A0A060WBA5_ONCMY Loading...

Ribosomal protein L7-like 1

AlphaFold DB , UniProt , Accession A0A060WBA5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rpl7l1, Length 249 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
1M38.2Very low51Low246 Ų246173.8 Ų173.8100%1.21288%0.883SS**  01150-74.1168.98200106.6
2A39Very low52.2Low101 Ų101171.5 Ų171.584%0.83587%0.872SS**  trans-97.7116.6178.100000107.9
3E42.5Very low53.5Low193 Ų193172.2 Ų172.290%0.90287%0.866SS**  trans-79122.5171-72.8178.2152.600108.7
4Q44.8Very low55.1Low192 Ų192172.2 Ų172.290%0.89787%0.868SS**  trans-88.5109.3172.6-74.2179.5-31.300108.9S6Q4-S6 PolarHBondContact O-N 3.45Å
5E49.5Very low56.8Low190 Ų190164.8 Ų164.889%0.88884%0.835SS**  trans-73.1117.4162.3-74-175.9150.100109.1E7E5-E7 PolarHBondContact O-N 3.03Å
6S51.5Low58.7Low113 Ų113160 Ų16079%0.7982%0.818SS**  trans-75.9108.2176.758.50000110.9Q4 V8Q4-S6 PolarHBondContact O-N 3.45Å; S6-V8 PolarHBondContact O-N 3.29Å
7E57.3Low60.2Low185 Ų185157.9 Ų157.986%0.86480%0.804SS**  trans-63.1118.3173.2-70.8-17315100111.8E5 K9E5-E7 PolarHBondContact O-N 3.03Å; E7-K9 PolarHBondContact O-N 3.29Å
8V56.8Low61.7Low133 Ų133155.7 Ų155.781%0.80680%0.795SS**  trans-68.4101.3171.9-178.30000109.3S6 R10S6-V8 PolarHBondContact O-N 3.29Å; V8-R10 PolarHBondContact O-N 3.17Å
9K60.1Low63Low195 Ų195151.3 Ų151.385%0.84877%0.773SS**  trans-58.8106.2172.9-84.3179.3176.9173.50110.5E7 V11E7-K9 PolarHBondContact O-N 3.29Å; K9-V11 PolarHBondContact O-N 3Å; K9-V11 VanDerWaalsContact O-N 3.17Å
10R59.3Low64.1Low232 Ų232148.3 Ų148.388%0.87576%0.758SS**  trans-66.2110.9173.5-66.1-178.7-172.9-179.72.8109.6V8 I12V8-R10 PolarHBondContact O-N 3.17Å; R10-I12 PolarHBondContact O-N 3.2Å; R10-I12 VanDerWaalsContact O-N 3.08Å
11V62Low65.2Low132 Ų132146.7 Ų146.780%0.875%0.746SS**  trans-68.2104.7173.8-179.10000109.2K9 K13K9-V11 PolarHBondContact O-N 3Å; K9-V11 VanDerWaalsContact O-N 3.17Å; V11-K13 PolarHBondContact O-N 3.08Å
12I65.2Low67.7Low146 Ų146142.4 Ų142.475%0.74972%0.72SS**  trans-75.5105.3173.4-55.6172.9000107.2R10 L14R10-I12 PolarHBondContact O-N 3.2Å; R10-I12 VanDerWaalsContact O-N 3.08Å; I12-L14 PolarHBondContact O-N 3.14Å; I12-L14 VanDerWaalsContact O-N 3.14Å
13K69.9Low70.1Confident181 Ų181144 Ų14479%0.78771%0.705SS**  trans-61.8115.9172.8-70.4-178178.8-179.40108.8V11 V15V11-K13 PolarHBondContact O-N 3.08Å; K13-V15 PolarHBondContact O-N 3.12Å; K13-V15 VanDerWaalsContact O-N 3.12Å
14L75.8Confident72.5Confident172 Ų172142.6 Ų142.690%0.90170%0.696SS**  trans-64.7111.9174.5-96.484000109.2I12I12-L14 PolarHBondContact O-N 3.14Å; I12-L14 VanDerWaalsContact O-N 3.14Å
15V80.6Confident74.7Confident61 Ų61135.9 Ų135.937%0.3767%0.673SS.*  trans-95.1131.4175.5-179.20000108.6K13 E17 L19 L20K13-V15 PolarHBondContact O-N 3.12Å; K13-V15 VanDerWaalsContact O-N 3.12Å; V15-E17 PolarHBondContact O-N 3.36Å; V15-L19 HydrophobicContact CG1-CB 4.17Å; V15-L19 HydrophobicContact CG1-CD2 3.82Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L20 HydrophobicContact CB-CD2 4.34Å; V15-L20 HydrophobicContact CB-CG 4.37Å; V15-L20 HydrophobicContact CG1-CD2 3.96Å; V15-L20 HydrophobicContact CG1-CG 3.97Å
16P87.3Confident76.8Confident88 Ų88134 Ų13457%0.57166%0.659SS**  trans-56.4134.6176.7-25.533.6000112.2N18 L19 L20P16-N18 PolarHBondContact O-N 2.94Å; P16-L19 WeakPolarHBondContact O-CB 3.48Å; P16-L19 PolarHBondContact O-N 3.18Å; P16-L20 PolarHBondContact O-N 3.41Å
17E84.1Confident78.8Confident124 Ų124134.9 Ų134.958%0.57965%0.651SS**Hα-helixtrans-57.3-36.8-175.6-163-168.9158.800112.5V15 L19 L20 K21V15-E17 PolarHBondContact O-N 3.36Å; E17-L19 VanDerWaalsContact C-N 3.26Å; E17-L19 PolarHBondContact O-N 2.96Å; E17-L20 PolarHBondContact O-N 3.31Å; E17-L20 VanDerWaalsContact O-N 3.17Å; E17-K21 WeakPolarHBondContact O-CG 2.96Å; E17-K21 PolarHBondContact O-N 2.67Å; E17-K21 WeakPolarHBondContact OE1-CE 3.37Å; E17-K21 IonicContact OE1-NZ 3.61Å; E17-K21 PolarHBondContact OE1-NZ 3.17Å; E17-K21 IonicContact OE2-NZ 3.56Å
18N86.7Confident80.5Confident118 Ų118128.7 Ų128.763%0.63163%0.631SS**Hα-helixtrans-60.6-34176.6-74.4-26.5000112.8P16 K22P16-N18 PolarHBondContact O-N 2.94Å; N18-K22 WeakPolarHBondContact O-CB 3.3Å; N18-K22 WeakPolarHBondContact O-CG 3.35Å; N18-K22 PolarHBondContact O-N 2.97Å
19L86.8Confident82.3Confident73 Ų73127.2 Ų127.238%0.38262%0.617SS.*Hα-helixtrans-72.8-38.9177.3-167.869.5000111.1V15 P16 E17 K22 R23V15-L19 HydrophobicContact CG1-CB 4.17Å; V15-L19 HydrophobicContact CG1-CD2 3.82Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; P16-L19 WeakPolarHBondContact O-CB 3.48Å; P16-L19 PolarHBondContact O-N 3.18Å; E17-L19 VanDerWaalsContact C-N 3.26Å; E17-L19 PolarHBondContact O-N 2.96Å; L19-K22 PolarHBondContact O-N 3.44Å; L19-R23 VanDerWaalsContact O-CG 3.3Å; L19-R23 WeakPolarHBondContact O-CG 3.47Å; L19-R23 PolarHBondContact O-N 3.06Å
20L84.1Confident83.9Confident90 Ų90124 Ų12447%0.47160%0.603SS.*Hα-helixtrans-65.1-43.2175.6-64.3174.7000111.5V15 P16 E17 R23 K24V15-L20 HydrophobicContact CB-CD2 4.34Å; V15-L20 HydrophobicContact CB-CG 4.37Å; V15-L20 HydrophobicContact CG1-CD2 3.96Å; V15-L20 HydrophobicContact CG1-CG 3.97Å; P16-L20 PolarHBondContact O-N 3.41Å; E17-L20 PolarHBondContact O-N 3.31Å; E17-L20 VanDerWaalsContact O-N 3.17Å; L20-R23 PolarHBondContact O-N 3.32Å; L20-K24 WeakPolarHBondContact O-CB 3.49Å; L20-K24 PolarHBondContact O-N 2.93Å
21K87.8Confident85.5Confident116 Ų116115.1 Ų115.150%0.50458%0.58SS.*Hα-helixtrans-60.2-45.8174.3-73.4176.8-179.4165.50111.8E17 K24 A25E17-K21 WeakPolarHBondContact O-CG 2.96Å; E17-K21 PolarHBondContact O-N 2.67Å; E17-K21 WeakPolarHBondContact OE1-CE 3.37Å; E17-K21 IonicContact OE1-NZ 3.61Å; E17-K21 PolarHBondContact OE1-NZ 3.17Å; E17-K21 IonicContact OE2-NZ 3.56Å; K21-K24 PolarHBondContact O-N 3Å; K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 3.37Å
22K90.4Very high87.1Confident156 Ų156113.1 Ų113.168%0.67857%0.568SS**Hα-helixtrans-61.1-43.6175.5-77.7-178.1178.9-176.10112.5N18 L19 A25 Y26N18-K22 WeakPolarHBondContact O-CB 3.3Å; N18-K22 WeakPolarHBondContact O-CG 3.35Å; N18-K22 PolarHBondContact O-N 2.97Å; L19-K22 PolarHBondContact O-N 3.44Å; K22-A25 PolarHBondContact O-N 3.41Å; K22-Y26 WeakPolarHBondContact O-CB 3.3Å; K22-Y26 PolarHBondContact O-N 2.94Å
23R90.6Very high88.5Confident134 Ų134112.4 Ų112.451%0.50656%0.562SS.*Hα-helixtrans-62.4-43.7177.1-74.8173.4179.31790.5112L19 L20 Y26 Q27L19-R23 VanDerWaalsContact O-CG 3.3Å; L19-R23 WeakPolarHBondContact O-CG 3.47Å; L19-R23 PolarHBondContact O-N 3.06Å; L20-R23 PolarHBondContact O-N 3.32Å; R23-Y26 PolarHBondContact O-N 2.95Å; R23-Q27 WeakPolarHBondContact O-CB 3.45Å; R23-Q27 VanDerWaalsContact O-CG 3.3Å; R23-Q27 WeakPolarHBondContact O-CG 3.39Å; R23-Q27 PolarHBondContact O-N 3.42Å
24K92Very high89.6Confident163 Ų163106.6 Ų106.671%0.70955%0.547SS*.Hα-helixtrans-63.8-43.6178.1-168.6176.7-178179.20111.8L20 K21 Q27 A28L20-K24 WeakPolarHBondContact O-CB 3.49Å; L20-K24 PolarHBondContact O-N 2.93Å; K21-K24 PolarHBondContact O-N 3Å; K24-Q27 PolarHBondContact O-N 3.02Å; K24-A28 WeakPolarHBondContact O-CB 3.49Å; K24-A28 PolarHBondContact O-N 3.48Å
25A91.2Very high90.4Very high51 Ų51105.5 Ų105.542%0.42154%0.535SS..Hα-helixtrans-62.8-45.9175.900000111.8K21 K22 Q27 A28 I29K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 3.37Å; K22-A25 PolarHBondContact O-N 3.41Å; A25-Q27 PolarHBondContact O-N 2.93Å; A25-A28 PolarHBondContact O-N 2.98Å; A25-I29 WeakPolarHBondContact O-CG1 3.32Å; A25-I29 PolarHBondContact O-N 3.23Å
26Y93Very high90.9Very high152 Ų152111.5 Ų111.560%0.59655%0.551SS**Hα-helixtrans-62.7-42.5178.1-175.6-100.7000112.5K22 R23 A28 I29 K30K22-Y26 WeakPolarHBondContact O-CB 3.3Å; K22-Y26 PolarHBondContact O-N 2.94Å; R23-Y26 PolarHBondContact O-N 2.95Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-A28 PolarHBondContact O-N 2.92Å; Y26-I29 PolarHBondContact O-N 3.37Å; Y26-K30 HydrophobicContact CE1-CD 4.27Å; Y26-K30 WeakPolarHBondContact O-CB 3.38Å; Y26-K30 PolarHBondContact O-N 3.47Å
27Q93Very high91.1Very high131 Ų131109.7 Ų109.761%0.61254%0.544SS*.Hα-helixtrans-62.4-39.8174.7-74.7175.7-2.900112.2R23 K24 A25 K30 A31R23-Q27 WeakPolarHBondContact O-CB 3.45Å; R23-Q27 VanDerWaalsContact O-CG 3.3Å; R23-Q27 WeakPolarHBondContact O-CG 3.39Å; R23-Q27 PolarHBondContact O-N 3.42Å; K24-Q27 PolarHBondContact O-N 3.02Å; A25-Q27 PolarHBondContact O-N 2.93Å; Q27-K30 PolarHBondContact O-N 3.47Å; Q27-A31 VanDerWaalsContact O-CB 3.3Å; Q27-A31 WeakPolarHBondContact O-CB 3.25Å; Q27-A31 PolarHBondContact O-N 3.48Å
28A93.6Very high91.3Very high55 Ų55108.6 Ų108.646%0.45554%0.541SS..Hα-helixtrans-64.2-44.9176.300000111.9K24 A25 Y26 A31 T32K24-A28 WeakPolarHBondContact O-CB 3.49Å; K24-A28 PolarHBondContact O-N 3.48Å; A25-A28 PolarHBondContact O-N 2.98Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-A28 PolarHBondContact O-N 2.92Å; A28-A31 PolarHBondContact O-N 3.26Å; A28-T32 WeakPolarHBondContact O-CG2 3.37Å; A28-T32 PolarHBondContact O-N 2.97Å; A28-T32 PolarHBondContact O-OG1 3.32Å
29I93.9Very high91.3Very high101 Ų101107.8 Ų107.852%0.51854%0.537SS..Hα-helixtrans-61.9-46.1176.5-66.2165000110.6A25 Y26 A31 T32 E33A25-I29 WeakPolarHBondContact O-CG1 3.32Å; A25-I29 PolarHBondContact O-N 3.23Å; Y26-I29 PolarHBondContact O-N 3.37Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.28Å; I29-T32 PolarHBondContact O-N 3.37Å; I29-T32 PolarHBondContact O-OG1 2.85Å; I29-E33 WeakPolarHBondContact O-CB 3.3Å; I29-E33 PolarHBondContact O-N 2.97Å
30K95Very high91.3Very high127 Ų127108.5 Ų108.555%0.55254%0.538SS*.Hα-helixtrans-63.5-37.4178.5-168.7169.6-178.4172.70112.1Y26 Q27 A34Y26-K30 HydrophobicContact CE1-CD 4.27Å; Y26-K30 WeakPolarHBondContact O-CB 3.38Å; Y26-K30 PolarHBondContact O-N 3.47Å; Q27-K30 PolarHBondContact O-N 3.47Å; K30-A34 VanDerWaalsContact O-CB 3.25Å; K30-A34 WeakPolarHBondContact O-CB 3.34Å; K30-A34 PolarHBondContact O-N 2.93Å
31A93.1Very high91.2Very high47 Ų47112 Ų11239%0.38855%0.549SS..Hα-helixtrans-69.6-39176.600000112.7Q27 A28 I29 K35Q27-A31 VanDerWaalsContact O-CB 3.3Å; Q27-A31 WeakPolarHBondContact O-CB 3.25Å; Q27-A31 PolarHBondContact O-N 3.48Å; A28-A31 PolarHBondContact O-N 3.26Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.28Å; A31-K35 WeakPolarHBondContact O-CB 3.44Å; A31-K35 VanDerWaalsContact O-CG 3.29Å; A31-K35 WeakPolarHBondContact O-CG 3.29Å; A31-K35 PolarHBondContact O-N 3Å
32T94.3Very high90.8Very high89 Ų89113.6 Ų113.655%0.54655%0.552SS.*Hα-helixtrans-69.5-40.2176.454.90000111.4A28 I29 K35 R36A28-T32 WeakPolarHBondContact O-CG2 3.37Å; A28-T32 PolarHBondContact O-N 2.97Å; A28-T32 PolarHBondContact O-OG1 3.32Å; I29-T32 PolarHBondContact O-N 3.37Å; I29-T32 PolarHBondContact O-OG1 2.85Å; T32-K35 PolarHBondContact O-N 3.45Å; T32-R36 WeakPolarHBondContact O-CB 3.44Å; T32-R36 PolarHBondContact O-N 2.94Å
33E95.2Very high90Very high132 Ų132112.9 Ų112.962%0.61755%0.549SS*.Hα-helixtrans-64.1-45.4175.2-169.6174.3-164.900111.6I29 K35 R36 A37I29-E33 WeakPolarHBondContact O-CB 3.3Å; I29-E33 PolarHBondContact O-N 2.97Å; E33-K35 PolarHBondContact O-N 2.84Å; E33-R36 PolarHBondContact O-N 3.4Å; E33-R36 VanDerWaalsContact O-N 3.16Å; E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 2.89Å
34A92.8Very high88.9Confident59 Ų59111.8 Ų111.849%0.48856%0.557SS.*Hα-helixtrans-60.5-42.4174.400000112.2K30 A37 L38K30-A34 VanDerWaalsContact O-CB 3.25Å; K30-A34 WeakPolarHBondContact O-CB 3.34Å; K30-A34 PolarHBondContact O-N 2.93Å; A34-A37 PolarHBondContact O-N 3.37Å; A34-L38 WeakPolarHBondContact O-CB 3.43Å; A34-L38 PolarHBondContact O-N 2.88Å
35K93.3Very high87.5Confident148 Ų148108.7 Ų108.764%0.64356%0.556SS**Hα-helixtrans-61.5-43.3173.8-77.9176.3-178.71800111.6A31 T32 E33 L38 L39A31-K35 WeakPolarHBondContact O-CB 3.44Å; A31-K35 VanDerWaalsContact O-CG 3.29Å; A31-K35 WeakPolarHBondContact O-CG 3.29Å; A31-K35 PolarHBondContact O-N 3Å; T32-K35 PolarHBondContact O-N 3.45Å; E33-K35 PolarHBondContact O-N 2.84Å; K35-L38 PolarHBondContact O-N 3.44Å; K35-L39 WeakPolarHBondContact O-CG 3.36Å; K35-L39 PolarHBondContact O-N 3.42Å
36R91.5Very high86Confident187 Ų187113.9 Ų113.971%0.70657%0.569SS**Hα-helixtrans-64-46.3177.9-170.8177.7-178.8173.6-0.2111.2T32 E33 L38 L39 E40T32-R36 WeakPolarHBondContact O-CB 3.44Å; T32-R36 PolarHBondContact O-N 2.94Å; E33-R36 PolarHBondContact O-N 3.4Å; E33-R36 VanDerWaalsContact O-N 3.16Å; R36-L38 VanDerWaalsContact C-N 3.31Å; R36-L38 PolarHBondContact O-N 2.89Å; R36-L39 PolarHBondContact O-N 3.35Å; R36-E40 VanDerWaalsContact O-CG 3.31Å; R36-E40 WeakPolarHBondContact O-CG 3.31Å; R36-E40 PolarHBondContact O-N 3.16Å
37A90.7Very high84.5Confident51 Ų51109 Ų10942%0.42157%0.565SS.*Hα-helixtrans-60.8-38.5176.300000112.3E33 A34 E40 K41E33-A37 WeakPolarHBondContact O-CB 3.33Å; E33-A37 PolarHBondContact O-N 2.89Å; A34-A37 PolarHBondContact O-N 3.37Å; A37-E40 PolarHBondContact O-N 2.99Å; A37-K41 WeakPolarHBondContact O-CB 3.42Å; A37-K41 WeakPolarHBondContact O-CG 3.39Å; A37-K41 PolarHBondContact O-N 2.74Å
38L88.9Confident82.9Confident100 Ų100112 Ų11252%0.52458%0.576SS.*Hα-helixtrans-69.7-37.8177.2-155.9152.9000111.8A34 K35 R36 R42A34-L38 WeakPolarHBondContact O-CB 3.43Å; A34-L38 PolarHBondContact O-N 2.88Å; K35-L38 PolarHBondContact O-N 3.44Å; R36-L38 VanDerWaalsContact C-N 3.31Å; R36-L38 PolarHBondContact O-N 2.89Å; L38-R42 HydrophobicContact CD2-CG 4.3Å; L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 WeakPolarHBondContact O-CG 3.33Å; L38-R42 PolarHBondContact O-N 3.01Å
39L86.4Confident81.5Confident101 Ų101114.9 Ų114.953%0.52959%0.59SS.*Hα-helixtrans-64.9-44.1172.3-72.6171.6000111.9K35 R36 R42 K43K35-L39 WeakPolarHBondContact O-CG 3.36Å; K35-L39 PolarHBondContact O-N 3.42Å; R36-L39 PolarHBondContact O-N 3.35Å; L39-R42 WeakPolarHBondContact O-CB 3.25Å; L39-R42 PolarHBondContact O-N 3.29Å; L39-K43 WeakPolarHBondContact O-CG 3.45Å; L39-K43 PolarHBondContact O-N 3.23Å
40E85.6Confident80Confident89 Ų89118.3 Ų118.342%0.41661%0.609SS.*Hα-helixtrans-60.3-49174.6-72.1-76118.900110.9R36 A37 R42 K43 V44R36-E40 VanDerWaalsContact O-CG 3.31Å; R36-E40 WeakPolarHBondContact O-CG 3.31Å; R36-E40 PolarHBondContact O-N 3.16Å; A37-E40 PolarHBondContact O-N 2.99Å; E40-R42 VanDerWaalsContact C-N 3.28Å; E40-R42 PolarHBondContact O-N 3.22Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 2.92Å; E40-K43 IonicContact OE1-NZ 2.66Å; E40-K43 PolarHBondContact OE1-NZ 2.83Å; E40-V44 WeakPolarHBondContact O-CG2 3.27Å; E40-V44 PolarHBondContact O-N 2.94Å
41K82.9Confident78.6Confident162 Ų162121.4 Ų121.470%0.70462%0.622SS**Hα-helixtrans-58.7-36.6173.4-77.9-173.2176.8-174.50112.7A37 V44 S45A37-K41 WeakPolarHBondContact O-CB 3.42Å; A37-K41 WeakPolarHBondContact O-CG 3.39Å; A37-K41 PolarHBondContact O-N 2.74Å; K41-V44 PolarHBondContact O-N 3.47Å; K41-S45 VanDerWaalsContact O-CB 3.25Å; K41-S45 WeakPolarHBondContact O-CB 3.48Å; K41-S45 PolarHBondContact O-N 3.3Å; K41-S45 PolarHBondContact O-OG 2.96Å
42R78.7Confident77.7Confident151 Ų151127.7 Ų127.757%0.5764%0.641SS**Hα-helixtrans-68.8-31.2174-84.8-179.2160.7-174.2-3.4113.2L38 L39 E40 K46L38-R42 HydrophobicContact CD2-CG 4.3Å; L38-R42 WeakPolarHBondContact O-CB 3.37Å; L38-R42 WeakPolarHBondContact O-CG 3.33Å; L38-R42 PolarHBondContact O-N 3.01Å; L39-R42 WeakPolarHBondContact O-CB 3.25Å; L39-R42 PolarHBondContact O-N 3.29Å; E40-R42 VanDerWaalsContact C-N 3.28Å; E40-R42 PolarHBondContact O-N 3.22Å; R42-K46 WeakPolarHBondContact O-CB 3.42Å; R42-K46 VanDerWaalsContact O-CG 3.27Å; R42-K46 WeakPolarHBondContact O-CG 3.41Å; R42-K46 PolarHBondContact O-N 3.11Å
43K74Confident76.9Confident140 Ų140127.8 Ų127.861%0.60963%0.634SS**Hα-helixtrans-70.8-42.4173.1-67.8172.1-167.7170.10111L39 E40L39-K43 WeakPolarHBondContact O-CG 3.45Å; L39-K43 PolarHBondContact O-N 3.23Å; E40-K43 WeakPolarHBondContact O-CB 3.45Å; E40-K43 PolarHBondContact O-N 2.92Å; E40-K43 IonicContact OE1-NZ 2.66Å; E40-K43 PolarHBondContact OE1-NZ 2.83Å
44V67.9Low76.4Confident112 Ų112129.5 Ų129.568%0.67964%0.635SS**Hα-helixtrans-75.8-44.8-177.5177.70000112.4E40 K41 K46 G47E40-V44 WeakPolarHBondContact O-CG2 3.27Å; E40-V44 PolarHBondContact O-N 2.94Å; K41-V44 PolarHBondContact O-N 3.47Å; V44-K46 PolarHBondContact O-N 2.82Å; V44-G47 PolarHBondContact O-N 3.43Å
45S61.8Low76.2Confident98 Ų98132.7 Ų132.769%0.68564%0.643SS**Hα-helixtrans-65.6-26.5176.958.60000113.1K41 G47K41-S45 VanDerWaalsContact O-CB 3.25Å; K41-S45 WeakPolarHBondContact O-CB 3.48Å; K41-S45 PolarHBondContact O-N 3.3Å; K41-S45 PolarHBondContact O-OG 2.96Å; S45-G47 PolarHBondContact O-N 3.08Å
46K60.2Low76Confident159 Ų159130.7 Ų130.769%0.69164%0.636SS**THydrogen-bonded Turntrans-8834.8168.1-64.7-177179.4-174.80111.9R42 V44 K48R42-K46 WeakPolarHBondContact O-CB 3.42Å; R42-K46 VanDerWaalsContact O-CG 3.27Å; R42-K46 WeakPolarHBondContact O-CG 3.41Å; R42-K46 PolarHBondContact O-N 3.11Å; V44-K46 PolarHBondContact O-N 2.82Å; K46-K48 PolarHBondContact O-N 3.48Å
47G61.7Low75.7Confident50 Ų50125.1 Ų125.152%0.51562%0.62SS.*  trans-42.8121.616100000107.5V44 S45 P49V44-G47 PolarHBondContact O-N 3.43Å; S45-G47 PolarHBondContact O-N 3.08Å; G47-P49 VanDerWaalsContact O-CD 3.27Å; G47-P49 WeakPolarHBondContact O-CD 3.36Å
48K60.3Low75.5Confident195 Ų195127.9 Ų127.985%0.84862%0.623SS**  trans-55.3117.1-175.9-74.7172.5-177.3168.30105.6K46 L50K46-K48 PolarHBondContact O-N 3.48Å; K48-L50 PolarHBondContact O-N 2.73Å
49P64.4Low75.6Confident115 Ų115127.5 Ų127.575%0.74762%0.621SS**  trans-53.9122.5174.221.8-31.3000105.6G47 K51G47-P49 VanDerWaalsContact O-CD 3.27Å; G47-P49 WeakPolarHBondContact O-CD 3.36Å; P49-K51 VanDerWaalsContact C-N 3.31Å; P49-K51 PolarHBondContact O-N 3.01Å
50L61.2Low75.7Confident172 Ų172127.4 Ų127.490%0.90162%0.616SS**  trans-52.2108.2171.9-78.1163.2000104.7K48 F52K48-L50 PolarHBondContact O-N 2.73Å; L50-F52 PolarHBondContact O-N 2.66Å
51K66Low75.9Confident193 Ų193125 Ų12584%0.83961%0.606SS**  trans-76.277.8-174.5-171.6178.5-179.1176.80106.4P49 K53P49-K51 VanDerWaalsContact C-N 3.31Å; P49-K51 PolarHBondContact O-N 3.01Å; K51-K53 PolarHBondContact O-N 2.81Å
52F73.8Confident76.2Confident179 Ų179120.7 Ų120.779%0.78560%0.596SS**  trans-62.3106.9173.3-171-99.8000106.6L50 R54L50-F52 PolarHBondContact O-N 2.66Å; F52-R54 PolarHBondContact O-N 2.93Å
53K78.3Confident76.8Confident90 Ų90118.9 Ų118.939%0.39159%0.594SS.*  trans-68.9126.9168.6-80.3-172.3175.2-164.70106.3K51 F58 D61K51-K53 PolarHBondContact O-N 2.81Å; K53-F58 HydrophobicContact CB-CD2 3.88Å; K53-F58 HydrophobicContact CB-CE1 4.32Å; K53-F58 HydrophobicContact CB-CE2 3.23Å; K53-F58 HydrophobicContact CB-CZ 3.49Å; K53-F58 VanDerWaalsContact CB-CZ 3.49Å; K53-F58 HydrophobicContact CD-CD1 4.41Å; K53-F58 HydrophobicContact CD-CE1 3.82Å; K53-F58 HydrophobicContact CD-CE2 4.24Å; K53-F58 HydrophobicContact CD-CZ 3.74Å; K53-F58 HydrophobicContact CG-CE2 4.38Å; K53-F58 HydrophobicContact CG-CZ 4.23Å; K53-F58 VanDerWaalsContact O-CE2 3.29Å; K53-F58 WeakPolarHBondContact O-CE2 3.21Å; K53-D61 IonicContact NZ-OD2 2.82Å
54R85.2Confident77.5Confident168 Ų168117.4 Ų117.463%0.63459%0.585SS**  trans-64.9148.7174.4-66.1-177.4177.8179.7-1.4109F52 E56 D57 F58F52-R54 PolarHBondContact O-N 2.93Å; R54-E56 PolarHBondContact O-N 3.03Å; R54-D57 WeakPolarHBondContact O-CB 3.45Å; R54-D57 PolarHBondContact O-N 3.48Å; R54-F58 VanDerWaalsContact O-CD2 3.3Å; R54-F58 WeakPolarHBondContact O-CD2 3.4Å; R54-F58 PolarHBondContact O-N 3.39Å
55L87.3Confident78.6Confident126 Ų126116.3 Ų116.366%0.6657%0.571SS**Hα-helixtrans-52.9-38.3174.6-178.160.4000111.5D57 F58 L59L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 2.95Å; L55-F58 WeakPolarHBondContact O-CB 3.19Å; L55-F58 PolarHBondContact O-N 3.15Å; L55-F58 VanDerWaalsContact O-N 3.13Å; L55-L59 HydrophobicContact CG-CD1 4.37Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.39Å
56E89.1Confident80Confident106 Ų106117.4 Ų117.450%0.49557%0.565SS.*Hα-helixtrans-54.8-41.3174-66.3178.7-147.900113.8R54 F58 L59 K60R54-E56 PolarHBondContact O-N 3.03Å; E56-F58 VanDerWaalsContact C-N 3.34Å; E56-L59 PolarHBondContact O-N 2.88Å; E56-K60 WeakPolarHBondContact O-CB 3.38Å; E56-K60 WeakPolarHBondContact O-CD 3.37Å; E56-K60 WeakPolarHBondContact O-CG 3.26Å; E56-K60 PolarHBondContact O-N 3.29Å; E56-K60 IonicContact OE2-NZ 3.61Å; E56-K60 PolarHBondContact OE2-NZ 3.32Å
57D86.2Confident81.5Confident70 Ų70118.4 Ų118.437%0.37456%0.564SS.*Hα-helixtrans-69.7-36.9-179.8-70.5-29.3000110.6R54 L55 K60 D61R54-D57 WeakPolarHBondContact O-CB 3.45Å; R54-D57 PolarHBondContact O-N 3.48Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 2.95Å; D57-K60 PolarHBondContact O-N 3.33Å; D57-D61 WeakPolarHBondContact O-CB 3.47Å; D57-D61 VanDerWaalsContact O-CG 3.31Å; D57-D61 PolarHBondContact O-N 3.23Å
58F86.2Confident82.9Confident109 Ų109116.4 Ų116.448%0.47854%0.542SS..Hα-helixtrans-63.4-44.8173.2-72.4-76.7000111.9K53 R54 L55 E56 D61 S62K53-F58 HydrophobicContact CB-CD2 3.88Å; K53-F58 HydrophobicContact CB-CE1 4.32Å; K53-F58 HydrophobicContact CB-CE2 3.23Å; K53-F58 HydrophobicContact CB-CZ 3.49Å; K53-F58 VanDerWaalsContact CB-CZ 3.49Å; K53-F58 HydrophobicContact CD-CD1 4.41Å; K53-F58 HydrophobicContact CD-CE1 3.82Å; K53-F58 HydrophobicContact CD-CE2 4.24Å; K53-F58 HydrophobicContact CD-CZ 3.74Å; K53-F58 HydrophobicContact CG-CE2 4.38Å; K53-F58 HydrophobicContact CG-CZ 4.23Å; K53-F58 VanDerWaalsContact O-CE2 3.29Å; K53-F58 WeakPolarHBondContact O-CE2 3.21Å; R54-F58 VanDerWaalsContact O-CD2 3.3Å; R54-F58 WeakPolarHBondContact O-CD2 3.4Å; R54-F58 PolarHBondContact O-N 3.39Å; L55-F58 WeakPolarHBondContact O-CB 3.19Å; L55-F58 PolarHBondContact O-N 3.15Å; L55-F58 VanDerWaalsContact O-N 3.13Å; E56-F58 VanDerWaalsContact C-N 3.34Å; F58-D61 PolarHBondContact O-N 2.98Å; F58-S62 WeakPolarHBondContact O-CB 2.9Å; F58-S62 PolarHBondContact O-N 3.24Å
59L90.1Very high84.3Confident93 Ų93111 Ų11149%0.48752%0.519SS..Hα-helixtrans-62.5-45.6175.7-68.1174.1000111L55 E56 D61 S62 H63L55-L59 HydrophobicContact CG-CD1 4.37Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.39Å; E56-L59 PolarHBondContact O-N 2.88Å; L59-D61 PolarHBondContact O-N 3.08Å; L59-S62 PolarHBondContact O-N 2.94Å; L59-H63 WeakPolarHBondContact O-CB 3.3Å; L59-H63 PolarHBondContact O-CD2 3.43Å; L59-H63 PolarHBondContact O-N 3.32Å
60K89.3Confident85.7Confident98 Ų98106.7 Ų106.743%0.42649%0.491SS..Hα-helixtrans-59.2-44.4176-74.5166.1-170.8160.40112.1E56 D57 R64E56-K60 WeakPolarHBondContact O-CB 3.38Å; E56-K60 WeakPolarHBondContact O-CD 3.37Å; E56-K60 WeakPolarHBondContact O-CG 3.26Å; E56-K60 PolarHBondContact O-N 3.29Å; E56-K60 IonicContact OE2-NZ 3.61Å; E56-K60 PolarHBondContact OE2-NZ 3.32Å; D57-K60 PolarHBondContact O-N 3.33Å; K60-R64 WeakPolarHBondContact O-CG 3.27Å; K60-R64 PolarHBondContact O-N 3.04Å; K60-R64 VanDerWaalsContact O-N 3.07Å
61D88.9Confident87.1Confident40 Ų40101.6 Ų101.621%0.21446%0.46CS..Hα-helixtrans-65.5-42.6177.3-77.9-9.8000110.9K53 D57 F58 L59 R64 K65 G101K53-D61 IonicContact NZ-OD2 2.82Å; D57-D61 WeakPolarHBondContact O-CB 3.47Å; D57-D61 VanDerWaalsContact O-CG 3.31Å; D57-D61 PolarHBondContact O-N 3.23Å; F58-D61 PolarHBondContact O-N 2.98Å; L59-D61 PolarHBondContact O-N 3.08Å; D61-R64 PolarHBondContact O-N 2.78Å; D61-K65 WeakPolarHBondContact O-CB 3.48Å; D61-K65 PolarHBondContact O-N 3.04Å; D61-G101 VanDerWaalsContact OD1-CA 3.24Å; D61-G101 WeakPolarHBondContact OD1-CA 3.44Å
62S90.2Very high88.3Confident71 Ų7193.5 Ų93.550%0.49743%0.426SS..Hα-helixtrans-61.1-46.9176.7-174.30000111.9F58 L59 R64 K65 H66F58-S62 WeakPolarHBondContact O-CB 2.9Å; F58-S62 PolarHBondContact O-N 3.24Å; L59-S62 PolarHBondContact O-N 2.94Å; S62-R64 PolarHBondContact O-N 2.94Å; S62-K65 WeakPolarHBondContact O-CB 3.41Å; S62-K65 PolarHBondContact O-N 2.91Å; S62-H66 PolarHBondContact O-N 2.81Å
63H91.2Very high89.1Confident112 Ų11293.2 Ų93.252%0.51942%0.419SS..Hα-helixtrans-63.5-40.2178.3-74.4-141.8000111.7L59 H66 R67L59-H63 WeakPolarHBondContact O-CB 3.3Å; L59-H63 PolarHBondContact O-CD2 3.43Å; L59-H63 PolarHBondContact O-N 3.32Å; H63-H66 PolarHBondContact O-N 3.08Å; H63-R67 WeakPolarHBondContact O-CB 3.46Å; H63-R67 VanDerWaalsContact O-CG 3.29Å; H63-R67 WeakPolarHBondContact O-CG 3.42Å; H63-R67 PolarHBondContact O-N 3.39Å
64R88.5Confident89.7Confident109 Ų10996.6 Ų96.641%0.41143%0.43SS..Hα-helixtrans-62.4-46.9174.3-79.6-179.3-137.6-176.4-0.1111.6K60 D61 S62 H66 R67 D68 K100 G101K60-R64 WeakPolarHBondContact O-CG 3.27Å; K60-R64 PolarHBondContact O-N 3.04Å; K60-R64 VanDerWaalsContact O-N 3.07Å; D61-R64 PolarHBondContact O-N 2.78Å; S62-R64 PolarHBondContact O-N 2.94Å; R64-H66 VanDerWaalsContact C-N 3.34Å; R64-H66 PolarHBondContact O-N 3.22Å; R64-R67 PolarHBondContact O-N 2.77Å; R64-D68 PolarHBondContact O-N 2.73Å; R64-K100 PolarHBondContact NH1-O 2.77Å; R64-G101 WeakPolarHBondContact CB-O 3.48Å
65K90.9Very high89.7Confident90 Ų9090 Ų9039%0.39141%0.411SS..Hα-helixtrans-57.4-47.6177.5-179.9178.6174.1-167.60111.2D61 S62 R67 D68 E69D61-K65 WeakPolarHBondContact O-CB 3.48Å; D61-K65 PolarHBondContact O-N 3.04Å; S62-K65 WeakPolarHBondContact O-CB 3.41Å; S62-K65 PolarHBondContact O-N 2.91Å; K65-R67 PolarHBondContact O-N 3.24Å; K65-D68 PolarHBondContact O-N 3.4Å; K65-E69 WeakPolarHBondContact CE-OE1 3.25Å; K65-E69 WeakPolarHBondContact CG-OE1 3.36Å; K65-E69 WeakPolarHBondContact O-CG 3.2Å; K65-E69 PolarHBondContact O-N 2.89Å
66H91.8Very high89.5Confident120 Ų12087.1 Ų87.156%0.55641%0.412SS*.Hα-helixtrans-62.9-41.6178.7-175.272.9000112.9S62 H63 R64 E69 T70S62-H66 PolarHBondContact O-N 2.81Å; H63-H66 PolarHBondContact O-N 3.08Å; R64-H66 VanDerWaalsContact C-N 3.34Å; R64-H66 PolarHBondContact O-N 3.22Å; H66-E69 PolarHBondContact O-N 3.08Å; H66-T70 WeakPolarHBondContact O-CB 3.15Å; H66-T70 PolarHBondContact O-N 2.9Å; H66-T70 PolarHBondContact O-OG1 3.17Å
67R90.7Very high89.4Confident181 Ų18189.8 Ų89.868%0.68342%0.424SS*.Hα-helixtrans-62-43.3174.4-74.6176.7-175.4178.22111.8H63 R64 K65 T70 R71H63-R67 WeakPolarHBondContact O-CB 3.46Å; H63-R67 VanDerWaalsContact O-CG 3.29Å; H63-R67 WeakPolarHBondContact O-CG 3.42Å; H63-R67 PolarHBondContact O-N 3.39Å; R64-R67 PolarHBondContact O-N 2.77Å; K65-R67 PolarHBondContact O-N 3.24Å; R67-T70 PolarHBondContact O-N 3.24Å; R67-R71 WeakPolarHBondContact O-CB 3.46Å; R67-R71 PolarHBondContact O-N 3.45Å
68D90.7Very high89.3Confident8 Ų894.4 Ų94.44%0.04344%0.436CS..Hα-helixtrans-63.3-45176.9-97.1-30000111.8R64 K65 T70 R71 I72 Y140R64-D68 PolarHBondContact O-N 2.73Å; K65-D68 PolarHBondContact O-N 3.4Å; D68-T70 PolarHBondContact O-N 3.4Å; D68-R71 PolarHBondContact O-N 3.41Å; D68-R71 IonicContact OD1-CZ 3.56Å; D68-R71 IonicContact OD1-NE 3.28Å; D68-R71 PolarHBondContact OD1-NE 3.5Å; D68-R71 IonicContact OD1-NH2 2.94Å; D68-R71 PolarHBondContact OD1-NH2 3.12Å; D68-I72 WeakPolarHBondContact O-CB 3.32Å; D68-I72 WeakPolarHBondContact O-CG1 3.38Å; D68-I72 PolarHBondContact O-N 2.94Å; D68-Y140 PolarHBondContact OD2-OH 3.35Å
69E91.5Very high89Confident80 Ų8094.6 Ų94.637%0.37445%0.448SS..Hα-helixtrans-62.2-44177.9-75170.5-175.700111.8K65 H66 R71 I72 R73K65-E69 WeakPolarHBondContact CE-OE1 3.25Å; K65-E69 WeakPolarHBondContact CG-OE1 3.36Å; K65-E69 WeakPolarHBondContact O-CG 3.2Å; K65-E69 PolarHBondContact O-N 2.89Å; H66-E69 PolarHBondContact O-N 3.08Å; E69-R71 VanDerWaalsContact C-N 3.35Å; E69-R71 PolarHBondContact O-N 3.32Å; E69-I72 PolarHBondContact O-N 3.16Å; E69-R73 WeakPolarHBondContact O-CB 3.43Å; E69-R73 PolarHBondContact O-N 3.39Å
70T92.4Very high88.2Confident26 Ų2693.7 Ų93.716%0.1646%0.455CS..Hα-helixtrans-62.5-43.1176-59.90000111.2H66 R67 D68 R73 R74H66-T70 WeakPolarHBondContact O-CB 3.15Å; H66-T70 PolarHBondContact O-N 2.9Å; H66-T70 PolarHBondContact O-OG1 3.17Å; R67-T70 PolarHBondContact O-N 3.24Å; D68-T70 PolarHBondContact O-N 3.4Å; T70-R73 PolarHBondContact O-N 2.9Å; T70-R74 WeakPolarHBondContact O-CB 3.13Å; T70-R74 VanDerWaalsContact O-CG 3.29Å; T70-R74 WeakPolarHBondContact O-CG 3.36Å; T70-R74 PolarHBondContact O-N 3.07Å
71R91.9Very high87.3Confident64 Ų6491.5 Ų91.524%0.24245%0.45CS..Hα-helixtrans-61.6-45.8175.5178.8-173.662.287.2-0.9111.5R67 D68 E69 R73 R74 A75 M136R67-R71 WeakPolarHBondContact O-CB 3.46Å; R67-R71 PolarHBondContact O-N 3.45Å; D68-R71 PolarHBondContact O-N 3.41Å; D68-R71 IonicContact OD1-CZ 3.56Å; D68-R71 IonicContact OD1-NE 3.28Å; D68-R71 PolarHBondContact OD1-NE 3.5Å; D68-R71 IonicContact OD1-NH2 2.94Å; D68-R71 PolarHBondContact OD1-NH2 3.12Å; E69-R71 VanDerWaalsContact C-N 3.35Å; E69-R71 PolarHBondContact O-N 3.32Å; R71-R73 VanDerWaalsContact C-N 3.35Å; R71-R74 PolarHBondContact O-N 3.35Å; R71-A75 VanDerWaalsContact O-CB 3.29Å; R71-A75 WeakPolarHBondContact O-CB 3.07Å; R71-A75 PolarHBondContact O-N 2.76Å; R71-M136 VanDerWaalsContact CZ-O 3.29Å; R71-M136 PolarHBondContact NH1-O 2.78Å; R71-M136 PolarHBondContact NH2-O 3.13Å
72I89.6Confident86.7Confident24 Ų2494 Ų9412%0.12348%0.476CS..Hα-helixtrans-62.3-44.5178.2-67.9166.4000110.1D68 E69 A75 G76 R105 V106 M136D68-I72 WeakPolarHBondContact O-CB 3.32Å; D68-I72 WeakPolarHBondContact O-CG1 3.38Å; D68-I72 PolarHBondContact O-N 2.94Å; E69-I72 PolarHBondContact O-N 3.16Å; I72-A75 PolarHBondContact O-N 3.15Å; I72-G76 PolarHBondContact O-N 3.39Å; I72-R105 HydrophobicContact CD1-CB 4.43Å; I72-V106 HydrophobicContact CD1-CG2 3.85Å; I72-M136 HydrophobicContact CD1-CG 4.15Å; I72-M136 HydrophobicContact CD1-SD 4.18Å; I72-M136 HydrophobicContact CG1-CG 4.14Å; I72-M136 HydrophobicContact CG2-CE 4.28Å
73R91Very high86.1Confident172 Ų17295.2 Ų95.265%0.64948%0.475SS*.Hα-helixtrans-58.2-50175.5-170.3177.874.6-177.23.8110.9E69 T70 R71 A75 G76 H77E69-R73 WeakPolarHBondContact O-CB 3.43Å; E69-R73 PolarHBondContact O-N 3.39Å; T70-R73 PolarHBondContact O-N 2.9Å; R71-R73 VanDerWaalsContact C-N 3.35Å; R73-A75 VanDerWaalsContact C-N 3.32Å; R73-A75 PolarHBondContact O-N 2.71Å; R73-G76 PolarHBondContact O-N 3.01Å; R73-H77 PolarHBondContact O-N 3.4Å; R73-H77 PolarHBondContact O-ND1 3.32Å
74R90.2Very high85.5Confident162 Ų16291.1 Ų91.161%0.61146%0.459SS*.Hα-helixtrans-60.2-40.7176.4-72175.3-177.41781.9112.1T70 R71 G76 H77 R78T70-R74 WeakPolarHBondContact O-CB 3.13Å; T70-R74 VanDerWaalsContact O-CG 3.29Å; T70-R74 WeakPolarHBondContact O-CG 3.36Å; T70-R74 PolarHBondContact O-N 3.07Å; R71-R74 PolarHBondContact O-N 3.35Å; R74-G76 VanDerWaalsContact C-N 3.29Å; R74-G76 PolarHBondContact O-N 3.38Å; R74-H77 PolarHBondContact O-N 2.91Å; R74-R78 PolarHBondContact O-N 3.3Å
75A85.6Confident85.2Confident29 Ų2990.1 Ų90.124%0.2447%0.466CS..Hα-helixtrans-66.4-30.1179.200000113R71 I72 R73 H77 R78R71-A75 VanDerWaalsContact O-CB 3.29Å; R71-A75 WeakPolarHBondContact O-CB 3.07Å; R71-A75 PolarHBondContact O-N 2.76Å; I72-A75 PolarHBondContact O-N 3.15Å; R73-A75 VanDerWaalsContact C-N 3.32Å; R73-A75 PolarHBondContact O-N 2.71Å; A75-H77 VanDerWaalsContact C-N 3.35Å; A75-R78 PolarHBondContact O-N 2.86Å
76G83.9Confident84.5Confident66 Ų6690.2 Ų90.268%0.6848%0.484SS*.Hα-helixtrans-70.9-26.4174.500000114.1I72 R73 R74I72-G76 PolarHBondContact O-N 3.39Å; R73-G76 PolarHBondContact O-N 3.01Å; R74-G76 VanDerWaalsContact C-N 3.29Å; R74-G76 PolarHBondContact O-N 3.38Å
77H86.8Confident83.9Confident162 Ų16293.5 Ų93.575%0.7550%0.496SS*.Hα-helixtrans-84.4-15175-65.974.2000112.6R73 R74 A75R73-H77 PolarHBondContact O-N 3.4Å; R73-H77 PolarHBondContact O-ND1 3.32Å; R74-H77 PolarHBondContact O-N 2.91Å; A75-H77 VanDerWaalsContact C-N 3.35Å
78R83.3Confident83.5Confident167 Ų16786.8 Ų86.863%0.6347%0.474SS*.SBendtrans-77.5148.3175.9-73.3179.2-180178.5-2.4109.8R74 A75R74-R78 PolarHBondContact O-N 3.3Å; A75-R78 PolarHBondContact O-N 2.86Å
79P80.6Confident83.6Confident112 Ų11293 Ų9373%0.72750%0.497SS*.PPolyproline II helixtrans-55149.7172.523.8-33.3000110.7
80A73.9Confident83.7Confident75 Ų7589.6 Ų89.662%0.6248%0.481SS*.PPolyproline II helixtrans-54.8139.117700000109.4A82A80-A82 PolarHBondContact O-N 3.27Å
81P70.3Confident83.9Confident51 Ų5188.3 Ų88.333%0.33147%0.474SS..PPolyproline II helixtrans-58.5138.5176.726.6-32.8000109.4M83 K135P81-M83 PolarHBondContact O-N 3.47Å; P81-K135 HydrophobicContact CG-CD 4.22Å
82A76.1Confident84.1Confident92 Ų9285.3 Ų85.376%0.7646%0.462SS*.PPolyproline II helixtrans-54.4134.1172.100000108.9A80A80-A82 PolarHBondContact O-N 3.27Å
83M77.5Confident84.4Confident98 Ų9884.1 Ų84.148%0.48346%0.456SS..PPolyproline II helixtrans-65136.7175.7-73.3-64.8-66.900108.3P81 V126 K128 M131P81-M83 PolarHBondContact O-N 3.47Å; M83-V126 HydrophobicContact CE-CG1 4.14Å; M83-K128 HydrophobicContact SD-CG 4.37Å; M83-M131 HydrophobicContact SD-CG 4.35Å
84P79Confident84.6Confident26 Ų2676 Ų7617%0.16943%0.425CS..PPolyproline II helixtrans-61.7157.4174.128.5-34.4000109.9N88 V126 F145P84-N88 HydrophobicContact CB-CB 4.18Å; P84-V126 HydrophobicContact CG-CG1 3.63Å; P84-F145 HydrophobicContact CB-CE1 4.06Å; P84-F145 HydrophobicContact CB-CE2 4.13Å; P84-F145 HydrophobicContact CB-CZ 3.42Å; P84-F145 VanDerWaalsContact CB-CZ 3.42Å; P84-F145 HydrophobicContact CG-CE1 4.08Å; P84-F145 HydrophobicContact CG-CZ 3.84Å
85P82Confident84.8Confident87 Ų8769.1 Ų69.157%0.56540%0.4SS*.PPolyproline II helixtrans-54149.8-178.822.6-34.1000110.9K87 N88P85-K87 PolarHBondContact O-N 3.38Å; P85-N88 WeakPolarHBondContact O-CB 3.25Å; P85-N88 PolarHBondContact O-N 2.87Å
86A75.8Confident85.1Confident93 Ų9368 Ų6877%0.76939%0.39SS*.THydrogen-bonded Turntrans-54.1-24.7-173.600000114.4N88 R89A86-N88 PolarHBondContact O-N 3.13Å; A86-R89 WeakPolarHBondContact O-CG 3.4Å
87K78.3Confident85.3Confident188 Ų18868.9 Ų68.982%0.81737%0.373SS*.THydrogen-bonded Turntrans-59.5-28.9173.2-170.3173.1-178.6175.50113.3P85 R89P85-K87 PolarHBondContact O-N 3.38Å; K87-R89 PolarHBondContact O-N 3.4Å
88N83.4Confident85.4Confident40 Ų4066.2 Ų66.221%0.21436%0.36CS..  trans-102.365.5-168.8-70.2-8.3000111.7P84 P85 A86 F145P84-N88 HydrophobicContact CB-CB 4.18Å; P85-N88 WeakPolarHBondContact O-CB 3.25Å; P85-N88 PolarHBondContact O-N 2.87Å; A86-N88 PolarHBondContact O-N 3.13Å; N88-F145 HydrophobicContact CB-CD1 3.54Å; N88-F145 HydrophobicContact CB-CD2 4.1Å; N88-F145 HydrophobicContact CB-CE1 3.68Å; N88-F145 HydrophobicContact CB-CE2 4.22Å; N88-F145 HydrophobicContact CB-CG 3.77Å; N88-F145 HydrophobicContact CB-CZ 4.02Å; N88-F145 WeakPolarHBondContact ND2-CD2 3.49Å
89R91.8Very high85.6Confident138 Ų13859.7 Ų59.752%0.52134%0.338SS..  trans-82.7-19.7-178.4-55.3177.274.7-162.18.2113.6A86 K87 V126 S197 V198A86-R89 WeakPolarHBondContact O-CG 3.4Å; K87-R89 PolarHBondContact O-N 3.4Å; R89-V126 WeakPolarHBondContact O-CB 3.34Å; R89-V126 WeakPolarHBondContact O-CG2 3.35Å; R89-V126 PolarHBondContact O-N 3.28Å; R89-S197 PolarHBondContact NH1-O 3.44Å; R89-V198 HydrophobicContact CB-CB 4.31Å; R89-V198 HydrophobicContact CB-CG2 3.91Å
90L94.9Very high85.9Confident9 Ų960.8 Ų60.85%0.04733%0.331CS..EExtended strand (participates in β ladder)trans-112.3129.7-178.3-179.165.5000110.4F123 F145 P146 V151 I195 V198 F202L90-F123 HydrophobicContact CD1-CB 4.05Å; L90-F123 HydrophobicContact CD1-CD1 4.25Å; L90-F123 HydrophobicContact CD1-CG 4.45Å; L90-F123 HydrophobicContact CD2-CD1 4.19Å; L90-F123 HydrophobicContact CG-CD1 4.45Å; L90-F145 WeakPolarHBondContact O-CD1 3.49Å; L90-P146 HydrophobicContact CD2-CG 3.78Å; L90-P146 HydrophobicContact CG-CG 4.05Å; L90-P146 WeakPolarHBondContact O-CD 3.47Å; L90-V151 HydrophobicContact CD2-CG2 4.05Å; L90-I195 HydrophobicContact CD1-CG2 4.42Å; L90-I195 HydrophobicContact CD2-CG2 3.99Å; L90-V198 HydrophobicContact CB-CG2 3.72Å; L90-V198 HydrophobicContact CD1-CG2 4.27Å; L90-F202 HydrophobicContact CD1-CE2 3.59Å; L90-F202 HydrophobicContact CD1-CZ 3.75Å
91A95.6Very high86.4Confident0 Ų058.1 Ų58.10%031%0.311CS..EExtended strand (participates in β ladder)trans-112.7146.7168.300000110.7V124 V126 L134 G144A91-V124 HydrophobicContact CB-CB 4.46Å; A91-V124 PolarHBondContact N-O 3.05Å; A91-V124 PolarHBondContact O-N 3.03Å; A91-V126 HydrophobicContact CB-CG2 3.79Å; A91-L134 HydrophobicContact CB-CD1 4.32Å; A91-G144 CarbonylContact C-O 3.49Å; A91-G144 VanDerWaalsContact CA-O 3.25Å; A91-G144 WeakPolarHBondContact CA-O 3.42Å
92F96.6Very high87.4Confident0 Ų056.4 Ų56.40%030%0.299CS..EExtended strand (participates in β ladder)trans-109.4127.9166.4-172.4-112.3000108.8V94 F123 W143 G144 P146 L154 F212 L214 I241 I245F92-V94 HydrophobicContact CD1-CG2 3.55Å; F92-V94 HydrophobicContact CE1-CG2 3.11Å; F92-V94 HydrophobicContact CZ-CG2 3.97Å; F92-F123 HydrophobicContact CB-CD1 4.4Å; F92-F123 HydrophobicContact CB-CE1 4.48Å; F92-F123 AromaticContact CD2-CD1 3.55Å; F92-F123 HydrophobicContact CD2-CD1 3.55Å; F92-F123 AromaticContact CD2-CE1 3.5Å; F92-F123 HydrophobicContact CD2-CE1 3.5Å; F92-F123 VanDerWaalsContact CD2-CE1 3.5Å; F92-F123 HydrophobicContact CD2-CG 4.33Å; F92-F123 HydrophobicContact CD2-CZ 4.28Å; F92-F123 HydrophobicContact CE2-CD1 4.31Å; F92-F123 HydrophobicContact CE2-CE1 4.05Å; F92-F123 HydrophobicContact CE2-CZ 4.41Å; F92-F123 HydrophobicContact CG-CD1 4.44Å; F92-F123 HydrophobicContact CG-CE1 4.32Å; F92-W143 WeakPolarHBondContact O-CA 3.3Å; F92-W143 WeakPolarHBondContact O-CB 3.34Å; F92-G144 PolarHBondContact N-O 3.17Å; F92-G144 PolarHBondContact O-N 3.04Å; F92-P146 HydrophobicContact CB-CB 4.18Å; F92-P146 HydrophobicContact CB-CG 4.01Å; F92-L154 HydrophobicContact CD2-CD1 4.18Å; F92-L154 HydrophobicContact CE1-CD1 4.01Å; F92-L154 HydrophobicContact CE2-CD1 3.65Å; F92-L154 HydrophobicContact CZ-CD1 3.54Å; F92-L154 HydrophobicContact CZ-CD2 4.28Å; F92-F212 AromaticContact CE2-CD2 3.88Å; F92-F212 HydrophobicContact CE2-CD2 3.88Å; F92-F212 HydrophobicContact CE2-CE2 4.31Å; F92-F212 HydrophobicContact CZ-CD2 4.38Å; F92-L214 HydrophobicContact CE1-CD1 4.23Å; F92-L214 HydrophobicContact CZ-CD1 4.32Å; F92-I241 HydrophobicContact CD1-CG1 4.28Å; F92-I245 HydrophobicContact CB-CD1 4.34Å; F92-I245 HydrophobicContact CD1-CD1 3.48Å; F92-I245 VanDerWaalsContact CD1-CD1 3.48Å; F92-I245 HydrophobicContact CD1-CG1 3.59Å; F92-I245 HydrophobicContact CE1-CD1 3.93Å; F92-I245 HydrophobicContact CE1-CG1 3.58Å; F92-I245 HydrophobicContact CG-CD1 4.06Å
93A96.6Very high88.2Confident0 Ų052 Ų520%026%0.264CS..EExtended strand (participates in β ladder)trans-116.9127.9-178.700000110L115 G121 A122 V124 L134 V141 W143A93-L115 HydrophobicContact CB-CD1 4.05Å; A93-L115 WeakPolarHBondContact O-CD2 3.25Å; A93-G121 CarbonylContact O-C 3.51Å; A93-G121 VanDerWaalsContact O-CA 3.25Å; A93-G121 WeakPolarHBondContact O-CA 3.47Å; A93-A122 PolarHBondContact N-O 3.09Å; A93-A122 PolarHBondContact O-N 2.66Å; A93-V124 HydrophobicContact CB-CG2 4.21Å; A93-L134 HydrophobicContact CB-CD2 3.99Å; A93-V141 HydrophobicContact CB-CG1 3.88Å; A93-W143 HydrophobicContact CB-CB 4.04Å
94V95.3Very high88.9Confident0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-122.8128.1178.9-177.50000109.7F92 I96 S120 V141 A142 L214 L248F92-V94 HydrophobicContact CD1-CG2 3.55Å; F92-V94 HydrophobicContact CE1-CG2 3.11Å; F92-V94 HydrophobicContact CZ-CG2 3.97Å; V94-I96 HydrophobicContact CG1-CG1 4.31Å; V94-I96 PolarHBondContact O-N 2.96Å; V94-S120 WeakPolarHBondContact CA-O 3.31Å; V94-V141 CarbonylContact O-C 3.4Å; V94-V141 WeakPolarHBondContact O-CA 3.49Å; V94-V141 WeakPolarHBondContact O-CG1 3.46Å; V94-A142 PolarHBondContact N-O 3.3Å; V94-A142 PolarHBondContact O-N 2.66Å; V94-L214 HydrophobicContact CB-CD1 4.46Å; V94-L214 HydrophobicContact CG1-CD1 3.8Å; V94-L214 HydrophobicContact CG2-CD1 3.74Å; V94-L248 HydrophobicContact CG1-CD1 4.17Å
95R94Very high89.5Confident18 Ų1857.9 Ų57.97%0.06829%0.286CS..EExtended strand (participates in β ladder)trans-81.2117.5173.7177.2172.3164.3-157.6-12.2110.8R97 L115 R116 K117 F119 S120 V141R95-R97 WeakPolarHBondContact CG-O 3.3Å; R95-R97 PolarHBondContact NE-O 2.78Å; R95-L115 HydrophobicContact CB-CB 4.17Å; R95-L115 VanDerWaalsContact CD-O 3.27Å; R95-L115 WeakPolarHBondContact CD-O 3.18Å; R95-L115 PolarHBondContact NH1-O 2.99Å; R95-R116 VanDerWaalsContact NH1-C 3.26Å; R95-R116 PolarHBondContact NH1-O 3.04Å; R95-K117 WeakPolarHBondContact CD-O 3.26Å; R95-F119 VanDerWaalsContact O-CA 3.32Å; R95-F119 WeakPolarHBondContact O-CA 3.27Å; R95-F119 PolarHBondContact O-N 2.92Å; R95-S120 PolarHBondContact N-O 3.27Å; R95-V141 HydrophobicContact CB-CG2 4.39Å
96I91.2Very high90.1Very high6 Ų653.7 Ų53.73%0.03126%0.259CS..  trans-105.8-30-177.8-56.5161.8000111.7V94 I118 F119 Y140 A142 L227 I231V94-I96 HydrophobicContact CG1-CG1 4.31Å; V94-I96 PolarHBondContact O-N 2.96Å; I96-I118 WeakPolarHBondContact O-CD1 3.5Å; I96-F119 HydrophobicContact CG2-CE1 4.17Å; I96-Y140 PolarHBondContact N-O 2.8Å; I96-Y140 VanDerWaalsContact N-O 3.09Å; I96-A142 HydrophobicContact CD1-CB 3.2Å; I96-A142 HydrophobicContact CG1-CB 4.31Å; I96-L227 HydrophobicContact CB-CD1 4.41Å; I96-L227 HydrophobicContact CG2-CD1 3.29Å; I96-I231 HydrophobicContact CD1-CG2 3.44Å; I96-I231 VanDerWaalsContact CD1-CG2 3.44Å; I96-I231 HydrophobicContact CG1-CG2 4.02Å; I96-I231 HydrophobicContact CG2-CG2 4.02Å
97R89Confident90.9Very high85 Ų8553.5 Ų53.532%0.32124%0.242SC..SBendtrans-103.9158-179.8-63.7-170.6-179.5162.8-4.8113.6R95 P139 Y140 L227 N233 P234R95-R97 WeakPolarHBondContact CG-O 3.3Å; R95-R97 PolarHBondContact NE-O 2.78Å; R97-P139 WeakPolarHBondContact CD-O 3.25Å; R97-P139 PolarHBondContact NH1-O 3.35Å; R97-Y140 HydrophobicContact CB-CD1 4.32Å; R97-Y140 PolarHBondContact N-O 3.17Å; R97-Y140 VanDerWaalsContact N-O 3.16Å; R97-L227 HydrophobicContact CG-CD1 4.28Å; R97-N233 PolarHBondContact NH2-OD1 2.9Å; R97-P234 HydrophobicContact CG-CG 3.74Å; R97-P234 VanDerWaalsContact NE-CG 3.28Å; R97-P234 VanDerWaalsContact NH2-CD 3.34Å
98E88Confident91.7Very high105 Ų10551.3 Ų51.349%0.49123%0.233SC..  trans-70.9150.5168.8-63.9-164.1169.400111.6K100 I118E98-K100 IonicContact OE1-NZ 2.67Å; E98-K100 WeakPolarHBondContact OE2-CD 3.42Å; E98-K100 WeakPolarHBondContact OE2-CE 3.49Å; E98-K100 IonicContact OE2-NZ 3.99Å; E98-K100 PolarHBondContact OE2-NZ 2.87Å; E98-I118 HydrophobicContact CG-CD1 4.2Å
99I88.8Confident92.3Very high31 Ų3149.9 Ų49.916%0.15923%0.226CC..  trans-114.630.8-176.669.1178.9000112G101 V102 I110 Y140I99-G101 PolarHBondContact O-N 3.22Å; I99-V102 HydrophobicContact CB-CG1 3.88Å; I99-V102 HydrophobicContact CB-CG2 4.04Å; I99-V102 WeakPolarHBondContact O-CG1 3.39Å; I99-V102 WeakPolarHBondContact O-CG2 3.27Å; I99-I110 HydrophobicContact CB-CD1 4.47Å; I99-I110 HydrophobicContact CD1-CD1 4.34Å; I99-I110 HydrophobicContact CD1-CG2 4.08Å; I99-I110 HydrophobicContact CG2-CD1 3.56Å; I99-Y140 HydrophobicContact CG2-CD1 4.08Å; I99-Y140 HydrophobicContact CG2-CG 4.18Å
100K86.3Confident92.5Very high134 Ų13443.4 Ų43.458%0.58320%0.201SC*.THydrogen-bonded Turntrans-71.1127.2176.9-68.5174-178.2149.40109.6R64 E98R64-K100 PolarHBondContact NH1-O 2.77Å; E98-K100 IonicContact OE1-NZ 2.67Å; E98-K100 WeakPolarHBondContact OE2-CD 3.42Å; E98-K100 WeakPolarHBondContact OE2-CE 3.49Å; E98-K100 IonicContact OE2-NZ 3.99Å; E98-K100 PolarHBondContact OE2-NZ 2.87Å
101G85.1Confident92.5Very high20 Ų2047.6 Ų47.621%0.20622%0.22CC..THydrogen-bonded Turntrans75.320.3177.400000115.4D61 R64 I99D61-G101 VanDerWaalsContact OD1-CA 3.24Å; D61-G101 WeakPolarHBondContact OD1-CA 3.44Å; R64-G101 WeakPolarHBondContact CB-O 3.48Å; I99-G101 PolarHBondContact O-N 3.22Å
102V90.4Very high92.4Very high14 Ų1452.3 Ų52.39%0.08524%0.244CC..  trans-79.7159.4179.1-56.70000112I99 Q107 Y140I99-V102 HydrophobicContact CB-CG1 3.88Å; I99-V102 HydrophobicContact CB-CG2 4.04Å; I99-V102 WeakPolarHBondContact O-CG1 3.39Å; I99-V102 WeakPolarHBondContact O-CG2 3.27Å; V102-Q107 HydrophobicContact CG2-CB 4.05Å; V102-Y140 HydrophobicContact CG1-CD1 4.43Å; V102-Y140 HydrophobicContact CG1-CE1 3.6Å; V102-Y140 HydrophobicContact CG1-CE2 4.05Å; V102-Y140 VanDerWaalsContact CG1-OH 3.28Å; V102-Y140 WeakPolarHBondContact CG1-OH 3.49Å
103S92.3Very high92.4Very high1 Ų153 Ų531%0.00725%0.247CC..  trans-59140.6173.9177.60000111.7R105 V106 Q107S103-R105 PolarHBondContact O-N 2.87Å; S103-R105 VanDerWaalsContact O-N 3.11Å; S103-V106 WeakPolarHBondContact O-CB 3.47Å; S103-V106 PolarHBondContact O-N 2.76Å; S103-Q107 PolarHBondContact O-N 3.48Å
104P92.3Very high92.3Very high73 Ų7355.8 Ų55.847%0.47426%0.258SS..Hα-helixtrans-54.6-32178.1-27.134.5000113.8Q107 K108P104-Q107 PolarHBondContact O-N 3.07Å; P104-K108 WeakPolarHBondContact O-CB 3.47Å; P104-K108 PolarHBondContact O-N 3.38Å
105R92.4Very high92.3Very high173 Ų17355.8 Ų55.865%0.65326%0.258SS*.Hα-helixtrans-62.1-48.5176-67.4-176.8-179-1791111.3I72 S103 Q107 K108 V109 M136I72-R105 HydrophobicContact CD1-CB 4.43Å; S103-R105 PolarHBondContact O-N 2.87Å; S103-R105 VanDerWaalsContact O-N 3.11Å; R105-Q107 VanDerWaalsContact C-N 3.34Å; R105-Q107 PolarHBondContact O-N 2.98Å; R105-K108 PolarHBondContact O-N 3.12Å; R105-V109 WeakPolarHBondContact O-CG2 3.07Å; R105-V109 PolarHBondContact O-N 3.24Å; R105-V109 VanDerWaalsContact O-N 3.11Å; R105-M136 HydrophobicContact CB-SD 4.43Å
106V93.3Very high92.2Very high0 Ų063.9 Ų63.90%029%0.289CS..Hα-helixtrans-62.8-43.8176.9-179.90000110.2I72 S103 K108 V109 I110 M136 V137 Y140I72-V106 HydrophobicContact CD1-CG2 3.85Å; S103-V106 WeakPolarHBondContact O-CB 3.47Å; S103-V106 PolarHBondContact O-N 2.76Å; V106-K108 VanDerWaalsContact C-N 3.31Å; V106-K108 PolarHBondContact O-N 3.3Å; V106-V109 PolarHBondContact O-N 3.05Å; V106-I110 HydrophobicContact CG1-CD1 3.97Å; V106-I110 HydrophobicContact CG1-CG1 4.41Å; V106-I110 WeakPolarHBondContact O-CG1 3.21Å; V106-I110 PolarHBondContact O-N 3.3Å; V106-M136 HydrophobicContact CG2-CG 4.26Å; V106-V137 HydrophobicContact CG1-CG1 4.25Å; V106-Y140 HydrophobicContact CG1-CD2 3.88Å; V106-Y140 HydrophobicContact CG1-CE2 3.77Å
107Q93.8Very high92.2Very high88 Ų8869.9 Ų69.941%0.41131%0.314SS..Hα-helixtrans-59.9-42178.8-165.6178.54.900111.9V102 S103 P104 R105 I110 Q111V102-Q107 HydrophobicContact CG2-CB 4.05Å; S103-Q107 PolarHBondContact O-N 3.48Å; P104-Q107 PolarHBondContact O-N 3.07Å; R105-Q107 VanDerWaalsContact C-N 3.34Å; R105-Q107 PolarHBondContact O-N 2.98Å; Q107-I110 PolarHBondContact O-N 3.16Å; Q107-Q111 VanDerWaalsContact O-CG 3.29Å; Q107-Q111 WeakPolarHBondContact O-CG 3.21Å; Q107-Q111 PolarHBondContact O-N 2.85Å
108K95.1Very high92.3Very high143 Ų14369.3 Ų69.362%0.62232%0.317SS*.Hα-helixtrans-63.4-42.6176.1-166.7171.2-175.9176.50111.5P104 R105 V106 Q111 M112P104-K108 WeakPolarHBondContact O-CB 3.47Å; P104-K108 PolarHBondContact O-N 3.38Å; R105-K108 PolarHBondContact O-N 3.12Å; V106-K108 VanDerWaalsContact C-N 3.31Å; V106-K108 PolarHBondContact O-N 3.3Å; K108-Q111 WeakPolarHBondContact O-CB 3.3Å; K108-Q111 PolarHBondContact O-N 3.42Å; K108-M112 WeakPolarHBondContact O-CG 3.48Å; K108-M112 PolarHBondContact O-N 3.4Å
109V95.8Very high92.5Very high10 Ų1065.7 Ų65.76%0.06130%0.299CS..Hα-helixtrans-63.7-43.9176.61790000112R105 V106 Q111 M112 L113 M133 M136 V137R105-V109 WeakPolarHBondContact O-CG2 3.07Å; R105-V109 PolarHBondContact O-N 3.24Å; R105-V109 VanDerWaalsContact O-N 3.11Å; V106-V109 PolarHBondContact O-N 3.05Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 2.88Å; V109-M112 HydrophobicContact CB-CE 4.19Å; V109-M112 HydrophobicContact CG2-CE 3.76Å; V109-M112 WeakPolarHBondContact O-CB 3.32Å; V109-M112 PolarHBondContact O-N 2.86Å; V109-M112 VanDerWaalsContact O-N 3.13Å; V109-L113 HydrophobicContact CG1-CD1 4.21Å; V109-L113 HydrophobicContact CG1-CG 4.46Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 3.19Å; V109-M133 HydrophobicContact CG1-CB 3.62Å; V109-M133 HydrophobicContact CG1-CG 3.88Å; V109-M133 HydrophobicContact CG1-SD 4.43Å; V109-M136 HydrophobicContact CG2-SD 3.71Å; V109-V137 HydrophobicContact CB-CG1 3.86Å; V109-V137 HydrophobicContact CG1-CG1 3.51Å
110I95.5Very high92.8Very high2 Ų264.5 Ų64.51%0.0129%0.294CS..Hα-helixtrans-61.5-36.7176.3-69.2-179.3000111.3I99 V106 Q107 R114 L115 V137I99-I110 HydrophobicContact CB-CD1 4.47Å; I99-I110 HydrophobicContact CD1-CD1 4.34Å; I99-I110 HydrophobicContact CD1-CG2 4.08Å; I99-I110 HydrophobicContact CG2-CD1 3.56Å; V106-I110 HydrophobicContact CG1-CD1 3.97Å; V106-I110 HydrophobicContact CG1-CG1 4.41Å; V106-I110 WeakPolarHBondContact O-CG1 3.21Å; V106-I110 PolarHBondContact O-N 3.3Å; Q107-I110 PolarHBondContact O-N 3.16Å; I110-R114 PolarHBondContact O-N 3.5Å; I110-L115 HydrophobicContact CG2-CB 4.04Å; I110-L115 WeakPolarHBondContact CG2-O 3.26Å; I110-L115 PolarHBondContact O-N 3.28Å; I110-V137 HydrophobicContact CD1-CG1 4.32Å; I110-V137 HydrophobicContact CG1-CB 4.14Å; I110-V137 HydrophobicContact CG1-CG1 3.57Å
111Q94.5Very high93.2Very high96 Ų9658.1 Ų58.145%0.44927%0.266SS..Hα-helixtrans-67.5-41174-71174.819.700112.5Q107 K108 V109 L113 R114Q107-Q111 VanDerWaalsContact O-CG 3.29Å; Q107-Q111 WeakPolarHBondContact O-CG 3.21Å; Q107-Q111 PolarHBondContact O-N 2.85Å; K108-Q111 WeakPolarHBondContact O-CB 3.3Å; K108-Q111 PolarHBondContact O-N 3.42Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 2.88Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-R114 WeakPolarHBondContact O-CA 3.47Å; Q111-R114 PolarHBondContact O-N 3.43Å
112M95Very high93.8Very high100 Ų10057.3 Ų57.349%0.49326%0.258SS..Hα-helixtrans-62.2-40.6175.1-71.2-172-6600111.8K108 V109 R114 M133K108-M112 WeakPolarHBondContact O-CG 3.48Å; K108-M112 PolarHBondContact O-N 3.4Å; V109-M112 HydrophobicContact CB-CE 4.19Å; V109-M112 HydrophobicContact CG2-CE 3.76Å; V109-M112 WeakPolarHBondContact O-CB 3.32Å; V109-M112 PolarHBondContact O-N 2.86Å; V109-M112 VanDerWaalsContact O-N 3.13Å; M112-R114 PolarHBondContact O-N 3.06Å; M112-M133 HydrophobicContact CE-CE 3.64Å; M112-M133 HydrophobicContact CE-SD 4.1Å; M112-M133 HydrophobicContact SD-CE 4.07Å
113L95.3Very high94.1Very high14 Ų1457.1 Ų57.17%0.07326%0.256CS..THydrogen-bonded Turntrans-72.5-4.6173.2-64.4176.5000113.4V109 Q111 L115 A122 V124 L134 V137V109-L113 HydrophobicContact CG1-CD1 4.21Å; V109-L113 HydrophobicContact CG1-CG 4.46Å; V109-L113 WeakPolarHBondContact O-CG 3.42Å; V109-L113 PolarHBondContact O-N 3.19Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; L113-L115 VanDerWaalsContact C-N 3.25Å; L113-L115 HydrophobicContact CB-CD1 4.04Å; L113-L115 HydrophobicContact CB-CG 3.98Å; L113-L115 HydrophobicContact CD1-CD1 4.33Å; L113-L115 PolarHBondContact O-N 3.16Å; L113-A122 WeakPolarHBondContact O-CB 3.42Å; L113-V124 HydrophobicContact CD2-CG1 4.26Å; L113-V124 HydrophobicContact CD2-CG2 3.89Å; L113-L134 HydrophobicContact CD1-CD2 4.18Å; L113-V137 HydrophobicContact CD1-CG2 3.88Å
114R95.1Very high94.3Very high58 Ų5857.7 Ų57.722%0.21926%0.259CS..THydrogen-bonded Turntrans64.822.2-179.6-50177.8-70.9164.4-2.9114.4I110 Q111 M112 R116 S206 I209 P211I110-R114 PolarHBondContact O-N 3.5Å; Q111-R114 WeakPolarHBondContact O-CA 3.47Å; Q111-R114 PolarHBondContact O-N 3.43Å; M112-R114 PolarHBondContact O-N 3.06Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-R116 PolarHBondContact O-N 3.19Å; R114-R116 VanDerWaalsContact O-N 3.13Å; R114-S206 PolarHBondContact NH1-O 2.93Å; R114-S206 PolarHBondContact NH2-O 2.94Å; R114-S206 PolarHBondContact NH2-OG 3.23Å; R114-I209 PolarHBondContact NH1-O 2.9Å; R114-I209 VanDerWaalsContact NH1-O 3.07Å; R114-P211 HydrophobicContact CB-CG 3.52Å
115L95.3Very high94.4Very high0 Ų058.2 Ų58.20%025%0.254CS..  trans-90.554.7-177-59.4177.3000113A93 R95 I110 L113 S120 A122 V141A93-L115 HydrophobicContact CB-CD1 4.05Å; A93-L115 WeakPolarHBondContact O-CD2 3.25Å; R95-L115 HydrophobicContact CB-CB 4.17Å; R95-L115 VanDerWaalsContact CD-O 3.27Å; R95-L115 WeakPolarHBondContact CD-O 3.18Å; R95-L115 PolarHBondContact NH1-O 2.99Å; I110-L115 HydrophobicContact CG2-CB 4.04Å; I110-L115 WeakPolarHBondContact CG2-O 3.26Å; I110-L115 PolarHBondContact O-N 3.28Å; L113-L115 VanDerWaalsContact C-N 3.25Å; L113-L115 HydrophobicContact CB-CD1 4.04Å; L113-L115 HydrophobicContact CB-CG 3.98Å; L113-L115 HydrophobicContact CD1-CD1 4.33Å; L113-L115 PolarHBondContact O-N 3.16Å; L115-S120 VanDerWaalsContact CA-OG 3.25Å; L115-S120 WeakPolarHBondContact CA-OG 3.46Å; L115-S120 WeakPolarHBondContact CD2-O 3.39Å; L115-A122 HydrophobicContact CD2-CB 3.96Å; L115-V141 HydrophobicContact CD1-CG1 3.93Å; L115-V141 HydrophobicContact CD1-CG2 3.84Å
116R91.6Very high94.5Very high189 Ų18950.9 Ų50.971%0.71323%0.228SC*.  trans-73.1-32.6-170.2-66-174.8-179.7-177.7-0.7114.4R95 R114R95-R116 VanDerWaalsContact NH1-C 3.26Å; R95-R116 PolarHBondContact NH1-O 3.04Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-R116 PolarHBondContact O-N 3.19Å; R114-R116 VanDerWaalsContact O-N 3.13Å
117K91.8Very high94.4Very high131 Ų13154 Ų5457%0.5725%0.245SC*.SBendtrans-103.3157.2-179-66.8-162.8174.6-161.30110.3R95 S120R95-K117 WeakPolarHBondContact CD-O 3.26Å; K117-S120 WeakPolarHBondContact O-CB 3.44Å; K117-S120 PolarHBondContact O-N 2.75Å; K117-S120 PolarHBondContact O-OG 2.86Å
118I91.3Very high94.2Very high73 Ų7357.5 Ų57.537%0.37426%0.259SS..THydrogen-bonded Turntrans-65.1144.8166.1-162.3170.8000108.7I96 E98 S120I96-I118 WeakPolarHBondContact O-CD1 3.5Å; E98-I118 HydrophobicContact CG-CD1 4.2Å; I118-S120 PolarHBondContact O-N 3.38Å; I118-S120 VanDerWaalsContact O-N 3.17Å
119F92Very high94Very high29 Ų2954.9 Ų54.913%0.12726%0.255CS..THydrogen-bonded Turntrans56.124.9-173.3-51.5-65.8000114.4R95 I96 L214 V216 I231 L248R95-F119 VanDerWaalsContact O-CA 3.32Å; R95-F119 WeakPolarHBondContact O-CA 3.27Å; R95-F119 PolarHBondContact O-N 2.92Å; I96-F119 HydrophobicContact CG2-CE1 4.17Å; F119-L214 HydrophobicContact CB-CB 4.39Å; F119-L214 VanDerWaalsContact O-CB 3.3Å; F119-L214 WeakPolarHBondContact O-CB 3.37Å; F119-L214 PolarHBondContact O-N 2.66Å; F119-V216 HydrophobicContact CD1-CG2 3.84Å; F119-V216 HydrophobicContact CD2-CG2 3.51Å; F119-V216 HydrophobicContact CE1-CG2 3.74Å; F119-V216 HydrophobicContact CE2-CG2 3.42Å; F119-V216 VanDerWaalsContact CE2-CG2 3.42Å; F119-V216 HydrophobicContact CG-CG2 3.74Å; F119-V216 HydrophobicContact CZ-CG2 3.54Å; F119-I231 HydrophobicContact CE1-CD1 3.8Å; F119-L248 HydrophobicContact CD1-CD1 4.32Å; F119-L248 HydrophobicContact CD1-CD2 4.29Å
120S94.5Very high93.9Very high7 Ų755.2 Ų55.25%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-82139.4164.364.60000110.3V94 R95 L115 K117 I118 F212V94-S120 WeakPolarHBondContact CA-O 3.31Å; R95-S120 PolarHBondContact N-O 3.27Å; L115-S120 VanDerWaalsContact CA-OG 3.25Å; L115-S120 WeakPolarHBondContact CA-OG 3.46Å; L115-S120 WeakPolarHBondContact CD2-O 3.39Å; K117-S120 WeakPolarHBondContact O-CB 3.44Å; K117-S120 PolarHBondContact O-N 2.75Å; K117-S120 PolarHBondContact O-OG 2.86Å; I118-S120 PolarHBondContact O-N 3.38Å; I118-S120 VanDerWaalsContact O-N 3.17Å; S120-F212 CarbonylContact C-O 3.56Å; S120-F212 WeakPolarHBondContact CA-O 3.24Å
121G96Very high93.7Very high0 Ų055.6 Ų55.60%026%0.26CS..EExtended strand (participates in β ladder)trans-118.6147.4176.400000112.6A93 P211 F212A93-G121 CarbonylContact O-C 3.51Å; A93-G121 VanDerWaalsContact O-CA 3.25Å; A93-G121 WeakPolarHBondContact O-CA 3.47Å; G121-P211 CarbonylContact O-C 3.56Å; G121-P211 WeakPolarHBondContact O-CA 3.36Å; G121-F212 PolarHBondContact N-O 3.49Å; G121-F212 PolarHBondContact O-N 2.81Å
122A96.7Very high93.5Very high3 Ų353.6 Ų53.63%0.02526%0.259CS..EExtended strand (participates in β ladder)trans-146.7146.717400000111.9A93 L113 L115A93-A122 PolarHBondContact N-O 3.09Å; A93-A122 PolarHBondContact O-N 2.66Å; L113-A122 WeakPolarHBondContact O-CB 3.42Å; L115-A122 HydrophobicContact CD2-CB 3.96Å
123F97.1Very high93.5Very high10 Ų1051.1 Ų51.14%0.04425%0.247CC..EExtended strand (participates in β ladder)trans-79.5134.2170.2-66.1-56.5000110.9L90 F92 P146 V151 L154 I155 I195 F202 S206 F212L90-F123 HydrophobicContact CD1-CB 4.05Å; L90-F123 HydrophobicContact CD1-CD1 4.25Å; L90-F123 HydrophobicContact CD1-CG 4.45Å; L90-F123 HydrophobicContact CD2-CD1 4.19Å; L90-F123 HydrophobicContact CG-CD1 4.45Å; F92-F123 HydrophobicContact CB-CD1 4.4Å; F92-F123 HydrophobicContact CB-CE1 4.48Å; F92-F123 AromaticContact CD2-CD1 3.55Å; F92-F123 HydrophobicContact CD2-CD1 3.55Å; F92-F123 AromaticContact CD2-CE1 3.5Å; F92-F123 HydrophobicContact CD2-CE1 3.5Å; F92-F123 VanDerWaalsContact CD2-CE1 3.5Å; F92-F123 HydrophobicContact CD2-CG 4.33Å; F92-F123 HydrophobicContact CD2-CZ 4.28Å; F92-F123 HydrophobicContact CE2-CD1 4.31Å; F92-F123 HydrophobicContact CE2-CE1 4.05Å; F92-F123 HydrophobicContact CE2-CZ 4.41Å; F92-F123 HydrophobicContact CG-CD1 4.44Å; F92-F123 HydrophobicContact CG-CE1 4.32Å; F123-P146 HydrophobicContact CE1-CG 4.43Å; F123-V151 HydrophobicContact CE1-CG1 4.4Å; F123-V151 HydrophobicContact CE1-CG2 3.94Å; F123-V151 HydrophobicContact CE2-CG1 4.44Å; F123-V151 HydrophobicContact CZ-CB 4.32Å; F123-V151 HydrophobicContact CZ-CG1 3.91Å; F123-V151 HydrophobicContact CZ-CG2 4.19Å; F123-L154 HydrophobicContact CE1-CD1 4.34Å; F123-L154 HydrophobicContact CZ-CD1 4.08Å; F123-I155 HydrophobicContact CE2-CD1 4.17Å; F123-I155 HydrophobicContact CE2-CG1 4.17Å; F123-I195 HydrophobicContact CB-CG2 4.42Å; F123-I195 HydrophobicContact CD1-CG2 4.25Å; F123-I195 HydrophobicContact CD2-CD1 4.36Å; F123-I195 HydrophobicContact CD2-CG2 3.68Å; F123-I195 HydrophobicContact CE2-CD1 4.44Å; F123-I195 HydrophobicContact CE2-CG2 3.93Å; F123-I195 HydrophobicContact CG-CG2 3.87Å; F123-I195 HydrophobicContact CZ-CG2 4.37Å; F123-F202 HydrophobicContact CB-CZ 4.17Å; F123-S206 PolarHBondContact O-OG 3.23Å; F123-F212 AromaticContact CD2-CE2 3.72Å; F123-F212 HydrophobicContact CD2-CE2 3.72Å; F123-F212 HydrophobicContact CD2-CZ 4.24Å; F123-F212 AromaticContact CE2-CE2 3.33Å; F123-F212 HydrophobicContact CE2-CE2 3.33Å; F123-F212 AromaticContact CE2-CZ 3.53Å; F123-F212 HydrophobicContact CE2-CZ 3.53Å; F123-F212 AromaticContact CZ-CE2 3.94Å; F123-F212 HydrophobicContact CZ-CE2 3.94Å; F123-F212 HydrophobicContact CZ-CZ 4.2Å
124V95.8Very high93.4Very high12 Ų1250.5 Ų50.57%0.07324%0.244CC..EExtended strand (participates in β ladder)trans-129125.6-177.3-176.60000108.8A91 A93 L113 V126A91-V124 HydrophobicContact CB-CB 4.46Å; A91-V124 PolarHBondContact N-O 3.05Å; A91-V124 PolarHBondContact O-N 3.03Å; A93-V124 HydrophobicContact CB-CG2 4.21Å; L113-V124 HydrophobicContact CD2-CG1 4.26Å; L113-V124 HydrophobicContact CD2-CG2 3.89Å; V124-V126 PolarHBondContact O-N 3.39Å
125K94.9Very high93.2Very high85 Ų8550.1 Ų50.137%0.3724%0.244SC..EExtended strand (participates in β ladder)trans-69.8125.9170.5174.5164.6-170.8167.50109.4N127 S130 V198 F202K125-N127 PolarHBondContact O-N 3.29Å; K125-S130 WeakPolarHBondContact O-CB 3.46Å; K125-S130 PolarHBondContact O-OG 2.87Å; K125-V198 HydrophobicContact CB-CG1 4.09Å; K125-V198 HydrophobicContact CD-CG1 3.47Å; K125-V198 VanDerWaalsContact CD-CG1 3.47Å; K125-V198 HydrophobicContact CG-CG1 3.6Å; K125-F202 HydrophobicContact CB-CD1 3.82Å; K125-F202 HydrophobicContact CB-CE1 3.57Å; K125-F202 HydrophobicContact CB-CZ 4.24Å; K125-F202 HydrophobicContact CD-CD1 4.35Å
126V93.4Very high93Very high18 Ų1852.5 Ų52.511%0.10926%0.255CS..  trans-73.9116.2178.5176.80000108.6M83 P84 R89 A91 V124 M131 F145M83-V126 HydrophobicContact CE-CG1 4.14Å; P84-V126 HydrophobicContact CG-CG1 3.63Å; R89-V126 WeakPolarHBondContact O-CB 3.34Å; R89-V126 WeakPolarHBondContact O-CG2 3.35Å; R89-V126 PolarHBondContact O-N 3.28Å; A91-V126 HydrophobicContact CB-CG2 3.79Å; V124-V126 PolarHBondContact O-N 3.39Å; V126-M131 HydrophobicContact CG1-CG 3.99Å; V126-M131 HydrophobicContact CG1-SD 4Å; V126-F145 HydrophobicContact CG2-CE1 4.19Å
127N91.8Very high93.1Very high66 Ų6643.5 Ų43.535%0.35322%0.221SC..  trans-145.9170.817066.831.2000107.8K125 T129 S130 M131K125-N127 PolarHBondContact O-N 3.29Å; N127-T129 PolarHBondContact O-N 2.88Å; N127-T129 WeakPolarHBondContact OD1-CA 3.34Å; N127-T129 WeakPolarHBondContact OD1-CB 3.29Å; N127-T129 PolarHBondContact OD1-N 3.25Å; N127-T129 VanDerWaalsContact OD1-N 3.09Å; N127-S130 PolarHBondContact ND2-OG 3.24Å; N127-S130 PolarHBondContact O-N 2.94Å; N127-S130 VanDerWaalsContact OD1-CB 3.24Å; N127-S130 WeakPolarHBondContact OD1-CB 3.44Å; N127-S130 PolarHBondContact OD1-N 3.32Å; N127-S130 PolarHBondContact OD1-OG 3.26Å; N127-M131 WeakPolarHBondContact O-CB 3.25Å; N127-M131 VanDerWaalsContact O-CG 3.29Å; N127-M131 WeakPolarHBondContact O-CG 3.3Å; N127-M131 PolarHBondContact O-N 3.16Å
128K89.5Confident93.1Very high161 Ų16140.5 Ų40.570%0.721%0.21SC*.Hα-helixtrans-52.8-42.2-179.1-122.4177.7-178.9176.60112.2M83 A132M83-K128 HydrophobicContact SD-CG 4.37Å; K128-A132 PolarHBondContact O-N 2.74Å
129T91.2Very high93.1Very high89 Ų8938.8 Ų38.855%0.54620%0.203SC..Hα-helixtrans-70.4-46.8-178.2-49.50000113N127 M131 A132 M133N127-T129 PolarHBondContact O-N 2.88Å; N127-T129 WeakPolarHBondContact OD1-CA 3.34Å; N127-T129 WeakPolarHBondContact OD1-CB 3.29Å; N127-T129 PolarHBondContact OD1-N 3.25Å; N127-T129 VanDerWaalsContact OD1-N 3.09Å; T129-M131 VanDerWaalsContact C-N 3.31Å; T129-M131 PolarHBondContact O-N 3.4Å; T129-A132 WeakPolarHBondContact O-CB 3.22Å; T129-A132 PolarHBondContact O-N 3.42Å; T129-M133 HydrophobicContact CG2-CE 3.96Å; T129-M133 WeakPolarHBondContact O-CG 3.44Å; T129-M133 PolarHBondContact O-N 2.97Å
130S93.1Very high93.1Very high16 Ų1638.8 Ų38.811%0.11220%0.202CC..Hα-helixtrans-61.6-40.3176.2-65.30000110.3K125 N127 M133 L134K125-S130 WeakPolarHBondContact O-CB 3.46Å; K125-S130 PolarHBondContact O-OG 2.87Å; N127-S130 PolarHBondContact ND2-OG 3.24Å; N127-S130 PolarHBondContact O-N 2.94Å; N127-S130 VanDerWaalsContact OD1-CB 3.24Å; N127-S130 WeakPolarHBondContact OD1-CB 3.44Å; N127-S130 PolarHBondContact OD1-N 3.32Å; N127-S130 PolarHBondContact OD1-OG 3.26Å; S130-M133 WeakPolarHBondContact O-CB 3.41Å; S130-M133 PolarHBondContact O-N 3.18Å; S130-L134 WeakPolarHBondContact O-CB 3.48Å; S130-L134 VanDerWaalsContact O-CG 3.24Å; S130-L134 WeakPolarHBondContact O-CG 3.27Å; S130-L134 PolarHBondContact O-N 3.48Å
131M91.4Very high93.1Very high11 Ų1138.4 Ų38.45%0.05420%0.2CC..Hα-helixtrans-64.6-42.5174.8-72.4-63.1-66.900111.5M83 V126 N127 T129 M133 L134 K135 W143M83-M131 HydrophobicContact SD-CG 4.35Å; V126-M131 HydrophobicContact CG1-CG 3.99Å; V126-M131 HydrophobicContact CG1-SD 4Å; N127-M131 WeakPolarHBondContact O-CB 3.25Å; N127-M131 VanDerWaalsContact O-CG 3.29Å; N127-M131 WeakPolarHBondContact O-CG 3.3Å; N127-M131 PolarHBondContact O-N 3.16Å; T129-M131 VanDerWaalsContact C-N 3.31Å; T129-M131 PolarHBondContact O-N 3.4Å; M131-M133 VanDerWaalsContact C-N 3.34Å; M131-M133 PolarHBondContact O-N 2.73Å; M131-L134 PolarHBondContact O-N 2.79Å; M131-L134 HydrophobicContact SD-CD1 4.43Å; M131-K135 WeakPolarHBondContact O-CB 3.49Å; M131-K135 PolarHBondContact O-N 2.94Å; M131-W143 HydrophobicContact CE-CH2 3.6Å; M131-W143 HydrophobicContact CE-CZ2 4.35Å; M131-W143 HydrophobicContact CE-CZ3 4.23Å; M131-W143 HydrophobicContact SD-CH2 4.07Å; M131-W143 HydrophobicContact SD-CZ3 4.19Å
132A91.3Very high93.1Very high53 Ų5338.4 Ų38.444%0.43820%0.2SC..Hα-helixtrans-62.7-40.9173.400000112.1K128 T129 K135 M136K128-A132 PolarHBondContact O-N 2.74Å; T129-A132 WeakPolarHBondContact O-CB 3.22Å; T129-A132 PolarHBondContact O-N 3.42Å; A132-K135 PolarHBondContact O-N 2.84Å; A132-M136 PolarHBondContact O-N 3.38Å
133M93.8Very high93Very high48 Ų4839.2 Ų39.224%0.23620%0.202CC..Hα-helixtrans-61.3-47.3173.7-74.5-176.2-17400111.7V109 M112 T129 S130 M131 M136 V137V109-M133 HydrophobicContact CG1-CB 3.62Å; V109-M133 HydrophobicContact CG1-CG 3.88Å; V109-M133 HydrophobicContact CG1-SD 4.43Å; M112-M133 HydrophobicContact CE-CE 3.64Å; M112-M133 HydrophobicContact CE-SD 4.1Å; M112-M133 HydrophobicContact SD-CE 4.07Å; T129-M133 HydrophobicContact CG2-CE 3.96Å; T129-M133 WeakPolarHBondContact O-CG 3.44Å; T129-M133 PolarHBondContact O-N 2.97Å; S130-M133 WeakPolarHBondContact O-CB 3.41Å; S130-M133 PolarHBondContact O-N 3.18Å; M131-M133 VanDerWaalsContact C-N 3.34Å; M131-M133 PolarHBondContact O-N 2.73Å; M133-M136 WeakPolarHBondContact O-CB 3.43Å; M133-M136 PolarHBondContact O-N 3.08Å; M133-M136 VanDerWaalsContact O-N 3.15Å; M133-V137 WeakPolarHBondContact O-CG2 3.14Å; M133-V137 PolarHBondContact O-N 3.19Å; M133-V137 VanDerWaalsContact O-N 3.12Å
134L93.6Very high92.9Very high1 Ų138.8 Ų38.81%0.00520%0.2CC..Hα-helixtrans-62.5-42.4178.5-73.2171.5000111.9A91 A93 L113 S130 M131 M136 V137 E138 W143A91-L134 HydrophobicContact CB-CD1 4.32Å; A93-L134 HydrophobicContact CB-CD2 3.99Å; L113-L134 HydrophobicContact CD1-CD2 4.18Å; S130-L134 WeakPolarHBondContact O-CB 3.48Å; S130-L134 VanDerWaalsContact O-CG 3.24Å; S130-L134 WeakPolarHBondContact O-CG 3.27Å; S130-L134 PolarHBondContact O-N 3.48Å; M131-L134 PolarHBondContact O-N 2.79Å; M131-L134 HydrophobicContact SD-CD1 4.43Å; L134-M136 VanDerWaalsContact C-N 3.29Å; L134-M136 PolarHBondContact O-N 3.39Å; L134-V137 CarbonylContact O-C 3.59Å; L134-V137 WeakPolarHBondContact O-CG2 3.02Å; L134-V137 PolarHBondContact O-N 3.16Å; L134-E138 PolarHBondContact O-N 3.09Å; L134-W143 HydrophobicContact CB-CD2 4.23Å; L134-W143 HydrophobicContact CB-CG 4.37Å; L134-W143 HydrophobicContact CB-CZ2 4.39Å; L134-W143 HydrophobicContact CD1-CD2 3.95Å; L134-W143 HydrophobicContact CD1-CE3 4Å; L134-W143 HydrophobicContact CD1-CG 4.28Å; L134-W143 HydrophobicContact CD2-CB 4.08Å; L134-W143 HydrophobicContact CD2-CD2 4.42Å; L134-W143 HydrophobicContact CD2-CG 3.91Å; L134-W143 HydrophobicContact CG-CD2 4.43Å; L134-W143 HydrophobicContact CG-CG 4.41Å
135K90.8Very high92.8Very high50 Ų5039.4 Ų39.422%0.21720%0.202CC..Hα-helixtrans-62.4-35.4173.2-168.8175.4-175.3179.60112.1P81 M131 A132 E138P81-K135 HydrophobicContact CG-CD 4.22Å; M131-K135 WeakPolarHBondContact O-CB 3.49Å; M131-K135 PolarHBondContact O-N 2.94Å; A132-K135 PolarHBondContact O-N 2.84Å; K135-E138 WeakPolarHBondContact O-CB 3.1Å
136M91.9Very high92.9Very high50 Ų5036 Ų3625%0.24619%0.188CC..Hα-helixtrans-66.6-38.7176-171.1178.3-62.800112.1R71 I72 R105 V106 V109 A132 M133 L134R71-M136 VanDerWaalsContact CZ-O 3.29Å; R71-M136 PolarHBondContact NH1-O 2.78Å; R71-M136 PolarHBondContact NH2-O 3.13Å; I72-M136 HydrophobicContact CD1-CG 4.15Å; I72-M136 HydrophobicContact CD1-SD 4.18Å; I72-M136 HydrophobicContact CG1-CG 4.14Å; I72-M136 HydrophobicContact CG2-CE 4.28Å; R105-M136 HydrophobicContact CB-SD 4.43Å; V106-M136 HydrophobicContact CG2-CG 4.26Å; V109-M136 HydrophobicContact CG2-SD 3.71Å; A132-M136 PolarHBondContact O-N 3.38Å; M133-M136 WeakPolarHBondContact O-CB 3.43Å; M133-M136 PolarHBondContact O-N 3.08Å; M133-M136 VanDerWaalsContact O-N 3.15Å; L134-M136 VanDerWaalsContact C-N 3.29Å; L134-M136 PolarHBondContact O-N 3.39Å
137V93.6Very high93Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-94.61.8-177.5-56.90000114.3V106 V109 I110 L113 M133 L134 P139 Y140 V141V106-V137 HydrophobicContact CG1-CG1 4.25Å; V109-V137 HydrophobicContact CB-CG1 3.86Å; V109-V137 HydrophobicContact CG1-CG1 3.51Å; I110-V137 HydrophobicContact CD1-CG1 4.32Å; I110-V137 HydrophobicContact CG1-CB 4.14Å; I110-V137 HydrophobicContact CG1-CG1 3.57Å; L113-V137 HydrophobicContact CD1-CG2 3.88Å; M133-V137 WeakPolarHBondContact O-CG2 3.14Å; M133-V137 PolarHBondContact O-N 3.19Å; M133-V137 VanDerWaalsContact O-N 3.12Å; L134-V137 CarbonylContact O-C 3.59Å; L134-V137 WeakPolarHBondContact O-CG2 3.02Å; L134-V137 PolarHBondContact O-N 3.16Å; V137-P139 VanDerWaalsContact C-N 3.29Å; V137-P139 WeakPolarHBondContact O-CD 3.35Å; V137-P139 VanDerWaalsContact O-N 3.12Å; V137-Y140 PolarHBondContact O-N 3.44Å; V137-V141 HydrophobicContact CB-CG2 4.11Å; V137-V141 HydrophobicContact CG2-CB 4.01Å; V137-V141 HydrophobicContact CG2-CG1 4.49Å; V137-V141 HydrophobicContact CG2-CG2 3.9Å; V137-V141 PolarHBondContact O-N 2.7Å; V137-V141 VanDerWaalsContact O-N 3.13Å
138E91.8Very high93.1Very high69 Ų6937.8 Ų37.832%0.32220%0.197SC..THydrogen-bonded Turntrans-44.3-41.4-179.1-163.4-177.9159.600114.7L134 K135 Y140 P234 G235 P236L134-E138 PolarHBondContact O-N 3.09Å; K135-E138 WeakPolarHBondContact O-CB 3.1Å; E138-Y140 PolarHBondContact O-N 3.05Å; E138-P234 WeakPolarHBondContact O-CB 3.29Å; E138-G235 PolarHBondContact O-N 2.94Å; E138-P236 WeakPolarHBondContact OE1-CD 3.43Å
139P91.4Very high93.4Very high36 Ų3635.9 Ų35.923%0.23419%0.189CC..THydrogen-bonded Turntrans-66.2-13.5179.8-20.533.7000114.9R97 V137 P234R97-P139 WeakPolarHBondContact CD-O 3.25Å; R97-P139 PolarHBondContact NH1-O 3.35Å; V137-P139 VanDerWaalsContact C-N 3.29Å; V137-P139 WeakPolarHBondContact O-CD 3.35Å; V137-P139 VanDerWaalsContact O-N 3.12Å; P139-P234 WeakPolarHBondContact O-CG 3.46Å
140Y92.1Very high93.6Very high29 Ų2931.7 Ų31.711%0.11416%0.163CC..THydrogen-bonded Turntrans-118.9-22.4-172.6-54.3-76.1000113.6D68 I96 R97 I99 V102 V106 V137 E138D68-Y140 PolarHBondContact OD2-OH 3.35Å; I96-Y140 PolarHBondContact N-O 2.8Å; I96-Y140 VanDerWaalsContact N-O 3.09Å; R97-Y140 HydrophobicContact CB-CD1 4.32Å; R97-Y140 PolarHBondContact N-O 3.17Å; R97-Y140 VanDerWaalsContact N-O 3.16Å; I99-Y140 HydrophobicContact CG2-CD1 4.08Å; I99-Y140 HydrophobicContact CG2-CG 4.18Å; V102-Y140 HydrophobicContact CG1-CD1 4.43Å; V102-Y140 HydrophobicContact CG1-CE1 3.6Å; V102-Y140 HydrophobicContact CG1-CE2 4.05Å; V102-Y140 VanDerWaalsContact CG1-OH 3.28Å; V102-Y140 WeakPolarHBondContact CG1-OH 3.49Å; V106-Y140 HydrophobicContact CG1-CD2 3.88Å; V106-Y140 HydrophobicContact CG1-CE2 3.77Å; V137-Y140 PolarHBondContact O-N 3.44Å; E138-Y140 PolarHBondContact O-N 3.05Å
141V94.6Very high93.7Very high0 Ų030.9 Ų30.90%016%0.158CC..EExtended strand (participates in β ladder)trans-123.8129.6-170.11750000108.8A93 V94 R95 L115 V137 G235A93-V141 HydrophobicContact CB-CG1 3.88Å; V94-V141 CarbonylContact O-C 3.4Å; V94-V141 WeakPolarHBondContact O-CA 3.49Å; V94-V141 WeakPolarHBondContact O-CG1 3.46Å; R95-V141 HydrophobicContact CB-CG2 4.39Å; L115-V141 HydrophobicContact CD1-CG1 3.93Å; L115-V141 HydrophobicContact CD1-CG2 3.84Å; V137-V141 HydrophobicContact CB-CG2 4.11Å; V137-V141 HydrophobicContact CG2-CB 4.01Å; V137-V141 HydrophobicContact CG2-CG1 4.49Å; V137-V141 HydrophobicContact CG2-CG2 3.9Å; V137-V141 PolarHBondContact O-N 2.7Å; V137-V141 VanDerWaalsContact O-N 3.13Å; V141-G235 PolarHBondContact O-N 3.28Å
142A94.4Very high94Very high0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-88.7138.7160.600000109.1V94 I96 G235 R237 I241 I244V94-A142 PolarHBondContact N-O 3.3Å; V94-A142 PolarHBondContact O-N 2.66Å; I96-A142 HydrophobicContact CD1-CB 3.2Å; I96-A142 HydrophobicContact CG1-CB 4.31Å; A142-G235 VanDerWaalsContact CA-O 3.32Å; A142-G235 WeakPolarHBondContact CA-O 3.49Å; A142-R237 HydrophobicContact CB-CG 4.12Å; A142-I241 HydrophobicContact CB-CD1 4.4Å; A142-I244 HydrophobicContact CB-CD1 4.43Å
143W95.3Very high94.2Very high20 Ų2033.7 Ų33.78%0.07616%0.158CC..EExtended strand (participates in β ladder)trans-143.3154.4176.662.4-88.1000110.7F92 A93 M131 L134 F145 G235 P236 R237F92-W143 WeakPolarHBondContact O-CA 3.3Å; F92-W143 WeakPolarHBondContact O-CB 3.34Å; A93-W143 HydrophobicContact CB-CB 4.04Å; M131-W143 HydrophobicContact CE-CH2 3.6Å; M131-W143 HydrophobicContact CE-CZ2 4.35Å; M131-W143 HydrophobicContact CE-CZ3 4.23Å; M131-W143 HydrophobicContact SD-CH2 4.07Å; M131-W143 HydrophobicContact SD-CZ3 4.19Å; L134-W143 HydrophobicContact CB-CD2 4.23Å; L134-W143 HydrophobicContact CB-CG 4.37Å; L134-W143 HydrophobicContact CB-CZ2 4.39Å; L134-W143 HydrophobicContact CD1-CD2 3.95Å; L134-W143 HydrophobicContact CD1-CE3 4Å; L134-W143 HydrophobicContact CD1-CG 4.28Å; L134-W143 HydrophobicContact CD2-CB 4.08Å; L134-W143 HydrophobicContact CD2-CD2 4.42Å; L134-W143 HydrophobicContact CD2-CG 3.91Å; L134-W143 HydrophobicContact CG-CD2 4.43Å; L134-W143 HydrophobicContact CG-CG 4.41Å; W143-F145 HydrophobicContact CZ3-CE1 4.5Å; W143-F145 HydrophobicContact CZ3-CZ 4.18Å; W143-G235 PolarHBondContact N-O 2.86Å; W143-G235 VanDerWaalsContact N-O 3.07Å; W143-P236 HydrophobicContact CH2-CB 4.01Å; W143-P236 HydrophobicContact CZ2-CB 3.65Å; W143-P236 WeakPolarHBondContact O-CA 3.41Å; W143-R237 PolarHBondContact O-N 3.28Å
144G94.9Very high94.2Very high0 Ų031.4 Ų31.40%015%0.147CC..EExtended strand (participates in β ladder)trans-171.7-166.8178.900000111.6A91 F92 P146 G238A91-G144 CarbonylContact C-O 3.49Å; A91-G144 VanDerWaalsContact CA-O 3.25Å; A91-G144 WeakPolarHBondContact CA-O 3.42Å; F92-G144 PolarHBondContact N-O 3.17Å; F92-G144 PolarHBondContact O-N 3.04Å; G144-P146 WeakPolarHBondContact O-CD 3.08Å; G144-G238 CarbonylContact C-O 3.33Å; G144-G238 VanDerWaalsContact CA-O 3.26Å; G144-G238 WeakPolarHBondContact CA-O 3.41Å
145F95.1Very high94.3Very high26 Ų2631.4 Ų31.411%0.11415%0.147CC..  trans-101.3109.7-175.1-50.7-62.6000110.1P84 N88 L90 V126 W143 G238 I241 N242P84-F145 HydrophobicContact CB-CE1 4.06Å; P84-F145 HydrophobicContact CB-CE2 4.13Å; P84-F145 HydrophobicContact CB-CZ 3.42Å; P84-F145 VanDerWaalsContact CB-CZ 3.42Å; P84-F145 HydrophobicContact CG-CE1 4.08Å; P84-F145 HydrophobicContact CG-CZ 3.84Å; N88-F145 HydrophobicContact CB-CD1 3.54Å; N88-F145 HydrophobicContact CB-CD2 4.1Å; N88-F145 HydrophobicContact CB-CE1 3.68Å; N88-F145 HydrophobicContact CB-CE2 4.22Å; N88-F145 HydrophobicContact CB-CG 3.77Å; N88-F145 HydrophobicContact CB-CZ 4.02Å; N88-F145 WeakPolarHBondContact ND2-CD2 3.49Å; L90-F145 WeakPolarHBondContact O-CD1 3.49Å; V126-F145 HydrophobicContact CG2-CE1 4.19Å; W143-F145 HydrophobicContact CZ3-CE1 4.5Å; W143-F145 HydrophobicContact CZ3-CZ 4.18Å; F145-G238 PolarHBondContact N-O 3.5Å; F145-I241 WeakPolarHBondContact O-CG2 3.49Å; F145-N242 PolarHBondContact O-ND2 3.35Å; F145-N242 VanDerWaalsContact O-ND2 3.13Å
146P95.8Very high94.5Very high12 Ų1233.8 Ų33.88%0.07816%0.161CC..  trans-74.4147.1179.933.9-36.3000110.6L90 F92 F123 G144 V151 N242 I245L90-P146 HydrophobicContact CD2-CG 3.78Å; L90-P146 HydrophobicContact CG-CG 4.05Å; L90-P146 WeakPolarHBondContact O-CD 3.47Å; F92-P146 HydrophobicContact CB-CB 4.18Å; F92-P146 HydrophobicContact CB-CG 4.01Å; F123-P146 HydrophobicContact CE1-CG 4.43Å; G144-P146 WeakPolarHBondContact O-CD 3.08Å; P146-V151 HydrophobicContact CB-CG2 3.86Å; P146-V151 HydrophobicContact CG-CG2 3.85Å; P146-N242 WeakPolarHBondContact CA-OD1 3.47Å; P146-I245 HydrophobicContact CB-CD1 4.16Å
147N95Very high94.6Very high51 Ų5138.1 Ų38.127%0.27318%0.179SC..  trans-84.1163.5168.365.236.7000110.9K149 S150 V151 N242N147-K149 PolarHBondContact O-N 2.84Å; N147-K149 WeakPolarHBondContact OD1-CB 3.49Å; N147-K149 PolarHBondContact OD1-N 2.91Å; N147-S150 PolarHBondContact O-N 3.47Å; N147-S150 VanDerWaalsContact O-N 3.15Å; N147-S150 VanDerWaalsContact OD1-CB 3.29Å; N147-S150 WeakPolarHBondContact OD1-CB 3.34Å; N147-S150 PolarHBondContact OD1-N 2.9Å; N147-S150 PolarHBondContact OD1-OG 2.79Å; N147-V151 WeakPolarHBondContact O-CG2 3.16Å; N147-V151 PolarHBondContact O-N 2.8Å; N147-N242 PolarHBondContact N-OD1 2.97Å; N147-N242 PolarHBondContact ND2-OD1 3.41Å
148L94.8Very high94.6Very high71 Ų7141.1 Ų41.137%0.37219%0.19SC..Hα-helixtrans-56.1-38.3-179.8-179.361000112.3V151 R152 I192 Y196L148-V151 PolarHBondContact O-N 3.12Å; L148-R152 VanDerWaalsContact O-CB 3.27Å; L148-R152 WeakPolarHBondContact O-CB 3.44Å; L148-R152 PolarHBondContact O-N 3.21Å; L148-I192 HydrophobicContact CD1-CG2 3.95Å; L148-Y196 HydrophobicContact CB-CD2 4.3Å; L148-Y196 HydrophobicContact CB-CE1 4.36Å; L148-Y196 HydrophobicContact CB-CE2 4.04Å; L148-Y196 HydrophobicContact CD1-CD1 4.01Å; L148-Y196 HydrophobicContact CD1-CD2 4.24Å; L148-Y196 HydrophobicContact CD1-CG 3.84Å
149K95.6Very high94.7Very high122 Ų12238.2 Ų38.253%0.5318%0.179SC..Hα-helixtrans-60.9-47.5177.3-179.3172.5178172.70112N147 R152 E153N147-K149 PolarHBondContact O-N 2.84Å; N147-K149 WeakPolarHBondContact OD1-CB 3.49Å; N147-K149 PolarHBondContact OD1-N 2.91Å; K149-R152 PolarHBondContact O-N 2.95Å; K149-E153 WeakPolarHBondContact CE-OE1 3.29Å; K149-E153 HydrophobicContact CG-CG 4.43Å; K149-E153 WeakPolarHBondContact CG-OE1 3.48Å; K149-E153 WeakPolarHBondContact O-CB 3.45Å; K149-E153 VanDerWaalsContact O-CG 3.3Å; K149-E153 WeakPolarHBondContact O-CG 3.12Å; K149-E153 PolarHBondContact O-N 2.97Å
150S95.4Very high94.9Very high0 Ų039.5 Ų39.50%018%0.182CC..Hα-helixtrans-64.6-40.8178.5-64.60000111.4N147 L154 N242N147-S150 PolarHBondContact O-N 3.47Å; N147-S150 VanDerWaalsContact O-N 3.15Å; N147-S150 VanDerWaalsContact OD1-CB 3.29Å; N147-S150 WeakPolarHBondContact OD1-CB 3.34Å; N147-S150 PolarHBondContact OD1-N 2.9Å; N147-S150 PolarHBondContact OD1-OG 2.79Å; S150-L154 WeakPolarHBondContact O-CB 3.46Å; S150-L154 VanDerWaalsContact O-CG 3.25Å; S150-L154 WeakPolarHBondContact O-CG 3.41Å; S150-L154 PolarHBondContact O-N 3.45Å; S150-N242 WeakPolarHBondContact CB-OD1 3.5Å; S150-N242 PolarHBondContact OG-OD1 3.48Å
151V96.1Very high95.1Very high0 Ų038.1 Ų38.10%018%0.176CC..Hα-helixtrans-62.7-49.7175.8176.30000110.3L90 F123 P146 N147 L148 L154 I155 I192 I195 Y196L90-V151 HydrophobicContact CD2-CG2 4.05Å; F123-V151 HydrophobicContact CE1-CG1 4.4Å; F123-V151 HydrophobicContact CE1-CG2 3.94Å; F123-V151 HydrophobicContact CE2-CG1 4.44Å; F123-V151 HydrophobicContact CZ-CB 4.32Å; F123-V151 HydrophobicContact CZ-CG1 3.91Å; F123-V151 HydrophobicContact CZ-CG2 4.19Å; P146-V151 HydrophobicContact CB-CG2 3.86Å; P146-V151 HydrophobicContact CG-CG2 3.85Å; N147-V151 WeakPolarHBondContact O-CG2 3.16Å; N147-V151 PolarHBondContact O-N 2.8Å; L148-V151 PolarHBondContact O-N 3.12Å; V151-L154 PolarHBondContact O-N 2.79Å; V151-I155 HydrophobicContact CG1-CD1 3.78Å; V151-I155 WeakPolarHBondContact O-CG1 3.38Å; V151-I155 PolarHBondContact O-N 3.02Å; V151-I155 VanDerWaalsContact O-N 3.07Å; V151-I192 HydrophobicContact CG1-CG2 4.26Å; V151-I195 HydrophobicContact CG1-CG2 4.02Å; V151-Y196 HydrophobicContact CG2-CD2 4.25Å
152R96.2Very high95Very high80 Ų8043.2 Ų43.230%0.30220%0.198SC..Hα-helixtrans-56.5-52.3177176.7-175.5-61.5-74.4-3.7111.5L148 K149 L154 I155 L156 E189 I192L148-R152 VanDerWaalsContact O-CB 3.27Å; L148-R152 WeakPolarHBondContact O-CB 3.44Å; L148-R152 PolarHBondContact O-N 3.21Å; K149-R152 PolarHBondContact O-N 2.95Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.49Å; R152-I155 PolarHBondContact O-N 3.42Å; R152-L156 HydrophobicContact CG-CD1 3.59Å; R152-L156 HydrophobicContact CG-CG 4.36Å; R152-L156 WeakPolarHBondContact O-CB 3.46Å; R152-L156 VanDerWaalsContact O-CG 3.3Å; R152-L156 WeakPolarHBondContact O-CG 3.39Å; R152-L156 PolarHBondContact O-N 2.87Å; R152-E189 IonicContact CZ-OE1 2.73Å; R152-E189 IonicContact CZ-OE2 3.38Å; R152-E189 IonicContact NH1-OE1 3.29Å; R152-E189 PolarHBondContact NH1-OE1 2.82Å; R152-E189 IonicContact NH1-OE2 3.27Å; R152-E189 PolarHBondContact NH1-OE2 2.85Å; R152-E189 IonicContact NH2-OE1 3.79Å; R152-E189 PolarHBondContact NH2-OE1 3.07Å; R152-E189 IonicContact NH2-OE2 2.66Å; R152-I192 HydrophobicContact CB-CD1 4.27Å; R152-I192 HydrophobicContact CB-CG2 4.49Å; R152-I192 HydrophobicContact CG-CD1 4.07Å
153E95.3Very high95Very high42 Ų4244.1 Ų44.120%0.19620%0.203CC..Hα-helixtrans-62.7-37.6-179.1-74.5176.2-172.900112.8K149 K157 N249K149-E153 WeakPolarHBondContact CE-OE1 3.29Å; K149-E153 HydrophobicContact CG-CG 4.43Å; K149-E153 WeakPolarHBondContact CG-OE1 3.48Å; K149-E153 WeakPolarHBondContact O-CB 3.45Å; K149-E153 VanDerWaalsContact O-CG 3.3Å; K149-E153 WeakPolarHBondContact O-CG 3.12Å; K149-E153 PolarHBondContact O-N 2.97Å; E153-K157 VanDerWaalsContact O-CB 3.26Å; E153-K157 WeakPolarHBondContact O-CB 3.29Å; E153-K157 WeakPolarHBondContact O-CG 3.41Å; E153-K157 PolarHBondContact O-N 3.07Å; E153-N249 PolarHBondContact O-ND2 3.22Å
154L95.5Very high94.8Very high0 Ų049.7 Ų49.70%023%0.234CC..Hα-helixtrans-65.3-46177-81.5170.3000111.7F92 F123 S150 V151 R152 R158 G159 F212 L214 I245F92-L154 HydrophobicContact CD2-CD1 4.18Å; F92-L154 HydrophobicContact CE1-CD1 4.01Å; F92-L154 HydrophobicContact CE2-CD1 3.65Å; F92-L154 HydrophobicContact CZ-CD1 3.54Å; F92-L154 HydrophobicContact CZ-CD2 4.28Å; F123-L154 HydrophobicContact CE1-CD1 4.34Å; F123-L154 HydrophobicContact CZ-CD1 4.08Å; S150-L154 WeakPolarHBondContact O-CB 3.46Å; S150-L154 VanDerWaalsContact O-CG 3.25Å; S150-L154 WeakPolarHBondContact O-CG 3.41Å; S150-L154 PolarHBondContact O-N 3.45Å; V151-L154 PolarHBondContact O-N 2.79Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.49Å; L154-R158 CarbonylContact O-C 3.5Å; L154-R158 WeakPolarHBondContact O-CA 3.47Å; L154-R158 WeakPolarHBondContact O-CB 3.41Å; L154-R158 PolarHBondContact O-N 2.83Å; L154-G159 PolarHBondContact O-N 3.28Å; L154-F212 HydrophobicContact CB-CD1 4.4Å; L154-F212 HydrophobicContact CB-CE1 4.11Å; L154-F212 HydrophobicContact CB-CZ 4.31Å; L154-F212 VanDerWaalsContact O-CE1 3.32Å; L154-F212 WeakPolarHBondContact O-CE1 3.4Å; L154-L214 HydrophobicContact CD2-CD2 3.61Å; L154-I245 HydrophobicContact CD1-CD1 4.18Å; L154-I245 HydrophobicContact CD1-CG1 4.36Å; L154-I245 HydrophobicContact CD1-CG2 3.76Å; L154-I245 HydrophobicContact CD2-CG2 3.99Å; L154-I245 HydrophobicContact CG-CG2 3.73Å
155I95.3Very high94.5Very high1 Ų158.5 Ų58.51%0.00527%0.273CS..Hα-helixtrans-69.1-44-178.8-66.2168.8000110.1F123 V151 R152 G159 L170 L188 L191 I192 I195 I209 F212F123-I155 HydrophobicContact CE2-CD1 4.17Å; F123-I155 HydrophobicContact CE2-CG1 4.17Å; V151-I155 HydrophobicContact CG1-CD1 3.78Å; V151-I155 WeakPolarHBondContact O-CG1 3.38Å; V151-I155 PolarHBondContact O-N 3.02Å; V151-I155 VanDerWaalsContact O-N 3.07Å; R152-I155 PolarHBondContact O-N 3.42Å; I155-G159 WeakPolarHBondContact O-CA 3.45Å; I155-G159 PolarHBondContact O-N 3.04Å; I155-L170 HydrophobicContact CG2-CD1 4.3Å; I155-L188 HydrophobicContact CG2-CD2 3.67Å; I155-L188 HydrophobicContact CG2-CG 4.26Å; I155-L191 HydrophobicContact CG2-CD2 3.92Å; I155-I192 HydrophobicContact CB-CG1 4.2Å; I155-I192 HydrophobicContact CD1-CB 4.43Å; I155-I192 HydrophobicContact CD1-CG1 3.73Å; I155-I192 HydrophobicContact CG2-CG1 4.16Å; I155-I195 HydrophobicContact CD1-CD1 3.55Å; I155-I209 HydrophobicContact CD1-CD1 4.47Å; I155-I209 HydrophobicContact CG1-CD1 4.49Å; I155-F212 HydrophobicContact CG1-CE1 4.43Å; I155-F212 HydrophobicContact CG1-CZ 4.01Å
156L94.4Very high94.4Very high100 Ų10066.4 Ų66.452%0.52430%0.302SS..Hα-helixtrans-67.2-45.8179.9-70.4173.3000112.8R152 L188R152-L156 HydrophobicContact CG-CD1 3.59Å; R152-L156 HydrophobicContact CG-CG 4.36Å; R152-L156 WeakPolarHBondContact O-CB 3.46Å; R152-L156 VanDerWaalsContact O-CG 3.3Å; R152-L156 WeakPolarHBondContact O-CG 3.39Å; R152-L156 PolarHBondContact O-N 2.87Å; L156-L188 HydrophobicContact CD2-CD1 3.85Å; L156-L188 HydrophobicContact CD2-CD2 3.56Å; L156-L188 HydrophobicContact CD2-CG 4.36Å; L156-L188 HydrophobicContact CG-CD2 4.23Å
157K93.6Very high94.3Very high141 Ų14171 Ų7161%0.61332%0.317SS*.Hα-helixtrans-84-33.2-174.7-64.8-176.5-179.4176.80113.5E153E153-K157 VanDerWaalsContact O-CB 3.26Å; E153-K157 WeakPolarHBondContact O-CB 3.29Å; E153-K157 WeakPolarHBondContact O-CG 3.41Å; E153-K157 PolarHBondContact O-N 3.07Å
158R93.9Very high94.2Very high63 Ų6371 Ų7124%0.23832%0.319CS..Hα-helixtrans-130.34.3-168.6-62-175.6178.3-90.9-7.2113.4L154 Q160 F212 K213 N249L154-R158 CarbonylContact O-C 3.5Å; L154-R158 WeakPolarHBondContact O-CA 3.47Å; L154-R158 WeakPolarHBondContact O-CB 3.41Å; L154-R158 PolarHBondContact O-N 2.83Å; R158-Q160 PolarHBondContact O-N 2.8Å; R158-F212 HydrophobicContact CB-CD1 3.92Å; R158-K213 PolarHBondContact NH1-O 3.31Å; R158-N249 WeakPolarHBondContact CD-OD1 3.32Å; R158-N249 WeakPolarHBondContact CG-OD1 3.41Å; R158-N249 PolarHBondContact NE-OD1 3.42Å; R158-N249 VanDerWaalsContact NE-OD1 3.08Å; R158-N249 PolarHBondContact NE-OXT 3.33Å; R158-N249 PolarHBondContact NH2-OXT 3.25Å
159G94.3Very high94.2Very high8 Ų869.9 Ų69.98%0.08232%0.32CS..  trans-65.1125.2178.200000111.6L154 I155 L170L154-G159 PolarHBondContact O-N 3.28Å; I155-G159 WeakPolarHBondContact O-CA 3.45Å; I155-G159 PolarHBondContact O-N 3.04Å; G159-L170 PolarHBondContact O-N 3.3Å
160Q95.4Very high94.1Very high64 Ų6464.9 Ų64.930%0.29930%0.299SS..EExtended strand (participates in β ladder)trans-131.8133.9173.6-63.2-175.4-33.600108.1R158 V168 W210R158-Q160 PolarHBondContact O-N 2.8Å; Q160-V168 CarbonylContact C-O 3.39Å; Q160-V168 WeakPolarHBondContact CA-O 3.5Å; Q160-W210 HydrophobicContact CB-CB 4.09Å; Q160-W210 WeakPolarHBondContact O-CB 3.14Å; Q160-W210 PolarHBondContact O-N 3.34Å
161A95.4Very high93.8Very high0 Ų069.6 Ų69.60%033%0.328CS..EExtended strand (participates in β ladder)trans-82149.8171.200000111.1I163 R167 V168 L170 L175 F208A161-I163 HydrophobicContact CB-CD1 3.98Å; A161-I163 HydrophobicContact CB-CG1 4.05Å; A161-R167 WeakPolarHBondContact O-CA 3.26Å; A161-V168 PolarHBondContact N-O 3.36Å; A161-V168 PolarHBondContact O-N 2.96Å; A161-L170 HydrophobicContact CB-CD2 3.78Å; A161-L170 HydrophobicContact CB-CG 4.43Å; A161-L175 HydrophobicContact CB-CD2 4.36Å; A161-F208 CarbonylContact C-O 3.47Å; A161-F208 WeakPolarHBondContact CA-O 3.5Å; A161-F208 HydrophobicContact CB-CD2 4.42Å; A161-F208 HydrophobicContact CB-CE1 3.95Å; A161-F208 HydrophobicContact CB-CE2 3.75Å; A161-F208 HydrophobicContact CB-CZ 3.48Å; A161-F208 VanDerWaalsContact CB-CZ 3.48Å
162K94.4Very high93.6Very high106 Ų10673.8 Ų73.846%0.46135%0.351SS..EExtended strand (participates in β ladder)trans-98.995.2167.8-177.7178.9175.5-162.10108.5R166 F208 W210K162-R166 WeakPolarHBondContact CA-O 3.5Å; K162-F208 WeakPolarHBondContact CB-O 3.39Å; K162-F208 PolarHBondContact N-O 3.42Å; K162-W210 HydrophobicContact CB-CE3 3.73Å; K162-W210 HydrophobicContact CB-CZ3 4.25Å; K162-W210 HydrophobicContact CD-CE3 4.05Å; K162-W210 HydrophobicContact CD-CZ3 3.91Å; K162-W210 HydrophobicContact CG-CE3 3.72Å; K162-W210 HydrophobicContact CG-CZ3 3.7Å
163I92.9Very high93.5Very high20 Ų2074 Ų7410%0.10336%0.358CS..EExtended strand (participates in β ladder)trans-114.8126.2177.1-63.2167.5000107.5A161 K165 R166 V168 L175 H179 F208A161-I163 HydrophobicContact CB-CD1 3.98Å; A161-I163 HydrophobicContact CB-CG1 4.05Å; I163-K165 PolarHBondContact O-N 2.77Å; I163-R166 PolarHBondContact N-O 3.17Å; I163-R166 WeakPolarHBondContact O-CA 3.21Å; I163-R166 WeakPolarHBondContact O-CB 3.32Å; I163-R166 PolarHBondContact O-N 2.8Å; I163-V168 HydrophobicContact CB-CG2 4.22Å; I163-V168 HydrophobicContact CD1-CB 4.26Å; I163-V168 HydrophobicContact CD1-CG2 4.28Å; I163-L175 HydrophobicContact CD1-CD1 3.76Å; I163-L175 HydrophobicContact CD1-CD2 3.63Å; I163-L175 HydrophobicContact CD1-CG 3.74Å; I163-H179 WeakPolarHBondContact CG2-NE2 3.33Å; I163-F208 HydrophobicContact CD1-CE2 4.49Å; I163-F208 HydrophobicContact CG1-CE2 4.14Å
164D90.6Very high93.4Very high137 Ų13776 Ų7673%0.73337%0.373SS*.THydrogen-bonded Turntrans47.640.6179.8-57.3-34.4000114.6R166D164-R166 PolarHBondContact O-N 3.13Å; D164-R166 VanDerWaalsContact O-N 3.08Å
165K89.7Confident93.2Very high185 Ų18577.5 Ų77.580%0.80438%0.381SS*.THydrogen-bonded Turntrans63.36.7-176.6-51.8170-177.6168.80114.4I163I163-K165 PolarHBondContact O-N 2.77Å
166R92.5Very high93.1Very high192 Ų19277.4 Ų77.473%0.72538%0.38SS*.EExtended strand (participates in β ladder)trans-95.9163.2171.7-61.7-180-178.9-178.61.1110.4K162 I163 D164K162-R166 WeakPolarHBondContact CA-O 3.5Å; I163-R166 PolarHBondContact N-O 3.17Å; I163-R166 WeakPolarHBondContact O-CA 3.21Å; I163-R166 WeakPolarHBondContact O-CB 3.32Å; I163-R166 PolarHBondContact O-N 2.8Å; D164-R166 PolarHBondContact O-N 3.13Å; D164-R166 VanDerWaalsContact O-N 3.08Å
167R93.6Very high93.2Very high108 Ų10877.3 Ų77.341%0.40838%0.377SS..EExtended strand (participates in β ladder)trans-100.6122.7173.7-65.5-172.6-175.2119.59108.3A161 W210A161-R167 WeakPolarHBondContact O-CA 3.26Å; R167-W210 HydrophobicContact CG-CD2 3.65Å; R167-W210 HydrophobicContact CG-CE3 3.68Å; R167-W210 HydrophobicContact CG-CG 4.01Å; R167-W210 HydrophobicContact CG-CZ3 4.11Å; R167-W210 VanDerWaalsContact NE-CD1 3.3Å; R167-W210 VanDerWaalsContact NH2-CZ2 3.27Å; R167-W210 VanDerWaalsContact NH2-NE1 3.2Å
168V94.4Very high93.2Very high51 Ų5177.9 Ų77.931%0.30938%0.382SS..EExtended strand (participates in β ladder)trans-121.8139.4176.7-172.20000108Q160 A161 I163 L175Q160-V168 CarbonylContact C-O 3.39Å; Q160-V168 WeakPolarHBondContact CA-O 3.5Å; A161-V168 PolarHBondContact N-O 3.36Å; A161-V168 PolarHBondContact O-N 2.96Å; I163-V168 HydrophobicContact CB-CG2 4.22Å; I163-V168 HydrophobicContact CD1-CB 4.26Å; I163-V168 HydrophobicContact CD1-CG2 4.28Å; V168-L175 HydrophobicContact CG1-CD1 3.73Å
169A94.4Very high93.1Very high48 Ų4878.2 Ų78.240%0.39739%0.386SS..EExtended strand (participates in β ladder)trans-70.5147.3176.500000110.4T171A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 HydrophobicContact CB-CG2 4.09Å; A169-T171 PolarHBondContact O-N 3.2Å; A169-T171 VanDerWaalsContact O-N 3.15Å
170L92.3Very high93.1Very high16 Ų1678.4 Ų78.48%0.08439%0.385CS..  trans-85.373.1174.7-69.4172.8000109.7I155 G159 A161 L175 I176 L188 L191 F208I155-L170 HydrophobicContact CG2-CD1 4.3Å; G159-L170 PolarHBondContact O-N 3.3Å; A161-L170 HydrophobicContact CB-CD2 3.78Å; A161-L170 HydrophobicContact CB-CG 4.43Å; L170-L175 HydrophobicContact CD2-CD2 4.26Å; L170-I176 HydrophobicContact CD2-CD1 4.22Å; L170-I176 HydrophobicContact CD2-CG1 3.98Å; L170-L188 HydrophobicContact CB-CD1 4.39Å; L170-L191 HydrophobicContact CD1-CD2 3.92Å; L170-F208 HydrophobicContact CD2-CE1 3.86Å; L170-F208 HydrophobicContact CD2-CZ 4.2Å
171T89.8Confident93Very high99 Ų9976.7 Ų76.761%0.60739%0.385SS*.  trans-92.6-44.3179.846.20000112.5A169A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 HydrophobicContact CB-CG2 4.09Å; A169-T171 PolarHBondContact O-N 3.2Å; A169-T171 VanDerWaalsContact O-N 3.15Å
172D91.3Very high93Very high89 Ų8984.5 Ų84.548%0.47642%0.419SS..  trans-112.8135.3-168.6-53.7-60.1000111.6T174 L175D172-T174 PolarHBondContact O-N 3.08Å; D172-L175 PolarHBondContact O-N 3.42Å
173N94.3Very high93Very high85 Ų8583 Ų8346%0.45541%0.41SS..Hα-helixtrans-65-30.8176.3-71.1-29.8000111.8L175 I176 E177 L188N173-L175 VanDerWaalsContact C-N 3.26Å; N173-L175 PolarHBondContact O-N 3.03Å; N173-I176 WeakPolarHBondContact O-CB 3.25Å; N173-I176 PolarHBondContact O-N 2.94Å; N173-E177 PolarHBondContact O-N 3.13Å; N173-L188 PolarHBondContact OD1-N 3.29Å
174T93.5Very high93Very high83 Ų8384.7 Ų84.751%0.50943%0.433SS..Hα-helixtrans-58-38.9176.954.20000112.1D172 I176 E177 Q178D172-T174 PolarHBondContact O-N 3.08Å; T174-I176 VanDerWaalsContact C-N 3.34Å; T174-E177 PolarHBondContact O-N 2.84Å; T174-Q178 WeakPolarHBondContact O-CB 3.44Å; T174-Q178 WeakPolarHBondContact O-CG 3.23Å; T174-Q178 PolarHBondContact O-N 3.45Å
175L92.1Very high93.2Very high31 Ų3178.4 Ų78.416%0.16240%0.4CS..Hα-helixtrans-68.6-34.3177.1177.4145.4000112A161 I163 V168 L170 D172 N173 H179 F208A161-L175 HydrophobicContact CB-CD2 4.36Å; I163-L175 HydrophobicContact CD1-CD1 3.76Å; I163-L175 HydrophobicContact CD1-CD2 3.63Å; I163-L175 HydrophobicContact CD1-CG 3.74Å; V168-L175 HydrophobicContact CG1-CD1 3.73Å; L170-L175 HydrophobicContact CD2-CD2 4.26Å; D172-L175 PolarHBondContact O-N 3.42Å; N173-L175 VanDerWaalsContact C-N 3.26Å; N173-L175 PolarHBondContact O-N 3.03Å; L175-H179 PolarHBondContact O-CD2 3.33Å; L175-F208 HydrophobicContact CD2-CZ 4.41Å
176I93.4Very high93.4Very high0 Ų073.8 Ų73.80%038%0.383CS..Hα-helixtrans-69.7-49.6175.7-61.7175.8000109.4L170 N173 T174 Q178 H179 M180 I185 L188L170-I176 HydrophobicContact CD2-CD1 4.22Å; L170-I176 HydrophobicContact CD2-CG1 3.98Å; N173-I176 WeakPolarHBondContact O-CB 3.25Å; N173-I176 PolarHBondContact O-N 2.94Å; T174-I176 VanDerWaalsContact C-N 3.34Å; I176-Q178 PolarHBondContact O-N 3.13Å; I176-H179 PolarHBondContact O-N 2.99Å; I176-M180 HydrophobicContact CG2-CB 4.39Å; I176-M180 WeakPolarHBondContact O-CA 3.4Å; I176-M180 WeakPolarHBondContact O-CB 3.47Å; I176-M180 PolarHBondContact O-N 3.19Å; I176-I185 HydrophobicContact CG2-CG2 3.94Å; I176-L188 HydrophobicContact CD1-CB 3.82Å; I176-L188 HydrophobicContact CD1-CG 4.21Å
177E94.9Very high93.5Very high97 Ų9766.1 Ų66.145%0.45336%0.358SS..Hα-helixtrans-58.9-45.1179.5-174.6177.1-164.800112.3N173 T174 H179 G181 I186N173-E177 PolarHBondContact O-N 3.13Å; T174-E177 PolarHBondContact O-N 2.84Å; E177-H179 VanDerWaalsContact C-N 3.27Å; E177-H179 PolarHBondContact O-N 3.25Å; E177-G181 WeakPolarHBondContact O-CA 3.2Å; E177-G181 PolarHBondContact O-N 3.13Å; E177-I186 HydrophobicContact CB-CG2 4.3Å; E177-I186 HydrophobicContact CG-CG2 4.11Å
178Q94.2Very high93.6Very high154 Ų15462 Ų6272%0.7234%0.344SS*.Hα-helixtrans-57.1-38.7178.2-77.7172.74.200113.1T174 I176T174-Q178 WeakPolarHBondContact O-CB 3.44Å; T174-Q178 WeakPolarHBondContact O-CG 3.23Å; T174-Q178 PolarHBondContact O-N 3.45Å; I176-Q178 PolarHBondContact O-N 3.13Å
179H92.8Very high93.6Very high70 Ų7063.5 Ų63.532%0.32435%0.348SS..Hα-helixtrans-94.4-34.2-176.7-76-66000113.8I163 L175 I176 E177 F208I163-H179 WeakPolarHBondContact CG2-NE2 3.33Å; L175-H179 PolarHBondContact O-CD2 3.33Å; I176-H179 PolarHBondContact O-N 2.99Å; E177-H179 VanDerWaalsContact C-N 3.27Å; E177-H179 PolarHBondContact O-N 3.25Å; H179-F208 HydrophobicContact CB-CE2 3.85Å; H179-F208 HydrophobicContact CB-CZ 4.4Å
180M94.3Very high93.6Very high12 Ų1264 Ų646%0.05934%0.344CS..Hα-helixtrans-115.1-4.2-170.7-57.4-77.989.800113.7I176 K182 Y183 I185 V204 F208I176-M180 HydrophobicContact CG2-CB 4.39Å; I176-M180 WeakPolarHBondContact O-CA 3.4Å; I176-M180 WeakPolarHBondContact O-CB 3.47Å; I176-M180 PolarHBondContact O-N 3.19Å; M180-K182 PolarHBondContact O-N 2.98Å; M180-Y183 HydrophobicContact CE-CD2 4.02Å; M180-Y183 HydrophobicContact CE-CE2 3.93Å; M180-Y183 WeakPolarHBondContact O-CA 3.49Å; M180-Y183 WeakPolarHBondContact O-CB 3.3Å; M180-Y183 PolarHBondContact O-N 3.3Å; M180-Y183 HydrophobicContact SD-CD2 4.3Å; M180-I185 CarbonylContact C-O 3.52Å; M180-I185 HydrophobicContact CB-CB 3.84Å; M180-I185 HydrophobicContact CB-CD1 4.49Å; M180-I185 HydrophobicContact CB-CG2 4.14Å; M180-I185 PolarHBondContact O-N 3.32Å; M180-V204 HydrophobicContact CE-CG1 4.02Å; M180-V204 HydrophobicContact SD-CG1 4.35Å; M180-F208 HydrophobicContact CE-CB 4.32Å; M180-F208 HydrophobicContact CE-CD2 4.13Å; M180-F208 HydrophobicContact CE-CG 4.26Å; M180-F208 HydrophobicContact CG-CD1 4.05Å; M180-F208 HydrophobicContact CG-CD2 4.41Å; M180-F208 HydrophobicContact CG-CE1 4.08Å; M180-F208 HydrophobicContact CG-CE2 4.44Å; M180-F208 HydrophobicContact CG-CG 4.21Å; M180-F208 HydrophobicContact CG-CZ 4.27Å; M180-F208 HydrophobicContact SD-CB 3.86Å; M180-F208 HydrophobicContact SD-CD1 4.06Å; M180-F208 HydrophobicContact SD-CD2 4.2Å; M180-F208 HydrophobicContact SD-CG 3.79Å
181G93.1Very high93.7Very high28 Ų2863.3 Ų63.329%0.28934%0.34SS..G310 helixtrans-58.3-32.9-18000000113.3E177 Y183 G184 I185E177-G181 WeakPolarHBondContact O-CA 3.2Å; E177-G181 PolarHBondContact O-N 3.13Å; G181-Y183 PolarHBondContact O-N 3.07Å; G181-G184 PolarHBondContact O-N 2.91Å; G181-I185 PolarHBondContact N-O 2.93Å
182K94.4Very high94Very high164 Ų16458.6 Ų58.671%0.71331%0.311SS*.G310 helixtrans-60.4-17.4172.369.2-176.2180179.90114.9M180M180-K182 PolarHBondContact O-N 2.98Å
183Y93.8Very high94.2Very high73 Ų7359.6 Ų59.629%0.28631%0.313SS..G310 helixtrans-103.16.7177-60.7-65000112.7M180 G181 N201 V204M180-Y183 HydrophobicContact CE-CD2 4.02Å; M180-Y183 HydrophobicContact CE-CE2 3.93Å; M180-Y183 WeakPolarHBondContact O-CA 3.49Å; M180-Y183 WeakPolarHBondContact O-CB 3.3Å; M180-Y183 PolarHBondContact O-N 3.3Å; M180-Y183 HydrophobicContact SD-CD2 4.3Å; G181-Y183 PolarHBondContact O-N 3.07Å; Y183-N201 HydrophobicContact CD1-CB 4.43Å; Y183-N201 HydrophobicContact CG-CB 4.5Å; Y183-N201 PolarHBondContact O-ND2 3.24Å; Y183-V204 HydrophobicContact CD2-CG1 4.08Å; Y183-V204 HydrophobicContact CE1-CG2 4.27Å; Y183-V204 HydrophobicContact CE2-CB 4.31Å; Y183-V204 HydrophobicContact CE2-CG1 3.44Å; Y183-V204 VanDerWaalsContact CE2-CG1 3.44Å
184G92.8Very high94.3Very high57 Ų5757 Ų5759%0.58830%0.298SS*.THydrogen-bonded Turntrans74.125.2-175.800000113.7G181G181-G184 PolarHBondContact O-N 2.91Å
185I95Very high94.4Very high5 Ų553.1 Ų53.13%0.02627%0.274CS..  trans-112.6106.4179.5-56.8171.7000107.3I176 M180 G181 D190 L191 E194 V205I176-I185 HydrophobicContact CG2-CG2 3.94Å; M180-I185 CarbonylContact C-O 3.52Å; M180-I185 HydrophobicContact CB-CB 3.84Å; M180-I185 HydrophobicContact CB-CD1 4.49Å; M180-I185 HydrophobicContact CB-CG2 4.14Å; M180-I185 PolarHBondContact O-N 3.32Å; G181-I185 PolarHBondContact N-O 2.93Å; I185-D190 HydrophobicContact CB-CB 4.44Å; I185-D190 HydrophobicContact CG2-CB 3.93Å; I185-L191 HydrophobicContact CG2-CB 4.18Å; I185-L191 HydrophobicContact CG2-CD1 4.21Å; I185-E194 HydrophobicContact CD1-CB 4.43Å; I185-E194 HydrophobicContact CD1-CG 4.16Å; I185-V205 HydrophobicContact CD1-CG2 3.22Å
186I95Very high94.6Very high88 Ų8856.1 Ų56.145%0.45128%0.284SS..  trans-103.6-41.8-172.2-57.7171.7000109.4E177 D190E177-I186 HydrophobicContact CB-CG2 4.3Å; E177-I186 HydrophobicContact CG-CG2 4.11Å; I186-D190 PolarHBondContact N-OD2 2.82Å; I186-D190 VanDerWaalsContact N-OD2 3.09Å
187C94.6Very high94.6Very high30 Ų3058.3 Ų58.320%0.20330%0.299CS..SBendtrans-119.3172.4-175.771.50000113.4E189 D190 L191C187-E189 PolarHBondContact O-N 3.03Å; C187-D190 PolarHBondContact N-OD2 3.36Å; C187-D190 PolarHBondContact O-N 3.43Å; C187-D190 PolarHBondContact SG-N 3.16Å; C187-D190 PolarHBondContact SG-OD2 3.36Å; C187-L191 PolarHBondContact O-N 3.29Å
188L94.6Very high94.6Very high21 Ų2153.8 Ų53.811%0.1128%0.278CS..Hα-helixtrans-63.6-31.3175.8-159160.4000111.9I155 L156 L170 N173 I176 L191 I192I155-L188 HydrophobicContact CG2-CD2 3.67Å; I155-L188 HydrophobicContact CG2-CG 4.26Å; L156-L188 HydrophobicContact CD2-CD1 3.85Å; L156-L188 HydrophobicContact CD2-CD2 3.56Å; L156-L188 HydrophobicContact CD2-CG 4.36Å; L156-L188 HydrophobicContact CG-CD2 4.23Å; L170-L188 HydrophobicContact CB-CD1 4.39Å; N173-L188 PolarHBondContact OD1-N 3.29Å; I176-L188 HydrophobicContact CD1-CB 3.82Å; I176-L188 HydrophobicContact CD1-CG 4.21Å; L188-L191 VanDerWaalsContact O-CB 3.3Å; L188-L191 WeakPolarHBondContact O-CB 3.2Å; L188-L191 PolarHBondContact O-N 2.83Å; L188-I192 HydrophobicContact CD2-CD1 3.41Å; L188-I192 VanDerWaalsContact CD2-CD1 3.41Å; L188-I192 HydrophobicContact CD2-CG1 3.92Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 3.07Å
189E94.9Very high94.5Very high84 Ų8447.3 Ų47.339%0.39325%0.253SS..Hα-helixtrans-66.3-43.9177.3-165.860.4-152.200111.8R152 C187 L191 I192 H193R152-E189 IonicContact CZ-OE1 2.73Å; R152-E189 IonicContact CZ-OE2 3.38Å; R152-E189 IonicContact NH1-OE1 3.29Å; R152-E189 PolarHBondContact NH1-OE1 2.82Å; R152-E189 IonicContact NH1-OE2 3.27Å; R152-E189 PolarHBondContact NH1-OE2 2.85Å; R152-E189 IonicContact NH2-OE1 3.79Å; R152-E189 PolarHBondContact NH2-OE1 3.07Å; R152-E189 IonicContact NH2-OE2 2.66Å; C187-E189 PolarHBondContact O-N 3.03Å; E189-L191 PolarHBondContact O-N 3.42Å; E189-I192 WeakPolarHBondContact O-CB 3.37Å; E189-I192 PolarHBondContact O-N 2.68Å; E189-I192 VanDerWaalsContact O-N 3.13Å; E189-H193 WeakPolarHBondContact O-CB 3.48Å; E189-H193 PolarHBondContact O-N 3.41Å
190D95Very high94.6Very high59 Ų5953.9 Ų53.932%0.31628%0.281SS..Hα-helixtrans-59.1-39.2175.1-57.5-31.5000111I185 I186 C187 H193 E194I185-D190 HydrophobicContact CB-CB 4.44Å; I185-D190 HydrophobicContact CG2-CB 3.93Å; I186-D190 PolarHBondContact N-OD2 2.82Å; I186-D190 VanDerWaalsContact N-OD2 3.09Å; C187-D190 PolarHBondContact N-OD2 3.36Å; C187-D190 PolarHBondContact O-N 3.43Å; C187-D190 PolarHBondContact SG-N 3.16Å; C187-D190 PolarHBondContact SG-OD2 3.36Å; D190-H193 PolarHBondContact O-N 2.93Å; D190-E194 VanDerWaalsContact O-CB 3.3Å; D190-E194 WeakPolarHBondContact O-CB 3.34Å; D190-E194 PolarHBondContact O-N 3.38Å
191L94.9Very high94.6Very high0 Ų055.6 Ų55.60%029%0.29CS..Hα-helixtrans-62.4-45.6176.3-16893.7000111.5I155 L170 I185 C187 L188 E189 I195 V205 F208 I209I155-L191 HydrophobicContact CG2-CD2 3.92Å; L170-L191 HydrophobicContact CD1-CD2 3.92Å; I185-L191 HydrophobicContact CG2-CB 4.18Å; I185-L191 HydrophobicContact CG2-CD1 4.21Å; C187-L191 PolarHBondContact O-N 3.29Å; L188-L191 VanDerWaalsContact O-CB 3.3Å; L188-L191 WeakPolarHBondContact O-CB 3.2Å; L188-L191 PolarHBondContact O-N 2.83Å; E189-L191 PolarHBondContact O-N 3.42Å; L191-I195 HydrophobicContact CG-CD1 4.35Å; L191-I195 WeakPolarHBondContact O-CD1 3.43Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.24Å; L191-I195 PolarHBondContact O-N 3.41Å; L191-V205 HydrophobicContact CD1-CG1 3.59Å; L191-V205 HydrophobicContact CG-CG1 3.97Å; L191-F208 HydrophobicContact CD1-CD1 4.12Å; L191-F208 HydrophobicContact CD1-CE1 4.33Å; L191-I209 HydrophobicContact CD2-CD1 3.79Å; L191-I209 HydrophobicContact CD2-CG1 4.28Å; L191-I209 HydrophobicContact CG-CD1 4.27Å
192I95.9Very high94.7Very high0 Ų054.8 Ų54.80%028%0.278CS..Hα-helixtrans-62.2-47.5176.7-70.1163.3000109.9L148 V151 R152 I155 L188 E189 I195 Y196L148-I192 HydrophobicContact CD1-CG2 3.95Å; V151-I192 HydrophobicContact CG1-CG2 4.26Å; R152-I192 HydrophobicContact CB-CD1 4.27Å; R152-I192 HydrophobicContact CB-CG2 4.49Å; R152-I192 HydrophobicContact CG-CD1 4.07Å; I155-I192 HydrophobicContact CB-CG1 4.2Å; I155-I192 HydrophobicContact CD1-CB 4.43Å; I155-I192 HydrophobicContact CD1-CG1 3.73Å; I155-I192 HydrophobicContact CG2-CG1 4.16Å; L188-I192 HydrophobicContact CD2-CD1 3.41Å; L188-I192 VanDerWaalsContact CD2-CD1 3.41Å; L188-I192 HydrophobicContact CD2-CG1 3.92Å; L188-I192 WeakPolarHBondContact O-CG1 3.49Å; L188-I192 PolarHBondContact O-N 3.07Å; E189-I192 WeakPolarHBondContact O-CB 3.37Å; E189-I192 PolarHBondContact O-N 2.68Å; E189-I192 VanDerWaalsContact O-N 3.13Å; I192-I195 PolarHBondContact O-N 2.95Å; I192-Y196 WeakPolarHBondContact O-CB 3.34Å; I192-Y196 PolarHBondContact O-N 3.3Å
193H95.3Very high94.7Very high111 Ų11156.5 Ų56.551%0.51428%0.28SS..Hα-helixtrans-60.7-47.8-179.9177.7-99000111.5E189 D190 I195 Y196 S197E189-H193 WeakPolarHBondContact O-CB 3.48Å; E189-H193 PolarHBondContact O-N 3.41Å; D190-H193 PolarHBondContact O-N 2.93Å; H193-I195 VanDerWaalsContact C-N 3.27Å; H193-I195 PolarHBondContact O-N 2.89Å; H193-Y196 PolarHBondContact O-N 3.18Å; H193-S197 PolarHBondContact NE2-OG 2.88Å; H193-S197 VanDerWaalsContact NE2-OG 3.16Å; H193-S197 VanDerWaalsContact O-CB 3.25Å; H193-S197 WeakPolarHBondContact O-CB 3.41Å; H193-S197 PolarHBondContact O-N 3.13Å; H193-S197 PolarHBondContact O-OG 3.31Å
194E95.4Very high94.8Very high30 Ų3054.9 Ų54.914%0.1428%0.278CS..Hα-helixtrans-61.6-35180-176.461.6-166.200112.3I185 D190 V198 G199 K200 N201 F202 V205I185-E194 HydrophobicContact CD1-CB 4.43Å; I185-E194 HydrophobicContact CD1-CG 4.16Å; D190-E194 VanDerWaalsContact O-CB 3.3Å; D190-E194 WeakPolarHBondContact O-CB 3.34Å; D190-E194 PolarHBondContact O-N 3.38Å; E194-V198 WeakPolarHBondContact O-CA 3.43Å; E194-V198 PolarHBondContact O-N 2.95Å; E194-G199 PolarHBondContact O-N 3.43Å; E194-G199 VanDerWaalsContact O-N 3.08Å; E194-G199 WeakPolarHBondContact OE1-CA 3.34Å; E194-K200 PolarHBondContact OE1-N 3.07Å; E194-K200 VanDerWaalsContact OE1-N 3.13Å; E194-N201 WeakPolarHBondContact OE1-CA 3.46Å; E194-N201 WeakPolarHBondContact OE1-CB 3.5Å; E194-N201 PolarHBondContact OE1-N 3.38Å; E194-F202 PolarHBondContact OE1-N 3.04Å; E194-V205 HydrophobicContact CG-CG2 3.85Å
195I95.9Very high94.9Very high1 Ų152.2 Ų52.21%0.00525%0.25CS..Hα-helixtrans-71.1-50.7175.5-71.6163.8000111.4L90 F123 V151 I155 L191 I192 H193 V198 F202 V205 I209L90-I195 HydrophobicContact CD1-CG2 4.42Å; L90-I195 HydrophobicContact CD2-CG2 3.99Å; F123-I195 HydrophobicContact CB-CG2 4.42Å; F123-I195 HydrophobicContact CD1-CG2 4.25Å; F123-I195 HydrophobicContact CD2-CD1 4.36Å; F123-I195 HydrophobicContact CD2-CG2 3.68Å; F123-I195 HydrophobicContact CE2-CD1 4.44Å; F123-I195 HydrophobicContact CE2-CG2 3.93Å; F123-I195 HydrophobicContact CG-CG2 3.87Å; F123-I195 HydrophobicContact CZ-CG2 4.37Å; V151-I195 HydrophobicContact CG1-CG2 4.02Å; I155-I195 HydrophobicContact CD1-CD1 3.55Å; L191-I195 HydrophobicContact CG-CD1 4.35Å; L191-I195 WeakPolarHBondContact O-CD1 3.43Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.24Å; L191-I195 PolarHBondContact O-N 3.41Å; I192-I195 PolarHBondContact O-N 2.95Å; H193-I195 VanDerWaalsContact C-N 3.27Å; H193-I195 PolarHBondContact O-N 2.89Å; I195-V198 PolarHBondContact O-N 3.36Å; I195-F202 HydrophobicContact CG2-CE2 4.26Å; I195-V205 HydrophobicContact CD1-CG1 3.72Å; I195-V205 HydrophobicContact CG1-CG1 3.61Å; I195-I209 HydrophobicContact CD1-CD1 3.25Å
196Y95.7Very high94.9Very high95 Ų9552.6 Ų52.637%0.37325%0.253SS..Hα-helixtrans-65.5-45.6-175.7-177.2-106.3000111.8L148 V151 I192 H193 V198L148-Y196 HydrophobicContact CB-CD2 4.3Å; L148-Y196 HydrophobicContact CB-CE1 4.36Å; L148-Y196 HydrophobicContact CB-CE2 4.04Å; L148-Y196 HydrophobicContact CD1-CD1 4.01Å; L148-Y196 HydrophobicContact CD1-CD2 4.24Å; L148-Y196 HydrophobicContact CD1-CG 3.84Å; V151-Y196 HydrophobicContact CG2-CD2 4.25Å; I192-Y196 WeakPolarHBondContact O-CB 3.34Å; I192-Y196 PolarHBondContact O-N 3.3Å; H193-Y196 PolarHBondContact O-N 3.18Å; Y196-V198 PolarHBondContact O-N 2.88Å
197S93.9Very high94.9Very high45 Ų4552.7 Ų52.732%0.31526%0.255SS..Hα-helixtrans-74.4-13.6178.7-61.50000112.9R89 H193R89-S197 PolarHBondContact NH1-O 3.44Å; H193-S197 PolarHBondContact NE2-OG 2.88Å; H193-S197 VanDerWaalsContact NE2-OG 3.16Å; H193-S197 VanDerWaalsContact O-CB 3.25Å; H193-S197 WeakPolarHBondContact O-CB 3.41Å; H193-S197 PolarHBondContact O-N 3.13Å; H193-S197 PolarHBondContact O-OG 3.31Å
198V94.9Very high94.9Very high2 Ų252 Ų521%0.01225%0.248CC..THydrogen-bonded Turntrans55.157.6-176.4-167.30000110.6R89 L90 K125 E194 I195 Y196 F202R89-V198 HydrophobicContact CB-CB 4.31Å; R89-V198 HydrophobicContact CB-CG2 3.91Å; L90-V198 HydrophobicContact CB-CG2 3.72Å; L90-V198 HydrophobicContact CD1-CG2 4.27Å; K125-V198 HydrophobicContact CB-CG1 4.09Å; K125-V198 HydrophobicContact CD-CG1 3.47Å; K125-V198 VanDerWaalsContact CD-CG1 3.47Å; K125-V198 HydrophobicContact CG-CG1 3.6Å; E194-V198 WeakPolarHBondContact O-CA 3.43Å; E194-V198 PolarHBondContact O-N 2.95Å; I195-V198 PolarHBondContact O-N 3.36Å; Y196-V198 PolarHBondContact O-N 2.88Å; V198-F202 HydrophobicContact CB-CD2 4.4Å; V198-F202 HydrophobicContact CG1-CB 4.34Å; V198-F202 HydrophobicContact CG1-CD2 4.05Å; V198-F202 HydrophobicContact CG1-CG 4.03Å
199G92.4Very high94.9Very high19 Ų1951.2 Ų51.220%0.19625%0.245CC..  trans-69.5-171-175.900000114.3E194 N201 F202E194-G199 PolarHBondContact O-N 3.43Å; E194-G199 VanDerWaalsContact O-N 3.08Å; E194-G199 WeakPolarHBondContact OE1-CA 3.34Å; G199-N201 VanDerWaalsContact C-N 3.29Å; G199-N201 PolarHBondContact O-N 2.94Å; G199-F202 WeakPolarHBondContact O-CB 3.28Å; G199-F202 PolarHBondContact O-N 3.02Å
200K93.7Very high94.9Very high208 Ų20850.1 Ų50.190%0.90424%0.237SC*.THydrogen-bonded Turntrans-64.9-35.4-176.4-64.9179.7-177.6176.50111.4E194E194-K200 PolarHBondContact OE1-N 3.07Å; E194-K200 VanDerWaalsContact OE1-N 3.13Å
201N95.5Very high94.9Very high48 Ų4848.2 Ų48.226%0.25723%0.228SC..THydrogen-bonded Turntrans-95.66.9-174.8-63.2-38.3000112.9Y183 E194 G199 R203 V204 V205Y183-N201 HydrophobicContact CD1-CB 4.43Å; Y183-N201 HydrophobicContact CG-CB 4.5Å; Y183-N201 PolarHBondContact O-ND2 3.24Å; E194-N201 WeakPolarHBondContact OE1-CA 3.46Å; E194-N201 WeakPolarHBondContact OE1-CB 3.5Å; E194-N201 PolarHBondContact OE1-N 3.38Å; G199-N201 VanDerWaalsContact C-N 3.29Å; G199-N201 PolarHBondContact O-N 2.94Å; N201-R203 PolarHBondContact O-N 3.11Å; N201-V204 WeakPolarHBondContact O-CA 3.44Å; N201-V204 WeakPolarHBondContact O-CB 3.39Å; N201-V204 PolarHBondContact O-N 2.78Å; N201-V205 PolarHBondContact O-N 3.49Å
202F95.4Very high94.9Very high11 Ų1148.4 Ų48.45%0.04823%0.229CC..Hα-helixtrans-46.4-41.9179.1-180-89.2000113.8L90 F123 K125 E194 I195 V198 G199 V204 V205 S206L90-F202 HydrophobicContact CD1-CE2 3.59Å; L90-F202 HydrophobicContact CD1-CZ 3.75Å; F123-F202 HydrophobicContact CB-CZ 4.17Å; K125-F202 HydrophobicContact CB-CD1 3.82Å; K125-F202 HydrophobicContact CB-CE1 3.57Å; K125-F202 HydrophobicContact CB-CZ 4.24Å; K125-F202 HydrophobicContact CD-CD1 4.35Å; E194-F202 PolarHBondContact OE1-N 3.04Å; I195-F202 HydrophobicContact CG2-CE2 4.26Å; V198-F202 HydrophobicContact CB-CD2 4.4Å; V198-F202 HydrophobicContact CG1-CB 4.34Å; V198-F202 HydrophobicContact CG1-CD2 4.05Å; V198-F202 HydrophobicContact CG1-CG 4.03Å; G199-F202 WeakPolarHBondContact O-CB 3.28Å; G199-F202 PolarHBondContact O-N 3.02Å; F202-V204 VanDerWaalsContact C-N 3.3Å; F202-V204 PolarHBondContact O-N 2.95Å; F202-V205 PolarHBondContact O-N 3.19Å; F202-S206 WeakPolarHBondContact O-CB 3.49Å; F202-S206 PolarHBondContact O-N 3.11Å
203R94.5Very high94.8Very high199 Ų19952.8 Ų52.875%0.75125%0.247SC*.Hα-helixtrans-62.5-40179.9-176.517670-178.70.8111.7N201 N207N201-R203 PolarHBondContact O-N 3.11Å; R203-N207 WeakPolarHBondContact O-CB 3.47Å; R203-N207 PolarHBondContact O-N 3.12Å; R203-N207 PolarHBondContact O-ND2 2.9Å
204V94.9Very high94.6Very high40 Ų4048.2 Ų48.224%0.24223%0.227CC..Hα-helixtrans-72.1-48.2-179.5-175.30000109.9M180 Y183 N201 F202 S206 N207 F208M180-V204 HydrophobicContact CE-CG1 4.02Å; M180-V204 HydrophobicContact SD-CG1 4.35Å; Y183-V204 HydrophobicContact CD2-CG1 4.08Å; Y183-V204 HydrophobicContact CE1-CG2 4.27Å; Y183-V204 HydrophobicContact CE2-CB 4.31Å; Y183-V204 HydrophobicContact CE2-CG1 3.44Å; Y183-V204 VanDerWaalsContact CE2-CG1 3.44Å; N201-V204 WeakPolarHBondContact O-CA 3.44Å; N201-V204 WeakPolarHBondContact O-CB 3.39Å; N201-V204 PolarHBondContact O-N 2.78Å; F202-V204 VanDerWaalsContact C-N 3.3Å; F202-V204 PolarHBondContact O-N 2.95Å; V204-S206 PolarHBondContact O-N 3.32Å; V204-N207 PolarHBondContact O-N 2.83Å; V204-N207 VanDerWaalsContact O-N 3.12Å; V204-F208 WeakPolarHBondContact O-CB 3.46Å; V204-F208 PolarHBondContact O-N 3.15Å
205V95.6Very high94.3Very high0 Ų049.7 Ų49.70%024%0.241CC..Hα-helixtrans-60.5-45.9177.9177.30000111.8I185 L191 E194 I195 N201 F202 N207 F208 I209I185-V205 HydrophobicContact CD1-CG2 3.22Å; L191-V205 HydrophobicContact CD1-CG1 3.59Å; L191-V205 HydrophobicContact CG-CG1 3.97Å; E194-V205 HydrophobicContact CG-CG2 3.85Å; I195-V205 HydrophobicContact CD1-CG1 3.72Å; I195-V205 HydrophobicContact CG1-CG1 3.61Å; N201-V205 PolarHBondContact O-N 3.49Å; F202-V205 PolarHBondContact O-N 3.19Å; V205-N207 PolarHBondContact O-N 3.38Å; V205-F208 WeakPolarHBondContact O-CB 3.39Å; V205-F208 PolarHBondContact O-N 3.42Å; V205-F208 VanDerWaalsContact O-N 3.16Å; V205-I209 HydrophobicContact CG1-CD1 4.38Å; V205-I209 PolarHBondContact O-N 3.49Å
206S95Very high93.8Very high13 Ų1351.2 Ų51.29%0.09125%0.25CS..Hα-helixtrans-60.1-37.8177.3-174.40000111.1R114 F123 F202 V204R114-S206 PolarHBondContact NH1-O 2.93Å; R114-S206 PolarHBondContact NH2-O 2.94Å; R114-S206 PolarHBondContact NH2-OG 3.23Å; F123-S206 PolarHBondContact O-OG 3.23Å; F202-S206 WeakPolarHBondContact O-CB 3.49Å; F202-S206 PolarHBondContact O-N 3.11Å; V204-S206 PolarHBondContact O-N 3.32Å
207N94.1Very high93Very high91 Ų9150 Ų5049%0.48726%0.26SS..Hα-helixtrans-74.7-32.1176.4-81.4-24.7000114R203 V204 V205R203-N207 WeakPolarHBondContact O-CB 3.47Å; R203-N207 PolarHBondContact O-N 3.12Å; R203-N207 PolarHBondContact O-ND2 2.9Å; V204-N207 PolarHBondContact O-N 2.83Å; V204-N207 VanDerWaalsContact O-N 3.12Å; V205-N207 PolarHBondContact O-N 3.38Å
208F95.1Very high91.8Very high14 Ų1459.6 Ų59.66%0.06129%0.289CS..Hα-helixtrans-64.1-41.7173.2175.2-110.1000110.8A161 K162 I163 L170 L175 H179 M180 L191 V204 V205 W210A161-F208 CarbonylContact C-O 3.47Å; A161-F208 WeakPolarHBondContact CA-O 3.5Å; A161-F208 HydrophobicContact CB-CD2 4.42Å; A161-F208 HydrophobicContact CB-CE1 3.95Å; A161-F208 HydrophobicContact CB-CE2 3.75Å; A161-F208 HydrophobicContact CB-CZ 3.48Å; A161-F208 VanDerWaalsContact CB-CZ 3.48Å; K162-F208 WeakPolarHBondContact CB-O 3.39Å; K162-F208 PolarHBondContact N-O 3.42Å; I163-F208 HydrophobicContact CD1-CE2 4.49Å; I163-F208 HydrophobicContact CG1-CE2 4.14Å; L170-F208 HydrophobicContact CD2-CE1 3.86Å; L170-F208 HydrophobicContact CD2-CZ 4.2Å; L175-F208 HydrophobicContact CD2-CZ 4.41Å; H179-F208 HydrophobicContact CB-CE2 3.85Å; H179-F208 HydrophobicContact CB-CZ 4.4Å; M180-F208 HydrophobicContact CE-CB 4.32Å; M180-F208 HydrophobicContact CE-CD2 4.13Å; M180-F208 HydrophobicContact CE-CG 4.26Å; M180-F208 HydrophobicContact CG-CD1 4.05Å; M180-F208 HydrophobicContact CG-CD2 4.41Å; M180-F208 HydrophobicContact CG-CE1 4.08Å; M180-F208 HydrophobicContact CG-CE2 4.44Å; M180-F208 HydrophobicContact CG-CG 4.21Å; M180-F208 HydrophobicContact CG-CZ 4.27Å; M180-F208 HydrophobicContact SD-CB 3.86Å; M180-F208 HydrophobicContact SD-CD1 4.06Å; M180-F208 HydrophobicContact SD-CD2 4.2Å; M180-F208 HydrophobicContact SD-CG 3.79Å; L191-F208 HydrophobicContact CD1-CD1 4.12Å; L191-F208 HydrophobicContact CD1-CE1 4.33Å; V204-F208 WeakPolarHBondContact O-CB 3.46Å; V204-F208 PolarHBondContact O-N 3.15Å; V205-F208 WeakPolarHBondContact O-CB 3.39Å; V205-F208 PolarHBondContact O-N 3.42Å; V205-F208 VanDerWaalsContact O-N 3.16Å; F208-W210 PolarHBondContact O-N 2.82Å
209I94.8Very high90.7Very high6 Ų668.1 Ų68.13%0.03133%0.328CS..BIsolated β-bridgetrans-74.2128.4174.5-61.7176.4000110.6R114 I155 L191 I195 V205 F212R114-I209 PolarHBondContact NH1-O 2.9Å; R114-I209 VanDerWaalsContact NH1-O 3.07Å; I155-I209 HydrophobicContact CD1-CD1 4.47Å; I155-I209 HydrophobicContact CG1-CD1 4.49Å; L191-I209 HydrophobicContact CD2-CD1 3.79Å; L191-I209 HydrophobicContact CD2-CG1 4.28Å; L191-I209 HydrophobicContact CG-CD1 4.27Å; I195-I209 HydrophobicContact CD1-CD1 3.25Å; V205-I209 HydrophobicContact CG1-CD1 4.38Å; V205-I209 PolarHBondContact O-N 3.49Å; I209-F212 HydrophobicContact CG2-CE1 4.34Å; I209-F212 HydrophobicContact CG2-CE2 4.19Å; I209-F212 HydrophobicContact CG2-CZ 3.82Å
210W94.9Very high89.9Confident60 Ų6068.1 Ų68.123%0.22733%0.327CS..PPolyproline II helixtrans-71.4139.5171.1-160.5-79.2000110.1Q160 K162 R167 F208 F212Q160-W210 HydrophobicContact CB-CB 4.09Å; Q160-W210 WeakPolarHBondContact O-CB 3.14Å; Q160-W210 PolarHBondContact O-N 3.34Å; K162-W210 HydrophobicContact CB-CE3 3.73Å; K162-W210 HydrophobicContact CB-CZ3 4.25Å; K162-W210 HydrophobicContact CD-CE3 4.05Å; K162-W210 HydrophobicContact CD-CZ3 3.91Å; K162-W210 HydrophobicContact CG-CE3 3.72Å; K162-W210 HydrophobicContact CG-CZ3 3.7Å; R167-W210 HydrophobicContact CG-CD2 3.65Å; R167-W210 HydrophobicContact CG-CE3 3.68Å; R167-W210 HydrophobicContact CG-CG 4.01Å; R167-W210 HydrophobicContact CG-CZ3 4.11Å; R167-W210 VanDerWaalsContact NE-CD1 3.3Å; R167-W210 VanDerWaalsContact NH2-CZ2 3.27Å; R167-W210 VanDerWaalsContact NH2-NE1 3.2Å; F208-W210 PolarHBondContact O-N 2.82Å; W210-F212 PolarHBondContact O-N 2.98Å
211P95.1Very high88.9Confident20 Ų2060.3 Ų60.313%0.1330%0.301CS..PPolyproline II helixtrans-50.3127.5175.6-28.332.6000112.6R114 G121 K213R114-P211 HydrophobicContact CB-CG 3.52Å; G121-P211 CarbonylContact O-C 3.56Å; G121-P211 WeakPolarHBondContact O-CA 3.36Å; P211-K213 PolarHBondContact O-N 3.29Å
212F95.7Very high87.9Confident4 Ų466.6 Ų66.62%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-59.5135.2-177-60.8-80.8000110.1F92 S120 G121 F123 L154 I155 R158 I209 W210 L214F92-F212 AromaticContact CE2-CD2 3.88Å; F92-F212 HydrophobicContact CE2-CD2 3.88Å; F92-F212 HydrophobicContact CE2-CE2 4.31Å; F92-F212 HydrophobicContact CZ-CD2 4.38Å; S120-F212 CarbonylContact C-O 3.56Å; S120-F212 WeakPolarHBondContact CA-O 3.24Å; G121-F212 PolarHBondContact N-O 3.49Å; G121-F212 PolarHBondContact O-N 2.81Å; F123-F212 AromaticContact CD2-CE2 3.72Å; F123-F212 HydrophobicContact CD2-CE2 3.72Å; F123-F212 HydrophobicContact CD2-CZ 4.24Å; F123-F212 AromaticContact CE2-CE2 3.33Å; F123-F212 HydrophobicContact CE2-CE2 3.33Å; F123-F212 AromaticContact CE2-CZ 3.53Å; F123-F212 HydrophobicContact CE2-CZ 3.53Å; F123-F212 AromaticContact CZ-CE2 3.94Å; F123-F212 HydrophobicContact CZ-CE2 3.94Å; F123-F212 HydrophobicContact CZ-CZ 4.2Å; L154-F212 HydrophobicContact CB-CD1 4.4Å; L154-F212 HydrophobicContact CB-CE1 4.11Å; L154-F212 HydrophobicContact CB-CZ 4.31Å; L154-F212 VanDerWaalsContact O-CE1 3.32Å; L154-F212 WeakPolarHBondContact O-CE1 3.4Å; I155-F212 HydrophobicContact CG1-CE1 4.43Å; I155-F212 HydrophobicContact CG1-CZ 4.01Å; R158-F212 HydrophobicContact CB-CD1 3.92Å; I209-F212 HydrophobicContact CG2-CE1 4.34Å; I209-F212 HydrophobicContact CG2-CE2 4.19Å; I209-F212 HydrophobicContact CG2-CZ 3.82Å; W210-F212 PolarHBondContact O-N 2.98Å; F212-L214 HydrophobicContact CB-CD2 4.03Å
213K93Very high86.6Confident91 Ų9169.1 Ų69.140%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-97.6105.5167.7-67.2179.3-174.5170.80107.5R158 P211R158-K213 PolarHBondContact NH1-O 3.31Å; P211-K213 PolarHBondContact O-N 3.29Å
214L92.1Very high85Confident15 Ų1570.6 Ų70.68%0.07935%0.347CS..  trans-85.5150.5176.4-47.5176.9000109.4F92 V94 F119 L154 F212 L248F92-L214 HydrophobicContact CE1-CD1 4.23Å; F92-L214 HydrophobicContact CZ-CD1 4.32Å; V94-L214 HydrophobicContact CB-CD1 4.46Å; V94-L214 HydrophobicContact CG1-CD1 3.8Å; V94-L214 HydrophobicContact CG2-CD1 3.74Å; F119-L214 HydrophobicContact CB-CB 4.39Å; F119-L214 VanDerWaalsContact O-CB 3.3Å; F119-L214 WeakPolarHBondContact O-CB 3.37Å; F119-L214 PolarHBondContact O-N 2.66Å; L154-L214 HydrophobicContact CD2-CD2 3.61Å; F212-L214 HydrophobicContact CB-CD2 4.03Å; L214-L248 HydrophobicContact CB-CB 3.8Å; L214-L248 HydrophobicContact CB-CD1 4.45Å; L214-L248 HydrophobicContact CD1-CB 4.1Å; L214-L248 HydrophobicContact CD1-CD1 3.93Å; L214-L248 HydrophobicContact CG-CB 4.47Å
215S87.9Confident83.4Confident62 Ų6272.7 Ų72.743%0.43437%0.369SS..  trans-105.2155.9-179.9-1670000110L248S215-L248 PolarHBondContact N-O 2.91Å; S215-L248 CarbonylContact O-C 3.51Å; S215-L248 VanDerWaalsContact O-CA 3.25Å; S215-L248 WeakPolarHBondContact O-CA 3.42Å; S215-L248 WeakPolarHBondContact O-CD2 3.29Å; S215-L248 VanDerWaalsContact O-O 3.12Å
216V84.8Confident81.9Confident33 Ų3375.3 Ų75.320%0.240%0.395CS..  trans-113.4141.1171.4178.90000108F119 R218 A220 L228 L248F119-V216 HydrophobicContact CD1-CG2 3.84Å; F119-V216 HydrophobicContact CD2-CG2 3.51Å; F119-V216 HydrophobicContact CE1-CG2 3.74Å; F119-V216 HydrophobicContact CE2-CG2 3.42Å; F119-V216 VanDerWaalsContact CE2-CG2 3.42Å; F119-V216 HydrophobicContact CG-CG2 3.74Å; F119-V216 HydrophobicContact CZ-CG2 3.54Å; V216-R218 PolarHBondContact O-N 2.9Å; V216-A220 HydrophobicContact CG1-CB 3.79Å; V216-L228 HydrophobicContact CG1-CD1 3.71Å; V216-L228 HydrophobicContact CG1-CD2 3.44Å; V216-L228 VanDerWaalsContact CG1-CD2 3.44Å; V216-L228 HydrophobicContact CG1-CG 4.23Å; V216-L248 HydrophobicContact CG2-CD2 3.78Å
217A78.8Confident80.6Confident70 Ų7075 Ų7558%0.57939%0.392SS*.  trans-58.1137173.600000110.4H219 A220A217-H219 PolarHBondContact O-N 3.09Å; A217-H219 VanDerWaalsContact O-N 3.11Å; A217-A220 HydrophobicContact CB-CB 4.29Å; A217-A220 WeakPolarHBondContact O-CB 3.46Å; A217-A220 PolarHBondContact O-N 3.31Å; A217-A220 VanDerWaalsContact O-N 3.08Å
218R69.5Low79.6Confident245 Ų24571.2 Ų71.293%0.92537%0.372SS*.THydrogen-bonded Turntrans-57.6-32.2-170.9-66-174.2-159.3-179.47.3113.5V216V216-R218 PolarHBondContact O-N 2.9Å
219H72.5Confident78.6Confident181 Ų18176.2 Ų76.284%0.83839%0.394SS*.THydrogen-bonded Turntrans-105.316.3-177.4-58.3-67.9000113.7A217 A221A217-H219 PolarHBondContact O-N 3.09Å; A217-H219 VanDerWaalsContact O-N 3.11Å; H219-A221 PolarHBondContact O-N 2.92Å
220A75.9Confident77.5Confident20 Ų2080.5 Ų80.517%0.16542%0.417CS..  trans-64.3129.2-178.600000111.4V216 A217 L228V216-A220 HydrophobicContact CG1-CB 3.79Å; A217-A220 HydrophobicContact CB-CB 4.29Å; A217-A220 WeakPolarHBondContact O-CB 3.46Å; A217-A220 PolarHBondContact O-N 3.31Å; A217-A220 VanDerWaalsContact O-N 3.08Å; A220-L228 HydrophobicContact CB-CD1 3.63Å; A220-L228 HydrophobicContact CB-CD2 3.61Å; A220-L228 HydrophobicContact CB-CG 3.74Å
221A70.9Confident76.7Confident44 Ų4478 Ų7836%0.36441%0.408SS..  trans-67.8136.3-174.700000110.7H219 L228 K229H219-A221 PolarHBondContact O-N 2.92Å; A221-L228 WeakPolarHBondContact O-CA 3.04Å; A221-K229 HydrophobicContact CB-CB 4.31Å; A221-K229 HydrophobicContact CB-CD 3.89Å; A221-K229 HydrophobicContact CB-CG 4.35Å; A221-K229 PolarHBondContact O-N 2.99Å
222R75.5Confident76Confident180 Ų18078 Ų7868%0.67941%0.412SS*.BIsolated β-bridgetrans-108.4141.4176.1-66.8-178.8-173.7173.53.5110.7L227 L228R222-L227 CarbonylContact C-O 3.56Å; R222-L227 WeakPolarHBondContact CA-O 3.29Å; R222-L228 HydrophobicContact CG-CD1 3.99Å
223D68.9Low75.4Confident64 Ų6482.7 Ų82.734%0.34244%0.437SS..  trans-72.6166.9169.9-77.8-36.6000112A225 G226 L227 K229D223-A225 PolarHBondContact O-N 3.24Å; D223-A225 VanDerWaalsContact O-N 3.08Å; D223-G226 WeakPolarHBondContact O-CA 3.19Å; D223-G226 PolarHBondContact O-N 3.25Å; D223-L227 HydrophobicContact CB-CB 4.47Å; D223-L227 PolarHBondContact N-O 2.89Å; D223-K229 WeakPolarHBondContact OD1-CE 3.48Å; D223-K229 WeakPolarHBondContact OD1-CG 3.24Å
224K61Low75.3Confident229 Ų22979.4 Ų79.4100%0.99643%0.425SS*.THydrogen-bonded Turntrans-53.9-27.8170.9-65.6-177.3179.8-1800112.5G226K224-G226 VanDerWaalsContact C-N 3.28Å; K224-G226 PolarHBondContact O-N 2.93Å
225A59.6Low75.2Confident85 Ų8578.8 Ų78.870%0.70242%0.423SS*.THydrogen-bonded Turntrans-821.8175.200000114.3D223 L227D223-A225 PolarHBondContact O-N 3.24Å; D223-A225 VanDerWaalsContact O-N 3.08Å; A225-L227 PolarHBondContact O-N 3.42Å
226G64.1Low75.4Confident54 Ų5479.2 Ų79.256%0.55742%0.424SS*.SBendtrans75.48.7-177.800000114.7D223 K224D223-G226 WeakPolarHBondContact O-CA 3.19Å; D223-G226 PolarHBondContact O-N 3.25Å; K224-G226 VanDerWaalsContact C-N 3.28Å; K224-G226 PolarHBondContact O-N 2.93Å
227L69.1Low75.6Confident6 Ų681 Ų813%0.03143%0.427CS..  trans-82.7148.3177.6-168.859000110.5I96 R97 R222 D223 A225 K229 G232I96-L227 HydrophobicContact CB-CD1 4.41Å; I96-L227 HydrophobicContact CG2-CD1 3.29Å; R97-L227 HydrophobicContact CG-CD1 4.28Å; R222-L227 CarbonylContact C-O 3.56Å; R222-L227 WeakPolarHBondContact CA-O 3.29Å; D223-L227 HydrophobicContact CB-CB 4.47Å; D223-L227 PolarHBondContact N-O 2.89Å; A225-L227 PolarHBondContact O-N 3.42Å; L227-K229 PolarHBondContact O-N 3.28Å; L227-G232 VanDerWaalsContact CD2-C 3.44Å; L227-G232 WeakPolarHBondContact CD2-O 3.5Å; L227-G232 WeakPolarHBondContact CG-O 3.5Å
228L73.1Confident76.1Confident12 Ų1278.9 Ų78.96%0.06341%0.412CS..BIsolated β-bridgetrans-71.2122.8172.3-135.472.4000109.1V216 A220 A221 R222 D230 I231 G232V216-L228 HydrophobicContact CG1-CD1 3.71Å; V216-L228 HydrophobicContact CG1-CD2 3.44Å; V216-L228 VanDerWaalsContact CG1-CD2 3.44Å; V216-L228 HydrophobicContact CG1-CG 4.23Å; A220-L228 HydrophobicContact CB-CD1 3.63Å; A220-L228 HydrophobicContact CB-CD2 3.61Å; A220-L228 HydrophobicContact CB-CG 3.74Å; A221-L228 WeakPolarHBondContact O-CA 3.04Å; R222-L228 HydrophobicContact CG-CD1 3.99Å; L228-D230 PolarHBondContact O-N 3.44Å; L228-I231 HydrophobicContact CB-CB 4.03Å; L228-I231 HydrophobicContact CB-CD1 3.59Å; L228-I231 HydrophobicContact CB-CG1 3.82Å; L228-I231 HydrophobicContact CD2-CD1 3.45Å; L228-I231 VanDerWaalsContact CD2-CD1 3.45Å; L228-I231 HydrophobicContact CD2-CG1 3.8Å; L228-I231 HydrophobicContact CG-CD1 4.17Å; L228-I231 HydrophobicContact CG-CG1 4.45Å; L228-I231 PolarHBondContact O-N 2.92Å; L228-I231 VanDerWaalsContact O-N 3.12Å; L228-G232 PolarHBondContact O-N 3Å
229K72.5Confident77.1Confident120 Ų12071.9 Ų71.952%0.52240%0.397SS..THydrogen-bonded Turntrans-51.8-44.4179.4-82.3-175.1-179.7-175.60111.3A221 D223 L227 I231 G232A221-K229 HydrophobicContact CB-CB 4.31Å; A221-K229 HydrophobicContact CB-CD 3.89Å; A221-K229 HydrophobicContact CB-CG 4.35Å; A221-K229 PolarHBondContact O-N 2.99Å; D223-K229 WeakPolarHBondContact OD1-CE 3.48Å; D223-K229 WeakPolarHBondContact OD1-CG 3.24Å; L227-K229 PolarHBondContact O-N 3.28Å; K229-I231 VanDerWaalsContact C-N 3.32Å; K229-I231 PolarHBondContact O-N 2.93Å; K229-G232 PolarHBondContact O-N 3.49Å
230D71.9Confident78Confident96 Ų9668 Ų6851%0.51338%0.382SS..THydrogen-bonded Turntrans-71.3-25.2-174.8-48.9-34.9000113.5L228 Q247L228-D230 PolarHBondContact O-N 3.44Å; D230-Q247 PolarHBondContact O-OE1 3.48Å
231I77.9Confident78.8Confident6 Ų667 Ų673%0.03137%0.374CS..THydrogen-bonded Turntrans-86.5-31.6177.5-62.2171.8000110.6I96 F119 L228 K229 R237 I244 L248I96-I231 HydrophobicContact CD1-CG2 3.44Å; I96-I231 VanDerWaalsContact CD1-CG2 3.44Å; I96-I231 HydrophobicContact CG1-CG2 4.02Å; I96-I231 HydrophobicContact CG2-CG2 4.02Å; F119-I231 HydrophobicContact CE1-CD1 3.8Å; L228-I231 HydrophobicContact CB-CB 4.03Å; L228-I231 HydrophobicContact CB-CD1 3.59Å; L228-I231 HydrophobicContact CB-CG1 3.82Å; L228-I231 HydrophobicContact CD2-CD1 3.45Å; L228-I231 VanDerWaalsContact CD2-CD1 3.45Å; L228-I231 HydrophobicContact CD2-CG1 3.8Å; L228-I231 HydrophobicContact CG-CD1 4.17Å; L228-I231 HydrophobicContact CG-CG1 4.45Å; L228-I231 PolarHBondContact O-N 2.92Å; L228-I231 VanDerWaalsContact O-N 3.12Å; K229-I231 VanDerWaalsContact C-N 3.32Å; K229-I231 PolarHBondContact O-N 2.93Å; I231-R237 PolarHBondContact O-NH2 3.25Å; I231-I244 HydrophobicContact CG2-CD1 4.17Å; I231-I244 HydrophobicContact CG2-CG1 4.36Å; I231-I244 HydrophobicContact CG2-CG2 4.18Å; I231-L248 HydrophobicContact CD1-CD1 4.2Å; I231-L248 HydrophobicContact CD1-CD2 3.77Å; I231-L248 HydrophobicContact CD1-CG 4.3Å
232G80.9Confident79.8Confident21 Ų2165.7 Ų65.722%0.21636%0.361CS..  trans64.2-161-175.800000113.6L227 L228 K229L227-G232 VanDerWaalsContact CD2-C 3.44Å; L227-G232 WeakPolarHBondContact CD2-O 3.5Å; L227-G232 WeakPolarHBondContact CG-O 3.5Å; L228-G232 PolarHBondContact O-N 3Å; K229-G232 PolarHBondContact O-N 3.49Å
233N84.4Confident80.6Confident102 Ų10260 Ų6055%0.54535%0.349SS..  trans-66.5147.9-170.6-73.1-43.8000115.9R97 R237R97-N233 PolarHBondContact NH2-OD1 2.9Å; N233-R237 PolarHBondContact O-NE 2.92Å; N233-R237 PolarHBondContact O-NH2 3.48Å
234P89.3Confident81.5Confident22 Ų2257.2 Ų57.214%0.14333%0.334CS..  trans-63.1161.6167.3-22.836.5000112.1R97 E138 P139R97-P234 HydrophobicContact CG-CG 3.74Å; R97-P234 VanDerWaalsContact NE-CG 3.28Å; R97-P234 VanDerWaalsContact NH2-CD 3.34Å; E138-P234 WeakPolarHBondContact O-CB 3.29Å; P139-P234 WeakPolarHBondContact O-CG 3.46Å
235G90.7Very high83Confident3 Ų346.3 Ų46.33%0.03129%0.286CS..EExtended strand (participates in β ladder)trans128-171.2176.600000114.8E138 V141 A142 W143 R237E138-G235 PolarHBondContact O-N 2.94Å; V141-G235 PolarHBondContact O-N 3.28Å; A142-G235 VanDerWaalsContact CA-O 3.32Å; A142-G235 WeakPolarHBondContact CA-O 3.49Å; W143-G235 PolarHBondContact N-O 2.86Å; W143-G235 VanDerWaalsContact N-O 3.07Å; G235-R237 PolarHBondContact O-N 3.49Å
236P91.1Very high84.5Confident70 Ų7048.4 Ų48.446%0.45528%0.276SS..EExtended strand (participates in β ladder)trans-66.9125.1175.427.7-33.2000110.2E138 W143E138-P236 WeakPolarHBondContact OE1-CD 3.43Å; W143-P236 HydrophobicContact CH2-CB 4.01Å; W143-P236 HydrophobicContact CZ2-CB 3.65Å; W143-P236 WeakPolarHBondContact O-CA 3.41Å
237R90.2Very high85.5Confident71 Ų7150.4 Ų50.427%0.26827%0.271SS..EExtended strand (participates in β ladder)trans-111.8-3.9178.8-63-55.2-161.9138.413.9113.7A142 W143 I231 N233 G235 T239 D240 I241 I244A142-R237 HydrophobicContact CB-CG 4.12Å; W143-R237 PolarHBondContact O-N 3.28Å; I231-R237 PolarHBondContact O-NH2 3.25Å; N233-R237 PolarHBondContact O-NE 2.92Å; N233-R237 PolarHBondContact O-NH2 3.48Å; G235-R237 PolarHBondContact O-N 3.49Å; R237-T239 PolarHBondContact O-N 2.99Å; R237-T239 VanDerWaalsContact O-N 3.16Å; R237-D240 HydrophobicContact CB-CB 4.37Å; R237-D240 WeakPolarHBondContact O-CB 3.33Å; R237-D240 PolarHBondContact O-N 2.86Å; R237-I241 HydrophobicContact CB-CB 4.39Å; R237-I244 HydrophobicContact CG-CD1 4.13Å
238G89.4Confident86.3Confident26 Ų2650.3 Ų50.327%0.26827%0.27SS..EExtended strand (participates in β ladder)trans55.3-122.7-176.500000111.3G144 F145G144-G238 CarbonylContact C-O 3.33Å; G144-G238 VanDerWaalsContact CA-O 3.26Å; G144-G238 WeakPolarHBondContact CA-O 3.41Å; F145-G238 PolarHBondContact N-O 3.5Å
239T90.4Very high86.7Confident98 Ų9851.6 Ų51.660%0.60128%0.277SS*.THydrogen-bonded Turntrans-76.2-20.2177.645.30000114.2R237 I241 N242R237-T239 PolarHBondContact O-N 2.99Å; R237-T239 VanDerWaalsContact O-N 3.16Å; T239-I241 PolarHBondContact O-N 3.07Å; T239-N242 WeakPolarHBondContact O-CB 3.38Å; T239-N242 PolarHBondContact O-N 3.47Å; T239-N242 PolarHBondContact O-ND2 2.93Å
240D90.8Very high87.4Confident99 Ų9948.2 Ų48.253%0.52927%0.265SS..THydrogen-bonded Turntrans-72.1-13.3-173.9-59.3-15.6000112.5R237 N242 S243R237-D240 HydrophobicContact CB-CB 4.37Å; R237-D240 WeakPolarHBondContact O-CB 3.33Å; R237-D240 PolarHBondContact O-N 2.86Å; D240-N242 PolarHBondContact O-N 3.2Å; D240-S243 PolarHBondContact O-N 2.87Å; D240-S243 PolarHBondContact O-OG 2.9Å
241I92.4Very high88.2Confident0 Ų045.7 Ų45.70%025%0.252CS..Hα-helixtrans-54-27.9171.1-164.662.8000111.8F92 A142 F145 R237 T239 S243 I244 I245F92-I241 HydrophobicContact CD1-CG1 4.28Å; A142-I241 HydrophobicContact CB-CD1 4.4Å; F145-I241 WeakPolarHBondContact O-CG2 3.49Å; R237-I241 HydrophobicContact CB-CB 4.39Å; T239-I241 PolarHBondContact O-N 3.07Å; I241-S243 VanDerWaalsContact C-N 3.31Å; I241-S243 PolarHBondContact O-N 3.21Å; I241-I244 HydrophobicContact CD1-CB 4.46Å; I241-I244 HydrophobicContact CD1-CD1 4.31Å; I241-I244 PolarHBondContact O-N 3.38Å; I241-I245 HydrophobicContact CG1-CD1 4.23Å; I241-I245 HydrophobicContact CG1-CG1 4.43Å; I241-I245 VanDerWaalsContact O-CG1 3.27Å; I241-I245 WeakPolarHBondContact O-CG1 3.2Å; I241-I245 PolarHBondContact O-N 3.23Å
242N93.4Very high88.8Confident15 Ų1547.9 Ų47.98%0.0826%0.264CS..Hα-helixtrans-66.3-31.2179.2-67.1-65000112.6F145 P146 N147 S150 T239 D240 R246F145-N242 PolarHBondContact O-ND2 3.35Å; F145-N242 VanDerWaalsContact O-ND2 3.13Å; P146-N242 WeakPolarHBondContact CA-OD1 3.47Å; N147-N242 PolarHBondContact N-OD1 2.97Å; N147-N242 PolarHBondContact ND2-OD1 3.41Å; S150-N242 WeakPolarHBondContact CB-OD1 3.5Å; S150-N242 PolarHBondContact OG-OD1 3.48Å; T239-N242 WeakPolarHBondContact O-CB 3.38Å; T239-N242 PolarHBondContact O-N 3.47Å; T239-N242 PolarHBondContact O-ND2 2.93Å; D240-N242 PolarHBondContact O-N 3.2Å; N242-R246 VanDerWaalsContact O-CG 3.26Å; N242-R246 WeakPolarHBondContact O-CG 3.43Å; N242-R246 PolarHBondContact O-N 2.82Å; N242-R246 VanDerWaalsContact O-N 3.12Å
243S91.2Very high89.3Confident61 Ų6149.5 Ų49.543%0.42727%0.267SS..Hα-helixtrans-70.3-42.9174.284.60000110.4D240 I241 I245 R246 Q247D240-S243 PolarHBondContact O-N 2.87Å; D240-S243 PolarHBondContact O-OG 2.9Å; I241-S243 VanDerWaalsContact C-N 3.31Å; I241-S243 PolarHBondContact O-N 3.21Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.3Å; S243-R246 PolarHBondContact O-N 3.41Å; S243-R246 VanDerWaalsContact O-N 3.16Å; S243-Q247 WeakPolarHBondContact O-CG 3.42Å; S243-Q247 PolarHBondContact O-N 3.34Å
244I89.1Confident89.6Confident5 Ų546.2 Ų46.23%0.02625%0.25CC..Hα-helixtrans-61.1-43.4176.9-62.7173.6000110.6A142 I231 R237 I241 R246 Q247 L248A142-I244 HydrophobicContact CB-CD1 4.43Å; I231-I244 HydrophobicContact CG2-CD1 4.17Å; I231-I244 HydrophobicContact CG2-CG1 4.36Å; I231-I244 HydrophobicContact CG2-CG2 4.18Å; R237-I244 HydrophobicContact CG-CD1 4.13Å; I241-I244 HydrophobicContact CD1-CB 4.46Å; I241-I244 HydrophobicContact CD1-CD1 4.31Å; I241-I244 PolarHBondContact O-N 3.38Å; I244-R246 PolarHBondContact O-N 3Å; I244-Q247 PolarHBondContact O-N 3.42Å; I244-L248 HydrophobicContact CG2-CD1 3.63Å; I244-L248 HydrophobicContact CG2-CG 4.32Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 VanDerWaalsContact O-CG 3.26Å; I244-L248 WeakPolarHBondContact O-CG 3.29Å; I244-L248 PolarHBondContact O-N 3.39Å; I244-L248 VanDerWaalsContact O-N 3.08Å
245I91.6Very high89.6Confident0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-58.6-49.6175.5-69.5165.4000109.8F92 P146 L154 I241 S243 Q247 L248 N249F92-I245 HydrophobicContact CB-CD1 4.34Å; F92-I245 HydrophobicContact CD1-CD1 3.48Å; F92-I245 VanDerWaalsContact CD1-CD1 3.48Å; F92-I245 HydrophobicContact CD1-CG1 3.59Å; F92-I245 HydrophobicContact CE1-CD1 3.93Å; F92-I245 HydrophobicContact CE1-CG1 3.58Å; F92-I245 HydrophobicContact CG-CD1 4.06Å; P146-I245 HydrophobicContact CB-CD1 4.16Å; L154-I245 HydrophobicContact CD1-CD1 4.18Å; L154-I245 HydrophobicContact CD1-CG1 4.36Å; L154-I245 HydrophobicContact CD1-CG2 3.76Å; L154-I245 HydrophobicContact CD2-CG2 3.99Å; L154-I245 HydrophobicContact CG-CG2 3.73Å; I241-I245 HydrophobicContact CG1-CD1 4.23Å; I241-I245 HydrophobicContact CG1-CG1 4.43Å; I241-I245 VanDerWaalsContact O-CG1 3.27Å; I241-I245 WeakPolarHBondContact O-CG1 3.2Å; I241-I245 PolarHBondContact O-N 3.23Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.3Å; I245-Q247 VanDerWaalsContact C-N 3.33Å; I245-Q247 PolarHBondContact O-N 3.41Å; I245-L248 PolarHBondContact O-N 2.76Å; I245-N249 WeakPolarHBondContact O-CB 3.47Å; I245-N249 PolarHBondContact O-N 3.43Å
246R90.1Very high89.5Confident129 Ų12951 Ų5149%0.48727%0.273SS..Hα-helixtrans-63.4-36.7-178.4-72171.2-175.1175.73113.2N242 S243 I244 L248N242-R246 VanDerWaalsContact O-CG 3.26Å; N242-R246 WeakPolarHBondContact O-CG 3.43Å; N242-R246 PolarHBondContact O-N 2.82Å; N242-R246 VanDerWaalsContact O-N 3.12Å; S243-R246 PolarHBondContact O-N 3.41Å; S243-R246 VanDerWaalsContact O-N 3.16Å; I244-R246 PolarHBondContact O-N 3Å; R246-L248 VanDerWaalsContact C-N 3.35Å
247Q87.1Confident89.4Confident97 Ų9749.5 Ų49.545%0.45326%0.259SS..Hα-helixtrans-69.3-33.1176.8-73.3175.6-8.100112.9D230 S243 I244 I245D230-Q247 PolarHBondContact O-OE1 3.48Å; S243-Q247 WeakPolarHBondContact O-CG 3.42Å; S243-Q247 PolarHBondContact O-N 3.34Å; I244-Q247 PolarHBondContact O-N 3.42Å; I245-Q247 VanDerWaalsContact C-N 3.33Å; I245-Q247 PolarHBondContact O-N 3.41Å
248L85.4Confident89.3Confident3 Ų347.8 Ų47.82%0.01626%0.258CS..Hα-helixtrans-96.8-10.3-175.2-64.8177.7000114V94 F119 L214 S215 V216 I231 I244 I245 R246V94-L248 HydrophobicContact CG1-CD1 4.17Å; F119-L248 HydrophobicContact CD1-CD1 4.32Å; F119-L248 HydrophobicContact CD1-CD2 4.29Å; L214-L248 HydrophobicContact CB-CB 3.8Å; L214-L248 HydrophobicContact CB-CD1 4.45Å; L214-L248 HydrophobicContact CD1-CB 4.1Å; L214-L248 HydrophobicContact CD1-CD1 3.93Å; L214-L248 HydrophobicContact CG-CB 4.47Å; S215-L248 PolarHBondContact N-O 2.91Å; S215-L248 CarbonylContact O-C 3.51Å; S215-L248 VanDerWaalsContact O-CA 3.25Å; S215-L248 WeakPolarHBondContact O-CA 3.42Å; S215-L248 WeakPolarHBondContact O-CD2 3.29Å; S215-L248 VanDerWaalsContact O-O 3.12Å; V216-L248 HydrophobicContact CG2-CD2 3.78Å; I231-L248 HydrophobicContact CD1-CD1 4.2Å; I231-L248 HydrophobicContact CD1-CD2 3.77Å; I231-L248 HydrophobicContact CD1-CG 4.3Å; I244-L248 HydrophobicContact CG2-CD1 3.63Å; I244-L248 HydrophobicContact CG2-CG 4.32Å; I244-L248 WeakPolarHBondContact O-CB 3.46Å; I244-L248 VanDerWaalsContact O-CG 3.26Å; I244-L248 WeakPolarHBondContact O-CG 3.29Å; I244-L248 PolarHBondContact O-N 3.39Å; I244-L248 VanDerWaalsContact O-N 3.08Å; I245-L248 PolarHBondContact O-N 2.76Å; R246-L248 VanDerWaalsContact C-N 3.35Å
249N80.8Confident89.3Confident40 Ų4049.7 Ų49.721%0.21426%0.258CS..  trans-840-177.6-16526.9000112.9E153 R158 I245E153-N249 PolarHBondContact O-ND2 3.22Å; R158-N249 WeakPolarHBondContact CD-OD1 3.32Å; R158-N249 WeakPolarHBondContact CG-OD1 3.41Å; R158-N249 PolarHBondContact NE-OD1 3.42Å; R158-N249 VanDerWaalsContact NE-OD1 3.08Å; R158-N249 PolarHBondContact NE-OXT 3.33Å; R158-N249 PolarHBondContact NH2-OXT 3.25Å; I245-N249 WeakPolarHBondContact O-CB 3.47Å; I245-N249 PolarHBondContact O-N 3.43Å

Retrieved 249 of 249 residues in 1635.9 ms (Link to these results)