V316 HydrophobicContact CB-CG1 3.62Å; R279-V316 HydrophobicContact CG-CG1 4.34Å; N312-V316 PolarHBondContact O-N 3.12Å; N312-V316 VanDerWaalsContact O-N 3.17Å; I313-V316 PolarHBondContact O-N 3.44Å; V316-W320 PolarHBondContact O-N 3.36Å
317L96.6Very high90.4Very high4 Ų491.5 Ų91.52%0.02143%0.429CS..Hα-helixtrans-69.2-38.2176.1-75168.5000112.1I278 R283 F304 I313 D314 E315 E319 W320 E321I278-L317 HydrophobicContact CG2-CD2 3.79Å; I278-L317 HydrophobicContact CG2-CG 4.02Å; R283-L317 HydrophobicContact CG-CD2 3.99Å; F304-L317 HydrophobicContact CD1-CD1 4.38Å; F304-L317 HydrophobicContact CE1-CD1 4.01Å; F304-L317 HydrophobicContact CE1-CD2 4.22Å; I313-L317 HydrophobicContact CG2-CD1 3.95Å; I313-L317 HydrophobicContact CG2-CG 4.31Å; I313-L317 WeakPolarHBondContact O-CB 3.39Å; I313-L317 VanDerWaalsContact O-CG 3.23Å; I313-L317 WeakPolarHBondContact O-CG 3.43Å; I313-L317 PolarHBondContact O-N 2.84Å; D314-L317 PolarHBondContact O-N 2.98Å; E315-L317 VanDerWaalsContact C-N 3.28Å; E315-L317 PolarHBondContact O-N 3.44Å; L317-E319 VanDerWaalsContact C-N 3.31Å; L317-E319 PolarHBondContact O-N 3.44Å; L317-W320 PolarHBondContact O-N 3.11Å; L317-E321 VanDerWaalsContact O-CG 3.31Å; L317-E321 WeakPolarHBondContact O-CG 3.31Å; L317-E321 PolarHBondContact O-N 3.49Å
318Q96.2Very high87.7Confident132 Ų13299 Ų9962%0.61747%0.465SS*.Hα-helixtrans-62.6-39.4175.9-174.1177.312.500111.6D314 E315 E321 A322D314-Q318 WeakPolarHBondContact O-CB 3.24Å; D314-Q318 PolarHBondContact O-N 2.7Å; E315-Q318 WeakPolarHBondContact O-CB 3.41Å; E315-Q318 PolarHBondContact O-N 3.35Å; E315-Q318 VanDerWaalsContact O-N 3.09Å; Q318-E321 PolarHBondContact O-N 3.22Å; Q318-A322 WeakPolarHBondContact O-CB 3.47Å; Q318-A322 PolarHBondContact O-N 3.06Å
319E95Very high85.1Confident102 Ų10299.2 Ų99.248%0.47748%0.481SS..Hα-helixtrans-63.5-41.6174.2-69.1-178.3-173.500112.1R279 E315 L317 A322 E323R279-E319 WeakPolarHBondContact CD-OE2 3.47Å; R279-E319 IonicContact CZ-OE2 3.54Å; R279-E319 VanDerWaalsContact NE-CB 3.32Å; R279-E319 IonicContact NE-OE2 3.69Å; R279-E319 PolarHBondContact NE-OE2 2.9Å; R279-E319 IonicContact NH2-OE2 3.52Å; E315-E319 WeakPolarHBondContact O-CG 3.39Å; E315-E319 PolarHBondContact O-N 3.24Å; L317-E319 VanDerWaalsContact C-N 3.31Å; L317-E319 PolarHBondContact O-N 3.44Å; E319-A322 PolarHBondContact O-N 3.18Å; E319-E323 PolarHBondContact O-N 3.31Å
320W95.8Very high82Confident49 Ų4995.7 Ų95.719%0.18648%0.479CS..Hα-helixtrans-62-44.6174.4177.883.6000111.8K280 V316 L317 A322 E323 H324K280-W320 PolarHBondContact O-NE1 2.89Å; K280-W320 VanDerWaalsContact O-NE1 3.13Å; V316-W320 PolarHBondContact O-N 3.36Å; L317-W320 PolarHBondContact O-N 3.11Å; W320-A322 VanDerWaalsContact C-N 3.29Å; W320-A322 PolarHBondContact O-N 2.92Å; W320-E323 PolarHBondContact O-N 3.27Å; W320-H324 AromaticContact CD1-CE1 3.74Å; W320-H324 AromaticContact CD1-ND1 3.55Å; W320-H324 AromaticContact CE2-CG 3.97Å; W320-H324 AromaticContact CE2-ND1 3.97Å; W320-H324 HydrophobicContact CZ2-CB 4.19Å; W320-H324 AromaticContact NE1-CE1 3.67Å; W320-H324 AromaticContact NE1-CG 3.8Å; W320-H324 AromaticContact NE1-ND1 3.49Å; W320-H324 PolarHBondContact NE1-ND1 3.3Å; W320-H324 PolarHBondContact O-N 2.92Å; W320-H324 PolarHBondContact O-ND1 2.98Å; W320-H324 VanDerWaalsContact O-ND1 3.08Å
321E94.7Very high79.1Confident52 Ų5291.7 Ų91.724%0.24349%0.487CS..Hα-helixtrans-63.5-33177.6-71.5172-165.300112.3R283 L317 Q318 G325R283-E321 IonicContact CZ-OE1 2.73Å; R283-E321 IonicContact NH1-OE1 2.73Å; R283-E321 PolarHBondContact NH1-OE1 3Å; R283-E321 IonicContact NH2-OE1 3.11Å; R283-E321 PolarHBondContact NH2-OE1 3.31Å; L317-E321 VanDerWaalsContact O-CG 3.31Å; L317-E321 WeakPolarHBondContact O-CG 3.31Å; L317-E321 PolarHBondContact O-N 3.49Å; Q318-E321 PolarHBondContact O-N 3.22Å; E321-G325 CarbonylContact O-C 3.46Å; E321-G325 VanDerWaalsContact O-CA 3.3Å; E321-G325 WeakPolarHBondContact O-CA 3.3Å; E321-G325 PolarHBondContact O-N 3.39Å
322A93.4Very high76Confident86 Ų8695.4 Ų95.471%0.71151%0.514SS*.Hα-helixtrans-69-33.717700000112.7Q318 E319 W320Q318-A322 WeakPolarHBondContact O-CB 3.47Å; Q318-A322 PolarHBondContact O-N 3.06Å; E319-A322 PolarHBondContact O-N 3.18Å; W320-A322 VanDerWaalsContact C-N 3.29Å; W320-A322 PolarHBondContact O-N 2.92Å
323E91.3Very high73Confident121 Ų12198.2 Ų98.257%0.56553%0.529SS*.Hα-helixtrans-83.1-36.5179.1-72.8179.7173.200113.6R279 E319 W320R279-E323 IonicContact CZ-OE1 3.03Å; R279-E323 IonicContact CZ-OE2 3.53Å; R279-E323 VanDerWaalsContact NH1-CD 3.34Å; R279-E323 IonicContact NH1-OE1 2.8Å; R279-E323 IonicContact NH1-OE2 3.23Å; R279-E323 PolarHBondContact NH1-OE2 3.45Å; R279-E323 IonicContact NH2-OE1 3.39Å; R279-E323 PolarHBondContact NH2-OE1 3.16Å; R279-E323 IonicContact NH2-OE2 2.69Å; R279-E323 PolarHBondContact NH2-OE2 3.08Å; E319-E323 PolarHBondContact O-N 3.31Å; W320-E323 PolarHBondContact O-N 3.27Å
324H84.4Confident69.8Low107 Ų107103.1 Ų103.150%0.49556%0.564SS.*Hα-helixtrans-100.2-4.9-173.3-62.875.4000113.1W320W320-H324 AromaticContact CD1-CE1 3.74Å; W320-H324 AromaticContact CD1-ND1 3.55Å; W320-H324 AromaticContact CE2-CG 3.97Å; W320-H324 AromaticContact CE2-ND1 3.97Å; W320-H324 HydrophobicContact CZ2-CB 4.19Å; W320-H324 AromaticContact NE1-CE1 3.67Å; W320-H324 AromaticContact NE1-CG 3.8Å; W320-H324 AromaticContact NE1-ND1 3.49Å; W320-H324 PolarHBondContact NE1-ND1 3.3Å; W320-H324 PolarHBondContact O-N 2.92Å; W320-H324 PolarHBondContact O-ND1 2.98Å; W320-H324 VanDerWaalsContact O-ND1 3.08Å
325G71.7Confident66.8Low36 Ų36108.8 Ų108.837%0.37159%0.588SS.*  trans74.4156.5-171.900000111.8E321 E327E321-G325 CarbonylContact O-C 3.46Å; E321-G325 VanDerWaalsContact O-CA 3.3Å; E321-G325 WeakPolarHBondContact O-CA 3.3Å; E321-G325 PolarHBondContact O-N 3.39Å; G325-E327 VanDerWaalsContact C-N 3.28Å; G325-E327 PolarHBondContact O-N 2.99Å
326K58.6Low63.7Low184 Ų184112.3 Ų112.380%0.860%0.602SS**  trans-7185.4170.8-72.8-176177.6-179.40109.2E328K326-E328 PolarHBondContact O-N 3.46Å
327E48.2Very low60.6Low166 Ų166117.2 Ų117.278%0.77663%0.634SS**  trans-70.6111.9160.2-80.4-164150.400108.2G325 T329G325-E327 VanDerWaalsContact C-N 3.28Å; G325-E327 PolarHBondContact O-N 2.99Å; E327-T329 PolarHBondContact O-N 3.02Å
328E39.7Very low57.7Low189 Ų189123.8 Ų123.888%0.88367%0.674SS**  trans-56.1105.1169.6-70.8-170.1156.500109K326 N330K326-E328 PolarHBondContact O-N 3.46Å; E328-N330 VanDerWaalsContact C-N 3.29Å; E328-N330 PolarHBondContact O-N 3.23Å
329T42Very low54.8Low132 Ų132126.9 Ų126.981%0.8169%0.685SS**  trans-70.389.9169.154.60000108.9E327E327-T329 PolarHBondContact O-N 3.02Å
330N33.6Very low51.9Low156 Ų156127.3 Ų127.383%0.83470%0.7SS**  trans-138.2116152.4-116.9-7000108.9E328 T332E328-N330 VanDerWaalsContact C-N 3.29Å; E328-N330 PolarHBondContact O-N 3.23Å; N330-T332 PolarHBondContact O-N 3.15Å
331G36.4Very low49.3Very low72 Ų72131 Ų13174%0.74273%0.73SS**  trans-59.8135.8-179.700000111.6
332T30.7Very low46.3Very low133 Ų133136.4 Ų136.482%0.81676%0.761SS**  -173.3130128.2-660000108N330 S334N330-T332 PolarHBondContact O-N 3.15Å; T332-S334 PolarHBondContact O-N 3.25Å
333N35.5Very low43.3Very low137 Ų137138.9 Ų138.973%0.73376%0.762SS**  trans-29.7118.1164-17320.4000114.3
334S29.1Very low40.5Very low107 Ų107138.7 Ų138.775%0.74877%0.774SS**  trans-155.484.4155.8-800000109.3T332 K336T332-S334 PolarHBondContact O-N 3.25Å; S334-K336 PolarHBondContact O-N 2.96Å; S334-K336 VanDerWaalsContact O-N 3.07Å
335Q34.4Very low38Very low189 Ų189138.7 Ų138.788%0.88378%0.782SS**  trans-59.4108.4158.5-77.5-176.1-23.400108.5
336K32.8Very low36Very low185 Ų185146.1 Ų146.180%0.80480%0.804SS**PPolyproline II helixtrans-92.4138.6156.9-81.1-175178.4175.70108.5S334 V338S334-K336 PolarHBondContact O-N 2.96Å; S334-K336 VanDerWaalsContact O-N 3.07Å; K336-V338 PolarHBondContact O-N 3.32Å
337P32.9Very low34.6Very low122 Ų122145.5 Ų145.579%0.79281%0.805SS**PPolyproline II helixtrans-74.2128.5-177.930-31000109.9K339P337-K339 PolarHBondContact O-N 3.19Å
338V34.9Very low33.7Very low143 Ų143142.5 Ų142.587%0.86780%0.803SS**PPolyproline II helixtrans-67.3119.5173.2178.80000108.5K336K336-V338 PolarHBondContact O-N 3.32Å
339K36.6Very low33.4Very low196 Ų196142.2 Ų142.285%0.85280%0.802SS**PPolyproline II helixtrans-70.6134.1167.7-79.8179.9174.5-179.20109.2P337P337-K339 PolarHBondContact O-N 3.19Å
340S33.8Very low33.1Very low112 Ų112144.8 Ų144.878%0.78380%0.804SS**PPolyproline II helixtrans-57145.5174-52.50000112.5
341P41.3Very low33.2Very low126 Ų126146.8 Ų146.882%0.81881%0.809SS**PPolyproline II helixtrans-82.6129.316731.1-27.8000110.6
342D30.3Very low33.3Very low166 Ų166151.3 Ų151.389%0.88882%0.816SS**PPolyproline II helixtrans-74.4126.9169.7-149.6-4.4000108.3
343N31.6Very low33.6Very low138 Ų138153.5 Ų153.574%0.73882%0.817SS**  trans-109.5102.6177.7-161.519.3000109.3
344S32.3Very low33.9Very low117 Ų117153.2 Ų153.282%0.81882%0.82SS**  trans-96.294.8170.2-160.80000108.2
345T31.2Very low34.2Very low107 Ų107154.8 Ų154.866%0.65682%0.82SS**  trans-85.5110.3172.8-54.90000109.1
346K31Very low35.2Very low192 Ų192150.8 Ų150.884%0.83581%0.81SS**  trans-85.8114171-158177.8-175.1-176.10107.8
347M28.9Very low35.6Very low170 Ų170153.4 Ų153.484%0.83783%0.831SS**  trans-82.6137.1173.5-74.7-154.168.900110.9
348S29.8Very low35.8Very low103 Ų103155 Ų15572%0.7283%0.833SS**  trans-154.9117167.4-56.30000108.1
349E33.1Very low35.8Very low184 Ų184155.6 Ų155.686%0.8683%0.831SS**  trans-170.298.3162.3-103.7167.9-169.300104.8
350E35.6Very low35.8Very low185 Ų185153.4 Ų153.486%0.86483%0.83SS**  57.69499.8-80.6-172.6166.900112.6
351E35.8Very low35.9Very low198 Ų198155.8 Ų155.893%0.92583%0.832SS**  68.696.294.2-73.1-152165.700114
352D37.2Very low35.5Very low168 Ų168157.7 Ų157.790%0.89883%0.833SS**  trans-92.6120.2165-97.7-37.4000109.7
353E37.8Very low35.9Very low178 Ų178157.1 Ų157.183%0.83283%0.83SS**  trans-86.5121172.9-167.3-179.2-171.500109.5
354V42.3Very low36.2Very low131 Ų131158.5 Ų158.579%0.79484%0.836SS**  trans-125119.8167.8-179.10000108.2
355N34.5Very low36.5Very low141 Ų141161.7 Ų161.775%0.75484%0.838SS**  trans-111.8151.6166.8-110.6-24.4000110.5
356P56.5Low36.9Very low104 Ų104166.3 Ų166.368%0.67585%0.853SS**  trans-100.1155.5-155.238.2-34.1000113.6
357I40.8Very low37.5Very low241 Ų241163.9 Ų163.9100%1.23685%0.854SS**  trans-140.80138.1-62.2-172.1000108

Retrieved 357 of 357 residues in 96.3 ms (Link to these results)