A0A096M983_POEFO Loading...

G protein subunit alpha 12

AlphaFold DB , UniProt , Accession A0A096M983, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 387 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
1M36.3Very low33.4Very low241 Ų241143.5 Ų143.5100%1.18779%0.791SS**  096.90-66.8-173.4-115.800106.5
2S32.8Very low33.2Very low130 Ų130145.8 Ų145.891%0.90980%0.8SS**  63.4122.197.6172.90000111.2
3G32Very low33.4Very low63 Ų63147.3 Ų147.365%0.64981%0.805SS**  cis-176.71433.900000105
4V34.6Very low34.8Very low137 Ų137144.6 Ų144.683%0.8380%0.798SS**  53.5100.462.8-179.60000109.2
5V32.7Very low34.8Very low108 Ų108141.9 Ų141.966%0.65580%0.802SS**  114.6136.167.8144.70000108.9
6R34.2Very low35Very low223 Ų223144.4 Ų144.484%0.84281%0.805SS**  trans52.5141.6156.6-63.5166.1-176.3170.5-1.6116.8
7T34.2Very low35.3Very low117 Ų117141.1 Ų141.172%0.71880%0.801SS**  171.7167.666-40.50000107.6
8L33.1Very low35.3Very low154 Ų154140.9 Ų140.981%0.80680%0.803SS**  trans100.7130.8156.6-58.2176.3000116
9S32.1Very low35.6Very low84 Ų84145.9 Ų145.959%0.58781%0.808SS**  cis-172144.7-7.6-138.90000109.9
10R33.5Very low35.7Very low221 Ų221148.1 Ų148.183%0.83481%0.812SS**  trans65.1123.9130.3-83.5-178.1174.9-175.2-2.6122
11C32Very low36.2Very low101 Ų101146.7 Ų146.768%0.68281%0.81SS**  81.4107.3126.6-65.30000117.5
12L31.2Very low36.6Very low171 Ų171138.9 Ų138.990%0.89579%0.791SS**  -172.1105.3108.7-93.1151000110.1
13L36Very low37.4Very low165 Ų165137.4 Ų137.486%0.86479%0.787SS**  trans-125.9160.9145.5-79.7173.8000105
14P53.1Low38.4Very low110 Ų110138.6 Ų138.671%0.71479%0.785SS**  cis-134.5173-4.130.8-9.6000113.1
15A34.1Very low39.2Very low104 Ų104140.4 Ų140.486%0.8678%0.782SS**  trans-139.5117.2145.900000108.4
16E37.6Very low40Very low181 Ų181142.7 Ų142.785%0.84679%0.785SS**  trans-67.4162.4177.1-68.4174.8133.800112.5
17A41.3Very low40.9Very low89 Ų89133.2 Ų133.274%0.73676%0.757SS**  trans63106.2155.900000115.9
18T35.7Very low42.1Very low138 Ų138130 Ų13085%0.84774%0.74SS**  -153.1118.484.624.80000110.4E20T18-E20 PolarHBondContact O-N 3.41Å
19R40.3Very low43.5Very low236 Ų236132.3 Ų132.389%0.89174%0.737SS**  trans-70.6114155.1-81.8179.3173.8173.5-0106.7P21R19-P21 WeakPolarHBondContact O-CD 3.36Å
20E37Very low45.1Very low189 Ų189134.6 Ų134.688%0.88374%0.739SS**  trans-82114.6139.7-78.2-157.3161.800107.8T18T18-E20 PolarHBondContact O-N 3.41Å
21P46.1Very low46.7Very low119 Ų119132.2 Ų132.277%0.77373%0.73SS**  trans-93.5117.817731-21.2000109.3R19R19-P21 WeakPolarHBondContact O-CD 3.36Å
22G45.4Very low48.7Very low76 Ų76131.9 Ų131.978%0.78472%0.721SS**SBendtrans159.9-15158.500000120.8
23A48.7Very low50.8Low100 Ų100126.2 Ų126.283%0.82670%0.699SS**SBendtrans-137.880.2-171.800000113.3
24S53Low53Low88 Ų88122.3 Ų122.362%0.61568%0.682SS**SBendtrans-178-24.1153.847.30000115.5S28S24-S28 PolarHBondContact O-N 3.46Å; S24-S28 VanDerWaalsContact O-N 3.11Å; S24-S28 PolarHBondContact O-OG 3.28Å
25K51.3Low54.2Low175 Ų175123.3 Ų123.376%0.76168%0.677SS**Hα-helixtrans-74.4-28.7179.2-80.1-173.8175.9-179.70114.3S28 R29K25-S28 PolarHBondContact O-OG 2.84Å; K25-S28 VanDerWaalsContact O-OG 3.11Å; K25-R29 PolarHBondContact O-N 3.06Å
26Q49.9Very low56.6Low156 Ų156123.1 Ų123.173%0.72966%0.658SS**Hα-helixtrans-76.5-44.4178-136.6150.3-9.900110.4S28 R29 E30Q26-S28 VanDerWaalsContact C-N 3.33Å; Q26-S28 PolarHBondContact O-N 3.36Å; Q26-R29 PolarHBondContact O-N 3.03Å; Q26-E30 PolarHBondContact O-N 3.35Å
27G54.4Low58.8Low24 Ų24124 Ų12425%0.24765%0.654CS.*Hα-helixtrans-70.3-19.6175.100000115R31G27-R31 WeakPolarHBondContact O-CB 3.34Å; G27-R31 VanDerWaalsContact O-CG 3.24Å; G27-R31 WeakPolarHBondContact O-CG 3.2Å; G27-R31 PolarHBondContact O-N 3.43Å; G27-R31 PolarHBondContact O-NE 3.33Å
28S58.6Low60.9Low50 Ų50124.3 Ų124.335%0.3564%0.64SS.*Hα-helixtrans-77.9-45.1169.870.70000111.3S24 K25 Q26 E30 R31 D32S24-S28 PolarHBondContact O-N 3.46Å; S24-S28 VanDerWaalsContact O-N 3.11Å; S24-S28 PolarHBondContact O-OG 3.28Å; K25-S28 PolarHBondContact O-OG 2.84Å; K25-S28 VanDerWaalsContact O-OG 3.11Å; Q26-S28 VanDerWaalsContact C-N 3.33Å; Q26-S28 PolarHBondContact O-N 3.36Å; S28-E30 PolarHBondContact O-N 3.28Å; S28-R31 PolarHBondContact O-N 3.45Å; S28-D32 PolarHBondContact O-N 2.86Å
29R62Low63.2Low201 Ų201120.4 Ų120.476%0.75862%0.622SS**Hα-helixtrans-62.5-38.6175-86.6-178.4169.9177.1-3.2113.4K25 Q26 A33K25-R29 PolarHBondContact O-N 3.06Å; Q26-R29 PolarHBondContact O-N 3.03Å; R29-A33 VanDerWaalsContact O-CB 3.29Å; R29-A33 WeakPolarHBondContact O-CB 3.29Å; R29-A33 PolarHBondContact O-N 3.39Å
30E66.5Low65.5Low133 Ų133116.2 Ų116.262%0.62161%0.606SS**Hα-helixtrans-67.3-40.3173.6-87.1179.5147.300112Q26 S28 A33 V34Q26-E30 PolarHBondContact O-N 3.35Å; S28-E30 PolarHBondContact O-N 3.28Å; E30-A33 PolarHBondContact O-N 3Å; E30-V34 WeakPolarHBondContact O-CB 3.32Å; E30-V34 WeakPolarHBondContact O-CG2 3.37Å; E30-V34 PolarHBondContact O-N 3.49Å
31R67Low67.9Low171 Ų171115.3 Ų115.365%0.64559%0.594SS**Hα-helixtrans-62.7-42.5174.6-83.6-177.1-87.4-167.6-5.7112G27 S28 V34 Q35G27-R31 WeakPolarHBondContact O-CB 3.34Å; G27-R31 VanDerWaalsContact O-CG 3.24Å; G27-R31 WeakPolarHBondContact O-CG 3.2Å; G27-R31 PolarHBondContact O-N 3.43Å; G27-R31 PolarHBondContact O-NE 3.33Å; S28-R31 PolarHBondContact O-N 3.45Å; R31-V34 PolarHBondContact O-N 3.1Å; R31-Q35 WeakPolarHBondContact O-CB 3.46Å; R31-Q35 WeakPolarHBondContact O-CG 3.24Å; R31-Q35 PolarHBondContact O-N 3.06Å
32D72.9Confident69.9Low94 Ų94116.9 Ų116.950%0.50359%0.585SS.*Hα-helixtrans-65.4-41.4176.5-63.3-24000111.3S28 Q35 E36S28-D32 PolarHBondContact O-N 2.86Å; D32-Q35 PolarHBondContact O-N 3.43Å; D32-E36 WeakPolarHBondContact O-CB 3.38Å; D32-E36 PolarHBondContact O-N 2.82Å
33A76.1Confident72.1Confident52 Ų52116.1 Ų116.143%0.4357%0.568SS.*Hα-helixtrans-67.5-35.6177.100000113.1R29 E30 R37R29-A33 VanDerWaalsContact O-CB 3.29Å; R29-A33 WeakPolarHBondContact O-CB 3.29Å; R29-A33 PolarHBondContact O-N 3.39Å; E30-A33 PolarHBondContact O-N 3Å; A33-R37 PolarHBondContact O-N 2.98Å
34V81.1Confident74.2Confident82 Ų82120.3 Ų120.350%0.49756%0.562SS.*Hα-helixtrans-69-44.7173.5171.60000110.4E30 R31 E36 R37 E38E30-V34 WeakPolarHBondContact O-CB 3.32Å; E30-V34 WeakPolarHBondContact O-CG2 3.37Å; E30-V34 PolarHBondContact O-N 3.49Å; R31-V34 PolarHBondContact O-N 3.1Å; V34-E36 VanDerWaalsContact C-N 3.33Å; V34-E36 PolarHBondContact O-N 2.95Å; V34-R37 PolarHBondContact O-N 2.99Å; V34-E38 PolarHBondContact O-N 2.73Å
35Q80.1Confident75.9Confident131 Ų131120.9 Ų120.961%0.61256%0.555SS**Hα-helixtrans-61.1-39.9174.4-79.9-172.7-7.400112.3R31 D32 E38 A39R31-Q35 WeakPolarHBondContact O-CB 3.46Å; R31-Q35 WeakPolarHBondContact O-CG 3.24Å; R31-Q35 PolarHBondContact O-N 3.06Å; D32-Q35 PolarHBondContact O-N 3.43Å; Q35-E38 PolarHBondContact O-N 2.91Å; Q35-A39 VanDerWaalsContact O-CB 3.28Å; Q35-A39 WeakPolarHBondContact O-CB 3.27Å; Q35-A39 PolarHBondContact O-N 3.46Å
36E83.4Confident77.7Confident101 Ų101116.9 Ų116.947%0.47254%0.541SS..Hα-helixtrans-68.3-38.2177.5-164.9-179.7167.800111.8D32 V34 A39 R40D32-E36 WeakPolarHBondContact O-CB 3.38Å; D32-E36 PolarHBondContact O-N 2.82Å; V34-E36 VanDerWaalsContact C-N 3.33Å; V34-E36 PolarHBondContact O-N 2.95Å; E36-A39 PolarHBondContact O-N 2.8Å; E36-R40 WeakPolarHBondContact O-CB 3.18Å; E36-R40 VanDerWaalsContact O-CG 3.27Å; E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.01Å; E36-R40 IonicContact OE1-CZ 3.09Å; E36-R40 IonicContact OE1-NE 2.7Å; E36-R40 PolarHBondContact OE1-NE 3.36Å; E36-R40 IonicContact OE1-NH2 3.41Å; E36-R40 PolarHBondContact OE1-NH2 2.97Å
37R84.7Confident79.5Confident200 Ų200113.9 Ų113.976%0.75553%0.53SS*.Hα-helixtrans-63.3-43.5171.8-84-177.7174.9-1780.1112A33 V34 R40 R41A33-R37 PolarHBondContact O-N 2.98Å; V34-R37 PolarHBondContact O-N 2.99Å; R37-R40 PolarHBondContact O-N 3.14Å; R37-R41 WeakPolarHBondContact O-CB 3.21Å; R37-R41 PolarHBondContact O-N 3.31Å
38E85.1Confident81.1Confident94 Ų94115 Ų11544%0.43954%0.537SS..Hα-helixtrans-63.9-43.5175.1-77-168.1-170.200112.1V34 Q35 R40 R41 R42V34-E38 PolarHBondContact O-N 2.73Å; Q35-E38 PolarHBondContact O-N 2.91Å; E38-R40 PolarHBondContact O-N 2.46Å; E38-R41 PolarHBondContact O-N 3.48Å; E38-R42 WeakPolarHBondContact O-CG 3.32Å; E38-R42 PolarHBondContact O-N 2.78Å; E38-R42 IonicContact OE2-NH2 2.69Å; E38-R42 PolarHBondContact OE2-NH2 3Å
39A83.6Confident82.4Confident56 Ų56117.7 Ų117.746%0.46355%0.545SS..Hα-helixtrans-61.7-43.7177.100000111.3Q35 E36 R41 R42 S43Q35-A39 VanDerWaalsContact O-CB 3.28Å; Q35-A39 WeakPolarHBondContact O-CB 3.27Å; Q35-A39 PolarHBondContact O-N 3.46Å; E36-A39 PolarHBondContact O-N 2.8Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.46Å; A39-R42 PolarHBondContact O-N 3.29Å; A39-S43 WeakPolarHBondContact O-CB 3.03Å; A39-S43 PolarHBondContact O-N 2.97Å
40R87.8Confident83.4Confident148 Ų148111.1 Ų111.156%0.55853%0.525SS*.Hα-helixtrans-63.4-38.1174.5-73.6176.1-173.2-1594112.1E36 R37 E38 R44E36-R40 WeakPolarHBondContact O-CB 3.18Å; E36-R40 VanDerWaalsContact O-CG 3.27Å; E36-R40 WeakPolarHBondContact O-CG 3.43Å; E36-R40 PolarHBondContact O-N 3.01Å; E36-R40 IonicContact OE1-CZ 3.09Å; E36-R40 IonicContact OE1-NE 2.7Å; E36-R40 PolarHBondContact OE1-NE 3.36Å; E36-R40 IonicContact OE1-NH2 3.41Å; E36-R40 PolarHBondContact OE1-NH2 2.97Å; R37-R40 PolarHBondContact O-N 3.14Å; E38-R40 PolarHBondContact O-N 2.46Å; R40-R44 WeakPolarHBondContact O-CG 3.47Å; R40-R44 PolarHBondContact O-N 3.35Å
41R88.8Confident84.1Confident170 Ų170106.5 Ų106.564%0.64251%0.509SS*.Hα-helixtrans-64.9-48.2175-178.4-177.7152.3-176.7-8111.2R37 E38 A39 S43 R44 E45R37-R41 WeakPolarHBondContact O-CB 3.21Å; R37-R41 PolarHBondContact O-N 3.31Å; E38-R41 PolarHBondContact O-N 3.48Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.46Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.38Å; R41-R44 PolarHBondContact O-N 3.44Å; R41-E45 IonicContact CZ-OE1 3.61Å; R41-E45 IonicContact NE-OE1 2.73Å; R41-E45 PolarHBondContact NE-OE1 3.2Å; R41-E45 IonicContact NH2-OE1 3.74Å; R41-E45 PolarHBondContact NH2-OE1 3.47Å; R41-E45 WeakPolarHBondContact O-CG 3.48Å; R41-E45 PolarHBondContact O-N 2.97Å
42R88.4Confident84.6Confident153 Ų153106.9 Ų106.958%0.57751%0.511SS*.Hα-helixtrans-60.1-41.7175.3-68.6-178.5-154.4178.29111.8E38 A39 R44 E45 I46E38-R42 WeakPolarHBondContact O-CG 3.32Å; E38-R42 PolarHBondContact O-N 2.78Å; E38-R42 IonicContact OE2-NH2 2.69Å; E38-R42 PolarHBondContact OE2-NH2 3Å; A39-R42 PolarHBondContact O-N 3.29Å; R42-R44 PolarHBondContact O-N 2.86Å; R42-E45 PolarHBondContact O-N 3.34Å; R42-I46 VanDerWaalsContact O-CG1 3.26Å; R42-I46 WeakPolarHBondContact O-CG1 3.33Å; R42-I46 PolarHBondContact O-N 2.93Å
43S90.8Very high84.6Confident60 Ų60106.9 Ų106.942%0.4251%0.508SS..Hα-helixtrans-60.4-45176-165.60000111.7A39 R41 E45 I46 D47A39-S43 WeakPolarHBondContact O-CB 3.03Å; A39-S43 PolarHBondContact O-N 2.97Å; R41-S43 VanDerWaalsContact C-N 3.33Å; R41-S43 PolarHBondContact O-N 3.38Å; S43-E45 VanDerWaalsContact C-N 3.34Å; S43-E45 PolarHBondContact O-N 3.03Å; S43-I46 PolarHBondContact O-N 3.13Å; S43-D47 WeakPolarHBondContact O-CB 3.4Å; S43-D47 PolarHBondContact O-N 2.99Å
44R91.6Very high84.4Confident188 Ų188112.3 Ų112.371%0.70952%0.517SS*.Hα-helixtrans-63.9-38.6176.8-73.1174.5-176.7-174.60.5112.5R40 R41 R42 D47 A48R40-R44 WeakPolarHBondContact O-CG 3.47Å; R40-R44 PolarHBondContact O-N 3.35Å; R41-R44 PolarHBondContact O-N 3.44Å; R42-R44 PolarHBondContact O-N 2.86Å; R44-D47 PolarHBondContact O-N 2.85Å; R44-A48 VanDerWaalsContact O-CB 3.31Å; R44-A48 WeakPolarHBondContact O-CB 3.44Å; R44-A48 PolarHBondContact O-N 3.49Å
45E90.4Very high83.9Confident100 Ų100115.4 Ų115.447%0.46752%0.52SS..Hα-helixtrans-64.7-43.5175.5-72.6171.2-170.100111R41 R42 S43 A48 M49R41-E45 IonicContact CZ-OE1 3.61Å; R41-E45 IonicContact NE-OE1 2.73Å; R41-E45 PolarHBondContact NE-OE1 3.2Å; R41-E45 IonicContact NH2-OE1 3.74Å; R41-E45 PolarHBondContact NH2-OE1 3.47Å; R41-E45 WeakPolarHBondContact O-CG 3.48Å; R41-E45 PolarHBondContact O-N 2.97Å; R42-E45 PolarHBondContact O-N 3.34Å; S43-E45 VanDerWaalsContact C-N 3.34Å; S43-E45 PolarHBondContact O-N 3.03Å; E45-A48 PolarHBondContact O-N 3.33Å; E45-M49 WeakPolarHBondContact O-CB 3.22Å; E45-M49 PolarHBondContact O-N 3.36Å
46I87.3Confident83.2Confident91 Ų91111.7 Ų111.747%0.46751%0.512SS..Hα-helixtrans-61.8-47.8174.5-68.2164.1000110.7R42 S43 A48 M49 L50R42-I46 VanDerWaalsContact O-CG1 3.26Å; R42-I46 WeakPolarHBondContact O-CG1 3.33Å; R42-I46 PolarHBondContact O-N 2.93Å; S43-I46 PolarHBondContact O-N 3.13Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 3.07Å; I46-M49 WeakPolarHBondContact O-CB 3.19Å; I46-M49 PolarHBondContact O-N 3.37Å; I46-M49 VanDerWaalsContact O-N 3.14Å; I46-L50 HydrophobicContact CG2-CD1 3.79Å; I46-L50 HydrophobicContact CG2-CG 4.2Å; I46-L50 WeakPolarHBondContact O-CB 3.31Å; I46-L50 VanDerWaalsContact O-CG 3.31Å; I46-L50 WeakPolarHBondContact O-CG 3.49Å; I46-L50 PolarHBondContact O-N 3.45Å
47D89.5Confident82.1Confident92 Ų92110 Ų11049%0.49251%0.508SS..Hα-helixtrans-62.4-39.3179.2-73.2-32.4000111.9S43 R44 A51S43-D47 WeakPolarHBondContact O-CB 3.4Å; S43-D47 PolarHBondContact O-N 2.99Å; R44-D47 PolarHBondContact O-N 2.85Å; D47-A51 VanDerWaalsContact O-CB 3.22Å; D47-A51 WeakPolarHBondContact O-CB 3.33Å; D47-A51 PolarHBondContact O-N 3.2Å
48A87.9Confident81Confident48 Ų48110.4 Ų110.440%0.39751%0.509SS..Hα-helixtrans-65.1-40.3174.400000111.9R44 E45 I46 A51 R52R44-A48 VanDerWaalsContact O-CB 3.31Å; R44-A48 WeakPolarHBondContact O-CB 3.44Å; R44-A48 PolarHBondContact O-N 3.49Å; E45-A48 PolarHBondContact O-N 3.33Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 3.07Å; A48-A51 PolarHBondContact O-N 2.84Å; A48-R52 WeakPolarHBondContact O-CG 3.44Å; A48-R52 PolarHBondContact O-N 3.35Å
49M84.4Confident79.9Confident107 Ų107115.5 Ų115.553%0.52753%0.525SS..Hα-helixtrans-64.7-49.5175.6-164.4173.684.800111.1E45 I46 A51 R52 E53E45-M49 WeakPolarHBondContact O-CB 3.22Å; E45-M49 PolarHBondContact O-N 3.36Å; I46-M49 WeakPolarHBondContact O-CB 3.19Å; I46-M49 PolarHBondContact O-N 3.37Å; I46-M49 VanDerWaalsContact O-N 3.14Å; M49-A51 VanDerWaalsContact C-N 3.29Å; M49-A51 PolarHBondContact O-N 3.37Å; M49-R52 WeakPolarHBondContact O-CB 2.98Å; M49-R52 PolarHBondContact O-N 3.21Å; M49-R52 VanDerWaalsContact O-N 3.09Å; M49-E53 WeakPolarHBondContact O-CG 3.35Å; M49-E53 PolarHBondContact O-N 3.05Å
50L83.3Confident78.7Confident62 Ų62114.2 Ų114.233%0.32551%0.51SS..Hα-helixtrans-59.8-37.8175.6-70.3173.6000111.9I46 R54I46-L50 HydrophobicContact CG2-CD1 3.79Å; I46-L50 HydrophobicContact CG2-CG 4.2Å; I46-L50 WeakPolarHBondContact O-CB 3.31Å; I46-L50 VanDerWaalsContact O-CG 3.31Å; I46-L50 WeakPolarHBondContact O-CG 3.49Å; I46-L50 PolarHBondContact O-N 3.45Å; L50-R54 VanDerWaalsContact O-CB 3.26Å; L50-R54 WeakPolarHBondContact O-CB 3.49Å; L50-R54 WeakPolarHBondContact O-CG 3.49Å; L50-R54 PolarHBondContact O-N 2.88Å
51A81.1Confident77.5Confident36 Ų36109.1 Ų109.130%0.29850%0.495SS..Hα-helixtrans-68.3-36.1176.300000112.5D47 A48 M49 R55D47-A51 VanDerWaalsContact O-CB 3.22Å; D47-A51 WeakPolarHBondContact O-CB 3.33Å; D47-A51 PolarHBondContact O-N 3.2Å; A48-A51 PolarHBondContact O-N 2.84Å; M49-A51 VanDerWaalsContact C-N 3.29Å; M49-A51 PolarHBondContact O-N 3.37Å; A51-R55 PolarHBondContact O-N 3.46Å; A51-R55 VanDerWaalsContact O-N 3.14Å; A51-R55 PolarHBondContact O-NE 3.03Å
52R78.8Confident76.1Confident179 Ų179104.2 Ų104.268%0.67548%0.479SS*.Hα-helixtrans-67.8-47.1173.2-73.8174.7-176.6-1741.3110.9A48 M49 R54 R55 A56A48-R52 WeakPolarHBondContact O-CG 3.44Å; A48-R52 PolarHBondContact O-N 3.35Å; M49-R52 WeakPolarHBondContact O-CB 2.98Å; M49-R52 PolarHBondContact O-N 3.21Å; M49-R52 VanDerWaalsContact O-N 3.09Å; R52-R54 PolarHBondContact O-N 2.94Å; R52-R55 PolarHBondContact O-N 3.26Å; R52-A56 PolarHBondContact O-N 3.39Å
53E71.9Confident74.9Confident95 Ų9597.3 Ų97.344%0.44445%0.453SS..Hα-helixtrans-60.1-46175.6-74.1178.9-17900111.7M49 R55 A56 V57M49-E53 WeakPolarHBondContact O-CG 3.35Å; M49-E53 PolarHBondContact O-N 3.05Å; E53-R55 VanDerWaalsContact C-N 3.28Å; E53-R55 PolarHBondContact O-N 3.25Å; E53-A56 WeakPolarHBondContact O-CB 3.34Å; E53-A56 PolarHBondContact O-N 3.32Å; E53-A56 VanDerWaalsContact O-N 3.12Å; E53-V57 WeakPolarHBondContact O-CB 3.39Å; E53-V57 VanDerWaalsContact O-CG2 3.3Å; E53-V57 WeakPolarHBondContact O-CG2 3.25Å; E53-V57 PolarHBondContact O-N 2.85Å
54R72.6Confident73.6Confident165 Ų16595.1 Ų95.162%0.62344%0.436SS*.Hα-helixtrans-58.3-39.8175.7-77.2172.1-174.8-170.44.2111.9L50 R52 R58L50-R54 VanDerWaalsContact O-CB 3.26Å; L50-R54 WeakPolarHBondContact O-CB 3.49Å; L50-R54 WeakPolarHBondContact O-CG 3.49Å; L50-R54 PolarHBondContact O-N 2.88Å; R52-R54 PolarHBondContact O-N 2.94Å; R54-R58 VanDerWaalsContact O-CB 3.31Å; R54-R58 WeakPolarHBondContact O-CB 3.39Å; R54-R58 WeakPolarHBondContact O-CG 3.49Å; R54-R58 PolarHBondContact O-N 3.19Å
55R70.1Confident72.2Confident147 Ų14786.1 Ų86.156%0.55540%0.402SS*.Hα-helixtrans-67.5-41.6175.3-85.6-177.8-90.9156.3-14.1112.1A51 R52 E53 R58 R59A51-R55 PolarHBondContact O-N 3.46Å; A51-R55 VanDerWaalsContact O-N 3.14Å; A51-R55 PolarHBondContact O-NE 3.03Å; R52-R55 PolarHBondContact O-N 3.26Å; E53-R55 VanDerWaalsContact C-N 3.28Å; E53-R55 PolarHBondContact O-N 3.25Å; R55-R58 PolarHBondContact O-N 3.43Å; R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.31Å
56A65.1Low71Confident53 Ų5381.6 Ų81.644%0.43838%0.381SS..Hα-helixtrans-61.7-50.217500000110.9R52 E53 R58 R59 L60R52-A56 PolarHBondContact O-N 3.39Å; E53-A56 WeakPolarHBondContact O-CB 3.34Å; E53-A56 PolarHBondContact O-N 3.32Å; E53-A56 VanDerWaalsContact O-N 3.12Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.45Å; A56-R59 PolarHBondContact O-N 3.41Å; A56-L60 PolarHBondContact O-N 3.4Å
57V60.9Low69.7Low65 Ų6577.8 Ų77.839%0.39437%0.365SS..Hα-helixtrans-62.8-36.8179.3174.10000112.2E53 R59 L60E53-V57 WeakPolarHBondContact O-CB 3.39Å; E53-V57 VanDerWaalsContact O-CG2 3.3Å; E53-V57 WeakPolarHBondContact O-CG2 3.25Å; E53-V57 PolarHBondContact O-N 2.85Å; V57-R59 PolarHBondContact O-N 2.86Å; V57-L60 HydrophobicContact CG2-CD1 4.46Å; V57-L60 WeakPolarHBondContact O-CB 3.44Å; V57-L60 PolarHBondContact O-N 3.33Å; V57-L60 VanDerWaalsContact O-N 3.14Å
58R62Low68Low209 Ų20974 Ų7479%0.78935%0.347SS*.Hα-helixtrans-62.9-28.4175.2-81.5175.9-172.3-167.73.1113.1R54 R55 A56R54-R58 VanDerWaalsContact O-CB 3.31Å; R54-R58 WeakPolarHBondContact O-CB 3.39Å; R54-R58 WeakPolarHBondContact O-CG 3.49Å; R54-R58 PolarHBondContact O-N 3.19Å; R55-R58 PolarHBondContact O-N 3.43Å; A56-R58 VanDerWaalsContact C-N 3.33Å; A56-R58 PolarHBondContact O-N 3.45Å
59R60.5Low66.3Low201 Ų20174.1 Ų74.176%0.75835%0.352SS*.THydrogen-bonded Turntrans-87.7-5.7177.2-65.7177.4-177.2-177.8-0.7113.1R55 A56 V57 V61R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.31Å; A56-R59 PolarHBondContact O-N 3.41Å; V57-R59 PolarHBondContact O-N 2.86Å; R59-V61 PolarHBondContact O-N 3.05Å
60L60.1Low65.1Low30 Ų3071.7 Ų71.716%0.15734%0.34CS..PPolyproline II helixtrans-79.7120.6177.5-66.6175.9000110.4A56 V57 K62 V227A56-L60 PolarHBondContact O-N 3.4Å; V57-L60 HydrophobicContact CG2-CD1 4.46Å; V57-L60 WeakPolarHBondContact O-CB 3.44Å; V57-L60 PolarHBondContact O-N 3.33Å; V57-L60 VanDerWaalsContact O-N 3.14Å; L60-K62 PolarHBondContact O-N 3.36Å; L60-V227 HydrophobicContact CD1-CG2 4.26Å
61V61Low63.9Low40 Ų4068.8 Ų68.824%0.24232%0.324CS..PPolyproline II helixtrans-77120.51681800000108.2R59 I63 P226 V227 I376R59-V61 PolarHBondContact O-N 3.05Å; V61-I63 HydrophobicContact CG1-CG1 4.3Å; V61-P226 WeakPolarHBondContact O-CA 3.47Å; V61-P226 WeakPolarHBondContact O-CB 3.37Å; V61-V227 PolarHBondContact O-N 3.39Å; V61-V227 VanDerWaalsContact O-N 3.12Å; V61-I376 HydrophobicContact CG1-CG2 3.8Å
62K59.3Low63Low68 Ų6867.7 Ų67.730%0.29632%0.317SS..EExtended strand (participates in β ladder)trans-94.9125.8176.1-64.4178.2-175.8174.30108.9L60 V246 T247L60-K62 PolarHBondContact O-N 3.36Å; K62-V246 HydrophobicContact CB-CB 4.27Å; K62-V246 HydrophobicContact CB-CG1 3.92Å; K62-V246 HydrophobicContact CB-CG2 4.07Å; K62-V246 HydrophobicContact CD-CG2 4.04Å; K62-T247 WeakPolarHBondContact O-CA 3.26Å; K62-T247 WeakPolarHBondContact O-CB 2.82Å; K62-T247 PolarHBondContact O-N 3.35Å
63I63.8Low62.3Low7 Ų760.5 Ų60.54%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-111.9121.7176.5-61.6178.8000109V61 P226 V227 Y228 L229 T247 V249 F369 I376V61-I63 HydrophobicContact CG1-CG1 4.3Å; I63-P226 HydrophobicContact CD1-CB 3.58Å; I63-P226 HydrophobicContact CD1-CG 4.01Å; I63-P226 HydrophobicContact CG1-CB 3.9Å; I63-V227 PolarHBondContact N-O 3.32Å; I63-Y228 HydrophobicContact CB-CD1 4.38Å; I63-Y228 HydrophobicContact CD1-CE1 4.43Å; I63-Y228 WeakPolarHBondContact O-CA 3.28Å; I63-L229 PolarHBondContact O-N 2.82Å; I63-T247 VanDerWaalsContact CA-O 3.32Å; I63-T247 WeakPolarHBondContact CA-O 2.93Å; I63-V249 HydrophobicContact CG2-CB 3.89Å; I63-V249 HydrophobicContact CG2-CG2 3.51Å; I63-F369 HydrophobicContact CD1-CE2 4.5Å; I63-I376 HydrophobicContact CD1-CD1 4.45Å
64L63.7Low62Low14 Ų1457.2 Ų57.27%0.07328%0.278CS..EExtended strand (participates in β ladder)trans-103.3131.1171.9-17967.5000111.1L66 L229 F243 V246 T247 N248 V249L64-L66 HydrophobicContact CD1-CD2 4.48Å; L64-L66 HydrophobicContact CD2-CD1 3.95Å; L64-L66 HydrophobicContact CD2-CD2 3.71Å; L64-L66 HydrophobicContact CD2-CG 3.8Å; L64-L66 HydrophobicContact CG-CD2 3.96Å; L64-L66 HydrophobicContact CG-CG 3.92Å; L64-L229 HydrophobicContact CD1-CB 3.41Å; L64-L229 VanDerWaalsContact CD1-CB 3.41Å; L64-L229 HydrophobicContact CD1-CD1 4.31Å; L64-F243 HydrophobicContact CD2-CD1 4.29Å; L64-F243 HydrophobicContact CD2-CE1 3.13Å; L64-F243 HydrophobicContact CD2-CZ 3.39Å; L64-V246 HydrophobicContact CB-CG1 3.67Å; L64-T247 PolarHBondContact N-O 2.74Å; L64-N248 VanDerWaalsContact CB-OD1 3.28Å; L64-N248 WeakPolarHBondContact CB-OD1 3.13Å; L64-N248 WeakPolarHBondContact CD2-OD1 3.5Å; L64-V249 CarbonylContact O-C 3.56Å; L64-V249 WeakPolarHBondContact O-CA 3.4Å; L64-V249 PolarHBondContact O-N 3.04Å
65L63.3Low61.9Low0 Ų050.8 Ų50.80%026%0.257CS..EExtended strand (participates in β ladder)trans-98.9111.9174.7-69.7166.5000111F76 L77 L229 V249L65-F76 HydrophobicContact CD1-CD1 3.69Å; L65-F76 HydrophobicContact CD1-CE1 4.33Å; L65-F76 HydrophobicContact CD2-CD1 3.87Å; L65-F76 HydrophobicContact CD2-CE1 4.02Å; L65-F76 HydrophobicContact CG-CD1 4.45Å; L65-L77 HydrophobicContact CD1-CD1 4.36Å; L65-L77 HydrophobicContact CD1-CD2 3.44Å; L65-L77 VanDerWaalsContact CD1-CD2 3.44Å; L65-L77 HydrophobicContact CD1-CG 3.62Å; L65-L229 PolarHBondContact N-O 3.38Å; L65-V249 WeakPolarHBondContact CA-O 3.47Å; L65-V249 HydrophobicContact CD2-CB 3.96Å; L65-V249 HydrophobicContact CD2-CG1 3.64Å
66L65.4Low61.8Low4 Ų444 Ų442%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-110.3148.4178.4-64.4176.1000111.6L64 W239 V249 L250 R251 I286L64-L66 HydrophobicContact CD1-CD2 4.48Å; L64-L66 HydrophobicContact CD2-CD1 3.95Å; L64-L66 HydrophobicContact CD2-CD2 3.71Å; L64-L66 HydrophobicContact CD2-CG 3.8Å; L64-L66 HydrophobicContact CG-CD2 3.96Å; L64-L66 HydrophobicContact CG-CG 3.92Å; L66-W239 HydrophobicContact CD2-CD2 4.4Å; L66-W239 HydrophobicContact CD2-CE3 4.23Å; L66-W239 HydrophobicContact CD2-CZ3 4.34Å; L66-V249 PolarHBondContact N-O 2.74Å; L66-V249 VanDerWaalsContact N-O 3.1Å; L66-L250 HydrophobicContact CB-CD1 4.34Å; L66-L250 HydrophobicContact CB-CG 4.17Å; L66-R251 PolarHBondContact O-N 2.65Å; L66-I286 HydrophobicContact CB-CD1 4.41Å; L66-I286 HydrophobicContact CD1-CD1 3.98Å; L66-I286 HydrophobicContact CD1-CG2 4.25Å
67G58.7Low62Low12 Ų1241.7 Ų41.712%0.12421%0.212CC..  trans159.2166.3172.300000113.7K73G67-K73 PolarHBondContact O-NZ 3.47Å
68A54.6Low62.5Low13 Ų1338.6 Ų38.611%0.10719%0.193CC..SBendtrans-58163.7-179.900000113.6E70 S71 K73 I282A68-E70 PolarHBondContact O-N 3.44Å; A68-S71 VanDerWaalsContact O-CB 3.32Å; A68-S71 WeakPolarHBondContact O-CB 3.38Å; A68-S71 PolarHBondContact O-N 2.87Å; A68-S71 PolarHBondContact O-OG 2.82Å; A68-S71 VanDerWaalsContact O-OG 3.04Å; A68-K73 PolarHBondContact O-NZ 2.83Å; A68-I282 HydrophobicContact CB-CD1 4.29Å
69G52.1Low62.9Low50 Ų5028.6 Ų28.652%0.51516%0.155SC..THydrogen-bonded Turntrans-51137.1172.700000111.7S71G69-S71 VanDerWaalsContact C-N 3.28Å; G69-S71 PolarHBondContact O-N 2.92Å
70E58.2Low63.2Low56 Ų5619.1 Ų19.126%0.26212%0.12SC..THydrogen-bonded Turntrans61.619.6-178.7-45.8-176.8156.200116.9A68 G72 R210 R253 R256 K303A68-E70 PolarHBondContact O-N 3.44Å; E70-G72 PolarHBondContact O-N 3.44Å; E70-R210 IonicContact OE1-CZ 2.77Å; E70-R210 VanDerWaalsContact OE1-CZ 3.26Å; E70-R210 IonicContact OE1-NH1 3.57Å; E70-R210 PolarHBondContact OE1-NH1 3.1Å; E70-R210 IonicContact OE1-NH2 3.07Å; E70-R210 PolarHBondContact OE1-NH2 2.74Å; E70-R210 VanDerWaalsContact OE1-NH2 3.14Å; E70-R210 IonicContact OE2-NH2 3.88Å; E70-R253 PolarHBondContact O-NH1 3.21Å; E70-R253 IonicContact OE2-NH1 3.05Å; E70-R253 IonicContact OE2-NH2 3.09Å; E70-R256 IonicContact OE2-CZ 3.67Å; E70-R256 IonicContact OE2-NH1 3.69Å; E70-R256 PolarHBondContact OE2-NH1 3.3Å; E70-R256 IonicContact OE2-NH2 2.88Å; E70-K303 PolarHBondContact O-NZ 2.95Å
71S59.5Low63.7Low0 Ų020.5 Ų20.50%012%0.123CC..SBendtrans-69.1-5.7176.663.10000114.7A68 G69 K73 N302A68-S71 VanDerWaalsContact O-CB 3.32Å; A68-S71 WeakPolarHBondContact O-CB 3.38Å; A68-S71 PolarHBondContact O-N 2.87Å; A68-S71 PolarHBondContact O-OG 2.82Å; A68-S71 VanDerWaalsContact O-OG 3.04Å; G69-S71 VanDerWaalsContact C-N 3.28Å; G69-S71 PolarHBondContact O-N 2.92Å; S71-K73 WeakPolarHBondContact OG-CG 3.47Å; S71-K73 PolarHBondContact OG-NZ 3.4Å; S71-N302 PolarHBondContact O-ND2 3.35Å
72G61.9Low64.2Low14 Ų1421.5 Ų21.514%0.14413%0.126CC..SBendtrans93.717.4-179.400000114.7E70 S74 T75 F76E70-G72 PolarHBondContact O-N 3.44Å; G72-S74 PolarHBondContact O-N 3.26Å; G72-T75 PolarHBondContact O-N 2.84Å; G72-F76 PolarHBondContact O-N 3.11Å
73K64.6Low64.6Low27 Ų2719.3 Ų19.312%0.11712%0.118CC..Hα-helixtrans-54.4-50.7176.7-65.3-178-66.4-75.50112.7G67 A68 S71 T75 F76 L77G67-K73 PolarHBondContact O-NZ 3.47Å; A68-K73 PolarHBondContact O-NZ 2.83Å; S71-K73 WeakPolarHBondContact OG-CG 3.47Å; S71-K73 PolarHBondContact OG-NZ 3.4Å; K73-T75 VanDerWaalsContact C-N 3.32Å; K73-T75 PolarHBondContact O-N 3.01Å; K73-F76 PolarHBondContact O-N 3.25Å; K73-L77 PolarHBondContact O-N 3.12Å
74S65.4Low64.8Low27 Ų2721.2 Ų21.219%0.18913%0.128CC..Hα-helixtrans-61.6-40.8178.6-48.20000111.9G72 L77 K78G72-S74 PolarHBondContact O-N 3.26Å; S74-L77 PolarHBondContact O-N 3.14Å; S74-K78 VanDerWaalsContact O-CG 3.29Å; S74-K78 WeakPolarHBondContact O-CG 3.36Å; S74-K78 PolarHBondContact O-N 2.91Å
75T69.1Low64.8Low30 Ų3023.6 Ų23.618%0.18416%0.156CC..Hα-helixtrans-63-43176.3-50.80000111.3G72 K73 L77 K78 Q79 L207 A359G72-T75 PolarHBondContact O-N 2.84Å; K73-T75 VanDerWaalsContact C-N 3.32Å; K73-T75 PolarHBondContact O-N 3.01Å; T75-L77 PolarHBondContact O-N 3.35Å; T75-K78 PolarHBondContact O-N 3.11Å; T75-Q79 WeakPolarHBondContact O-CG 3.3Å; T75-Q79 PolarHBondContact O-N 3.42Å; T75-L207 HydrophobicContact CG2-CB 4.17Å; T75-L207 HydrophobicContact CG2-CD2 4.45Å; T75-L207 WeakPolarHBondContact CG2-O 3.31Å; T75-L207 PolarHBondContact OG1-O 3.42Å; T75-A359 HydrophobicContact CG2-CB 3.81Å
76F69.2Low64.9Low4 Ų425.6 Ų25.62%0.01817%0.165CC..Hα-helixtrans-62.1-43.1175.7-172.2-88.7000112L65 G72 K73 K78 Q79 M80 F300 I365L65-F76 HydrophobicContact CD1-CD1 3.69Å; L65-F76 HydrophobicContact CD1-CE1 4.33Å; L65-F76 HydrophobicContact CD2-CD1 3.87Å; L65-F76 HydrophobicContact CD2-CE1 4.02Å; L65-F76 HydrophobicContact CG-CD1 4.45Å; G72-F76 PolarHBondContact O-N 3.11Å; K73-F76 PolarHBondContact O-N 3.25Å; F76-K78 VanDerWaalsContact C-N 3.33Å; F76-K78 PolarHBondContact O-N 2.87Å; F76-Q79 PolarHBondContact O-N 3.21Å; F76-M80 HydrophobicContact CD1-CG 3.97Å; F76-M80 HydrophobicContact CE1-CE 4.18Å; F76-M80 HydrophobicContact CE1-CG 3.7Å; F76-M80 HydrophobicContact CE1-SD 4.13Å; F76-M80 HydrophobicContact CE2-CE 4.32Å; F76-M80 HydrophobicContact CZ-CE 3.91Å; F76-M80 HydrophobicContact CZ-CG 4.38Å; F76-M80 HydrophobicContact CZ-SD 4.31Å; F76-M80 WeakPolarHBondContact O-CG 3.42Å; F76-M80 PolarHBondContact O-N 3.48Å; F76-F300 HydrophobicContact CD2-CE2 4.46Å; F76-F300 HydrophobicContact CE1-CE2 4.39Å; F76-F300 HydrophobicContact CE2-CD2 4.34Å; F76-F300 AromaticContact CE2-CE2 3.67Å; F76-F300 HydrophobicContact CE2-CE2 3.67Å; F76-F300 HydrophobicContact CE2-CZ 4.08Å; F76-F300 AromaticContact CZ-CE2 3.62Å; F76-F300 HydrophobicContact CZ-CE2 3.62Å; F76-F300 HydrophobicContact CZ-CZ 4.03Å; F76-I365 HydrophobicContact CD2-CD1 4.05Å; F76-I365 HydrophobicContact CD2-CG2 4.3Å; F76-I365 HydrophobicContact CE2-CD1 4.15Å; F76-I365 HydrophobicContact CE2-CG2 4.04Å
77L69.8Low64.8Low4 Ų434.2 Ų34.22%0.02121%0.205CC..Hα-helixtrans-62.7-38.6175.2-72.7173.9000112.8L65 K73 S74 T75 M80 R81 I213 L218 Y228 N230L65-L77 HydrophobicContact CD1-CD1 4.36Å; L65-L77 HydrophobicContact CD1-CD2 3.44Å; L65-L77 VanDerWaalsContact CD1-CD2 3.44Å; L65-L77 HydrophobicContact CD1-CG 3.62Å; K73-L77 PolarHBondContact O-N 3.12Å; S74-L77 PolarHBondContact O-N 3.14Å; T75-L77 PolarHBondContact O-N 3.35Å; L77-M80 WeakPolarHBondContact O-CB 3.44Å; L77-M80 PolarHBondContact O-N 2.85Å; L77-R81 PolarHBondContact O-N 2.8Å; L77-R81 VanDerWaalsContact O-N 3.07Å; L77-I213 HydrophobicContact CB-CD1 3.93Å; L77-L218 HydrophobicContact CD2-CD1 4.16Å; L77-Y228 VanDerWaalsContact CD2-CB 3.41Å; L77-Y228 HydrophobicContact CD2-CD1 4.01Å; L77-Y228 HydrophobicContact CD2-CG 3.78Å; L77-N230 HydrophobicContact CD1-CB 3.92Å
78K71.3Confident65.2Low0 Ų035.2 Ų35.20%021%0.206CC..Hα-helixtrans-63.9-45.6174.9-70.5173.1176-174.50111S74 T75 F76 M80 R81 I82 F88 F96 V206 L207 S209 I213S74-K78 VanDerWaalsContact O-CG 3.29Å; S74-K78 WeakPolarHBondContact O-CG 3.36Å; S74-K78 PolarHBondContact O-N 2.91Å; T75-K78 PolarHBondContact O-N 3.11Å; F76-K78 VanDerWaalsContact C-N 3.33Å; F76-K78 PolarHBondContact O-N 2.87Å; K78-M80 VanDerWaalsContact C-N 3.28Å; K78-M80 PolarHBondContact O-N 2.96Å; K78-R81 PolarHBondContact O-N 3.12Å; K78-R81 VanDerWaalsContact O-N 3.1Å; K78-I82 WeakPolarHBondContact O-CG1 3.48Å; K78-I82 PolarHBondContact O-N 3.38Å; K78-F88 HydrophobicContact CB-CZ 4.41Å; K78-F96 VanDerWaalsContact CE-CE1 3.49Å; K78-V206 HydrophobicContact CD-CG1 4.19Å; K78-V206 VanDerWaalsContact CD-O 3.23Å; K78-V206 WeakPolarHBondContact CD-O 3.2Å; K78-V206 WeakPolarHBondContact CE-O 3.48Å; K78-V206 PolarHBondContact NZ-O 3.25Å; K78-L207 HydrophobicContact CB-CD2 3.82Å; K78-S209 PolarHBondContact NZ-O 3.49Å; K78-I213 HydrophobicContact CG-CD1 3.81Å
79Q68.9Low66Low0 Ų040 Ų400%023%0.23CC..Hα-helixtrans-58.2-41.6173.7-71.2-70.117.400111.8T75 F76 R81 I82 I83 L207 A359 V360 T362 I365T75-Q79 WeakPolarHBondContact O-CG 3.3Å; T75-Q79 PolarHBondContact O-N 3.42Å; F76-Q79 PolarHBondContact O-N 3.21Å; Q79-R81 VanDerWaalsContact C-N 3.3Å; Q79-R81 PolarHBondContact O-N 2.94Å; Q79-I82 PolarHBondContact O-N 2.98Å; Q79-I83 HydrophobicContact CB-CD1 4.37Å; Q79-I83 WeakPolarHBondContact O-CB 3.48Å; Q79-I83 WeakPolarHBondContact O-CD1 3.07Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.47Å; Q79-I83 PolarHBondContact O-N 3.23Å; Q79-L207 HydrophobicContact CG-CD2 3.71Å; Q79-A359 WeakPolarHBondContact CG-O 3.3Å; Q79-A359 PolarHBondContact NE2-O 3.07Å; Q79-V360 PolarHBondContact NE2-O 3.21Å; Q79-T362 PolarHBondContact NE2-OG1 3.02Å; Q79-T362 PolarHBondContact OE1-OG1 3.09Å; Q79-I365 HydrophobicContact CB-CB 4.46Å; Q79-I365 HydrophobicContact CB-CG2 3.85Å; Q79-I365 HydrophobicContact CG-CG1 4.34Å; Q79-I365 HydrophobicContact CG-CG2 4.43Å
80M67.8Low66.7Low1 Ų145.7 Ų45.71%0.00524%0.24CC..Hα-helixtrans-61.8-35.7176-72.1-61.7107.300113F76 L77 K78 I83 N84 Y228 I365 F369F76-M80 HydrophobicContact CD1-CG 3.97Å; F76-M80 HydrophobicContact CE1-CE 4.18Å; F76-M80 HydrophobicContact CE1-CG 3.7Å; F76-M80 HydrophobicContact CE1-SD 4.13Å; F76-M80 HydrophobicContact CE2-CE 4.32Å; F76-M80 HydrophobicContact CZ-CE 3.91Å; F76-M80 HydrophobicContact CZ-CG 4.38Å; F76-M80 HydrophobicContact CZ-SD 4.31Å; F76-M80 WeakPolarHBondContact O-CG 3.42Å; F76-M80 PolarHBondContact O-N 3.48Å; L77-M80 WeakPolarHBondContact O-CB 3.44Å; L77-M80 PolarHBondContact O-N 2.85Å; K78-M80 VanDerWaalsContact C-N 3.28Å; K78-M80 PolarHBondContact O-N 2.96Å; M80-I83 HydrophobicContact CE-CD1 3.95Å; M80-N84 VanDerWaalsContact O-CB 3.25Å; M80-N84 WeakPolarHBondContact O-CB 3.39Å; M80-N84 VanDerWaalsContact O-CG 3.27Å; M80-N84 PolarHBondContact O-N 3.09Å; M80-N84 PolarHBondContact O-ND2 2.86Å; M80-Y228 HydrophobicContact CB-CE1 4.17Å; M80-Y228 HydrophobicContact CB-CE2 4.29Å; M80-Y228 HydrophobicContact CG-CE1 3.81Å; M80-Y228 HydrophobicContact SD-CE1 4.23Å; M80-I365 HydrophobicContact CE-CG2 3.37Å; M80-F369 HydrophobicContact CE-CB 3.73Å; M80-F369 HydrophobicContact CE-CD1 4.44Å; M80-F369 HydrophobicContact CE-CD2 3.76Å; M80-F369 HydrophobicContact CE-CE2 4.48Å; M80-F369 HydrophobicContact CE-CG 3.72Å; M80-F369 HydrophobicContact SD-CB 4.35Å; M80-F369 HydrophobicContact SD-CD1 4.19Å; M80-F369 HydrophobicContact SD-CD2 3.25Å; M80-F369 WeakPolarHBondContact SD-CD2 3.47Å; M80-F369 HydrophobicContact SD-CE1 4.31Å; M80-F369 HydrophobicContact SD-CE2 3.4Å; M80-F369 WeakPolarHBondContact SD-CE2 3.12Å; M80-F369 HydrophobicContact SD-CG 3.67Å; M80-F369 HydrophobicContact SD-CZ 3.93Å
81R70.3Confident67.2Low59 Ų5949.4 Ų49.422%0.22326%0.256CS..Hα-helixtrans-66.6-47173.8-74-172.7176.6-168.9-2.1111.2L77 K78 Q79 N84 G85 Q86 F88 L218L77-R81 PolarHBondContact O-N 2.8Å; L77-R81 VanDerWaalsContact O-N 3.07Å; K78-R81 PolarHBondContact O-N 3.12Å; K78-R81 VanDerWaalsContact O-N 3.1Å; Q79-R81 VanDerWaalsContact C-N 3.3Å; Q79-R81 PolarHBondContact O-N 2.94Å; R81-N84 PolarHBondContact O-N 3.14Å; R81-G85 PolarHBondContact O-N 3.09Å; R81-Q86 HydrophobicContact CB-CB 4.34Å; R81-Q86 PolarHBondContact O-N 2.92Å; R81-F88 HydrophobicContact CB-CZ 4.27Å; R81-L218 HydrophobicContact CG-CD2 4.25Å
82I71.4Confident67.6Low61 Ų6150.9 Ų50.931%0.31327%0.268SS..Hα-helixtrans-59.9-52179.6-64.2168.2000110.9K78 Q79 N84 G85 F88 L207K78-I82 WeakPolarHBondContact O-CG1 3.48Å; K78-I82 PolarHBondContact O-N 3.38Å; Q79-I82 PolarHBondContact O-N 2.98Å; I82-N84 VanDerWaalsContact C-N 3.27Å; I82-N84 PolarHBondContact O-N 3.5Å; I82-G85 PolarHBondContact O-N 3.3Å; I82-G85 VanDerWaalsContact O-N 3.09Å; I82-F88 HydrophobicContact CD1-CE2 4.13Å; I82-F88 HydrophobicContact CG1-CE2 3.7Å; I82-F88 HydrophobicContact CG1-CZ 4.24Å; I82-L207 HydrophobicContact CD1-CD2 3.8Å; I82-L207 HydrophobicContact CD1-CG 4.31Å
83I68Low67.9Low23 Ų2352.8 Ų52.812%0.11827%0.274CS..Hα-helixtrans-63.4-33.9-177.2-68.2163.3000111.8Q79 M80 G85 T362 I365 R366Q79-I83 HydrophobicContact CB-CD1 4.37Å; Q79-I83 WeakPolarHBondContact O-CB 3.48Å; Q79-I83 WeakPolarHBondContact O-CD1 3.07Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.47Å; Q79-I83 PolarHBondContact O-N 3.23Å; M80-I83 HydrophobicContact CE-CD1 3.95Å; I83-G85 PolarHBondContact O-N 3.19Å; I83-T362 HydrophobicContact CD1-CG2 4.48Å; I83-T362 HydrophobicContact CG1-CG2 4.08Å; I83-I365 HydrophobicContact CD1-CB 4.2Å; I83-I365 HydrophobicContact CD1-CG2 3.73Å; I83-R366 HydrophobicContact CD1-CB 4.18Å; I83-R366 HydrophobicContact CG2-CG 4.4Å
84N67.8Low68.2Low46 Ų4654.6 Ų54.625%0.24629%0.285CS..THydrogen-bonded Turntrans-84.510.9179.1-70.5-47000113.8M80 R81 I82 Q86 Y228M80-N84 VanDerWaalsContact O-CB 3.25Å; M80-N84 WeakPolarHBondContact O-CB 3.39Å; M80-N84 VanDerWaalsContact O-CG 3.27Å; M80-N84 PolarHBondContact O-N 3.09Å; M80-N84 PolarHBondContact O-ND2 2.86Å; R81-N84 PolarHBondContact O-N 3.14Å; I82-N84 VanDerWaalsContact C-N 3.27Å; I82-N84 PolarHBondContact O-N 3.5Å; N84-Q86 VanDerWaalsContact C-N 3.29Å; N84-Q86 PolarHBondContact O-N 2.83Å; N84-Y228 PolarHBondContact ND2-OH 2.76Å
85G63.4Low68.5Low64 Ų6454.8 Ų54.866%0.6628%0.284SS*.THydrogen-bonded Turntrans69.422.617700000113.9R81 I82 I83 E87R81-G85 PolarHBondContact O-N 3.09Å; I82-G85 PolarHBondContact O-N 3.3Å; I82-G85 VanDerWaalsContact O-N 3.09Å; I83-G85 PolarHBondContact O-N 3.19Å; G85-E87 PolarHBondContact O-N 3.02Å
86Q66.2Low68.5Low42 Ų4254 Ų5420%0.19628%0.278CS..  trans-90.1103.8173.4-67.4-173.8-9.600109.2R81 N84R81-Q86 HydrophobicContact CB-CB 4.34Å; R81-Q86 PolarHBondContact O-N 2.92Å; N84-Q86 VanDerWaalsContact C-N 3.29Å; N84-Q86 PolarHBondContact O-N 2.83Å
87E63.7Low68.8Low185 Ų18555.7 Ų55.786%0.86428%0.284SS*.PPolyproline II helixtrans-66.9148173.2-64.5-177.4-17700111.2G85G85-E87 PolarHBondContact O-N 3.02Å
88F66.9Low69Low34 Ų3456.3 Ų56.315%0.14929%0.288CS..PPolyproline II helixtrans-81.3130.5172.9-63.4-80000109.1K78 R81 I82 A92 L93 F96 V206K78-F88 HydrophobicContact CB-CZ 4.41Å; R81-F88 HydrophobicContact CB-CZ 4.27Å; I82-F88 HydrophobicContact CD1-CE2 4.13Å; I82-F88 HydrophobicContact CG1-CE2 3.7Å; I82-F88 HydrophobicContact CG1-CZ 4.24Å; F88-A92 HydrophobicContact CB-CB 4.44Å; F88-L93 HydrophobicContact CB-CD2 3.75Å; F88-L93 HydrophobicContact CB-CG 4.01Å; F88-L93 HydrophobicContact CG-CD2 4.48Å; F88-F96 AromaticContact CD1-CE2 3.67Å; F88-F96 HydrophobicContact CD1-CE2 3.67Å; F88-F96 HydrophobicContact CD1-CZ 4.29Å; F88-F96 AromaticContact CE1-CE2 3.91Å; F88-F96 HydrophobicContact CE1-CE2 3.91Å; F88-F96 HydrophobicContact CE1-CZ 4.15Å; F88-F96 HydrophobicContact CG-CE2 4.17Å; F88-V206 HydrophobicContact CD2-CG1 4.38Å; F88-V206 HydrophobicContact CE1-CG1 4.42Å; F88-V206 HydrophobicContact CE2-CG1 3.9Å; F88-V206 HydrophobicContact CZ-CG1 3.92Å
89D70.6Confident69.2Low112 Ų11257.3 Ų57.360%0.59929%0.293SS*.PPolyproline II helixtrans-60.6151.7173.9-176.424000111.1K91 A92 L93D89-K91 PolarHBondContact O-N 3.32Å; D89-K91 VanDerWaalsContact O-N 3.14Å; D89-A92 WeakPolarHBondContact O-CA 3.49Å; D89-A92 WeakPolarHBondContact O-CB 3.42Å; D89-A92 PolarHBondContact O-N 3.45Å; D89-L93 PolarHBondContact O-N 2.86Å
90K66.8Low69.5Low170 Ų17057.4 Ų57.474%0.73929%0.294SS*.Hα-helixtrans-52.8-38.5180-71.3-176.6178.6179.50111.8L93 L94K90-L93 PolarHBondContact O-N 2.82Å; K90-L94 WeakPolarHBondContact O-CG 3.13Å; K90-L94 PolarHBondContact O-N 2.93Å
91K69.6Low70.1Confident135 Ų13558 Ų5859%0.58730%0.296SS*.Hα-helixtrans-62.2-44175.3-173.4179.8178.8-178.40112.2D89 L93 L94 D95D89-K91 PolarHBondContact O-N 3.32Å; D89-K91 VanDerWaalsContact O-N 3.14Å; K91-L93 VanDerWaalsContact C-N 3.35Å; K91-L94 PolarHBondContact O-N 3.39Å; K91-D95 WeakPolarHBondContact O-CB 3.25Å; K91-D95 PolarHBondContact O-N 3.09Å; K91-D95 VanDerWaalsContact O-N 3.07Å
92A67.6Low70.5Confident30 Ų3057.8 Ų57.825%0.24830%0.298CS..Hα-helixtrans-67.5-37.3177.800000111.7F88 D89 D95 F96F88-A92 HydrophobicContact CB-CB 4.44Å; D89-A92 WeakPolarHBondContact O-CA 3.49Å; D89-A92 WeakPolarHBondContact O-CB 3.42Å; D89-A92 PolarHBondContact O-N 3.45Å; A92-D95 PolarHBondContact O-N 3.35Å; A92-F96 HydrophobicContact CB-CE2 4.33Å; A92-F96 WeakPolarHBondContact O-CD2 3.36Å; A92-F96 WeakPolarHBondContact O-CG 3.39Å; A92-F96 PolarHBondContact O-N 2.94Å
93L68.1Low70.9Confident55 Ų5555.4 Ų55.429%0.28829%0.286SS..Hα-helixtrans-59.4-55.3173-66.3174.3000110.2F88 D89 K90 K91 D95 F96 R97 F202 V206F88-L93 HydrophobicContact CB-CD2 3.75Å; F88-L93 HydrophobicContact CB-CG 4.01Å; F88-L93 HydrophobicContact CG-CD2 4.48Å; D89-L93 PolarHBondContact O-N 2.86Å; K90-L93 PolarHBondContact O-N 2.82Å; K91-L93 VanDerWaalsContact C-N 3.35Å; L93-D95 VanDerWaalsContact C-N 3.26Å; L93-D95 PolarHBondContact O-N 3.14Å; L93-F96 WeakPolarHBondContact O-CA 3.26Å; L93-F96 WeakPolarHBondContact O-CB 3.36Å; L93-F96 PolarHBondContact O-N 3.4Å; L93-R97 PolarHBondContact O-N 2.98Å; L93-F202 HydrophobicContact CB-CD1 4.49Å; L93-F202 HydrophobicContact CB-CE1 3.65Å; L93-F202 HydrophobicContact CB-CZ 4.3Å; L93-F202 HydrophobicContact CD2-CD1 3.78Å; L93-F202 HydrophobicContact CD2-CE1 3.54Å; L93-F202 HydrophobicContact CG-CE1 4.16Å; L93-F202 WeakPolarHBondContact O-CE1 3.43Å; L93-F202 WeakPolarHBondContact O-CZ 3.33Å; L93-V206 HydrophobicContact CD2-CG2 4.29Å
94L70.3Confident71.5Confident65 Ų6554.4 Ų54.434%0.3428%0.281SS..Hα-helixtrans-53.5-43.8178-68.3170.9000112.6K90 K91 F96 R97 D98K90-L94 WeakPolarHBondContact O-CG 3.13Å; K90-L94 PolarHBondContact O-N 2.93Å; K91-L94 PolarHBondContact O-N 3.39Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.49Å; L94-R97 VanDerWaalsContact O-CB 3.24Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 PolarHBondContact O-N 3.47Å; L94-R97 VanDerWaalsContact O-N 3.14Å; L94-D98 VanDerWaalsContact O-CG 3.28Å; L94-D98 PolarHBondContact O-N 3.23Å; L94-D98 VanDerWaalsContact O-N 3.13Å
95D71.5Confident72.3Confident30 Ų3052.2 Ų52.216%0.1627%0.269CS..Hα-helixtrans-62.5-34.6176.4-80.713.8000113.4K91 A92 L93 T99 R145 R211K91-D95 WeakPolarHBondContact O-CB 3.25Å; K91-D95 PolarHBondContact O-N 3.09Å; K91-D95 VanDerWaalsContact O-N 3.07Å; A92-D95 PolarHBondContact O-N 3.35Å; L93-D95 VanDerWaalsContact C-N 3.26Å; L93-D95 PolarHBondContact O-N 3.14Å; D95-T99 PolarHBondContact O-N 3.03Å; D95-T99 PolarHBondContact O-OG1 3.39Å; D95-R145 IonicContact OD1-CZ 3.55Å; D95-R145 IonicContact OD1-NE 2.7Å; D95-R145 IonicContact OD1-NH2 3.81Å; D95-R145 PolarHBondContact OD1-NH2 3.5Å; D95-R211 VanDerWaalsContact CB-NH1 3.25Å; D95-R211 IonicContact OD2-CZ 3.62Å; D95-R211 IonicContact OD2-NH1 3.76Å; D95-R211 PolarHBondContact OD2-NH1 2.93Å; D95-R211 IonicContact OD2-NH2 3.68Å
96F70.1Confident73.3Confident14 Ų1453 Ų536%0.06125%0.254CS..Hα-helixtrans-68.7-39.8173.2-70.9-52.5000111.9K78 F88 A92 L93 L94 D98 T99 I100 F202 V206K78-F96 VanDerWaalsContact CE-CE1 3.49Å; F88-F96 AromaticContact CD1-CE2 3.67Å; F88-F96 HydrophobicContact CD1-CE2 3.67Å; F88-F96 HydrophobicContact CD1-CZ 4.29Å; F88-F96 AromaticContact CE1-CE2 3.91Å; F88-F96 HydrophobicContact CE1-CE2 3.91Å; F88-F96 HydrophobicContact CE1-CZ 4.15Å; F88-F96 HydrophobicContact CG-CE2 4.17Å; A92-F96 HydrophobicContact CB-CE2 4.33Å; A92-F96 WeakPolarHBondContact O-CD2 3.36Å; A92-F96 WeakPolarHBondContact O-CG 3.39Å; A92-F96 PolarHBondContact O-N 2.94Å; L93-F96 WeakPolarHBondContact O-CA 3.26Å; L93-F96 WeakPolarHBondContact O-CB 3.36Å; L93-F96 PolarHBondContact O-N 3.4Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.49Å; F96-D98 VanDerWaalsContact C-N 3.33Å; F96-D98 PolarHBondContact O-N 2.86Å; F96-T99 WeakPolarHBondContact O-CB 3.25Å; F96-T99 PolarHBondContact O-N 3.46Å; F96-I100 WeakPolarHBondContact O-CB 3.07Å; F96-I100 VanDerWaalsContact O-CD1 3.3Å; F96-I100 WeakPolarHBondContact O-CD1 3.46Å; F96-I100 WeakPolarHBondContact O-CG1 3.14Å; F96-I100 PolarHBondContact O-N 3.27Å; F96-F202 HydrophobicContact CB-CZ 4.42Å; F96-V206 HydrophobicContact CB-CG2 3.97Å; F96-V206 HydrophobicContact CD1-CG1 4.37Å; F96-V206 HydrophobicContact CD2-CB 4.25Å; F96-V206 HydrophobicContact CD2-CG1 3.68Å; F96-V206 HydrophobicContact CD2-CG2 3.62Å; F96-V206 HydrophobicContact CE1-CG1 4.33Å; F96-V206 HydrophobicContact CE2-CG1 3.61Å; F96-V206 HydrophobicContact CE2-CG2 4.35Å; F96-V206 HydrophobicContact CG-CB 4.43Å; F96-V206 HydrophobicContact CG-CG1 4.08Å; F96-V206 HydrophobicContact CG-CG2 3.93Å; F96-V206 HydrophobicContact CZ-CG1 3.96Å
97R74.2Confident74.2Confident40 Ų4051 Ų5115%0.15125%0.245CC..Hα-helixtrans-55.3-50.4176.2-174.7-171.963.5-176.63.2110.7L93 L94 T99 I100 Y101 P148 F202L93-R97 PolarHBondContact O-N 2.98Å; L94-R97 VanDerWaalsContact O-CB 3.24Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 PolarHBondContact O-N 3.47Å; L94-R97 VanDerWaalsContact O-N 3.14Å; R97-T99 VanDerWaalsContact C-N 3.3Å; R97-T99 PolarHBondContact O-N 2.7Å; R97-I100 WeakPolarHBondContact O-CA 3.41Å; R97-I100 VanDerWaalsContact O-CB 3.28Å; R97-I100 WeakPolarHBondContact O-CB 3.48Å; R97-I100 PolarHBondContact O-N 3.46Å; R97-Y101 HydrophobicContact CG-CD2 4.22Å; R97-Y101 HydrophobicContact CG-CE1 4.19Å; R97-Y101 HydrophobicContact CG-CE2 3.62Å; R97-Y101 PolarHBondContact O-N 2.78Å; R97-P148 VanDerWaalsContact NH1-CG 3.34Å; R97-F202 HydrophobicContact CB-CE2 3.59Å; R97-F202 HydrophobicContact CB-CZ 3.7Å; R97-F202 HydrophobicContact CG-CE2 4Å
98D74.9Confident75.4Confident17 Ų1742.3 Ų42.39%0.09120%0.204CC..Hα-helixtrans-65.1-41.3-175.6-55.5-12.6000110L94 F96 I100 Y101 E102 R145L94-D98 VanDerWaalsContact O-CG 3.28Å; L94-D98 PolarHBondContact O-N 3.23Å; L94-D98 VanDerWaalsContact O-N 3.13Å; F96-D98 VanDerWaalsContact C-N 3.33Å; F96-D98 PolarHBondContact O-N 2.86Å; D98-I100 VanDerWaalsContact C-N 3.27Å; D98-I100 PolarHBondContact O-N 2.89Å; D98-Y101 PolarHBondContact O-N 3.48Å; D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 PolarHBondContact O-N 2.95Å; D98-R145 VanDerWaalsContact OD2-CB 3.3Å; D98-R145 WeakPolarHBondContact OD2-CB 3.39Å; D98-R145 WeakPolarHBondContact OD2-CD 3.4Å; D98-R145 WeakPolarHBondContact OD2-CG 3.18Å; D98-R145 IonicContact OD2-NE 2.57Å
99T75.4Confident76.4Confident20 Ų2044.1 Ų44.112%0.12321%0.21CC..Hα-helixtrans-61-36.9173.5-53.80000112.1D95 F96 R97 N103 S209 R211D95-T99 PolarHBondContact O-N 3.03Å; D95-T99 PolarHBondContact O-OG1 3.39Å; F96-T99 WeakPolarHBondContact O-CB 3.25Å; F96-T99 PolarHBondContact O-N 3.46Å; R97-T99 VanDerWaalsContact C-N 3.3Å; R97-T99 PolarHBondContact O-N 2.7Å; T99-N103 WeakPolarHBondContact CG2-ND2 3.26Å; T99-N103 WeakPolarHBondContact O-CB 3.18Å; T99-N103 PolarHBondContact O-N 3.14Å; T99-N103 PolarHBondContact O-ND2 2.85Å; T99-S209 WeakPolarHBondContact CB-OG 3.32Å; T99-S209 WeakPolarHBondContact CG2-OG 3.42Å; T99-R211 HydrophobicContact CG2-CB 4.13Å
100I75.4Confident77.3Confident2 Ų241 Ų411%0.0120%0.195CC..Hα-helixtrans-66.3-50.3179.8-79.4158.1000110.2F96 R97 D98 E102 N103 I104 F187 L205F96-I100 WeakPolarHBondContact O-CB 3.07Å; F96-I100 VanDerWaalsContact O-CD1 3.3Å; F96-I100 WeakPolarHBondContact O-CD1 3.46Å; F96-I100 WeakPolarHBondContact O-CG1 3.14Å; F96-I100 PolarHBondContact O-N 3.27Å; R97-I100 WeakPolarHBondContact O-CA 3.41Å; R97-I100 VanDerWaalsContact O-CB 3.28Å; R97-I100 WeakPolarHBondContact O-CB 3.48Å; R97-I100 PolarHBondContact O-N 3.46Å; D98-I100 VanDerWaalsContact C-N 3.27Å; D98-I100 PolarHBondContact O-N 2.89Å; I100-E102 VanDerWaalsContact C-N 3.29Å; I100-E102 PolarHBondContact O-N 2.95Å; I100-N103 PolarHBondContact O-N 3.2Å; I100-N103 VanDerWaalsContact O-N 3.11Å; I100-I104 HydrophobicContact CG2-CD1 3.91Å; I100-I104 WeakPolarHBondContact O-CG1 3.48Å; I100-I104 PolarHBondContact O-N 2.8Å; I100-F187 HydrophobicContact CB-CE2 4.35Å; I100-F187 HydrophobicContact CG1-CE2 4.44Å; I100-F187 HydrophobicContact CG2-CD2 4.14Å; I100-F187 HydrophobicContact CG2-CE1 4.16Å; I100-F187 HydrophobicContact CG2-CE2 3.08Å; I100-F187 HydrophobicContact CG2-CZ 3.11Å; I100-L205 HydrophobicContact CD1-CB 3.55Å; I100-L205 HydrophobicContact CG1-CB 4.38Å
101Y79Confident78.3Confident13 Ų1332.9 Ų32.95%0.05116%0.16CC..Hα-helixtrans-57.4-45.4177.7-65-20.1000111.7R97 D98 N103 I104 L105 L146 F151 I198R97-Y101 HydrophobicContact CG-CD2 4.22Å; R97-Y101 HydrophobicContact CG-CE1 4.19Å; R97-Y101 HydrophobicContact CG-CE2 3.62Å; R97-Y101 PolarHBondContact O-N 2.78Å; D98-Y101 PolarHBondContact O-N 3.48Å; Y101-N103 VanDerWaalsContact C-N 3.32Å; Y101-N103 PolarHBondContact O-N 3.35Å; Y101-I104 PolarHBondContact O-N 3.21Å; Y101-L105 PolarHBondContact O-N 3.01Å; Y101-L146 HydrophobicContact CD2-CD2 3.62Å; Y101-L146 HydrophobicContact CG-CD2 4.07Å; Y101-F151 HydrophobicContact CD1-CB 4.38Å; Y101-F151 AromaticContact CD1-CD1 3.64Å; Y101-F151 HydrophobicContact CD1-CD1 3.64Å; Y101-F151 AromaticContact CD1-CD2 3.75Å; Y101-F151 HydrophobicContact CD1-CD2 3.75Å; Y101-F151 AromaticContact CD1-CE1 3.75Å; Y101-F151 HydrophobicContact CD1-CE1 3.75Å; Y101-F151 AromaticContact CD1-CE2 3.85Å; Y101-F151 HydrophobicContact CD1-CE2 3.85Å; Y101-F151 AromaticContact CD1-CG 3.64Å; Y101-F151 HydrophobicContact CD1-CG 3.64Å; Y101-F151 AromaticContact CD1-CZ 3.85Å; Y101-F151 HydrophobicContact CD1-CZ 3.85Å; Y101-F151 HydrophobicContact CD2-CB 3.81Å; Y101-F151 HydrophobicContact CD2-CD2 4.27Å; Y101-F151 AromaticContact CD2-CG 3.95Å; Y101-F151 HydrophobicContact CD2-CG 3.95Å; Y101-F151 AromaticContact CE1-CD1 3.59Å; Y101-F151 HydrophobicContact CE1-CD1 3.59Å; Y101-F151 HydrophobicContact CE1-CD2 4.5Å; Y101-F151 AromaticContact CE1-CE1 3.82Å; Y101-F151 HydrophobicContact CE1-CE1 3.82Å; Y101-F151 AromaticContact CE1-CG 3.96Å; Y101-F151 HydrophobicContact CE1-CG 3.96Å; Y101-F151 HydrophobicContact CE1-CZ 4.38Å; Y101-F151 HydrophobicContact CE2-CB 3.94Å; Y101-F151 HydrophobicContact CE2-CD1 4.44Å; Y101-F151 HydrophobicContact CE2-CG 4.21Å; Y101-F151 HydrophobicContact CG-CB 4.02Å; Y101-F151 HydrophobicContact CG-CD1 4.13Å; Y101-F151 AromaticContact CG-CD2 3.61Å; Y101-F151 HydrophobicContact CG-CD2 3.61Å; Y101-F151 HydrophobicContact CG-CE2 4.07Å; Y101-F151 AromaticContact CG-CG 3.64Å; Y101-F151 HydrophobicContact CG-CG 3.64Å; Y101-F151 AromaticContact CZ-CD1 3.99Å; Y101-I198 HydrophobicContact CE1-CD1 4.04Å; Y101-I198 HydrophobicContact CE1-CG2 4.18Å
102E79.9Confident79.4Confident55 Ų5527.1 Ų27.126%0.25714%0.136SC..Hα-helixtrans-60.3-41.8176.6-161.6-169.1-174.400112.1D98 I100 I104 K106 W137D98-E102 WeakPolarHBondContact O-CB 3.45Å; D98-E102 PolarHBondContact O-N 2.95Å; I100-E102 VanDerWaalsContact C-N 3.29Å; I100-E102 PolarHBondContact O-N 2.95Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.36Å; E102-K106 VanDerWaalsContact CD-NZ 3.27Å; E102-K106 HydrophobicContact CG-CD 4.12Å; E102-K106 VanDerWaalsContact O-CB 3.26Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 VanDerWaalsContact O-CG 3.27Å; E102-K106 WeakPolarHBondContact O-CG 3.3Å; E102-K106 PolarHBondContact O-N 3.23Å; E102-K106 WeakPolarHBondContact OE1-CE 3.22Å; E102-K106 IonicContact OE1-NZ 2.68Å; E102-K106 PolarHBondContact OE1-NZ 2.76Å; E102-K106 IonicContact OE2-NZ 3.14Å; E102-W137 HydrophobicContact CG-CH2 3.67Å; E102-W137 HydrophobicContact CG-CZ2 4.05Å
103N79.1Confident80.5Confident12 Ų1228.3 Ų28.36%0.06414%0.138CC..Hα-helixtrans-66.2-34.2177.4-76.2-48.5000112.7T99 I100 Y101 G107 L180 T183T99-N103 WeakPolarHBondContact CG2-ND2 3.26Å; T99-N103 WeakPolarHBondContact O-CB 3.18Å; T99-N103 PolarHBondContact O-N 3.14Å; T99-N103 PolarHBondContact O-ND2 2.85Å; I100-N103 PolarHBondContact O-N 3.2Å; I100-N103 VanDerWaalsContact O-N 3.11Å; Y101-N103 VanDerWaalsContact C-N 3.32Å; Y101-N103 PolarHBondContact O-N 3.35Å; N103-G107 WeakPolarHBondContact O-CA 3.15Å; N103-G107 PolarHBondContact O-N 2.88Å; N103-L180 HydrophobicContact CB-CD1 4.32Å; N103-T183 HydrophobicContact CB-CG2 4.27Å
104I80.7Confident81.4Confident1 Ų125.9 Ų25.91%0.00513%0.126CC..Hα-helixtrans-69.2-50.3177.2-64.6162.7000109.7I100 Y101 E102 G107 M108 F151 L158 T183 F187 L188I100-I104 HydrophobicContact CG2-CD1 3.91Å; I100-I104 WeakPolarHBondContact O-CG1 3.48Å; I100-I104 PolarHBondContact O-N 2.8Å; Y101-I104 PolarHBondContact O-N 3.21Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.36Å; I104-G107 WeakPolarHBondContact O-CA 3.48Å; I104-G107 PolarHBondContact O-N 2.88Å; I104-G107 VanDerWaalsContact O-N 3.16Å; I104-M108 PolarHBondContact O-N 3.16Å; I104-F151 HydrophobicContact CB-CE2 4.28Å; I104-F151 HydrophobicContact CB-CZ 4.36Å; I104-F151 HydrophobicContact CD1-CE2 4.35Å; I104-F151 HydrophobicContact CD1-CZ 3.8Å; I104-F151 HydrophobicContact CG2-CE2 4.33Å; I104-F151 HydrophobicContact CG2-CZ 4.18Å; I104-L158 HydrophobicContact CG2-CD1 3.76Å; I104-L158 HydrophobicContact CG2-CD2 4.19Å; I104-T183 HydrophobicContact CG1-CG2 4.26Å; I104-F187 HydrophobicContact CD1-CB 4.16Å; I104-F187 HydrophobicContact CD1-CD1 3.44Å; I104-F187 VanDerWaalsContact CD1-CD1 3.44Å; I104-F187 HydrophobicContact CD1-CD2 3.83Å; I104-F187 HydrophobicContact CD1-CE1 3.62Å; I104-F187 HydrophobicContact CD1-CE2 3.96Å; I104-F187 HydrophobicContact CD1-CG 3.53Å; I104-F187 HydrophobicContact CD1-CZ 3.86Å; I104-F187 HydrophobicContact CG1-CB 4.31Å; I104-F187 HydrophobicContact CG1-CD1 4.43Å; I104-F187 HydrophobicContact CG1-CD2 4.24Å; I104-F187 HydrophobicContact CG1-CG 4.08Å; I104-L188 HydrophobicContact CG2-CD2 4.43Å
105L84.6Confident82.5Confident0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-62.8-49.1-179.6-69.2171.1000111.5Y101 G107 M108 R109 W137 L146 F151 Y154 L158Y101-L105 PolarHBondContact O-N 3.01Å; L105-G107 VanDerWaalsContact C-N 3.25Å; L105-G107 PolarHBondContact O-N 3.09Å; L105-M108 PolarHBondContact O-N 3.5Å; L105-R109 WeakPolarHBondContact O-CG 3.34Å; L105-R109 PolarHBondContact O-N 3.33Å; L105-W137 HydrophobicContact CB-CD2 4Å; L105-W137 HydrophobicContact CB-CE3 3.98Å; L105-W137 HydrophobicContact CB-CH2 4.43Å; L105-W137 HydrophobicContact CB-CZ2 4.44Å; L105-W137 HydrophobicContact CB-CZ3 4.22Å; L105-W137 HydrophobicContact CD1-CD2 3.97Å; L105-W137 HydrophobicContact CD1-CG 4.09Å; L105-W137 HydrophobicContact CD1-CZ2 4.15Å; L105-L146 HydrophobicContact CD1-CD1 4.03Å; L105-F151 HydrophobicContact CD1-CD2 4.19Å; L105-F151 HydrophobicContact CD1-CE2 4.5Å; L105-F151 HydrophobicContact CD2-CE2 4.49Å; L105-F151 HydrophobicContact CG-CD2 4.33Å; L105-F151 HydrophobicContact CG-CE2 4.15Å; L105-Y154 HydrophobicContact CD1-CD2 4.47Å; L105-Y154 HydrophobicContact CD2-CD1 3.98Å; L105-Y154 HydrophobicContact CD2-CD2 4.15Å; L105-Y154 HydrophobicContact CD2-CG 3.67Å; L105-L158 HydrophobicContact CD2-CD1 4.16Å; L105-L158 HydrophobicContact CD2-CD2 4.41Å
106K84.7Confident83.4Confident82 Ų8227.5 Ų27.536%0.35713%0.134SC..Hα-helixtrans-57.7-41.7173-73.6179.5179.71740111.6E102 R109 V110 W137 L180E102-K106 VanDerWaalsContact CD-NZ 3.27Å; E102-K106 HydrophobicContact CG-CD 4.12Å; E102-K106 VanDerWaalsContact O-CB 3.26Å; E102-K106 WeakPolarHBondContact O-CB 3.49Å; E102-K106 VanDerWaalsContact O-CG 3.27Å; E102-K106 WeakPolarHBondContact O-CG 3.3Å; E102-K106 PolarHBondContact O-N 3.23Å; E102-K106 WeakPolarHBondContact OE1-CE 3.22Å; E102-K106 IonicContact OE1-NZ 2.68Å; E102-K106 PolarHBondContact OE1-NZ 2.76Å; E102-K106 IonicContact OE2-NZ 3.14Å; K106-R109 PolarHBondContact O-N 3.32Å; K106-V110 WeakPolarHBondContact O-CG2 3.44Å; K106-V110 PolarHBondContact O-N 2.81Å; K106-V110 VanDerWaalsContact O-N 3.1Å; K106-W137 HydrophobicContact CG-CH2 3.92Å; K106-W137 HydrophobicContact CG-CZ3 3.61Å; K106-L180 HydrophobicContact CB-CD1 4.16Å
107G84.8Confident84.3Confident0 Ų033.9 Ų33.90%016%0.162CC..Hα-helixtrans-58.9-49.1177.900000112.8N103 I104 L105 V110 L111 L179N103-G107 WeakPolarHBondContact O-CA 3.15Å; N103-G107 PolarHBondContact O-N 2.88Å; I104-G107 WeakPolarHBondContact O-CA 3.48Å; I104-G107 PolarHBondContact O-N 2.88Å; I104-G107 VanDerWaalsContact O-N 3.16Å; L105-G107 VanDerWaalsContact C-N 3.25Å; L105-G107 PolarHBondContact O-N 3.09Å; G107-V110 PolarHBondContact O-N 3.12Å; G107-L111 PolarHBondContact O-N 3.17Å; G107-L179 WeakPolarHBondContact O-CD1 3.26Å
108M88.4Confident85Confident1 Ų134.1 Ų34.11%0.00517%0.166CC..Hα-helixtrans-68.9-40179.2-170.56379.400111.9I104 L105 V110 L111 V112 V134 L158 L161 W162 I167 L188I104-M108 PolarHBondContact O-N 3.16Å; L105-M108 PolarHBondContact O-N 3.5Å; M108-V110 VanDerWaalsContact C-N 3.26Å; M108-V110 PolarHBondContact O-N 3.21Å; M108-L111 WeakPolarHBondContact O-CA 3.33Å; M108-L111 WeakPolarHBondContact O-CB 3.27Å; M108-L111 PolarHBondContact O-N 3.21Å; M108-L111 HydrophobicContact SD-CB 4.26Å; M108-L111 HydrophobicContact SD-CD1 4.1Å; M108-V112 HydrophobicContact CG-CG2 4.34Å; M108-V112 WeakPolarHBondContact O-CG2 3.45Å; M108-V112 PolarHBondContact O-N 3.09Å; M108-V134 HydrophobicContact CB-CG1 3.99Å; M108-V134 HydrophobicContact CG-CG1 3.95Å; M108-L158 HydrophobicContact CB-CD2 3.51Å; M108-L158 HydrophobicContact CE-CD2 4.12Å; M108-L158 WeakPolarHBondContact CE-O 3.09Å; M108-L158 HydrophobicContact CG-CD2 3.72Å; M108-L161 HydrophobicContact CE-CB 3.99Å; M108-L161 HydrophobicContact CG-CD1 3.81Å; M108-L161 HydrophobicContact SD-CB 3.95Å; M108-L161 HydrophobicContact SD-CD1 4.29Å; M108-W162 HydrophobicContact CE-CB 4.27Å; M108-W162 HydrophobicContact CE-CE3 4.39Å; M108-I167 HydrophobicContact SD-CG2 4.23Å; M108-L188 HydrophobicContact CE-CD1 3.56Å
109R89.3Confident85.7Confident72 Ų7236.4 Ų36.427%0.27219%0.193SC..Hα-helixtrans-54.4-44173.4-74.7-177.669.9-170.84.8112.2L105 K106 L111 V112 D113 V134 M135 W137L105-R109 WeakPolarHBondContact O-CG 3.34Å; L105-R109 PolarHBondContact O-N 3.33Å; K106-R109 PolarHBondContact O-N 3.32Å; R109-L111 VanDerWaalsContact C-N 3.3Å; R109-L111 PolarHBondContact O-N 3.4Å; R109-V112 PolarHBondContact O-N 3.41Å; R109-D113 WeakPolarHBondContact O-CB 3.42Å; R109-D113 PolarHBondContact O-N 3.07Å; R109-V134 VanDerWaalsContact CD-O 3.28Å; R109-V134 WeakPolarHBondContact CD-O 3.31Å; R109-V134 HydrophobicContact CG-CG1 3.64Å; R109-V134 WeakPolarHBondContact CG-O 3.49Å; R109-M135 HydrophobicContact CB-SD 3.98Å; R109-M135 HydrophobicContact CG-SD 4.05Å; R109-M135 PolarHBondContact NH2-O 3.3Å; R109-W137 PolarHBondContact NH1-O 3.11Å
110V88.1Confident86.5Confident47 Ų4736.1 Ų36.129%0.28519%0.191SC..Hα-helixtrans-63.5-36176171.60000111.7K106 G107 M108 A114 F177 L179K106-V110 WeakPolarHBondContact O-CG2 3.44Å; K106-V110 PolarHBondContact O-N 2.81Å; K106-V110 VanDerWaalsContact O-N 3.1Å; G107-V110 PolarHBondContact O-N 3.12Å; M108-V110 VanDerWaalsContact C-N 3.26Å; M108-V110 PolarHBondContact O-N 3.21Å; V110-A114 WeakPolarHBondContact O-CB 3.44Å; V110-A114 PolarHBondContact O-N 2.93Å; V110-F177 HydrophobicContact CG1-CD2 3.66Å; V110-F177 HydrophobicContact CG1-CE2 4.02Å; V110-L179 HydrophobicContact CB-CD1 3.93Å; V110-L179 HydrophobicContact CG1-CD1 3.78Å
111L89.3Confident87.3Confident0 Ų041.6 Ų41.60%023%0.225CC..Hα-helixtrans-68.9-43.3176.5-76.4170.4000112.4G107 M108 R109 A114 R115 W162 I167 Y171 F177 L179 I184G107-L111 PolarHBondContact O-N 3.17Å; M108-L111 WeakPolarHBondContact O-CA 3.33Å; M108-L111 WeakPolarHBondContact O-CB 3.27Å; M108-L111 PolarHBondContact O-N 3.21Å; M108-L111 HydrophobicContact SD-CB 4.26Å; M108-L111 HydrophobicContact SD-CD1 4.1Å; R109-L111 VanDerWaalsContact C-N 3.3Å; R109-L111 PolarHBondContact O-N 3.4Å; L111-A114 PolarHBondContact O-N 3Å; L111-R115 WeakPolarHBondContact O-CB 3.4Å; L111-R115 PolarHBondContact O-N 3.01Å; L111-W162 HydrophobicContact CD1-CE3 4.46Å; L111-W162 HydrophobicContact CD1-CZ3 4.01Å; L111-I167 HydrophobicContact CB-CG2 4.34Å; L111-I167 HydrophobicContact CD1-CG2 4.2Å; L111-Y171 HydrophobicContact CD1-CD2 4.28Å; L111-Y171 HydrophobicContact CD2-CD2 4.16Å; L111-F177 HydrophobicContact CD2-CE2 4Å; L111-F177 HydrophobicContact CD2-CZ 3.91Å; L111-L179 HydrophobicContact CD1-CD2 4.32Å; L111-L179 HydrophobicContact CD2-CD1 4.24Å; L111-L179 HydrophobicContact CD2-CD2 3.7Å; L111-L179 HydrophobicContact CG-CD1 3.85Å; L111-L179 HydrophobicContact CG-CD2 4.03Å; L111-I184 HydrophobicContact CD1-CG2 4.18Å
112V91.4Very high88Confident13 Ų1343.7 Ų43.78%0.07923%0.233CC..Hα-helixtrans-62-48.7177.2175.90000110.4M108 R109 R115 D116 W122 M135 L161 I167M108-V112 HydrophobicContact CG-CG2 4.34Å; M108-V112 WeakPolarHBondContact O-CG2 3.45Å; M108-V112 PolarHBondContact O-N 3.09Å; R109-V112 PolarHBondContact O-N 3.41Å; V112-R115 PolarHBondContact O-N 2.87Å; V112-D116 PolarHBondContact O-N 2.76Å; V112-W122 HydrophobicContact CG1-CH2 4.32Å; V112-W122 HydrophobicContact CG1-CZ2 4.29Å; V112-W122 HydrophobicContact CG2-CH2 4.37Å; V112-M135 HydrophobicContact CB-CG 4.46Å; V112-M135 HydrophobicContact CB-SD 4.48Å; V112-M135 HydrophobicContact CG1-CG 3.94Å; V112-M135 HydrophobicContact CG1-SD 4.44Å; V112-L161 HydrophobicContact CG2-CD1 4.18Å; V112-I167 HydrophobicContact CG2-CD1 4.17Å
113D90.5Very high88.6Confident56 Ų5647.6 Ų47.630%0.29925%0.251SS..Hα-helixtrans-63.5-41.7176.4174.869.7000112.6R109 D116 K117 M135R109-D113 WeakPolarHBondContact O-CB 3.42Å; R109-D113 PolarHBondContact O-N 3.07Å; D113-D116 PolarHBondContact O-N 2.95Å; D113-K117 WeakPolarHBondContact O-CG 3.26Å; D113-K117 PolarHBondContact O-N 3.1Å; D113-K117 VanDerWaalsContact O-N 3.08Å; D113-K117 VanDerWaalsContact OD1-CE 3.24Å; D113-K117 WeakPolarHBondContact OD1-CE 3.42Å; D113-K117 IonicContact OD1-NZ 3.33Å; D113-K117 PolarHBondContact OD1-NZ 2.88Å; D113-K117 IonicContact OD2-NZ 3.86Å; D113-K117 PolarHBondContact OD2-NZ 3.41Å; D113-M135 HydrophobicContact CB-CE 4.23Å
114A87.6Confident89Confident4 Ų448.9 Ų48.93%0.03326%0.261CS..Hα-helixtrans-65.6-41.1178.200000111.9V110 L111 D116 K117 L118 F177V110-A114 WeakPolarHBondContact O-CB 3.44Å; V110-A114 PolarHBondContact O-N 2.93Å; L111-A114 PolarHBondContact O-N 3Å; A114-D116 VanDerWaalsContact C-N 3.31Å; A114-D116 PolarHBondContact O-N 2.85Å; A114-K117 PolarHBondContact O-N 2.77Å; A114-L118 VanDerWaalsContact O-CB 3.32Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 WeakPolarHBondContact O-CG 3.43Å; A114-L118 PolarHBondContact O-N 3.4Å; A114-F177 HydrophobicContact CB-CD1 3.53Å; A114-F177 HydrophobicContact CB-CD2 3.74Å; A114-F177 HydrophobicContact CB-CE1 3.43Å; A114-F177 VanDerWaalsContact CB-CE1 3.43Å; A114-F177 HydrophobicContact CB-CE2 3.63Å; A114-F177 HydrophobicContact CB-CG 3.68Å; A114-F177 HydrophobicContact CB-CZ 3.46Å; A114-F177 VanDerWaalsContact CB-CZ 3.46Å
115R93.3Very high89.2Confident5 Ų553.6 Ų53.62%0.01929%0.293CS..Hα-helixtrans-55.4-49174.9161.6-102.3-94.2-57.7-35.5111.3L111 V112 K117 L118 G119 I120 T121 W122 D164 I167 A170L111-R115 WeakPolarHBondContact O-CB 3.4Å; L111-R115 PolarHBondContact O-N 3.01Å; V112-R115 PolarHBondContact O-N 2.87Å; R115-K117 PolarHBondContact O-N 3.37Å; R115-L118 CarbonylContact O-C 3.56Å; R115-L118 PolarHBondContact O-N 3.44Å; R115-G119 PolarHBondContact O-N 3.3Å; R115-G119 VanDerWaalsContact O-N 3.09Å; R115-I120 VanDerWaalsContact CD-O 3.28Å; R115-I120 WeakPolarHBondContact CD-O 3.39Å; R115-I120 HydrophobicContact CG-CB 3.84Å; R115-I120 HydrophobicContact CG-CG2 4.37Å; R115-I120 WeakPolarHBondContact CG-O 3.49Å; R115-I120 PolarHBondContact NH1-O 2.77Å; R115-I120 PolarHBondContact O-N 3.2Å; R115-T121 PolarHBondContact NH1-O 2.97Å; R115-W122 VanDerWaalsContact NH1-CG 3.27Å; R115-D164 IonicContact NH2-OD1 3.73Å; R115-D164 PolarHBondContact NH2-OD1 2.8Å; R115-D164 VanDerWaalsContact NH2-OD1 3.15Å; R115-I167 HydrophobicContact CB-CD1 4.39Å; R115-A170 HydrophobicContact CB-CB 3.93Å
116D91.1Very high89.3Confident123 Ų12360.2 Ų60.266%0.65832%0.324SS*.Hα-helixtrans-60.8-47.3-178.2-171.542.8000110.7V112 D113 A114 L118 G119V112-D116 PolarHBondContact O-N 2.76Å; D113-D116 PolarHBondContact O-N 2.95Å; A114-D116 VanDerWaalsContact C-N 3.31Å; A114-D116 PolarHBondContact O-N 2.85Å; D116-L118 VanDerWaalsContact C-N 3.26Å; D116-L118 PolarHBondContact O-N 2.87Å; D116-G119 PolarHBondContact O-N 2.77Å
117K89.6Confident89.6Confident149 Ų14957.1 Ų57.165%0.64831%0.311SS*.Hα-helixtrans-63.5-27.4176.1-73.4172.6179.11590114.7D113 A114 R115 G119D113-K117 WeakPolarHBondContact O-CG 3.26Å; D113-K117 PolarHBondContact O-N 3.1Å; D113-K117 VanDerWaalsContact O-N 3.08Å; D113-K117 VanDerWaalsContact OD1-CE 3.24Å; D113-K117 WeakPolarHBondContact OD1-CE 3.42Å; D113-K117 IonicContact OD1-NZ 3.33Å; D113-K117 PolarHBondContact OD1-NZ 2.88Å; D113-K117 IonicContact OD2-NZ 3.86Å; D113-K117 PolarHBondContact OD2-NZ 3.41Å; A114-K117 PolarHBondContact O-N 2.77Å; R115-K117 PolarHBondContact O-N 3.37Å; K117-G119 VanDerWaalsContact C-N 3.33Å
118L88.2Confident89.9Confident45 Ų4562.2 Ų62.224%0.23634%0.335CS..THydrogen-bonded Turntrans-89.6-1.8177.2-65.8-179.3000112.7A114 R115 D116 I120 R173 E176 F177A114-L118 VanDerWaalsContact O-CB 3.32Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 WeakPolarHBondContact O-CG 3.43Å; A114-L118 PolarHBondContact O-N 3.4Å; R115-L118 CarbonylContact O-C 3.56Å; R115-L118 PolarHBondContact O-N 3.44Å; D116-L118 VanDerWaalsContact C-N 3.26Å; D116-L118 PolarHBondContact O-N 2.87Å; L118-I120 VanDerWaalsContact C-N 3.29Å; L118-I120 HydrophobicContact CB-CD1 3.86Å; L118-I120 HydrophobicContact CB-CG1 3.97Å; L118-I120 HydrophobicContact CD1-CD1 4.12Å; L118-I120 PolarHBondContact O-N 3.18Å; L118-R173 HydrophobicContact CD1-CB 4.08Å; L118-E176 WeakPolarHBondContact CD2-OE2 3.47Å; L118-F177 HydrophobicContact CD1-CD1 4.39Å; L118-F177 HydrophobicContact CD1-CE1 4.1Å
119G90.2Very high90Very high64 Ų6469.4 Ų69.466%0.6637%0.366SS*.THydrogen-bonded Turntrans6825.2-179.300000113.9R115 D116 K117R115-G119 PolarHBondContact O-N 3.3Å; R115-G119 VanDerWaalsContact O-N 3.09Å; D116-G119 PolarHBondContact O-N 2.77Å; K117-G119 VanDerWaalsContact C-N 3.33Å
120I92.3Very high90.1Very high15 Ų1569 Ų698%0.07737%0.367CS..PPolyproline II helixtrans-84.5124-178.2-56.8165.1000109.2R115 L118 E169 A170R115-I120 VanDerWaalsContact CD-O 3.28Å; R115-I120 WeakPolarHBondContact CD-O 3.39Å; R115-I120 HydrophobicContact CG-CB 3.84Å; R115-I120 HydrophobicContact CG-CG2 4.37Å; R115-I120 WeakPolarHBondContact CG-O 3.49Å; R115-I120 PolarHBondContact NH1-O 2.77Å; R115-I120 PolarHBondContact O-N 3.2Å; L118-I120 VanDerWaalsContact C-N 3.29Å; L118-I120 HydrophobicContact CB-CD1 3.86Å; L118-I120 HydrophobicContact CB-CG1 3.97Å; L118-I120 HydrophobicContact CD1-CD1 4.12Å; L118-I120 PolarHBondContact O-N 3.18Å; I120-E169 HydrophobicContact CD1-CB 4.38Å; I120-E169 HydrophobicContact CD1-CG 4.07Å; I120-E169 HydrophobicContact CG2-CB 4.27Å; I120-A170 HydrophobicContact CD1-CB 4.03Å
121T92.1Very high90.2Very high117 Ų11766.8 Ų66.872%0.71835%0.354SS*.PPolyproline II helixtrans-74.7156.4-178.353.40000112.3R115R115-T121 PolarHBondContact NH1-O 2.97Å
122W93.1Very high90.3Very high57 Ų5772.4 Ų72.422%0.21638%0.382CS..PPolyproline II helixtrans-70.7146.7173.5-67.596.3000109.2V112 R115 S124 N127 L161 I167V112-W122 HydrophobicContact CG1-CH2 4.32Å; V112-W122 HydrophobicContact CG1-CZ2 4.29Å; V112-W122 HydrophobicContact CG2-CH2 4.37Å; R115-W122 VanDerWaalsContact NH1-CG 3.27Å; W122-S124 WeakPolarHBondContact CB-O 3.38Å; W122-N127 HydrophobicContact CD2-CB 4.07Å; W122-N127 HydrophobicContact CE3-CB 3.19Å; W122-N127 HydrophobicContact CZ3-CB 3.55Å; W122-L161 HydrophobicContact CE3-CD2 4.43Å; W122-L161 HydrophobicContact CH2-CD2 3.44Å; W122-L161 VanDerWaalsContact CH2-CD2 3.44Å; W122-L161 HydrophobicContact CZ3-CD2 3.24Å; W122-I167 HydrophobicContact CH2-CD1 4.11Å; W122-I167 HydrophobicContact CH2-CG1 4.46Å; W122-I167 HydrophobicContact CZ3-CD1 4.11Å; W122-I167 HydrophobicContact CZ3-CG1 3.97Å
123Q91.4Very high90.3Very high136 Ų13675 Ų7564%0.63640%0.395SS*.SBendtrans-75.1-44.1168.5-174.7-175.54.500110D164 A165Q123-D164 WeakPolarHBondContact CB-OD2 3.31Å; Q123-D164 PolarHBondContact N-OD2 3.19Å; Q123-A165 HydrophobicContact CB-CB 4.09Å; Q123-A165 HydrophobicContact CG-CB 4.25Å; Q123-A165 VanDerWaalsContact OE1-CB 3.31Å
124S88Confident90.2Very high39 Ų3972.4 Ų72.427%0.27338%0.381SS..SBendtrans-114.1128.4172.4177.50000110.2W122 E126 N127 D164W122-S124 WeakPolarHBondContact CB-O 3.38Å; S124-E126 PolarHBondContact O-N 2.9Å; S124-E126 PolarHBondContact OG-N 3.49Å; S124-N127 WeakPolarHBondContact O-CB 3.44Å; S124-N127 PolarHBondContact O-N 3Å; S124-N127 VanDerWaalsContact O-N 3.08Å; S124-D164 PolarHBondContact N-OD2 2.9Å
125C85.1Confident90.3Very high101 Ų10175.5 Ų75.568%0.68240%0.396SS*.THydrogen-bonded Turntrans-62.4-22.7176.158.70000112.8N127 E128C125-N127 PolarHBondContact O-N 3.43Å; C125-E128 VanDerWaalsContact O-CB 3.28Å; C125-E128 WeakPolarHBondContact O-CB 3.5Å; C125-E128 PolarHBondContact O-N 3.32Å
126E86.7Confident90Very high138 Ų13878.8 Ų78.865%0.64542%0.42SS*.Hα-helixtrans-66.2-27.1175.8-63.1172.9170.900112.4S124 E128 K129S124-E126 PolarHBondContact O-N 2.9Å; S124-E126 PolarHBondContact OG-N 3.49Å; E126-E128 PolarHBondContact O-N 2.85Å; E126-K129 PolarHBondContact O-N 2.78Å
127N90.5Very high89.8Confident18 Ų1873.7 Ų73.710%0.09639%0.391CS..Hα-helixtrans-70.5-15.8178.2-73.4-28.5000112.7W122 S124 C125 K129 Q130 G131 L161 D164W122-N127 HydrophobicContact CD2-CB 4.07Å; W122-N127 HydrophobicContact CE3-CB 3.19Å; W122-N127 HydrophobicContact CZ3-CB 3.55Å; S124-N127 WeakPolarHBondContact O-CB 3.44Å; S124-N127 PolarHBondContact O-N 3Å; S124-N127 VanDerWaalsContact O-N 3.08Å; C125-N127 PolarHBondContact O-N 3.43Å; N127-K129 VanDerWaalsContact C-N 3.32Å; N127-K129 PolarHBondContact O-N 3.43Å; N127-Q130 PolarHBondContact O-N 3.49Å; N127-G131 PolarHBondContact O-N 3.38Å; N127-L161 HydrophobicContact CB-CD2 4.26Å; N127-D164 WeakPolarHBondContact ND2-CB 3.46Å; N127-D164 PolarHBondContact ND2-OD2 3.32Å
128E91.1Very high89Confident106 Ų10674.5 Ų74.550%0.49540%0.397SS..Hα-helixtrans-61.1-42.5171.3-172.4171.2-16500111.2C125 E126 Q130 G131 M132C125-E128 VanDerWaalsContact O-CB 3.28Å; C125-E128 WeakPolarHBondContact O-CB 3.5Å; C125-E128 PolarHBondContact O-N 3.32Å; E126-E128 PolarHBondContact O-N 2.85Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-Q130 PolarHBondContact O-N 3.22Å; E128-G131 PolarHBondContact O-N 3.37Å; E128-M132 HydrophobicContact CG-CE 4.48Å; E128-M132 WeakPolarHBondContact O-CG 3.33Å; E128-M132 PolarHBondContact O-N 3.27Å
129K92.1Very high87.9Confident153 Ų15373.8 Ų73.867%0.66540%0.401SS*.Hα-helixtrans-63.9-40.2175.1-63.1177.6-177.6173.10111.6E126 N127 G131 M132 L133E126-K129 PolarHBondContact O-N 2.78Å; N127-K129 VanDerWaalsContact C-N 3.32Å; N127-K129 PolarHBondContact O-N 3.43Å; K129-G131 VanDerWaalsContact C-N 3.34Å; K129-M132 HydrophobicContact CG-CE 4.34Å; K129-M132 PolarHBondContact O-N 3.09Å; K129-L133 PolarHBondContact O-N 3.07Å
130Q91.2Very high86.8Confident62 Ų6276.1 Ų76.129%0.2939%0.39SS..Hα-helixtrans-66.1-38.9176.3-54.8-57-26.800111.4N127 E128 L133 V134 A157 A160 L161N127-Q130 PolarHBondContact O-N 3.49Å; E128-Q130 VanDerWaalsContact C-N 3.34Å; E128-Q130 PolarHBondContact O-N 3.22Å; Q130-L133 PolarHBondContact O-N 3.1Å; Q130-V134 PolarHBondContact O-N 3.22Å; Q130-A157 HydrophobicContact CB-CB 4.17Å; Q130-A160 HydrophobicContact CG-CB 4.45Å; Q130-L161 HydrophobicContact CB-CD1 4.39Å; Q130-L161 HydrophobicContact CB-CD2 3.99Å; Q130-L161 HydrophobicContact CB-CG 3.96Å
131G90.1Very high84.6Confident2 Ų282.8 Ų82.82%0.02143%0.431CS..Hα-helixtrans-61.9-46.1174.600000111.7N127 E128 K129 L133 V134 M135N127-G131 PolarHBondContact O-N 3.38Å; E128-G131 PolarHBondContact O-N 3.37Å; K129-G131 VanDerWaalsContact C-N 3.34Å; G131-L133 PolarHBondContact O-N 2.86Å; G131-V134 PolarHBondContact O-N 3.31Å; G131-M135 WeakPolarHBondContact O-CB 3.29Å; G131-M135 VanDerWaalsContact O-CG 3.25Å; G131-M135 WeakPolarHBondContact O-CG 3.23Å; G131-M135 PolarHBondContact O-N 3.38Å
132M90.9Very high82.6Confident117 Ų11780 Ų8058%0.57643%0.426SS*.Hα-helixtrans-60.9-42.4175-72.8-168.9-74.600112.4E128 K129 V134 M135 S136E128-M132 HydrophobicContact CG-CE 4.48Å; E128-M132 WeakPolarHBondContact O-CG 3.33Å; E128-M132 PolarHBondContact O-N 3.27Å; K129-M132 HydrophobicContact CG-CE 4.34Å; K129-M132 PolarHBondContact O-N 3.09Å; M132-V134 VanDerWaalsContact C-N 3.35Å; M132-V134 PolarHBondContact O-N 3.4Å; M132-M135 PolarHBondContact O-N 2.84Å; M132-S136 PolarHBondContact O-N 3.43Å
133L90.8Very high80.5Confident69 Ų6984.4 Ų84.436%0.36146%0.459SS..Hα-helixtrans-60.1-42.8175.8177.563.1000112.1K129 Q130 G131 M135 S136 Y154 A157K129-L133 PolarHBondContact O-N 3.07Å; Q130-L133 PolarHBondContact O-N 3.1Å; G131-L133 PolarHBondContact O-N 2.86Å; L133-M135 VanDerWaalsContact C-N 3.34Å; L133-S136 PolarHBondContact O-OG 2.85Å; L133-Y154 HydrophobicContact CD1-CE1 4.41Å; L133-Y154 HydrophobicContact CG-CD1 4.38Å; L133-Y154 HydrophobicContact CG-CE1 4.34Å; L133-A157 HydrophobicContact CD2-CB 4.01Å
134V89.3Confident78.8Confident0 Ų082.1 Ų82.10%046%0.455CS..Hα-helixtrans-70.4-33.5176.71710000111.5M108 R109 Q130 G131 M132 W137 Y154 A157 L158 L161M108-V134 HydrophobicContact CB-CG1 3.99Å; M108-V134 HydrophobicContact CG-CG1 3.95Å; R109-V134 VanDerWaalsContact CD-O 3.28Å; R109-V134 WeakPolarHBondContact CD-O 3.31Å; R109-V134 HydrophobicContact CG-CG1 3.64Å; R109-V134 WeakPolarHBondContact CG-O 3.49Å; Q130-V134 PolarHBondContact O-N 3.22Å; G131-V134 PolarHBondContact O-N 3.31Å; M132-V134 VanDerWaalsContact C-N 3.35Å; M132-V134 PolarHBondContact O-N 3.4Å; V134-W137 WeakPolarHBondContact O-CB 3.44Å; V134-W137 PolarHBondContact O-N 2.96Å; V134-Y154 HydrophobicContact CG2-CD1 4.49Å; V134-A157 HydrophobicContact CG2-CB 4.16Å; V134-L158 HydrophobicContact CG2-CD2 4.35Å; V134-L161 HydrophobicContact CB-CD1 4.18Å; V134-L161 HydrophobicContact CG2-CD1 3.65Å
135M88.6Confident77.8Confident69 Ų6984.8 Ų84.834%0.3446%0.459SS..Hα-helixtrans-72.1-29.6178.2-73.1-65.5-84.900113.5R109 V112 D113 G131 M132 L133 W137R109-M135 HydrophobicContact CB-SD 3.98Å; R109-M135 HydrophobicContact CG-SD 4.05Å; R109-M135 PolarHBondContact NH2-O 3.3Å; V112-M135 HydrophobicContact CB-CG 4.46Å; V112-M135 HydrophobicContact CB-SD 4.48Å; V112-M135 HydrophobicContact CG1-CG 3.94Å; V112-M135 HydrophobicContact CG1-SD 4.44Å; D113-M135 HydrophobicContact CB-CE 4.23Å; G131-M135 WeakPolarHBondContact O-CB 3.29Å; G131-M135 VanDerWaalsContact O-CG 3.25Å; G131-M135 WeakPolarHBondContact O-CG 3.23Å; G131-M135 PolarHBondContact O-N 3.38Å; M132-M135 PolarHBondContact O-N 2.84Å; L133-M135 VanDerWaalsContact C-N 3.34Å; M135-W137 PolarHBondContact O-N 2.91Å
136S88.1Confident77.2Confident75 Ų7580.7 Ų80.752%0.52443%0.43SS..THydrogen-bonded Turntrans-72.8-12.817671.50000113.6M132 L133 E138M132-S136 PolarHBondContact O-N 3.43Å; L133-S136 PolarHBondContact O-OG 2.85Å; S136-E138 PolarHBondContact O-N 3.43Å
137W86.3Confident76.6Confident16 Ų1678.3 Ų78.36%0.06142%0.419CS..  trans-64.2103.6171.5177.678.7000110E102 L105 K106 R109 V134 M135 G139 L146 Y154E102-W137 HydrophobicContact CG-CH2 3.67Å; E102-W137 HydrophobicContact CG-CZ2 4.05Å; L105-W137 HydrophobicContact CB-CD2 4Å; L105-W137 HydrophobicContact CB-CE3 3.98Å; L105-W137 HydrophobicContact CB-CH2 4.43Å; L105-W137 HydrophobicContact CB-CZ2 4.44Å; L105-W137 HydrophobicContact CB-CZ3 4.22Å; L105-W137 HydrophobicContact CD1-CD2 3.97Å; L105-W137 HydrophobicContact CD1-CG 4.09Å; L105-W137 HydrophobicContact CD1-CZ2 4.15Å; K106-W137 HydrophobicContact CG-CH2 3.92Å; K106-W137 HydrophobicContact CG-CZ3 3.61Å; R109-W137 PolarHBondContact NH1-O 3.11Å; V134-W137 WeakPolarHBondContact O-CB 3.44Å; V134-W137 PolarHBondContact O-N 2.96Å; M135-W137 PolarHBondContact O-N 2.91Å; W137-G139 VanDerWaalsContact CH2-CA 3.49Å; W137-L146 HydrophobicContact CZ2-CD1 4.15Å; W137-Y154 HydrophobicContact CB-CE1 4Å; W137-Y154 AromaticContact CD1-CZ 3.88Å
138E72.8Confident75.9Confident165 Ų16579.6 Ų79.677%0.77143%0.428SS*.PPolyproline II helixtrans-82118.5171.7-68.5-177.9166.300109.3S136 R140S136-E138 PolarHBondContact O-N 3.43Å; E138-R140 PolarHBondContact O-N 3.49Å
139G65.9Low75.1Confident31 Ų3178.6 Ų78.632%0.3243%0.433SS..PPolyproline II helixtrans-61.5126.8178.200000110W137 V141W137-G139 VanDerWaalsContact CH2-CA 3.49Å; G139-V141 PolarHBondContact O-N 2.91Å
140R65.4Low74.6Confident112 Ų11274.4 Ų74.442%0.42342%0.416SS..PPolyproline II helixtrans-71.3122.8179.5-58.9-169.8-161.3-13710.2109.9E138 G142 E150E138-R140 PolarHBondContact O-N 3.49Å; R140-G142 PolarHBondContact O-N 3.46Å; R140-E150 IonicContact CZ-OE1 3.5Å; R140-E150 IonicContact CZ-OE2 2.78Å; R140-E150 IonicContact NH2-OE1 2.68Å; R140-E150 PolarHBondContact NH2-OE1 2.9Å; R140-E150 IonicContact NH2-OE2 2.71Å; R140-E150 PolarHBondContact NH2-OE2 3.35Å
141V46.3Very low74.2Confident156 Ų15671.5 Ų71.595%0.94540%0.402SS*.  trans-88.698170.2178.60000107.9G139G139-V141 PolarHBondContact O-N 2.91Å
142G51Low73.7Confident59 Ų5976.6 Ų76.661%0.60843%0.425SS*.SBendtrans143.7-167.3177.100000115.4R140 T144R140-G142 PolarHBondContact O-N 3.46Å; G142-T144 VanDerWaalsContact C-N 3.27Å; G142-T144 PolarHBondContact O-N 3.36Å
143T48.2Very low73.4Confident149 Ų14977.2 Ų77.291%0.91443%0.43SS*.SBendtrans-77.14.7-171.8-20000115.4R145T143-R145 PolarHBondContact O-N 3.46Å
144T57Low73.2Confident87 Ų8775.7 Ų75.753%0.53442%0.42SS..  trans-81.7115-175.7-280000110.1G142G142-T144 VanDerWaalsContact C-N 3.27Å; G142-T144 PolarHBondContact O-N 3.36Å
145R65.8Low72.9Confident96 Ų9676.8 Ų76.836%0.36243%0.427SS..  trans-66.7143.2179.2-66.9-175.2165.9166.3-8.6110.7D95 D98 T143 E147D95-R145 IonicContact OD1-CZ 3.55Å; D95-R145 IonicContact OD1-NE 2.7Å; D95-R145 IonicContact OD1-NH2 3.81Å; D95-R145 PolarHBondContact OD1-NH2 3.5Å; D98-R145 VanDerWaalsContact OD2-CB 3.3Å; D98-R145 WeakPolarHBondContact OD2-CB 3.39Å; D98-R145 WeakPolarHBondContact OD2-CD 3.4Å; D98-R145 WeakPolarHBondContact OD2-CG 3.18Å; D98-R145 IonicContact OD2-NE 2.57Å; T143-R145 PolarHBondContact O-N 3.46Å; R145-E147 PolarHBondContact O-N 2.86Å
146L72.2Confident72.6Confident15 Ų1581 Ų818%0.07945%0.447CS..  trans-86.5106.2173.6-164.2141000108.3Y101 L105 W137 F151Y101-L146 HydrophobicContact CD2-CD2 3.62Å; Y101-L146 HydrophobicContact CG-CD2 4.07Å; L105-L146 HydrophobicContact CD1-CD1 4.03Å; W137-L146 HydrophobicContact CZ2-CD1 4.15Å; L146-F151 HydrophobicContact CD2-CB 3.65Å; L146-F151 HydrophobicContact CD2-CD2 4.25Å; L146-F151 HydrophobicContact CD2-CG 4.4Å
147E74.8Confident72.6Confident87 Ų8777.4 Ų77.441%0.40742%0.423SS..  trans-70.3148.9-175.7-71.8-59.2150.500111.4R145 S149 E150 F151R145-E147 PolarHBondContact O-N 2.86Å; E147-S149 PolarHBondContact O-N 3.44Å; E147-E150 HydrophobicContact CB-CG 4.36Å; E147-E150 WeakPolarHBondContact O-CB 3.28Å; E147-E150 PolarHBondContact O-N 2.81Å; E147-F151 PolarHBondContact O-N 3.04Å; E147-F151 VanDerWaalsContact O-N 3.15Å
148P75.1Confident72.6Confident46 Ų4676.7 Ų76.730%0.29942%0.42SS..Hα-helixtrans-56.3-35.4179.8-26.435.4000113.9R97 E150 F151 Q152R97-P148 VanDerWaalsContact NH1-CG 3.34Å; P148-E150 VanDerWaalsContact C-N 3.34Å; P148-F151 PolarHBondContact O-N 3.27Å; P148-Q152 WeakPolarHBondContact O-CB 3.29Å; P148-Q152 PolarHBondContact O-N 2.85Å
149S76.1Confident73.2Confident85 Ų8570.4 Ų70.459%0.59439%0.394SS*.Hα-helixtrans-63.5-38.5177.248.20000112.4E147 Q152E147-S149 PolarHBondContact O-N 3.44Å; S149-Q152 WeakPolarHBondContact O-CB 3.44Å; S149-Q152 PolarHBondContact O-N 2.9Å
150E80.6Confident74.2Confident64 Ų6470.2 Ų70.230%0.29939%0.39SS..Hα-helixtrans-68.7-42.8176-61.4-175.9162.400111.1R140 E147 P148 Q152 L153 Y154R140-E150 IonicContact CZ-OE1 3.5Å; R140-E150 IonicContact CZ-OE2 2.78Å; R140-E150 IonicContact NH2-OE1 2.68Å; R140-E150 PolarHBondContact NH2-OE1 2.9Å; R140-E150 IonicContact NH2-OE2 2.71Å; R140-E150 PolarHBondContact NH2-OE2 3.35Å; E147-E150 HydrophobicContact CB-CG 4.36Å; E147-E150 WeakPolarHBondContact O-CB 3.28Å; E147-E150 PolarHBondContact O-N 2.81Å; P148-E150 VanDerWaalsContact C-N 3.34Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 3.37Å; E150-L153 WeakPolarHBondContact O-CB 3.34Å; E150-L153 PolarHBondContact O-N 2.95Å; E150-Y154 VanDerWaalsContact O-CD2 3.23Å; E150-Y154 WeakPolarHBondContact O-CD2 3.4Å; E150-Y154 WeakPolarHBondContact O-CE2 3.38Å
151F82.3Confident75.4Confident1 Ų164.9 Ų64.90%0.00437%0.37CS..Hα-helixtrans-61.9-38.4175.7-173.2-107.1000111.9Y101 I104 L105 L146 E147 P148 L153 Y154 V155 L158 I198Y101-F151 HydrophobicContact CD1-CB 4.38Å; Y101-F151 AromaticContact CD1-CD1 3.64Å; Y101-F151 HydrophobicContact CD1-CD1 3.64Å; Y101-F151 AromaticContact CD1-CD2 3.75Å; Y101-F151 HydrophobicContact CD1-CD2 3.75Å; Y101-F151 AromaticContact CD1-CE1 3.75Å; Y101-F151 HydrophobicContact CD1-CE1 3.75Å; Y101-F151 AromaticContact CD1-CE2 3.85Å; Y101-F151 HydrophobicContact CD1-CE2 3.85Å; Y101-F151 AromaticContact CD1-CG 3.64Å; Y101-F151 HydrophobicContact CD1-CG 3.64Å; Y101-F151 AromaticContact CD1-CZ 3.85Å; Y101-F151 HydrophobicContact CD1-CZ 3.85Å; Y101-F151 HydrophobicContact CD2-CB 3.81Å; Y101-F151 HydrophobicContact CD2-CD2 4.27Å; Y101-F151 AromaticContact CD2-CG 3.95Å; Y101-F151 HydrophobicContact CD2-CG 3.95Å; Y101-F151 AromaticContact CE1-CD1 3.59Å; Y101-F151 HydrophobicContact CE1-CD1 3.59Å; Y101-F151 HydrophobicContact CE1-CD2 4.5Å; Y101-F151 AromaticContact CE1-CE1 3.82Å; Y101-F151 HydrophobicContact CE1-CE1 3.82Å; Y101-F151 AromaticContact CE1-CG 3.96Å; Y101-F151 HydrophobicContact CE1-CG 3.96Å; Y101-F151 HydrophobicContact CE1-CZ 4.38Å; Y101-F151 HydrophobicContact CE2-CB 3.94Å; Y101-F151 HydrophobicContact CE2-CD1 4.44Å; Y101-F151 HydrophobicContact CE2-CG 4.21Å; Y101-F151 HydrophobicContact CG-CB 4.02Å; Y101-F151 HydrophobicContact CG-CD1 4.13Å; Y101-F151 AromaticContact CG-CD2 3.61Å; Y101-F151 HydrophobicContact CG-CD2 3.61Å; Y101-F151 HydrophobicContact CG-CE2 4.07Å; Y101-F151 AromaticContact CG-CG 3.64Å; Y101-F151 HydrophobicContact CG-CG 3.64Å; Y101-F151 AromaticContact CZ-CD1 3.99Å; I104-F151 HydrophobicContact CB-CE2 4.28Å; I104-F151 HydrophobicContact CB-CZ 4.36Å; I104-F151 HydrophobicContact CD1-CE2 4.35Å; I104-F151 HydrophobicContact CD1-CZ 3.8Å; I104-F151 HydrophobicContact CG2-CE2 4.33Å; I104-F151 HydrophobicContact CG2-CZ 4.18Å; L105-F151 HydrophobicContact CD1-CD2 4.19Å; L105-F151 HydrophobicContact CD1-CE2 4.5Å; L105-F151 HydrophobicContact CD2-CE2 4.49Å; L105-F151 HydrophobicContact CG-CD2 4.33Å; L105-F151 HydrophobicContact CG-CE2 4.15Å; L146-F151 HydrophobicContact CD2-CB 3.65Å; L146-F151 HydrophobicContact CD2-CD2 4.25Å; L146-F151 HydrophobicContact CD2-CG 4.4Å; E147-F151 PolarHBondContact O-N 3.04Å; E147-F151 VanDerWaalsContact O-N 3.15Å; P148-F151 PolarHBondContact O-N 3.27Å; F151-L153 PolarHBondContact O-N 3.44Å; F151-Y154 PolarHBondContact O-N 3.35Å; F151-V155 HydrophobicContact CD1-CG2 3.94Å; F151-V155 HydrophobicContact CE1-CG2 3.86Å; F151-V155 PolarHBondContact O-N 2.94Å; F151-L158 HydrophobicContact CE2-CD1 4.02Å; F151-L158 HydrophobicContact CZ-CD1 3.91Å; F151-I198 HydrophobicContact CD1-CD1 4.14Å; F151-I198 HydrophobicContact CE1-CD1 3.9Å
152Q80.6Confident77.4Confident109 Ų10958.2 Ų58.251%0.50933%0.327SS..Hα-helixtrans-56.3-33.9-179.1-171.662.630.100112.7P148 S149 E150 Y154 V155P148-Q152 WeakPolarHBondContact O-CB 3.29Å; P148-Q152 PolarHBondContact O-N 2.85Å; S149-Q152 WeakPolarHBondContact O-CB 3.44Å; S149-Q152 PolarHBondContact O-N 2.9Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 3.37Å; Q152-Y154 PolarHBondContact O-N 3.4Å; Q152-V155 PolarHBondContact O-N 3.45Å; Q152-V155 VanDerWaalsContact O-N 3.17Å
153L84.8Confident79.2Confident130 Ų13060.5 Ų60.568%0.68132%0.324SS*.Hα-helixtrans-60.4-28.6177.1-61.7173.4000112.8E150 F151E150-L153 WeakPolarHBondContact O-CB 3.34Å; E150-L153 PolarHBondContact O-N 2.95Å; F151-L153 PolarHBondContact O-N 3.44Å
154Y85.4Confident81.2Confident37 Ų3753.5 Ų53.515%0.14528%0.28CS..Hα-helixtrans-93-12.7-179.1-60.1-86.3000113L105 L133 V134 W137 E150 F151 Q152 M156 A157 L158L105-Y154 HydrophobicContact CD1-CD2 4.47Å; L105-Y154 HydrophobicContact CD2-CD1 3.98Å; L105-Y154 HydrophobicContact CD2-CD2 4.15Å; L105-Y154 HydrophobicContact CD2-CG 3.67Å; L133-Y154 HydrophobicContact CD1-CE1 4.41Å; L133-Y154 HydrophobicContact CG-CD1 4.38Å; L133-Y154 HydrophobicContact CG-CE1 4.34Å; V134-Y154 HydrophobicContact CG2-CD1 4.49Å; W137-Y154 HydrophobicContact CB-CE1 4Å; W137-Y154 AromaticContact CD1-CZ 3.88Å; E150-Y154 VanDerWaalsContact O-CD2 3.23Å; E150-Y154 WeakPolarHBondContact O-CD2 3.4Å; E150-Y154 WeakPolarHBondContact O-CE2 3.38Å; F151-Y154 PolarHBondContact O-N 3.35Å; Q152-Y154 PolarHBondContact O-N 3.4Å; Y154-M156 PolarHBondContact O-N 3.34Å; Y154-A157 PolarHBondContact O-N 2.89Å; Y154-L158 WeakPolarHBondContact O-CB 3.19Å; Y154-L158 WeakPolarHBondContact O-CG 3.33Å; Y154-L158 PolarHBondContact O-N 2.69Å
155V82.8Confident82.8Confident24 Ų2451.7 Ų51.715%0.14528%0.275CS..Hα-helixtrans-60.2-44.4-172171.50000111.9F151 Q152 L158 S159 L191F151-V155 HydrophobicContact CD1-CG2 3.94Å; F151-V155 HydrophobicContact CE1-CG2 3.86Å; F151-V155 PolarHBondContact O-N 2.94Å; Q152-V155 PolarHBondContact O-N 3.45Å; Q152-V155 VanDerWaalsContact O-N 3.17Å; V155-L158 PolarHBondContact O-N 3.05Å; V155-S159 WeakPolarHBondContact O-CB 2.94Å; V155-S159 PolarHBondContact O-N 3.09Å; V155-L191 HydrophobicContact CG1-CD2 4.31Å
156M83.5Confident84Confident156 Ų15647.3 Ų47.377%0.76826%0.259SS*.Hα-helixtrans-64.1-44.4177.7-69-175.668.200111.7Y154 S159 A160Y154-M156 PolarHBondContact O-N 3.34Å; M156-S159 PolarHBondContact O-N 2.88Å; M156-A160 WeakPolarHBondContact O-CB 3Å; M156-A160 PolarHBondContact O-N 3.16Å
157A87.3Confident84.9Confident1 Ų146.6 Ų46.61%0.00826%0.255CS..Hα-helixtrans-61.3-47.4176.800000111.5Q130 L133 V134 Y154 S159 A160 L161Q130-A157 HydrophobicContact CB-CB 4.17Å; L133-A157 HydrophobicContact CD2-CB 4.01Å; V134-A157 HydrophobicContact CG2-CB 4.16Å; Y154-A157 PolarHBondContact O-N 2.89Å; A157-S159 VanDerWaalsContact C-N 3.31Å; A157-S159 PolarHBondContact O-N 3.39Å; A157-A160 PolarHBondContact O-N 3.09Å; A157-L161 VanDerWaalsContact O-CB 3.27Å; A157-L161 WeakPolarHBondContact O-CB 3.41Å; A157-L161 WeakPolarHBondContact O-CG 3.44Å; A157-L161 PolarHBondContact O-N 3.41Å
158L87.2Confident85.6Confident1 Ų145.4 Ų45.41%0.00525%0.25CC..Hα-helixtrans-59.8-40.7177.8-70.8170.2000111.9I104 L105 M108 V134 F151 Y154 V155 W162 L188I104-L158 HydrophobicContact CG2-CD1 3.76Å; I104-L158 HydrophobicContact CG2-CD2 4.19Å; L105-L158 HydrophobicContact CD2-CD1 4.16Å; L105-L158 HydrophobicContact CD2-CD2 4.41Å; M108-L158 HydrophobicContact CB-CD2 3.51Å; M108-L158 HydrophobicContact CE-CD2 4.12Å; M108-L158 WeakPolarHBondContact CE-O 3.09Å; M108-L158 HydrophobicContact CG-CD2 3.72Å; V134-L158 HydrophobicContact CG2-CD2 4.35Å; F151-L158 HydrophobicContact CE2-CD1 4.02Å; F151-L158 HydrophobicContact CZ-CD1 3.91Å; Y154-L158 WeakPolarHBondContact O-CB 3.19Å; Y154-L158 WeakPolarHBondContact O-CG 3.33Å; Y154-L158 PolarHBondContact O-N 2.69Å; V155-L158 PolarHBondContact O-N 3.05Å; L158-W162 WeakPolarHBondContact O-CB 3.35Å; L158-W162 PolarHBondContact O-N 3.46Å; L158-L188 HydrophobicContact CB-CD2 4.29Å
159S84.7Confident86.2Confident33 Ų3347.7 Ų47.723%0.23126%0.256CS..Hα-helixtrans-66.8-50177.4-1710000111.7V155 M156 A157 L161 W162 M163V155-S159 WeakPolarHBondContact O-CB 2.94Å; V155-S159 PolarHBondContact O-N 3.09Å; M156-S159 PolarHBondContact O-N 2.88Å; A157-S159 VanDerWaalsContact C-N 3.31Å; A157-S159 PolarHBondContact O-N 3.39Å; S159-L161 PolarHBondContact O-N 3.2Å; S159-W162 PolarHBondContact O-N 3.06Å; S159-W162 VanDerWaalsContact O-N 3.15Å; S159-M163 PolarHBondContact O-N 3.18Å; S159-M163 VanDerWaalsContact O-N 3.07Å
160A87.5Confident86.8Confident27 Ų2743.7 Ų43.722%0.22323%0.228CC..Hα-helixtrans-60-44.8178.300000112.1Q130 M156 A157 W162 M163 D164Q130-A160 HydrophobicContact CG-CB 4.45Å; M156-A160 WeakPolarHBondContact O-CB 3Å; M156-A160 PolarHBondContact O-N 3.16Å; A157-A160 PolarHBondContact O-N 3.09Å; A160-W162 VanDerWaalsContact C-N 3.35Å; A160-W162 PolarHBondContact O-N 3.25Å; A160-M163 PolarHBondContact O-N 3.49Å; A160-D164 PolarHBondContact O-N 3.17Å
161L90Very high87Confident0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-62.9-39.1175.5-70.3174.3000112.1M108 V112 W122 N127 Q130 V134 A157 S159 M163 D164 I167M108-L161 HydrophobicContact CE-CB 3.99Å; M108-L161 HydrophobicContact CG-CD1 3.81Å; M108-L161 HydrophobicContact SD-CB 3.95Å; M108-L161 HydrophobicContact SD-CD1 4.29Å; V112-L161 HydrophobicContact CG2-CD1 4.18Å; W122-L161 HydrophobicContact CE3-CD2 4.43Å; W122-L161 HydrophobicContact CH2-CD2 3.44Å; W122-L161 VanDerWaalsContact CH2-CD2 3.44Å; W122-L161 HydrophobicContact CZ3-CD2 3.24Å; N127-L161 HydrophobicContact CB-CD2 4.26Å; Q130-L161 HydrophobicContact CB-CD1 4.39Å; Q130-L161 HydrophobicContact CB-CD2 3.99Å; Q130-L161 HydrophobicContact CB-CG 3.96Å; V134-L161 HydrophobicContact CB-CD1 4.18Å; V134-L161 HydrophobicContact CG2-CD1 3.65Å; A157-L161 VanDerWaalsContact O-CB 3.27Å; A157-L161 WeakPolarHBondContact O-CB 3.41Å; A157-L161 WeakPolarHBondContact O-CG 3.44Å; A157-L161 PolarHBondContact O-N 3.41Å; S159-L161 PolarHBondContact O-N 3.2Å; L161-M163 VanDerWaalsContact C-N 3.31Å; L161-M163 PolarHBondContact O-N 2.77Å; L161-D164 WeakPolarHBondContact O-CB 3.4Å; L161-D164 PolarHBondContact O-N 2.9Å; L161-I167 WeakPolarHBondContact O-CB 3.37Å; L161-I167 VanDerWaalsContact O-CG1 3.3Å; L161-I167 WeakPolarHBondContact O-CG1 3.38Å; L161-I167 WeakPolarHBondContact O-CG2 3.35Å
162W89.3Confident86.9Confident16 Ų1646 Ų466%0.06125%0.245CC..Hα-helixtrans-68-31.8178.4-170.2-116.5000112.4M108 L111 L158 S159 A160 D164 I167 Q168 Y171 I184 K185 L188 N189M108-W162 HydrophobicContact CE-CB 4.27Å; M108-W162 HydrophobicContact CE-CE3 4.39Å; L111-W162 HydrophobicContact CD1-CE3 4.46Å; L111-W162 HydrophobicContact CD1-CZ3 4.01Å; L158-W162 WeakPolarHBondContact O-CB 3.35Å; L158-W162 PolarHBondContact O-N 3.46Å; S159-W162 PolarHBondContact O-N 3.06Å; S159-W162 VanDerWaalsContact O-N 3.15Å; A160-W162 VanDerWaalsContact C-N 3.35Å; A160-W162 PolarHBondContact O-N 3.25Å; W162-D164 VanDerWaalsContact C-N 3.29Å; W162-I167 HydrophobicContact CE3-CG2 4.46Å; W162-Q168 VanDerWaalsContact CE2-NE2 3.25Å; W162-Q168 PolarHBondContact O-NE2 2.72Å; W162-Y171 HydrophobicContact CH2-CD1 4.04Å; W162-Y171 AromaticContact CH2-CD2 3.71Å; W162-Y171 HydrophobicContact CH2-CD2 3.71Å; W162-Y171 HydrophobicContact CH2-CE1 4.24Å; W162-Y171 AromaticContact CH2-CE2 3.89Å; W162-Y171 HydrophobicContact CH2-CE2 3.89Å; W162-Y171 AromaticContact CH2-CG 3.8Å; W162-Y171 HydrophobicContact CH2-CG 3.8Å; W162-Y171 AromaticContact CZ3-CD2 3.81Å; W162-Y171 HydrophobicContact CZ3-CD2 3.81Å; W162-Y171 HydrophobicContact CZ3-CE2 4.34Å; W162-Y171 HydrophobicContact CZ3-CG 4.01Å; W162-I184 HydrophobicContact CE3-CG2 4.29Å; W162-I184 HydrophobicContact CH2-CG2 4.18Å; W162-I184 HydrophobicContact CZ3-CG2 3.79Å; W162-K185 HydrophobicContact CZ2-CB 4.4Å; W162-L188 HydrophobicContact CB-CB 4.31Å; W162-L188 HydrophobicContact CB-CD1 4.06Å; W162-L188 HydrophobicContact CD2-CB 3.7Å; W162-L188 HydrophobicContact CD2-CD1 3.52Å; W162-L188 HydrophobicContact CD2-CG 4.27Å; W162-L188 HydrophobicContact CE3-CB 4.44Å; W162-L188 HydrophobicContact CE3-CD1 3.44Å; W162-L188 VanDerWaalsContact CE3-CD1 3.44Å; W162-L188 HydrophobicContact CG-CB 3.61Å; W162-L188 HydrophobicContact CG-CD1 3.82Å; W162-L188 HydrophobicContact CG-CG 4.29Å; W162-L188 HydrophobicContact CZ3-CD1 4.12Å; W162-N189 PolarHBondContact NE1-OD1 3.23Å; W162-N189 VanDerWaalsContact NE1-OD1 3.09Å
163M87.3Confident86.8Confident107 Ų10744.6 Ų44.653%0.52724%0.235SC..Hα-helixtrans-75.6-16175.6-67.5-167.1-65.300113.7S159 A160 L161 A165 H192S159-M163 PolarHBondContact O-N 3.18Å; S159-M163 VanDerWaalsContact O-N 3.07Å; A160-M163 PolarHBondContact O-N 3.49Å; L161-M163 VanDerWaalsContact C-N 3.31Å; L161-M163 PolarHBondContact O-N 2.77Å; M163-A165 PolarHBondContact O-N 2.89Å; M163-H192 PolarHBondContact SD-CD2 2.7Å
164D91.3Very high86.3Confident1 Ų141 Ų411%0.00521%0.213CC..  trans-66.3125.9-179.9-170.2-99.4000111.6R115 Q123 S124 N127 A160 L161 W162 G166 I167 Q168R115-D164 IonicContact NH2-OD1 3.73Å; R115-D164 PolarHBondContact NH2-OD1 2.8Å; R115-D164 VanDerWaalsContact NH2-OD1 3.15Å; Q123-D164 WeakPolarHBondContact CB-OD2 3.31Å; Q123-D164 PolarHBondContact N-OD2 3.19Å; S124-D164 PolarHBondContact N-OD2 2.9Å; N127-D164 WeakPolarHBondContact ND2-CB 3.46Å; N127-D164 PolarHBondContact ND2-OD2 3.32Å; A160-D164 PolarHBondContact O-N 3.17Å; L161-D164 WeakPolarHBondContact O-CB 3.4Å; L161-D164 PolarHBondContact O-N 2.9Å; W162-D164 VanDerWaalsContact C-N 3.29Å; D164-G166 PolarHBondContact O-N 3.41Å; D164-G166 WeakPolarHBondContact OD1-CA 3.28Å; D164-G166 PolarHBondContact OD1-N 3.18Å; D164-I167 HydrophobicContact CB-CB 4.19Å; D164-I167 HydrophobicContact CB-CG1 4.03Å; D164-I167 PolarHBondContact O-N 2.9Å; D164-I167 VanDerWaalsContact O-N 3.11Å; D164-I167 PolarHBondContact OD1-N 3.29Å; D164-Q168 PolarHBondContact O-N 3.4Å
165A90Very high85.2Confident50 Ų5040.1 Ų40.141%0.41321%0.212SC..Hα-helixtrans-58.3-34.7178.200000112.7Q123 M163 Q168 E169Q123-A165 HydrophobicContact CB-CB 4.09Å; Q123-A165 HydrophobicContact CG-CB 4.25Å; Q123-A165 VanDerWaalsContact OE1-CB 3.31Å; M163-A165 PolarHBondContact O-N 2.89Å; A165-Q168 PolarHBondContact O-N 2.94Å; A165-E169 WeakPolarHBondContact O-CB 3.32Å; A165-E169 PolarHBondContact O-N 2.85Å
166G91.3Very high84.5Confident3 Ų341.9 Ų41.93%0.03122%0.219CC..Hα-helixtrans-67.4-37.6177.500000112.6D164 E169 A170D164-G166 PolarHBondContact O-N 3.41Å; D164-G166 WeakPolarHBondContact OD1-CA 3.28Å; D164-G166 PolarHBondContact OD1-N 3.18Å; G166-E169 PolarHBondContact O-N 2.89Å; G166-A170 WeakPolarHBondContact O-CB 3.2Å; G166-A170 PolarHBondContact O-N 2.98Å
167I91.6Very high84Confident0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-70.2-39.3172.5-64-62.3000111.4M108 L111 V112 R115 W122 L161 W162 D164 E169 A170 Y171M108-I167 HydrophobicContact SD-CG2 4.23Å; L111-I167 HydrophobicContact CB-CG2 4.34Å; L111-I167 HydrophobicContact CD1-CG2 4.2Å; V112-I167 HydrophobicContact CG2-CD1 4.17Å; R115-I167 HydrophobicContact CB-CD1 4.39Å; W122-I167 HydrophobicContact CH2-CD1 4.11Å; W122-I167 HydrophobicContact CH2-CG1 4.46Å; W122-I167 HydrophobicContact CZ3-CD1 4.11Å; W122-I167 HydrophobicContact CZ3-CG1 3.97Å; L161-I167 WeakPolarHBondContact O-CB 3.37Å; L161-I167 VanDerWaalsContact O-CG1 3.3Å; L161-I167 WeakPolarHBondContact O-CG1 3.38Å; L161-I167 WeakPolarHBondContact O-CG2 3.35Å; W162-I167 HydrophobicContact CE3-CG2 4.46Å; D164-I167 HydrophobicContact CB-CB 4.19Å; D164-I167 HydrophobicContact CB-CG1 4.03Å; D164-I167 PolarHBondContact O-N 2.9Å; D164-I167 VanDerWaalsContact O-N 3.11Å; D164-I167 PolarHBondContact OD1-N 3.29Å; I167-E169 VanDerWaalsContact C-N 3.32Å; I167-E169 PolarHBondContact O-N 3.11Å; I167-A170 PolarHBondContact O-N 3.05Å; I167-Y171 WeakPolarHBondContact O-CB 3.33Å; I167-Y171 PolarHBondContact O-N 3.35Å
168Q89.3Confident83Confident62 Ų6239.9 Ų39.929%0.2921%0.207SC..Hα-helixtrans-63.9-36.8174.1-72.4-60.3-41.400112.2W162 D164 A165 Y171 T172W162-Q168 VanDerWaalsContact CE2-NE2 3.25Å; W162-Q168 PolarHBondContact O-NE2 2.72Å; D164-Q168 PolarHBondContact O-N 3.4Å; A165-Q168 PolarHBondContact O-N 2.94Å; Q168-Y171 CarbonylContact O-C 3.51Å; Q168-Y171 PolarHBondContact O-N 3.15Å; Q168-T172 PolarHBondContact O-N 2.9Å; Q168-T172 PolarHBondContact O-OG1 3.25Å
169E87.3Confident82.1Confident95 Ų9540 Ų4044%0.44421%0.207SC..Hα-helixtrans-66.5-48173.8-172.3-176.9157.400111.2I120 A165 G166 I167 Y171 T172 R173I120-E169 HydrophobicContact CD1-CB 4.38Å; I120-E169 HydrophobicContact CD1-CG 4.07Å; I120-E169 HydrophobicContact CG2-CB 4.27Å; A165-E169 WeakPolarHBondContact O-CB 3.32Å; A165-E169 PolarHBondContact O-N 2.85Å; G166-E169 PolarHBondContact O-N 2.89Å; I167-E169 VanDerWaalsContact C-N 3.32Å; I167-E169 PolarHBondContact O-N 3.11Å; E169-Y171 PolarHBondContact O-N 3.01Å; E169-T172 WeakPolarHBondContact O-CA 3.48Å; E169-T172 WeakPolarHBondContact O-CB 3.28Å; E169-T172 PolarHBondContact O-N 2.84Å; E169-R173 PolarHBondContact O-N 3.21Å
170A88.1Confident81Confident0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-57.2-40.7173.200000111.1R115 I120 G166 I167 T172 R173 R174 F177R115-A170 HydrophobicContact CB-CB 3.93Å; I120-A170 HydrophobicContact CD1-CB 4.03Å; G166-A170 WeakPolarHBondContact O-CB 3.2Å; G166-A170 PolarHBondContact O-N 2.98Å; I167-A170 PolarHBondContact O-N 3.05Å; A170-T172 PolarHBondContact O-N 3.37Å; A170-R173 CarbonylContact O-C 3.58Å; A170-R173 VanDerWaalsContact O-C 3.22Å; A170-R173 WeakPolarHBondContact O-CA 3.41Å; A170-R173 PolarHBondContact O-N 3.35Å; A170-R174 PolarHBondContact O-N 3.42Å; A170-F177 WeakPolarHBondContact O-CE1 3.5Å; A170-F177 WeakPolarHBondContact O-CZ 3.38Å
171Y84.8Confident79.4Confident16 Ų1639.5 Ų39.56%0.06320%0.197CC..Hα-helixtrans-65.8-35173.8-175.7-93.3000112.5L111 W162 I167 Q168 E169 R173 R174 L179 K185L111-Y171 HydrophobicContact CD1-CD2 4.28Å; L111-Y171 HydrophobicContact CD2-CD2 4.16Å; W162-Y171 HydrophobicContact CH2-CD1 4.04Å; W162-Y171 AromaticContact CH2-CD2 3.71Å; W162-Y171 HydrophobicContact CH2-CD2 3.71Å; W162-Y171 HydrophobicContact CH2-CE1 4.24Å; W162-Y171 AromaticContact CH2-CE2 3.89Å; W162-Y171 HydrophobicContact CH2-CE2 3.89Å; W162-Y171 AromaticContact CH2-CG 3.8Å; W162-Y171 HydrophobicContact CH2-CG 3.8Å; W162-Y171 AromaticContact CZ3-CD2 3.81Å; W162-Y171 HydrophobicContact CZ3-CD2 3.81Å; W162-Y171 HydrophobicContact CZ3-CE2 4.34Å; W162-Y171 HydrophobicContact CZ3-CG 4.01Å; I167-Y171 WeakPolarHBondContact O-CB 3.33Å; I167-Y171 PolarHBondContact O-N 3.35Å; Q168-Y171 CarbonylContact O-C 3.51Å; Q168-Y171 PolarHBondContact O-N 3.15Å; E169-Y171 PolarHBondContact O-N 3.01Å; Y171-R173 VanDerWaalsContact C-N 3.28Å; Y171-R173 PolarHBondContact O-N 3.45Å; Y171-R174 WeakPolarHBondContact O-CB 3.25Å; Y171-R174 WeakPolarHBondContact O-CD 3.48Å; Y171-R174 WeakPolarHBondContact O-CG 3.49Å; Y171-R174 PolarHBondContact O-N 3.15Å; Y171-R174 VanDerWaalsContact O-N 3.15Å; Y171-R174 PolarHBondContact O-NH1 3.23Å; Y171-L179 HydrophobicContact CD2-CD2 3.6Å; Y171-L179 HydrophobicContact CE2-CD2 3.73Å; Y171-K185 HydrophobicContact CE1-CD 4.42Å; Y171-K185 WeakPolarHBondContact OH-CB 3.5Å
172T81.4Confident77.6Confident98 Ų9841.3 Ų41.360%0.60121%0.21SC*.Hα-helixtrans-63-41.1173.6-61.40000110.2Q168 E169 A170 R174Q168-T172 PolarHBondContact O-N 2.9Å; Q168-T172 PolarHBondContact O-OG1 3.25Å; E169-T172 WeakPolarHBondContact O-CA 3.48Å; E169-T172 WeakPolarHBondContact O-CB 3.28Å; E169-T172 PolarHBondContact O-N 2.84Å; A170-T172 PolarHBondContact O-N 3.37Å; T172-R174 VanDerWaalsContact C-N 3.25Å; T172-R174 PolarHBondContact O-N 3.11Å
173R77.9Confident76.1Confident79 Ų7940.5 Ų40.530%0.29821%0.207SC..THydrogen-bonded Turntrans-82.313.7174.2-64.6178.466.5-176.3-0.4114.5L118 E169 A170 Y171 S175 E176 F177L118-R173 HydrophobicContact CD1-CB 4.08Å; E169-R173 PolarHBondContact O-N 3.21Å; A170-R173 CarbonylContact O-C 3.58Å; A170-R173 VanDerWaalsContact O-C 3.22Å; A170-R173 WeakPolarHBondContact O-CA 3.41Å; A170-R173 PolarHBondContact O-N 3.35Å; Y171-R173 VanDerWaalsContact C-N 3.28Å; Y171-R173 PolarHBondContact O-N 3.45Å; R173-S175 PolarHBondContact O-N 3.35Å; R173-E176 WeakPolarHBondContact CB-OE1 3.45Å; R173-E176 IonicContact CZ-OE1 3.15Å; R173-E176 IonicContact CZ-OE2 3.26Å; R173-E176 IonicContact NE-OE1 3.58Å; R173-E176 PolarHBondContact NE-OE1 2.84Å; R173-E176 IonicContact NE-OE2 2.93Å; R173-E176 IonicContact NH2-OE1 2.78Å; R173-E176 PolarHBondContact NH2-OE1 3.47Å; R173-E176 IonicContact NH2-OE2 2.71Å; R173-E176 PolarHBondContact NH2-OE2 3.26Å; R173-E176 WeakPolarHBondContact O-CB 3.31Å; R173-E176 PolarHBondContact O-N 2.91Å; R173-F177 WeakPolarHBondContact O-CE1 3.34Å
174R74.3Confident75Confident55 Ų5535.5 Ų35.521%0.20818%0.182CC..THydrogen-bonded Turntrans-56.1-5.2176.770-169176.2-73.21.1115.1A170 Y171 T172 E176 F177 L179 K181A170-R174 PolarHBondContact O-N 3.42Å; Y171-R174 WeakPolarHBondContact O-CB 3.25Å; Y171-R174 WeakPolarHBondContact O-CD 3.48Å; Y171-R174 WeakPolarHBondContact O-CG 3.49Å; Y171-R174 PolarHBondContact O-N 3.15Å; Y171-R174 VanDerWaalsContact O-N 3.15Å; Y171-R174 PolarHBondContact O-NH1 3.23Å; T172-R174 VanDerWaalsContact C-N 3.25Å; T172-R174 PolarHBondContact O-N 3.11Å; R174-E176 VanDerWaalsContact C-N 3.35Å; R174-F177 HydrophobicContact CB-CE2 4.39Å; R174-F177 HydrophobicContact CB-CZ 4.15Å; R174-F177 VanDerWaalsContact O-O 3.06Å; R174-L179 HydrophobicContact CB-CB 4.47Å; R174-L179 HydrophobicContact CB-CD2 4.02Å; R174-K181 HydrophobicContact CG-CD 4.23Å; R174-K181 VanDerWaalsContact O-CE 3.27Å; R174-K181 WeakPolarHBondContact O-CE 3.28Å; R174-K181 PolarHBondContact O-NZ 3.26Å
175S61.4Low73.8Confident19 Ų1939.1 Ų39.113%0.13320%0.198CC..THydrogen-bonded Turntrans-70-29.8169.441.40000113.5R173 F177 P257R173-S175 PolarHBondContact O-N 3.35Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.42Å; S175-P257 CarbonylContact C-O 3.6Å; S175-P257 WeakPolarHBondContact CA-O 3.39Å; S175-P257 WeakPolarHBondContact CB-O 3.43Å; S175-P257 VanDerWaalsContact O-O 3.12Å
176E69.1Low72.4Confident61 Ų6142 Ų4229%0.28520%0.199SC..THydrogen-bonded Turntrans-76.6-18.8-174.7-70.5170.4-125.200112.9L118 R173 R174 P259L118-E176 WeakPolarHBondContact CD2-OE2 3.47Å; R173-E176 WeakPolarHBondContact CB-OE1 3.45Å; R173-E176 IonicContact CZ-OE1 3.15Å; R173-E176 IonicContact CZ-OE2 3.26Å; R173-E176 IonicContact NE-OE1 3.58Å; R173-E176 PolarHBondContact NE-OE1 2.84Å; R173-E176 IonicContact NE-OE2 2.93Å; R173-E176 IonicContact NH2-OE1 2.78Å; R173-E176 PolarHBondContact NH2-OE1 3.47Å; R173-E176 IonicContact NH2-OE2 2.71Å; R173-E176 PolarHBondContact NH2-OE2 3.26Å; R173-E176 WeakPolarHBondContact O-CB 3.31Å; R173-E176 PolarHBondContact O-N 2.91Å; R174-E176 VanDerWaalsContact C-N 3.35Å; E176-P259 HydrophobicContact CG-CB 4.38Å; E176-P259 HydrophobicContact CG-CG 3.71Å
177F73.1Confident71.1Confident35 Ų3542 Ų4215%0.15420%0.198CC..THydrogen-bonded Turntrans-140.6167.6-175.756-89.4000113V110 L111 A114 L118 A170 R173 R174 S175 L179V110-F177 HydrophobicContact CG1-CD2 3.66Å; V110-F177 HydrophobicContact CG1-CE2 4.02Å; L111-F177 HydrophobicContact CD2-CE2 4Å; L111-F177 HydrophobicContact CD2-CZ 3.91Å; A114-F177 HydrophobicContact CB-CD1 3.53Å; A114-F177 HydrophobicContact CB-CD2 3.74Å; A114-F177 HydrophobicContact CB-CE1 3.43Å; A114-F177 VanDerWaalsContact CB-CE1 3.43Å; A114-F177 HydrophobicContact CB-CE2 3.63Å; A114-F177 HydrophobicContact CB-CG 3.68Å; A114-F177 HydrophobicContact CB-CZ 3.46Å; A114-F177 VanDerWaalsContact CB-CZ 3.46Å; L118-F177 HydrophobicContact CD1-CD1 4.39Å; L118-F177 HydrophobicContact CD1-CE1 4.1Å; A170-F177 WeakPolarHBondContact O-CE1 3.5Å; A170-F177 WeakPolarHBondContact O-CZ 3.38Å; R173-F177 WeakPolarHBondContact O-CE1 3.34Å; R174-F177 HydrophobicContact CB-CE2 4.39Å; R174-F177 HydrophobicContact CB-CZ 4.15Å; R174-F177 VanDerWaalsContact O-O 3.06Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.42Å; F177-L179 HydrophobicContact CD2-CB 4.17Å; F177-L179 HydrophobicContact CE2-CB 3.96Å; F177-L179 HydrophobicContact CE2-CD1 4.32Å; F177-L179 HydrophobicContact CE2-CD2 4.34Å; F177-L179 HydrophobicContact CE2-CG 4.44Å; F177-L179 PolarHBondContact O-N 2.88Å
178Q65.8Low69.8Low80 Ų8042.2 Ų42.237%0.37420%0.199SC..THydrogen-bonded Turntrans-87.887.2-174.4-64.4-63.4-22.800111.8
179L67.9Low68.5Low3 Ų342.2 Ų42.22%0.01620%0.201CC..  trans-96.5145.7175.5-167.365.7000113.4G107 V110 L111 Y171 R174 F177 K181 I184G107-L179 WeakPolarHBondContact O-CD1 3.26Å; V110-L179 HydrophobicContact CB-CD1 3.93Å; V110-L179 HydrophobicContact CG1-CD1 3.78Å; L111-L179 HydrophobicContact CD1-CD2 4.32Å; L111-L179 HydrophobicContact CD2-CD1 4.24Å; L111-L179 HydrophobicContact CD2-CD2 3.7Å; L111-L179 HydrophobicContact CG-CD1 3.85Å; L111-L179 HydrophobicContact CG-CD2 4.03Å; Y171-L179 HydrophobicContact CD2-CD2 3.6Å; Y171-L179 HydrophobicContact CE2-CD2 3.73Å; R174-L179 HydrophobicContact CB-CB 4.47Å; R174-L179 HydrophobicContact CB-CD2 4.02Å; F177-L179 HydrophobicContact CD2-CB 4.17Å; F177-L179 HydrophobicContact CE2-CB 3.96Å; F177-L179 HydrophobicContact CE2-CD1 4.32Å; F177-L179 HydrophobicContact CE2-CD2 4.34Å; F177-L179 HydrophobicContact CE2-CG 4.44Å; F177-L179 PolarHBondContact O-N 2.88Å; L179-K181 HydrophobicContact CB-CG 4.33Å; L179-K181 WeakPolarHBondContact O-CG 3.42Å; L179-K181 PolarHBondContact O-N 3.22Å; L179-I184 HydrophobicContact CD1-CD1 3.4Å; L179-I184 HydrophobicContact CD2-CD1 3.94Å; L179-I184 HydrophobicContact CG-CD1 3.6Å
180L62Low66.9Low24 Ų2439.5 Ų39.513%0.12619%0.191CC..  trans-70.266.4168.5-72.8161.6000111.5N103 K106 S182 T183 I184 R210N103-L180 HydrophobicContact CB-CD1 4.32Å; K106-L180 HydrophobicContact CB-CD1 4.16Å; L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.49Å; L180-S182 VanDerWaalsContact O-N 3.11Å; L180-T183 PolarHBondContact O-N 2.93Å; L180-I184 HydrophobicContact CB-CD1 4.43Å; L180-R210 HydrophobicContact CD2-CG 4.33Å
181K53.9Low65.4Low25 Ų2541.3 Ų41.311%0.10920%0.201CC..Hα-helixtrans-56.6-34.5-162.4-49.3-160.5-179.7-170.20116.3R174 L179R174-K181 HydrophobicContact CG-CD 4.23Å; R174-K181 VanDerWaalsContact O-CE 3.27Å; R174-K181 WeakPolarHBondContact O-CE 3.28Å; R174-K181 PolarHBondContact O-NZ 3.26Å; L179-K181 HydrophobicContact CB-CG 4.33Å; L179-K181 WeakPolarHBondContact O-CG 3.42Å; L179-K181 PolarHBondContact O-N 3.22Å
182S51.8Low63.8Low38 Ų3845.8 Ų45.827%0.26622%0.222SC..Hα-helixtrans-84.1-21.4-169.953.20000114.1L180 Y186 F208L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.49Å; L180-S182 VanDerWaalsContact O-N 3.11Å; S182-Y186 WeakPolarHBondContact O-CD2 3.41Å; S182-F208 WeakPolarHBondContact O-CD1 3.35Å; S182-F208 WeakPolarHBondContact O-CE1 3.32Å
183T57.5Low62Low0 Ų048.1 Ų48.10%023%0.226CC..Hα-helixtrans-89.3-45.9-177.5-48.50000109.9N103 I104 L180 Y186 F187N103-T183 HydrophobicContact CB-CG2 4.27Å; I104-T183 HydrophobicContact CG1-CG2 4.26Å; L180-T183 PolarHBondContact O-N 2.93Å; T183-Y186 PolarHBondContact O-N 2.98Å; T183-F187 HydrophobicContact CG2-CD2 3.79Å; T183-F187 HydrophobicContact CG2-CE2 4.36Å; T183-F187 VanDerWaalsContact O-CB 3.28Å; T183-F187 WeakPolarHBondContact O-CB 3.49Å; T183-F187 PolarHBondContact O-N 2.98Å
184I65.1Low60.3Low1 Ų151.4 Ų51.41%0.00524%0.243CC..Hα-helixtrans-62.2-56-168-60.2171000113L111 W162 L179 L180 Y186 F187 L188L111-I184 HydrophobicContact CD1-CG2 4.18Å; W162-I184 HydrophobicContact CE3-CG2 4.29Å; W162-I184 HydrophobicContact CH2-CG2 4.18Å; W162-I184 HydrophobicContact CZ3-CG2 3.79Å; L179-I184 HydrophobicContact CD1-CD1 3.4Å; L179-I184 HydrophobicContact CD2-CD1 3.94Å; L179-I184 HydrophobicContact CG-CD1 3.6Å; L180-I184 HydrophobicContact CB-CD1 4.43Å; I184-Y186 PolarHBondContact O-N 3.49Å; I184-F187 PolarHBondContact O-N 3.33Å; I184-L188 HydrophobicContact CG2-CD1 3.41Å; I184-L188 VanDerWaalsContact CG2-CD1 3.41Å; I184-L188 HydrophobicContact CG2-CG 4.26Å; I184-L188 VanDerWaalsContact O-CB 3.3Å; I184-L188 WeakPolarHBondContact O-CB 3.41Å; I184-L188 VanDerWaalsContact O-CG 3.31Å; I184-L188 WeakPolarHBondContact O-CG 3.39Å; I184-L188 PolarHBondContact O-N 3.29Å
185K65.8Low58.8Low78 Ų7852.1 Ų52.134%0.33927%0.267SS..Hα-helixtrans-63.8-40-179.7-178.9179.9177.9-174.60112.3W162 Y171 F187 N189W162-K185 HydrophobicContact CZ2-CB 4.4Å; Y171-K185 HydrophobicContact CE1-CD 4.42Å; Y171-K185 WeakPolarHBondContact OH-CB 3.5Å; K185-F187 VanDerWaalsContact C-N 3.29Å; K185-F187 PolarHBondContact O-N 3.4Å; K185-N189 WeakPolarHBondContact O-CB 3.31Å; K185-N189 VanDerWaalsContact O-CG 3.25Å; K185-N189 PolarHBondContact O-N 2.91Å; K185-N189 PolarHBondContact O-OD1 2.95Å
186Y60.7Low57.9Low111 Ų11157.7 Ų57.744%0.43529%0.291SS..Hα-helixtrans-70.5-24.3178.6-81.8-85.8000113S182 T183 I184 P190 F208S182-Y186 WeakPolarHBondContact O-CD2 3.41Å; T183-Y186 PolarHBondContact O-N 2.98Å; I184-Y186 PolarHBondContact O-N 3.49Å; Y186-P190 WeakPolarHBondContact O-CD 3.2Å; Y186-P190 WeakPolarHBondContact O-CG 3.29Å; Y186-F208 HydrophobicContact CD1-CE2 4.32Å; Y186-F208 AromaticContact CD1-CZ 3.87Å; Y186-F208 HydrophobicContact CD1-CZ 3.87Å; Y186-F208 AromaticContact CD2-CE1 3.99Å; Y186-F208 HydrophobicContact CD2-CE1 3.99Å; Y186-F208 AromaticContact CD2-CZ 3.94Å; Y186-F208 HydrophobicContact CD2-CZ 3.94Å; Y186-F208 HydrophobicContact CE1-CZ 4.12Å; Y186-F208 HydrophobicContact CE2-CE1 4.22Å; Y186-F208 HydrophobicContact CE2-CZ 4.18Å; Y186-F208 HydrophobicContact CG-CE1 4.23Å; Y186-F208 HydrophobicContact CG-CE2 4.29Å; Y186-F208 AromaticContact CG-CZ 3.76Å; Y186-F208 HydrophobicContact CG-CZ 3.76Å
187F63.9Low56.7Low2 Ų261.8 Ų61.81%0.00931%0.314CS..Hα-helixtrans-90.1-44176.7-116.9-79.6000113.7I100 I104 T183 I184 K185 P190 L191 I198 L205I100-F187 HydrophobicContact CB-CE2 4.35Å; I100-F187 HydrophobicContact CG1-CE2 4.44Å; I100-F187 HydrophobicContact CG2-CD2 4.14Å; I100-F187 HydrophobicContact CG2-CE1 4.16Å; I100-F187 HydrophobicContact CG2-CE2 3.08Å; I100-F187 HydrophobicContact CG2-CZ 3.11Å; I104-F187 HydrophobicContact CD1-CB 4.16Å; I104-F187 HydrophobicContact CD1-CD1 3.44Å; I104-F187 VanDerWaalsContact CD1-CD1 3.44Å; I104-F187 HydrophobicContact CD1-CD2 3.83Å; I104-F187 HydrophobicContact CD1-CE1 3.62Å; I104-F187 HydrophobicContact CD1-CE2 3.96Å; I104-F187 HydrophobicContact CD1-CG 3.53Å; I104-F187 HydrophobicContact CD1-CZ 3.86Å; I104-F187 HydrophobicContact CG1-CB 4.31Å; I104-F187 HydrophobicContact CG1-CD1 4.43Å; I104-F187 HydrophobicContact CG1-CD2 4.24Å; I104-F187 HydrophobicContact CG1-CG 4.08Å; T183-F187 HydrophobicContact CG2-CD2 3.79Å; T183-F187 HydrophobicContact CG2-CE2 4.36Å; T183-F187 VanDerWaalsContact O-CB 3.28Å; T183-F187 WeakPolarHBondContact O-CB 3.49Å; T183-F187 PolarHBondContact O-N 2.98Å; I184-F187 PolarHBondContact O-N 3.33Å; K185-F187 VanDerWaalsContact C-N 3.29Å; K185-F187 PolarHBondContact O-N 3.4Å; F187-P190 WeakPolarHBondContact O-CD 3.34Å; F187-L191 HydrophobicContact CD1-CD1 4.15Å; F187-L191 WeakPolarHBondContact O-CD1 3.4Å; F187-L191 WeakPolarHBondContact O-CG 3.18Å; F187-L191 PolarHBondContact O-N 3.42Å; F187-I198 HydrophobicContact CE1-CG1 4.38Å; F187-I198 HydrophobicContact CE1-CG2 4.3Å; F187-I198 HydrophobicContact CZ-CG2 4.38Å; F187-L205 HydrophobicContact CD2-CD1 4.43Å; F187-L205 HydrophobicContact CD2-CD2 3.33Å; F187-L205 HydrophobicContact CD2-CG 4.35Å; F187-L205 HydrophobicContact CE1-CD1 3.91Å; F187-L205 HydrophobicContact CE2-CB 3.99Å; F187-L205 HydrophobicContact CE2-CD1 3.42Å; F187-L205 VanDerWaalsContact CE2-CD1 3.42Å; F187-L205 HydrophobicContact CE2-CD2 2.99Å; F187-L205 HydrophobicContact CE2-CG 3.55Å; F187-L205 HydrophobicContact CG-CD2 4.25Å; F187-L205 HydrophobicContact CZ-CB 4.39Å; F187-L205 HydrophobicContact CZ-CD1 3.1Å; F187-L205 HydrophobicContact CZ-CD2 3.68Å; F187-L205 HydrophobicContact CZ-CG 3.81Å
188L63.9Low55.6Low4 Ų461.4 Ų61.42%0.02131%0.313CS..Hα-helixtrans-80.7-25.6-170.3-64.5176.8000112.4I104 M108 L158 W162 I184 L191 H192I104-L188 HydrophobicContact CG2-CD2 4.43Å; M108-L188 HydrophobicContact CE-CD1 3.56Å; L158-L188 HydrophobicContact CB-CD2 4.29Å; W162-L188 HydrophobicContact CB-CB 4.31Å; W162-L188 HydrophobicContact CB-CD1 4.06Å; W162-L188 HydrophobicContact CD2-CB 3.7Å; W162-L188 HydrophobicContact CD2-CD1 3.52Å; W162-L188 HydrophobicContact CD2-CG 4.27Å; W162-L188 HydrophobicContact CE3-CB 4.44Å; W162-L188 HydrophobicContact CE3-CD1 3.44Å; W162-L188 VanDerWaalsContact CE3-CD1 3.44Å; W162-L188 HydrophobicContact CG-CB 3.61Å; W162-L188 HydrophobicContact CG-CD1 3.82Å; W162-L188 HydrophobicContact CG-CG 4.29Å; W162-L188 HydrophobicContact CZ3-CD1 4.12Å; I184-L188 HydrophobicContact CG2-CD1 3.41Å; I184-L188 VanDerWaalsContact CG2-CD1 3.41Å; I184-L188 HydrophobicContact CG2-CG 4.26Å; I184-L188 VanDerWaalsContact O-CB 3.3Å; I184-L188 WeakPolarHBondContact O-CB 3.41Å; I184-L188 VanDerWaalsContact O-CG 3.31Å; I184-L188 WeakPolarHBondContact O-CG 3.39Å; I184-L188 PolarHBondContact O-N 3.29Å; L188-L191 HydrophobicContact CD2-CD1 3.83Å; L188-H192 PolarHBondContact O-N 3.45Å
189N63.2Low54.4Low62 Ų6267.3 Ų67.333%0.33233%0.334SS..Hα-helixtrans-65.8-48.1173.8-72.312.1000112.2W162 K185 L191 H192 E193W162-N189 PolarHBondContact NE1-OD1 3.23Å; W162-N189 VanDerWaalsContact NE1-OD1 3.09Å; K185-N189 WeakPolarHBondContact O-CB 3.31Å; K185-N189 VanDerWaalsContact O-CG 3.25Å; K185-N189 PolarHBondContact O-N 2.91Å; K185-N189 PolarHBondContact O-OD1 2.95Å; N189-L191 PolarHBondContact O-N 3.42Å; N189-H192 WeakPolarHBondContact O-CB 3.5Å; N189-H192 PolarHBondContact O-N 3.06Å; N189-E193 PolarHBondContact O-N 2.88Å
190P54Low53.1Low38 Ų3874 Ų7425%0.24737%0.368CS..Hα-helixtrans-67.8-31.5175-2333.8000114.7Y186 F187 H192 E193 K194 L201Y186-P190 WeakPolarHBondContact O-CD 3.2Å; Y186-P190 WeakPolarHBondContact O-CG 3.29Å; F187-P190 WeakPolarHBondContact O-CD 3.34Å; P190-H192 PolarHBondContact O-N 3.09Å; P190-E193 PolarHBondContact O-N 3.07Å; P190-K194 PolarHBondContact O-N 3.26Å; P190-K194 VanDerWaalsContact O-N 3.14Å; P190-L201 HydrophobicContact CB-CD1 3.86Å; P190-L201 HydrophobicContact CG-CD1 4.13Å
191L55.7Low52.4Low39 Ų3975.4 Ų75.420%0.20438%0.375CS..Hα-helixtrans-60-31.6175.1-85.2163.6000112V155 F187 L188 N189V155-L191 HydrophobicContact CG1-CD2 4.31Å; F187-L191 HydrophobicContact CD1-CD1 4.15Å; F187-L191 WeakPolarHBondContact O-CD1 3.4Å; F187-L191 WeakPolarHBondContact O-CG 3.18Å; F187-L191 PolarHBondContact O-N 3.42Å; L188-L191 HydrophobicContact CD2-CD1 3.83Å; N189-L191 PolarHBondContact O-N 3.42Å
192H50.4Low52.1Low110 Ų11075.9 Ų75.951%0.50938%0.378SS..Hα-helixtrans-77.7-41.9174.7175-92.6000112.8M163 L188 N189 P190M163-H192 PolarHBondContact SD-CD2 2.7Å; L188-H192 PolarHBondContact O-N 3.45Å; N189-H192 WeakPolarHBondContact O-CB 3.5Å; N189-H192 PolarHBondContact O-N 3.06Å; P190-H192 PolarHBondContact O-N 3.09Å
193E45.1Very low51.9Low146 Ų14677.6 Ų77.668%0.68239%0.394SS*.Hα-helixtrans-82.2-30.5-170.1-74.7178.4-175.800115.3N189 P190N189-E193 PolarHBondContact O-N 2.88Å; P190-E193 PolarHBondContact O-N 3.07Å
194K40.8Very low51.6Low149 Ų14983.5 Ų83.565%0.64842%0.422SS*.THydrogen-bonded Turntrans-123.5-16.5-167.4-66.7-171.1177.9-174.10116P190 E196P190-K194 PolarHBondContact O-N 3.26Å; P190-K194 VanDerWaalsContact O-N 3.14Å; K194-E196 PolarHBondContact O-N 2.88Å
195G43.2Very low51.1Low70 Ų7083.6 Ų83.672%0.72242%0.422SS*.  trans57.41.6-178.900000115.7
196E42.5Very low50.7Low135 Ų13579.9 Ų79.963%0.63141%0.406SS*.  trans-84.5140-174.9-79.2-176.7158.400111.4K194 I198K194-E196 PolarHBondContact O-N 2.88Å; E196-I198 PolarHBondContact O-N 3.2Å
197L43.6Very low50.3Low147 Ų14774.8 Ų74.877%0.7739%0.386SS*.  trans-50.5135.8177.3-104.787.6000111.2Y199L197-Y199 PolarHBondContact O-N 3.31Å
198I50.6Low49.9Very low27 Ų2775.3 Ų75.314%0.13839%0.389CS..THydrogen-bonded Turntrans-41.3-2.7177.9-67146.6000116.8Y101 F151 F187 E196Y101-I198 HydrophobicContact CE1-CD1 4.04Å; Y101-I198 HydrophobicContact CE1-CG2 4.18Å; F151-I198 HydrophobicContact CD1-CD1 4.14Å; F151-I198 HydrophobicContact CE1-CD1 3.9Å; F187-I198 HydrophobicContact CE1-CG1 4.38Å; F187-I198 HydrophobicContact CE1-CG2 4.3Å; F187-I198 HydrophobicContact CZ-CG2 4.38Å; E196-I198 PolarHBondContact O-N 3.2Å
199Y41.6Very low49.5Very low204 Ų20475.3 Ų75.380%0.839%0.389SS*.THydrogen-bonded Turntrans-70.7-38.5-172.2-148.1-92.5000114.2L197 F202L197-Y199 PolarHBondContact O-N 3.31Å; Y199-F202 WeakPolarHBondContact O-CB 3.41Å
200I39.4Very low49Very low143 Ų14376.5 Ų76.573%0.73339%0.389SS*.THydrogen-bonded Turntrans-78-27.5-173.4-62.1175.2000112.4F202I200-F202 VanDerWaalsContact C-N 3.27Å; I200-F202 PolarHBondContact O-N 3.11Å
201L47.2Very low49.1Very low54 Ų5479.2 Ų79.228%0.28339%0.394SS..THydrogen-bonded Turntrans-79.1-9.7179.1-70.8167.7000113.2P190 A203 Q204 L205P190-L201 HydrophobicContact CB-CD1 3.86Å; P190-L201 HydrophobicContact CG-CD1 4.13Å; L201-A203 VanDerWaalsContact C-N 3.29Å; L201-A203 PolarHBondContact O-N 3.32Å; L201-A203 VanDerWaalsContact O-N 3.07Å; L201-Q204 PolarHBondContact O-N 3.49Å; L201-L205 HydrophobicContact CB-CD1 3.4Å; L201-L205 VanDerWaalsContact CB-CD1 3.4Å; L201-L205 HydrophobicContact CB-CD2 4.46Å; L201-L205 HydrophobicContact CB-CG 3.8Å; L201-L205 WeakPolarHBondContact O-CG 3.37Å; L201-L205 PolarHBondContact O-N 2.87Å
202F48.5Very low48.5Very low36 Ų3678.6 Ų78.616%0.15839%0.393CS..Hα-helixtrans-52.1-41.7-165-153-92.6000114.5L93 F96 R97 Y199 I200 Q204 L205 V206L93-F202 HydrophobicContact CB-CD1 4.49Å; L93-F202 HydrophobicContact CB-CE1 3.65Å; L93-F202 HydrophobicContact CB-CZ 4.3Å; L93-F202 HydrophobicContact CD2-CD1 3.78Å; L93-F202 HydrophobicContact CD2-CE1 3.54Å; L93-F202 HydrophobicContact CG-CE1 4.16Å; L93-F202 WeakPolarHBondContact O-CE1 3.43Å; L93-F202 WeakPolarHBondContact O-CZ 3.33Å; F96-F202 HydrophobicContact CB-CZ 4.42Å; R97-F202 HydrophobicContact CB-CE2 3.59Å; R97-F202 HydrophobicContact CB-CZ 3.7Å; R97-F202 HydrophobicContact CG-CE2 4Å; Y199-F202 WeakPolarHBondContact O-CB 3.41Å; I200-F202 VanDerWaalsContact C-N 3.27Å; I200-F202 PolarHBondContact O-N 3.11Å; F202-Q204 PolarHBondContact O-N 3.11Å; F202-L205 PolarHBondContact O-N 3.4Å; F202-V206 HydrophobicContact CD1-CG2 4.02Å; F202-V206 HydrophobicContact CE1-CG2 3.92Å; F202-V206 VanDerWaalsContact O-CG2 3.29Å; F202-V206 WeakPolarHBondContact O-CG2 3.37Å; F202-V206 PolarHBondContact O-N 3.35Å
203A47.9Very low48.2Very low74 Ų7474.4 Ų74.461%0.61237%0.374SS*.Hα-helixtrans-62.7-41.4179.500000113.1L201L201-A203 VanDerWaalsContact C-N 3.29Å; L201-A203 PolarHBondContact O-N 3.32Å; L201-A203 VanDerWaalsContact O-N 3.07Å
204Q50.5Low47.8Very low123 Ų12372 Ų7258%0.57537%0.366SS*.Hα-helixtrans-72.9-35.4174.8-72.3-179.7-1400111.1L201 F202 V206 L207 F208L201-Q204 PolarHBondContact O-N 3.49Å; F202-Q204 PolarHBondContact O-N 3.11Å; Q204-V206 PolarHBondContact O-N 2.83Å; Q204-L207 VanDerWaalsContact O-CB 3.28Å; Q204-L207 WeakPolarHBondContact O-CB 3.36Å; Q204-L207 PolarHBondContact O-N 2.64Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; Q204-F208 WeakPolarHBondContact O-CD2 3.44Å
205L53.6Low47.5Very low3 Ų369 Ų692%0.01636%0.364CS..Hα-helixtrans-70.1-30.3-178-61.6169.7000113.5I100 F187 L201 F202 L207 F208 S209I100-L205 HydrophobicContact CD1-CB 3.55Å; I100-L205 HydrophobicContact CG1-CB 4.38Å; F187-L205 HydrophobicContact CD2-CD1 4.43Å; F187-L205 HydrophobicContact CD2-CD2 3.33Å; F187-L205 HydrophobicContact CD2-CG 4.35Å; F187-L205 HydrophobicContact CE1-CD1 3.91Å; F187-L205 HydrophobicContact CE2-CB 3.99Å; F187-L205 HydrophobicContact CE2-CD1 3.42Å; F187-L205 VanDerWaalsContact CE2-CD1 3.42Å; F187-L205 HydrophobicContact CE2-CD2 2.99Å; F187-L205 HydrophobicContact CE2-CG 3.55Å; F187-L205 HydrophobicContact CG-CD2 4.25Å; F187-L205 HydrophobicContact CZ-CB 4.39Å; F187-L205 HydrophobicContact CZ-CD1 3.1Å; F187-L205 HydrophobicContact CZ-CD2 3.68Å; F187-L205 HydrophobicContact CZ-CG 3.81Å; L201-L205 HydrophobicContact CB-CD1 3.4Å; L201-L205 VanDerWaalsContact CB-CD1 3.4Å; L201-L205 HydrophobicContact CB-CD2 4.46Å; L201-L205 HydrophobicContact CB-CG 3.8Å; L201-L205 WeakPolarHBondContact O-CG 3.37Å; L201-L205 PolarHBondContact O-N 2.87Å; F202-L205 PolarHBondContact O-N 3.4Å; L205-L207 PolarHBondContact O-N 2.8Å; L205-F208 HydrophobicContact CD2-CD2 4.42Å; L205-F208 PolarHBondContact O-N 2.72Å; L205-S209 PolarHBondContact O-N 2.92Å
206V58.2Low46.9Very low1 Ų173.3 Ų73.31%0.00637%0.365CS..Hα-helixtrans-54.4-38.9170.4167.80000110.8K78 F88 L93 F96 F202 Q204 F208 S209K78-V206 HydrophobicContact CD-CG1 4.19Å; K78-V206 VanDerWaalsContact CD-O 3.23Å; K78-V206 WeakPolarHBondContact CD-O 3.2Å; K78-V206 WeakPolarHBondContact CE-O 3.48Å; K78-V206 PolarHBondContact NZ-O 3.25Å; F88-V206 HydrophobicContact CD2-CG1 4.38Å; F88-V206 HydrophobicContact CE1-CG1 4.42Å; F88-V206 HydrophobicContact CE2-CG1 3.9Å; F88-V206 HydrophobicContact CZ-CG1 3.92Å; L93-V206 HydrophobicContact CD2-CG2 4.29Å; F96-V206 HydrophobicContact CB-CG2 3.97Å; F96-V206 HydrophobicContact CD1-CG1 4.37Å; F96-V206 HydrophobicContact CD2-CB 4.25Å; F96-V206 HydrophobicContact CD2-CG1 3.68Å; F96-V206 HydrophobicContact CD2-CG2 3.62Å; F96-V206 HydrophobicContact CE1-CG1 4.33Å; F96-V206 HydrophobicContact CE2-CG1 3.61Å; F96-V206 HydrophobicContact CE2-CG2 4.35Å; F96-V206 HydrophobicContact CG-CB 4.43Å; F96-V206 HydrophobicContact CG-CG1 4.08Å; F96-V206 HydrophobicContact CG-CG2 3.93Å; F96-V206 HydrophobicContact CZ-CG1 3.96Å; F202-V206 HydrophobicContact CD1-CG2 4.02Å; F202-V206 HydrophobicContact CE1-CG2 3.92Å; F202-V206 VanDerWaalsContact O-CG2 3.29Å; F202-V206 WeakPolarHBondContact O-CG2 3.37Å; F202-V206 PolarHBondContact O-N 3.35Å; Q204-V206 PolarHBondContact O-N 2.83Å; V206-F208 VanDerWaalsContact C-N 3.3Å; V206-F208 PolarHBondContact O-N 3.12Å; V206-S209 PolarHBondContact O-N 3.34Å
207L53.3Low46.5Very low4 Ų472 Ų722%0.02136%0.358CS..Hα-helixtrans-65.5-32.4178.3-62.2171.5000112.9T75 K78 Q79 I82 Q204 L205T75-L207 HydrophobicContact CG2-CB 4.17Å; T75-L207 HydrophobicContact CG2-CD2 4.45Å; T75-L207 WeakPolarHBondContact CG2-O 3.31Å; T75-L207 PolarHBondContact OG1-O 3.42Å; K78-L207 HydrophobicContact CB-CD2 3.82Å; Q79-L207 HydrophobicContact CG-CD2 3.71Å; I82-L207 HydrophobicContact CD1-CD2 3.8Å; I82-L207 HydrophobicContact CD1-CG 4.31Å; Q204-L207 VanDerWaalsContact O-CB 3.28Å; Q204-L207 WeakPolarHBondContact O-CB 3.36Å; Q204-L207 PolarHBondContact O-N 2.64Å; Q204-L207 VanDerWaalsContact O-N 3.15Å; L205-L207 PolarHBondContact O-N 2.8Å
208F55.3Low46.1Very low13 Ų1366 Ų666%0.05733%0.326CS..Hα-helixtrans-84.2-19.9179.8-66.2-70.4000113.7S182 Y186 Q204 L205 V206 R210 V360S182-F208 WeakPolarHBondContact O-CD1 3.35Å; S182-F208 WeakPolarHBondContact O-CE1 3.32Å; Y186-F208 HydrophobicContact CD1-CE2 4.32Å; Y186-F208 AromaticContact CD1-CZ 3.87Å; Y186-F208 HydrophobicContact CD1-CZ 3.87Å; Y186-F208 AromaticContact CD2-CE1 3.99Å; Y186-F208 HydrophobicContact CD2-CE1 3.99Å; Y186-F208 AromaticContact CD2-CZ 3.94Å; Y186-F208 HydrophobicContact CD2-CZ 3.94Å; Y186-F208 HydrophobicContact CE1-CZ 4.12Å; Y186-F208 HydrophobicContact CE2-CE1 4.22Å; Y186-F208 HydrophobicContact CE2-CZ 4.18Å; Y186-F208 HydrophobicContact CG-CE1 4.23Å; Y186-F208 HydrophobicContact CG-CE2 4.29Å; Y186-F208 AromaticContact CG-CZ 3.76Å; Y186-F208 HydrophobicContact CG-CZ 3.76Å; Q204-F208 WeakPolarHBondContact O-CD2 3.44Å; L205-F208 HydrophobicContact CD2-CD2 4.42Å; L205-F208 PolarHBondContact O-N 2.72Å; V206-F208 VanDerWaalsContact C-N 3.3Å; V206-F208 PolarHBondContact O-N 3.12Å; F208-R210 PolarHBondContact O-N 3.31Å; F208-V360 HydrophobicContact CE1-CG1 4.16Å; F208-V360 HydrophobicContact CE1-CG2 3.6Å; F208-V360 HydrophobicContact CE2-CG1 4.13Å; F208-V360 HydrophobicContact CZ-CB 4.3Å; F208-V360 HydrophobicContact CZ-CG1 3.44Å; F208-V360 VanDerWaalsContact CZ-CG1 3.44Å; F208-V360 HydrophobicContact CZ-CG2 3.8Å
209S53.9Low45.2Very low3 Ų369.8 Ų69.82%0.02134%0.343CS..  trans-60.2126.4176.5167.10000111.4K78 T99 L205 V206 R211K78-S209 PolarHBondContact NZ-O 3.49Å; T99-S209 WeakPolarHBondContact CB-OG 3.32Å; T99-S209 WeakPolarHBondContact CG2-OG 3.42Å; L205-S209 PolarHBondContact O-N 2.92Å; V206-S209 PolarHBondContact O-N 3.34Å; S209-R211 VanDerWaalsContact C-N 3.26Å; S209-R211 PolarHBondContact O-N 2.87Å; S209-R211 PolarHBondContact OG-N 3.43Å
210R53.8Low44.6Very low87 Ų8767.4 Ų67.433%0.32834%0.337SS..  trans-81.15.7179.7-79.9-160.6-179-168.73.7115.1E70 L180 F208 S212E70-R210 IonicContact OE1-CZ 2.77Å; E70-R210 VanDerWaalsContact OE1-CZ 3.26Å; E70-R210 IonicContact OE1-NH1 3.57Å; E70-R210 PolarHBondContact OE1-NH1 3.1Å; E70-R210 IonicContact OE1-NH2 3.07Å; E70-R210 PolarHBondContact OE1-NH2 2.74Å; E70-R210 VanDerWaalsContact OE1-NH2 3.14Å; E70-R210 IonicContact OE2-NH2 3.88Å; L180-R210 HydrophobicContact CD2-CG 4.33Å; F208-R210 PolarHBondContact O-N 3.31Å; R210-S212 PolarHBondContact O-N 3.48Å
211R54.9Low44.5Very low95 Ų9566.6 Ų66.636%0.35833%0.33SS..  trans-56.6120.4171.9-169.6161.6178.6178.7-7.1108.2D95 T99 S209 I213 D214D95-R211 VanDerWaalsContact CB-NH1 3.25Å; D95-R211 IonicContact OD2-CZ 3.62Å; D95-R211 IonicContact OD2-NH1 3.76Å; D95-R211 PolarHBondContact OD2-NH1 2.93Å; D95-R211 IonicContact OD2-NH2 3.68Å; T99-R211 HydrophobicContact CG2-CB 4.13Å; S209-R211 VanDerWaalsContact C-N 3.26Å; S209-R211 PolarHBondContact O-N 2.87Å; S209-R211 PolarHBondContact OG-N 3.43Å; R211-I213 PolarHBondContact O-N 2.87Å; R211-D214 IonicContact NH2-OD2 3.86Å
212S44.1Very low43.7Very low27 Ų2766.9 Ų66.919%0.18933%0.331CS..  trans-61.2122.8167-560000103.9R210 D214 K232R210-S212 PolarHBondContact O-N 3.48Å; S212-D214 PolarHBondContact O-N 2.74Å; S212-K232 PolarHBondContact OG-NZ 2.91Å
213I44.9Very low43Very low22 Ų2271 Ų7111%0.11336%0.362CS..  trans-57.6108.7162.8-63168.6000102.3L77 K78 R211 S215 N230L77-I213 HydrophobicContact CB-CD1 3.93Å; K78-I213 HydrophobicContact CG-CD1 3.81Å; R211-I213 PolarHBondContact O-N 2.87Å; I213-S215 PolarHBondContact O-N 3.49Å; I213-N230 PolarHBondContact O-ND2 3.17Å
214D35.6Very low42.5Very low95 Ų9570.6 Ų70.651%0.50837%0.365SS..  trans-49.9144.7176-75.4-45.8000106.4R211 S212 E216R211-D214 IonicContact NH2-OD2 3.86Å; S212-D214 PolarHBondContact O-N 2.74Å; D214-E216 PolarHBondContact O-N 2.84Å
215S35.2Very low42.1Very low87 Ų8768.1 Ų68.161%0.60835%0.352SS*.SBendtrans-62.731.7-174.1-380000113.3I213 F217I213-S215 PolarHBondContact O-N 3.49Å; S215-F217 PolarHBondContact O-N 3.46Å
216E30.5Very low41.4Very low160 Ų16069.2 Ų69.275%0.74836%0.359SS*.  trans-62.693.1154.9-71.2-175.9172.600106.4D214 L218D214-E216 PolarHBondContact O-N 2.84Å; E216-L218 PolarHBondContact O-N 3.04Å; E216-L218 VanDerWaalsContact O-N 3.09Å
217F34.9Very low40.8Very low108 Ų10870.2 Ų70.247%0.47437%0.365SS..  trans-4.8108.7148.3-96.3-109000110.6S215 Q219S215-F217 PolarHBondContact O-N 3.46Å; F217-Q219 HydrophobicContact CB-CB 4.04Å; F217-Q219 HydrophobicContact CD1-CB 4.31Å; F217-Q219 PolarHBondContact O-N 3.31Å
218L34.7Very low40.6Very low21 Ų2170.7 Ų70.711%0.1137%0.367CS..BIsolated β-bridgetrans-69.166.2165-108.8155.3000107.2L77 R81 E216 Y228L77-L218 HydrophobicContact CD2-CD1 4.16Å; R81-L218 HydrophobicContact CG-CD2 4.25Å; E216-L218 PolarHBondContact O-N 3.04Å; E216-L218 VanDerWaalsContact O-N 3.09Å; L218-Y228 HydrophobicContact CB-CD2 4.2Å; L218-Y228 HydrophobicContact CD1-CD2 3.93Å; L218-Y228 HydrophobicContact CD1-CG 4.32Å; L218-Y228 HydrophobicContact CD2-CD2 4.44Å; L218-Y228 HydrophobicContact CG-CD2 4.42Å
219Q30.9Very low40Very low106 Ų10671.9 Ų71.950%0.49537%0.374SS..  trans-108.362.8178.1-166.2175.21.400106.6F217 E221F217-Q219 HydrophobicContact CB-CB 4.04Å; F217-Q219 HydrophobicContact CD1-CB 4.31Å; F217-Q219 PolarHBondContact O-N 3.31Å; Q219-E221 HydrophobicContact CG-CG 3.89Å; Q219-E221 PolarHBondContact NE2-OE1 3.23Å
220K29.1Very low39.4Very low154 Ų15473.2 Ų73.267%0.6738%0.381SS*.  trans-88.694.7146.2-92.4-172.5174.3-179.30105I222K220-I222 VanDerWaalsContact C-N 3.26Å; K220-I222 PolarHBondContact O-N 3.24Å
221E36.7Very low38.9Very low125 Ų12569.9 Ų69.958%0.58437%0.373SS*.  trans-58.891.4171.4-74.7177.8-178.900108.6Q219Q219-E221 HydrophobicContact CG-CG 3.89Å; Q219-E221 PolarHBondContact NE2-OE1 3.23Å
222I31.3Very low38Very low60 Ų6072.1 Ų72.131%0.30839%0.386SS..  trans-108.7121164.7-60.4172.9000104.9K220 G224 K225K220-I222 VanDerWaalsContact C-N 3.26Å; K220-I222 PolarHBondContact O-N 3.24Å; I222-G224 PolarHBondContact O-N 3.44Å; I222-G224 VanDerWaalsContact O-N 3.09Å; I222-K225 HydrophobicContact CB-CB 4.14Å; I222-K225 HydrophobicContact CB-CD 3.79Å; I222-K225 HydrophobicContact CB-CG 3.84Å; I222-K225 HydrophobicContact CD1-CD 3.72Å; I222-K225 HydrophobicContact CG1-CD 4.29Å; I222-K225 HydrophobicContact CG2-CD 3.95Å; I222-K225 HydrophobicContact CG2-CG 3.91Å; I222-K225 PolarHBondContact O-N 2.84Å
223P33.5Very low37.6Very low124 Ų12475.3 Ų75.381%0.80540%0.4SS*.THydrogen-bonded Turntrans-50.1120.8176.4-2532.6000110.1
224G37.9Very low36.9Very low65 Ų6580 Ų8067%0.6744%0.435SS*.THydrogen-bonded Turntrans88.24.6-179.400000116.7I222I222-G224 PolarHBondContact O-N 3.44Å; I222-G224 VanDerWaalsContact O-N 3.09Å
225K40.9Very low37.1Very low70 Ų7077.7 Ų77.730%0.30443%0.433SS..PPolyproline II helixtrans-100.2140.4171.5-66-163.5-174.5179.20112I222I222-K225 HydrophobicContact CB-CB 4.14Å; I222-K225 HydrophobicContact CB-CD 3.79Å; I222-K225 HydrophobicContact CB-CG 3.84Å; I222-K225 HydrophobicContact CD1-CD 3.72Å; I222-K225 HydrophobicContact CG1-CD 4.29Å; I222-K225 HydrophobicContact CG2-CD 3.95Å; I222-K225 HydrophobicContact CG2-CG 3.91Å; I222-K225 PolarHBondContact O-N 2.84Å
226P41Very low37.6Very low26 Ų2681.7 Ų81.717%0.16944%0.435CS..PPolyproline II helixtrans-73141.5-177.827.3-33000112.6V61 I63 Y228 F369V61-P226 WeakPolarHBondContact O-CA 3.47Å; V61-P226 WeakPolarHBondContact O-CB 3.37Å; I63-P226 HydrophobicContact CD1-CB 3.58Å; I63-P226 HydrophobicContact CD1-CG 4.01Å; I63-P226 HydrophobicContact CG1-CB 3.9Å; P226-Y228 HydrophobicContact CG-CE1 4.17Å; P226-Y228 HydrophobicContact CG-CE2 4.28Å; P226-Y228 WeakPolarHBondContact CG-OH 3.35Å; P226-Y228 WeakPolarHBondContact O-CD2 3.45Å; P226-Y228 WeakPolarHBondContact O-CE2 3.33Å; P226-F369 HydrophobicContact CG-CZ 4.11Å
227V44.2Very low38Very low22 Ų2283.2 Ų83.213%0.13344%0.439CS..EExtended strand (participates in β ladder)trans-87.5125.7173.8178.60000108.8L60 V61 I63L60-V227 HydrophobicContact CD1-CG2 4.26Å; V61-V227 PolarHBondContact O-N 3.39Å; V61-V227 VanDerWaalsContact O-N 3.12Å; I63-V227 PolarHBondContact N-O 3.32Å
228Y49.1Very low38.3Very low15 Ų1579.1 Ų79.16%0.05943%0.428CS..EExtended strand (participates in β ladder)trans-102.9125-177.3-52.5-85.4000112I63 L77 M80 N84 L218 P226I63-Y228 HydrophobicContact CB-CD1 4.38Å; I63-Y228 HydrophobicContact CD1-CE1 4.43Å; I63-Y228 WeakPolarHBondContact O-CA 3.28Å; L77-Y228 VanDerWaalsContact CD2-CB 3.41Å; L77-Y228 HydrophobicContact CD2-CD1 4.01Å; L77-Y228 HydrophobicContact CD2-CG 3.78Å; M80-Y228 HydrophobicContact CB-CE1 4.17Å; M80-Y228 HydrophobicContact CB-CE2 4.29Å; M80-Y228 HydrophobicContact CG-CE1 3.81Å; M80-Y228 HydrophobicContact SD-CE1 4.23Å; N84-Y228 PolarHBondContact ND2-OH 2.76Å; L218-Y228 HydrophobicContact CB-CD2 4.2Å; L218-Y228 HydrophobicContact CD1-CD2 3.93Å; L218-Y228 HydrophobicContact CD1-CG 4.32Å; L218-Y228 HydrophobicContact CD2-CD2 4.44Å; L218-Y228 HydrophobicContact CG-CD2 4.42Å; P226-Y228 HydrophobicContact CG-CE1 4.17Å; P226-Y228 HydrophobicContact CG-CE2 4.28Å; P226-Y228 WeakPolarHBondContact CG-OH 3.35Å; P226-Y228 WeakPolarHBondContact O-CD2 3.45Å; P226-Y228 WeakPolarHBondContact O-CE2 3.33Å
229L43.3Very low38.9Very low38 Ų3880.4 Ų80.420%0.19943%0.431CS..EExtended strand (participates in β ladder)trans-105124.9176-67.3171000110.3I63 L64 L65I63-L229 PolarHBondContact O-N 2.82Å; L64-L229 HydrophobicContact CD1-CB 3.41Å; L64-L229 VanDerWaalsContact CD1-CB 3.41Å; L64-L229 HydrophobicContact CD1-CD1 4.31Å; L65-L229 PolarHBondContact N-O 3.38Å
230N41Very low39.5Very low30 Ų3079.5 Ų79.516%0.1643%0.426CS..EExtended strand (participates in β ladder)trans-92.6110.7176-165.67.8000109.7L77 I213 K232L77-N230 HydrophobicContact CD1-CB 3.92Å; I213-N230 PolarHBondContact O-ND2 3.17Å; N230-K232 PolarHBondContact O-N 3.18Å
231G42.5Very low40.2Very low17 Ų1780.7 Ų80.718%0.17543%0.434CS..  trans-77.450.6-17600000115L233G231-L233 VanDerWaalsContact C-N 3.25Å; G231-L233 PolarHBondContact O-N 3.3Å
232K36Very low40.5Very low142 Ų14283.3 Ų83.362%0.61744%0.439SS*.  trans-94.252.9169.8-146.5-172.9-175.2-168.40110.1S212 N230S212-K232 PolarHBondContact OG-NZ 2.91Å; N230-K232 PolarHBondContact O-N 3.18Å
233L35.4Very low41.3Very low94 Ų9482.3 Ų82.349%0.49243%0.432SS..  trans-87.3130.7171.3-85.5140.4000108.5G231 G235G231-L233 VanDerWaalsContact C-N 3.25Å; G231-L233 PolarHBondContact O-N 3.3Å; L233-G235 PolarHBondContact O-N 3.2Å
234S31.8Very low41.5Very low121 Ų12183 Ų8385%0.84643%0.429SS*.SBendtrans-47.793.7167.335.10000110.6
235G38.5Very low41.4Very low46 Ų4689.3 Ų89.347%0.47444%0.438SS..SBendtrans87.1146.1173.800000116.4L233 K237 G238L233-G235 PolarHBondContact O-N 3.2Å; G235-K237 PolarHBondContact O-N 2.97Å; G235-G238 PolarHBondContact O-N 3.3Å; G235-G238 VanDerWaalsContact O-N 3.16Å
236R46.1Very low41.2Very low172 Ų17286.5 Ų86.565%0.64943%0.426SS*.G310 helixtrans-56.6-23-179.3-60178.6-167.3168.94.6113.5F240R236-F240 WeakPolarHBondContact O-CD2 3.38Å; R236-F240 VanDerWaalsContact O-CE2 3.24Å; R236-F240 WeakPolarHBondContact O-CE2 3.24Å
237K39.6Very low41Very low191 Ų19186 Ų8683%0.8342%0.423SS*.G310 helixtrans-70.7-30-179.9-68.6-175.7177.4-179.20113.1G235 W239G235-K237 PolarHBondContact O-N 2.97Å; K237-W239 VanDerWaalsContact C-N 3.34Å; K237-W239 PolarHBondContact O-N 2.89Å
238G41Very low40.5Very low23 Ų2385 Ų8524%0.23742%0.417CS..G310 helixtrans-78-14.4-177.300000114.9G235 F240G235-G238 PolarHBondContact O-N 3.3Å; G235-G238 VanDerWaalsContact O-N 3.16Å; G238-F240 VanDerWaalsContact C-N 3.34Å; G238-F240 PolarHBondContact O-N 3.15Å
239W45.9Very low40Very low47 Ų4784.3 Ų84.318%0.17841%0.414CS..SBendtrans-64.2-44.2179.8-63.4-1.8000110L66 K237 Q241 R242 F243 I286L66-W239 HydrophobicContact CD2-CD2 4.4Å; L66-W239 HydrophobicContact CD2-CE3 4.23Å; L66-W239 HydrophobicContact CD2-CZ3 4.34Å; K237-W239 VanDerWaalsContact C-N 3.34Å; K237-W239 PolarHBondContact O-N 2.89Å; W239-Q241 VanDerWaalsContact C-N 3.3Å; W239-Q241 PolarHBondContact O-N 3.45Å; W239-R242 PolarHBondContact O-N 3.04Å; W239-F243 HydrophobicContact CB-CE2 3.86Å; W239-F243 HydrophobicContact CB-CZ 4.36Å; W239-F243 WeakPolarHBondContact O-CD2 3.02Å; W239-F243 WeakPolarHBondContact O-CE2 3.41Å; W239-I286 HydrophobicContact CZ3-CD1 4.23Å
240F45.2Very low39.8Very low87 Ų8782.7 Ų82.738%0.38241%0.406SS..G310 helixtrans-64.5-24.8-167.1-63-69.7000115.3R236 G238 R242 N289 L291R236-F240 WeakPolarHBondContact O-CD2 3.38Å; R236-F240 VanDerWaalsContact O-CE2 3.24Å; R236-F240 WeakPolarHBondContact O-CE2 3.24Å; G238-F240 VanDerWaalsContact C-N 3.34Å; G238-F240 PolarHBondContact O-N 3.15Å; F240-R242 VanDerWaalsContact C-N 3.34Å; F240-R242 PolarHBondContact O-N 3.41Å; F240-N289 VanDerWaalsContact CE1-ND2 3.35Å; F240-N289 WeakPolarHBondContact CE1-ND2 3.49Å; F240-L291 HydrophobicContact CD1-CD1 3.67Å; F240-L291 HydrophobicContact CE1-CD1 4.32Å
241Q43.6Very low39.5Very low179 Ų17981.3 Ų81.384%0.83640%0.398SS*.G310 helixtrans-78.5-7.9-174-70-177.6-8.500114.8W239W239-Q241 VanDerWaalsContact C-N 3.3Å; W239-Q241 PolarHBondContact O-N 3.45Å
242R43Very low39.2Very low181 Ų18180.6 Ų80.668%0.68339%0.391SS*.G310 helixtrans-111.45.7-176.4-145.775.4-178.7160.50.6114.7W239 F240 N244W239-R242 PolarHBondContact O-N 3.04Å; F240-R242 VanDerWaalsContact C-N 3.34Å; F240-R242 PolarHBondContact O-N 3.41Å; R242-N244 PolarHBondContact O-N 3.26Å
243F47.9Very low39.2Very low38 Ų3874.1 Ų74.117%0.16736%0.362CS..  trans-9682.6-169.1-71.7-75.6000114.5L64 W239 F292L64-F243 HydrophobicContact CD2-CD1 4.29Å; L64-F243 HydrophobicContact CD2-CE1 3.13Å; L64-F243 HydrophobicContact CD2-CZ 3.39Å; W239-F243 HydrophobicContact CB-CE2 3.86Å; W239-F243 HydrophobicContact CB-CZ 4.36Å; W239-F243 WeakPolarHBondContact O-CD2 3.02Å; W239-F243 WeakPolarHBondContact O-CE2 3.41Å; F243-F292 AromaticContact CD1-CE1 3.53Å; F243-F292 HydrophobicContact CD1-CE1 3.53Å; F243-F292 AromaticContact CD1-CZ 3.98Å; F243-F292 HydrophobicContact CD1-CZ 3.98Å; F243-F292 HydrophobicContact CD2-CE1 4.44Å; F243-F292 HydrophobicContact CD2-CZ 4.24Å; F243-F292 AromaticContact CE1-CE1 3.44Å; F243-F292 HydrophobicContact CE1-CE1 3.44Å; F243-F292 VanDerWaalsContact CE1-CE1 3.44Å; F243-F292 AromaticContact CE1-CZ 3.55Å; F243-F292 HydrophobicContact CE1-CZ 3.55Å; F243-F292 HydrophobicContact CE2-CE1 4.37Å; F243-F292 AromaticContact CE2-CZ 3.85Å; F243-F292 HydrophobicContact CE2-CZ 3.85Å; F243-F292 HydrophobicContact CG-CE1 4.03Å; F243-F292 HydrophobicContact CG-CZ 4.29Å; F243-F292 AromaticContact CZ-CE1 3.93Å; F243-F292 HydrophobicContact CZ-CE1 3.93Å; F243-F292 AromaticContact CZ-CZ 3.52Å; F243-F292 HydrophobicContact CZ-CZ 3.52Å
244N36.8Very low39Very low138 Ų13869.8 Ų69.874%0.73834%0.34SS*.SBendtrans-121.4117.1156.5-98.9-39.3000109.7R242R242-N244 PolarHBondContact O-N 3.26Å
245K36Very low38.9Very low199 Ų19964.7 Ų64.787%0.86530%0.304SS*.SBendtrans55.568.3176.5-57.1-172.1177.7-167.80114.3
246V37.1Very low38.7Very low10 Ų1063 Ų636%0.06128%0.283CS..  trans-124.8132177-176.10000109.6K62 L64 V295K62-V246 HydrophobicContact CB-CB 4.27Å; K62-V246 HydrophobicContact CB-CG1 3.92Å; K62-V246 HydrophobicContact CB-CG2 4.07Å; K62-V246 HydrophobicContact CD-CG2 4.04Å; L64-V246 HydrophobicContact CB-CG1 3.67Å; V246-V295 WeakPolarHBondContact O-CG1 3.48Å; V246-V295 VanDerWaalsContact O-CG2 3.25Å; V246-V295 WeakPolarHBondContact O-CG2 3.27Å
247T36Very low38Very low16 Ų1656.5 Ų56.510%0.09826%0.263CS..EExtended strand (participates in β ladder)trans-79.4125.1169.5-490000108.5K62 I63 L64 I376K62-T247 WeakPolarHBondContact O-CA 3.26Å; K62-T247 WeakPolarHBondContact O-CB 2.82Å; K62-T247 PolarHBondContact O-N 3.35Å; I63-T247 VanDerWaalsContact CA-O 3.32Å; I63-T247 WeakPolarHBondContact CA-O 2.93Å; L64-T247 PolarHBondContact N-O 2.74Å; T247-I376 HydrophobicContact CG2-CD1 3.79Å; T247-I376 HydrophobicContact CG2-CG1 3.9Å; T247-I376 HydrophobicContact CG2-CG2 4.33Å
248N34.5Very low37.4Very low0 Ų051.3 Ų51.30%024%0.239CC..EExtended strand (participates in β ladder)trans-102.3122.8-172.7-74.9-22000111.1L64 F292 V295 S296 I297 I298L64-N248 VanDerWaalsContact CB-OD1 3.28Å; L64-N248 WeakPolarHBondContact CB-OD1 3.13Å; L64-N248 WeakPolarHBondContact CD2-OD1 3.5Å; N248-F292 WeakPolarHBondContact ND2-CD1 3.1Å; N248-F292 WeakPolarHBondContact ND2-CE1 3.05Å; N248-V295 HydrophobicContact CB-CG1 3.76Å; N248-V295 VanDerWaalsContact N-CG1 3.33Å; N248-S296 PolarHBondContact N-O 3.35Å; N248-I297 WeakPolarHBondContact O-CA 2.95Å; N248-I298 PolarHBondContact O-N 2.92Å
249V38.8Very low37.2Very low2 Ų252.9 Ų52.91%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-104.7110.4172.9173.70000107.6I63 L64 L65 L66 F300I63-V249 HydrophobicContact CG2-CB 3.89Å; I63-V249 HydrophobicContact CG2-CG2 3.51Å; L64-V249 CarbonylContact O-C 3.56Å; L64-V249 WeakPolarHBondContact O-CA 3.4Å; L64-V249 PolarHBondContact O-N 3.04Å; L65-V249 WeakPolarHBondContact CA-O 3.47Å; L65-V249 HydrophobicContact CD2-CB 3.96Å; L65-V249 HydrophobicContact CD2-CG1 3.64Å; L66-V249 PolarHBondContact N-O 2.74Å; L66-V249 VanDerWaalsContact N-O 3.1Å; V249-F300 HydrophobicContact CG1-CD2 3.46Å; V249-F300 VanDerWaalsContact CG1-CD2 3.46Å; V249-F300 HydrophobicContact CG1-CE2 3.08Å; V249-F300 HydrophobicContact CG1-CZ 3.92Å
250L39.4Very low36.5Very low3 Ų357.7 Ų57.72%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-102.9112.7-174-162147.2000109.4L66 V252 F283 I286 I297 I298 L299 F300L66-L250 HydrophobicContact CB-CD1 4.34Å; L66-L250 HydrophobicContact CB-CG 4.17Å; L250-V252 HydrophobicContact CD2-CG2 3.61Å; L250-F283 HydrophobicContact CD1-CD2 4.03Å; L250-F283 HydrophobicContact CD2-CB 4.41Å; L250-F283 HydrophobicContact CD2-CD2 3.64Å; L250-F283 HydrophobicContact CD2-CE2 4.46Å; L250-F283 HydrophobicContact CG-CD2 4.35Å; L250-I286 HydrophobicContact CD1-CB 3.78Å; L250-I286 HydrophobicContact CD1-CD1 3.41Å; L250-I286 VanDerWaalsContact CD1-CD1 3.41Å; L250-I286 HydrophobicContact CD1-CG1 4.18Å; L250-I286 HydrophobicContact CD1-CG2 3.56Å; L250-I297 HydrophobicContact CB-CG2 4.26Å; L250-I298 CarbonylContact C-O 3.4Å; L250-I298 PolarHBondContact N-O 3.45Å; L250-L299 HydrophobicContact CD2-CD1 4.48Å; L250-L299 WeakPolarHBondContact O-CA 3.06Å; L250-F300 PolarHBondContact O-N 2.78Å
251R35.3Very low35.6Very low1 Ų155.3 Ų55.30%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-99.1109.7-178.4-170.1159.1-167.6103.3-2.1110.2L66 F300 N302 T357L66-R251 PolarHBondContact O-N 2.65Å; R251-F300 HydrophobicContact CB-CB 4.05Å; R251-F300 HydrophobicContact CB-CD2 4.32Å; R251-F300 HydrophobicContact CG-CB 3.7Å; R251-F300 HydrophobicContact CG-CD2 4.43Å; R251-F300 VanDerWaalsContact NH1-CD2 3.26Å; R251-F300 VanDerWaalsContact NH1-CG 3.31Å; R251-N302 HydrophobicContact CG-CB 4.2Å; R251-N302 VanDerWaalsContact NE-CG 3.31Å; R251-N302 PolarHBondContact NE-ND2 3.07Å; R251-N302 PolarHBondContact NH2-OD1 3Å; R251-T357 PolarHBondContact NH1-OG1 3.42Å; R251-T357 VanDerWaalsContact NH2-CB 3.28Å; R251-T357 PolarHBondContact NH2-OG1 3.44Å
252V36.1Very low34.8Very low3 Ų347.7 Ų47.72%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-89.3141.8171.9167.20000109.8L250 L299 F300 N302 F341L250-V252 HydrophobicContact CD2-CG2 3.61Å; V252-L299 HydrophobicContact CB-CD1 3.53Å; V252-L299 HydrophobicContact CG1-CD1 4.46Å; V252-L299 HydrophobicContact CG2-CD1 3.19Å; V252-F300 CarbonylContact C-O 3.48Å; V252-F300 WeakPolarHBondContact CA-O 3.39Å; V252-F300 PolarHBondContact N-O 3.42Å; V252-N302 PolarHBondContact O-N 3.45Å; V252-F341 HydrophobicContact CB-CE1 4.23Å; V252-F341 HydrophobicContact CB-CZ 4.13Å; V252-F341 HydrophobicContact CG1-CE1 3.69Å; V252-F341 HydrophobicContact CG1-CE2 3.6Å; V252-F341 HydrophobicContact CG1-CZ 3.13Å; V252-F341 HydrophobicContact CG2-CD1 4.16Å; V252-F341 HydrophobicContact CG2-CE1 3.55Å; V252-F341 HydrophobicContact CG2-CZ 3.95Å
253R36.3Very low34Very low5 Ų539.4 Ų39.42%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-85.3129178.7177.6-175.7-178.7112-15.4109.5E70 Q265E70-R253 PolarHBondContact O-NH1 3.21Å; E70-R253 IonicContact OE2-NH1 3.05Å; E70-R253 IonicContact OE2-NH2 3.09Å; R253-Q265 VanDerWaalsContact CZ-OE1 3.22Å; R253-Q265 VanDerWaalsContact NE-OE1 3.08Å; R253-Q265 VanDerWaalsContact NH2-NE2 3.18Å
254S30.1Very low32.9Very low4 Ų439.2 Ų39.23%0.02820%0.2CC..PPolyproline II helixtrans-80.2121.1153.4-164.40000109.4N302S254-N302 WeakPolarHBondContact CA-O 3.34Å; S254-N302 WeakPolarHBondContact CB-O 3.28Å; S254-N302 PolarHBondContact N-O 3.22Å
255T30.3Very low32.4Very low13 Ų1333.1 Ų33.18%0.0817%0.167CC..  trans13.1134.4165.273.20000121.1C263 K310T255-C263 WeakPolarHBondContact CG2-SG 3.35Å; T255-K310 VanDerWaalsContact CB-NZ 3.31Å; T255-K310 PolarHBondContact O-NZ 3.19Å; T255-K310 PolarHBondContact OG1-NZ 2.99Å
256R33.4Very low31.9Very low12 Ų1223.9 Ų23.95%0.04513%0.127CC..  trans-117.5157149.6-77.8-168-171.3144.28.1109.8E70 Q265E70-R256 IonicContact OE2-CZ 3.67Å; E70-R256 IonicContact OE2-NH1 3.69Å; E70-R256 PolarHBondContact OE2-NH1 3.3Å; E70-R256 IonicContact OE2-NH2 2.88Å; R256-Q265 HydrophobicContact CB-CG 4.29Å; R256-Q265 WeakPolarHBondContact O-CB 3.44Å
257P32.5Very low31.4Very low34 Ų3425.3 Ų25.322%0.22113%0.134CC..PPolyproline II helixtrans-90137.2-170.532.9-30.8000112.3S175S175-P257 CarbonylContact C-O 3.6Å; S175-P257 WeakPolarHBondContact CA-O 3.39Å; S175-P257 WeakPolarHBondContact CB-O 3.43Å; S175-P257 VanDerWaalsContact O-O 3.12Å
258Y26.9Very low31Very low82 Ų8231.7 Ų31.732%0.32217%0.165SC..PPolyproline II helixtrans-87.9159.3137.3-118.5-113.1000107.5E260 V264 V266Y258-E260 PolarHBondContact O-N 3.07Å; Y258-V264 WeakPolarHBondContact CB-O 3.45Å; Y258-V264 HydrophobicContact CD1-CG1 4.49Å; Y258-V264 HydrophobicContact CD2-CG1 4.49Å; Y258-V264 HydrophobicContact CG-CG1 4.07Å; Y258-V264 PolarHBondContact N-O 3.47Å; Y258-V266 HydrophobicContact CD2-CB 4.38Å; Y258-V266 HydrophobicContact CD2-CG2 4.08Å; Y258-V266 HydrophobicContact CE2-CB 3.9Å; Y258-V266 HydrophobicContact CE2-CG2 3.79Å
259P36Very low30.9Very low57 Ų5740.4 Ų40.437%0.3721%0.206SC..SBendtrans-63.7138.8167.933.4-35.4000107.3E176E176-P259 HydrophobicContact CG-CB 4.38Å; E176-P259 HydrophobicContact CG-CG 3.71Å
260E31.7Very low30.6Very low148 Ų14843.3 Ų43.369%0.69222%0.221SC*.SBendtrans69.8122.5-178.3-52.8-179.5166.200113.5Y258Y258-E260 PolarHBondContact O-N 3.07Å
261C26.1Very low30.6Very low36 Ų3653.3 Ų53.324%0.24326%0.259CS..SBendtrans87.9114.6167.1-40.80000113.2C263 V264 K318 N319C261-C263 PolarHBondContact O-N 3.39Å; C261-V264 HydrophobicContact CB-CG2 4.26Å; C261-V264 PolarHBondContact O-N 2.95Å; C261-K318 HydrophobicContact CB-CB 3.55Å; C261-K318 HydrophobicContact CB-CD 4.23Å; C261-N319 WeakPolarHBondContact CA-OD1 3.09Å; C261-N319 VanDerWaalsContact CB-CG 3.46Å; C261-N319 WeakPolarHBondContact CB-ND2 3.41Å; C261-N319 WeakPolarHBondContact CB-OD1 3.49Å; C261-N319 PolarHBondContact O-OD1 3.28Å
262V26.4Very low31.2Very low20 Ų2064 Ų6412%0.12130%0.299CS..THydrogen-bonded Turntrans-60.7102.8169.1163.40000108.3V314 D315 I316 N319V262-V314 HydrophobicContact CB-CG1 4.25Å; V262-V314 HydrophobicContact CG2-CB 3.45Å; V262-V314 VanDerWaalsContact CG2-CB 3.45Å; V262-V314 HydrophobicContact CG2-CG1 3.47Å; V262-V314 VanDerWaalsContact CG2-CG1 3.47Å; V262-V314 WeakPolarHBondContact CG2-O 3.41Å; V262-D315 WeakPolarHBondContact CB-O 3.39Å; V262-D315 WeakPolarHBondContact CG2-O 3.3Å; V262-D315 PolarHBondContact N-O 2.82Å; V262-I316 VanDerWaalsContact CB-CA 3.42Å; V262-I316 HydrophobicContact CB-CB 4.13Å; V262-I316 HydrophobicContact CB-CG1 4.42Å; V262-I316 HydrophobicContact CG1-CB 3.67Å; V262-I316 HydrophobicContact CG1-CD1 4.03Å; V262-I316 HydrophobicContact CG1-CG1 3.61Å; V262-I316 HydrophobicContact CG2-CB 4.44Å; V262-N319 WeakPolarHBondContact CA-OD1 3.36Å; V262-N319 PolarHBondContact N-OD1 3.07Å; V262-N319 WeakPolarHBondContact O-CB 3.38Å; V262-N319 PolarHBondContact O-OD1 3Å
263C26.9Very low32Very low6 Ų666.7 Ų66.74%0.04132%0.315CS..THydrogen-bonded Turntrans99.153.9-178.9-49.80000114T255 C261 N274 L276 N319 F320T255-C263 WeakPolarHBondContact CG2-SG 3.35Å; C261-C263 PolarHBondContact O-N 3.39Å; C263-N274 WeakPolarHBondContact CB-ND2 2.84Å; C263-N274 WeakPolarHBondContact CB-OD1 3.05Å; C263-N274 VanDerWaalsContact O-CB 3.26Å; C263-N274 WeakPolarHBondContact O-CB 3.24Å; C263-N274 PolarHBondContact O-ND2 2.72Å; C263-N274 PolarHBondContact O-OD1 2.87Å; C263-L276 HydrophobicContact CB-CB 4.27Å; C263-L276 HydrophobicContact CB-CD2 4.42Å; C263-L276 WeakPolarHBondContact SG-CD2 3.21Å; C263-N319 HydrophobicContact CB-CB 3.99Å; C263-N319 PolarHBondContact O-ND2 2.94Å; C263-F320 HydrophobicContact CB-CD2 4.37Å; C263-F320 HydrophobicContact CB-CE2 3.45Å; C263-F320 VanDerWaalsContact CB-CE2 3.45Å; C263-F320 HydrophobicContact CB-CZ 4.16Å; C263-F320 VanDerWaalsContact SG-CE2 3.52Å
264V23.9Very low33.3Very low35 Ų3567.5 Ų67.521%0.21232%0.32CS..  trans-113.4112.5142-173.40000106.7Y258 C261 V266 N319Y258-V264 WeakPolarHBondContact CB-O 3.45Å; Y258-V264 HydrophobicContact CD1-CG1 4.49Å; Y258-V264 HydrophobicContact CD2-CG1 4.49Å; Y258-V264 HydrophobicContact CG-CG1 4.07Å; Y258-V264 PolarHBondContact N-O 3.47Å; C261-V264 HydrophobicContact CB-CG2 4.26Å; C261-V264 PolarHBondContact O-N 2.95Å; V264-V266 HydrophobicContact CG1-CG2 3.81Å; V264-N319 WeakPolarHBondContact CG2-ND2 3.45Å
265Q27.1Very low34.8Very low10 Ų1068.2 Ų68.25%0.04732%0.322CS..  trans-134.5126151.3-167-163.3-3.900106.7R253 R256 T273 N274 R275R253-Q265 VanDerWaalsContact CZ-OE1 3.22Å; R253-Q265 VanDerWaalsContact NE-OE1 3.08Å; R253-Q265 VanDerWaalsContact NH2-NE2 3.18Å; R256-Q265 HydrophobicContact CB-CG 4.29Å; R256-Q265 WeakPolarHBondContact O-CB 3.44Å; Q265-T273 CarbonylContact C-O 3.39Å; Q265-N274 CarbonylContact O-C 3.22Å; Q265-R275 HydrophobicContact CB-CB 4.06Å; Q265-R275 HydrophobicContact CB-CG 4.23Å; Q265-R275 WeakPolarHBondContact O-CA 3.46Å; Q265-R275 WeakPolarHBondContact O-CB 3.22Å; Q265-R275 WeakPolarHBondContact O-CG 3.26Å; Q265-R275 PolarHBondContact O-N 3.31Å
266V26Very low36.8Very low4 Ų467.9 Ų67.92%0.02432%0.32CS..  trans-88.3145.1-170.2163.50000111Y258 V264 D270 R271 T273 R275Y258-V266 HydrophobicContact CD2-CB 4.38Å; Y258-V266 HydrophobicContact CD2-CG2 4.08Å; Y258-V266 HydrophobicContact CE2-CB 3.9Å; Y258-V266 HydrophobicContact CE2-CG2 3.79Å; V264-V266 HydrophobicContact CG1-CG2 3.81Å; V266-D270 WeakPolarHBondContact CG1-O 3.37Å; V266-R271 HydrophobicContact CG1-CB 4.03Å; V266-R271 HydrophobicContact CG1-CG 4.16Å; V266-R271 WeakPolarHBondContact CG1-O 3.42Å; V266-R271 WeakPolarHBondContact CG2-O 3.39Å; V266-T273 WeakPolarHBondContact CA-O 3.47Å; V266-R275 PolarHBondContact O-NE 2.86Å; V266-R275 PolarHBondContact O-NH2 2.9Å
267L24.7Very low38.7Very low40 Ų4070 Ų7021%0.20933%0.334CS..  trans-66.2160.6179.9-93.3160.2000112.2E269 D270 E278L267-E269 PolarHBondContact O-N 2.9Å; L267-D270 WeakPolarHBondContact CA-O 3.17Å; L267-D270 HydrophobicContact CB-CB 4.11Å; L267-D270 WeakPolarHBondContact CB-O 3.06Å; L267-D270 HydrophobicContact CD1-CB 4.29Å; L267-D270 PolarHBondContact N-O 3.14Å; L267-E278 HydrophobicContact CD1-CG 4.48Å; L267-E278 WeakPolarHBondContact CD2-OE1 3.47Å; L267-E278 WeakPolarHBondContact CD2-OE2 3.2Å; L267-E278 WeakPolarHBondContact CG-OE2 3.32Å
268M29.1Very low40.6Very low150 Ų15069.8 Ų69.874%0.73933%0.33SS*.SBendtrans-67.9-23165.9-83-87.3-167.900111.2
269E32.5Very low42.8Very low183 Ų18366.2 Ų66.286%0.85532%0.317SS*.SBendtrans-102.5-22.2-176-65.3169.7-176.200112.9L267L267-E269 PolarHBondContact O-N 2.9Å
270D31.5Very low44.8Very low64 Ų6464 Ų6434%0.34230%0.302SS..  trans-142.1124.1-175.7174.911.4000110.5V266 L267 R272 T273V266-D270 WeakPolarHBondContact CG1-O 3.37Å; L267-D270 WeakPolarHBondContact CA-O 3.17Å; L267-D270 HydrophobicContact CB-CB 4.11Å; L267-D270 WeakPolarHBondContact CB-O 3.06Å; L267-D270 HydrophobicContact CD1-CB 4.29Å; L267-D270 PolarHBondContact N-O 3.14Å; D270-R272 VanDerWaalsContact C-N 3.31Å; D270-R272 PolarHBondContact O-N 3.37Å; D270-R272 PolarHBondContact OD1-N 3.48Å; D270-R272 VanDerWaalsContact OD1-N 3.17Å; D270-T273 PolarHBondContact OD2-OG1 2.93Å
271R39.8Very low47.1Very low212 Ų21260.5 Ų60.580%0.829%0.288SS*.SBendtrans-78.90.1-172.5-79-169.5-171.9176.94.7115.8V266V266-R271 HydrophobicContact CG1-CB 4.03Å; V266-R271 HydrophobicContact CG1-CG 4.16Å; V266-R271 WeakPolarHBondContact CG1-O 3.42Å; V266-R271 WeakPolarHBondContact CG2-O 3.39Å
272R48.1Very low49.5Very low227 Ų22760 Ų6086%0.85728%0.283SS*.SBendtrans-122.5-18.7-166.2-65.6-178.6174.5179.4-1.9116D270D270-R272 VanDerWaalsContact C-N 3.31Å; D270-R272 PolarHBondContact O-N 3.37Å; D270-R272 PolarHBondContact OD1-N 3.48Å; D270-R272 VanDerWaalsContact OD1-N 3.17Å
273T53.4Low52.1Low58 Ų5859 Ų5936%0.35628%0.277SS..  trans-89.9137.1-169.321.60000113.7Q265 V266 D270 R275Q265-T273 CarbonylContact C-O 3.39Å; V266-T273 WeakPolarHBondContact CA-O 3.47Å; D270-T273 PolarHBondContact OD2-OG1 2.93Å; T273-R275 PolarHBondContact O-N 2.75Å
274N62.5Low54.8Low23 Ų2361.9 Ų61.912%0.12329%0.289CS..  trans-71.2119.4173.3169.8-7.7000111.4C263 Q265 L276 V277 E278C263-N274 WeakPolarHBondContact CB-ND2 2.84Å; C263-N274 WeakPolarHBondContact CB-OD1 3.05Å; C263-N274 VanDerWaalsContact O-CB 3.26Å; C263-N274 WeakPolarHBondContact O-CB 3.24Å; C263-N274 PolarHBondContact O-ND2 2.72Å; C263-N274 PolarHBondContact O-OD1 2.87Å; Q265-N274 CarbonylContact O-C 3.22Å; N274-L276 VanDerWaalsContact C-N 3.31Å; N274-L276 PolarHBondContact O-N 2.86Å; N274-L276 WeakPolarHBondContact OD1-CA 3.49Å; N274-L276 WeakPolarHBondContact OD1-CB 3.35Å; N274-L276 PolarHBondContact OD1-N 3.16Å; N274-V277 HydrophobicContact CB-CB 4.13Å; N274-V277 HydrophobicContact CB-CG2 4.04Å; N274-V277 WeakPolarHBondContact ND2-CG2 3.24Å; N274-V277 WeakPolarHBondContact O-CB 3.48Å; N274-V277 PolarHBondContact O-N 3.39Å; N274-V277 VanDerWaalsContact O-N 3.12Å; N274-V277 PolarHBondContact OD1-N 3.07Å; N274-E278 PolarHBondContact O-N 2.97Å
275R62.4Low57.5Low18 Ų1864.6 Ų64.67%0.06831%0.306CS..Hα-helixtrans-65-25.2-179.9-90.7174.7-152.1-116.88.5115.5Q265 V266 T273 S279Q265-R275 HydrophobicContact CB-CB 4.06Å; Q265-R275 HydrophobicContact CB-CG 4.23Å; Q265-R275 WeakPolarHBondContact O-CA 3.46Å; Q265-R275 WeakPolarHBondContact O-CB 3.22Å; Q265-R275 WeakPolarHBondContact O-CG 3.26Å; Q265-R275 PolarHBondContact O-N 3.31Å; V266-R275 PolarHBondContact O-NE 2.86Å; V266-R275 PolarHBondContact O-NH2 2.9Å; T273-R275 PolarHBondContact O-N 2.75Å; R275-S279 WeakPolarHBondContact O-CB 3.46Å; R275-S279 PolarHBondContact O-N 3.11Å; R275-S279 PolarHBondContact O-OG 2.7Å
276L71.1Confident59.8Low7 Ų764.5 Ų64.54%0.03731%0.306CS..Hα-helixtrans-69.8-43.6173-177.464000109.3C263 N274 E278 S279 M280 F320 L337 F341C263-L276 HydrophobicContact CB-CB 4.27Å; C263-L276 HydrophobicContact CB-CD2 4.42Å; C263-L276 WeakPolarHBondContact SG-CD2 3.21Å; N274-L276 VanDerWaalsContact C-N 3.31Å; N274-L276 PolarHBondContact O-N 2.86Å; N274-L276 WeakPolarHBondContact OD1-CA 3.49Å; N274-L276 WeakPolarHBondContact OD1-CB 3.35Å; N274-L276 PolarHBondContact OD1-N 3.16Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 2.83Å; L276-S279 WeakPolarHBondContact O-CB 3.49Å; L276-S279 PolarHBondContact O-N 3.14Å; L276-M280 HydrophobicContact CD1-CE 4.37Å; L276-M280 HydrophobicContact CD2-CE 4.1Å; L276-M280 HydrophobicContact CG-CE 3.91Å; L276-M280 WeakPolarHBondContact O-CG 3.29Å; L276-M280 PolarHBondContact O-N 2.68Å; L276-F320 HydrophobicContact CD2-CE2 3.79Å; L276-F320 HydrophobicContact CD2-CZ 3.67Å; L276-F320 HydrophobicContact CG-CZ 4.27Å; L276-L337 HydrophobicContact CD1-CD2 4.34Å; L276-L337 HydrophobicContact CD2-CD2 3.49Å; L276-L337 VanDerWaalsContact CD2-CD2 3.49Å; L276-F341 HydrophobicContact CD1-CE2 3.98Å; L276-F341 HydrophobicContact CD1-CZ 4Å
277V74.4Confident62.4Low55 Ų5565.6 Ų65.633%0.33331%0.313SS..Hα-helixtrans-61.7-42.4172.2172.50000110.8N274 S279 M280 N281 F320N274-V277 HydrophobicContact CB-CB 4.13Å; N274-V277 HydrophobicContact CB-CG2 4.04Å; N274-V277 WeakPolarHBondContact ND2-CG2 3.24Å; N274-V277 WeakPolarHBondContact O-CB 3.48Å; N274-V277 PolarHBondContact O-N 3.39Å; N274-V277 VanDerWaalsContact O-N 3.12Å; N274-V277 PolarHBondContact OD1-N 3.07Å; V277-S279 VanDerWaalsContact C-N 3.33Å; V277-S279 PolarHBondContact O-N 3.32Å; V277-M280 WeakPolarHBondContact O-CB 3.32Å; V277-M280 PolarHBondContact O-N 3.01Å; V277-N281 VanDerWaalsContact O-CG 3.28Å; V277-N281 PolarHBondContact O-N 3.28Å; V277-F320 HydrophobicContact CG2-CE1 4.24Å; V277-F320 HydrophobicContact CG2-CZ 4.16Å
278E70.9Confident65.2Low30 Ų3065.5 Ų65.514%0.1431%0.312CS..Hα-helixtrans-59.4-44.5173.3-166-159.9163.600111.8L267 N274 L276 M280 N281 I282L267-E278 HydrophobicContact CD1-CG 4.48Å; L267-E278 WeakPolarHBondContact CD2-OE1 3.47Å; L267-E278 WeakPolarHBondContact CD2-OE2 3.2Å; L267-E278 WeakPolarHBondContact CG-OE2 3.32Å; N274-E278 PolarHBondContact O-N 2.97Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 2.83Å; E278-M280 VanDerWaalsContact C-N 3.29Å; E278-M280 PolarHBondContact O-N 3.48Å; E278-N281 PolarHBondContact O-N 3.33Å; E278-N281 VanDerWaalsContact O-N 3.17Å; E278-I282 HydrophobicContact CG-CD1 4.23Å; E278-I282 WeakPolarHBondContact O-CG1 3.45Å; E278-I282 PolarHBondContact O-N 3.45Å
279S74Confident67.6Low7 Ų760.1 Ų60.15%0.04929%0.287CS..Hα-helixtrans-62.7-37.1176.8-60.40000111.6R275 L276 V277 F283R275-S279 WeakPolarHBondContact O-CB 3.46Å; R275-S279 PolarHBondContact O-N 3.11Å; R275-S279 PolarHBondContact O-OG 2.7Å; L276-S279 WeakPolarHBondContact O-CB 3.49Å; L276-S279 PolarHBondContact O-N 3.14Å; V277-S279 VanDerWaalsContact C-N 3.33Å; V277-S279 PolarHBondContact O-N 3.32Å; S279-F283 VanDerWaalsContact O-CB 3.32Å; S279-F283 WeakPolarHBondContact O-CB 3.47Å; S279-F283 PolarHBondContact O-N 3.22Å
280M79.1Confident69.8Low12 Ų1259.9 Ų59.96%0.05928%0.283CS..Hα-helixtrans-65.1-41.5173-69.4173.9-17800111.9L276 V277 E278 F283 E284 F320 F341 K344L276-M280 HydrophobicContact CD1-CE 4.37Å; L276-M280 HydrophobicContact CD2-CE 4.1Å; L276-M280 HydrophobicContact CG-CE 3.91Å; L276-M280 WeakPolarHBondContact O-CG 3.29Å; L276-M280 PolarHBondContact O-N 2.68Å; V277-M280 WeakPolarHBondContact O-CB 3.32Å; V277-M280 PolarHBondContact O-N 3.01Å; E278-M280 VanDerWaalsContact C-N 3.29Å; E278-M280 PolarHBondContact O-N 3.48Å; M280-F283 PolarHBondContact O-N 3.45Å; M280-E284 WeakPolarHBondContact O-CB 3.23Å; M280-E284 PolarHBondContact O-N 3.09Å; M280-F320 HydrophobicContact CE-CE1 4.35Å; M280-F341 HydrophobicContact CB-CE1 4.16Å; M280-F341 HydrophobicContact CB-CZ 4.4Å; M280-F341 HydrophobicContact CE-CD2 4.44Å; M280-F341 HydrophobicContact CE-CE2 3.97Å; M280-F341 HydrophobicContact CE-CZ 4.31Å; M280-F341 HydrophobicContact CG-CD1 4.14Å; M280-F341 HydrophobicContact CG-CE1 3.59Å; M280-F341 HydrophobicContact CG-CE2 3.98Å; M280-F341 HydrophobicContact CG-CZ 3.43Å; M280-F341 VanDerWaalsContact CG-CZ 3.43Å; M280-K344 HydrophobicContact CB-CG 4.4Å
281N79.6Confident71.7Confident74 Ų7461.7 Ų61.740%0.39629%0.292SS..Hα-helixtrans-67.6-40.6178.2-67.1-16.8000111.9V277 E278 F283 E284 T285V277-N281 VanDerWaalsContact O-CG 3.28Å; V277-N281 PolarHBondContact O-N 3.28Å; E278-N281 PolarHBondContact O-N 3.33Å; E278-N281 VanDerWaalsContact O-N 3.17Å; N281-F283 VanDerWaalsContact C-N 3.35Å; N281-E284 PolarHBondContact O-N 3.21Å; N281-T285 PolarHBondContact O-N 2.82Å; N281-T285 PolarHBondContact O-OG1 3.26Å
282I75.1Confident73Confident25 Ų2552.1 Ų52.113%0.12826%0.256CS..Hα-helixtrans-61.2-46.3172.5-68.4166.8000110.2A68 E278 T285 I286A68-I282 HydrophobicContact CB-CD1 4.29Å; E278-I282 HydrophobicContact CG-CD1 4.23Å; E278-I282 WeakPolarHBondContact O-CG1 3.45Å; E278-I282 PolarHBondContact O-N 3.45Å; I282-T285 PolarHBondContact O-N 3.26Å; I282-I286 HydrophobicContact CG2-CD1 3.7Å; I282-I286 WeakPolarHBondContact O-CD1 3.28Å; I282-I286 WeakPolarHBondContact O-CG1 3.13Å; I282-I286 PolarHBondContact O-N 2.83Å; I282-I286 VanDerWaalsContact O-N 3.15Å
283F81.2Confident74Confident0 Ų046.2 Ų46.20%024%0.241CC..Hα-helixtrans-60.8-45.5176.8178.5-103.9000111.9L250 S279 M280 N281 T285 I286 V287 I297 F341 K344 R345 L352L250-F283 HydrophobicContact CD1-CD2 4.03Å; L250-F283 HydrophobicContact CD2-CB 4.41Å; L250-F283 HydrophobicContact CD2-CD2 3.64Å; L250-F283 HydrophobicContact CD2-CE2 4.46Å; L250-F283 HydrophobicContact CG-CD2 4.35Å; S279-F283 VanDerWaalsContact O-CB 3.32Å; S279-F283 WeakPolarHBondContact O-CB 3.47Å; S279-F283 PolarHBondContact O-N 3.22Å; M280-F283 PolarHBondContact O-N 3.45Å; N281-F283 VanDerWaalsContact C-N 3.35Å; F283-T285 VanDerWaalsContact C-N 3.26Å; F283-T285 PolarHBondContact O-N 2.9Å; F283-I286 PolarHBondContact O-N 3.43Å; F283-I286 VanDerWaalsContact O-N 3.11Å; F283-V287 HydrophobicContact CD1-CB 4.5Å; F283-V287 HydrophobicContact CD1-CG1 4.12Å; F283-V287 HydrophobicContact CE1-CB 4.1Å; F283-V287 HydrophobicContact CE1-CG1 3.88Å; F283-V287 HydrophobicContact CE1-CG2 4.31Å; F283-V287 HydrophobicContact CE2-CB 4.24Å; F283-V287 HydrophobicContact CE2-CG2 4.44Å; F283-V287 HydrophobicContact CZ-CB 3.98Å; F283-V287 HydrophobicContact CZ-CG1 4.29Å; F283-V287 HydrophobicContact CZ-CG2 3.93Å; F283-V287 WeakPolarHBondContact O-CB 3.37Å; F283-V287 VanDerWaalsContact O-CG1 3.29Å; F283-V287 WeakPolarHBondContact O-CG1 3.4Å; F283-V287 PolarHBondContact O-N 3.41Å; F283-I297 HydrophobicContact CE2-CG2 4.06Å; F283-F341 HydrophobicContact CB-CD1 3.88Å; F283-F341 HydrophobicContact CB-CE1 3.98Å; F283-F341 HydrophobicContact CD1-CB 4.32Å; F283-F341 AromaticContact CD1-CD1 3.69Å; F283-F341 HydrophobicContact CD1-CD1 3.69Å; F283-F341 HydrophobicContact CD2-CD1 4.46Å; F283-F341 HydrophobicContact CE1-CB 4.19Å; F283-F341 HydrophobicContact CE1-CD1 4.33Å; F283-F341 VanDerWaalsContact CE1-O 3.28Å; F283-F341 WeakPolarHBondContact CE1-O 3.2Å; F283-F341 AromaticContact CG-CD1 3.74Å; F283-F341 HydrophobicContact CG-CD1 3.74Å; F283-F341 HydrophobicContact CG-CE1 4.33Å; F283-K344 HydrophobicContact CD1-CB 4.22Å; F283-R345 HydrophobicContact CE1-CG 3.94Å; F283-R345 HydrophobicContact CZ-CG 4.29Å; F283-L352 HydrophobicContact CZ-CD1 3.96Å
284E85.1Confident74.7Confident65 Ų6550.8 Ų50.830%0.30426%0.263SS..Hα-helixtrans-56.3-41.2176.9-175.9171.2-173.200111.8M280 N281 I286 N288 K344M280-E284 WeakPolarHBondContact O-CB 3.23Å; M280-E284 PolarHBondContact O-N 3.09Å; N281-E284 PolarHBondContact O-N 3.21Å; E284-I286 VanDerWaalsContact C-N 3.34Å; E284-I286 PolarHBondContact O-N 3.45Å; E284-N288 WeakPolarHBondContact CG-ND2 3.44Å; E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.45Å; E284-N288 PolarHBondContact O-N 3.37Å; E284-N288 PolarHBondContact O-ND2 3.31Å; E284-K344 HydrophobicContact CB-CB 4.01Å; E284-K344 HydrophobicContact CB-CD 4.37Å; E284-K344 HydrophobicContact CB-CG 4.36Å; E284-K344 HydrophobicContact CG-CB 4.28Å; E284-K344 HydrophobicContact CG-CD 4.42Å; E284-K344 WeakPolarHBondContact OE2-CD 3.08Å; E284-K344 WeakPolarHBondContact OE2-CE 3.44Å; E284-K344 IonicContact OE2-NZ 4Å; E284-K344 PolarHBondContact OE2-NZ 3.43Å
285T78.9Confident75Confident92 Ų9250.9 Ų50.956%0.56426%0.264SS*.Hα-helixtrans-68-36.4179.3-55.10000111.4N281 I282 F283N281-T285 PolarHBondContact O-N 2.82Å; N281-T285 PolarHBondContact O-OG1 3.26Å; I282-T285 PolarHBondContact O-N 3.26Å; F283-T285 VanDerWaalsContact C-N 3.26Å; F283-T285 PolarHBondContact O-N 2.9Å
286I76.6Confident75.3Confident9 Ų950.9 Ų50.95%0.04627%0.268CS..Hα-helixtrans-80.1-50.5-177.4-66.3162.2000110.5L66 W239 L250 I282 F283 E284 N288 N289 F292L66-I286 HydrophobicContact CB-CD1 4.41Å; L66-I286 HydrophobicContact CD1-CD1 3.98Å; L66-I286 HydrophobicContact CD1-CG2 4.25Å; W239-I286 HydrophobicContact CZ3-CD1 4.23Å; L250-I286 HydrophobicContact CD1-CB 3.78Å; L250-I286 HydrophobicContact CD1-CD1 3.41Å; L250-I286 VanDerWaalsContact CD1-CD1 3.41Å; L250-I286 HydrophobicContact CD1-CG1 4.18Å; L250-I286 HydrophobicContact CD1-CG2 3.56Å; I282-I286 HydrophobicContact CG2-CD1 3.7Å; I282-I286 WeakPolarHBondContact O-CD1 3.28Å; I282-I286 WeakPolarHBondContact O-CG1 3.13Å; I282-I286 PolarHBondContact O-N 2.83Å; I282-I286 VanDerWaalsContact O-N 3.15Å; F283-I286 PolarHBondContact O-N 3.43Å; F283-I286 VanDerWaalsContact O-N 3.11Å; E284-I286 VanDerWaalsContact C-N 3.34Å; E284-I286 PolarHBondContact O-N 3.45Å; I286-N288 PolarHBondContact O-N 3.32Å; I286-N289 WeakPolarHBondContact O-CB 3.19Å; I286-N289 PolarHBondContact O-N 3.49Å; I286-N289 VanDerWaalsContact O-N 3.12Å; I286-F292 HydrophobicContact CG2-CD2 3.85Å; I286-F292 HydrophobicContact CG2-CE2 3.95Å; I286-F292 WeakPolarHBondContact O-CD2 3.29Å
287V80Confident75.5Confident26 Ų2651.6 Ų51.616%0.15827%0.271CS..Hα-helixtrans-66.4-24.9-174.576.50000113.3F283 I297 R345F283-V287 HydrophobicContact CD1-CB 4.5Å; F283-V287 HydrophobicContact CD1-CG1 4.12Å; F283-V287 HydrophobicContact CE1-CB 4.1Å; F283-V287 HydrophobicContact CE1-CG1 3.88Å; F283-V287 HydrophobicContact CE1-CG2 4.31Å; F283-V287 HydrophobicContact CE2-CB 4.24Å; F283-V287 HydrophobicContact CE2-CG2 4.44Å; F283-V287 HydrophobicContact CZ-CB 3.98Å; F283-V287 HydrophobicContact CZ-CG1 4.29Å; F283-V287 HydrophobicContact CZ-CG2 3.93Å; F283-V287 WeakPolarHBondContact O-CB 3.37Å; F283-V287 VanDerWaalsContact O-CG1 3.29Å; F283-V287 WeakPolarHBondContact O-CG1 3.4Å; F283-V287 PolarHBondContact O-N 3.41Å; V287-I297 HydrophobicContact CB-CD1 4.29Å; V287-I297 HydrophobicContact CG2-CD1 3.96Å; V287-R345 HydrophobicContact CB-CG 4.48Å; V287-R345 HydrophobicContact CG1-CG 3.98Å; V287-R345 HydrophobicContact CG2-CG 3.75Å
288N84.1Confident75.6Confident39 Ų3949 Ų4921%0.20926%0.255CS..THydrogen-bonded Turntrans-98.65.4178.8-60.1-48000113.2E284 I286 K344 R346E284-N288 WeakPolarHBondContact CG-ND2 3.44Å; E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.45Å; E284-N288 PolarHBondContact O-N 3.37Å; E284-N288 PolarHBondContact O-ND2 3.31Å; I286-N288 PolarHBondContact O-N 3.32Å; N288-K344 PolarHBondContact ND2-O 2.57Å; N288-R346 WeakPolarHBondContact OD1-CB 3.33Å; N288-R346 WeakPolarHBondContact OD1-CG 3.38Å; N288-R346 PolarHBondContact OD1-N 3.15Å
289N79Confident76.1Confident37 Ų3747.6 Ų47.620%0.19825%0.249CC..  trans-78.1132.2179.1-164.1-50000111.1F240 I286 L291 F292F240-N289 VanDerWaalsContact CE1-ND2 3.35Å; F240-N289 WeakPolarHBondContact CE1-ND2 3.49Å; I286-N289 WeakPolarHBondContact O-CB 3.19Å; I286-N289 PolarHBondContact O-N 3.49Å; I286-N289 VanDerWaalsContact O-N 3.12Å; N289-L291 PolarHBondContact O-N 3.02Å; N289-L291 WeakPolarHBondContact OD1-CB 3.37Å; N289-L291 WeakPolarHBondContact OD1-CG 3.21Å; N289-L291 PolarHBondContact OD1-N 2.89Å; N289-F292 HydrophobicContact CB-CD2 3.74Å; N289-F292 HydrophobicContact CB-CE2 4.2Å; N289-F292 PolarHBondContact O-N 3.35Å
290K79.1Confident76.3Confident177 Ų17747.2 Ų47.277%0.7725%0.246SC*.G310 helixtrans-57.4-30.7178-67.1-175.3179.4-177.80113.1F292 L293K290-F292 PolarHBondContact O-N 3.14Å; K290-L293 HydrophobicContact CB-CD1 4.28Å; K290-L293 WeakPolarHBondContact O-CD1 3.38Å; K290-L293 WeakPolarHBondContact O-CG 3.42Å; K290-L293 PolarHBondContact O-N 3.14Å
291L70.9Confident76.2Confident102 Ų10246.8 Ų46.853%0.53424%0.244SC..G310 helixtrans-65.8-16.9178-63.1173.6000113.4F240 N289F240-L291 HydrophobicContact CD1-CD1 3.67Å; F240-L291 HydrophobicContact CE1-CD1 4.32Å; N289-L291 PolarHBondContact O-N 3.02Å; N289-L291 WeakPolarHBondContact OD1-CB 3.37Å; N289-L291 WeakPolarHBondContact OD1-CG 3.21Å; N289-L291 PolarHBondContact OD1-N 2.89Å
292F67.7Low75.8Confident11 Ų1143.3 Ų43.35%0.04823%0.226CC..G310 helixtrans-112.413.5-177.6-56.5-48.9000113.9F243 N248 I286 N289 K290 N294 V295 I297F243-F292 AromaticContact CD1-CE1 3.53Å; F243-F292 HydrophobicContact CD1-CE1 3.53Å; F243-F292 AromaticContact CD1-CZ 3.98Å; F243-F292 HydrophobicContact CD1-CZ 3.98Å; F243-F292 HydrophobicContact CD2-CE1 4.44Å; F243-F292 HydrophobicContact CD2-CZ 4.24Å; F243-F292 AromaticContact CE1-CE1 3.44Å; F243-F292 HydrophobicContact CE1-CE1 3.44Å; F243-F292 VanDerWaalsContact CE1-CE1 3.44Å; F243-F292 AromaticContact CE1-CZ 3.55Å; F243-F292 HydrophobicContact CE1-CZ 3.55Å; F243-F292 HydrophobicContact CE2-CE1 4.37Å; F243-F292 AromaticContact CE2-CZ 3.85Å; F243-F292 HydrophobicContact CE2-CZ 3.85Å; F243-F292 HydrophobicContact CG-CE1 4.03Å; F243-F292 HydrophobicContact CG-CZ 4.29Å; F243-F292 AromaticContact CZ-CE1 3.93Å; F243-F292 HydrophobicContact CZ-CE1 3.93Å; F243-F292 AromaticContact CZ-CZ 3.52Å; F243-F292 HydrophobicContact CZ-CZ 3.52Å; N248-F292 WeakPolarHBondContact ND2-CD1 3.1Å; N248-F292 WeakPolarHBondContact ND2-CE1 3.05Å; I286-F292 HydrophobicContact CG2-CD2 3.85Å; I286-F292 HydrophobicContact CG2-CE2 3.95Å; I286-F292 WeakPolarHBondContact O-CD2 3.29Å; N289-F292 HydrophobicContact CB-CD2 3.74Å; N289-F292 HydrophobicContact CB-CE2 4.2Å; N289-F292 PolarHBondContact O-N 3.35Å; K290-F292 PolarHBondContact O-N 3.14Å; F292-N294 VanDerWaalsContact C-N 3.27Å; F292-N294 PolarHBondContact O-N 3.33Å; F292-V295 HydrophobicContact CB-CB 4.16Å; F292-V295 HydrophobicContact CD1-CB 4.33Å; F292-V295 HydrophobicContact CD1-CG1 4.5Å; F292-V295 HydrophobicContact CD1-CG2 4.12Å; F292-V295 PolarHBondContact O-N 3.48Å; F292-V295 VanDerWaalsContact O-N 3.1Å; F292-I297 HydrophobicContact CB-CD1 4.35Å
293L69.9Low75.5Confident104 Ų10443.3 Ų43.355%0.54523%0.225SC..THydrogen-bonded Turntrans-58.8-38.8179.8-72.8169.2000113.2K290 V295 K350K290-L293 HydrophobicContact CB-CD1 4.28Å; K290-L293 WeakPolarHBondContact O-CD1 3.38Å; K290-L293 WeakPolarHBondContact O-CG 3.42Å; K290-L293 PolarHBondContact O-N 3.14Å; L293-V295 VanDerWaalsContact C-N 3.35Å; L293-K350 PolarHBondContact O-NZ 3.33Å; L293-K350 VanDerWaalsContact O-NZ 3.14Å
294N67.1Low75.3Confident153 Ų15344.2 Ų44.282%0.81823%0.23SC*.THydrogen-bonded Turntrans-99.318-179.9-61.8-10.4000112.2F292F292-N294 VanDerWaalsContact C-N 3.27Å; F292-N294 PolarHBondContact O-N 3.33Å
295V68.8Low74.8Confident25 Ų2543.4 Ų43.415%0.15223%0.228CC..SBendtrans-111.3128-179.3173.10000109.1V246 N248 F292 L293 I297V246-V295 WeakPolarHBondContact O-CG1 3.48Å; V246-V295 VanDerWaalsContact O-CG2 3.25Å; V246-V295 WeakPolarHBondContact O-CG2 3.27Å; N248-V295 HydrophobicContact CB-CG1 3.76Å; N248-V295 VanDerWaalsContact N-CG1 3.33Å; F292-V295 HydrophobicContact CB-CB 4.16Å; F292-V295 HydrophobicContact CD1-CB 4.33Å; F292-V295 HydrophobicContact CD1-CG1 4.5Å; F292-V295 HydrophobicContact CD1-CG2 4.12Å; F292-V295 PolarHBondContact O-N 3.48Å; F292-V295 VanDerWaalsContact O-N 3.1Å; L293-V295 VanDerWaalsContact C-N 3.35Å; V295-I297 PolarHBondContact O-N 3.01Å
296S68.6Low74.4Confident19 Ų1941.4 Ų41.413%0.13321%0.213CC..  trans-65127.9169.3-26.30000109.2N248 E379N248-S296 PolarHBondContact N-O 3.35Å; S296-E379 WeakPolarHBondContact CB-OE2 3.38Å; S296-E379 PolarHBondContact OG-OE2 2.92Å
297I74.6Confident74.4Confident22 Ų2241.2 Ų41.211%0.11321%0.213CC..EExtended strand (participates in β ladder)trans-115.2118177.9-62.1171000108.2N248 L250 F283 V287 F292 V295N248-I297 WeakPolarHBondContact O-CA 2.95Å; L250-I297 HydrophobicContact CB-CG2 4.26Å; F283-I297 HydrophobicContact CE2-CG2 4.06Å; V287-I297 HydrophobicContact CB-CD1 4.29Å; V287-I297 HydrophobicContact CG2-CD1 3.96Å; F292-I297 HydrophobicContact CB-CD1 4.35Å; V295-I297 PolarHBondContact O-N 3.01Å
298I77.5Confident74.3Confident0 Ų042.4 Ų42.40%022%0.22CC..EExtended strand (participates in β ladder)trans-110.1126.3177.2-55.3172.3000109N248 L250 F300 F353 V372 I376N248-I298 PolarHBondContact O-N 2.92Å; L250-I298 CarbonylContact C-O 3.4Å; L250-I298 PolarHBondContact N-O 3.45Å; I298-F300 HydrophobicContact CG2-CE1 4.12Å; I298-F353 WeakPolarHBondContact CA-O 3.42Å; I298-F353 HydrophobicContact CB-CB 4.46Å; I298-F353 HydrophobicContact CG1-CB 4.05Å; I298-F353 HydrophobicContact CG2-CB 4.27Å; I298-V372 HydrophobicContact CD1-CB 4.11Å; I298-V372 HydrophobicContact CD1-CG1 3.59Å; I298-V372 HydrophobicContact CD1-CG2 3.93Å; I298-V372 HydrophobicContact CG2-CG2 4.2Å; I298-I376 HydrophobicContact CD1-CD1 4.24Å; I298-I376 HydrophobicContact CD1-CG1 4.22Å
299L80.6Confident73.9Confident0 Ų044.9 Ų44.90%023%0.23CC..EExtended strand (participates in β ladder)trans-93.7112.4-178.7176.163.6000111.2L250 V252 L301 F341 L352 F353 H354 H355L250-L299 HydrophobicContact CD2-CD1 4.48Å; L250-L299 WeakPolarHBondContact O-CA 3.06Å; V252-L299 HydrophobicContact CB-CD1 3.53Å; V252-L299 HydrophobicContact CG1-CD1 4.46Å; V252-L299 HydrophobicContact CG2-CD1 3.19Å; L299-L301 HydrophobicContact CD2-CD1 4.18Å; L299-L301 HydrophobicContact CG-CD1 4.31Å; L299-L301 HydrophobicContact CG-CG 4.44Å; L299-F341 HydrophobicContact CD1-CD1 4.38Å; L299-F341 HydrophobicContact CD2-CB 3.64Å; L299-F341 HydrophobicContact CD2-CD1 4.37Å; L299-F341 HydrophobicContact CD2-CD2 4.16Å; L299-F341 HydrophobicContact CD2-CG 3.79Å; L299-L352 HydrophobicContact CB-CD1 4.19Å; L299-L352 HydrophobicContact CD2-CD2 4.03Å; L299-F353 PolarHBondContact N-O 3.35Å; L299-H354 HydrophobicContact CB-CB 3.92Å; L299-H354 HydrophobicContact CD2-CB 4.35Å; L299-H354 HydrophobicContact CG-CB 4.32Å; L299-H354 CarbonylContact O-C 3.47Å; L299-H354 WeakPolarHBondContact O-CA 3.48Å; L299-H354 WeakPolarHBondContact O-CB 3.33Å; L299-H355 PolarHBondContact O-N 3.17Å
300F78.3Confident73.4Confident0 Ų044.5 Ų44.50%023%0.227CC..EExtended strand (participates in β ladder)trans-94.6123169.2-68.4-43000111.5F76 V249 L250 R251 V252 I298 H355 T357 V368 V372F76-F300 HydrophobicContact CD2-CE2 4.46Å; F76-F300 HydrophobicContact CE1-CE2 4.39Å; F76-F300 HydrophobicContact CE2-CD2 4.34Å; F76-F300 AromaticContact CE2-CE2 3.67Å; F76-F300 HydrophobicContact CE2-CE2 3.67Å; F76-F300 HydrophobicContact CE2-CZ 4.08Å; F76-F300 AromaticContact CZ-CE2 3.62Å; F76-F300 HydrophobicContact CZ-CE2 3.62Å; F76-F300 HydrophobicContact CZ-CZ 4.03Å; V249-F300 HydrophobicContact CG1-CD2 3.46Å; V249-F300 VanDerWaalsContact CG1-CD2 3.46Å; V249-F300 HydrophobicContact CG1-CE2 3.08Å; V249-F300 HydrophobicContact CG1-CZ 3.92Å; L250-F300 PolarHBondContact O-N 2.78Å; R251-F300 HydrophobicContact CB-CB 4.05Å; R251-F300 HydrophobicContact CB-CD2 4.32Å; R251-F300 HydrophobicContact CG-CB 3.7Å; R251-F300 HydrophobicContact CG-CD2 4.43Å; R251-F300 VanDerWaalsContact NH1-CD2 3.26Å; R251-F300 VanDerWaalsContact NH1-CG 3.31Å; V252-F300 CarbonylContact C-O 3.48Å; V252-F300 WeakPolarHBondContact CA-O 3.39Å; V252-F300 PolarHBondContact N-O 3.42Å; I298-F300 HydrophobicContact CG2-CE1 4.12Å; F300-H355 WeakPolarHBondContact CA-O 3.36Å; F300-H355 HydrophobicContact CD1-CB 3.91Å; F300-H355 HydrophobicContact CE1-CB 4.06Å; F300-H355 AromaticContact CE1-CD2 3.71Å; F300-T357 HydrophobicContact CD1-CG2 4.08Å; F300-V368 HydrophobicContact CD1-CG1 3.99Å; F300-V368 HydrophobicContact CE1-CG1 3.17Å; F300-V368 HydrophobicContact CZ-CG1 3.75Å; F300-V372 HydrophobicContact CE1-CG2 3.91Å; F300-V372 HydrophobicContact CZ-CG2 3.7Å
301L77.8Confident73.5Confident2 Ų236.7 Ų36.71%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-95.695169.5-69.9128000108L299 L337 V338 F341 H354 H355 F356 T357L299-L301 HydrophobicContact CD2-CD1 4.18Å; L299-L301 HydrophobicContact CG-CD1 4.31Å; L299-L301 HydrophobicContact CG-CG 4.44Å; L301-L337 HydrophobicContact CD2-CB 4Å; L301-L337 HydrophobicContact CD2-CD1 4.32Å; L301-V338 HydrophobicContact CD1-CG2 3.78Å; L301-F341 HydrophobicContact CD2-CE2 4.45Å; L301-H354 HydrophobicContact CD1-CB 4.42Å; L301-H355 PolarHBondContact N-O 3.45Å; L301-F356 HydrophobicContact CB-CD1 3.64Å; L301-F356 HydrophobicContact CB-CE1 3.84Å; L301-F356 HydrophobicContact CD1-CD1 4.12Å; L301-F356 HydrophobicContact CD1-CE1 3.62Å; L301-F356 HydrophobicContact CD1-CZ 3.91Å; L301-F356 HydrophobicContact CD2-CE1 4.33Å; L301-F356 HydrophobicContact CG-CD1 4.4Å; L301-F356 HydrophobicContact CG-CE1 4.12Å; L301-F356 WeakPolarHBondContact O-CA 3.48Å; L301-T357 PolarHBondContact O-N 2.68Å; L301-T357 PolarHBondContact O-OG1 2.99Å
302N70.6Confident73.9Confident2 Ų240.9 Ų40.91%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-87.2156.3-173.5-168.423000112.7S71 R251 V252 S254 T357 A359S71-N302 PolarHBondContact O-ND2 3.35Å; R251-N302 HydrophobicContact CG-CB 4.2Å; R251-N302 VanDerWaalsContact NE-CG 3.31Å; R251-N302 PolarHBondContact NE-ND2 3.07Å; R251-N302 PolarHBondContact NH2-OD1 3Å; V252-N302 PolarHBondContact O-N 3.45Å; S254-N302 WeakPolarHBondContact CA-O 3.34Å; S254-N302 WeakPolarHBondContact CB-O 3.28Å; S254-N302 PolarHBondContact N-O 3.22Å; N302-T357 CarbonylContact C-O 3.56Å; N302-T357 VanDerWaalsContact CA-O 3.26Å; N302-T357 WeakPolarHBondContact CA-O 3.22Å; N302-T357 PolarHBondContact OD1-O 3.2Å; N302-A359 WeakPolarHBondContact OD1-CB 3.17Å; N302-A359 PolarHBondContact OD1-N 2.69Å
303K70.3Confident74.3Confident24 Ų2445.4 Ų45.410%0.10423%0.231CC..  trans73.343.2177.9-53.4172.7-179.5174.60112.8E70 D305 L306 L307 T357E70-K303 PolarHBondContact O-NZ 2.95Å; K303-D305 WeakPolarHBondContact CA-OD1 3.31Å; K303-D305 PolarHBondContact O-N 3.17Å; K303-L306 HydrophobicContact CB-CB 4.31Å; K303-L306 HydrophobicContact CB-CD1 4.16Å; K303-L306 HydrophobicContact CB-CG 4.36Å; K303-L306 HydrophobicContact CD-CD1 4.06Å; K303-L306 HydrophobicContact CG-CD1 4.41Å; K303-L306 PolarHBondContact O-N 3.36Å; K303-L307 PolarHBondContact O-N 3.5Å; K303-L307 VanDerWaalsContact O-N 3.15Å; K303-T357 PolarHBondContact N-O 3.38Å
304T76.4Confident74.4Confident20 Ų2042.2 Ų42.212%0.12322%0.215CC..Hα-helixtrans-61.1-35.3177.3-47.70000111.6L306 L307 V308 F356 T357T304-L306 VanDerWaalsContact C-N 3.35Å; T304-L306 PolarHBondContact O-N 3.33Å; T304-L307 WeakPolarHBondContact O-CB 3.33Å; T304-L307 PolarHBondContact O-N 2.78Å; T304-L307 VanDerWaalsContact O-N 3.09Å; T304-V308 WeakPolarHBondContact O-CG2 3.44Å; T304-V308 PolarHBondContact O-N 2.89Å; T304-F356 HydrophobicContact CG2-CB 4.38Å; T304-T357 PolarHBondContact N-O 3.19Å; T304-T357 PolarHBondContact OG1-N 3.46Å; T304-T357 PolarHBondContact OG1-O 2.93Å
305D74.1Confident75Confident47 Ų4736.6 Ų36.625%0.25119%0.185SC..Hα-helixtrans-49.8-51.5170.559.7-44.3000112.3K303 L307 V308 E309 T358K303-D305 WeakPolarHBondContact CA-OD1 3.31Å; K303-D305 PolarHBondContact O-N 3.17Å; D305-L307 VanDerWaalsContact C-N 3.31Å; D305-L307 PolarHBondContact O-N 2.97Å; D305-V308 PolarHBondContact O-N 3.3Å; D305-E309 PolarHBondContact O-N 2.93Å; D305-T358 HydrophobicContact CB-CG2 3.97Å
306L71.1Confident75.5Confident50 Ų5035.6 Ų35.626%0.26218%0.179SC..Hα-helixtrans-72.1-26179.3-61.1-178.6000112.9K303 T304 K310K303-L306 HydrophobicContact CB-CB 4.31Å; K303-L306 HydrophobicContact CB-CD1 4.16Å; K303-L306 HydrophobicContact CB-CG 4.36Å; K303-L306 HydrophobicContact CD-CD1 4.06Å; K303-L306 HydrophobicContact CG-CD1 4.41Å; K303-L306 PolarHBondContact O-N 3.36Å; T304-L306 VanDerWaalsContact C-N 3.35Å; T304-L306 PolarHBondContact O-N 3.33Å; L306-K310 WeakPolarHBondContact O-CB 3.48Å; L306-K310 WeakPolarHBondContact O-CD 3.14Å; L306-K310 VanDerWaalsContact O-CG 3.24Å; L306-K310 WeakPolarHBondContact O-CG 3.3Å; L306-K310 PolarHBondContact O-N 3.15Å
307L75.3Confident76.2Confident5 Ų540.5 Ų40.53%0.02620%0.195CC..Hα-helixtrans-67.1-43.5174.7179.662.7000110.5K303 T304 D305 E309 K310 I311 L330 V333 Q334 L337K303-L307 PolarHBondContact O-N 3.5Å; K303-L307 VanDerWaalsContact O-N 3.15Å; T304-L307 WeakPolarHBondContact O-CB 3.33Å; T304-L307 PolarHBondContact O-N 2.78Å; T304-L307 VanDerWaalsContact O-N 3.09Å; D305-L307 VanDerWaalsContact C-N 3.31Å; D305-L307 PolarHBondContact O-N 2.97Å; L307-E309 PolarHBondContact O-N 3Å; L307-K310 PolarHBondContact O-N 2.76Å; L307-K310 VanDerWaalsContact O-N 3.11Å; L307-I311 HydrophobicContact CD1-CD1 4Å; L307-I311 HydrophobicContact CD1-CG1 4.09Å; L307-I311 HydrophobicContact CD2-CD1 4.47Å; L307-I311 HydrophobicContact CG-CD1 3.82Å; L307-I311 HydrophobicContact CG-CG1 4.34Å; L307-I311 WeakPolarHBondContact O-CG1 3.41Å; L307-I311 PolarHBondContact O-N 3.49Å; L307-L330 HydrophobicContact CD2-CD1 3.98Å; L307-L330 HydrophobicContact CG-CD1 4.12Å; L307-V333 HydrophobicContact CD1-CG1 4.19Å; L307-Q334 HydrophobicContact CD2-CG 4.24Å; L307-L337 HydrophobicContact CD2-CD1 4.15Å
308V78.8Confident76.4Confident52 Ų5245.7 Ų45.732%0.31522%0.216SC..Hα-helixtrans-58.9-45.7177.6173.10000111.3T304 D305 K310 L330T304-V308 WeakPolarHBondContact O-CG2 3.44Å; T304-V308 PolarHBondContact O-N 2.89Å; D305-V308 PolarHBondContact O-N 3.3Å; V308-K310 VanDerWaalsContact C-N 3.26Å; V308-K310 PolarHBondContact O-N 3.22Å; V308-L330 HydrophobicContact CG2-CD1 3.93Å; V308-L330 HydrophobicContact CG2-CD2 3.79Å; V308-L330 HydrophobicContact CG2-CG 4.47Å
309E76.3Confident76.1Confident90 Ų9047.3 Ų47.342%0.42123%0.225SC..Hα-helixtrans-60.9-36.8176.5-67.2-174.6165.100112.3D305 L307D305-E309 PolarHBondContact O-N 2.93Å; L307-E309 PolarHBondContact O-N 3Å
310K68.6Low76Confident30 Ų3047.7 Ų47.713%0.1323%0.227CC..Hα-helixtrans-79.4-36.3-173.7-81173157.2-161.50114.7T255 L306 L307 V308 R312 T313 V314T255-K310 VanDerWaalsContact CB-NZ 3.31Å; T255-K310 PolarHBondContact O-NZ 3.19Å; T255-K310 PolarHBondContact OG1-NZ 2.99Å; L306-K310 WeakPolarHBondContact O-CB 3.48Å; L306-K310 WeakPolarHBondContact O-CD 3.14Å; L306-K310 VanDerWaalsContact O-CG 3.24Å; L306-K310 WeakPolarHBondContact O-CG 3.3Å; L306-K310 PolarHBondContact O-N 3.15Å; L307-K310 PolarHBondContact O-N 2.76Å; L307-K310 VanDerWaalsContact O-N 3.11Å; V308-K310 VanDerWaalsContact C-N 3.26Å; V308-K310 PolarHBondContact O-N 3.22Å; K310-R312 PolarHBondContact O-N 2.82Å; K310-R312 VanDerWaalsContact O-N 3.11Å; K310-T313 PolarHBondContact O-N 3.49Å; K310-T313 PolarHBondContact O-OG1 3.46Å; K310-V314 PolarHBondContact O-N 3.49Å
311I80.3Confident76.4Confident12 Ų1252.1 Ų52.16%0.06226%0.255CS..Hα-helixtrans-56.9-27.4176.9-75.5175.4000110.7L307 P327 R328 L330 V333L307-I311 HydrophobicContact CD1-CD1 4Å; L307-I311 HydrophobicContact CD1-CG1 4.09Å; L307-I311 HydrophobicContact CD2-CD1 4.47Å; L307-I311 HydrophobicContact CG-CD1 3.82Å; L307-I311 HydrophobicContact CG-CG1 4.34Å; L307-I311 WeakPolarHBondContact O-CG1 3.41Å; L307-I311 PolarHBondContact O-N 3.49Å; I311-P327 WeakPolarHBondContact CG2-O 3.44Å; I311-R328 WeakPolarHBondContact CG2-O 3.46Å; I311-R328 WeakPolarHBondContact O-CD 3.49Å; I311-R328 PolarHBondContact O-NH1 3.5Å; I311-L330 HydrophobicContact CD1-CB 4.42Å; I311-L330 HydrophobicContact CD1-CD1 3.59Å; I311-V333 HydrophobicContact CD1-CB 3.83Å; I311-V333 HydrophobicContact CD1-CG1 3.94Å; I311-V333 HydrophobicContact CD1-CG2 3.95Å; I311-V333 HydrophobicContact CG1-CG1 4.45Å; I311-V333 HydrophobicContact CG1-CG2 4.29Å
312R80.2Confident76.9Confident191 Ų19156.1 Ų56.172%0.72127%0.274SS*.THydrogen-bonded Turntrans-74.7-19.5174.6-60.8179.7179.4-179.9-1.3114.8K310 R328K310-R312 PolarHBondContact O-N 2.82Å; K310-R312 VanDerWaalsContact O-N 3.11Å; R312-R328 PolarHBondContact O-NH1 3.37Å
313T75.8Confident77.8Confident106 Ų10656.4 Ų56.465%0.6528%0.275SS*.THydrogen-bonded Turntrans-120.5-25.5-172.448.50000113.9K310K310-T313 PolarHBondContact O-N 3.49Å; K310-T313 PolarHBondContact O-OG1 3.46Å
314V71.4Confident78.6Confident36 Ų3665.1 Ų65.122%0.21831%0.308CS..  trans-133.6139.7-171.3-158.50000110.7V262 K310V262-V314 HydrophobicContact CB-CG1 4.25Å; V262-V314 HydrophobicContact CG2-CB 3.45Å; V262-V314 VanDerWaalsContact CG2-CB 3.45Å; V262-V314 HydrophobicContact CG2-CG1 3.47Å; V262-V314 VanDerWaalsContact CG2-CG1 3.47Å; V262-V314 WeakPolarHBondContact CG2-O 3.41Å; K310-V314 PolarHBondContact O-N 3.49Å
315D79.2Confident79.2Confident35 Ų3565.5 Ų65.519%0.18732%0.315CS..  trans-92.6127.5179.6-168.3-29.4000112.8V262 R317 K318 P327V262-D315 WeakPolarHBondContact CB-O 3.39Å; V262-D315 WeakPolarHBondContact CG2-O 3.3Å; V262-D315 PolarHBondContact N-O 2.82Å; D315-R317 VanDerWaalsContact C-N 3.29Å; D315-R317 PolarHBondContact O-N 2.94Å; D315-R317 VanDerWaalsContact OD1-CB 3.31Å; D315-R317 WeakPolarHBondContact OD1-CB 3.41Å; D315-R317 WeakPolarHBondContact OD1-CG 2.94Å; D315-R317 IonicContact OD1-CZ 3.64Å; D315-R317 PolarHBondContact OD1-N 3.36Å; D315-R317 IonicContact OD1-NE 3.28Å; D315-R317 PolarHBondContact OD1-NE 3.38Å; D315-R317 VanDerWaalsContact OD1-NE 3.09Å; D315-R317 IonicContact OD2-CZ 3.39Å; D315-R317 VanDerWaalsContact OD2-CZ 3.28Å; D315-R317 IonicContact OD2-NE 2.89Å; D315-R317 PolarHBondContact OD2-NE 2.85Å; D315-R317 IonicContact OD2-NH2 3.46Å; D315-R317 PolarHBondContact OD2-NH2 3.41Å; D315-K318 HydrophobicContact CB-CG 4.48Å; D315-P327 WeakPolarHBondContact OD1-CB 3.19Å
316I79.3Confident80Confident4 Ų466.6 Ų66.62%0.02132%0.321CS..G310 helixtrans-60.6-30.8177.4-165.3156.6000114.7V262 K318 N319 F320 F323 P327 V333 F336V262-I316 VanDerWaalsContact CB-CA 3.42Å; V262-I316 HydrophobicContact CB-CB 4.13Å; V262-I316 HydrophobicContact CB-CG1 4.42Å; V262-I316 HydrophobicContact CG1-CB 3.67Å; V262-I316 HydrophobicContact CG1-CD1 4.03Å; V262-I316 HydrophobicContact CG1-CG1 3.61Å; V262-I316 HydrophobicContact CG2-CB 4.44Å; I316-K318 PolarHBondContact O-N 2.73Å; I316-K318 VanDerWaalsContact O-N 3.16Å; I316-N319 PolarHBondContact O-N 3.3Å; I316-F320 HydrophobicContact CG1-CB 4.43Å; I316-F320 HydrophobicContact CG1-CD2 3.94Å; I316-F320 PolarHBondContact O-N 3.17Å; I316-F323 HydrophobicContact CG2-CB 4.22Å; I316-F323 HydrophobicContact CG2-CD1 3.33Å; I316-F323 HydrophobicContact CG2-CD2 4.01Å; I316-F323 HydrophobicContact CG2-CE1 3.48Å; I316-F323 VanDerWaalsContact CG2-CE1 3.48Å; I316-F323 HydrophobicContact CG2-CE2 4.17Å; I316-F323 HydrophobicContact CG2-CG 3.59Å; I316-F323 HydrophobicContact CG2-CZ 3.91Å; I316-P327 HydrophobicContact CG2-CB 3.95Å; I316-V333 HydrophobicContact CD1-CG1 3.79Å; I316-V333 HydrophobicContact CG2-CG2 4.42Å; I316-F336 HydrophobicContact CD1-CD1 3.82Å; I316-F336 HydrophobicContact CD1-CE1 4.1Å
317R83Confident80.7Confident123 Ų12364.7 Ų64.746%0.46431%0.312SS..G310 helixtrans-65.5-23.2-175.2-65.4175-69.6-174.54.4113D315 N319 F320 P321 F323D315-R317 VanDerWaalsContact C-N 3.29Å; D315-R317 PolarHBondContact O-N 2.94Å; D315-R317 VanDerWaalsContact OD1-CB 3.31Å; D315-R317 WeakPolarHBondContact OD1-CB 3.41Å; D315-R317 WeakPolarHBondContact OD1-CG 2.94Å; D315-R317 IonicContact OD1-CZ 3.64Å; D315-R317 PolarHBondContact OD1-N 3.36Å; D315-R317 IonicContact OD1-NE 3.28Å; D315-R317 PolarHBondContact OD1-NE 3.38Å; D315-R317 VanDerWaalsContact OD1-NE 3.09Å; D315-R317 IonicContact OD2-CZ 3.39Å; D315-R317 VanDerWaalsContact OD2-CZ 3.28Å; D315-R317 IonicContact OD2-NE 2.89Å; D315-R317 PolarHBondContact OD2-NE 2.85Å; D315-R317 IonicContact OD2-NH2 3.46Å; D315-R317 PolarHBondContact OD2-NH2 3.41Å; R317-N319 PolarHBondContact O-N 2.81Å; R317-F320 WeakPolarHBondContact CA-O 3.13Å; R317-F320 CarbonylContact O-C 3.42Å; R317-P321 WeakPolarHBondContact O-CA 3.21Å; R317-F323 HydrophobicContact CG-CB 4.24Å; R317-F323 HydrophobicContact CG-CD1 3.71Å; R317-F323 HydrophobicContact CG-CG 4.46Å
318K79.7Confident81.3Confident130 Ų13070.8 Ų70.857%0.56533%0.334SS*.G310 helixtrans-62.2-26.4178-67.4-170.6173.8-167.10113.4C261 D315 I316C261-K318 HydrophobicContact CB-CB 3.55Å; C261-K318 HydrophobicContact CB-CD 4.23Å; D315-K318 HydrophobicContact CB-CG 4.48Å; I316-K318 PolarHBondContact O-N 2.73Å; I316-K318 VanDerWaalsContact O-N 3.16Å
319N70.4Confident81.8Confident35 Ų3572.5 Ų72.519%0.18734%0.342CS..THydrogen-bonded Turntrans-117.1-21178.8-54.774.2000113.1C261 V262 C263 V264 I316 R317C261-N319 WeakPolarHBondContact CA-OD1 3.09Å; C261-N319 VanDerWaalsContact CB-CG 3.46Å; C261-N319 WeakPolarHBondContact CB-ND2 3.41Å; C261-N319 WeakPolarHBondContact CB-OD1 3.49Å; C261-N319 PolarHBondContact O-OD1 3.28Å; V262-N319 WeakPolarHBondContact CA-OD1 3.36Å; V262-N319 PolarHBondContact N-OD1 3.07Å; V262-N319 WeakPolarHBondContact O-CB 3.38Å; V262-N319 PolarHBondContact O-OD1 3Å; C263-N319 HydrophobicContact CB-CB 3.99Å; C263-N319 PolarHBondContact O-ND2 2.94Å; V264-N319 WeakPolarHBondContact CG2-ND2 3.45Å; I316-N319 PolarHBondContact O-N 3.3Å; R317-N319 PolarHBondContact O-N 2.81Å
320F80.4Confident82.2Confident8 Ų870.7 Ų70.74%0.03533%0.334CS..  trans-124.976.5176.6-62.6-81.1000108.3C263 L276 V277 M280 I316 R317 E322 F323 F336C263-F320 HydrophobicContact CB-CD2 4.37Å; C263-F320 HydrophobicContact CB-CE2 3.45Å; C263-F320 VanDerWaalsContact CB-CE2 3.45Å; C263-F320 HydrophobicContact CB-CZ 4.16Å; C263-F320 VanDerWaalsContact SG-CE2 3.52Å; L276-F320 HydrophobicContact CD2-CE2 3.79Å; L276-F320 HydrophobicContact CD2-CZ 3.67Å; L276-F320 HydrophobicContact CG-CZ 4.27Å; V277-F320 HydrophobicContact CG2-CE1 4.24Å; V277-F320 HydrophobicContact CG2-CZ 4.16Å; M280-F320 HydrophobicContact CE-CE1 4.35Å; I316-F320 HydrophobicContact CG1-CB 4.43Å; I316-F320 HydrophobicContact CG1-CD2 3.94Å; I316-F320 PolarHBondContact O-N 3.17Å; R317-F320 WeakPolarHBondContact CA-O 3.13Å; R317-F320 CarbonylContact O-C 3.42Å; F320-E322 WeakPolarHBondContact CA-OE2 3.46Å; F320-E322 WeakPolarHBondContact CD1-OE1 3.12Å; F320-E322 PolarHBondContact O-N 3.47Å; F320-E322 VanDerWaalsContact O-N 3.09Å; F320-F323 HydrophobicContact CB-CB 4.46Å; F320-F323 VanDerWaalsContact O-CB 3.26Å; F320-F323 WeakPolarHBondContact O-CB 3.33Å; F320-F323 PolarHBondContact O-N 3.11Å; F320-F336 HydrophobicContact CB-CE1 3.77Å; F320-F336 HydrophobicContact CB-CZ 3.61Å; F320-F336 AromaticContact CD1-CE1 3.98Å; F320-F336 HydrophobicContact CD1-CE1 3.98Å; F320-F336 AromaticContact CD1-CZ 3.84Å; F320-F336 HydrophobicContact CD1-CZ 3.84Å; F320-F336 HydrophobicContact CD2-CE1 4.2Å; F320-F336 AromaticContact CG-CE1 3.69Å; F320-F336 HydrophobicContact CG-CE1 3.69Å; F320-F336 AromaticContact CG-CZ 3.8Å; F320-F336 HydrophobicContact CG-CZ 3.8Å
321P86.1Confident83.2Confident92 Ų9274.8 Ų74.860%0.59736%0.358SS*.THydrogen-bonded Turntrans-60.7-16.617826.3-35.2000112.7R317 F323 R324R317-P321 WeakPolarHBondContact O-CA 3.21Å; P321-F323 VanDerWaalsContact C-N 3.28Å; P321-R324 PolarHBondContact O-NH1 2.78Å
322E88.4Confident83.6Confident87 Ų8776.7 Ų76.741%0.40737%0.368SS..THydrogen-bonded Turntrans-75.9-8.3172.472.1-89.3-147.500114.4F320 R324 F336F320-E322 WeakPolarHBondContact CA-OE2 3.46Å; F320-E322 WeakPolarHBondContact CD1-OE1 3.12Å; F320-E322 PolarHBondContact O-N 3.47Å; F320-E322 VanDerWaalsContact O-N 3.09Å; E322-R324 PolarHBondContact O-N 3.38Å; E322-F336 HydrophobicContact CG-CE2 3.99Å; E322-F336 HydrophobicContact CG-CZ 4.11Å
323F88.7Confident83.9Confident8 Ų867.8 Ų67.84%0.03534%0.335CS..  trans-65.5132.6175.2179.8-103.8000110.3I316 R317 F320 P321 G325 P327 N332 V333 F336I316-F323 HydrophobicContact CG2-CB 4.22Å; I316-F323 HydrophobicContact CG2-CD1 3.33Å; I316-F323 HydrophobicContact CG2-CD2 4.01Å; I316-F323 HydrophobicContact CG2-CE1 3.48Å; I316-F323 VanDerWaalsContact CG2-CE1 3.48Å; I316-F323 HydrophobicContact CG2-CE2 4.17Å; I316-F323 HydrophobicContact CG2-CG 3.59Å; I316-F323 HydrophobicContact CG2-CZ 3.91Å; R317-F323 HydrophobicContact CG-CB 4.24Å; R317-F323 HydrophobicContact CG-CD1 3.71Å; R317-F323 HydrophobicContact CG-CG 4.46Å; F320-F323 HydrophobicContact CB-CB 4.46Å; F320-F323 VanDerWaalsContact O-CB 3.26Å; F320-F323 WeakPolarHBondContact O-CB 3.33Å; F320-F323 PolarHBondContact O-N 3.11Å; P321-F323 VanDerWaalsContact C-N 3.28Å; F323-G325 WeakPolarHBondContact CE1-O 3.46Å; F323-P327 HydrophobicContact CE1-CB 4.04Å; F323-N332 HydrophobicContact CZ-CB 4.21Å; F323-V333 HydrophobicContact CZ-CG2 4.14Å; F323-F336 HydrophobicContact CB-CD2 4.48Å; F323-F336 HydrophobicContact CB-CE2 4.33Å; F323-F336 HydrophobicContact CB-CZ 4.47Å; F323-F336 HydrophobicContact CD2-CB 3.61Å; F323-F336 AromaticContact CD2-CD1 3.89Å; F323-F336 HydrophobicContact CD2-CD1 3.89Å; F323-F336 AromaticContact CD2-CD2 3.72Å; F323-F336 HydrophobicContact CD2-CD2 3.72Å; F323-F336 HydrophobicContact CD2-CE2 4.37Å; F323-F336 AromaticContact CD2-CG 3.45Å; F323-F336 HydrophobicContact CD2-CG 3.45Å; F323-F336 VanDerWaalsContact CD2-CG 3.45Å; F323-F336 HydrophobicContact CE2-CB 3.63Å; F323-F336 HydrophobicContact CE2-CG 4.01Å
324R87.8Confident84.4Confident207 Ų20763.9 Ų63.978%0.78131%0.309SS*.  trans-122.20.5-175-65-70.6179.2-94.42.7114P321 E322P321-R324 PolarHBondContact O-NH1 2.78Å; E322-R324 PolarHBondContact O-N 3.38Å
325G89.4Confident85.3Confident28 Ų2867.6 Ų67.629%0.28932%0.324SS..SBendtrans-92.4-170.8177.900000113.4F323 N332F323-G325 WeakPolarHBondContact CE1-O 3.46Å; G325-N332 WeakPolarHBondContact CA-OD1 3.44Å
326D89.7Confident85.7Confident69 Ų6966.5 Ų66.537%0.36932%0.318SS..  trans-78.7119.6170.1-174.5-18.1000110.2R328 L329 N332D326-R328 PolarHBondContact O-N 2.84Å; D326-R328 WeakPolarHBondContact OD1-CB 3.34Å; D326-R328 PolarHBondContact OD1-N 3.39Å; D326-L329 HydrophobicContact CB-CB 4.12Å; D326-L329 HydrophobicContact CB-CD1 3.8Å; D326-L329 HydrophobicContact CB-CG 3.9Å; D326-L329 PolarHBondContact O-N 3.01Å; D326-N332 PolarHBondContact N-OD1 3.13Å; D326-N332 WeakPolarHBondContact O-CB 3.05Å
327P86.1Confident86Confident10 Ų1066.4 Ų66.47%0.06532%0.317CS..THydrogen-bonded Turntrans-70.5-9.8-178.932.2-39.7000113.6I311 D315 I316 F323I311-P327 WeakPolarHBondContact CG2-O 3.44Å; D315-P327 WeakPolarHBondContact OD1-CB 3.19Å; I316-P327 HydrophobicContact CG2-CB 3.95Å; F323-P327 HydrophobicContact CE1-CB 4.04Å
328R87.3Confident86.2Confident133 Ų13361.6 Ų61.650%0.50230%0.302SS..THydrogen-bonded Turntrans-98.9-14179.3-57.2-55.7-166.8157.210.3113.4I311 R312 D326I311-R328 WeakPolarHBondContact CG2-O 3.46Å; I311-R328 WeakPolarHBondContact O-CD 3.49Å; I311-R328 PolarHBondContact O-NH1 3.5Å; R312-R328 PolarHBondContact O-NH1 3.37Å; D326-R328 PolarHBondContact O-N 2.84Å; D326-R328 WeakPolarHBondContact OD1-CB 3.34Å; D326-R328 PolarHBondContact OD1-N 3.39Å
329L88.9Confident86.7Confident89 Ų8959 Ų5947%0.46629%0.291SS..  trans-90.2124.4176.2-68.7177.4000110.7D326 D331 N332 V333D326-L329 HydrophobicContact CB-CB 4.12Å; D326-L329 HydrophobicContact CB-CD1 3.8Å; D326-L329 HydrophobicContact CB-CG 3.9Å; D326-L329 PolarHBondContact O-N 3.01Å; L329-D331 VanDerWaalsContact C-N 3.31Å; L329-D331 PolarHBondContact O-N 3Å; L329-N332 HydrophobicContact CB-CB 4.19Å; L329-N332 PolarHBondContact O-N 3.34Å; L329-V333 WeakPolarHBondContact O-CG2 3.21Å; L329-V333 PolarHBondContact O-N 2.73Å
330L85.9Confident87.5Confident52 Ų5257.8 Ų57.827%0.27229%0.286SS..Hα-helixtrans-57.1-45.7-179.2-179.565.4000111.7L307 V308 I311 N332 V333 Q334L307-L330 HydrophobicContact CD2-CD1 3.98Å; L307-L330 HydrophobicContact CG-CD1 4.12Å; V308-L330 HydrophobicContact CG2-CD1 3.93Å; V308-L330 HydrophobicContact CG2-CD2 3.79Å; V308-L330 HydrophobicContact CG2-CG 4.47Å; I311-L330 HydrophobicContact CD1-CB 4.42Å; I311-L330 HydrophobicContact CD1-CD1 3.59Å; L330-N332 PolarHBondContact O-N 3.39Å; L330-V333 PolarHBondContact O-N 2.88Å; L330-Q334 HydrophobicContact CD1-CG 3.99Å; L330-Q334 HydrophobicContact CG-CG 4.08Å; L330-Q334 VanDerWaalsContact O-CB 3.31Å; L330-Q334 WeakPolarHBondContact O-CB 3.19Å; L330-Q334 VanDerWaalsContact O-CG 3.3Å; L330-Q334 WeakPolarHBondContact O-CG 3.36Å; L330-Q334 PolarHBondContact O-N 2.95Å
331D89.6Confident87.8Confident115 Ų11557.4 Ų57.462%0.61528%0.284SS*.Hα-helixtrans-64.1-41.5-174.9-60-23.9000111.9L329 V333 Q334 E335L329-D331 VanDerWaalsContact C-N 3.31Å; L329-D331 PolarHBondContact O-N 3Å; D331-V333 PolarHBondContact O-N 2.78Å; D331-Q334 PolarHBondContact O-N 3.23Å; D331-E335 VanDerWaalsContact O-CB 3.28Å; D331-E335 WeakPolarHBondContact O-CB 3.36Å; D331-E335 PolarHBondContact O-N 3.02Å
332N89.3Confident87.9Confident53 Ų5354.9 Ų54.928%0.28327%0.269SS..Hα-helixtrans-62.6-44177.5-80.7-138.5000111.1F323 G325 D326 L329 L330 F336F323-N332 HydrophobicContact CZ-CB 4.21Å; G325-N332 WeakPolarHBondContact CA-OD1 3.44Å; D326-N332 PolarHBondContact N-OD1 3.13Å; D326-N332 WeakPolarHBondContact O-CB 3.05Å; L329-N332 HydrophobicContact CB-CB 4.19Å; L329-N332 PolarHBondContact O-N 3.34Å; L330-N332 PolarHBondContact O-N 3.39Å; N332-F336 WeakPolarHBondContact O-CB 3.38Å; N332-F336 PolarHBondContact O-N 3.26Å
333V86Confident88Confident3 Ų357.2 Ų57.22%0.01827%0.274CS..Hα-helixtrans-67.2-43.6177.5174.20000110.9L307 I311 I316 F323 L329 L330 D331 F336 L337L307-V333 HydrophobicContact CD1-CG1 4.19Å; I311-V333 HydrophobicContact CD1-CB 3.83Å; I311-V333 HydrophobicContact CD1-CG1 3.94Å; I311-V333 HydrophobicContact CD1-CG2 3.95Å; I311-V333 HydrophobicContact CG1-CG1 4.45Å; I311-V333 HydrophobicContact CG1-CG2 4.29Å; I316-V333 HydrophobicContact CD1-CG1 3.79Å; I316-V333 HydrophobicContact CG2-CG2 4.42Å; F323-V333 HydrophobicContact CZ-CG2 4.14Å; L329-V333 WeakPolarHBondContact O-CG2 3.21Å; L329-V333 PolarHBondContact O-N 2.73Å; L330-V333 PolarHBondContact O-N 2.88Å; D331-V333 PolarHBondContact O-N 2.78Å; V333-F336 PolarHBondContact O-N 2.91Å; V333-L337 HydrophobicContact CG1-CD1 4.42Å; V333-L337 VanDerWaalsContact O-CG 3.29Å; V333-L337 WeakPolarHBondContact O-CG 3.35Å; V333-L337 PolarHBondContact O-N 2.92Å
334Q85.8Confident87.9Confident25 Ų2559.6 Ų59.612%0.11728%0.284CS..Hα-helixtrans-61.6-46.4178-81.6-171.9-9.500112L307 L330 D331 L337 V338 F356L307-Q334 HydrophobicContact CD2-CG 4.24Å; L330-Q334 HydrophobicContact CD1-CG 3.99Å; L330-Q334 HydrophobicContact CG-CG 4.08Å; L330-Q334 VanDerWaalsContact O-CB 3.31Å; L330-Q334 WeakPolarHBondContact O-CB 3.19Å; L330-Q334 VanDerWaalsContact O-CG 3.3Å; L330-Q334 WeakPolarHBondContact O-CG 3.36Å; L330-Q334 PolarHBondContact O-N 2.95Å; D331-Q334 PolarHBondContact O-N 3.23Å; Q334-L337 WeakPolarHBondContact O-CB 3.45Å; Q334-L337 PolarHBondContact O-N 3.43Å; Q334-V338 WeakPolarHBondContact O-CG2 3.33Å; Q334-V338 PolarHBondContact O-N 2.96Å; Q334-F356 HydrophobicContact CB-CE1 3.73Å; Q334-F356 HydrophobicContact CB-CE2 4.06Å; Q334-F356 HydrophobicContact CB-CZ 3.42Å; Q334-F356 VanDerWaalsContact CB-CZ 3.42Å; Q334-F356 HydrophobicContact CG-CD1 3.96Å; Q334-F356 HydrophobicContact CG-CE1 3.5Å; Q334-F356 VanDerWaalsContact CG-CE1 3.5Å; Q334-F356 HydrophobicContact CG-CE2 4.29Å; Q334-F356 HydrophobicContact CG-CZ 3.7Å
335E89.8Confident87.9Confident113 Ų11350.9 Ų50.953%0.52825%0.251SS..Hα-helixtrans-61.4-46177.1-170.3-175.8174.300110.8D331 L337 V338 Q339D331-E335 VanDerWaalsContact O-CB 3.28Å; D331-E335 WeakPolarHBondContact O-CB 3.36Å; D331-E335 PolarHBondContact O-N 3.02Å; E335-L337 VanDerWaalsContact C-N 3.29Å; E335-L337 PolarHBondContact O-N 3.11Å; E335-V338 PolarHBondContact O-N 3.01Å; E335-Q339 HydrophobicContact CG-CG 4.34Å; E335-Q339 WeakPolarHBondContact O-CB 3.4Å; E335-Q339 VanDerWaalsContact O-CG 3.32Å; E335-Q339 WeakPolarHBondContact O-CG 3.41Å; E335-Q339 PolarHBondContact O-N 3.24Å; E335-Q339 PolarHBondContact OE1-NE2 3.47Å
336F88.3Confident87.8Confident12 Ų1259.7 Ų59.75%0.05328%0.276CS..Hα-helixtrans-57.4-41.9175.7172.1-103.3000112.6I316 F320 E322 F323 N332 V333 Q339 S340I316-F336 HydrophobicContact CD1-CD1 3.82Å; I316-F336 HydrophobicContact CD1-CE1 4.1Å; F320-F336 HydrophobicContact CB-CE1 3.77Å; F320-F336 HydrophobicContact CB-CZ 3.61Å; F320-F336 AromaticContact CD1-CE1 3.98Å; F320-F336 HydrophobicContact CD1-CE1 3.98Å; F320-F336 AromaticContact CD1-CZ 3.84Å; F320-F336 HydrophobicContact CD1-CZ 3.84Å; F320-F336 HydrophobicContact CD2-CE1 4.2Å; F320-F336 AromaticContact CG-CE1 3.69Å; F320-F336 HydrophobicContact CG-CE1 3.69Å; F320-F336 AromaticContact CG-CZ 3.8Å; F320-F336 HydrophobicContact CG-CZ 3.8Å; E322-F336 HydrophobicContact CG-CE2 3.99Å; E322-F336 HydrophobicContact CG-CZ 4.11Å; F323-F336 HydrophobicContact CB-CD2 4.48Å; F323-F336 HydrophobicContact CB-CE2 4.33Å; F323-F336 HydrophobicContact CB-CZ 4.47Å; F323-F336 HydrophobicContact CD2-CB 3.61Å; F323-F336 AromaticContact CD2-CD1 3.89Å; F323-F336 HydrophobicContact CD2-CD1 3.89Å; F323-F336 AromaticContact CD2-CD2 3.72Å; F323-F336 HydrophobicContact CD2-CD2 3.72Å; F323-F336 HydrophobicContact CD2-CE2 4.37Å; F323-F336 AromaticContact CD2-CG 3.45Å; F323-F336 HydrophobicContact CD2-CG 3.45Å; F323-F336 VanDerWaalsContact CD2-CG 3.45Å; F323-F336 HydrophobicContact CE2-CB 3.63Å; F323-F336 HydrophobicContact CE2-CG 4.01Å; N332-F336 WeakPolarHBondContact O-CB 3.38Å; N332-F336 PolarHBondContact O-N 3.26Å; V333-F336 PolarHBondContact O-N 2.91Å; F336-Q339 PolarHBondContact O-N 3.4Å; F336-S340 WeakPolarHBondContact CZ-OG 3.47Å; F336-S340 WeakPolarHBondContact O-CB 3.48Å; F336-S340 PolarHBondContact O-N 3.42Å; F336-S340 PolarHBondContact O-OG 3.38Å
337L85.6Confident87.3Confident3 Ų360.8 Ų60.82%0.01628%0.281CS..Hα-helixtrans-61.1-50.2176.7-69.4174.2000110.7L276 L301 L307 V333 Q334 E335 Q339 S340 F341L276-L337 HydrophobicContact CD1-CD2 4.34Å; L276-L337 HydrophobicContact CD2-CD2 3.49Å; L276-L337 VanDerWaalsContact CD2-CD2 3.49Å; L301-L337 HydrophobicContact CD2-CB 4Å; L301-L337 HydrophobicContact CD2-CD1 4.32Å; L307-L337 HydrophobicContact CD2-CD1 4.15Å; V333-L337 HydrophobicContact CG1-CD1 4.42Å; V333-L337 VanDerWaalsContact O-CG 3.29Å; V333-L337 WeakPolarHBondContact O-CG 3.35Å; V333-L337 PolarHBondContact O-N 2.92Å; Q334-L337 WeakPolarHBondContact O-CB 3.45Å; Q334-L337 PolarHBondContact O-N 3.43Å; E335-L337 VanDerWaalsContact C-N 3.29Å; E335-L337 PolarHBondContact O-N 3.11Å; L337-Q339 VanDerWaalsContact C-N 3.34Å; L337-Q339 PolarHBondContact O-N 3.1Å; L337-S340 WeakPolarHBondContact O-CB 3.45Å; L337-S340 PolarHBondContact O-N 3.49Å; L337-S340 VanDerWaalsContact O-N 3.16Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.3Å; L337-F341 PolarHBondContact O-N 2.94Å; L337-F341 VanDerWaalsContact O-N 3.09Å
338V87.4Confident86.9Confident22 Ų2267.9 Ų67.913%0.13331%0.307CS..Hα-helixtrans-59.4-45.7178.9173.10000111L301 Q334 E335 S340 F341 S342 H354 F356L301-V338 HydrophobicContact CD1-CG2 3.78Å; Q334-V338 WeakPolarHBondContact O-CG2 3.33Å; Q334-V338 PolarHBondContact O-N 2.96Å; E335-V338 PolarHBondContact O-N 3.01Å; V338-S340 VanDerWaalsContact C-N 3.31Å; V338-S340 PolarHBondContact O-N 3.21Å; V338-F341 PolarHBondContact O-N 2.88Å; V338-S342 WeakPolarHBondContact O-CB 3.28Å; V338-S342 PolarHBondContact O-N 3.3Å; V338-H354 WeakPolarHBondContact CG2-CD2 3.4Å; V338-F356 HydrophobicContact CG2-CE1 4.49Å; V338-F356 HydrophobicContact CG2-CE2 4.21Å; V338-F356 HydrophobicContact CG2-CZ 3.61Å
339Q89.7Confident86.3Confident74 Ų7465 Ų6535%0.34632%0.319SS..Hα-helixtrans-60.1-41.9176.5-72.2-174.613.400111.6E335 F336 L337 F341 S342 R343E335-Q339 HydrophobicContact CG-CG 4.34Å; E335-Q339 WeakPolarHBondContact O-CB 3.4Å; E335-Q339 VanDerWaalsContact O-CG 3.32Å; E335-Q339 WeakPolarHBondContact O-CG 3.41Å; E335-Q339 PolarHBondContact O-N 3.24Å; E335-Q339 PolarHBondContact OE1-NE2 3.47Å; F336-Q339 PolarHBondContact O-N 3.4Å; L337-Q339 VanDerWaalsContact C-N 3.34Å; L337-Q339 PolarHBondContact O-N 3.1Å; Q339-F341 PolarHBondContact O-N 3.15Å; Q339-S342 WeakPolarHBondContact O-CB 3.45Å; Q339-S342 PolarHBondContact O-N 3.27Å; Q339-R343 WeakPolarHBondContact O-CB 3.24Å; Q339-R343 VanDerWaalsContact O-CG 3.25Å; Q339-R343 WeakPolarHBondContact O-CG 3.15Å; Q339-R343 PolarHBondContact O-N 3.27Å
340S87.4Confident85.6Confident11 Ų1165.4 Ų65.48%0.07732%0.317CS..Hα-helixtrans-62.3-41.2179.1-62.10000112.3F336 L337 V338F336-S340 WeakPolarHBondContact CZ-OG 3.47Å; F336-S340 WeakPolarHBondContact O-CB 3.48Å; F336-S340 PolarHBondContact O-N 3.42Å; F336-S340 PolarHBondContact O-OG 3.38Å; L337-S340 WeakPolarHBondContact O-CB 3.45Å; L337-S340 PolarHBondContact O-N 3.49Å; L337-S340 VanDerWaalsContact O-N 3.16Å; V338-S340 VanDerWaalsContact C-N 3.31Å; V338-S340 PolarHBondContact O-N 3.21Å
341F85.8Confident85.3Confident0 Ų067.3 Ų67.30%033%0.332CS..Hα-helixtrans-69.2-41.2172.2-77.9-82.6000112.1V252 L276 M280 F283 L299 L301 L337 V338 Q339 R343 K344 L352V252-F341 HydrophobicContact CB-CE1 4.23Å; V252-F341 HydrophobicContact CB-CZ 4.13Å; V252-F341 HydrophobicContact CG1-CE1 3.69Å; V252-F341 HydrophobicContact CG1-CE2 3.6Å; V252-F341 HydrophobicContact CG1-CZ 3.13Å; V252-F341 HydrophobicContact CG2-CD1 4.16Å; V252-F341 HydrophobicContact CG2-CE1 3.55Å; V252-F341 HydrophobicContact CG2-CZ 3.95Å; L276-F341 HydrophobicContact CD1-CE2 3.98Å; L276-F341 HydrophobicContact CD1-CZ 4Å; M280-F341 HydrophobicContact CB-CE1 4.16Å; M280-F341 HydrophobicContact CB-CZ 4.4Å; M280-F341 HydrophobicContact CE-CD2 4.44Å; M280-F341 HydrophobicContact CE-CE2 3.97Å; M280-F341 HydrophobicContact CE-CZ 4.31Å; M280-F341 HydrophobicContact CG-CD1 4.14Å; M280-F341 HydrophobicContact CG-CE1 3.59Å; M280-F341 HydrophobicContact CG-CE2 3.98Å; M280-F341 HydrophobicContact CG-CZ 3.43Å; M280-F341 VanDerWaalsContact CG-CZ 3.43Å; F283-F341 HydrophobicContact CB-CD1 3.88Å; F283-F341 HydrophobicContact CB-CE1 3.98Å; F283-F341 HydrophobicContact CD1-CB 4.32Å; F283-F341 AromaticContact CD1-CD1 3.69Å; F283-F341 HydrophobicContact CD1-CD1 3.69Å; F283-F341 HydrophobicContact CD2-CD1 4.46Å; F283-F341 HydrophobicContact CE1-CB 4.19Å; F283-F341 HydrophobicContact CE1-CD1 4.33Å; F283-F341 VanDerWaalsContact CE1-O 3.28Å; F283-F341 WeakPolarHBondContact CE1-O 3.2Å; F283-F341 AromaticContact CG-CD1 3.74Å; F283-F341 HydrophobicContact CG-CD1 3.74Å; F283-F341 HydrophobicContact CG-CE1 4.33Å; L299-F341 HydrophobicContact CD1-CD1 4.38Å; L299-F341 HydrophobicContact CD2-CB 3.64Å; L299-F341 HydrophobicContact CD2-CD1 4.37Å; L299-F341 HydrophobicContact CD2-CD2 4.16Å; L299-F341 HydrophobicContact CD2-CG 3.79Å; L301-F341 HydrophobicContact CD2-CE2 4.45Å; L337-F341 VanDerWaalsContact O-CD2 3.23Å; L337-F341 WeakPolarHBondContact O-CD2 3.3Å; L337-F341 PolarHBondContact O-N 2.94Å; L337-F341 VanDerWaalsContact O-N 3.09Å; V338-F341 PolarHBondContact O-N 2.88Å; Q339-F341 PolarHBondContact O-N 3.15Å; F341-R343 VanDerWaalsContact C-N 3.27Å; F341-R343 PolarHBondContact O-N 3.33Å; F341-K344 WeakPolarHBondContact O-CB 3.32Å; F341-K344 PolarHBondContact O-N 2.92Å; F341-K344 VanDerWaalsContact O-N 3.14Å; F341-L352 HydrophobicContact CB-CD2 4.38Å
342S88.4Confident84.9Confident39 Ų3962.9 Ų62.927%0.27331%0.308SS..Hα-helixtrans-59.5-38.8177.1-170.20000112V338 Q339 K344 R345V338-S342 WeakPolarHBondContact O-CB 3.28Å; V338-S342 PolarHBondContact O-N 3.3Å; Q339-S342 WeakPolarHBondContact O-CB 3.45Å; Q339-S342 PolarHBondContact O-N 3.27Å; S342-K344 PolarHBondContact O-N 2.86Å; S342-R345 WeakPolarHBondContact O-CB 3.18Å; S342-R345 PolarHBondContact O-N 3.28Å
343R90.2Very high84.6Confident135 Ų13563.2 Ų63.251%0.50931%0.307SS..Hα-helixtrans-60.9-28.1178-75.5172-169.5-169.85.5113.4Q339 F341 R345 R348Q339-R343 WeakPolarHBondContact O-CB 3.24Å; Q339-R343 VanDerWaalsContact O-CG 3.25Å; Q339-R343 WeakPolarHBondContact O-CG 3.15Å; Q339-R343 PolarHBondContact O-N 3.27Å; F341-R343 VanDerWaalsContact C-N 3.27Å; F341-R343 PolarHBondContact O-N 3.33Å; R343-R345 PolarHBondContact O-N 3.16Å; R343-R348 PolarHBondContact O-NH2 3.39Å
344K87.8Confident84.4Confident59 Ų5966.2 Ų66.226%0.25732%0.321SS..THydrogen-bonded Turntrans-73.5-8.8177.1-64.2-54.8-158.3155.10114.3M280 F283 E284 N288 F341 S342M280-K344 HydrophobicContact CB-CG 4.4Å; F283-K344 HydrophobicContact CD1-CB 4.22Å; E284-K344 HydrophobicContact CB-CB 4.01Å; E284-K344 HydrophobicContact CB-CD 4.37Å; E284-K344 HydrophobicContact CB-CG 4.36Å; E284-K344 HydrophobicContact CG-CB 4.28Å; E284-K344 HydrophobicContact CG-CD 4.42Å; E284-K344 WeakPolarHBondContact OE2-CD 3.08Å; E284-K344 WeakPolarHBondContact OE2-CE 3.44Å; E284-K344 IonicContact OE2-NZ 4Å; E284-K344 PolarHBondContact OE2-NZ 3.43Å; N288-K344 PolarHBondContact ND2-O 2.57Å; F341-K344 WeakPolarHBondContact O-CB 3.32Å; F341-K344 PolarHBondContact O-N 2.92Å; F341-K344 VanDerWaalsContact O-N 3.14Å; S342-K344 PolarHBondContact O-N 2.86Å
345R87.7Confident84.2Confident24 Ų2466.8 Ų66.89%0.09132%0.323CS..  trans-86.7126.9179.7-58.5-178.451.2-163.6-13.8111F283 V287 S342 R343 N347 K350 P351 L352F283-R345 HydrophobicContact CE1-CG 3.94Å; F283-R345 HydrophobicContact CZ-CG 4.29Å; V287-R345 HydrophobicContact CB-CG 4.48Å; V287-R345 HydrophobicContact CG1-CG 3.98Å; V287-R345 HydrophobicContact CG2-CG 3.75Å; S342-R345 WeakPolarHBondContact O-CB 3.18Å; S342-R345 PolarHBondContact O-N 3.28Å; R343-R345 PolarHBondContact O-N 3.16Å; R345-N347 PolarHBondContact NE-O 2.99Å; R345-N347 PolarHBondContact NH2-O 3.46Å; R345-K350 VanDerWaalsContact CZ-O 3.25Å; R345-K350 PolarHBondContact NH1-O 3.05Å; R345-K350 PolarHBondContact NH2-O 2.95Å; R345-P351 PolarHBondContact NH1-O 2.89Å; R345-L352 VanDerWaalsContact NH1-CA 3.28Å; R345-L352 VanDerWaalsContact NH1-CB 3.32Å
346R86.9Confident83.8Confident213 Ų21363.7 Ų63.780%0.80431%0.308SS*.SBendtrans-71.5-44.2170.2-68.2179.1-175.9-176.7-0.5111.6N288N288-R346 WeakPolarHBondContact OD1-CB 3.33Å; N288-R346 WeakPolarHBondContact OD1-CG 3.38Å; N288-R346 PolarHBondContact OD1-N 3.15Å
347N79.1Confident83.1Confident91 Ų9163.1 Ų63.149%0.48731%0.306SS..  trans-94.1108.8175.2-175.4-1.5000110.5R345 G349R345-N347 PolarHBondContact NE-O 2.99Å; R345-N347 PolarHBondContact NH2-O 3.46Å; N347-G349 PolarHBondContact OD1-N 3.38Å
348R78.6Confident82.5Confident160 Ų16064.3 Ų64.360%0.60431%0.313SS*.  trans-100.73177.5-61.2-174.1-176176.64.6114R343 K350R343-R348 PolarHBondContact O-NH2 3.39Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 3Å
349G75.1Confident81.3Confident72 Ų7263.6 Ų63.674%0.74231%0.31SS*.SBendtrans-70.5-24.9179.400000114.1N347N347-G349 PolarHBondContact OD1-N 3.38Å
350K73Confident80.2Confident98 Ų9862.3 Ų62.343%0.42631%0.307SS..SBendtrans-92.5135.7171-66.3-175.8178.1-177.80110.3L293 R345 R348L293-K350 PolarHBondContact O-NZ 3.33Å; L293-K350 VanDerWaalsContact O-NZ 3.14Å; R345-K350 VanDerWaalsContact CZ-O 3.25Å; R345-K350 PolarHBondContact NH1-O 3.05Å; R345-K350 PolarHBondContact NH2-O 2.95Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-K350 PolarHBondContact O-N 3Å
351P79.4Confident79.5Confident91 Ų9165.3 Ų65.359%0.59132%0.322SS*.  trans-59.9150.3174.925.8-33.7000111.6R345 F353R345-P351 PolarHBondContact NH1-O 2.89Å; P351-F353 HydrophobicContact CG-CE1 4.4Å; P351-F353 HydrophobicContact CG-CE2 4.15Å; P351-F353 HydrophobicContact CG-CZ 3.89Å; P351-F353 PolarHBondContact O-N 2.81Å
352L82Confident79Confident23 Ų2367.5 Ų67.512%0.1234%0.335CS..  trans-89.997172.6-17855.5000108.7F283 L299 F341 R345 H354F283-L352 HydrophobicContact CZ-CD1 3.96Å; L299-L352 HydrophobicContact CB-CD1 4.19Å; L299-L352 HydrophobicContact CD2-CD2 4.03Å; F341-L352 HydrophobicContact CB-CD2 4.38Å; R345-L352 VanDerWaalsContact NH1-CA 3.28Å; R345-L352 VanDerWaalsContact NH1-CB 3.32Å; L352-H354 PolarHBondContact O-N 2.97Å; L352-H354 PolarHBondContact O-ND1 3.44Å
353F82.3Confident78.5Confident59 Ų5971.1 Ų71.126%0.25935%0.348SS..EExtended strand (participates in β ladder)trans-63.5125171.1-62.3-70.7000109.3I298 L299 P351 T375I298-F353 WeakPolarHBondContact CA-O 3.42Å; I298-F353 HydrophobicContact CB-CB 4.46Å; I298-F353 HydrophobicContact CG1-CB 4.05Å; I298-F353 HydrophobicContact CG2-CB 4.27Å; L299-F353 PolarHBondContact N-O 3.35Å; P351-F353 HydrophobicContact CG-CE1 4.4Å; P351-F353 HydrophobicContact CG-CE2 4.15Å; P351-F353 HydrophobicContact CG-CZ 3.89Å; P351-F353 PolarHBondContact O-N 2.81Å; F353-T375 HydrophobicContact CD1-CG2 3.76Å; F353-T375 HydrophobicContact CD2-CG2 3.88Å; F353-T375 HydrophobicContact CE1-CG2 3.59Å; F353-T375 HydrophobicContact CE2-CG2 3.7Å; F353-T375 HydrophobicContact CG-CG2 3.9Å; F353-T375 HydrophobicContact CZ-CG2 3.55Å
354H83.3Confident77.9Confident67 Ų6766.6 Ų66.631%0.3133%0.334SS..EExtended strand (participates in β ladder)trans-146.4150-179.366.7-79.7000111.5L299 L301 V338 L352L299-H354 HydrophobicContact CB-CB 3.92Å; L299-H354 HydrophobicContact CD2-CB 4.35Å; L299-H354 HydrophobicContact CG-CB 4.32Å; L299-H354 CarbonylContact O-C 3.47Å; L299-H354 WeakPolarHBondContact O-CA 3.48Å; L299-H354 WeakPolarHBondContact O-CB 3.33Å; L301-H354 HydrophobicContact CD1-CB 4.42Å; V338-H354 WeakPolarHBondContact CG2-CD2 3.4Å; L352-H354 PolarHBondContact O-N 2.97Å; L352-H354 PolarHBondContact O-ND1 3.44Å
355H81.1Confident77.3Confident36 Ų3663.8 Ų63.817%0.16732%0.322CS..EExtended strand (participates in β ladder)trans-139.5137.2173.4-54.7-89000111.2L299 F300 L301 T357 V368L299-H355 PolarHBondContact O-N 3.17Å; F300-H355 WeakPolarHBondContact CA-O 3.36Å; F300-H355 HydrophobicContact CD1-CB 3.91Å; F300-H355 HydrophobicContact CE1-CB 4.06Å; F300-H355 AromaticContact CE1-CD2 3.71Å; L301-H355 PolarHBondContact N-O 3.45Å; H355-T357 HydrophobicContact CB-CG2 4.27Å; H355-V368 HydrophobicContact CB-CB 4.49Å; H355-V368 HydrophobicContact CB-CG1 3.73Å; H355-V368 HydrophobicContact CB-CG2 3.91Å
356F79.9Confident76.8Confident49 Ų4966.9 Ų66.922%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-79.2128.1166.1-63.6-77.4000108.7L301 T304 Q334 V338L301-F356 HydrophobicContact CB-CD1 3.64Å; L301-F356 HydrophobicContact CB-CE1 3.84Å; L301-F356 HydrophobicContact CD1-CD1 4.12Å; L301-F356 HydrophobicContact CD1-CE1 3.62Å; L301-F356 HydrophobicContact CD1-CZ 3.91Å; L301-F356 HydrophobicContact CD2-CE1 4.33Å; L301-F356 HydrophobicContact CG-CD1 4.4Å; L301-F356 HydrophobicContact CG-CE1 4.12Å; L301-F356 WeakPolarHBondContact O-CA 3.48Å; T304-F356 HydrophobicContact CG2-CB 4.38Å; Q334-F356 HydrophobicContact CB-CE1 3.73Å; Q334-F356 HydrophobicContact CB-CE2 4.06Å; Q334-F356 HydrophobicContact CB-CZ 3.42Å; Q334-F356 VanDerWaalsContact CB-CZ 3.42Å; Q334-F356 HydrophobicContact CG-CD1 3.96Å; Q334-F356 HydrophobicContact CG-CE1 3.5Å; Q334-F356 VanDerWaalsContact CG-CE1 3.5Å; Q334-F356 HydrophobicContact CG-CE2 4.29Å; Q334-F356 HydrophobicContact CG-CZ 3.7Å; V338-F356 HydrophobicContact CG2-CE1 4.49Å; V338-F356 HydrophobicContact CG2-CE2 4.21Å; V338-F356 HydrophobicContact CG2-CZ 3.61Å
357T74.6Confident76.5Confident0 Ų063.8 Ų63.80%033%0.326CS..EExtended strand (participates in β ladder)trans-136.6143.1-171.947.20000112.8R251 F300 L301 N302 K303 T304 H355 N364 I365 V368R251-T357 PolarHBondContact NH1-OG1 3.42Å; R251-T357 VanDerWaalsContact NH2-CB 3.28Å; R251-T357 PolarHBondContact NH2-OG1 3.44Å; F300-T357 HydrophobicContact CD1-CG2 4.08Å; L301-T357 PolarHBondContact O-N 2.68Å; L301-T357 PolarHBondContact O-OG1 2.99Å; N302-T357 CarbonylContact C-O 3.56Å; N302-T357 VanDerWaalsContact CA-O 3.26Å; N302-T357 WeakPolarHBondContact CA-O 3.22Å; N302-T357 PolarHBondContact OD1-O 3.2Å; K303-T357 PolarHBondContact N-O 3.38Å; T304-T357 PolarHBondContact N-O 3.19Å; T304-T357 PolarHBondContact OG1-N 3.46Å; T304-T357 PolarHBondContact OG1-O 2.93Å; H355-T357 HydrophobicContact CB-CG2 4.27Å; T357-N364 WeakPolarHBondContact CA-OD1 3.34Å; T357-I365 HydrophobicContact CG2-CD1 4Å; T357-V368 HydrophobicContact CG2-CB 4.11Å; T357-V368 HydrophobicContact CG2-CG1 3.77Å; T357-V368 HydrophobicContact CG2-CG2 3.79Å
358T72.9Confident76.4Confident28 Ų2859.6 Ų59.617%0.17230%0.304CS..  trans-114.3100.4168.6-60.90000106.9D305 V360 D361 N364D305-T358 HydrophobicContact CB-CG2 3.97Å; T358-V360 HydrophobicContact CG2-CB 4.35Å; T358-V360 PolarHBondContact O-N 3.15Å; T358-D361 HydrophobicContact CG2-CB 4.15Å; T358-D361 WeakPolarHBondContact O-CB 3.14Å; T358-D361 PolarHBondContact O-N 3.43Å; T358-N364 PolarHBondContact N-OD1 3.35Å
359A61.5Low76.2Confident7 Ų752.8 Ų52.86%0.05828%0.279CS..THydrogen-bonded Turntrans-61.8-15.6-173.400000114.8T75 Q79 N302T75-A359 HydrophobicContact CG2-CB 3.81Å; Q79-A359 WeakPolarHBondContact CG-O 3.3Å; Q79-A359 PolarHBondContact NE2-O 3.07Å; N302-A359 WeakPolarHBondContact OD1-CB 3.17Å; N302-A359 PolarHBondContact OD1-N 2.69Å
360V66.7Low76.2Confident46 Ų4653.7 Ų53.728%0.27926%0.263SS..THydrogen-bonded Turntrans-78-28.7174.6-177.10000111.3Q79 F208 T358 T362Q79-V360 PolarHBondContact NE2-O 3.21Å; F208-V360 HydrophobicContact CE1-CG1 4.16Å; F208-V360 HydrophobicContact CE1-CG2 3.6Å; F208-V360 HydrophobicContact CE2-CG1 4.13Å; F208-V360 HydrophobicContact CZ-CB 4.3Å; F208-V360 HydrophobicContact CZ-CG1 3.44Å; F208-V360 VanDerWaalsContact CZ-CG1 3.44Å; F208-V360 HydrophobicContact CZ-CG2 3.8Å; T358-V360 HydrophobicContact CG2-CB 4.35Å; T358-V360 PolarHBondContact O-N 3.15Å; V360-T362 PolarHBondContact O-N 3.04Å
361D73.9Confident76.3Confident75 Ų7550.3 Ų50.340%0.40125%0.253SS..  trans-86108.9-178.5-179.9-9.9000110.3T358 E363 N364 I365T358-D361 HydrophobicContact CG2-CB 4.15Å; T358-D361 WeakPolarHBondContact O-CB 3.14Å; T358-D361 PolarHBondContact O-N 3.43Å; D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.46Å; D361-E363 PolarHBondContact OD1-N 3.25Å; D361-N364 HydrophobicContact CB-CB 3.86Å; D361-N364 VanDerWaalsContact CG-CB 3.49Å; D361-N364 PolarHBondContact OD1-N 3.17Å; D361-N364 VanDerWaalsContact OD1-N 3.11Å; D361-N364 WeakPolarHBondContact OD2-CB 3.44Å; D361-I365 WeakPolarHBondContact O-CG1 3.46Å; D361-I365 PolarHBondContact O-N 2.92Å; D361-I365 VanDerWaalsContact O-N 3.11Å
362T75.3Confident76Confident46 Ų4646.1 Ų46.128%0.28223%0.226SC..Hα-helixtrans-63.4-38.1-178.8-510000112.2Q79 I83 V360 I365 R366Q79-T362 PolarHBondContact NE2-OG1 3.02Å; Q79-T362 PolarHBondContact OE1-OG1 3.09Å; I83-T362 HydrophobicContact CD1-CG2 4.48Å; I83-T362 HydrophobicContact CG1-CG2 4.08Å; V360-T362 PolarHBondContact O-N 3.04Å; T362-I365 PolarHBondContact O-N 3.49Å; T362-R366 WeakPolarHBondContact O-CB 3.26Å; T362-R366 PolarHBondContact O-N 3.08Å
363E77.1Confident75.5Confident114 Ų11450 Ų5053%0.53324%0.242SC..Hα-helixtrans-74.6-39.6-177.4-71.5-55.4117.200111.1D361 I365 R366 F367D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.46Å; D361-E363 PolarHBondContact OD1-N 3.25Å; E363-I365 VanDerWaalsContact C-N 3.33Å; E363-I365 PolarHBondContact O-N 3.36Å; E363-R366 WeakPolarHBondContact O-CB 3.37Å; E363-R366 PolarHBondContact O-N 3.42Å; E363-R366 IonicContact OE1-CZ 3.69Å; E363-R366 IonicContact OE1-NE 3.85Å; E363-R366 PolarHBondContact OE1-NE 3.37Å; E363-R366 VanDerWaalsContact OE1-NE 3.09Å; E363-R366 IonicContact OE1-NH2 3.92Å; E363-R366 IonicContact OE2-NE 3.71Å; E363-F367 PolarHBondContact O-N 2.71Å
364N76.9Confident75.2Confident41 Ų4151 Ų5122%0.21925%0.25CS..Hα-helixtrans-59.2-44.4171.2177.6-112.4000111.7T357 T358 D361 V368T357-N364 WeakPolarHBondContact CA-OD1 3.34Å; T358-N364 PolarHBondContact N-OD1 3.35Å; D361-N364 HydrophobicContact CB-CB 3.86Å; D361-N364 VanDerWaalsContact CG-CB 3.49Å; D361-N364 PolarHBondContact OD1-N 3.17Å; D361-N364 VanDerWaalsContact OD1-N 3.11Å; D361-N364 WeakPolarHBondContact OD2-CB 3.44Å; N364-V368 WeakPolarHBondContact O-CB 3.11Å; N364-V368 VanDerWaalsContact O-CG2 3.26Å; N364-V368 WeakPolarHBondContact O-CG2 3.27Å; N364-V368 PolarHBondContact O-N 3.41Å
365I77Confident74.6Confident0 Ų048.7 Ų48.70%024%0.241CC..Hα-helixtrans-68.1-36.5177-64.8-55.8000111.9F76 Q79 M80 I83 T357 D361 T362 E363 F369F76-I365 HydrophobicContact CD2-CD1 4.05Å; F76-I365 HydrophobicContact CD2-CG2 4.3Å; F76-I365 HydrophobicContact CE2-CD1 4.15Å; F76-I365 HydrophobicContact CE2-CG2 4.04Å; Q79-I365 HydrophobicContact CB-CB 4.46Å; Q79-I365 HydrophobicContact CB-CG2 3.85Å; Q79-I365 HydrophobicContact CG-CG1 4.34Å; Q79-I365 HydrophobicContact CG-CG2 4.43Å; M80-I365 HydrophobicContact CE-CG2 3.37Å; I83-I365 HydrophobicContact CD1-CB 4.2Å; I83-I365 HydrophobicContact CD1-CG2 3.73Å; T357-I365 HydrophobicContact CG2-CD1 4Å; D361-I365 WeakPolarHBondContact O-CG1 3.46Å; D361-I365 PolarHBondContact O-N 2.92Å; D361-I365 VanDerWaalsContact O-N 3.11Å; T362-I365 PolarHBondContact O-N 3.49Å; E363-I365 VanDerWaalsContact C-N 3.33Å; E363-I365 PolarHBondContact O-N 3.36Å; I365-F369 WeakPolarHBondContact O-CB 3.27Å; I365-F369 PolarHBondContact O-N 3.2Å
366R76.6Confident74.1Confident88 Ų8847.2 Ų47.233%0.33223%0.234SC..Hα-helixtrans-59.6-52.8174.5-177.9-170.6-64.3-79.91.7110.8I83 T362 E363 V368 F369 H370I83-R366 HydrophobicContact CD1-CB 4.18Å; I83-R366 HydrophobicContact CG2-CG 4.4Å; T362-R366 WeakPolarHBondContact O-CB 3.26Å; T362-R366 PolarHBondContact O-N 3.08Å; E363-R366 WeakPolarHBondContact O-CB 3.37Å; E363-R366 PolarHBondContact O-N 3.42Å; E363-R366 IonicContact OE1-CZ 3.69Å; E363-R366 IonicContact OE1-NE 3.85Å; E363-R366 PolarHBondContact OE1-NE 3.37Å; E363-R366 VanDerWaalsContact OE1-NE 3.09Å; E363-R366 IonicContact OE1-NH2 3.92Å; E363-R366 IonicContact OE2-NE 3.71Å; R366-V368 PolarHBondContact O-N 2.95Å; R366-F369 PolarHBondContact O-N 3.08Å; R366-H370 PolarHBondContact O-CD2 3.25Å; R366-H370 PolarHBondContact O-N 3.39Å
367F80.1Confident73.5Confident148 Ų14848.4 Ų48.465%0.64924%0.243SC*.Hα-helixtrans-58.2-49.6178.5177.6-95.9000111.9E363 F369 H370 A371E363-F367 PolarHBondContact O-N 2.71Å; F367-F369 VanDerWaalsContact C-N 3.27Å; F367-F369 PolarHBondContact O-N 2.93Å; F367-H370 PolarHBondContact O-N 3.02Å; F367-A371 PolarHBondContact O-N 2.92Å
368V76.5Confident73.3Confident3 Ų354.2 Ų54.22%0.01827%0.27CS..Hα-helixtrans-62.8-37.1-179.8168.30000111.5F300 H355 T357 N364 R366 A371 V372F300-V368 HydrophobicContact CD1-CG1 3.99Å; F300-V368 HydrophobicContact CE1-CG1 3.17Å; F300-V368 HydrophobicContact CZ-CG1 3.75Å; H355-V368 HydrophobicContact CB-CB 4.49Å; H355-V368 HydrophobicContact CB-CG1 3.73Å; H355-V368 HydrophobicContact CB-CG2 3.91Å; T357-V368 HydrophobicContact CG2-CB 4.11Å; T357-V368 HydrophobicContact CG2-CG1 3.77Å; T357-V368 HydrophobicContact CG2-CG2 3.79Å; N364-V368 WeakPolarHBondContact O-CB 3.11Å; N364-V368 VanDerWaalsContact O-CG2 3.26Å; N364-V368 WeakPolarHBondContact O-CG2 3.27Å; N364-V368 PolarHBondContact O-N 3.41Å; R366-V368 PolarHBondContact O-N 2.95Å; V368-A371 PolarHBondContact O-N 2.66Å; V368-V372 HydrophobicContact CG1-CG2 4.32Å; V368-V372 WeakPolarHBondContact O-CB 3.44Å; V368-V372 WeakPolarHBondContact O-CG2 3.45Å; V368-V372 PolarHBondContact O-N 2.8Å
369F74.9Confident73Confident18 Ų1855.4 Ų55.48%0.07927%0.273CS..Hα-helixtrans-68.1-39.4176.6-177.7-109.2000112.8I63 M80 P226 I365 R366 F367 V372 K373I63-F369 HydrophobicContact CD1-CE2 4.5Å; M80-F369 HydrophobicContact CE-CB 3.73Å; M80-F369 HydrophobicContact CE-CD1 4.44Å; M80-F369 HydrophobicContact CE-CD2 3.76Å; M80-F369 HydrophobicContact CE-CE2 4.48Å; M80-F369 HydrophobicContact CE-CG 3.72Å; M80-F369 HydrophobicContact SD-CB 4.35Å; M80-F369 HydrophobicContact SD-CD1 4.19Å; M80-F369 HydrophobicContact SD-CD2 3.25Å; M80-F369 WeakPolarHBondContact SD-CD2 3.47Å; M80-F369 HydrophobicContact SD-CE1 4.31Å; M80-F369 HydrophobicContact SD-CE2 3.4Å; M80-F369 WeakPolarHBondContact SD-CE2 3.12Å; M80-F369 HydrophobicContact SD-CG 3.67Å; M80-F369 HydrophobicContact SD-CZ 3.93Å; P226-F369 HydrophobicContact CG-CZ 4.11Å; I365-F369 WeakPolarHBondContact O-CB 3.27Å; I365-F369 PolarHBondContact O-N 3.2Å; R366-F369 PolarHBondContact O-N 3.08Å; F367-F369 VanDerWaalsContact C-N 3.27Å; F367-F369 PolarHBondContact O-N 2.93Å; F369-V372 PolarHBondContact O-N 3.33Å; F369-K373 WeakPolarHBondContact O-CB 3.43Å; F369-K373 PolarHBondContact O-N 3.45Å
370H76.2Confident73.1Confident91 Ų9157.7 Ų57.742%0.42128%0.284SS..Hα-helixtrans-60.3-48.5172.8-83.3-75.4000111.3R366 F367 V372 K373 D374R366-H370 PolarHBondContact O-CD2 3.25Å; R366-H370 PolarHBondContact O-N 3.39Å; F367-H370 PolarHBondContact O-N 3.02Å; H370-V372 VanDerWaalsContact C-N 3.3Å; H370-V372 PolarHBondContact O-N 3.36Å; H370-K373 WeakPolarHBondContact O-CB 3.18Å; H370-K373 PolarHBondContact O-N 3Å; H370-K373 VanDerWaalsContact O-N 3.13Å; H370-D374 VanDerWaalsContact O-CG 3.27Å; H370-D374 PolarHBondContact O-N 2.85Å
371A74.8Confident72.9Confident26 Ų2659.8 Ų59.822%0.21529%0.293CS..Hα-helixtrans-59.3-39.9176.900000112.9F367 V368 D374 T375F367-A371 PolarHBondContact O-N 2.92Å; V368-A371 PolarHBondContact O-N 2.66Å; A371-D374 PolarHBondContact O-N 3.36Å; A371-T375 WeakPolarHBondContact O-CB 3.44Å; A371-T375 PolarHBondContact O-N 3.48Å; A371-T375 PolarHBondContact O-OG1 3.24Å
372V72.8Confident72.3Confident4 Ų462.4 Ų62.42%0.02430%0.301CS..Hα-helixtrans-64.3-46175164.90000111.3I298 F300 V368 F369 H370 D374 T375 I376I298-V372 HydrophobicContact CD1-CB 4.11Å; I298-V372 HydrophobicContact CD1-CG1 3.59Å; I298-V372 HydrophobicContact CD1-CG2 3.93Å; I298-V372 HydrophobicContact CG2-CG2 4.2Å; F300-V372 HydrophobicContact CE1-CG2 3.91Å; F300-V372 HydrophobicContact CZ-CG2 3.7Å; V368-V372 HydrophobicContact CG1-CG2 4.32Å; V368-V372 WeakPolarHBondContact O-CB 3.44Å; V368-V372 WeakPolarHBondContact O-CG2 3.45Å; V368-V372 PolarHBondContact O-N 2.8Å; F369-V372 PolarHBondContact O-N 3.33Å; H370-V372 VanDerWaalsContact C-N 3.3Å; H370-V372 PolarHBondContact O-N 3.36Å; V372-D374 VanDerWaalsContact C-N 3.3Å; V372-D374 PolarHBondContact O-N 3.05Å; V372-T375 PolarHBondContact O-N 3.46Å; V372-I376 HydrophobicContact CG1-CD1 3.6Å; V372-I376 HydrophobicContact CG1-CG1 4.41Å; V372-I376 WeakPolarHBondContact O-CB 3.42Å; V372-I376 VanDerWaalsContact O-CG1 3.22Å; V372-I376 WeakPolarHBondContact O-CG1 3.36Å; V372-I376 PolarHBondContact O-N 3.22Å
373K72.2Confident71.6Confident103 Ų10365 Ų6545%0.44831%0.313SS..Hα-helixtrans-58.9-45.4177.9-177.5-174.7169.5-1730110.2F369 H370 I376 L377F369-K373 WeakPolarHBondContact O-CB 3.43Å; F369-K373 PolarHBondContact O-N 3.45Å; H370-K373 WeakPolarHBondContact O-CB 3.18Å; H370-K373 PolarHBondContact O-N 3Å; H370-K373 VanDerWaalsContact O-N 3.13Å; K373-I376 PolarHBondContact O-N 2.96Å; K373-L377 HydrophobicContact CD-CD1 4.43Å; K373-L377 HydrophobicContact CG-CD1 3.82Å; K373-L377 HydrophobicContact CG-CG 4.35Å; K373-L377 WeakPolarHBondContact O-CB 3.28Å; K373-L377 WeakPolarHBondContact O-CG 3.49Å; K373-L377 PolarHBondContact O-N 3.36Å
374D74.3Confident70.5Confident81 Ų8164.8 Ų64.843%0.43332%0.315SS..Hα-helixtrans-65.7-42.9-179.7-63.9-18.5000111.6H370 A371 V372 I376 L377 Q378H370-D374 VanDerWaalsContact O-CG 3.27Å; H370-D374 PolarHBondContact O-N 2.85Å; A371-D374 PolarHBondContact O-N 3.36Å; V372-D374 VanDerWaalsContact C-N 3.3Å; V372-D374 PolarHBondContact O-N 3.05Å; D374-I376 PolarHBondContact O-N 3.43Å; D374-L377 PolarHBondContact O-N 3.26Å; D374-Q378 WeakPolarHBondContact O-CB 3.33Å; D374-Q378 VanDerWaalsContact O-CG 3.24Å; D374-Q378 WeakPolarHBondContact O-CG 3.35Å; D374-Q378 PolarHBondContact O-N 3.34Å
375T72.3Confident68.9Low19 Ų1970.5 Ų70.512%0.11734%0.342CS..Hα-helixtrans-59.4-47175.8-55.70000111.4F353 A371 V372 Q378 E379F353-T375 HydrophobicContact CD1-CG2 3.76Å; F353-T375 HydrophobicContact CD2-CG2 3.88Å; F353-T375 HydrophobicContact CE1-CG2 3.59Å; F353-T375 HydrophobicContact CE2-CG2 3.7Å; F353-T375 HydrophobicContact CG-CG2 3.9Å; F353-T375 HydrophobicContact CZ-CG2 3.55Å; A371-T375 WeakPolarHBondContact O-CB 3.44Å; A371-T375 PolarHBondContact O-N 3.48Å; A371-T375 PolarHBondContact O-OG1 3.24Å; V372-T375 PolarHBondContact O-N 3.46Å; T375-Q378 PolarHBondContact O-N 2.68Å; T375-E379 PolarHBondContact O-N 3.21Å; T375-E379 VanDerWaalsContact O-N 3.1Å
376I69.4Low67.4Low5 Ų577.6 Ų77.63%0.02638%0.379CS..Hα-helixtrans-68.4-39.6-179.5-65.4169.5000111V61 I63 T247 I298 V372 K373 D374 N380V61-I376 HydrophobicContact CG1-CG2 3.8Å; I63-I376 HydrophobicContact CD1-CD1 4.45Å; T247-I376 HydrophobicContact CG2-CD1 3.79Å; T247-I376 HydrophobicContact CG2-CG1 3.9Å; T247-I376 HydrophobicContact CG2-CG2 4.33Å; I298-I376 HydrophobicContact CD1-CD1 4.24Å; I298-I376 HydrophobicContact CD1-CG1 4.22Å; V372-I376 HydrophobicContact CG1-CD1 3.6Å; V372-I376 HydrophobicContact CG1-CG1 4.41Å; V372-I376 WeakPolarHBondContact O-CB 3.42Å; V372-I376 VanDerWaalsContact O-CG1 3.22Å; V372-I376 WeakPolarHBondContact O-CG1 3.36Å; V372-I376 PolarHBondContact O-N 3.22Å; K373-I376 PolarHBondContact O-N 2.96Å; D374-I376 PolarHBondContact O-N 3.43Å; I376-N380 VanDerWaalsContact CG2-ND2 3.33Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.45Å; I376-N380 WeakPolarHBondContact O-CB 3.24Å; I376-N380 PolarHBondContact O-N 3.48Å; I376-N380 PolarHBondContact O-ND2 3.28Å
377L68.4Low65.5Low74 Ų7484 Ų8439%0.38741%0.413SS..Hα-helixtrans-64.8-43.1176.2-75172.5000111.3K373 D374 E379 N380 L381K373-L377 HydrophobicContact CD-CD1 4.43Å; K373-L377 HydrophobicContact CG-CD1 3.82Å; K373-L377 HydrophobicContact CG-CG 4.35Å; K373-L377 WeakPolarHBondContact O-CB 3.28Å; K373-L377 WeakPolarHBondContact O-CG 3.49Å; K373-L377 PolarHBondContact O-N 3.36Å; D374-L377 PolarHBondContact O-N 3.26Å; L377-E379 PolarHBondContact O-N 2.94Å; L377-N380 PolarHBondContact O-N 3.28Å; L377-L381 VanDerWaalsContact O-CB 3.27Å; L377-L381 WeakPolarHBondContact O-CB 3.18Å; L377-L381 WeakPolarHBondContact O-CG 3.11Å; L377-L381 PolarHBondContact O-N 2.71Å
378Q69.4Low64.8Low122 Ų12280.8 Ų80.857%0.5740%0.401SS*.Hα-helixtrans-62.3-42.1177.6-75.6176.71.800112.4D374 T375 K382D374-Q378 WeakPolarHBondContact O-CB 3.33Å; D374-Q378 VanDerWaalsContact O-CG 3.24Å; D374-Q378 WeakPolarHBondContact O-CG 3.35Å; D374-Q378 PolarHBondContact O-N 3.34Å; T375-Q378 PolarHBondContact O-N 2.68Å; Q378-K382 WeakPolarHBondContact O-CG 3.43Å; Q378-K382 PolarHBondContact O-N 3.3Å
379E67.3Low64.2Low53 Ų5384.8 Ų84.825%0.24842%0.421CS..Hα-helixtrans-68-43.4176.3-73.1-170.9161.600112.1S296 T375 L377 L381 K382 D383S296-E379 WeakPolarHBondContact CB-OE2 3.38Å; S296-E379 PolarHBondContact OG-OE2 2.92Å; T375-E379 PolarHBondContact O-N 3.21Å; T375-E379 VanDerWaalsContact O-N 3.1Å; L377-E379 PolarHBondContact O-N 2.94Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.46Å; E379-K382 PolarHBondContact O-N 3.24Å; E379-D383 PolarHBondContact O-N 2.87Å
380N64Low63.6Low54 Ų5488.6 Ų88.629%0.28944%0.44SS..Hα-helixtrans-64.7-36.3175.7-74.7-44.7000112.4I376 L377 D383 I384I376-N380 VanDerWaalsContact CG2-ND2 3.33Å; I376-N380 WeakPolarHBondContact CG2-ND2 3.45Å; I376-N380 WeakPolarHBondContact O-CB 3.24Å; I376-N380 PolarHBondContact O-N 3.48Å; I376-N380 PolarHBondContact O-ND2 3.28Å; L377-N380 PolarHBondContact O-N 3.28Å; N380-D383 PolarHBondContact O-N 3.18Å; N380-I384 WeakPolarHBondContact O-CD1 3.23Å; N380-I384 WeakPolarHBondContact O-CG1 3.28Å; N380-I384 PolarHBondContact O-N 2.91Å
381L61.8Low62.9Low90 Ų9088.4 Ų88.447%0.47144%0.441SS..Hα-helixtrans-66.3-39.2176-77.6169000111.5L377 E379 D383 I384 M385L377-L381 VanDerWaalsContact O-CB 3.27Å; L377-L381 WeakPolarHBondContact O-CB 3.18Å; L377-L381 WeakPolarHBondContact O-CG 3.11Å; L377-L381 PolarHBondContact O-N 2.71Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 3.46Å; L381-D383 VanDerWaalsContact C-N 3.34Å; L381-I384 PolarHBondContact O-N 3.35Å; L381-M385 WeakPolarHBondContact O-CB 3.47Å; L381-M385 VanDerWaalsContact O-CG 3.32Å; L381-M385 WeakPolarHBondContact O-CG 3.28Å; L381-M385 PolarHBondContact O-N 3.4Å
382K60.9Low62.1Low131 Ų13192.3 Ų92.357%0.5746%0.455SS*.Hα-helixtrans-60.7-44.8172.5-74.4174.9-178.1-179.90111.2Q378 E379 I384 M385 L386Q378-K382 WeakPolarHBondContact O-CG 3.43Å; Q378-K382 PolarHBondContact O-N 3.3Å; E379-K382 PolarHBondContact O-N 3.24Å; K382-I384 VanDerWaalsContact C-N 3.3Å; K382-I384 PolarHBondContact O-N 3.24Å; K382-M385 PolarHBondContact O-N 3.4Å; K382-L386 VanDerWaalsContact O-CB 3.29Å; K382-L386 WeakPolarHBondContact O-CB 3.44Å; K382-L386 WeakPolarHBondContact O-CD1 3.25Å; K382-L386 WeakPolarHBondContact O-CG 3.47Å; K382-L386 PolarHBondContact O-N 3.01Å
383D60.2Low61.4Low100 Ų10098.2 Ų98.254%0.53548%0.484SS..Hα-helixtrans-64.6-33.2177.2-77.6-4.7000112.7E379 N380 L381 Q387E379-D383 PolarHBondContact O-N 2.87Å; N380-D383 PolarHBondContact O-N 3.18Å; L381-D383 VanDerWaalsContact C-N 3.34Å; D383-Q387 WeakPolarHBondContact O-CG 3.43Å; D383-Q387 PolarHBondContact O-N 2.95Å
384I54.2Low60.7Low110 Ų11097.9 Ų97.956%0.56449%0.487SS*.Hα-helixtrans-77.3-35.7176.7-67.8163.4000111.9N380 L381 K382 L386N380-I384 WeakPolarHBondContact O-CD1 3.23Å; N380-I384 WeakPolarHBondContact O-CG1 3.28Å; N380-I384 PolarHBondContact O-N 2.91Å; L381-I384 PolarHBondContact O-N 3.35Å; K382-I384 VanDerWaalsContact C-N 3.3Å; K382-I384 PolarHBondContact O-N 3.24Å; I384-L386 VanDerWaalsContact C-N 3.29Å
385M44Very low59.6Low160 Ų16099.2 Ų99.279%0.78849%0.491SS*.Hα-helixtrans-76-18.1177.1-73.8-177.9168.200112.9L381 K382L381-M385 WeakPolarHBondContact O-CB 3.47Å; L381-M385 VanDerWaalsContact O-CG 3.32Å; L381-M385 WeakPolarHBondContact O-CG 3.28Å; L381-M385 PolarHBondContact O-N 3.4Å; K382-M385 PolarHBondContact O-N 3.4Å
386L45.6Very low58.6Low149 Ų149105.8 Ų105.878%0.7852%0.522SS*.THydrogen-bonded Turntrans-95.5-1.6176.4-71166.5000113.4K382 I384K382-L386 VanDerWaalsContact O-CB 3.29Å; K382-L386 WeakPolarHBondContact O-CB 3.44Å; K382-L386 WeakPolarHBondContact O-CD1 3.25Å; K382-L386 WeakPolarHBondContact O-CG 3.47Å; K382-L386 PolarHBondContact O-N 3.01Å; I384-L386 VanDerWaalsContact C-N 3.29Å
387Q37.4Very low57.6Low222 Ų222115 Ų115100%1.03757%0.567SS**  trans-103.50169.9-79.3-174.9-9.400110.2D383D383-Q387 WeakPolarHBondContact O-CG 3.43Å; D383-Q387 PolarHBondContact O-N 2.95Å

Retrieved 387 of 387 residues in 813.4 ms (Link to these results)