A0A087XE71_POEFO Loading...

Pre-mRNA-splicing factor SYF2

Involved in pre-mRNA splicing as component of the spliceosome.

AlphaFold DB , UniProt , Accession A0A087XE71, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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
1M37.3Very low41.1Very low230 Ų230142.7 Ų142.7100%1.13381%0.806SS**  0105.50-77.9166.6166.700106.8
2I37.3Very low43.1Very low155 Ų155140.2 Ų140.280%0.79580%0.799SS**  64.699.9118.6-57.8172.2000110.6
3C35.8Very low42.6Very low115 Ų115140.2 Ų140.278%0.77780%0.803SS**  70132104.3-123.40000111
4V38.5Very low42.6Very low130 Ų130136.8 Ų136.879%0.78880%0.8SS**  -168150.456.5-179.70000108.7
5A49.8Very low42.6Very low83 Ų83133.6 Ų133.669%0.68680%0.796SS**  trans-56.1159.9168.900000114.9
6F36.3Very low42.4Very low184 Ų184134.4 Ų134.481%0.80780%0.803SS**  -164.9123.5125.9-139-115.5000112.2I8F6-I8 HydrophobicContact CD1-CD1 3.8Å; F6-I8 HydrophobicContact CD1-CG1 3.63Å; F6-I8 HydrophobicContact CE1-CD1 3.87Å; F6-I8 HydrophobicContact CE1-CG1 3.84Å
7C46.5Very low42.6Very low122 Ų122137.6 Ų137.682%0.82481%0.807SS**  trans-73.5129.6163.3-65.60000109.5
8I40.9Very low42.7Very low137 Ų137139.9 Ų139.970%0.70381%0.809SS**  trans-147.6111.7150.5-55.7-178.3000108.3F6F6-I8 HydrophobicContact CD1-CD1 3.8Å; F6-I8 HydrophobicContact CD1-CG1 3.63Å; F6-I8 HydrophobicContact CE1-CD1 3.87Å; F6-I8 HydrophobicContact CE1-CG1 3.84Å
9N43.6Very low42.8Very low150 Ų150139.3 Ų139.380%0.80280%0.798SS**  trans-82.7148.3148-87.5-28.4000106.6
10P46.8Very low43.2Very low118 Ų118137.8 Ų137.877%0.76679%0.793SS**  -151.9166.964.936.6-14.7000117.6
11D39.8Very low43.6Very low146 Ų146135.6 Ų135.678%0.78178%0.782SS**  trans-61.1-179.3161-52.8-59.4000112.1
12P65.1Low44.4Very low112 Ų112132 Ų13273%0.72776%0.763SS**  cis-136.8-179.9-1.630.2-6.7000114.1
13V36.2Very low45.6Very low141 Ų141129.3 Ų129.386%0.85575%0.754SS**  168.4142.8122.5171.30000110
14A42.6Very low47Very low92 Ų92126.2 Ų126.276%0.7674%0.736SS**  trans-75.3171.3-166.500000117.7
15A42.9Very low48.4Very low89 Ų89122.5 Ų122.574%0.73672%0.719SS**  trans90.6112.3155.200000117.9
16T38.6Very low49.5Very low147 Ų147121.9 Ų121.990%0.90271%0.71SS**  -164.9147.688.434.30000112.1
17E46.1Very low51.3Low188 Ų188118.5 Ų118.588%0.87970%0.696SS**  trans-84.1165.4178.4-61.5177.2146.100112.8
18E43.8Very low53Low179 Ų179119 Ų11984%0.83669%0.685SS**  trans145.5100.6146.7-68.6-145.3165.400108.4
19E45.4Very low54.8Low129 Ų129120.6 Ų120.660%0.60368%0.682SS**  179.2116.683.8-91.1-72.9177.300111.4T21E19-T21 PolarHBondContact OE2-OG1 3.25Å
20P51.1Low56.8Low109 Ų109118.8 Ų118.871%0.70867%0.668SS**  trans-116.816.4164.636.4-26.9000113.8
21T50.4Low58.6Low91 Ų91118.7 Ų118.756%0.55866%0.658SS**Hα-helixtrans-90.9-26.4-165.968.80000115.2E19 A25E19-T21 PolarHBondContact OE2-OG1 3.25Å; T21-A25 WeakPolarHBondContact O-CB 3.23Å
22E54.4Low60.8Low156 Ų156119.9 Ų119.973%0.72965%0.651SS**Hα-helixtrans-77.9-37.2-172.3-66.7-164.8145.500114.9A25 S26E22-A25 PolarHBondContact O-N 3.02Å; E22-S26 WeakPolarHBondContact O-CB 3.25Å; E22-S26 PolarHBondContact O-N 3.11Å
23T62.3Low61.8Low98 Ų98118.9 Ų118.960%0.60164%0.639SS**Hα-helixtrans-75-42-173.656.70000112.7A25 S26 H27T23-A25 VanDerWaalsContact C-N 3.3Å; T23-A25 PolarHBondContact O-N 3.43Å; T23-S26 WeakPolarHBondContact O-CB 3.02Å; T23-S26 PolarHBondContact O-N 3.31Å; T23-H27 PolarHBondContact O-CD2 2.97Å; T23-H27 PolarHBondContact O-N 3.25Å
24A65.9Low64.2Low49 Ų49120 Ų12041%0.40563%0.628SS.*Hα-helixtrans-65.5-33.9174.200000112K28A24-K28 WeakPolarHBondContact O-CB 3.41Å; A24-K28 VanDerWaalsContact O-CG 3.24Å; A24-K28 WeakPolarHBondContact O-CG 3.48Å; A24-K28 PolarHBondContact O-N 3.49Å; A24-K28 VanDerWaalsContact O-N 3.15Å
25A68.5Low66.4Low53 Ų53122.1 Ų122.144%0.43862%0.62SS.*Hα-helixtrans-69.4-36.3174.100000112.4T21 E22 T23 R29T21-A25 WeakPolarHBondContact O-CB 3.23Å; E22-A25 PolarHBondContact O-N 3.02Å; T23-A25 VanDerWaalsContact C-N 3.3Å; T23-A25 PolarHBondContact O-N 3.43Å; A25-R29 WeakPolarHBondContact O-CB 3.45Å; A25-R29 PolarHBondContact O-N 2.97Å
26S73.3Confident68.7Low69 Ų69123.4 Ų123.448%0.48361%0.61SS.*Hα-helixtrans-64.6-48.4174.7-175.40000112.5E22 T23 K28 R29 E30E22-S26 WeakPolarHBondContact O-CB 3.25Å; E22-S26 PolarHBondContact O-N 3.11Å; T23-S26 WeakPolarHBondContact O-CB 3.02Å; T23-S26 PolarHBondContact O-N 3.31Å; S26-K28 PolarHBondContact O-N 3.44Å; S26-R29 WeakPolarHBondContact O-CA 3.37Å; S26-R29 VanDerWaalsContact O-CB 3.3Å; S26-R29 WeakPolarHBondContact O-CB 3.37Å; S26-R29 PolarHBondContact O-N 2.97Å; S26-E30 PolarHBondContact O-N 2.98Å
27H74Confident71.2Confident114 Ų114124 Ų12453%0.52860%0.595SS.*Hα-helixtrans-62.4-40.5175.7-73.1-63.2000112.4T23 R29 E30 E31T23-H27 PolarHBondContact O-CD2 2.97Å; T23-H27 PolarHBondContact O-N 3.25Å; H27-R29 PolarHBondContact O-N 3.37Å; H27-E30 PolarHBondContact O-N 2.88Å; H27-E31 WeakPolarHBondContact O-CG 3.43Å; H27-E31 PolarHBondContact O-N 2.99Å
28K81Confident73.4Confident133 Ų133119.5 Ų119.558%0.57857%0.574SS**Hα-helixtrans-63-28171.6-73.5173.2-177.5176.90113A24 S26 R32A24-K28 WeakPolarHBondContact O-CB 3.41Å; A24-K28 VanDerWaalsContact O-CG 3.24Å; A24-K28 WeakPolarHBondContact O-CG 3.48Å; A24-K28 PolarHBondContact O-N 3.49Å; A24-K28 VanDerWaalsContact O-N 3.15Å; S26-K28 PolarHBondContact O-N 3.44Å; K28-R32 WeakPolarHBondContact O-CB 3.41Å; K28-R32 VanDerWaalsContact O-CG 3.23Å; K28-R32 WeakPolarHBondContact O-CG 3.35Å; K28-R32 PolarHBondContact O-N 3.36Å; K28-R32 PolarHBondContact O-NE 3.2Å; K28-R32 VanDerWaalsContact O-NE 3.1Å
29R79.4Confident75.6Confident169 Ų169115.7 Ų115.764%0.63856%0.559SS**Hα-helixtrans-74.8-41.3173.7-177.2-178.5177.2-177.7-1111A25 S26 H27 R32 L33A25-R29 WeakPolarHBondContact O-CB 3.45Å; A25-R29 PolarHBondContact O-N 2.97Å; S26-R29 WeakPolarHBondContact O-CA 3.37Å; S26-R29 VanDerWaalsContact O-CB 3.3Å; S26-R29 WeakPolarHBondContact O-CB 3.37Å; S26-R29 PolarHBondContact O-N 2.97Å; H27-R29 PolarHBondContact O-N 3.37Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 PolarHBondContact O-N 2.97Å; R29-L33 HydrophobicContact CG-CD1 4.39Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 2.86Å
30E84.9Confident77.7Confident112 Ų112112.4 Ų112.452%0.52354%0.543SS..Hα-helixtrans-64.7-43.2176.8-170.6179.3-175.800112.4S26 H27 R32 L33 R34S26-E30 PolarHBondContact O-N 2.98Å; H27-E30 PolarHBondContact O-N 2.88Å; E30-R32 VanDerWaalsContact C-N 3.34Å; E30-R32 PolarHBondContact O-N 3.12Å; E30-L33 CarbonylContact O-C 3.54Å; E30-L33 WeakPolarHBondContact O-CB 3.27Å; E30-L33 PolarHBondContact O-N 3.42Å; E30-L33 VanDerWaalsContact O-N 3.14Å; E30-R34 PolarHBondContact O-N 2.96Å
31E85.4Confident79.7Confident117 Ų117113.9 Ų113.955%0.54754%0.539SS..Hα-helixtrans-61.3-41.2173.7-72.6179.4167.200112.1H27 L33 R34 K35H27-E31 WeakPolarHBondContact O-CG 3.43Å; H27-E31 PolarHBondContact O-N 2.99Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.36Å; E31-R34 PolarHBondContact O-N 3.49Å; E31-K35 WeakPolarHBondContact O-CB 3.49Å; E31-K35 PolarHBondContact O-N 3.07Å
32R84.6Confident81.8Confident170 Ų170114.7 Ų114.764%0.64254%0.535SS*.Hα-helixtrans-60.9-41.6172.7-79.1-176.2-69.3167.4-1.7111.7K28 R29 E30 F36K28-R32 WeakPolarHBondContact O-CB 3.41Å; K28-R32 VanDerWaalsContact O-CG 3.23Å; K28-R32 WeakPolarHBondContact O-CG 3.35Å; K28-R32 PolarHBondContact O-N 3.36Å; K28-R32 PolarHBondContact O-NE 3.2Å; K28-R32 VanDerWaalsContact O-NE 3.1Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 PolarHBondContact O-N 2.97Å; E30-R32 VanDerWaalsContact C-N 3.34Å; E30-R32 PolarHBondContact O-N 3.12Å; R32-F36 VanDerWaalsContact O-CB 3.29Å; R32-F36 WeakPolarHBondContact O-CB 3.26Å; R32-F36 PolarHBondContact O-N 3.33Å
33L87.1Confident83.6Confident91 Ų91113.5 Ų113.548%0.47652%0.524SS..Hα-helixtrans-69.2-35.7176.3-70.9169.8000112.7R29 E30 E31 F36 R37R29-L33 HydrophobicContact CG-CD1 4.39Å; R29-L33 WeakPolarHBondContact O-CG 3.43Å; R29-L33 PolarHBondContact O-N 2.86Å; E30-L33 CarbonylContact O-C 3.54Å; E30-L33 WeakPolarHBondContact O-CB 3.27Å; E30-L33 PolarHBondContact O-N 3.42Å; E30-L33 VanDerWaalsContact O-N 3.14Å; E31-L33 VanDerWaalsContact C-N 3.34Å; E31-L33 PolarHBondContact O-N 3.36Å; L33-F36 PolarHBondContact O-N 3.1Å; L33-R37 WeakPolarHBondContact O-CG 3.41Å; L33-R37 PolarHBondContact O-N 2.84Å
34R86.8Confident85Confident164 Ų164112.2 Ų112.262%0.61951%0.513SS*.Hα-helixtrans-65.6-47.6173.6-168.8179.876.1-166.61.2110.9E30 E31 F36 R37 E38E30-R34 PolarHBondContact O-N 2.96Å; E31-R34 PolarHBondContact O-N 3.49Å; R34-F36 VanDerWaalsContact C-N 3.29Å; R34-F36 PolarHBondContact O-N 2.66Å; R34-R37 PolarHBondContact O-N 2.89Å; R34-E38 PolarHBondContact O-N 3.42Å
35K89.3Confident86.4Confident137 Ų137114.6 Ų114.660%0.59652%0.516SS*.Hα-helixtrans-60.4-39.2174.5-173.1172.6-177.7174.30111.5E31 E38 L39E31-K35 WeakPolarHBondContact O-CB 3.49Å; E31-K35 PolarHBondContact O-N 3.07Å; K35-E38 PolarHBondContact O-N 3.39Å; K35-L39 HydrophobicContact CG-CD1 4.28Å; K35-L39 WeakPolarHBondContact O-CB 3.17Å; K35-L39 WeakPolarHBondContact O-CG 3.4Å; K35-L39 PolarHBondContact O-N 2.64Å
36F90.3Very high87.5Confident117 Ų117114.2 Ų114.251%0.51351%0.513SS..Hα-helixtrans-62.6-45.6174.7-176.1-107.2000112.2R32 L33 R34 E38 L39 H40R32-F36 VanDerWaalsContact O-CB 3.29Å; R32-F36 WeakPolarHBondContact O-CB 3.26Å; R32-F36 PolarHBondContact O-N 3.33Å; L33-F36 PolarHBondContact O-N 3.1Å; R34-F36 VanDerWaalsContact C-N 3.29Å; R34-F36 PolarHBondContact O-N 2.66Å; F36-E38 VanDerWaalsContact C-N 3.35Å; F36-E38 PolarHBondContact O-N 2.94Å; F36-L39 PolarHBondContact O-N 3.32Å; F36-H40 AromaticContact CD1-CD2 3.55Å; F36-H40 AromaticContact CD1-NE2 3.86Å; F36-H40 AromaticContact CE1-CD2 3.33Å; F36-H40 WeakPolarHBondContact CE1-CD2 3.49Å; F36-H40 AromaticContact CE1-NE2 3.14Å; F36-H40 WeakPolarHBondContact CE1-NE2 3.4Å; F36-H40 AromaticContact CE2-CD2 3.82Å; F36-H40 AromaticContact CE2-NE2 3.38Å; F36-H40 WeakPolarHBondContact CE2-NE2 3.21Å; F36-H40 AromaticContact CG-CD2 3.92Å; F36-H40 AromaticContact CZ-CD2 3.5Å; F36-H40 VanDerWaalsContact CZ-CD2 3.5Å; F36-H40 WeakPolarHBondContact CZ-CD2 3.24Å; F36-H40 AromaticContact CZ-NE2 2.87Å; F36-H40 WeakPolarHBondContact CZ-NE2 3.47Å; F36-H40 PolarHBondContact O-CD2 3.15Å; F36-H40 PolarHBondContact O-N 3.29Å
37R91Very high88.4Confident159 Ų159117.4 Ų117.460%0.651%0.514SS*.Hα-helixtrans-60.5-43174.6-76.2-176.8-76.7170.2-5.6112.3L33 R34 H40 F41L33-R37 WeakPolarHBondContact O-CG 3.41Å; L33-R37 PolarHBondContact O-N 2.84Å; R34-R37 PolarHBondContact O-N 2.89Å; R37-H40 WeakPolarHBondContact O-CB 3.21Å; R37-H40 PolarHBondContact O-N 3.47Å; R37-F41 PolarHBondContact O-N 3.17Å
38E92.4Very high89.5Confident93 Ų93119.1 Ų119.144%0.43552%0.52SS..Hα-helixtrans-62-44.7175.8-171.3-170160.100111.6R34 K35 F36 H40 F41 K42R34-E38 PolarHBondContact O-N 3.42Å; K35-E38 PolarHBondContact O-N 3.39Å; F36-E38 VanDerWaalsContact C-N 3.35Å; F36-E38 PolarHBondContact O-N 2.94Å; E38-H40 VanDerWaalsContact C-N 3.31Å; E38-H40 PolarHBondContact O-N 3.33Å; E38-F41 WeakPolarHBondContact O-CB 3.36Å; E38-F41 PolarHBondContact O-N 3.48Å; E38-K42 HydrophobicContact CG-CD 4.49Å; E38-K42 WeakPolarHBondContact O-CG 3.44Å; E38-K42 PolarHBondContact O-N 3.28Å; E38-K42 WeakPolarHBondContact OE1-CE 3.45Å; E38-K42 IonicContact OE1-NZ 2.66Å; E38-K42 PolarHBondContact OE1-NZ 3.26Å
39L90.1Very high90.1Very high99 Ų99116.7 Ų116.752%0.51851%0.513SS..Hα-helixtrans-62.3-38.8175.2-72170.7000111.8K35 F36 R43K35-L39 HydrophobicContact CG-CD1 4.28Å; K35-L39 WeakPolarHBondContact O-CB 3.17Å; K35-L39 WeakPolarHBondContact O-CG 3.4Å; K35-L39 PolarHBondContact O-N 2.64Å; F36-L39 PolarHBondContact O-N 3.32Å; L39-R43 VanDerWaalsContact O-CB 3.28Å; L39-R43 WeakPolarHBondContact O-CB 3.47Å; L39-R43 PolarHBondContact O-N 3.06Å
40H90.1Very high90.8Very high60 Ų60113.8 Ų113.828%0.27851%0.51SS..Hα-helixtrans-63.1-42.1173-90.3-74.5000112.5F36 R37 E38 R43 N44F36-H40 AromaticContact CD1-CD2 3.55Å; F36-H40 AromaticContact CD1-NE2 3.86Å; F36-H40 AromaticContact CE1-CD2 3.33Å; F36-H40 WeakPolarHBondContact CE1-CD2 3.49Å; F36-H40 AromaticContact CE1-NE2 3.14Å; F36-H40 WeakPolarHBondContact CE1-NE2 3.4Å; F36-H40 AromaticContact CE2-CD2 3.82Å; F36-H40 AromaticContact CE2-NE2 3.38Å; F36-H40 WeakPolarHBondContact CE2-NE2 3.21Å; F36-H40 AromaticContact CG-CD2 3.92Å; F36-H40 AromaticContact CZ-CD2 3.5Å; F36-H40 VanDerWaalsContact CZ-CD2 3.5Å; F36-H40 WeakPolarHBondContact CZ-CD2 3.24Å; F36-H40 AromaticContact CZ-NE2 2.87Å; F36-H40 WeakPolarHBondContact CZ-NE2 3.47Å; F36-H40 PolarHBondContact O-CD2 3.15Å; F36-H40 PolarHBondContact O-N 3.29Å; R37-H40 WeakPolarHBondContact O-CB 3.21Å; R37-H40 PolarHBondContact O-N 3.47Å; E38-H40 VanDerWaalsContact C-N 3.31Å; E38-H40 PolarHBondContact O-N 3.33Å; H40-R43 PolarHBondContact CE1-NH2 3.35Å; H40-R43 PolarHBondContact ND1-NH2 3.42Å; H40-R43 PolarHBondContact O-N 3.1Å; H40-N44 PolarHBondContact O-N 3.43Å; H40-N44 PolarHBondContact O-ND2 3.42Å; H40-N44 PolarHBondContact O-OD1 2.92Å
41F92.9Very high91.2Very high140 Ų140114.6 Ų114.661%0.61451%0.514SS*.Hα-helixtrans-63.3-49.5176.3-170.7-91.4000111.2R37 E38 R43 N44 E45R37-F41 PolarHBondContact O-N 3.17Å; E38-F41 WeakPolarHBondContact O-CB 3.36Å; E38-F41 PolarHBondContact O-N 3.48Å; F41-R43 VanDerWaalsContact C-N 3.29Å; F41-R43 PolarHBondContact O-N 3.5Å; F41-N44 WeakPolarHBondContact O-CA 3.37Å; F41-N44 WeakPolarHBondContact O-CB 3.49Å; F41-N44 PolarHBondContact O-N 3.08Å; F41-E45 WeakPolarHBondContact O-CB 3.26Å; F41-E45 PolarHBondContact O-N 3.25Å
42K93.7Very high91.7Very high108 Ų108114 Ų11447%0.4751%0.511SS..Hα-helixtrans-58.8-39175.1-71.3179.8-177.1173.30112.3E38 N44 E45 A46E38-K42 HydrophobicContact CG-CD 4.49Å; E38-K42 WeakPolarHBondContact O-CG 3.44Å; E38-K42 PolarHBondContact O-N 3.28Å; E38-K42 WeakPolarHBondContact OE1-CE 3.45Å; E38-K42 IonicContact OE1-NZ 2.66Å; E38-K42 PolarHBondContact OE1-NZ 3.26Å; K42-N44 VanDerWaalsContact C-N 3.34Å; K42-N44 PolarHBondContact O-N 3.15Å; K42-E45 PolarHBondContact O-N 3.29Å; K42-A46 VanDerWaalsContact O-CB 3.28Å; K42-A46 WeakPolarHBondContact O-CB 3.37Å; K42-A46 PolarHBondContact O-N 3.33Å
43R93Very high92.1Very high131 Ų131111.1 Ų111.149%0.49451%0.505SS..Hα-helixtrans-65.7-36.1174.2-169.7-174.372.4174.45.4112L39 H40 F41 R47L39-R43 VanDerWaalsContact O-CB 3.28Å; L39-R43 WeakPolarHBondContact O-CB 3.47Å; L39-R43 PolarHBondContact O-N 3.06Å; H40-R43 PolarHBondContact CE1-NH2 3.35Å; H40-R43 PolarHBondContact ND1-NH2 3.42Å; H40-R43 PolarHBondContact O-N 3.1Å; F41-R43 VanDerWaalsContact C-N 3.29Å; F41-R43 PolarHBondContact O-N 3.5Å; R43-R47 WeakPolarHBondContact O-CB 3.38Å; R43-R47 VanDerWaalsContact O-CG 3.23Å; R43-R47 WeakPolarHBondContact O-CG 3.37Å; R43-R47 PolarHBondContact O-N 3.01Å; R43-R47 VanDerWaalsContact O-N 3.07Å; R43-R47 PolarHBondContact O-NE 2.84Å
44N91.6Very high92.5Very high71 Ų71111.1 Ų111.138%0.3851%0.508SS..Hα-helixtrans-71.3-41.4177.2-67-8.9000111.3H40 F41 K42 R47 K48H40-N44 PolarHBondContact O-N 3.43Å; H40-N44 PolarHBondContact O-ND2 3.42Å; H40-N44 PolarHBondContact O-OD1 2.92Å; F41-N44 WeakPolarHBondContact O-CA 3.37Å; F41-N44 WeakPolarHBondContact O-CB 3.49Å; F41-N44 PolarHBondContact O-N 3.08Å; K42-N44 VanDerWaalsContact C-N 3.34Å; K42-N44 PolarHBondContact O-N 3.15Å; N44-R47 PolarHBondContact O-N 3.06Å; N44-R47 PolarHBondContact OD1-NH2 3.1Å; N44-K48 PolarHBondContact O-N 3.3Å
45E94.4Very high92.9Very high99 Ų99105.7 Ų105.746%0.46349%0.493SS..Hα-helixtrans-61.5-51.3174.8-175.1176.3-168.800111F41 K42 R47 K48 L49F41-E45 WeakPolarHBondContact O-CB 3.26Å; F41-E45 PolarHBondContact O-N 3.25Å; K42-E45 PolarHBondContact O-N 3.29Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 2.8Å; E45-K48 PolarHBondContact O-N 3.24Å; E45-L49 HydrophobicContact CG-CD1 4.13Å; E45-L49 WeakPolarHBondContact O-CG 3.2Å; E45-L49 PolarHBondContact O-N 3.49Å
46A93.3Very high92.9Very high45 Ų45103.5 Ų103.537%0.37249%0.485SS..Hα-helixtrans-57.1-41.7175.200000112.1K42 K48 N50K42-A46 VanDerWaalsContact O-CB 3.28Å; K42-A46 WeakPolarHBondContact O-CB 3.37Å; K42-A46 PolarHBondContact O-N 3.33Å; A46-K48 PolarHBondContact O-N 2.83Å; A46-N50 VanDerWaalsContact O-CB 3.29Å; A46-N50 WeakPolarHBondContact O-CB 3.41Å; A46-N50 PolarHBondContact O-N 2.84Å; A46-N50 PolarHBondContact O-ND2 3.4Å; A46-N50 PolarHBondContact O-OD1 3.27Å
47R92.2Very high92.8Very high137 Ų137103.5 Ų103.552%0.51749%0.487SS..Hα-helixtrans-62.5-40175.4-79.5-172.3-71.8167.7-5.3112.8R43 N44 E45 H51R43-R47 WeakPolarHBondContact O-CB 3.38Å; R43-R47 VanDerWaalsContact O-CG 3.23Å; R43-R47 WeakPolarHBondContact O-CG 3.37Å; R43-R47 PolarHBondContact O-N 3.01Å; R43-R47 VanDerWaalsContact O-N 3.07Å; R43-R47 PolarHBondContact O-NE 2.84Å; N44-R47 PolarHBondContact O-N 3.06Å; N44-R47 PolarHBondContact OD1-NH2 3.1Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 2.8Å; R47-H51 WeakPolarHBondContact O-CB 3.47Å; R47-H51 PolarHBondContact O-N 3.23Å; R47-H51 VanDerWaalsContact O-N 3.1Å
48K95.5Very high92.8Very high150 Ų150100.5 Ų100.565%0.65248%0.483SS*.Hα-helixtrans-68.3-47.2177.6-84.3-178.5173.9-178.20111.9N44 E45 A46 H51 Q52N44-K48 PolarHBondContact O-N 3.3Å; E45-K48 PolarHBondContact O-N 3.24Å; A46-K48 PolarHBondContact O-N 2.83Å; K48-H51 PolarHBondContact O-N 3.48Å; K48-Q52 WeakPolarHBondContact O-CG 3.5Å; K48-Q52 PolarHBondContact O-N 3.4Å
49L94.6Very high92.6Very high82 Ų82101.9 Ų101.943%0.42949%0.487SS..Hα-helixtrans-61.7-47.7178.9-67.5174.2000110.6E45 H51 Q52 E53E45-L49 HydrophobicContact CG-CD1 4.13Å; E45-L49 WeakPolarHBondContact O-CG 3.2Å; E45-L49 PolarHBondContact O-N 3.49Å; L49-H51 VanDerWaalsContact C-N 3.27Å; L49-H51 PolarHBondContact O-N 3.41Å; L49-Q52 WeakPolarHBondContact O-CB 3.39Å; L49-Q52 PolarHBondContact O-N 3.08Å; L49-Q52 VanDerWaalsContact O-N 3.09Å; L49-E53 WeakPolarHBondContact O-CG 3.39Å; L49-E53 PolarHBondContact O-N 2.88Å
50N94.1Very high92.4Very high108 Ų108105.9 Ų105.958%0.57850%0.495SS*.Hα-helixtrans-59-39.7176.3-68.5-6.7000112.1A46 V54A46-N50 VanDerWaalsContact O-CB 3.29Å; A46-N50 WeakPolarHBondContact O-CB 3.41Å; A46-N50 PolarHBondContact O-N 2.84Å; A46-N50 PolarHBondContact O-ND2 3.4Å; A46-N50 PolarHBondContact O-OD1 3.27Å; N50-V54 WeakPolarHBondContact O-CB 3.47Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 3.28Å
51H93.7Very high92.1Very high128 Ų128110 Ų11059%0.59352%0.519SS*.Hα-helixtrans-67.1-40.2176.4-179.158.8000112.4R47 K48 L49 V55R47-H51 WeakPolarHBondContact O-CB 3.47Å; R47-H51 PolarHBondContact O-N 3.23Å; R47-H51 VanDerWaalsContact O-N 3.1Å; K48-H51 PolarHBondContact O-N 3.48Å; L49-H51 VanDerWaalsContact C-N 3.27Å; L49-H51 PolarHBondContact O-N 3.41Å; H51-V55 WeakPolarHBondContact O-CB 3.41Å; H51-V55 VanDerWaalsContact O-CG2 3.23Å; H51-V55 WeakPolarHBondContact O-CG2 3.47Å; H51-V55 PolarHBondContact O-N 3.32Å
52Q95.4Very high91.8Very high104 Ų104111.4 Ų111.449%0.48653%0.525SS..Hα-helixtrans-61.5-48.4175.6-74.2171.6-1400111.2K48 L49 V54 V55 E56K48-Q52 WeakPolarHBondContact O-CG 3.5Å; K48-Q52 PolarHBondContact O-N 3.4Å; L49-Q52 WeakPolarHBondContact O-CB 3.39Å; L49-Q52 PolarHBondContact O-N 3.08Å; L49-Q52 VanDerWaalsContact O-N 3.09Å; Q52-V54 PolarHBondContact O-N 3.13Å; Q52-V55 PolarHBondContact O-N 3.06Å; Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 3.43Å
53E93.3Very high91.5Very high111 Ų111109.6 Ų109.652%0.51952%0.52SS..Hα-helixtrans-59.5-47.1177.5-67.9-65160.200111.6L49 V55 E56 E57L49-E53 WeakPolarHBondContact O-CG 3.39Å; L49-E53 PolarHBondContact O-N 2.88Å; E53-V55 VanDerWaalsContact C-N 3.29Å; E53-V55 PolarHBondContact O-N 3.26Å; E53-E56 PolarHBondContact O-N 2.8Å; E53-E56 VanDerWaalsContact O-N 3.1Å; E53-E57 WeakPolarHBondContact O-CG 3.28Å; E53-E57 PolarHBondContact O-N 3.14Å
54V95.1Very high91.1Very high90 Ų90107 Ų10755%0.54552%0.52SS..Hα-helixtrans-59.5-39.9176.9169.70000111.7N50 Q52 D58N50-V54 WeakPolarHBondContact O-CB 3.47Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 3.28Å; Q52-V54 PolarHBondContact O-N 3.13Å; V54-D58 WeakPolarHBondContact O-CB 3.22Å; V54-D58 PolarHBondContact O-N 3.49Å
55V94.2Very high90.5Very high50 Ų50110.1 Ų110.130%0.30355%0.547SS..Hα-helixtrans-69.1-36.6177168.40000111.5H51 Q52 E53 K59H51-V55 WeakPolarHBondContact O-CB 3.41Å; H51-V55 VanDerWaalsContact O-CG2 3.23Å; H51-V55 WeakPolarHBondContact O-CG2 3.47Å; H51-V55 PolarHBondContact O-N 3.32Å; Q52-V55 PolarHBondContact O-N 3.06Å; E53-V55 VanDerWaalsContact C-N 3.29Å; E53-V55 PolarHBondContact O-N 3.26Å; V55-K59 HydrophobicContact CG1-CD 4.28Å; V55-K59 WeakPolarHBondContact O-CB 3.33Å; V55-K59 VanDerWaalsContact O-CG 3.22Å; V55-K59 WeakPolarHBondContact O-CG 3.46Å; V55-K59 PolarHBondContact O-N 2.84Å
56E90.4Very high90.1Very high92 Ų92110.5 Ų110.543%0.4355%0.552SS.*Hα-helixtrans-70.5-38.2176-73-173.3-171.200112.4Q52 E53 K59 R60Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 3.43Å; E53-E56 PolarHBondContact O-N 2.8Å; E53-E56 VanDerWaalsContact O-N 3.1Å; E56-K59 WeakPolarHBondContact O-CB 3.47Å; E56-K59 PolarHBondContact O-N 2.86Å; E56-R60 WeakPolarHBondContact O-CG 3.23Å; E56-R60 PolarHBondContact O-N 3.49Å
57E88.2Confident89.7Confident116 Ų116113.8 Ų113.854%0.54256%0.555SS.*Hα-helixtrans-62.6-46.4171.3-72.7-169.5153.100111.6E53 K59 R60 L61E53-E57 WeakPolarHBondContact O-CG 3.28Å; E53-E57 PolarHBondContact O-N 3.14Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.2Å; E57-R60 WeakPolarHBondContact O-CB 3.33Å; E57-R60 PolarHBondContact O-N 3.49Å; E57-R60 VanDerWaalsContact O-N 3.11Å; E57-L61 WeakPolarHBondContact O-CG 3.31Å; E57-L61 PolarHBondContact O-N 3.16Å
58D90.3Very high89.4Confident97 Ų97114.7 Ų114.752%0.51957%0.565SS.*Hα-helixtrans-60-41.3175.1-176.265000111.8V54 R60 L61 K62V54-D58 WeakPolarHBondContact O-CB 3.22Å; V54-D58 PolarHBondContact O-N 3.49Å; D58-R60 PolarHBondContact O-N 2.91Å; D58-L61 PolarHBondContact O-N 3.43Å; D58-K62 VanDerWaalsContact O-CB 3.29Å; D58-K62 WeakPolarHBondContact O-CB 3.29Å; D58-K62 PolarHBondContact O-N 3.23Å
59K89.1Confident89Confident122 Ų122110.9 Ų110.953%0.5356%0.561SS.*Hα-helixtrans-60.3-44.7172.9-74.5168.2-175.5171.80111.7V55 E56 E57 K62 L63V55-K59 HydrophobicContact CG1-CD 4.28Å; V55-K59 WeakPolarHBondContact O-CB 3.33Å; V55-K59 VanDerWaalsContact O-CG 3.22Å; V55-K59 WeakPolarHBondContact O-CG 3.46Å; V55-K59 PolarHBondContact O-N 2.84Å; E56-K59 WeakPolarHBondContact O-CB 3.47Å; E56-K59 PolarHBondContact O-N 2.86Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.2Å; K59-K62 PolarHBondContact O-N 2.8Å; K59-L63 VanDerWaalsContact O-CD1 3.26Å; K59-L63 WeakPolarHBondContact O-CD1 3.48Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.45Å
60R84.4Confident88.5Confident182 Ų182112.7 Ų112.769%0.68757%0.566SS**Hα-helixtrans-62.1-40.9176.6-75.5176.8178.1179.64.2112.1E56 E57 D58 L63E56-R60 WeakPolarHBondContact O-CG 3.23Å; E56-R60 PolarHBondContact O-N 3.49Å; E57-R60 WeakPolarHBondContact O-CB 3.33Å; E57-R60 PolarHBondContact O-N 3.49Å; E57-R60 VanDerWaalsContact O-N 3.11Å; D58-R60 PolarHBondContact O-N 2.91Å; R60-L63 PolarHBondContact O-N 3.28Å
61L84.4Confident88.3Confident147 Ų147112.8 Ų112.877%0.7756%0.561SS**Hα-helixtrans-68.9-36177.3-69.8172.6000112.5E57 D58 L63E57-L61 WeakPolarHBondContact O-CG 3.31Å; E57-L61 PolarHBondContact O-N 3.16Å; D58-L61 PolarHBondContact O-N 3.43Å; L61-L63 VanDerWaalsContact C-N 3.32Å
62K87.4Confident88.1Confident170 Ų170110.1 Ų110.174%0.73956%0.557SS**Hα-helixtrans-77.5-17.8178.8-167.4168.1-175.7173.70113.3D58 K59D58-K62 VanDerWaalsContact O-CB 3.29Å; D58-K62 WeakPolarHBondContact O-CB 3.29Å; D58-K62 PolarHBondContact O-N 3.23Å; K59-K62 PolarHBondContact O-N 2.8Å
63L85.9Confident87.8Confident70 Ų70112.9 Ų112.937%0.36656%0.563SS.*SBendtrans-70.4129.3177.7-81.2157000110.2K59 R60 L61 W67K59-L63 VanDerWaalsContact O-CD1 3.26Å; K59-L63 WeakPolarHBondContact O-CD1 3.48Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.45Å; R60-L63 PolarHBondContact O-N 3.28Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L63-W67 HydrophobicContact CD2-CB 3.99Å; L63-W67 HydrophobicContact CD2-CD2 3.54Å; L63-W67 HydrophobicContact CD2-CE3 4.22Å; L63-W67 HydrophobicContact CD2-CG 3.4Å; L63-W67 VanDerWaalsContact CD2-CG 3.4Å; L63-W67 HydrophobicContact CD2-CZ2 4.48Å
64P85.8Confident87.6Confident76 Ų76111.6 Ų111.649%0.49456%0.559SS.*  trans-57.6141.1171.4-2737000111.1N66 W67P64-N66 WeakPolarHBondContact CB-OD1 3.41Å; P64-N66 PolarHBondContact O-N 2.84Å; P64-W67 WeakPolarHBondContact O-CB 3.3Å; P64-W67 PolarHBondContact O-N 3.3Å
65S79.2Confident87.5Confident136 Ų136112 Ų11295%0.95156%0.555SS**THydrogen-bonded Turntrans-54.7-21.6178.8166.90000114.1
66N86Confident87.4Confident107 Ų107116.5 Ų116.557%0.57257%0.567SS**THydrogen-bonded Turntrans-959.3177.760.9-9.4000114.3P64 A69 K70P64-N66 WeakPolarHBondContact CB-OD1 3.41Å; P64-N66 PolarHBondContact O-N 2.84Å; N66-A69 PolarHBondContact O-N 3.22Å; N66-K70 WeakPolarHBondContact O-CB 3.43Å; N66-K70 PolarHBondContact O-N 3.48Å
67W85Confident87.3Confident115 Ų115115.2 Ų115.244%0.43656%0.561SS.*Hα-helixtrans-62.3-45.8-176.6175.3-105.7000113.4L63 P64 A69 K70 K71L63-W67 HydrophobicContact CD2-CB 3.99Å; L63-W67 HydrophobicContact CD2-CD2 3.54Å; L63-W67 HydrophobicContact CD2-CE3 4.22Å; L63-W67 HydrophobicContact CD2-CG 3.4Å; L63-W67 VanDerWaalsContact CD2-CG 3.4Å; L63-W67 HydrophobicContact CD2-CZ2 4.48Å; P64-W67 WeakPolarHBondContact O-CB 3.3Å; P64-W67 PolarHBondContact O-N 3.3Å; W67-A69 PolarHBondContact O-N 3.06Å; W67-K70 CarbonylContact O-C 3.54Å; W67-K70 WeakPolarHBondContact O-CB 3.45Å; W67-K70 PolarHBondContact O-N 2.87Å; W67-K70 VanDerWaalsContact O-N 3.15Å; W67-K71 WeakPolarHBondContact O-CB 3.4Å; W67-K71 PolarHBondContact O-N 3.13Å
68E85.6Confident87.5Confident155 Ų155114.9 Ų114.972%0.72456%0.562SS**Hα-helixtrans-61.9-45.6179.6-68177.9179.900111.2K70 K71 S72E68-K70 VanDerWaalsContact C-N 3.28Å; E68-K70 PolarHBondContact O-N 2.96Å; E68-K71 PolarHBondContact O-N 2.94Å; E68-K71 VanDerWaalsContact O-N 3.13Å; E68-S72 PolarHBondContact O-N 2.86Å; E68-S72 PolarHBondContact O-OG 2.94Å
69A86.3Confident87.6Confident70 Ų70112.4 Ų112.458%0.57956%0.555SS**Hα-helixtrans-60.4-38.1174.900000112.2N66 W67 R73N66-A69 PolarHBondContact O-N 3.22Å; W67-A69 PolarHBondContact O-N 3.06Å; A69-R73 VanDerWaalsContact O-CB 3.29Å; A69-R73 WeakPolarHBondContact O-CB 3.42Å; A69-R73 PolarHBondContact O-N 3.42Å
70K85.3Confident87.6Confident120 Ų120108 Ų10852%0.52254%0.536SS..Hα-helixtrans-67.2-41.1175-171.9177.8-179.5-179.50111.6N66 W67 E68 R73 L74N66-K70 WeakPolarHBondContact O-CB 3.43Å; N66-K70 PolarHBondContact O-N 3.48Å; W67-K70 CarbonylContact O-C 3.54Å; W67-K70 WeakPolarHBondContact O-CB 3.45Å; W67-K70 PolarHBondContact O-N 2.87Å; W67-K70 VanDerWaalsContact O-N 3.15Å; E68-K70 VanDerWaalsContact C-N 3.28Å; E68-K70 PolarHBondContact O-N 2.96Å; K70-R73 PolarHBondContact O-N 3.42Å; K70-L74 HydrophobicContact CG-CD1 4.38Å; K70-L74 WeakPolarHBondContact O-CG 3.39Å; K70-L74 PolarHBondContact O-N 3.18Å
71K89.9Confident87.8Confident111 Ų111102.8 Ų102.848%0.48352%0.522SS..Hα-helixtrans-64.6-51.2177.1-174.2-176.6174.2-163.50111.2W67 E68 R73 L74 E75W67-K71 WeakPolarHBondContact O-CB 3.4Å; W67-K71 PolarHBondContact O-N 3.13Å; E68-K71 PolarHBondContact O-N 2.94Å; E68-K71 VanDerWaalsContact O-N 3.13Å; K71-R73 PolarHBondContact O-N 2.99Å; K71-L74 PolarHBondContact O-N 2.92Å; K71-L74 VanDerWaalsContact O-N 3.07Å; K71-E75 WeakPolarHBondContact CE-OE1 3.39Å; K71-E75 IonicContact NZ-OE1 2.7Å; K71-E75 WeakPolarHBondContact O-CG 3.48Å; K71-E75 PolarHBondContact O-N 2.94Å
72S89.1Confident88.1Confident71 Ų71101.2 Ų101.250%0.49751%0.511SS..Hα-helixtrans-58.2-36.8175.8-60.70000112.2E68 W76E68-S72 PolarHBondContact O-N 2.86Å; E68-S72 PolarHBondContact O-OG 2.94Å; S72-W76 VanDerWaalsContact O-CB 3.31Å; S72-W76 WeakPolarHBondContact O-CB 3.44Å; S72-W76 PolarHBondContact O-N 3Å
73R88.6Confident88.1Confident162 Ų16297 Ų9761%0.61149%0.492SS*.Hα-helixtrans-64.6-45.9174.6179.9179.2168.6-173.2-3.9112A69 K70 K71 W76 E77A69-R73 VanDerWaalsContact O-CB 3.29Å; A69-R73 WeakPolarHBondContact O-CB 3.42Å; A69-R73 PolarHBondContact O-N 3.42Å; K70-R73 PolarHBondContact O-N 3.42Å; K71-R73 PolarHBondContact O-N 2.99Å; R73-W76 PolarHBondContact O-N 3.18Å; R73-E77 IonicContact CZ-OE1 3.77Å; R73-E77 IonicContact NE-OE1 3.39Å; R73-E77 PolarHBondContact NE-OE1 2.87Å; R73-E77 IonicContact NH2-OE1 3.59Å; R73-E77 PolarHBondContact NH2-OE1 3.48Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 3.46Å
74L90Very high88.3Confident84 Ų8497.3 Ų97.344%0.4449%0.491SS..Hα-helixtrans-63.6-42.6177.5-73.9167.5000111.6K70 K71 W76 E77 L78K70-L74 HydrophobicContact CG-CD1 4.38Å; K70-L74 WeakPolarHBondContact O-CG 3.39Å; K70-L74 PolarHBondContact O-N 3.18Å; K71-L74 PolarHBondContact O-N 2.92Å; K71-L74 VanDerWaalsContact O-N 3.07Å; L74-W76 VanDerWaalsContact C-N 3.31Å; L74-W76 PolarHBondContact O-N 3.26Å; L74-E77 PolarHBondContact O-N 2.9Å; L74-L78 WeakPolarHBondContact O-CB 3.27Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 3.03Å
75E92.8Very high88.6Confident100 Ų100100.9 Ų100.947%0.46750%0.498SS..Hα-helixtrans-60.6-41.7174.6-72.4173169.900111.5K71 L78 A79K71-E75 WeakPolarHBondContact CE-OE1 3.39Å; K71-E75 IonicContact NZ-OE1 2.7Å; K71-E75 WeakPolarHBondContact O-CG 3.48Å; K71-E75 PolarHBondContact O-N 2.94Å; E75-L78 PolarHBondContact O-N 3.21Å; E75-A79 WeakPolarHBondContact O-CB 3.45Å; E75-A79 PolarHBondContact O-N 2.79Å
76W90.9Very high89.1Confident144 Ų14499.8 Ų99.855%0.54548%0.478SS..Hα-helixtrans-65.4-42.2175.3-179.683.4000112.7S72 R73 L74 A79 E80S72-W76 VanDerWaalsContact O-CB 3.31Å; S72-W76 WeakPolarHBondContact O-CB 3.44Å; S72-W76 PolarHBondContact O-N 3Å; R73-W76 PolarHBondContact O-N 3.18Å; L74-W76 VanDerWaalsContact C-N 3.31Å; L74-W76 PolarHBondContact O-N 3.26Å; W76-A79 PolarHBondContact O-N 3.5Å; W76-E80 HydrophobicContact CD2-CG 4.31Å; W76-E80 HydrophobicContact CH2-CG 3.97Å; W76-E80 VanDerWaalsContact CH2-OE2 3.27Å; W76-E80 WeakPolarHBondContact CH2-OE2 3.49Å; W76-E80 HydrophobicContact CZ2-CG 3.75Å; W76-E80 WeakPolarHBondContact CZ2-OE1 3.31Å; W76-E80 HydrophobicContact CZ3-CG 4.35Å; W76-E80 PolarHBondContact O-N 2.92Å
77E88.8Confident89.2Confident65 Ų6595.3 Ų95.330%0.30446%0.455SS..Hα-helixtrans-62.7-43.4176-74.7173.3-176.900111.1R73 L74 E80 D81R73-E77 IonicContact CZ-OE1 3.77Å; R73-E77 IonicContact NE-OE1 3.39Å; R73-E77 PolarHBondContact NE-OE1 2.87Å; R73-E77 IonicContact NH2-OE1 3.59Å; R73-E77 PolarHBondContact NH2-OE1 3.48Å; R73-E77 WeakPolarHBondContact O-CG 3.47Å; R73-E77 PolarHBondContact O-N 3.46Å; L74-E77 PolarHBondContact O-N 2.9Å; E77-E80 PolarHBondContact O-N 3.19Å; E77-D81 PolarHBondContact O-N 3.2Å
78L93.4Very high89.3Confident109 Ų10993.3 Ų93.357%0.57146%0.463SS*.Hα-helixtrans-62.1-45.7175.1-72.2173.2000112L74 E75 E80 D81 E82L74-L78 WeakPolarHBondContact O-CB 3.27Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 3.03Å; E75-L78 PolarHBondContact O-N 3.21Å; L78-E80 PolarHBondContact O-N 3.42Å; L78-D81 PolarHBondContact O-N 2.91Å; L78-E82 WeakPolarHBondContact O-CG 3.32Å; L78-E82 PolarHBondContact O-N 3.35Å
79A91.1Very high89.6Confident44 Ų4490.2 Ų90.236%0.36446%0.464SS..Hα-helixtrans-63.7-38.8177.900000112.4E75 W76 D81 K83E75-A79 WeakPolarHBondContact O-CB 3.45Å; E75-A79 PolarHBondContact O-N 2.79Å; W76-A79 PolarHBondContact O-N 3.5Å; A79-D81 VanDerWaalsContact C-N 3.34Å; A79-K83 WeakPolarHBondContact O-CG 3.08Å; A79-K83 PolarHBondContact O-N 3Å
80E89.6Confident89.7Confident30 Ų3094 Ų9414%0.1447%0.469CS..Hα-helixtrans-62.7-41.3172.6-82-144.5136.700111.8W76 E77 L78 K83 K84 Y94 K98W76-E80 HydrophobicContact CD2-CG 4.31Å; W76-E80 HydrophobicContact CH2-CG 3.97Å; W76-E80 VanDerWaalsContact CH2-OE2 3.27Å; W76-E80 WeakPolarHBondContact CH2-OE2 3.49Å; W76-E80 HydrophobicContact CZ2-CG 3.75Å; W76-E80 WeakPolarHBondContact CZ2-OE1 3.31Å; W76-E80 HydrophobicContact CZ3-CG 4.35Å; W76-E80 PolarHBondContact O-N 2.92Å; E77-E80 PolarHBondContact O-N 3.19Å; L78-E80 PolarHBondContact O-N 3.42Å; E80-K83 PolarHBondContact O-N 3.18Å; E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.48Å; E80-K84 PolarHBondContact O-N 3.2Å; E80-Y94 WeakPolarHBondContact CG-OH 3.29Å; E80-Y94 PolarHBondContact OE1-OH 2.65Å; E80-K98 IonicContact OE1-NZ 2.8Å; E80-K98 PolarHBondContact OE1-NZ 3.25Å
81D88.1Confident89.8Confident72 Ų7291.6 Ų91.639%0.38548%0.479SS..Hα-helixtrans-72-34.5-179.7-76-13.1000112.7E77 L78 A79 K84 K85E77-D81 PolarHBondContact O-N 3.2Å; L78-D81 PolarHBondContact O-N 2.91Å; A79-D81 VanDerWaalsContact C-N 3.34Å; D81-K84 PolarHBondContact O-N 3.12Å; D81-K84 IonicContact OD1-NZ 3.02Å; D81-K84 PolarHBondContact OD1-NZ 2.98Å; D81-K85 VanDerWaalsContact O-CG 3.29Å; D81-K85 WeakPolarHBondContact O-CG 3.47Å; D81-K85 PolarHBondContact O-N 3.14Å
82E91.5Very high89.7Confident114 Ų11491.1 Ų91.153%0.53348%0.479SS..Hα-helixtrans-61.8-50.6169.8-76.1175.3177.900110.9L78 K84 K85 E86L78-E82 WeakPolarHBondContact O-CG 3.32Å; L78-E82 PolarHBondContact O-N 3.35Å; E82-K84 VanDerWaalsContact C-N 3.29Å; E82-K84 PolarHBondContact O-N 2.98Å; E82-K85 WeakPolarHBondContact O-CB 3.26Å; E82-K85 PolarHBondContact O-N 2.9Å; E82-E86 WeakPolarHBondContact O-CG 3.23Å; E82-E86 PolarHBondContact O-N 3.25Å
83K88.1Confident89.5Confident81 Ų8192.3 Ų92.335%0.35248%0.479SS..Hα-helixtrans-58.2-39.1175.8-76.5-166.9172.1-153.30112.9A79 E80 E86 C87 Y94 E101A79-K83 WeakPolarHBondContact O-CG 3.08Å; A79-K83 PolarHBondContact O-N 3Å; E80-K83 PolarHBondContact O-N 3.18Å; K83-E86 PolarHBondContact O-N 3.14Å; K83-C87 WeakPolarHBondContact O-CB 3.36Å; K83-C87 PolarHBondContact O-N 2.93Å; K83-C87 PolarHBondContact O-SG 3.26Å; K83-Y94 HydrophobicContact CB-CD2 4.39Å; K83-Y94 HydrophobicContact CB-CE2 3.79Å; K83-E101 VanDerWaalsContact NZ-CD 3.32Å; K83-E101 IonicContact NZ-OE1 3.68Å; K83-E101 PolarHBondContact NZ-OE1 3.08Å; K83-E101 IonicContact NZ-OE2 3.67Å; K83-E101 PolarHBondContact NZ-OE2 3.12Å
84K89.7Confident89.4Confident78 Ų7886 Ų8634%0.33946%0.455SS..Hα-helixtrans-62.3-42.9174.3-75.1171.2-156.11520111.8E80 D81 E82 A88 Y94E80-K84 VanDerWaalsContact O-CG 3.31Å; E80-K84 WeakPolarHBondContact O-CG 3.48Å; E80-K84 PolarHBondContact O-N 3.2Å; D81-K84 PolarHBondContact O-N 3.12Å; D81-K84 IonicContact OD1-NZ 3.02Å; D81-K84 PolarHBondContact OD1-NZ 2.98Å; E82-K84 VanDerWaalsContact C-N 3.29Å; E82-K84 PolarHBondContact O-N 2.98Å; K84-A88 VanDerWaalsContact O-CB 3.27Å; K84-A88 WeakPolarHBondContact O-CB 3.49Å; K84-A88 PolarHBondContact O-N 3.1Å; K84-Y94 HydrophobicContact CB-CD2 4.39Å; K84-Y94 HydrophobicContact CB-CG 4.48Å; K84-Y94 HydrophobicContact CD-CD1 4.38Å; K84-Y94 HydrophobicContact CD-CE1 4.36Å; K84-Y94 HydrophobicContact CG-CD1 3.65Å; K84-Y94 HydrophobicContact CG-CD2 3.69Å; K84-Y94 HydrophobicContact CG-CE1 3.83Å; K84-Y94 HydrophobicContact CG-CE2 3.89Å; K84-Y94 HydrophobicContact CG-CG 3.57Å
85K91.3Very high89Confident150 Ų15088.1 Ų88.165%0.65246%0.463SS*.Hα-helixtrans-65.2-41.8177.8-72.7169.1-175.8171.20111.5D81 E82 A88 A89D81-K85 VanDerWaalsContact O-CG 3.29Å; D81-K85 WeakPolarHBondContact O-CG 3.47Å; D81-K85 PolarHBondContact O-N 3.14Å; E82-K85 WeakPolarHBondContact O-CB 3.26Å; E82-K85 PolarHBondContact O-N 2.9Å; K85-A88 PolarHBondContact O-N 3.35Å; K85-A89 WeakPolarHBondContact O-CB 3.39Å; K85-A89 PolarHBondContact O-N 2.88Å
86E90.3Very high88.6Confident113 Ų11391 Ų9153%0.52847%0.469SS..Hα-helixtrans-62.1-50.3175.1-70.2173.7175.800111.2E82 K83 A88 A89 H90E82-E86 WeakPolarHBondContact O-CG 3.23Å; E82-E86 PolarHBondContact O-N 3.25Å; K83-E86 PolarHBondContact O-N 3.14Å; E86-A88 VanDerWaalsContact C-N 3.3Å; E86-A88 PolarHBondContact O-N 3.49Å; E86-A89 WeakPolarHBondContact O-CB 3.43Å; E86-A89 PolarHBondContact O-N 3.47Å; E86-A89 VanDerWaalsContact O-N 3.1Å; E86-H90 PolarHBondContact O-CD2 2.92Å; E86-H90 PolarHBondContact O-N 3.4Å
87C86.9Confident88.4Confident14 Ų1485.5 Ų85.510%0.09545%0.452CS..Hα-helixtrans-58.2-42.9176.3-66.40000111.5K83 A89 H90 G91 E92K83-C87 WeakPolarHBondContact O-CB 3.36Å; K83-C87 PolarHBondContact O-N 2.93Å; K83-C87 PolarHBondContact O-SG 3.26Å; C87-A89 PolarHBondContact O-N 2.9Å; C87-H90 CarbonylContact O-C 3.52Å; C87-H90 PolarHBondContact O-N 2.91Å; C87-G91 PolarHBondContact O-N 3.45Å; C87-E92 CarbonylContact C-O 3.58Å; C87-E92 PolarHBondContact O-N 3.29Å
88A88.3Confident88.3Confident73 Ų7386 Ų8660%0.60345%0.453SS*.Hα-helixtrans-64.2-37.9176.200000112.7K84 K85 E86 G91K84-A88 VanDerWaalsContact O-CB 3.27Å; K84-A88 WeakPolarHBondContact O-CB 3.49Å; K84-A88 PolarHBondContact O-N 3.1Å; K85-A88 PolarHBondContact O-N 3.35Å; E86-A88 VanDerWaalsContact C-N 3.3Å; E86-A88 PolarHBondContact O-N 3.49Å; A88-G91 PolarHBondContact O-N 2.89Å
89A91.5Very high87.9Confident89 Ų8986.8 Ų86.874%0.73646%0.457SS*.Hα-helixtrans-68-3517500000112.4K85 E86 C87 G91K85-A89 WeakPolarHBondContact O-CB 3.39Å; K85-A89 PolarHBondContact O-N 2.88Å; E86-A89 WeakPolarHBondContact O-CB 3.43Å; E86-A89 PolarHBondContact O-N 3.47Å; E86-A89 VanDerWaalsContact O-N 3.1Å; C87-A89 PolarHBondContact O-N 2.9Å; A89-G91 VanDerWaalsContact C-N 3.28Å
90H88.2Confident87.6Confident149 Ų14991.5 Ų91.569%0.6948%0.475SS*.Hα-helixtrans-77.1-11.3172.8-71.2-64.2000113.5E86 C87 E92E86-H90 PolarHBondContact O-CD2 2.92Å; E86-H90 PolarHBondContact O-N 3.4Å; C87-H90 CarbonylContact O-C 3.52Å; C87-H90 PolarHBondContact O-N 2.91Å; H90-E92 HydrophobicContact CB-CG 4.33Å
91G88.8Confident87.4Confident70 Ų7095.1 Ų95.172%0.72249%0.492SS*.THydrogen-bonded Turntrans76.519.5-177.200000114.1C87 A88 A89C87-G91 PolarHBondContact O-N 3.45Å; A88-G91 PolarHBondContact O-N 2.89Å; A89-G91 VanDerWaalsContact C-N 3.28Å
92E87Confident87.3Confident102 Ų10295.1 Ų95.148%0.47749%0.492SS..  trans-100.9150.6179.5-60.4-171.1175.300112.1C87 H90 Y94 V97C87-E92 CarbonylContact C-O 3.58Å; C87-E92 PolarHBondContact O-N 3.29Å; H90-E92 HydrophobicContact CB-CG 4.33Å; E92-Y94 PolarHBondContact O-N 3.46Å; E92-V97 HydrophobicContact CB-CG2 4.15Å; E92-V97 WeakPolarHBondContact OE2-CG2 3.34Å
93D85.6Confident87.3Confident95 Ų9593.1 Ų93.151%0.50849%0.487SS..  trans-77.5116.8172.1-177.9-4.6000110.6H95 R96 V97D93-H95 PolarHBondContact O-N 2.66Å; D93-H95 IonicContact OD1-CD2 2.85Å; D93-H95 PolarHBondContact OD1-N 2.97Å; D93-R96 HydrophobicContact CB-CB 4.29Å; D93-R96 WeakPolarHBondContact O-CB 3.43Å; D93-R96 PolarHBondContact O-N 3.47Å; D93-V97 PolarHBondContact O-N 3.28Å
94Y85.2Confident87.1Confident29 Ų2993.1 Ų93.111%0.11450%0.503CS..Hα-helixtrans-50.4-39.1176.7175.3-109.5000113E80 K83 K84 E92 R96 V97 K98E80-Y94 WeakPolarHBondContact CG-OH 3.29Å; E80-Y94 PolarHBondContact OE1-OH 2.65Å; K83-Y94 HydrophobicContact CB-CD2 4.39Å; K83-Y94 HydrophobicContact CB-CE2 3.79Å; K84-Y94 HydrophobicContact CB-CD2 4.39Å; K84-Y94 HydrophobicContact CB-CG 4.48Å; K84-Y94 HydrophobicContact CD-CD1 4.38Å; K84-Y94 HydrophobicContact CD-CE1 4.36Å; K84-Y94 HydrophobicContact CG-CD1 3.65Å; K84-Y94 HydrophobicContact CG-CD2 3.69Å; K84-Y94 HydrophobicContact CG-CE1 3.83Å; K84-Y94 HydrophobicContact CG-CE2 3.89Å; K84-Y94 HydrophobicContact CG-CG 3.57Å; E92-Y94 PolarHBondContact O-N 3.46Å; Y94-R96 VanDerWaalsContact C-N 3.3Å; Y94-R96 PolarHBondContact O-N 3.09Å; Y94-V97 PolarHBondContact O-N 3.42Å; Y94-K98 HydrophobicContact CE1-CD 4.03Å; Y94-K98 WeakPolarHBondContact O-CB 3.38Å; Y94-K98 PolarHBondContact O-N 3.02Å
95H82.8Confident86.8Confident129 Ų12994.4 Ų94.460%0.59751%0.513SS*.Hα-helixtrans-66.3-35.7-179.6-72.8-66.7000112D93 L99D93-H95 PolarHBondContact O-N 2.66Å; D93-H95 IonicContact OD1-CD2 2.85Å; D93-H95 PolarHBondContact OD1-N 2.97Å; H95-L99 WeakPolarHBondContact O-CB 3.37Å; H95-L99 WeakPolarHBondContact O-CG 3.31Å; H95-L99 PolarHBondContact O-N 3.4Å
96R84.3Confident86.5Confident160 Ų16091.8 Ų91.860%0.60450%0.503SS*.Hα-helixtrans-71.3-45.1178.6-167.4172.275.9153.23.1111.3D93 Y94 K98 L99 L100D93-R96 HydrophobicContact CB-CB 4.29Å; D93-R96 WeakPolarHBondContact O-CB 3.43Å; D93-R96 PolarHBondContact O-N 3.47Å; Y94-R96 VanDerWaalsContact C-N 3.3Å; Y94-R96 PolarHBondContact O-N 3.09Å; R96-K98 VanDerWaalsContact C-N 3.35Å; R96-K98 PolarHBondContact O-N 3.32Å; R96-L99 PolarHBondContact O-N 3.25Å; R96-L100 WeakPolarHBondContact O-CG 3.44Å; R96-L100 PolarHBondContact O-N 2.96Å; R96-L100 VanDerWaalsContact O-N 3.15Å
97V86.8Confident86.1Confident30 Ų3088.3 Ų88.318%0.18249%0.494CS..Hα-helixtrans-60.5-46.3176.1178.40000110.4E92 D93 Y94 L99 L100 E101E92-V97 HydrophobicContact CB-CG2 4.15Å; E92-V97 WeakPolarHBondContact OE2-CG2 3.34Å; D93-V97 PolarHBondContact O-N 3.28Å; Y94-V97 PolarHBondContact O-N 3.42Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.43Å; V97-L100 WeakPolarHBondContact O-CB 3.27Å; V97-L100 PolarHBondContact O-N 3.05Å; V97-L100 VanDerWaalsContact O-N 3.08Å; V97-E101 PolarHBondContact O-N 2.97Å; V97-E101 VanDerWaalsContact O-N 3.1Å
98K86.1Confident86Confident76 Ų7692.1 Ų92.133%0.3351%0.51SS..Hα-helixtrans-60.3-38.2177.2-174.8171.2-177.7171.60112.9E80 Y94 R96 L100 E101 I102E80-K98 IonicContact OE1-NZ 2.8Å; E80-K98 PolarHBondContact OE1-NZ 3.25Å; Y94-K98 HydrophobicContact CE1-CD 4.03Å; Y94-K98 WeakPolarHBondContact O-CB 3.38Å; Y94-K98 PolarHBondContact O-N 3.02Å; R96-K98 VanDerWaalsContact C-N 3.35Å; R96-K98 PolarHBondContact O-N 3.32Å; K98-L100 VanDerWaalsContact C-N 3.32Å; K98-E101 PolarHBondContact O-N 2.96Å; K98-I102 WeakPolarHBondContact O-CG1 3.42Å; K98-I102 PolarHBondContact O-N 3.25Å
99L83.9Confident85.8Confident125 Ų12595.4 Ų95.465%0.65451%0.507SS*.Hα-helixtrans-68.6-30.2176.4-74169.8000112.8H95 R96 V97 I102H95-L99 WeakPolarHBondContact O-CB 3.37Å; H95-L99 WeakPolarHBondContact O-CG 3.31Å; H95-L99 PolarHBondContact O-N 3.4Å; R96-L99 PolarHBondContact O-N 3.25Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.43Å; L99-I102 HydrophobicContact CD2-CD1 4.37Å
100L86.2Confident85Confident142 Ų14298.5 Ų98.574%0.74350%0.5SS*.Hα-helixtrans-73.4-32.4175.4-68.3169.6000112.6R96 V97 K98 I102R96-L100 WeakPolarHBondContact O-CG 3.44Å; R96-L100 PolarHBondContact O-N 2.96Å; R96-L100 VanDerWaalsContact O-N 3.15Å; V97-L100 WeakPolarHBondContact O-CB 3.27Å; V97-L100 PolarHBondContact O-N 3.05Å; V97-L100 VanDerWaalsContact O-N 3.08Å; K98-L100 VanDerWaalsContact C-N 3.32Å; L100-I102 VanDerWaalsContact C-N 3.31Å
101E84.9Confident84.5Confident106 Ų10695.2 Ų95.250%0.49549%0.485SS..Hα-helixtrans-71.4-23.8176.6-69.6-177.116600113K83 V97 K98 T103K83-E101 VanDerWaalsContact NZ-CD 3.32Å; K83-E101 IonicContact NZ-OE1 3.68Å; K83-E101 PolarHBondContact NZ-OE1 3.08Å; K83-E101 IonicContact NZ-OE2 3.67Å; K83-E101 PolarHBondContact NZ-OE2 3.12Å; V97-E101 PolarHBondContact O-N 2.97Å; V97-E101 VanDerWaalsContact O-N 3.1Å; K98-E101 PolarHBondContact O-N 2.96Å; E101-T103 PolarHBondContact O-N 3.34Å
102I86Confident84Confident73 Ų7399.9 Ų99.937%0.37448%0.481SS..SBendtrans-74.1120.2-177.3-67.5164.1000110.4K98 L99 L100 E106 A107K98-I102 WeakPolarHBondContact O-CG1 3.42Å; K98-I102 PolarHBondContact O-N 3.25Å; L99-I102 HydrophobicContact CD2-CD1 4.37Å; L100-I102 VanDerWaalsContact C-N 3.31Å; I102-E106 HydrophobicContact CG2-CB 4.17Å; I102-A107 HydrophobicContact CG2-CB 3.96Å
103T90.6Very high83.2Confident71 Ų71103 Ų10344%0.43649%0.493SS..  trans-73.5155.6175.660.60000112.2E101 D105 E106 A107E101-T103 PolarHBondContact O-N 3.34Å; T103-D105 PolarHBondContact O-N 3.48Å; T103-E106 PolarHBondContact N-OE2 2.93Å; T103-E106 PolarHBondContact O-N 2.91Å; T103-E106 VanDerWaalsContact O-N 3.1Å; T103-E106 WeakPolarHBondContact OG1-CB 3.36Å; T103-E106 WeakPolarHBondContact OG1-CG 3.46Å; T103-E106 PolarHBondContact OG1-N 2.96Å; T103-E106 PolarHBondContact OG1-OE2 2.9Å; T103-E106 VanDerWaalsContact OG1-OE2 3.06Å; T103-A107 PolarHBondContact O-N 3.08Å
104A84.4Confident82.5Confident82 Ų82103.4 Ų103.468%0.67849%0.49SS*.Hα-helixtrans-56.2-38.7178.500000112.6A107 E108A104-A107 PolarHBondContact O-N 3.03Å; A104-E108 PolarHBondContact O-N 3.03Å
105D84.3Confident81.7Confident105 Ų105109.4 Ų109.456%0.56152%0.516SS*.Hα-helixtrans-69.3-34.2178.2-68-22.6000113.1T103 R109T103-D105 PolarHBondContact O-N 3.48Å; D105-R109 WeakPolarHBondContact O-CB 3.42Å; D105-R109 WeakPolarHBondContact O-CG 3.41Å; D105-R109 PolarHBondContact O-N 2.86Å; D105-R109 PolarHBondContact O-NE 3.44Å
106E83.8Confident80.8Confident95 Ų95113.2 Ų113.244%0.44453%0.531SS..Hα-helixtrans-72.4-41174.7-74.8170.6163.600111.2I102 T103 R109 W110I102-E106 HydrophobicContact CG2-CB 4.17Å; T103-E106 PolarHBondContact N-OE2 2.93Å; T103-E106 PolarHBondContact O-N 2.91Å; T103-E106 VanDerWaalsContact O-N 3.1Å; T103-E106 WeakPolarHBondContact OG1-CB 3.36Å; T103-E106 WeakPolarHBondContact OG1-CG 3.46Å; T103-E106 PolarHBondContact OG1-N 2.96Å; T103-E106 PolarHBondContact OG1-OE2 2.9Å; T103-E106 VanDerWaalsContact OG1-OE2 3.06Å; E106-R109 PolarHBondContact O-N 3.02Å; E106-W110 VanDerWaalsContact O-CB 3.24Å; E106-W110 WeakPolarHBondContact O-CB 3.5Å; E106-W110 PolarHBondContact O-N 3.48Å
107A83.6Confident80.4Confident40 Ų40114.6 Ų114.633%0.33154%0.542SS..Hα-helixtrans-60.2-44.9172.400000111.1I102 T103 A104 W110 E111I102-A107 HydrophobicContact CG2-CB 3.96Å; T103-A107 PolarHBondContact O-N 3.08Å; A104-A107 PolarHBondContact O-N 3.03Å; A107-W110 WeakPolarHBondContact O-CB 3.21Å; A107-W110 PolarHBondContact O-N 2.95Å; A107-E111 WeakPolarHBondContact O-CB 3.45Å; A107-E111 WeakPolarHBondContact O-CG 3.39Å; A107-E111 PolarHBondContact O-N 3.33Å
108E84Confident80Confident94 Ų94118.3 Ų118.344%0.43956%0.56SS.*Hα-helixtrans-65.6-43.4178.1-160.3-164.2174.100111.8A104 W110 E111 R112A104-E108 PolarHBondContact O-N 3.03Å; E108-W110 VanDerWaalsContact C-N 3.29Å; E108-W110 PolarHBondContact O-N 3.39Å; E108-E111 PolarHBondContact O-N 3.47Å; E108-R112 VanDerWaalsContact CD-NH2 3.26Å; E108-R112 WeakPolarHBondContact O-CB 3.43Å; E108-R112 VanDerWaalsContact O-CG 3.26Å; E108-R112 WeakPolarHBondContact O-CG 3.44Å; E108-R112 PolarHBondContact O-N 3.33Å; E108-R112 IonicContact OE1-CZ 3.75Å; E108-R112 VanDerWaalsContact OE1-CZ 3.23Å; E108-R112 IonicContact OE1-NE 2.86Å; E108-R112 PolarHBondContact OE1-NE 2.85Å; E108-R112 VanDerWaalsContact OE1-NE 3.1Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.03Å; E108-R112 IonicContact OE2-CZ 2.8Å; E108-R112 IonicContact OE2-NH2 2.94Å; E108-R112 PolarHBondContact OE2-NH2 3.39Å
109R83.5Confident80.1Confident141 Ų141118.8 Ų118.853%0.53257%0.572SS.*Hα-helixtrans-60.4-39.8173.4-81.5-176.6-80.9171.2-4.8111.7D105 E106 R112 K113D105-R109 WeakPolarHBondContact O-CB 3.42Å; D105-R109 WeakPolarHBondContact O-CG 3.41Å; D105-R109 PolarHBondContact O-N 2.86Å; D105-R109 PolarHBondContact O-NE 3.44Å; E106-R109 PolarHBondContact O-N 3.02Å; R109-R112 PolarHBondContact O-N 3.16Å; R109-K113 WeakPolarHBondContact O-CG 3.28Å; R109-K113 PolarHBondContact O-N 2.94Å
110W75.6Confident80.1Confident155 Ų155118.2 Ų118.259%0.58757%0.569SS**Hα-helixtrans-65.9-43.1176.6-169.7-117.5000111.9E106 A107 E108 K113 K114E106-W110 VanDerWaalsContact O-CB 3.24Å; E106-W110 WeakPolarHBondContact O-CB 3.5Å; E106-W110 PolarHBondContact O-N 3.48Å; A107-W110 WeakPolarHBondContact O-CB 3.21Å; A107-W110 PolarHBondContact O-N 2.95Å; E108-W110 VanDerWaalsContact C-N 3.29Å; E108-W110 PolarHBondContact O-N 3.39Å; W110-K113 WeakPolarHBondContact O-CB 3.31Å; W110-K113 PolarHBondContact O-N 3.42Å; W110-K114 WeakPolarHBondContact O-CG 3.49Å; W110-K114 PolarHBondContact O-N 3.14Å
111E77.5Confident80.1Confident80 Ų80117.8 Ų117.837%0.37457%0.573SS.*Hα-helixtrans-67.1-37.4175.7-73.9-56.8131.300112.5A107 E108 K113 K114 K115A107-E111 WeakPolarHBondContact O-CB 3.45Å; A107-E111 WeakPolarHBondContact O-CG 3.39Å; A107-E111 PolarHBondContact O-N 3.33Å; E108-E111 PolarHBondContact O-N 3.47Å; E111-K113 VanDerWaalsContact C-N 3.32Å; E111-K113 PolarHBondContact O-N 3.17Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 WeakPolarHBondContact OE1-CD 3.29Å; E111-K114 IonicContact OE1-NZ 2.66Å; E111-K114 PolarHBondContact OE1-NZ 3.12Å; E111-K115 WeakPolarHBondContact O-CB 3.48Å; E111-K115 PolarHBondContact O-N 2.9Å
112R77.4Confident80.2Confident167 Ų167114.8 Ų114.863%0.6357%0.57SS**Hα-helixtrans-62.9-37.8171.2-72.8174.1-176.1-171.93.6111.8E108 R109E108-R112 VanDerWaalsContact CD-NH2 3.26Å; E108-R112 WeakPolarHBondContact O-CB 3.43Å; E108-R112 VanDerWaalsContact O-CG 3.26Å; E108-R112 WeakPolarHBondContact O-CG 3.44Å; E108-R112 PolarHBondContact O-N 3.33Å; E108-R112 IonicContact OE1-CZ 3.75Å; E108-R112 VanDerWaalsContact OE1-CZ 3.23Å; E108-R112 IonicContact OE1-NE 2.86Å; E108-R112 PolarHBondContact OE1-NE 2.85Å; E108-R112 VanDerWaalsContact OE1-NE 3.1Å; E108-R112 IonicContact OE1-NH2 2.65Å; E108-R112 PolarHBondContact OE1-NH2 3.03Å; E108-R112 IonicContact OE2-CZ 2.8Å; E108-R112 IonicContact OE2-NH2 2.94Å; E108-R112 PolarHBondContact OE2-NH2 3.39Å; R109-R112 PolarHBondContact O-N 3.16Å
113K71.4Confident80.5Confident169 Ų169116.8 Ų116.874%0.73558%0.576SS**Hα-helixtrans-68.7-34173.7-74.3175.7-179.1-1790112.5R109 W110 E111R109-K113 WeakPolarHBondContact O-CG 3.28Å; R109-K113 PolarHBondContact O-N 2.94Å; W110-K113 WeakPolarHBondContact O-CB 3.31Å; W110-K113 PolarHBondContact O-N 3.42Å; E111-K113 VanDerWaalsContact C-N 3.32Å; E111-K113 PolarHBondContact O-N 3.17Å
114K70.9Confident80.5Confident102 Ų102117.8 Ų117.844%0.44359%0.592SS.*Hα-helixtrans-73.1-36.7174.9-73.5-179.1-170.3163.10112.9W110 E111 K116W110-K114 WeakPolarHBondContact O-CG 3.49Å; W110-K114 PolarHBondContact O-N 3.14Å; E111-K114 PolarHBondContact O-N 3.42Å; E111-K114 WeakPolarHBondContact OE1-CD 3.29Å; E111-K114 IonicContact OE1-NZ 2.66Å; E111-K114 PolarHBondContact OE1-NZ 3.12Å; K114-K116 PolarHBondContact O-N 2.89Å
115K67.1Low81.1Confident155 Ų155115 Ų11567%0.67457%0.571SS**  trans-84.294.3-175.2-84.5178.9174.1172.30111.9E111E111-K115 WeakPolarHBondContact O-CB 3.48Å; E111-K115 PolarHBondContact O-N 2.9Å
116K64.1Low81.6Confident209 Ų209119.2 Ų119.291%0.90958%0.58SS**  trans170.667.6133.2-89.4161.7-169-177.80108.9K114K114-K116 PolarHBondContact O-N 2.89Å
117K75.5Confident82.1Confident190 Ų190118.6 Ų118.683%0.82659%0.592SS**  trans-90.8114.2168.2-64.1-175.7-178-1790107.6P119K117-P119 VanDerWaalsContact O-CD 3.23Å; K117-P119 WeakPolarHBondContact O-CD 3.33Å
118N79.9Confident82.6Confident107 Ų107122 Ų12257%0.57260%0.601SS**  trans-109.975.8168.4-171.112.5000108.3R132N118-R132 PolarHBondContact ND2-NH1 2.8Å; N118-R132 PolarHBondContact ND2-NH2 3.5Å; N118-R132 PolarHBondContact O-NH2 3.39Å; N118-R132 VanDerWaalsContact OD1-CZ 3.24Å; N118-R132 PolarHBondContact OD1-NH1 3.02Å; N118-R132 PolarHBondContact OD1-NH2 3.46Å
119P87Confident83Confident87 Ų87119.7 Ų119.757%0.56560%0.598SS**  trans-62.2152.3177.728.9-34.4000110.1K117 R132K117-P119 VanDerWaalsContact O-CD 3.23Å; K117-P119 WeakPolarHBondContact O-CD 3.33Å; P119-R132 PolarHBondContact O-NH1 3.09Å; P119-R132 PolarHBondContact O-NH2 3.18Å
120D84.7Confident83.5Confident113 Ų113118 Ų11860%0.60460%0.596SS**  trans-84.2115.9171.1-170.8-2.8000108.3G122D120-G122 PolarHBondContact O-N 3.48Å; D120-G122 PolarHBondContact OD1-N 3.47Å
121T84.9Confident84.3Confident133 Ų133115.4 Ų115.482%0.81659%0.589SS**  trans-81.6-2.5-179.851.80000112.4
122G87.8Confident85Confident43 Ų43115 Ų11544%0.44358%0.584SS.*  trans100.4171.3-176.200000112.8D120 A124D120-G122 PolarHBondContact O-N 3.48Å; D120-G122 PolarHBondContact OD1-N 3.47Å; G122-A124 PolarHBondContact O-N 2.92Å
123F92.2Very high85.8Confident114 Ų114110.3 Ų110.350%0.557%0.569SS.*  trans-78.4106.8-177.6-179.9-102.2000111Y126 A129F123-Y126 AromaticContact CE2-CD1 4Å; F123-Y126 HydrophobicContact CE2-CD1 4Å; F123-Y126 HydrophobicContact CE2-CE1 4.14Å; F123-Y126 HydrophobicContact CE2-CG 4.4Å; F123-Y126 AromaticContact CZ-CD1 3.88Å; F123-Y126 HydrophobicContact CZ-CD1 3.88Å; F123-Y126 HydrophobicContact CZ-CD2 4.12Å; F123-Y126 AromaticContact CZ-CE1 3.8Å; F123-Y126 HydrophobicContact CZ-CE1 3.8Å; F123-Y126 HydrophobicContact CZ-CE2 4.05Å; F123-Y126 HydrophobicContact CZ-CG 4.04Å; F123-Y126 AromaticContact CZ-CZ 3.89Å; F123-A129 HydrophobicContact CE2-CB 4.45Å
124A91.9Very high86.9Confident93 Ų93108.8 Ų108.877%0.76956%0.56SS**  trans-89.7-41.317300000112.4G122G122-A124 PolarHBondContact O-N 2.92Å
125G95.1Very high88Confident23 Ų23107.2 Ų107.224%0.23755%0.554CS.*  trans-178.6167.1179.400000112A127 A129G125-A127 PolarHBondContact O-N 3.3Å; G125-A129 PolarHBondContact O-N 2.94Å; G125-A129 VanDerWaalsContact O-N 3.14Å
126Y94.8Very high89.2Confident193 Ų193103.5 Ų103.576%0.75754%0.536SS*.Hα-helixtrans-66.4-36.5-176.3-66.3-72.8000113.2F123 A129 Q130F123-Y126 AromaticContact CE2-CD1 4Å; F123-Y126 HydrophobicContact CE2-CD1 4Å; F123-Y126 HydrophobicContact CE2-CE1 4.14Å; F123-Y126 HydrophobicContact CE2-CG 4.4Å; F123-Y126 AromaticContact CZ-CD1 3.88Å; F123-Y126 HydrophobicContact CZ-CD1 3.88Å; F123-Y126 HydrophobicContact CZ-CD2 4.12Å; F123-Y126 AromaticContact CZ-CE1 3.8Å; F123-Y126 HydrophobicContact CZ-CE1 3.8Å; F123-Y126 HydrophobicContact CZ-CE2 4.05Å; F123-Y126 HydrophobicContact CZ-CG 4.04Å; F123-Y126 AromaticContact CZ-CZ 3.89Å; Y126-A129 PolarHBondContact O-N 2.87Å; Y126-Q130 VanDerWaalsContact O-CB 3.31Å; Y126-Q130 WeakPolarHBondContact O-CB 3.24Å; Y126-Q130 PolarHBondContact O-N 3.07Å
127A95.8Very high90.7Very high83 Ų8395 Ų9569%0.68650%0.5SS*.Hα-helixtrans-64.1-45.7178.700000112.1G125 Q130 F131G125-A127 PolarHBondContact O-N 3.3Å; A127-Q130 PolarHBondContact O-N 2.9Å; A127-F131 WeakPolarHBondContact O-CB 3.08Å; A127-F131 PolarHBondContact O-N 3.26Å
128E93.1Very high91.6Very high111 Ų11188.7 Ų88.752%0.51948%0.478SS..Hα-helixtrans-66.5-41.5178.7-173.757.5-148.700111.7Q130 F131 R132E128-Q130 VanDerWaalsContact C-N 3.32Å; E128-Q130 PolarHBondContact O-N 3.46Å; E128-F131 PolarHBondContact O-N 3.3Å; E128-R132 WeakPolarHBondContact O-CB 3.36Å; E128-R132 PolarHBondContact O-N 3.03Å
129A92Very high92.2Very high46 Ų4691.5 Ų91.538%0.3849%0.485SS..Hα-helixtrans-61.3-42.2174.600000111.7F123 G125 Y126 R132 Q133F123-A129 HydrophobicContact CE2-CB 4.45Å; G125-A129 PolarHBondContact O-N 2.94Å; G125-A129 VanDerWaalsContact O-N 3.14Å; Y126-A129 PolarHBondContact O-N 2.87Å; A129-R132 PolarHBondContact O-N 2.84Å; A129-Q133 PolarHBondContact O-N 3.32Å
130Q94.1Very high92.5Very high105 Ų10592.5 Ų92.549%0.49148%0.482SS..Hα-helixtrans-65.1-43.2175.6-178.960.326.800111.5Y126 A127 E128 R132 Q133 Y134Y126-Q130 VanDerWaalsContact O-CB 3.31Å; Y126-Q130 WeakPolarHBondContact O-CB 3.24Å; Y126-Q130 PolarHBondContact O-N 3.07Å; A127-Q130 PolarHBondContact O-N 2.9Å; E128-Q130 VanDerWaalsContact C-N 3.32Å; E128-Q130 PolarHBondContact O-N 3.46Å; Q130-R132 PolarHBondContact O-N 3.22Å; Q130-Q133 WeakPolarHBondContact O-CB 3.36Å; Q130-Q133 PolarHBondContact O-N 2.99Å; Q130-Y134 WeakPolarHBondContact O-CB 3.28Å; Q130-Y134 PolarHBondContact O-N 2.88Å
131F94.1Very high92.8Very high100 Ų10091.9 Ų91.944%0.43948%0.478SS..Hα-helixtrans-61.7-44.7177.8-179-115.3000111.4A127 E128 Q133 Y134 Q135A127-F131 WeakPolarHBondContact O-CB 3.08Å; A127-F131 PolarHBondContact O-N 3.26Å; E128-F131 PolarHBondContact O-N 3.3Å; F131-Q133 VanDerWaalsContact C-N 3.34Å; F131-Q133 PolarHBondContact O-N 3.41Å; F131-Y134 PolarHBondContact O-N 3.44Å; F131-Q135 HydrophobicContact CD1-CG 4.47Å; F131-Q135 HydrophobicContact CE1-CG 4.21Å; F131-Q135 HydrophobicContact CE2-CG 4.23Å; F131-Q135 HydrophobicContact CZ-CG 4.09Å; F131-Q135 WeakPolarHBondContact O-CB 3.44Å; F131-Q135 WeakPolarHBondContact O-CG 3.47Å; F131-Q135 PolarHBondContact O-N 3.08Å
132R92.3Very high93.1Very high73 Ų7396.4 Ų96.428%0.27548%0.48SS..Hα-helixtrans-60.5-42.2174.2-173.2-177.4-178.190.5-3112.1N118 P119 E128 A129 Q130 R136N118-R132 PolarHBondContact ND2-NH1 2.8Å; N118-R132 PolarHBondContact ND2-NH2 3.5Å; N118-R132 PolarHBondContact O-NH2 3.39Å; N118-R132 VanDerWaalsContact OD1-CZ 3.24Å; N118-R132 PolarHBondContact OD1-NH1 3.02Å; N118-R132 PolarHBondContact OD1-NH2 3.46Å; P119-R132 PolarHBondContact O-NH1 3.09Å; P119-R132 PolarHBondContact O-NH2 3.18Å; E128-R132 WeakPolarHBondContact O-CB 3.36Å; E128-R132 PolarHBondContact O-N 3.03Å; A129-R132 PolarHBondContact O-N 2.84Å; Q130-R132 PolarHBondContact O-N 3.22Å; R132-R136 PolarHBondContact O-N 3.07Å; R132-R136 VanDerWaalsContact O-N 3.13Å
133Q93.1Very high93.3Very high67 Ų6799.3 Ų99.331%0.31349%0.491SS..Hα-helixtrans-61.9-47.6173.6170.2176-13.600111.3A129 Q130 F131 R136 L137A129-Q133 PolarHBondContact O-N 3.32Å; Q130-Q133 WeakPolarHBondContact O-CB 3.36Å; Q130-Q133 PolarHBondContact O-N 2.99Å; F131-Q133 VanDerWaalsContact C-N 3.34Å; F131-Q133 PolarHBondContact O-N 3.41Å; Q133-R136 WeakPolarHBondContact O-CB 3.36Å; Q133-R136 PolarHBondContact O-N 2.78Å; Q133-R136 VanDerWaalsContact O-N 3.14Å; Q133-L137 HydrophobicContact CG-CD1 3.82Å; Q133-L137 HydrophobicContact CG-CG 4.33Å; Q133-L137 WeakPolarHBondContact O-CG 3.49Å; Q133-L137 PolarHBondContact O-N 3.11Å
134Y94.8Very high93.3Very high137 Ų13797.3 Ų97.354%0.53749%0.485SS..Hα-helixtrans-60.6-47.1179.9174.5-102.1000111.6Q130 F131 R136 L137 T138Q130-Y134 WeakPolarHBondContact O-CB 3.28Å; Q130-Y134 PolarHBondContact O-N 2.88Å; F131-Y134 PolarHBondContact O-N 3.44Å; Y134-R136 PolarHBondContact O-N 3.42Å; Y134-L137 PolarHBondContact O-N 2.8Å; Y134-L137 VanDerWaalsContact O-N 3.16Å; Y134-T138 HydrophobicContact CD1-CG2 4.18Å; Y134-T138 HydrophobicContact CD2-CG2 4.04Å; Y134-T138 HydrophobicContact CE1-CG2 3.72Å; Y134-T138 HydrophobicContact CE2-CG2 3.57Å; Y134-T138 HydrophobicContact CG-CG2 4.32Å; Y134-T138 WeakPolarHBondContact O-CB 3.2Å; Y134-T138 WeakPolarHBondContact O-CG2 3.31Å; Y134-T138 PolarHBondContact O-N 3.44Å; Y134-T138 PolarHBondContact O-OG1 3.28Å
135Q94.3Very high93.4Very high69 Ų6998.5 Ų98.532%0.32248%0.478SS..Hα-helixtrans-58.6-35.6174.2-75.1-169.8-13.300112.9F131 T138 K139F131-Q135 HydrophobicContact CD1-CG 4.47Å; F131-Q135 HydrophobicContact CE1-CG 4.21Å; F131-Q135 HydrophobicContact CE2-CG 4.23Å; F131-Q135 HydrophobicContact CZ-CG 4.09Å; F131-Q135 WeakPolarHBondContact O-CB 3.44Å; F131-Q135 WeakPolarHBondContact O-CG 3.47Å; F131-Q135 PolarHBondContact O-N 3.08Å; Q135-T138 VanDerWaalsContact CA-OG1 3.28Å; Q135-T138 WeakPolarHBondContact CA-OG1 3.47Å; Q135-T138 PolarHBondContact O-OG1 3.25Å; Q135-T138 VanDerWaalsContact O-OG1 3.06Å; Q135-K139 WeakPolarHBondContact O-CB 3.47Å; Q135-K139 WeakPolarHBondContact O-CD 3.4Å; Q135-K139 WeakPolarHBondContact O-CG 3.12Å; Q135-K139 PolarHBondContact O-N 2.97Å
136R92.8Very high93.3Very high78 Ų78103.9 Ų103.929%0.29450%0.497SS..Hα-helixtrans-69.5-46.2175.4-179.8-174.258.170.6-0.7111R132 Q133 Y134 K139 Q140 K191R132-R136 PolarHBondContact O-N 3.07Å; R132-R136 VanDerWaalsContact O-N 3.13Å; Q133-R136 WeakPolarHBondContact O-CB 3.36Å; Q133-R136 PolarHBondContact O-N 2.78Å; Q133-R136 VanDerWaalsContact O-N 3.14Å; Y134-R136 PolarHBondContact O-N 3.42Å; R136-K139 PolarHBondContact O-N 3.18Å; R136-Q140 VanDerWaalsContact O-CG 3.29Å; R136-Q140 WeakPolarHBondContact O-CG 3.09Å; R136-Q140 PolarHBondContact O-N 3.4Å; R136-K191 VanDerWaalsContact NH1-NZ 3.19Å
137L94.9Very high93.1Very high30 Ų3096.5 Ų96.516%0.15747%0.474CS..Hα-helixtrans-65-47.2-178.7-69.3171.5000111.2Q133 Y134 K139 Q140 I141 Q188Q133-L137 HydrophobicContact CG-CD1 3.82Å; Q133-L137 HydrophobicContact CG-CG 4.33Å; Q133-L137 WeakPolarHBondContact O-CG 3.49Å; Q133-L137 PolarHBondContact O-N 3.11Å; Y134-L137 PolarHBondContact O-N 2.8Å; Y134-L137 VanDerWaalsContact O-N 3.16Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.07Å; L137-Q140 WeakPolarHBondContact O-CA 3.42Å; L137-Q140 WeakPolarHBondContact O-CB 3.2Å; L137-Q140 PolarHBondContact O-N 2.82Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 3.15Å; L137-I141 VanDerWaalsContact O-N 3.08Å; L137-Q188 HydrophobicContact CD1-CG 4.27Å; L137-Q188 HydrophobicContact CD2-CG 3.87Å
138T94.1Very high92.9Very high58 Ų5897.8 Ų97.836%0.35646%0.462SS..Hα-helixtrans-57.1-37.4176.147.40000113.1Y134 Q135 Q140Y134-T138 HydrophobicContact CD1-CG2 4.18Å; Y134-T138 HydrophobicContact CD2-CG2 4.04Å; Y134-T138 HydrophobicContact CE1-CG2 3.72Å; Y134-T138 HydrophobicContact CE2-CG2 3.57Å; Y134-T138 HydrophobicContact CG-CG2 4.32Å; Y134-T138 WeakPolarHBondContact O-CB 3.2Å; Y134-T138 WeakPolarHBondContact O-CG2 3.31Å; Y134-T138 PolarHBondContact O-N 3.44Å; Y134-T138 PolarHBondContact O-OG1 3.28Å; Q135-T138 VanDerWaalsContact CA-OG1 3.28Å; Q135-T138 WeakPolarHBondContact CA-OG1 3.47Å; Q135-T138 PolarHBondContact O-OG1 3.25Å; Q135-T138 VanDerWaalsContact O-OG1 3.06Å; T138-Q140 VanDerWaalsContact C-N 3.3Å; T138-Q140 PolarHBondContact O-N 3.13Å
139K92.8Very high93Very high166 Ų16698 Ų9872%0.72246%0.462SS*.Hα-helixtrans-70.5-22.4173.9-74.1172.7-175.2172.20114.2Q135 R136 L137Q135-K139 WeakPolarHBondContact O-CB 3.47Å; Q135-K139 WeakPolarHBondContact O-CD 3.4Å; Q135-K139 WeakPolarHBondContact O-CG 3.12Å; Q135-K139 PolarHBondContact O-N 2.97Å; R136-K139 PolarHBondContact O-N 3.18Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.07Å
140Q92.4Very high93Very high108 Ų108102 Ų10251%0.50547%0.471SS..Hα-helixtrans-88.2-28.7-178.6-73.3-177.7-46.100112.4R136 L137 T138 R142R136-Q140 VanDerWaalsContact O-CG 3.29Å; R136-Q140 WeakPolarHBondContact O-CG 3.09Å; R136-Q140 PolarHBondContact O-N 3.4Å; L137-Q140 WeakPolarHBondContact O-CA 3.42Å; L137-Q140 WeakPolarHBondContact O-CB 3.2Å; L137-Q140 PolarHBondContact O-N 2.82Å; T138-Q140 VanDerWaalsContact C-N 3.3Å; T138-Q140 PolarHBondContact O-N 3.13Å; Q140-R142 PolarHBondContact O-N 3.48Å
141I91.8Very high92.8Very high100 Ų100101.2 Ų101.251%0.51347%0.468SS..  trans-64.7127.9178.1-63.6163.4000109.1L137L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 3.15Å; L137-I141 VanDerWaalsContact O-N 3.08Å
142R91.9Very high92.7Very high227 Ų227102.5 Ų102.586%0.85747%0.47SS*.  trans-113.1104.7173.3-59.2-174.892.1166.74.3108.2Q140Q140-R142 PolarHBondContact O-N 3.48Å
143P92.1Very high92.7Very high105 Ų105106.9 Ų106.968%0.68249%0.493SS*.  trans-63.9142178-20.933.1000111.2
144D92Very high92.5Very high72 Ų72111.3 Ų111.339%0.38551%0.514SS..  trans-89.2114.5168.3170.828.8000109Q146 S147 Y148D144-Q146 VanDerWaalsContact C-N 3.34Å; D144-Q146 PolarHBondContact OD1-N 3Å; D144-Q146 VanDerWaalsContact OD1-N 3.15Å; D144-S147 WeakPolarHBondContact CB-OG 3.48Å; D144-S147 VanDerWaalsContact CG-OG 3.24Å; D144-S147 PolarHBondContact O-OG 3.41Å; D144-S147 VanDerWaalsContact OD2-CB 3.26Å; D144-S147 WeakPolarHBondContact OD2-CB 3.39Å; D144-S147 PolarHBondContact OD2-N 3.04Å; D144-S147 PolarHBondContact OD2-OG 3.26Å; D144-Y148 WeakPolarHBondContact O-CB 3.2Å; D144-Y148 PolarHBondContact O-N 3.35Å
145L93.2Very high92.1Very high118 Ų118107.3 Ų107.362%0.61851%0.506SS*.Hα-helixtrans-72.3-29.6-175.7-62.2176.7000112.1Y148 E149L145-Y148 WeakPolarHBondContact O-CB 3.27Å; L145-Y148 PolarHBondContact O-N 3.48Å; L145-E149 WeakPolarHBondContact O-CG 3.49Å; L145-E149 PolarHBondContact O-N 3.34Å
146Q93.2Very high91.8Very high136 Ų136105.9 Ų105.964%0.63651%0.51SS*.Hα-helixtrans-70.9-45-177.7-66-174-12.400111.7D144 Y148 E149 K150D144-Q146 VanDerWaalsContact C-N 3.34Å; D144-Q146 PolarHBondContact OD1-N 3Å; D144-Q146 VanDerWaalsContact OD1-N 3.15Å; Q146-Y148 VanDerWaalsContact C-N 3.28Å; Q146-Y148 PolarHBondContact O-N 2.99Å; Q146-E149 PolarHBondContact O-N 3.21Å; Q146-K150 WeakPolarHBondContact O-CG 3.43Å; Q146-K150 PolarHBondContact O-N 2.9Å; Q146-K150 VanDerWaalsContact O-N 3.12Å
147S90.5Very high91.5Very high38 Ų38110.1 Ų110.127%0.26653%0.533SS..Hα-helixtrans-66.3-32.7174.449.90000112.3D144 Q151D144-S147 WeakPolarHBondContact CB-OG 3.48Å; D144-S147 VanDerWaalsContact CG-OG 3.24Å; D144-S147 PolarHBondContact O-OG 3.41Å; D144-S147 VanDerWaalsContact OD2-CB 3.26Å; D144-S147 WeakPolarHBondContact OD2-CB 3.39Å; D144-S147 PolarHBondContact OD2-N 3.04Å; D144-S147 PolarHBondContact OD2-OG 3.26Å; S147-Q151 WeakPolarHBondContact O-CB 3.47Å; S147-Q151 VanDerWaalsContact O-CG 3.27Å; S147-Q151 WeakPolarHBondContact O-CG 3.39Å; S147-Q151 PolarHBondContact O-N 2.7Å
148Y92.1Very high91Very high109 Ų109113.8 Ų113.843%0.42755%0.553SS.*Hα-helixtrans-63.7-47.1173.4177.9-93.1000112.3D144 L145 Q146 Q151 R152 F159D144-Y148 WeakPolarHBondContact O-CB 3.2Å; D144-Y148 PolarHBondContact O-N 3.35Å; L145-Y148 WeakPolarHBondContact O-CB 3.27Å; L145-Y148 PolarHBondContact O-N 3.48Å; Q146-Y148 VanDerWaalsContact C-N 3.28Å; Q146-Y148 PolarHBondContact O-N 2.99Å; Y148-Q151 PolarHBondContact O-N 2.82Å; Y148-R152 WeakPolarHBondContact O-CB 3.47Å; Y148-R152 PolarHBondContact O-N 3.13Å; Y148-F159 AromaticContact CD2-CZ 3.93Å; Y148-F159 HydrophobicContact CD2-CZ 3.93Å; Y148-F159 HydrophobicContact CE1-CE1 4.38Å; Y148-F159 HydrophobicContact CE1-CZ 4.34Å; Y148-F159 AromaticContact CE2-CE1 3.86Å; Y148-F159 HydrophobicContact CE2-CE1 3.86Å; Y148-F159 AromaticContact CE2-CZ 3.42Å; Y148-F159 HydrophobicContact CE2-CZ 3.42Å; Y148-F159 VanDerWaalsContact CE2-CZ 3.42Å; Y148-F159 AromaticContact CZ-CE1 3.64Å; Y148-F159 AromaticContact CZ-CZ 3.65Å; Y148-F159 WeakPolarHBondContact OH-CE1 3.41Å
149E94.3Very high90.8Very high115 Ų115112.9 Ų112.954%0.53754%0.544SS..Hα-helixtrans-62.3-43.1178-75171177.100112.1L145 Q146 Q151 R152 E153L145-E149 WeakPolarHBondContact O-CG 3.49Å; L145-E149 PolarHBondContact O-N 3.34Å; Q146-E149 PolarHBondContact O-N 3.21Å; E149-Q151 PolarHBondContact O-N 2.83Å; E149-R152 WeakPolarHBondContact O-CB 3.33Å; E149-R152 PolarHBondContact O-N 3.03Å; E149-E153 PolarHBondContact O-N 2.79Å
150K92.1Very high90.6Very high131 Ų131111.2 Ų111.257%0.5753%0.534SS*.Hα-helixtrans-59.6-47.4174.9-71178-178.8-177.80112.4Q146 R152 E153 E154Q146-K150 WeakPolarHBondContact O-CG 3.43Å; Q146-K150 PolarHBondContact O-N 2.9Å; Q146-K150 VanDerWaalsContact O-N 3.12Å; K150-R152 VanDerWaalsContact C-N 3.26Å; K150-R152 PolarHBondContact O-N 2.99Å; K150-E153 PolarHBondContact O-N 2.96Å; K150-E154 WeakPolarHBondContact O-CG 3.5Å; K150-E154 PolarHBondContact O-N 3.39Å
151Q89.6Confident90.4Very high89 Ų89109.9 Ų109.942%0.41654%0.535SS..Hα-helixtrans-63.4-34.1177.7-73.6171.824.300112.3S147 Y148 E149 S155 F159S147-Q151 WeakPolarHBondContact O-CB 3.47Å; S147-Q151 VanDerWaalsContact O-CG 3.27Å; S147-Q151 WeakPolarHBondContact O-CG 3.39Å; S147-Q151 PolarHBondContact O-N 2.7Å; Y148-Q151 PolarHBondContact O-N 2.82Å; E149-Q151 PolarHBondContact O-N 2.83Å; Q151-S155 VanDerWaalsContact O-CB 3.25Å; Q151-S155 WeakPolarHBondContact O-CB 3.44Å; Q151-S155 PolarHBondContact O-N 3.01Å; Q151-S155 PolarHBondContact O-OG 2.88Å; Q151-F159 HydrophobicContact CB-CE2 4.17Å
152R92.4Very high90.3Very high127 Ų127110.1 Ų110.148%0.47954%0.542SS..Hα-helixtrans-66.3-43.5175.4-176.5-176.9177-150.2-3.1111.9Y148 E149 K150 G156 F159 Y160Y148-R152 WeakPolarHBondContact O-CB 3.47Å; Y148-R152 PolarHBondContact O-N 3.13Å; E149-R152 WeakPolarHBondContact O-CB 3.33Å; E149-R152 PolarHBondContact O-N 3.03Å; K150-R152 VanDerWaalsContact C-N 3.26Å; K150-R152 PolarHBondContact O-N 2.99Å; R152-G156 PolarHBondContact O-N 2.95Å; R152-F159 HydrophobicContact CB-CD1 4.18Å; R152-F159 HydrophobicContact CB-CD2 4.17Å; R152-F159 HydrophobicContact CB-CE1 4.04Å; R152-F159 HydrophobicContact CB-CE2 4.03Å; R152-F159 HydrophobicContact CB-CG 4.23Å; R152-F159 HydrophobicContact CB-CZ 3.95Å; R152-F159 HydrophobicContact CG-CD1 3.86Å; R152-F159 HydrophobicContact CG-CE1 4.03Å; R152-F159 HydrophobicContact CG-CG 4.13Å; R152-F159 HydrophobicContact CG-CZ 4.45Å; R152-Y160 PolarHBondContact NE-OH 2.94Å
153E92.6Very high90.2Very high164 Ų164105 Ų10577%0.76654%0.54SS*.Hα-helixtrans-65.9-42.2175.8-71.7-179.1174.600112.1E149 K150E149-E153 PolarHBondContact O-N 2.79Å; K150-E153 PolarHBondContact O-N 2.96Å
154E89.5Confident89.9Confident160 Ų160107 Ų10775%0.74855%0.546SS*.Hα-helixtrans-65.3-39.9178.5-73.3171.3-176.200112.8K150K150-E154 WeakPolarHBondContact O-CG 3.5Å; K150-E154 PolarHBondContact O-N 3.39Å
155S86.3Confident89.6Confident53 Ų53105.4 Ų105.437%0.37154%0.54SS..Hα-helixtrans-89.4-16.4-175.9-50.50000113.3Q151 E157 D158Q151-S155 VanDerWaalsContact O-CB 3.25Å; Q151-S155 WeakPolarHBondContact O-CB 3.44Å; Q151-S155 PolarHBondContact O-N 3.01Å; Q151-S155 PolarHBondContact O-OG 2.88Å; S155-E157 PolarHBondContact O-N 2.93Å; S155-D158 WeakPolarHBondContact O-CB 3.26Å; S155-D158 PolarHBondContact O-N 3.21Å
156G88.4Confident89Confident40 Ų40108 Ų10841%0.41255%0.553SS.*G310 helixtrans53.5-122.717700000113.4R152 F159R152-G156 PolarHBondContact O-N 2.95Å; G156-F159 VanDerWaalsContact O-CB 3.23Å; G156-F159 WeakPolarHBondContact O-CB 3.17Å; G156-F159 PolarHBondContact O-N 3.5Å
157E84.6Confident88.2Confident167 Ų167104 Ų10478%0.7854%0.54SS*.G310 helixtrans-70.7-30.7179.2-166.964.3-163.200112.4S155 F159 Y160S155-E157 PolarHBondContact O-N 2.93Å; E157-F159 PolarHBondContact O-N 3.3Å; E157-F159 VanDerWaalsContact O-N 3.11Å; E157-Y160 PolarHBondContact O-N 3.5Å
158D85.9Confident87.7Confident107 Ų107112.7 Ų112.757%0.57257%0.569SS**G310 helixtrans-70.4-7179.1-68.8-26.7000112.8S155 Y160S155-D158 WeakPolarHBondContact O-CB 3.26Å; S155-D158 PolarHBondContact O-N 3.21Å; D158-Y160 PolarHBondContact O-N 3.37Å
159F88.3Confident87.3Confident39 Ų39110.9 Ų110.917%0.17158%0.584CS.*G310 helixtrans-66.2-24.1176.9-169.6-104.9000113.6Y148 Q151 R152 G156 E157 P161Y148-F159 AromaticContact CD2-CZ 3.93Å; Y148-F159 HydrophobicContact CD2-CZ 3.93Å; Y148-F159 HydrophobicContact CE1-CE1 4.38Å; Y148-F159 HydrophobicContact CE1-CZ 4.34Å; Y148-F159 AromaticContact CE2-CE1 3.86Å; Y148-F159 HydrophobicContact CE2-CE1 3.86Å; Y148-F159 AromaticContact CE2-CZ 3.42Å; Y148-F159 HydrophobicContact CE2-CZ 3.42Å; Y148-F159 VanDerWaalsContact CE2-CZ 3.42Å; Y148-F159 AromaticContact CZ-CE1 3.64Å; Y148-F159 AromaticContact CZ-CZ 3.65Å; Y148-F159 WeakPolarHBondContact OH-CE1 3.41Å; Q151-F159 HydrophobicContact CB-CE2 4.17Å; R152-F159 HydrophobicContact CB-CD1 4.18Å; R152-F159 HydrophobicContact CB-CD2 4.17Å; R152-F159 HydrophobicContact CB-CE1 4.04Å; R152-F159 HydrophobicContact CB-CE2 4.03Å; R152-F159 HydrophobicContact CB-CG 4.23Å; R152-F159 HydrophobicContact CB-CZ 3.95Å; R152-F159 HydrophobicContact CG-CD1 3.86Å; R152-F159 HydrophobicContact CG-CE1 4.03Å; R152-F159 HydrophobicContact CG-CG 4.13Å; R152-F159 HydrophobicContact CG-CZ 4.45Å; G156-F159 VanDerWaalsContact O-CB 3.23Å; G156-F159 WeakPolarHBondContact O-CB 3.17Å; G156-F159 PolarHBondContact O-N 3.5Å; E157-F159 PolarHBondContact O-N 3.3Å; E157-F159 VanDerWaalsContact O-N 3.11Å; F159-P161 WeakPolarHBondContact O-CD 3.4Å
160Y89.7Confident86.9Confident130 Ų130110.1 Ų110.151%0.5159%0.591SS.*SBendtrans-109.569.8177.1-59.1-68.8000110.6R152 E157 D158R152-Y160 PolarHBondContact NE-OH 2.94Å; E157-Y160 PolarHBondContact O-N 3.5Å; D158-Y160 PolarHBondContact O-N 3.37Å
161P89Confident86.7Confident80 Ų80110.4 Ų110.452%0.51959%0.594SS.*  trans-68.9140.4-175.529.5-35.8000111.4F159F159-P161 WeakPolarHBondContact O-CD 3.4Å
162T88.8Confident86.7Confident106 Ų106112.2 Ų112.265%0.6561%0.611SS**  trans-88.3170.6164.8630000110.3N164 S165T162-N164 PolarHBondContact O-N 3.43Å; T162-S165 WeakPolarHBondContact O-CB 3.25Å; T162-S165 PolarHBondContact O-N 3.29Å
163S89.3Confident86.7Confident118 Ų118109.1 Ų109.183%0.82561%0.607SS**THydrogen-bonded Turntrans-55.2-23.1-178.860.90000114.4
164N86.9Confident86.7Confident149 Ų149106 Ų10680%0.79760%0.6SS**THydrogen-bonded Turntrans-108.112.4-177.1-56.6-16.3000112.6T162T162-N164 PolarHBondContact O-N 3.43Å
165S84.3Confident86.9Confident38 Ų38106.3 Ų106.327%0.26660%0.598SS.*  trans-66.4141.9176.8-1700000111.3T162 S167T162-S165 WeakPolarHBondContact O-CB 3.25Å; T162-S165 PolarHBondContact O-N 3.29Å; S165-S167 VanDerWaalsContact C-N 3.29Å; S165-S167 PolarHBondContact O-N 3.25Å; S165-S167 PolarHBondContact OG-OG 3.36Å
166L81.9Confident87.2Confident172 Ų172109.4 Ų109.490%0.90161%0.611SS**SBendtrans-79.4-11.7179.3-169.760.6000112.9Y168L166-Y168 PolarHBondContact O-N 3.01Å
167S76.2Confident87.4Confident52 Ų52108.5 Ų108.536%0.36460%0.601SS.*  trans-75.346.7-178.755.90000113.9S165S165-S167 VanDerWaalsContact C-N 3.29Å; S165-S167 PolarHBondContact O-N 3.25Å; S165-S167 PolarHBondContact OG-OG 3.36Å
168Y80.3Confident87.9Confident220 Ų220104 Ų10486%0.86358%0.582SS**  trans-117.3132.7179-177-100.8000111.6L166L166-Y168 PolarHBondContact O-N 3.01Å
169G83.8Confident88.4Confident72 Ų72103.7 Ų103.774%0.74258%0.58SS**SBendtrans91.7-1.4173.500000116.4
170S85.1Confident88.7Confident99 Ų99108.3 Ų108.369%0.69260%0.597SS**  trans-89.1-11.2174.755.20000114.1V172S170-V172 PolarHBondContact O-N 3Å
171H88.2Confident88.9Confident136 Ų136107.2 Ų107.263%0.6360%0.598SS**  trans-72.5117.2-176.4-17767.3000111.6
172V90.4Very high89.3Confident127 Ų127106.3 Ų106.377%0.7759%0.591SS**  trans-106.7108.3169.9-177.60000107.9S170S170-V172 PolarHBondContact O-N 3Å
173P90.8Very high89.7Confident62 Ų62105.9 Ų105.940%0.40358%0.581SS.*  trans-62.5150.9179.6-21.832.1000112.2I178P173-I178 HydrophobicContact CB-CD1 4.4Å; P173-I178 HydrophobicContact CB-CG1 4.03Å
174T93.3Very high89.9Confident99 Ų99103.4 Ų103.461%0.60756%0.559SS**  trans-67.7151.3168.753.10000110.6D176 G177 I178T174-D176 VanDerWaalsContact C-N 3.3Å; T174-D176 PolarHBondContact O-N 3.11Å; T174-G177 WeakPolarHBondContact O-CA 3.31Å; T174-G177 PolarHBondContact O-N 3.16Å; T174-G177 PolarHBondContact OG1-N 2.89Å; T174-I178 PolarHBondContact O-N 2.99Å; T174-I178 VanDerWaalsContact O-N 3.14Å
175K94.5Very high90.4Very high166 Ų16699.5 Ų99.572%0.72254%0.54SS*.Hα-helixtrans-55.6-45.7178.3-66-175.6179-178.80111.6G177 I178 D179K175-G177 PolarHBondContact O-N 3.5Å; K175-I178 WeakPolarHBondContact O-CA 3.26Å; K175-I178 WeakPolarHBondContact O-CB 3.2Å; K175-I178 PolarHBondContact O-N 3.46Å; K175-D179 PolarHBondContact O-N 3.32Å
176D92.6Very high91Very high118 Ų118103 Ų10363%0.63155%0.552SS**Hα-helixtrans-60-30.1175.9-56.67.1000113.3T174 R180T174-D176 VanDerWaalsContact C-N 3.3Å; T174-D176 PolarHBondContact O-N 3.11Å; D176-R180 VanDerWaalsContact O-CG 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.45Å; D176-R180 PolarHBondContact O-N 3.21Å; D176-R180 PolarHBondContact O-NE 3.31Å
177G91.9Very high91.7Very high21 Ų2199 Ų9922%0.21653%0.527CS..Hα-helixtrans-68.7-42.1172.800000112.2T174 K175 M181T174-G177 WeakPolarHBondContact O-CA 3.31Å; T174-G177 PolarHBondContact O-N 3.16Å; T174-G177 PolarHBondContact OG1-N 2.89Å; K175-G177 PolarHBondContact O-N 3.5Å; G177-M181 PolarHBondContact O-N 2.9Å
178I95.4Very high92.6Very high72 Ų7299.4 Ų99.437%0.36952%0.524SS..Hα-helixtrans-65.4-46.1177-61.5170.8000110.1P173 T174 K175 R180 M181 V182P173-I178 HydrophobicContact CB-CD1 4.4Å; P173-I178 HydrophobicContact CB-CG1 4.03Å; T174-I178 PolarHBondContact O-N 2.99Å; T174-I178 VanDerWaalsContact O-N 3.14Å; K175-I178 WeakPolarHBondContact O-CA 3.26Å; K175-I178 WeakPolarHBondContact O-CB 3.2Å; K175-I178 PolarHBondContact O-N 3.46Å; I178-R180 PolarHBondContact O-N 3.15Å; I178-M181 HydrophobicContact CG2-CE 4.09Å; I178-M181 WeakPolarHBondContact O-CB 3.34Å; I178-M181 PolarHBondContact O-N 3.11Å; I178-M181 VanDerWaalsContact O-N 3.12Å; I178-V182 HydrophobicContact CG2-CG2 4.32Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 3.48Å
179D96.2Very high93.3Very high101 Ų10194 Ų9454%0.5451%0.509SS..Hα-helixtrans-61.7-42.3-178.5-67.1-24.5000111.8K175 M181 V182 E183K175-D179 PolarHBondContact O-N 3.32Å; D179-M181 VanDerWaalsContact C-N 3.33Å; D179-M181 PolarHBondContact O-N 2.95Å; D179-V182 PolarHBondContact O-N 2.69Å; D179-E183 PolarHBondContact O-N 3.19Å
180R93.8Very high93.9Very high136 Ų13695.7 Ų95.751%0.51350%0.497SS..Hα-helixtrans-60.6-41.2173.9-75-177.6-66.6168.8-0.9112.6D176 I178 D184D176-R180 VanDerWaalsContact O-CG 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.45Å; D176-R180 PolarHBondContact O-N 3.21Å; D176-R180 PolarHBondContact O-NE 3.31Å; I178-R180 PolarHBondContact O-N 3.15Å; R180-D184 PolarHBondContact O-N 3.35Å; R180-D184 VanDerWaalsContact O-N 3.09Å
181M94.2Very high94.3Very high108 Ų10895.5 Ų95.553%0.53248%0.484SS..Hα-helixtrans-65.3-43.5176.4174.2-154.358.600111.1G177 I178 D179 D184 V185G177-M181 PolarHBondContact O-N 2.9Å; I178-M181 HydrophobicContact CG2-CE 4.09Å; I178-M181 WeakPolarHBondContact O-CB 3.34Å; I178-M181 PolarHBondContact O-N 3.11Å; I178-M181 VanDerWaalsContact O-N 3.12Å; D179-M181 VanDerWaalsContact C-N 3.33Å; D179-M181 PolarHBondContact O-N 2.95Å; M181-D184 PolarHBondContact O-N 2.89Å; M181-V185 WeakPolarHBondContact O-CG2 3.46Å; M181-V185 PolarHBondContact O-N 3.39Å
182V97.4Very high94.5Very high61 Ų6199.1 Ų99.137%0.3749%0.492SS..Hα-helixtrans-59.6-48.6177.6171.60000110.3I178 D179 D184 V185 E186I178-V182 HydrophobicContact CG2-CG2 4.32Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 3.48Å; D179-V182 PolarHBondContact O-N 2.69Å; V182-D184 VanDerWaalsContact C-N 3.29Å; V182-D184 PolarHBondContact O-N 3.31Å; V182-V185 PolarHBondContact O-N 3.35Å; V182-V185 VanDerWaalsContact O-N 3.08Å; V182-E186 HydrophobicContact CG1-CG 4.44Å; V182-E186 WeakPolarHBondContact O-CG 3.4Å; V182-E186 PolarHBondContact O-N 3.2Å
183E96.4Very high94.6Very high97 Ų9796.9 Ų96.945%0.45349%0.487SS..Hα-helixtrans-57.9-42178-164.5-164.7161.500111.8D179 E186 K187D179-E183 PolarHBondContact O-N 3.19Å; E183-E186 PolarHBondContact O-N 3.38Å; E183-K187 WeakPolarHBondContact O-CB 3.29Å; E183-K187 VanDerWaalsContact O-CG 3.26Å; E183-K187 WeakPolarHBondContact O-CG 3.43Å; E183-K187 PolarHBondContact O-N 3.05Å; E183-K187 WeakPolarHBondContact OE1-CE 3.22Å; E183-K187 IonicContact OE1-NZ 3.35Å; E183-K187 PolarHBondContact OE1-NZ 3.44Å; E183-K187 IonicContact OE2-NZ 3.33Å
184D95.3Very high94.7Very high66 Ų66100.3 Ų100.335%0.35350%0.495SS..Hα-helixtrans-68.3-33.1177.3-88.62.2000113.2R180 M181 V182 K187 Q188R180-D184 PolarHBondContact O-N 3.35Å; R180-D184 VanDerWaalsContact O-N 3.09Å; M181-D184 PolarHBondContact O-N 2.89Å; V182-D184 VanDerWaalsContact C-N 3.29Å; V182-D184 PolarHBondContact O-N 3.31Å; D184-K187 IonicContact OD1-NZ 3.82Å; D184-Q188 VanDerWaalsContact O-CG 3.23Å; D184-Q188 WeakPolarHBondContact O-CG 3.28Å; D184-Q188 PolarHBondContact O-N 3.35Å; D184-Q188 VanDerWaalsContact O-N 3.12Å; D184-Q188 PolarHBondContact O-NE2 3.1Å
185V96.3Very high94.5Very high67 Ų67104 Ų10441%0.40650%0.499SS..Hα-helixtrans-69.4-43.7173.6170.30000110.7M181 V182 K187 Q188 I189M181-V185 WeakPolarHBondContact O-CG2 3.46Å; M181-V185 PolarHBondContact O-N 3.39Å; V182-V185 PolarHBondContact O-N 3.35Å; V182-V185 VanDerWaalsContact O-N 3.08Å; V185-K187 PolarHBondContact O-N 3.3Å; V185-Q188 WeakPolarHBondContact O-CA 3.49Å; V185-Q188 WeakPolarHBondContact O-CB 3.43Å; V185-Q188 PolarHBondContact O-N 3.2Å; V185-Q188 VanDerWaalsContact O-N 3.08Å; V185-I189 HydrophobicContact CG1-CD1 3.99Å; V185-I189 WeakPolarHBondContact O-CG1 3.48Å; V185-I189 PolarHBondContact O-N 3.35Å
186E97.2Very high94.2Very high111 Ų111101 Ų10152%0.51950%0.5SS..Hα-helixtrans-60.3-46.3176.2-71.3178.4163.900111.2V182 E183 Q188 I189 E190V182-E186 HydrophobicContact CG1-CG 4.44Å; V182-E186 WeakPolarHBondContact O-CG 3.4Å; V182-E186 PolarHBondContact O-N 3.2Å; E183-E186 PolarHBondContact O-N 3.38Å; E186-Q188 PolarHBondContact O-N 3.16Å; E186-I189 WeakPolarHBondContact O-CB 3.35Å; E186-I189 PolarHBondContact O-N 2.67Å; E186-I189 VanDerWaalsContact O-N 3.09Å; E186-E190 PolarHBondContact O-N 2.9Å
187K96.1Very high93.9Very high88 Ų88106 Ų10638%0.38351%0.51SS..Hα-helixtrans-57.1-36.7173.1-73.7167.8-174158.80112.5E183 D184 V185 K191E183-K187 WeakPolarHBondContact O-CB 3.29Å; E183-K187 VanDerWaalsContact O-CG 3.26Å; E183-K187 WeakPolarHBondContact O-CG 3.43Å; E183-K187 PolarHBondContact O-N 3.05Å; E183-K187 WeakPolarHBondContact OE1-CE 3.22Å; E183-K187 IonicContact OE1-NZ 3.35Å; E183-K187 PolarHBondContact OE1-NZ 3.44Å; E183-K187 IonicContact OE2-NZ 3.33Å; D184-K187 IonicContact OD1-NZ 3.82Å; V185-K187 PolarHBondContact O-N 3.3Å; K187-K191 WeakPolarHBondContact O-CG 3.29Å; K187-K191 PolarHBondContact O-N 2.91Å; K187-K191 VanDerWaalsContact O-N 3.12Å
188Q95.1Very high93.6Very high60 Ų60116 Ų11628%0.2854%0.541SS..Hα-helixtrans-68.4-43.1175.8-75173.466.900112L137 D184 V185 E186 K191 R192L137-Q188 HydrophobicContact CD1-CG 4.27Å; L137-Q188 HydrophobicContact CD2-CG 3.87Å; D184-Q188 VanDerWaalsContact O-CG 3.23Å; D184-Q188 WeakPolarHBondContact O-CG 3.28Å; D184-Q188 PolarHBondContact O-N 3.35Å; D184-Q188 VanDerWaalsContact O-N 3.12Å; D184-Q188 PolarHBondContact O-NE2 3.1Å; V185-Q188 WeakPolarHBondContact O-CA 3.49Å; V185-Q188 WeakPolarHBondContact O-CB 3.43Å; V185-Q188 PolarHBondContact O-N 3.2Å; V185-Q188 VanDerWaalsContact O-N 3.08Å; E186-Q188 PolarHBondContact O-N 3.16Å; Q188-K191 PolarHBondContact O-N 2.77Å; Q188-R192 WeakPolarHBondContact O-CB 3.47Å; Q188-R192 PolarHBondContact O-N 3.31Å
189I95.6Very high93.2Very high107 Ų107123.3 Ų123.355%0.54956%0.564SS.*Hα-helixtrans-61-46.2176.4-67.7167.4000110.3V185 E186 K191 R192 A193V185-I189 HydrophobicContact CG1-CD1 3.99Å; V185-I189 WeakPolarHBondContact O-CG1 3.48Å; V185-I189 PolarHBondContact O-N 3.35Å; E186-I189 WeakPolarHBondContact O-CB 3.35Å; E186-I189 PolarHBondContact O-N 2.67Å; E186-I189 VanDerWaalsContact O-N 3.09Å; I189-K191 PolarHBondContact O-N 3.1Å; I189-R192 WeakPolarHBondContact O-CB 3.47Å; I189-R192 PolarHBondContact O-N 3.31Å; I189-R192 VanDerWaalsContact O-N 3.17Å; I189-A193 PolarHBondContact O-N 2.9Å
190E95.8Very high92.7Very high108 Ų108123.3 Ų123.351%0.50558%0.578SS.*Hα-helixtrans-60.1-44.1177-73.7-170-167.500112.8E186 R192 A193 K194E186-E190 PolarHBondContact O-N 2.9Å; E190-R192 VanDerWaalsContact C-N 3.3Å; E190-R192 PolarHBondContact O-N 3.19Å; E190-A193 PolarHBondContact O-N 3.09Å; E190-K194 WeakPolarHBondContact O-CG 3.39Å; E190-K194 PolarHBondContact O-N 3.28Å; E190-K194 VanDerWaalsContact O-N 3.16Å; E190-K194 IonicContact OE2-NZ 3.1Å; E190-K194 PolarHBondContact OE2-NZ 3.48Å
191K93.3Very high92.3Very high95 Ų95123.3 Ų123.341%0.41358%0.579SS.*Hα-helixtrans-62.6-39.6176.4-80.4-173.5177.1-175.90111.4R136 K187 Q188 I189 K194 Y195R136-K191 VanDerWaalsContact NH1-NZ 3.19Å; K187-K191 WeakPolarHBondContact O-CG 3.29Å; K187-K191 PolarHBondContact O-N 2.91Å; K187-K191 VanDerWaalsContact O-N 3.12Å; Q188-K191 PolarHBondContact O-N 2.77Å; I189-K191 PolarHBondContact O-N 3.1Å; K191-K194 PolarHBondContact O-N 2.88Å; K191-Y195 PolarHBondContact O-N 3.04Å
192R92.6Very high92Very high211 Ų211122.5 Ų122.580%0.79658%0.577SS**Hα-helixtrans-64.9-41.7176.3-174.3179.3178.4-178.6-0.2111.6Q188 I189 E190 K194 Y195Q188-R192 WeakPolarHBondContact O-CB 3.47Å; Q188-R192 PolarHBondContact O-N 3.31Å; I189-R192 WeakPolarHBondContact O-CB 3.47Å; I189-R192 PolarHBondContact O-N 3.31Å; I189-R192 VanDerWaalsContact O-N 3.17Å; E190-R192 VanDerWaalsContact C-N 3.3Å; E190-R192 PolarHBondContact O-N 3.19Å; R192-K194 PolarHBondContact O-N 3.03Å; R192-Y195 WeakPolarHBondContact O-CB 3.37Å; R192-Y195 PolarHBondContact O-N 3.4Å; R192-Y195 VanDerWaalsContact O-N 3.14Å
193A92.9Very high91.5Very high80 Ų80125.3 Ų125.366%0.66159%0.59SS**Hα-helixtrans-60.9-34.5176.600000112.3I189 E190 Y195I189-A193 PolarHBondContact O-N 2.9Å; E190-A193 PolarHBondContact O-N 3.09Å; A193-Y195 VanDerWaalsContact C-N 3.3Å; A193-Y195 PolarHBondContact O-N 3.01Å
194K92.8Very high91.1Very high134 Ų134127.4 Ų127.458%0.58360%0.604SS**THydrogen-bonded Turntrans-80.6-1179-66.6164.4-174.5162.70114.1E190 K191 R192 S196 R197E190-K194 WeakPolarHBondContact O-CG 3.39Å; E190-K194 PolarHBondContact O-N 3.28Å; E190-K194 VanDerWaalsContact O-N 3.16Å; E190-K194 IonicContact OE2-NZ 3.1Å; E190-K194 PolarHBondContact OE2-NZ 3.48Å; K191-K194 PolarHBondContact O-N 2.88Å; R192-K194 PolarHBondContact O-N 3.03Å; K194-S196 PolarHBondContact O-N 2.83Å; K194-R197 WeakPolarHBondContact O-CG 3.23Å
195Y88.9Confident90.8Very high176 Ų176126.6 Ų126.669%0.6961%0.606SS**SBendtrans-60.9-43.9-177.4-177.1-104.5000112.7K191 R192 A193K191-Y195 PolarHBondContact O-N 3.04Å; R192-Y195 WeakPolarHBondContact O-CB 3.37Å; R192-Y195 PolarHBondContact O-N 3.4Å; R192-Y195 VanDerWaalsContact O-N 3.14Å; A193-Y195 VanDerWaalsContact C-N 3.3Å; A193-Y195 PolarHBondContact O-N 3.01Å
196S87.6Confident90.3Very high105 Ų105131.2 Ų131.273%0.73463%0.629SS**SBendtrans-98.695.5175.8177.50000110.6K194K194-S196 PolarHBondContact O-N 2.83Å
197R87.6Confident89.9Confident221 Ų221130.9 Ų130.983%0.83463%0.629SS**PPolyproline II helixtrans-78.9132.8178.4-56.2179.185.4-178.34.8110.6K194 R199K194-R197 WeakPolarHBondContact O-CG 3.23Å; R197-R199 PolarHBondContact O-N 2.98Å
198R85.3Confident89.5Confident232 Ų232131.9 Ų131.988%0.87564%0.639SS**PPolyproline II helixtrans-66.9132.2172.7-70.5-174.8177.9-111.12.5109.3
199R86.5Confident89.3Confident226 Ų226131.8 Ų131.885%0.85364%0.636SS**PPolyproline II helixtrans-78.7144.2169.6-64.3179.2-176.1165.2-1.2108.5R197 Y201R197-R199 PolarHBondContact O-N 2.98Å; R199-Y201 PolarHBondContact O-N 2.86Å
200A86.8Confident89.1Confident101 Ų101134.6 Ų134.684%0.83565%0.651SS**PPolyproline II helixtrans-56.4138.5174.600000109.9
201Y85.4Confident89Confident136 Ų136133.5 Ų133.553%0.53365%0.649SS.*PPolyproline II helixtrans-78.4130.5172.3-175.1-103.9000108.1R199 D203 Y209R199-Y201 PolarHBondContact O-N 2.86Å; Y201-D203 HydrophobicContact CD1-CB 4.46Å; Y201-D203 HydrophobicContact CE1-CB 4.12Å; Y201-Y209 VanDerWaalsContact CE2-OH 3.25Å; Y201-Y209 WeakPolarHBondContact CE2-OH 3.22Å; Y201-Y209 PolarHBondContact OH-OH 3.18Å
202N86.7Confident88.8Confident91 Ų91134.5 Ų134.549%0.48766%0.655SS.*PPolyproline II helixtrans-103116.6171.3-172.712.3000106.9D204 A205N202-D204 PolarHBondContact OD1-N 3.43Å; N202-A205 HydrophobicContact CB-CB 4.36Å
203D87.5Confident88.9Confident120 Ų120134.7 Ų134.764%0.64266%0.655SS**THydrogen-bonded Turntrans-76.5-23.2179.351.9-24.1000113Y201 A205Y201-D203 HydrophobicContact CD1-CB 4.46Å; Y201-D203 HydrophobicContact CE1-CB 4.12Å; D203-A205 VanDerWaalsContact C-N 3.25Å; D203-A205 PolarHBondContact O-N 2.88Å
204D88.8Confident88.9Confident141 Ų141133.4 Ų133.475%0.75464%0.637SS**THydrogen-bonded Turntrans-77.8-5.8175.9-65.2-32.2000113.9N202N202-D204 PolarHBondContact OD1-N 3.43Å
205A87.3Confident88.8Confident49 Ų49127.3 Ų127.341%0.40561%0.612SS.*SBendtrans-79.6137.1-17900000111.5N202 D203 I207N202-A205 HydrophobicContact CB-CB 4.36Å; D203-A205 VanDerWaalsContact C-N 3.25Å; D203-A205 PolarHBondContact O-N 2.88Å; A205-I207 PolarHBondContact O-N 2.85Å
206D86.9Confident89Confident163 Ų163124.8 Ų124.887%0.87260%0.604SS**  trans-55.1123.1175.6-65.1-39.1000111.4D208D206-D208 PolarHBondContact O-N 3.45Å
207I88.8Confident89.4Confident104 Ų104126.2 Ų126.253%0.53360%0.598SS.*  trans-87.6104.7-175.3-58.4173000108.9A205 Y209A205-I207 PolarHBondContact O-N 2.85Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 HydrophobicContact CG2-CD1 4.09Å; I207-Y209 HydrophobicContact CG2-CD2 4.13Å; I207-Y209 HydrophobicContact CG2-CE1 4.01Å; I207-Y209 HydrophobicContact CG2-CE2 4.02Å; I207-Y209 HydrophobicContact CG2-CG 4.16Å; I207-Y209 VanDerWaalsContact CG2-O 3.26Å; I207-Y209 WeakPolarHBondContact CG2-O 3.49Å
208D88Confident89.6Confident109 Ų109117.2 Ų117.258%0.58357%0.566SS**  trans-90.410.4177.870.15.4000114D206 N218D206-D208 PolarHBondContact O-N 3.45Å; D208-N218 VanDerWaalsContact CG-ND2 3.27Å; D208-N218 PolarHBondContact O-ND2 3.1Å; D208-N218 PolarHBondContact OD1-ND2 3.33Å
209Y90.6Very high90Very high58 Ų58111.7 Ų111.723%0.22755%0.548CS..  trans-137.5150.1-171.663.2-98000113.6Y201 I207 A215Y201-Y209 VanDerWaalsContact CE2-OH 3.25Å; Y201-Y209 WeakPolarHBondContact CE2-OH 3.22Å; Y201-Y209 PolarHBondContact OH-OH 3.18Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 HydrophobicContact CG2-CD1 4.09Å; I207-Y209 HydrophobicContact CG2-CD2 4.13Å; I207-Y209 HydrophobicContact CG2-CE1 4.01Å; I207-Y209 HydrophobicContact CG2-CE2 4.02Å; I207-Y209 HydrophobicContact CG2-CG 4.16Å; I207-Y209 VanDerWaalsContact CG2-O 3.26Å; I207-Y209 WeakPolarHBondContact CG2-O 3.49Å; Y209-A215 HydrophobicContact CD1-CB 3.46Å; Y209-A215 VanDerWaalsContact CD1-CB 3.46Å; Y209-A215 HydrophobicContact CD2-CB 3.6Å; Y209-A215 HydrophobicContact CE1-CB 3.66Å; Y209-A215 HydrophobicContact CE2-CB 3.81Å; Y209-A215 HydrophobicContact CG-CB 3.43Å; Y209-A215 VanDerWaalsContact CG-CB 3.43Å
210I91.3Very high90.4Very high167 Ų167106.9 Ų106.986%0.85653%0.534SS*.SBendtrans-95.6-31.3176.8-58.2167.3000111.5
211N93Very high90.8Very high85 Ų85103.5 Ų103.546%0.45551%0.506SS..SBendtrans-134.9162.4-177.570.447.7000112.5R213 N214 A215N211-R213 VanDerWaalsContact C-N 3.29Å; N211-R213 PolarHBondContact O-N 3.39Å; N211-R213 PolarHBondContact OD1-N 2.87Å; N211-R213 VanDerWaalsContact OD1-N 3.15Å; N211-N214 WeakPolarHBondContact O-CB 3.36Å; N211-N214 PolarHBondContact O-N 3.5Å; N211-N214 WeakPolarHBondContact OD1-CB 3.49Å; N211-N214 PolarHBondContact OD1-N 2.86Å; N211-A215 PolarHBondContact O-N 2.99Å
212E89.7Confident91.2Very high115 Ų115101.6 Ų101.654%0.53750%0.502SS..Hα-helixtrans-63.7-32-176.8-162.7-157.3160.200112.9A215 K216E212-A215 WeakPolarHBondContact O-CB 3.41Å; E212-A215 PolarHBondContact O-N 3Å; E212-K216 WeakPolarHBondContact O-CG 3.43Å; E212-K216 PolarHBondContact O-N 3.47Å; E212-K216 VanDerWaalsContact O-N 3.11Å; E212-K216 WeakPolarHBondContact OE1-CE 3.22Å; E212-K216 IonicContact OE1-NZ 3.23Å; E212-K216 PolarHBondContact OE1-NZ 3.3Å
213R93.8Very high91.6Very high216 Ų216105.8 Ų105.882%0.81551%0.511SS*.Hα-helixtrans-67.7-40.9177.1-68.8-174.5-180-177.10.6110.9N211 K216 F217N211-R213 VanDerWaalsContact C-N 3.29Å; N211-R213 PolarHBondContact O-N 3.39Å; N211-R213 PolarHBondContact OD1-N 2.87Å; N211-R213 VanDerWaalsContact OD1-N 3.15Å; R213-K216 PolarHBondContact O-N 3.04Å; R213-F217 PolarHBondContact O-N 3.07Å
214N93.4Very high92Very high52 Ų52106.3 Ų106.328%0.27851%0.508SS..Hα-helixtrans-65.3-44.3175.2-169.41.6000109.9N211 K216 F217 N218N211-N214 WeakPolarHBondContact O-CB 3.36Å; N211-N214 PolarHBondContact O-N 3.5Å; N211-N214 WeakPolarHBondContact OD1-CB 3.49Å; N211-N214 PolarHBondContact OD1-N 2.86Å; N214-K216 VanDerWaalsContact C-N 3.28Å; N214-K216 PolarHBondContact O-N 3.38Å; N214-F217 CarbonylContact O-C 3.58Å; N214-F217 WeakPolarHBondContact O-CA 3.44Å; N214-F217 WeakPolarHBondContact O-CB 3.28Å; N214-F217 PolarHBondContact O-N 3.39Å; N214-N218 PolarHBondContact O-N 2.94Å; N214-N218 PolarHBondContact OD1-ND2 3.45Å; N214-N218 PolarHBondContact OD1-OD1 3.35Å
215A91.6Very high92.3Very high6 Ų6106.8 Ų106.85%0.0550%0.5CS..Hα-helixtrans-54.5-42.2173.500000113Y209 N211 E212 K219Y209-A215 HydrophobicContact CD1-CB 3.46Å; Y209-A215 VanDerWaalsContact CD1-CB 3.46Å; Y209-A215 HydrophobicContact CD2-CB 3.6Å; Y209-A215 HydrophobicContact CE1-CB 3.66Å; Y209-A215 HydrophobicContact CE2-CB 3.81Å; Y209-A215 HydrophobicContact CG-CB 3.43Å; Y209-A215 VanDerWaalsContact CG-CB 3.43Å; N211-A215 PolarHBondContact O-N 2.99Å; E212-A215 WeakPolarHBondContact O-CB 3.41Å; E212-A215 PolarHBondContact O-N 3Å; A215-K219 VanDerWaalsContact O-CB 3.31Å; A215-K219 WeakPolarHBondContact O-CB 3.38Å; A215-K219 WeakPolarHBondContact O-CG 3.45Å; A215-K219 PolarHBondContact O-N 3.29Å
216K92.6Very high92.7Very high123 Ų123105 Ų10554%0.53549%0.487SS..Hα-helixtrans-69.4-35.3176.5-72.3173.7-174.1162.20112.1E212 R213 N214 K220E212-K216 WeakPolarHBondContact O-CG 3.43Å; E212-K216 PolarHBondContact O-N 3.47Å; E212-K216 VanDerWaalsContact O-N 3.11Å; E212-K216 WeakPolarHBondContact OE1-CE 3.22Å; E212-K216 IonicContact OE1-NZ 3.23Å; E212-K216 PolarHBondContact OE1-NZ 3.3Å; R213-K216 PolarHBondContact O-N 3.04Å; N214-K216 VanDerWaalsContact C-N 3.28Å; N214-K216 PolarHBondContact O-N 3.38Å; K216-K220 PolarHBondContact O-N 2.88Å
217F95.4Very high93.1Very high135 Ų135105.7 Ų105.759%0.59248%0.482SS*.Hα-helixtrans-68.3-49.1175.5-178-94.9000111.7R213 N214 K219 K220 A221R213-F217 PolarHBondContact O-N 3.07Å; N214-F217 CarbonylContact O-C 3.58Å; N214-F217 WeakPolarHBondContact O-CA 3.44Å; N214-F217 WeakPolarHBondContact O-CB 3.28Å; N214-F217 PolarHBondContact O-N 3.39Å; F217-K219 VanDerWaalsContact C-N 3.33Å; F217-K219 PolarHBondContact O-N 3.49Å; F217-K220 CarbonylContact O-C 3.6Å; F217-K220 WeakPolarHBondContact O-CA 3.43Å; F217-K220 VanDerWaalsContact O-CB 3.28Å; F217-K220 WeakPolarHBondContact O-CB 3.3Å; F217-K220 PolarHBondContact O-N 3.31Å; F217-A221 PolarHBondContact O-N 2.81Å
218N93.3Very high93.4Very high33 Ų33109.1 Ų109.118%0.17649%0.49CS..Hα-helixtrans-57.4-45173.9-69.3-6.5000111D208 N214 K220 A221 E222D208-N218 VanDerWaalsContact CG-ND2 3.27Å; D208-N218 PolarHBondContact O-ND2 3.1Å; D208-N218 PolarHBondContact OD1-ND2 3.33Å; N214-N218 PolarHBondContact O-N 2.94Å; N214-N218 PolarHBondContact OD1-ND2 3.45Å; N214-N218 PolarHBondContact OD1-OD1 3.35Å; N218-K220 PolarHBondContact O-N 3.4Å; N218-A221 WeakPolarHBondContact O-CB 3.23Å; N218-A221 PolarHBondContact O-N 3.24Å; N218-A221 VanDerWaalsContact O-N 3.13Å; N218-E222 WeakPolarHBondContact O-CB 3.45Å; N218-E222 PolarHBondContact O-N 3.41Å
219K92.9Very high93.7Very high115 Ų115106.4 Ų106.450%0.548%0.477SS..Hα-helixtrans-61.8-25.1172.4-75.7172.5-176.3173.90114.1A215 F217 R223A215-K219 VanDerWaalsContact O-CB 3.31Å; A215-K219 WeakPolarHBondContact O-CB 3.38Å; A215-K219 WeakPolarHBondContact O-CG 3.45Å; A215-K219 PolarHBondContact O-N 3.29Å; F217-K219 VanDerWaalsContact C-N 3.33Å; F217-K219 PolarHBondContact O-N 3.49Å; K219-R223 WeakPolarHBondContact O-CG 3.33Å; K219-R223 PolarHBondContact O-NE 2.95Å
220K95.4Very high93.8Very high125 Ų125105.7 Ų105.754%0.54348%0.483SS..Hα-helixtrans-78-47.9172.8-174.6-178.3177-1760109.2K216 F217 N218 E222 R223 F224K216-K220 PolarHBondContact O-N 2.88Å; F217-K220 CarbonylContact O-C 3.6Å; F217-K220 WeakPolarHBondContact O-CA 3.43Å; F217-K220 VanDerWaalsContact O-CB 3.28Å; F217-K220 WeakPolarHBondContact O-CB 3.3Å; F217-K220 PolarHBondContact O-N 3.31Å; N218-K220 PolarHBondContact O-N 3.4Å; K220-E222 VanDerWaalsContact C-N 3.32Å; K220-E222 PolarHBondContact O-N 3.14Å; K220-R223 PolarHBondContact O-N 3.46Å; K220-F224 HydrophobicContact CG-CD2 4.12Å; K220-F224 HydrophobicContact CG-CE2 3.88Å; K220-F224 VanDerWaalsContact O-CD2 3.24Å; K220-F224 WeakPolarHBondContact O-CD2 3.43Å; K220-F224 PolarHBondContact O-N 3.21Å
221A94.7Very high93.9Very high31 Ų31104.5 Ų104.526%0.25647%0.474SS..Hα-helixtrans-55.4-46.4176.400000111.4F217 N218 R223 F224 Y225F217-A221 PolarHBondContact O-N 2.81Å; N218-A221 WeakPolarHBondContact O-CB 3.23Å; N218-A221 PolarHBondContact O-N 3.24Å; N218-A221 VanDerWaalsContact O-N 3.13Å; A221-R223 VanDerWaalsContact C-N 3.3Å; A221-R223 PolarHBondContact O-N 2.88Å; A221-F224 PolarHBondContact O-N 2.91Å; A221-F224 VanDerWaalsContact O-N 3.11Å; A221-Y225 HydrophobicContact CB-CD2 4.25Å; A221-Y225 WeakPolarHBondContact O-CB 3.24Å; A221-Y225 PolarHBondContact O-N 2.89Å
222E93.9Very high93.8Very high95 Ų95105.4 Ų105.444%0.44448%0.477SS..Hα-helixtrans-60.5-36179.4-172.767.4171.300112.9N218 K220 F224 G226 K233N218-E222 WeakPolarHBondContact O-CB 3.45Å; N218-E222 PolarHBondContact O-N 3.41Å; K220-E222 VanDerWaalsContact C-N 3.32Å; K220-E222 PolarHBondContact O-N 3.14Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 3.27Å; E222-G226 VanDerWaalsContact O-CA 3.28Å; E222-G226 WeakPolarHBondContact O-CA 3.49Å; E222-G226 PolarHBondContact O-N 3.38Å; E222-K233 IonicContact OE1-NZ 2.67Å
223R94.5Very high93.9Very high179 Ų179104.5 Ų104.568%0.67547%0.472SS*.Hα-helixtrans-66.2-33.1177.4-72.1175.8-136.4-176.90.3113.4K219 K220 A221K219-R223 WeakPolarHBondContact O-CG 3.33Å; K219-R223 PolarHBondContact O-NE 2.95Å; K220-R223 PolarHBondContact O-N 3.46Å; A221-R223 VanDerWaalsContact C-N 3.3Å; A221-R223 PolarHBondContact O-N 2.88Å
224F95.8Very high93.8Very high131 Ų13198.2 Ų98.258%0.57545%0.452SS*.Hα-helixtrans-94.1-45.7-177.1-71.4-77.4000111.9K220 A221 E222 Y228K220-F224 HydrophobicContact CG-CD2 4.12Å; K220-F224 HydrophobicContact CG-CE2 3.88Å; K220-F224 VanDerWaalsContact O-CD2 3.24Å; K220-F224 WeakPolarHBondContact O-CD2 3.43Å; K220-F224 PolarHBondContact O-N 3.21Å; A221-F224 PolarHBondContact O-N 2.91Å; A221-F224 VanDerWaalsContact O-N 3.11Å; E222-F224 VanDerWaalsContact C-N 3.33Å; E222-F224 PolarHBondContact O-N 3.27Å; F224-Y228 WeakPolarHBondContact O-CD2 3.23Å; F224-Y228 WeakPolarHBondContact O-CE2 3.46Å
225Y96.3Very high93.7Very high151 Ų15197.5 Ų97.559%0.59245%0.448SS*.Hα-helixtrans-99.3-23.8-171.8-58.7-62.8000113.7A221 K227 Y228 T229A221-Y225 HydrophobicContact CB-CD2 4.25Å; A221-Y225 WeakPolarHBondContact O-CB 3.24Å; A221-Y225 PolarHBondContact O-N 2.89Å; Y225-K227 PolarHBondContact O-N 2.9Å; Y225-K227 VanDerWaalsContact O-N 3.08Å; Y225-Y228 CarbonylContact O-C 3.54Å; Y225-Y228 WeakPolarHBondContact O-CA 3.49Å; Y225-Y228 PolarHBondContact O-N 3.21Å; Y225-T229 PolarHBondContact O-N 3.17Å; Y225-T229 PolarHBondContact O-OG1 3.47Å; Y225-T229 VanDerWaalsContact O-OG1 3.07Å
226G94.4Very high93.6Very high13 Ų13102.6 Ų102.613%0.13447%0.474CS..THydrogen-bonded Turntrans-56.6-32.3-175.500000113.6E222 Y228 A230E222-G226 VanDerWaalsContact O-CA 3.28Å; E222-G226 WeakPolarHBondContact O-CA 3.49Å; E222-G226 PolarHBondContact O-N 3.38Å; G226-Y228 VanDerWaalsContact C-N 3.32Å; G226-Y228 PolarHBondContact O-N 3.48Å; G226-A230 PolarHBondContact O-N 3.29Å
227K95.9Very high93.4Very high176 Ų176103.5 Ų103.577%0.76548%0.48SS*.THydrogen-bonded Turntrans-63.4-36173.1-175.7178.5177.4-175.20112.8Y225Y225-K227 PolarHBondContact O-N 2.9Å; Y225-K227 VanDerWaalsContact O-N 3.08Å
228Y96.1Very high93.2Very high177 Ų177104.3 Ų104.369%0.69448%0.479SS*.THydrogen-bonded Turntrans-91.4-27.6-176.5-55.5-72.6000112.5F224 Y225 G226F224-Y228 WeakPolarHBondContact O-CD2 3.23Å; F224-Y228 WeakPolarHBondContact O-CE2 3.46Å; Y225-Y228 CarbonylContact O-C 3.54Å; Y225-Y228 WeakPolarHBondContact O-CA 3.49Å; Y225-Y228 PolarHBondContact O-N 3.21Å; G226-Y228 VanDerWaalsContact C-N 3.32Å; G226-Y228 PolarHBondContact O-N 3.48Å
229T93.9Very high92.9Very high52 Ų52105.4 Ų105.432%0.31950%0.498SS..SBendtrans-97.910.5-178.2600000113.4Y225 E231 I232 K233Y225-T229 PolarHBondContact O-N 3.17Å; Y225-T229 PolarHBondContact O-OG1 3.47Å; Y225-T229 VanDerWaalsContact O-OG1 3.07Å; T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 PolarHBondContact O-N 3.17Å; T229-I232 PolarHBondContact O-N 3.44Å; T229-K233 PolarHBondContact O-N 2.63Å
230A92.8Very high92.3Very high42 Ų42105.1 Ų105.135%0.34751%0.506SS..Hα-helixtrans-58.7-40.2-177.800000112.6G226 K233 Q234G226-A230 PolarHBondContact O-N 3.29Å; A230-K233 PolarHBondContact O-N 2.94Å; A230-Q234 WeakPolarHBondContact O-CG 3.29Å; A230-Q234 PolarHBondContact O-N 3.41Å
231E92Very high90.8Very high142 Ų142102 Ų10266%0.66450%0.503SS*.Hα-helixtrans-65.9-45.1177.8-174.1176.1-177.100112T229 K233 Q234 N235T229-E231 VanDerWaalsContact C-N 3.3Å; T229-E231 PolarHBondContact O-N 3.17Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.25Å; E231-Q234 PolarHBondContact O-N 3.31Å; E231-N235 VanDerWaalsContact O-CG 3.25Å; E231-N235 PolarHBondContact O-N 3.15Å; E231-N235 PolarHBondContact O-OD1 3.1Å
232I91.7Very high89Confident104 Ų104109.6 Ų109.653%0.53355%0.546SS..Hα-helixtrans-59.7-42.5176.5-59.8173.2000110.4T229 N235 L236T229-I232 PolarHBondContact O-N 3.44Å; I232-N235 PolarHBondContact O-N 3.01Å; I232-L236 HydrophobicContact CG2-CD1 4.3Å; I232-L236 WeakPolarHBondContact O-CG 3.5Å; I232-L236 PolarHBondContact O-N 3.06Å
233K91.3Very high88.8Confident97 Ų97110.4 Ų110.442%0.42255%0.551SS.*Hα-helixtrans-62.3-45.1177.6-172175.5-178175.90111.8E222 T229 A230 E231 N235 L236 E237E222-K233 IonicContact OE1-NZ 2.67Å; T229-K233 PolarHBondContact O-N 2.63Å; A230-K233 PolarHBondContact O-N 2.94Å; E231-K233 VanDerWaalsContact C-N 3.28Å; E231-K233 PolarHBondContact O-N 3.25Å; K233-N235 VanDerWaalsContact C-N 3.32Å; K233-N235 PolarHBondContact O-N 2.96Å; K233-L236 WeakPolarHBondContact O-CB 3.33Å; K233-L236 PolarHBondContact O-N 3.19Å; K233-E237 WeakPolarHBondContact CE-OE1 3.49Å; K233-E237 WeakPolarHBondContact O-CG 3.14Å; K233-E237 PolarHBondContact O-N 2.94Å
234Q91.9Very high88.5Confident84 Ų84106.7 Ų106.739%0.39355%0.545SS..Hα-helixtrans-63-38.5175.8-691782100112.4A230 E231 L236 E237 R238A230-Q234 WeakPolarHBondContact O-CG 3.29Å; A230-Q234 PolarHBondContact O-N 3.41Å; E231-Q234 PolarHBondContact O-N 3.31Å; Q234-L236 VanDerWaalsContact C-N 3.32Å; Q234-L236 PolarHBondContact O-N 2.93Å; Q234-E237 PolarHBondContact O-N 2.99Å; Q234-R238 WeakPolarHBondContact O-CB 2.87Å; Q234-R238 VanDerWaalsContact O-CG 3.27Å; Q234-R238 WeakPolarHBondContact O-CG 3.38Å; Q234-R238 PolarHBondContact O-N 3.42Å; Q234-R238 VanDerWaalsContact OE1-NH1 3.15Å
235N91.8Very high88.1Confident37 Ų37105.4 Ų105.420%0.19854%0.543CS..Hα-helixtrans-65.3-38.6177.5-66.3-7.7000111E231 I232 K233 R238 G239 T240E231-N235 VanDerWaalsContact O-CG 3.25Å; E231-N235 PolarHBondContact O-N 3.15Å; E231-N235 PolarHBondContact O-OD1 3.1Å; I232-N235 PolarHBondContact O-N 3.01Å; K233-N235 VanDerWaalsContact C-N 3.32Å; K233-N235 PolarHBondContact O-N 2.96Å; N235-R238 PolarHBondContact O-N 2.98Å; N235-G239 PolarHBondContact O-N 3.32Å; N235-T240 VanDerWaalsContact O-CA 3.31Å; N235-T240 WeakPolarHBondContact O-CA 3.42Å; N235-T240 PolarHBondContact O-N 3.48Å
236L90Very high87.6Confident113 Ų113102.7 Ų102.759%0.59254%0.54SS*.Hα-helixtrans-62.3-45.4172.9-71.3166.8000111.9I232 K233 Q234 R238 G239 T240I232-L236 HydrophobicContact CG2-CD1 4.3Å; I232-L236 WeakPolarHBondContact O-CG 3.5Å; I232-L236 PolarHBondContact O-N 3.06Å; K233-L236 WeakPolarHBondContact O-CB 3.33Å; K233-L236 PolarHBondContact O-N 3.19Å; Q234-L236 VanDerWaalsContact C-N 3.32Å; Q234-L236 PolarHBondContact O-N 2.93Å; L236-R238 PolarHBondContact O-N 3.47Å; L236-G239 PolarHBondContact O-N 3.02Å; L236-G239 VanDerWaalsContact O-N 3.1Å; L236-T240 HydrophobicContact CD2-CG2 4.09Å
237E88.1Confident87.2Confident141 Ų141108.3 Ų108.366%0.65957%0.566SS**Hα-helixtrans-64.9-28.1177.1-69168.8-169.300112.4K233 Q234 G239K233-E237 WeakPolarHBondContact CE-OE1 3.49Å; K233-E237 WeakPolarHBondContact O-CG 3.14Å; K233-E237 PolarHBondContact O-N 2.94Å; Q234-E237 PolarHBondContact O-N 2.99Å; E237-G239 VanDerWaalsContact C-N 3.3Å
238R91.5Very high86.6Confident153 Ų153103.8 Ų103.858%0.57755%0.552SS**THydrogen-bonded Turntrans-85.35.9174.6-69.1177.4-171.3122.58.7114.1Q234 N235 L236Q234-R238 WeakPolarHBondContact O-CB 2.87Å; Q234-R238 VanDerWaalsContact O-CG 3.27Å; Q234-R238 WeakPolarHBondContact O-CG 3.38Å; Q234-R238 PolarHBondContact O-N 3.42Å; Q234-R238 VanDerWaalsContact OE1-NH1 3.15Å; N235-R238 PolarHBondContact O-N 2.98Å; L236-R238 PolarHBondContact O-N 3.47Å
239G86.8Confident85.9Confident55 Ų5598.6 Ų98.657%0.56754%0.542SS*.THydrogen-bonded Turntrans80.334.4178.700000114N235 L236 E237 A241N235-G239 PolarHBondContact O-N 3.32Å; L236-G239 PolarHBondContact O-N 3.02Å; L236-G239 VanDerWaalsContact O-N 3.1Å; E237-G239 VanDerWaalsContact C-N 3.3Å; G239-A241 PolarHBondContact O-N 2.83Å; G239-A241 VanDerWaalsContact O-N 3.16Å
240T78.8Confident85.3Confident109 Ų109102.2 Ų102.267%0.66956%0.559SS**SBendtrans63.711.9178.161.50000115.8N235 L236N235-T240 VanDerWaalsContact O-CA 3.31Å; N235-T240 WeakPolarHBondContact O-CA 3.42Å; N235-T240 PolarHBondContact O-N 3.48Å; L236-T240 HydrophobicContact CD2-CG2 4.09Å
241A64.2Low84.7Confident60 Ų60107.2 Ų107.250%0.49658%0.577SS.*  trans-72.7127.6168.100000109.8G239G239-A241 PolarHBondContact O-N 2.83Å; G239-A241 VanDerWaalsContact O-N 3.16Å
242V58.4Low84Confident191 Ų191104 Ų104100%1.15857%0.569SS**  trans-77.10170.7-178.60000109.5

Retrieved 242 of 242 residues in 522.2 ms (Link to these results)