A0A087YEZ9_POEFO Loading...

Zinc finger, HIT-type containing 1

AlphaFold DB (A0A3B5Q2J2), UniProt , Accession A0A087YEZ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.2Very low43.8Very low238 Ų238164.4 Ų164.4100%1.17287%0.865SS**  0102.10-65.2175.6-177.800107.3L3M1-L3 PolarHBondContact O-N 3.43Å
2V40.9Very low44.1Very low141 Ų141158.2 Ų158.286%0.85583%0.828SS**  trans-82.8113.6-179177.50000107.4E4V2-E4 PolarHBondContact O-N 3.39Å
3L40.5Very low44.2Very low167 Ų167154.8 Ų154.887%0.87484%0.837SS**  trans-67.697.9174.8-77.7150.8000108.9M1 K5M1-L3 PolarHBondContact O-N 3.43Å; L3-K5 PolarHBondContact O-N 2.55Å
4E41.5Very low44.4Very low180 Ų180148.9 Ų148.984%0.84183%0.83SS**  trans-62106.3163.5-81.5178.5100.300108.6V2 K6V2-E4 PolarHBondContact O-N 3.39Å; E4-K6 VanDerWaalsContact C-N 3.3Å; E4-K6 PolarHBondContact O-N 3.08Å
5K41.4Very low45.1Very low202 Ų202148.5 Ų148.588%0.87882%0.819SS**  trans-62.594.2166.6-85.8173.2171.6174.20108.2L3 S7L3-K5 PolarHBondContact O-N 2.55Å; K5-S7 PolarHBondContact O-N 2.97Å
6K47.5Very low46.2Very low197 Ų197145.8 Ų145.886%0.85779%0.793SS**  trans-58.1104.7161.9-93.5158.8171.9165.90107.7E4 S8E4-K6 VanDerWaalsContact C-N 3.3Å; E4-K6 PolarHBondContact O-N 3.08Å; K6-S8 PolarHBondContact O-N 3.28Å
7S42.6Very low47.7Very low106 Ų106149.2 Ų149.274%0.74179%0.792SS**  trans-63.5119.2169.345.20000108.3K5 A9K5-S7 PolarHBondContact O-N 2.97Å; S7-A9 PolarHBondContact O-N 3.33Å; S7-A9 VanDerWaalsContact O-N 3.15Å
8S44.8Very low49.1Very low109 Ų109146.7 Ų146.776%0.76278%0.782SS**  trans-52.7115.4-176.3-59.20000111.6K6 R10K6-S8 PolarHBondContact O-N 3.28Å; S8-R10 PolarHBondContact O-N 3.09Å
9A52.1Low50.5Low111 Ų111140.3 Ų140.392%0.91775%0.748SS**THydrogen-bonded Turntrans-73.425.8-176.900000114.7S7S7-A9 PolarHBondContact O-N 3.33Å; S7-A9 VanDerWaalsContact O-N 3.15Å
10R44Very low52.2Low238 Ų238137.5 Ų137.590%0.89873%0.733SS**THydrogen-bonded Turntrans-119.913.4-167.2-142.6176.9-174.3169.41.5116.1S8S8-R10 PolarHBondContact O-N 3.09Å
11V49.2Very low53.5Low119 Ų119136.2 Ų136.272%0.72172%0.723SS**SBendtrans-119.8121.4170.5-165.60000108
12E47.3Very low55.8Low90 Ų90126.8 Ų126.842%0.42168%0.683SS.*  trans91.341.3168.6-46.6-147.7147.400121G14 Q15 R16E12-G14 PolarHBondContact O-N 3.15Å; E12-Q15 PolarHBondContact OE1-OE1 2.92Å; E12-R16 IonicContact OE2-NE 3.72Å; E12-R16 IonicContact OE2-NH2 3.51Å
13A45.3Very low57.8Low114 Ų114122 Ų12294%0.94265%0.654SS**SBendtrans-70.7-14.9161.900000113.2
14G47.2Very low59.8Low72 Ų72116.2 Ų116.274%0.74262%0.621SS**SBendtrans-99.8-11.7-169.600000117.9E12E12-G14 PolarHBondContact O-N 3.15Å
15Q54.5Low61.8Low143 Ų143112.9 Ų112.967%0.66861%0.605SS**SBendtrans-115.4-1-169.5-79.3178.9-27.800115.2E12 R17E12-Q15 PolarHBondContact OE1-OE1 2.92Å; Q15-R17 VanDerWaalsContact C-N 3.31Å; Q15-R17 PolarHBondContact O-N 3.33Å; Q15-R17 VanDerWaalsContact O-N 3.09Å
16R62.9Low63.9Low105 Ų105112.1 Ų112.140%0.39660%0.597SS.*  trans-94.162.4-173.5-62.1179.6-176.3-1681.1111.1E12 V18E12-R16 IonicContact OE2-NE 3.72Å; E12-R16 IonicContact OE2-NH2 3.51Å; R16-V18 PolarHBondContact O-N 3.48Å
17R71.4Confident65.7Low205 Ų205106.1 Ų106.177%0.77457%0.569SS**PPolyproline II helixtrans-64.4124.6170.8-68.5-173.8-178.1-169.60.7108.6Q15 L19Q15-R17 VanDerWaalsContact C-N 3.31Å; Q15-R17 PolarHBondContact O-N 3.33Å; Q15-R17 VanDerWaalsContact O-N 3.09Å; R17-L19 PolarHBondContact O-N 2.95Å
18V73.5Confident67.6Low103 Ų103105.5 Ų105.562%0.62456%0.557SS**PPolyproline II helixtrans-67.9116.9168.3-179.10000106.3R16R16-V18 PolarHBondContact O-N 3.48Å
19L76.1Confident69.5Low26 Ų26103.7 Ų103.714%0.13654%0.541CS..PPolyproline II helixtrans-80.9144.5172.3-62.4179.8000108.8R17 T23 R24 T132 L152R17-L19 PolarHBondContact O-N 2.95Å; L19-T23 HydrophobicContact CD1-CG2 4.35Å; L19-T23 HydrophobicContact CD2-CG2 4.02Å; L19-R24 HydrophobicContact CB-CG 4.17Å; L19-R24 PolarHBondContact O-NH1 3.19Å; L19-R24 PolarHBondContact O-NH2 3.34Å; L19-T132 WeakPolarHBondContact CD1-O 3.01Å; L19-T132 WeakPolarHBondContact CG-O 3.47Å; L19-L152 HydrophobicContact CD1-CD2 4.39Å
20D83.2Confident71.2Confident84 Ų84104.6 Ų104.645%0.44952%0.521SS..PPolyproline II helixtrans-74.2165.1167.364.8-62.3000110.5A22 T23 R24D20-A22 PolarHBondContact O-N 3.4Å; D20-A22 WeakPolarHBondContact OD2-CB 3.44Å; D20-A22 PolarHBondContact OD2-N 3.46Å; D20-T23 PolarHBondContact O-N 3.39Å; D20-T23 WeakPolarHBondContact OD1-CB 3.03Å; D20-T23 PolarHBondContact OD1-OG1 3.33Å; D20-T23 PolarHBondContact OD2-N 3.48Å; D20-T23 VanDerWaalsContact OD2-N 3.08Å; D20-T23 PolarHBondContact OD2-OG1 3.44Å; D20-R24 PolarHBondContact O-N 3.27Å
21E80.6Confident73Confident110 Ų11095.4 Ų95.451%0.51449%0.488SS..Hα-helixtrans-66.7-37.1-175.6-167.357-156.800112.7T23 R24 Q25E21-T23 PolarHBondContact O-N 2.73Å; E21-R24 WeakPolarHBondContact O-CB 3.41Å; E21-R24 PolarHBondContact O-N 3.04Å; E21-R24 IonicContact OE2-CZ 3.95Å; E21-R24 IonicContact OE2-NE 3.04Å; E21-R24 PolarHBondContact OE2-NE 2.87Å; E21-R24 IonicContact OE2-NH2 3.96Å; E21-Q25 WeakPolarHBondContact O-CG 3.42Å; E21-Q25 PolarHBondContact O-N 2.79Å
22A85.8Confident74.6Confident41 Ų4194.1 Ų94.134%0.33948%0.476SS..Hα-helixtrans-65.7-41.1178.100000111.1D20 R24 Q25 R26D20-A22 PolarHBondContact O-N 3.4Å; D20-A22 WeakPolarHBondContact OD2-CB 3.44Å; D20-A22 PolarHBondContact OD2-N 3.46Å; A22-R24 VanDerWaalsContact C-N 3.32Å; A22-R24 PolarHBondContact O-N 2.98Å; A22-Q25 PolarHBondContact O-N 3.07Å; A22-R26 VanDerWaalsContact O-CG 3.31Å; A22-R26 WeakPolarHBondContact O-CG 3.49Å; A22-R26 PolarHBondContact O-N 3.18Å
23T83.3Confident76.4Confident39 Ų3994.2 Ų94.224%0.23948%0.477CS..Hα-helixtrans-64.4-36.2173.9-61.60000112.5L19 D20 E21 R27L19-T23 HydrophobicContact CD1-CG2 4.35Å; L19-T23 HydrophobicContact CD2-CG2 4.02Å; D20-T23 PolarHBondContact O-N 3.39Å; D20-T23 WeakPolarHBondContact OD1-CB 3.03Å; D20-T23 PolarHBondContact OD1-OG1 3.33Å; D20-T23 PolarHBondContact OD2-N 3.48Å; D20-T23 VanDerWaalsContact OD2-N 3.08Å; D20-T23 PolarHBondContact OD2-OG1 3.44Å; E21-T23 PolarHBondContact O-N 2.73Å; T23-R27 WeakPolarHBondContact O-CG 3.32Å; T23-R27 PolarHBondContact O-N 2.96Å
24R82.5Confident78.3Confident47 Ų4791 Ų9118%0.17745%0.45CS..Hα-helixtrans-62.3-47.8173.4-76.3-170.2-103.5-86.3-1111.9L19 D20 E21 A22 R27 L28 T131 T132 C133L19-R24 HydrophobicContact CB-CG 4.17Å; L19-R24 PolarHBondContact O-NH1 3.19Å; L19-R24 PolarHBondContact O-NH2 3.34Å; D20-R24 PolarHBondContact O-N 3.27Å; E21-R24 WeakPolarHBondContact O-CB 3.41Å; E21-R24 PolarHBondContact O-N 3.04Å; E21-R24 IonicContact OE2-CZ 3.95Å; E21-R24 IonicContact OE2-NE 3.04Å; E21-R24 PolarHBondContact OE2-NE 2.87Å; E21-R24 IonicContact OE2-NH2 3.96Å; A22-R24 VanDerWaalsContact C-N 3.32Å; A22-R24 PolarHBondContact O-N 2.98Å; R24-R27 PolarHBondContact O-N 3.02Å; R24-L28 PolarHBondContact O-N 2.98Å; R24-T131 PolarHBondContact NH1-O 2.65Å; R24-T132 PolarHBondContact NH1-O 2.96Å; R24-C133 WeakPolarHBondContact CD-O 3.31Å
25Q83.3Confident80Confident110 Ų11091.8 Ų91.851%0.51444%0.437SS..Hα-helixtrans-60.5-46.3178.3-72178.4-11.700111.8E21 A22 R27 L28 T29E21-Q25 WeakPolarHBondContact O-CG 3.42Å; E21-Q25 PolarHBondContact O-N 2.79Å; A22-Q25 PolarHBondContact O-N 3.07Å; Q25-R27 VanDerWaalsContact C-N 3.28Å; Q25-R27 PolarHBondContact O-N 2.87Å; Q25-L28 WeakPolarHBondContact O-CB 3.37Å; Q25-L28 PolarHBondContact O-N 2.93Å; Q25-L28 VanDerWaalsContact O-N 3.09Å; Q25-T29 PolarHBondContact O-N 3.4Å; Q25-T29 PolarHBondContact O-OG1 3.19Å
26R85.9Confident81.2Confident185 Ų18590.6 Ų90.670%0.69843%0.431SS*.Hα-helixtrans-57.2-40.7177.1-72.2174-172-179.72.8112.8A22 R30A22-R26 VanDerWaalsContact O-CG 3.31Å; A22-R26 WeakPolarHBondContact O-CG 3.49Å; A22-R26 PolarHBondContact O-N 3.18Å; R26-R30 WeakPolarHBondContact O-CB 3.47Å; R26-R30 PolarHBondContact O-N 3.24Å; R26-R30 VanDerWaalsContact O-N 3.08Å
27R83.4Confident81.9Confident71 Ų7192.5 Ų92.527%0.26844%0.443SS..Hα-helixtrans-66.9-40.7176.7-73.4173.6177.7-111.95112T23 R24 Q25 R30 Q31 T155T23-R27 WeakPolarHBondContact O-CG 3.32Å; T23-R27 PolarHBondContact O-N 2.96Å; R24-R27 PolarHBondContact O-N 3.02Å; Q25-R27 VanDerWaalsContact C-N 3.28Å; Q25-R27 PolarHBondContact O-N 2.87Å; R27-R30 PolarHBondContact O-N 2.87Å; R27-Q31 PolarHBondContact O-N 3.45Å; R27-T155 PolarHBondContact NH1-O 3.19Å
28L82.6Confident82Confident93 Ų9388.3 Ų88.349%0.48744%0.436SS..Hα-helixtrans-60.3-49.4175.3-175.681.3000110.9R24 Q25 R30 Q31 L32R24-L28 PolarHBondContact O-N 2.98Å; Q25-L28 WeakPolarHBondContact O-CB 3.37Å; Q25-L28 PolarHBondContact O-N 2.93Å; Q25-L28 VanDerWaalsContact O-N 3.09Å; L28-R30 PolarHBondContact O-N 3.09Å; L28-Q31 WeakPolarHBondContact O-CB 3.44Å; L28-Q31 PolarHBondContact O-N 3.32Å; L28-Q31 VanDerWaalsContact O-N 3.13Å; L28-L32 PolarHBondContact O-N 3.09Å
29T86.6Confident81.8Confident71 Ų7189.8 Ų89.844%0.43644%0.44SS..Hα-helixtrans-58.9-46.9178.8-52.50000111.5Q25 Q31 L32 E33Q25-T29 PolarHBondContact O-N 3.4Å; Q25-T29 PolarHBondContact O-OG1 3.19Å; T29-Q31 PolarHBondContact O-N 3.04Å; T29-L32 WeakPolarHBondContact O-CB 3.36Å; T29-L32 PolarHBondContact O-N 3.28Å; T29-L32 VanDerWaalsContact O-N 3.09Å; T29-E33 WeakPolarHBondContact O-CG 3.25Å; T29-E33 PolarHBondContact O-N 3.27Å
30R86Confident81.1Confident131 Ų13194.2 Ų94.249%0.49446%0.458SS..Hα-helixtrans-59.9-34.5176.9176.4169.8156.3-97.4-4.9113R26 R27 L28 A34 L156R26-R30 WeakPolarHBondContact O-CB 3.47Å; R26-R30 PolarHBondContact O-N 3.24Å; R26-R30 VanDerWaalsContact O-N 3.08Å; R27-R30 PolarHBondContact O-N 2.87Å; L28-R30 PolarHBondContact O-N 3.09Å; R30-A34 WeakPolarHBondContact O-CB 3.42Å; R30-A34 PolarHBondContact O-N 2.94Å; R30-L156 PolarHBondContact NH1-OXT 3.13Å; R30-L156 PolarHBondContact NH2-OXT 3.01Å
31Q82.1Confident80.1Confident45 Ų4598 Ų9821%0.2147%0.473CS..Hα-helixtrans-68.2-44.7174.5-173.4-166.1-2.600111.3R27 L28 T29 E33 A34 L35 W154R27-Q31 PolarHBondContact O-N 3.45Å; L28-Q31 WeakPolarHBondContact O-CB 3.44Å; L28-Q31 PolarHBondContact O-N 3.32Å; L28-Q31 VanDerWaalsContact O-N 3.13Å; T29-Q31 PolarHBondContact O-N 3.04Å; Q31-E33 VanDerWaalsContact C-N 3.31Å; Q31-E33 PolarHBondContact O-N 3.49Å; Q31-A34 PolarHBondContact O-N 3.13Å; Q31-A34 VanDerWaalsContact O-N 3.16Å; Q31-L35 HydrophobicContact CG-CD1 4.39Å; Q31-L35 WeakPolarHBondContact O-CG 3.47Å; Q31-L35 PolarHBondContact O-N 2.99Å; Q31-W154 VanDerWaalsContact CG-O 3.22Å; Q31-W154 WeakPolarHBondContact CG-O 3.25Å; Q31-W154 PolarHBondContact NE2-O 3.39Å; Q31-W154 VanDerWaalsContact NE2-O 3.16Å; Q31-W154 PolarHBondContact OE1-O 3.21Å
32L84.4Confident79Confident91 Ų9198.8 Ų98.848%0.47648%0.481SS..Hα-helixtrans-59.1-45176.3-67.3174.3000110.8L28 T29 A34 L35 E36L28-L32 PolarHBondContact O-N 3.09Å; T29-L32 WeakPolarHBondContact O-CB 3.36Å; T29-L32 PolarHBondContact O-N 3.28Å; T29-L32 VanDerWaalsContact O-N 3.09Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.23Å; L32-L35 PolarHBondContact O-N 3.14Å; L32-E36 WeakPolarHBondContact O-CB 3.37Å; L32-E36 WeakPolarHBondContact O-CG 3.06Å; L32-E36 PolarHBondContact O-N 3.42Å
33E85.1Confident77.8Confident92 Ų92101.2 Ų101.243%0.4349%0.488SS..Hα-helixtrans-60.5-37175-70.8173.1-16700112.9T29 Q31 K37T29-E33 WeakPolarHBondContact O-CG 3.25Å; T29-E33 PolarHBondContact O-N 3.27Å; Q31-E33 VanDerWaalsContact C-N 3.31Å; Q31-E33 PolarHBondContact O-N 3.49Å; E33-K37 VanDerWaalsContact O-CG 3.29Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 3.33Å
34A83.9Confident76.7Confident46 Ų46104.4 Ų104.438%0.3851%0.51SS..Hα-helixtrans-68.5-44176.600000111.5R30 Q31 L32 E36 K37 D38R30-A34 WeakPolarHBondContact O-CB 3.42Å; R30-A34 PolarHBondContact O-N 2.94Å; Q31-A34 PolarHBondContact O-N 3.13Å; Q31-A34 VanDerWaalsContact O-N 3.16Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.23Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 3.16Å; A34-K37 PolarHBondContact O-N 3.48Å; A34-D38 PolarHBondContact O-N 3.24Å
35L83.3Confident75.7Confident89 Ų89107.4 Ų107.447%0.46653%0.529SS..Hα-helixtrans-63.7-37174.9-69.1173.8000111.8Q31 L32 D38 N39Q31-L35 HydrophobicContact CG-CD1 4.39Å; Q31-L35 WeakPolarHBondContact O-CG 3.47Å; Q31-L35 PolarHBondContact O-N 2.99Å; L32-L35 PolarHBondContact O-N 3.14Å; L35-D38 PolarHBondContact O-N 3.46Å; L35-N39 PolarHBondContact O-N 2.89Å; L35-N39 PolarHBondContact O-ND2 2.95Å
36E78.9Confident74.6Confident118 Ų118105.9 Ų105.955%0.55153%0.53SS*.Hα-helixtrans-61.7-48.3172.6-77.1173.2-177.700110.5L32 A34 D38 N39 F40L32-E36 WeakPolarHBondContact O-CB 3.37Å; L32-E36 WeakPolarHBondContact O-CG 3.06Å; L32-E36 PolarHBondContact O-N 3.42Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 3.16Å; E36-D38 VanDerWaalsContact C-N 3.34Å; E36-D38 PolarHBondContact O-N 3.08Å; E36-N39 WeakPolarHBondContact O-CB 3.49Å; E36-N39 PolarHBondContact O-N 3.06Å; E36-F40 WeakPolarHBondContact O-CD2 3.28Å
37K77.6Confident73.4Confident145 Ų145102 Ų10263%0.6353%0.532SS*.Hα-helixtrans-60.2-39.1177.3-74.2168.8-176.1170.60113.5E33 A34 N39 F40E33-K37 VanDerWaalsContact O-CG 3.29Å; E33-K37 WeakPolarHBondContact O-CG 3.31Å; E33-K37 PolarHBondContact O-N 3.33Å; A34-K37 PolarHBondContact O-N 3.48Å; K37-N39 PolarHBondContact O-N 3.26Å; K37-F40 PolarHBondContact O-N 2.75Å
38D73.4Confident72.2Confident118 Ų118103.2 Ų103.263%0.63154%0.543SS*.Hα-helixtrans-66-25.2179.5-79.9-6.4000113A34 L35 E36 F40A34-D38 PolarHBondContact O-N 3.24Å; L35-D38 PolarHBondContact O-N 3.46Å; E36-D38 VanDerWaalsContact C-N 3.34Å; E36-D38 PolarHBondContact O-N 3.08Å; D38-F40 VanDerWaalsContact C-N 3.27Å; D38-F40 PolarHBondContact O-N 3.06Å
39N69.1Low71.1Confident134 Ų134103.9 Ų103.972%0.71755%0.553SS**Hα-helixtrans-71.2-22.8173.1-74.3-63.3000112.7L35 E36 K37L35-N39 PolarHBondContact O-N 2.89Å; L35-N39 PolarHBondContact O-ND2 2.95Å; E36-N39 WeakPolarHBondContact O-CB 3.49Å; E36-N39 PolarHBondContact O-N 3.06Å; K37-N39 PolarHBondContact O-N 3.26Å
40F61.5Low69.8Low118 Ų118104.3 Ų104.352%0.51856%0.557SS.*  trans-103.974.4-177.5-64.2-77.8000111E36 K37 D38 T87E36-F40 WeakPolarHBondContact O-CD2 3.28Å; K37-F40 PolarHBondContact O-N 2.75Å; D38-F40 VanDerWaalsContact C-N 3.27Å; D38-F40 PolarHBondContact O-N 3.06Å; F40-T87 WeakPolarHBondContact CE1-OG1 3.4Å
41Q62.4Low68.2Low164 Ų164103.2 Ų103.277%0.76657%0.567SS**PPolyproline II helixtrans-91124.1156.1-59.4-143.3-8.600108.3D43Q41-D43 PolarHBondContact O-N 2.88Å
42D58.2Low66.9Low126 Ų126102.9 Ų102.967%0.67458%0.575SS**PPolyproline II helixtrans-50.9130.1165-104.1-64.5000107.9P44D42-P44 VanDerWaalsContact O-CD 3.23Å; D42-P44 WeakPolarHBondContact O-CD 3.45Å
43D60.1Low65.6Low92 Ų92105.7 Ų105.749%0.49260%0.599SS.*PPolyproline II helixtrans-52116.8176.2175.94000107.3Q41 L45 S46Q41-D43 PolarHBondContact O-N 2.88Å; D43-L45 PolarHBondContact O-N 3.49Å; D43-L45 WeakPolarHBondContact OD1-CB 3.4Å; D43-L45 PolarHBondContact OD1-N 3.01Å; D43-S46 WeakPolarHBondContact O-CB 3.46Å; D43-S46 PolarHBondContact O-N 3.39Å
44P60.4Low64.1Low106 Ų106107.1 Ų107.169%0.68861%0.614SS**THydrogen-bonded Turntrans-61-11.6-178.421.8-31.2000112.4D42D42-P44 VanDerWaalsContact O-CD 3.23Å; D42-P44 WeakPolarHBondContact O-CD 3.45Å
45L61Low62.7Low110 Ų110107.7 Ų107.758%0.57662%0.619SS**THydrogen-bonded Turntrans-92.4-6.2173.1-53.7173.1000113.5D43 S47 L48D43-L45 PolarHBondContact O-N 3.49Å; D43-L45 WeakPolarHBondContact OD1-CB 3.4Å; D43-L45 PolarHBondContact OD1-N 3.01Å; L45-S47 VanDerWaalsContact C-N 3.31Å; L45-S47 PolarHBondContact O-N 3.4Å; L45-L48 HydrophobicContact CD2-CD1 3.48Å; L45-L48 VanDerWaalsContact CD2-CD1 3.48Å; L45-L48 PolarHBondContact O-N 3.3Å; L45-L48 VanDerWaalsContact O-N 3.12Å
46S61.5Low61.3Low78 Ų78114.9 Ų114.955%0.54564%0.64SS.*THydrogen-bonded Turntrans-62.9-36.4179.3-174.80000112.2D43 L48D43-S46 WeakPolarHBondContact O-CB 3.46Å; D43-S46 PolarHBondContact O-N 3.39Å; S46-L48 VanDerWaalsContact C-N 3.32Å
47S59.1Low60Low105 Ų105116.6 Ų116.673%0.73465%0.652SS**THydrogen-bonded Turntrans-82.1-7.9176.161.10000113.9L45L45-S47 VanDerWaalsContact C-N 3.31Å; L45-S47 PolarHBondContact O-N 3.4Å
48L59.2Low58.5Low96 Ų96115.8 Ų115.850%0.50366%0.662SS.*SBendtrans-81.9137.2178-66.1-178.5000110L45 S46L45-L48 HydrophobicContact CD2-CD1 3.48Å; L45-L48 VanDerWaalsContact CD2-CD1 3.48Å; L45-L48 PolarHBondContact O-N 3.3Å; L45-L48 VanDerWaalsContact O-N 3.12Å; S46-L48 VanDerWaalsContact C-N 3.32Å
49P59Low57.2Low106 Ų106114.8 Ų114.869%0.68867%0.67SS**PPolyproline II helixtrans-51.3138.4167-21.331.1000109
50P59Low55.7Low81 Ų81118.4 Ų118.453%0.52668%0.68SS.*PPolyproline II helixtrans-50.4134.5175.119.8-29.9000108.8G52P50-G52 PolarHBondContact O-N 3.02Å
51P53.5Low54.8Low108 Ų108117.8 Ų117.870%0.70169%0.69SS**PPolyproline II helixtrans-52.4122-178.714-25.3000108.7A55P51-A55 HydrophobicContact CB-CB 3.43Å; P51-A55 VanDerWaalsContact CB-CB 3.43Å
52G55.2Low53.8Low38 Ų38119.3 Ų119.339%0.39270%0.697SS.*PPolyproline II helixtrans-57166.8174.600000110.4P50 T54 A55P50-G52 PolarHBondContact O-N 3.02Å; G52-T54 PolarHBondContact O-N 2.62Å; G52-A55 PolarHBondContact O-N 3.44Å
53P56.2Low53.1Low149 Ų149119.2 Ų119.297%0.96870%0.701SS**THydrogen-bonded Turntrans-58.7-0.9-175.824.1-33.9000115.1
54T53.5Low52Low122 Ų122123.3 Ų123.375%0.74872%0.718SS**THydrogen-bonded Turntrans-98-7.3179.455.90000114.6G52 R56G52-T54 PolarHBondContact O-N 2.62Å; T54-R56 VanDerWaalsContact C-N 3.33Å; T54-R56 PolarHBondContact O-N 2.68Å
55A54.5Low51Low59 Ų59126.9 Ų126.949%0.48873%0.725SS.*  trans-7389.817400000109.7P51 G52 L57P51-A55 HydrophobicContact CB-CB 3.43Å; P51-A55 VanDerWaalsContact CB-CB 3.43Å; G52-A55 PolarHBondContact O-N 3.44Å; A55-L57 PolarHBondContact O-N 3.05Å
56R53.9Low50.1Low240 Ų240126.9 Ų126.991%0.90673%0.731SS**  trans-67.798.4176.7-64.5-173.9-174.1-134.73109T54T54-R56 VanDerWaalsContact C-N 3.33Å; T54-R56 PolarHBondContact O-N 2.68Å
57L52.5Low49.2Very low153 Ų153131.8 Ų131.880%0.80175%0.746SS**  trans-60.5141.2158.4-64.8174.8000108.1A55 A59A55-L57 PolarHBondContact O-N 3.05Å; L57-A59 PolarHBondContact O-N 3.15Å
58P45.7Very low48.8Very low129 Ų129136.8 Ų136.884%0.83875%0.754SS**  trans-60113.5177.7-19.330.8000109.7F60P58-F60 PolarHBondContact O-N 2.91Å
59A45.5Very low48.2Very low97 Ų97142 Ų14280%0.80277%0.773SS**  trans-78.3109.9175.200000108.4L57 S61L57-A59 PolarHBondContact O-N 3.15Å; A59-S61 PolarHBondContact O-N 2.78Å
60F38.7Very low47.8Very low210 Ų210148 Ų14892%0.92178%0.782SS**  trans-71.8118.4161.9-136.2-95.6000106.8P58 E62P58-F60 PolarHBondContact O-N 2.91Å; F60-E62 PolarHBondContact O-N 3.28Å
61S42.2Very low47.5Very low105 Ų105155 Ų15573%0.73480%0.798SS**  trans-74.4111.3-176.251.50000110.5A59A59-S61 PolarHBondContact O-N 2.78Å
62E41.3Very low47.4Very low195 Ų195158.9 Ų158.991%0.91180%0.804SS**  trans-111.4123.7149.8-87.5-174.3127.900108.1F60F60-E62 PolarHBondContact O-N 3.28Å
63T43Very low47.1Very low125 Ų125163.4 Ų163.477%0.76782%0.824SS**  trans-59.6160.4175.5-49.30000110.4
64E37Very low46.9Very low178 Ų178167.4 Ų167.483%0.83282%0.82SS**  trans118.592.2159.5-43.2-120.1146.800115.4
65E38.9Very low46.6Very low180 Ų180163 Ų16384%0.84180%0.798SS**  trans54.9144.2143.2-67.4-63.4105.500124.6
66P42.1Very low46.3Very low110 Ų110166.1 Ų166.171%0.71481%0.807SS**  trans-99.299.6-168.737.4-28.9000113.6
67E43.1Very low46.2Very low181 Ų181162 Ų16285%0.84680%0.797SS**  trans-93.4134.1163.4-73.1-163.7132.100112.8K69E67-K69 PolarHBondContact O-N 3.04Å
68K51Low46Very low211 Ų211161.2 Ų161.292%0.91779%0.788SS**  trans-50.9101.1-172.9-65167.1-177.5170.90112.4R70K68-R70 PolarHBondContact O-N 3.22Å; K68-R70 VanDerWaalsContact O-N 3.13Å
69K46.2Very low46.4Very low206 Ų206162.1 Ų162.190%0.89678%0.779SS**  trans-75.4102.3175.4-75.7177.1-178.5170.30110.9E67 R71E67-K69 PolarHBondContact O-N 3.04Å; K69-R71 PolarHBondContact O-N 3.43Å
70R50.4Low46.7Very low231 Ų231163 Ų16387%0.87277%0.766SS**  trans-48122.8157.9-68.8173.394.9-175.17.1107.8K68 K72K68-R70 PolarHBondContact O-N 3.22Å; K68-R70 VanDerWaalsContact O-N 3.13Å; R70-K72 VanDerWaalsContact C-N 3.31Å; R70-K72 PolarHBondContact O-N 3.37Å
71R52.6Low47.2Very low229 Ų229162.2 Ų162.286%0.86476%0.757SS**  trans-6092175.9-172.3174.7169.4-176.8-3.8108.6K69 T73K69-R71 PolarHBondContact O-N 3.43Å; R71-T73 VanDerWaalsContact C-N 3.33Å; R71-T73 PolarHBondContact O-N 3.43Å
72K51.8Low47.8Very low188 Ų188164.3 Ų164.382%0.81775%0.753SS**  trans-72.793.4168.4-79.9178.8177.7173.10107R70 R74R70-K72 VanDerWaalsContact C-N 3.31Å; R70-K72 PolarHBondContact O-N 3.37Å; K72-R74 PolarHBondContact O-N 3.41Å
73T49.3Very low48.9Very low133 Ų133162.7 Ų162.782%0.81674%0.739SS**  trans-66.861.3159.8-4.80000108.6R71R71-T73 VanDerWaalsContact C-N 3.33Å; R71-T73 PolarHBondContact O-N 3.43Å
74R51.5Low50.1Low233 Ų233160.4 Ų160.488%0.87972%0.718SS**  trans-135103.1177.1-171.3176.4168.9-174.6-5.1107.5K72K72-R74 PolarHBondContact O-N 3.41Å
75G46.4Very low51.8Low29 Ų29155.4 Ų155.430%0.29970%0.697SS.*  trans141.820.4162.400000117.9H77 F78 K79G75-H77 VanDerWaalsContact C-N 3.33Å; G75-F78 WeakPolarHBondContact O-CB 3.45Å; G75-F78 PolarHBondContact O-N 3.13Å; G75-K79 PolarHBondContact O-N 3.23Å
76D48.8Very low53.6Low126 Ų126151.5 Ų151.567%0.67468%0.678SS**Hα-helixtrans-65.8-42.7167.6-160.733.5000110.5F78 K79 Q80D76-F78 PolarHBondContact O-N 3.44Å; D76-F78 VanDerWaalsContact O-N 3.14Å; D76-K79 PolarHBondContact O-N 3Å; D76-K79 VanDerWaalsContact O-N 3.16Å; D76-Q80 PolarHBondContact O-N 3.12Å
77H51.6Low55.5Low152 Ų152148.5 Ų148.570%0.70466%0.657SS**Hα-helixtrans-58.7-24168.5-77.9-76000114.8G75 R81G75-H77 VanDerWaalsContact C-N 3.33Å; H77-R81 WeakPolarHBondContact O-CG 3.35Å; H77-R81 PolarHBondContact O-N 2.93Å
78F49.3Very low57.3Low137 Ų137141.9 Ų141.960%0.60163%0.629SS**Hα-helixtrans-74.8-49.2176.4-167.5-102000109.1G75 D76 Q80 R81 F82G75-F78 WeakPolarHBondContact O-CB 3.45Å; G75-F78 PolarHBondContact O-N 3.13Å; D76-F78 PolarHBondContact O-N 3.44Å; D76-F78 VanDerWaalsContact O-N 3.14Å; F78-Q80 VanDerWaalsContact C-N 3.29Å; F78-Q80 PolarHBondContact O-N 2.8Å; F78-R81 PolarHBondContact O-N 3.09Å; F78-F82 HydrophobicContact CD1-CD2 4.01Å; F78-F82 AromaticContact CD1-CE2 3.66Å; F78-F82 HydrophobicContact CD1-CE2 3.66Å; F78-F82 AromaticContact CD2-CE2 3.91Å; F78-F82 HydrophobicContact CD2-CE2 3.91Å; F78-F82 AromaticContact CE1-CD2 3.98Å; F78-F82 HydrophobicContact CE1-CD2 3.98Å; F78-F82 AromaticContact CE1-CE2 3.33Å; F78-F82 HydrophobicContact CE1-CE2 3.33Å; F78-F82 HydrophobicContact CE1-CZ 4.1Å; F78-F82 AromaticContact CE2-CE2 3.6Å; F78-F82 HydrophobicContact CE2-CE2 3.6Å; F78-F82 HydrophobicContact CE2-CZ 4.11Å; F78-F82 HydrophobicContact CG-CD2 4.43Å; F78-F82 AromaticContact CG-CE2 3.95Å; F78-F82 HydrophobicContact CG-CE2 3.95Å; F78-F82 HydrophobicContact CZ-CD2 4.37Å; F78-F82 AromaticContact CZ-CE2 3.31Å; F78-F82 HydrophobicContact CZ-CE2 3.31Å; F78-F82 AromaticContact CZ-CZ 3.74Å; F78-F82 HydrophobicContact CZ-CZ 3.74Å; F78-F82 WeakPolarHBondContact O-CD2 3.35Å; F78-F82 PolarHBondContact O-N 3.27Å
79K53.2Low58.8Low149 Ų149135.6 Ų135.665%0.64861%0.605SS**Hα-helixtrans-63.2-32.8178.2-66.5-178.1178.5-174.60113.3G75 D76 F82 R83G75-K79 PolarHBondContact O-N 3.23Å; D76-K79 PolarHBondContact O-N 3Å; D76-K79 VanDerWaalsContact O-N 3.16Å; K79-F82 PolarHBondContact O-N 2.89Å; K79-R83 WeakPolarHBondContact O-CG 3.49Å
80Q51.8Low60.6Low114 Ų114127.5 Ų127.553%0.53357%0.572SS.*Hα-helixtrans-73.8-29.1178.8-140.6170.616.200112.8D76 F78 F82 R83D76-Q80 PolarHBondContact O-N 3.12Å; F78-Q80 VanDerWaalsContact C-N 3.29Å; F78-Q80 PolarHBondContact O-N 2.8Å; Q80-F82 VanDerWaalsContact C-N 3.33Å; Q80-R83 PolarHBondContact O-N 3.07Å
81R50.4Low62.2Low194 Ų194122 Ų12273%0.73256%0.556SS**Hα-helixtrans-69.2-27172.3-79.3-175.5-178.7-125.91.2113.4H77 F78H77-R81 WeakPolarHBondContact O-CG 3.35Å; H77-R81 PolarHBondContact O-N 2.93Å; F78-R81 PolarHBondContact O-N 3.09Å
82F53.7Low63.7Low149 Ų149115.4 Ų115.465%0.65454%0.535SS*.THydrogen-bonded Turntrans-90.90.1178.6-69.2-77.6000114.3F78 K79 Q80F78-F82 HydrophobicContact CD1-CD2 4.01Å; F78-F82 AromaticContact CD1-CE2 3.66Å; F78-F82 HydrophobicContact CD1-CE2 3.66Å; F78-F82 AromaticContact CD2-CE2 3.91Å; F78-F82 HydrophobicContact CD2-CE2 3.91Å; F78-F82 AromaticContact CE1-CD2 3.98Å; F78-F82 HydrophobicContact CE1-CD2 3.98Å; F78-F82 AromaticContact CE1-CE2 3.33Å; F78-F82 HydrophobicContact CE1-CE2 3.33Å; F78-F82 HydrophobicContact CE1-CZ 4.1Å; F78-F82 AromaticContact CE2-CE2 3.6Å; F78-F82 HydrophobicContact CE2-CE2 3.6Å; F78-F82 HydrophobicContact CE2-CZ 4.11Å; F78-F82 HydrophobicContact CG-CD2 4.43Å; F78-F82 AromaticContact CG-CE2 3.95Å; F78-F82 HydrophobicContact CG-CE2 3.95Å; F78-F82 HydrophobicContact CZ-CD2 4.37Å; F78-F82 AromaticContact CZ-CE2 3.31Å; F78-F82 HydrophobicContact CZ-CE2 3.31Å; F78-F82 AromaticContact CZ-CZ 3.74Å; F78-F82 HydrophobicContact CZ-CZ 3.74Å; F78-F82 WeakPolarHBondContact O-CD2 3.35Å; F78-F82 PolarHBondContact O-N 3.27Å; K79-F82 PolarHBondContact O-N 2.89Å; Q80-F82 VanDerWaalsContact C-N 3.33Å
83R64.5Low65.1Low161 Ų161109.5 Ų109.561%0.60851%0.51SS*.THydrogen-bonded Turntrans-98.1-1.6174.7-70.9175.3104.3133.24113.3K79 Q80K79-R83 WeakPolarHBondContact O-CG 3.49Å; Q80-R83 PolarHBondContact O-N 3.07Å
84K67.8Low66.6Low77 Ų77107.4 Ų107.434%0.33549%0.494SS..SBendtrans-84.5127.6176.5-64.5-169.2-170.6-172.50108.8T88 L89 E92K84-T88 WeakPolarHBondContact CB-OG1 3.39Å; K84-L89 HydrophobicContact CB-CD2 3.77Å; K84-L89 HydrophobicContact CB-CG 3.9Å; K84-L89 HydrophobicContact CD-CD2 3.94Å; K84-L89 HydrophobicContact CG-CD2 4.46Å; K84-E92 WeakPolarHBondContact CD-OE1 3.39Å; K84-E92 WeakPolarHBondContact CD-OE2 3.46Å; K84-E92 WeakPolarHBondContact CE-OE1 3.4Å; K84-E92 IonicContact NZ-OE1 2.58Å; K84-E92 PolarHBondContact NZ-OE1 2.99Å; K84-E92 IonicContact NZ-OE2 2.69Å; K84-E92 PolarHBondContact NZ-OE2 3.46Å
85N73.8Confident67.8Low74 Ų74103.4 Ų103.440%0.39649%0.489SS..  trans-68.8162.8172.167.614.3000109.7T87 T88 L89N85-T87 PolarHBondContact O-N 3.16Å; N85-T87 PolarHBondContact OD1-N 3.38Å; N85-T88 PolarHBondContact N-OG1 3.45Å; N85-T88 VanDerWaalsContact N-OG1 3.1Å; N85-T88 PolarHBondContact O-N 3Å; N85-T88 PolarHBondContact O-OG1 3.43Å; N85-T88 VanDerWaalsContact OD1-CB 3.31Å; N85-T88 WeakPolarHBondContact OD1-CB 3.47Å; N85-T88 WeakPolarHBondContact OD1-CG2 3.46Å; N85-T88 PolarHBondContact OD1-N 3.4Å; N85-T88 PolarHBondContact OD1-OG1 3.49Å; N85-L89 PolarHBondContact O-N 3.18Å; N85-L89 VanDerWaalsContact O-N 3.15Å
86F76.7Confident69.2Low98 Ų98105 Ų10543%0.4350%0.495SS..Hα-helixtrans-55.6-38.3-178.7178.6-106.8000112.5L89 L90 Y103F86-L89 PolarHBondContact O-N 3.09Å; F86-L90 HydrophobicContact CE1-CD2 4.31Å; F86-L90 HydrophobicContact CZ-CD1 4.46Å; F86-L90 WeakPolarHBondContact O-CB 3.39Å; F86-L90 PolarHBondContact O-N 2.87Å; F86-Y103 AromaticContact CE1-CE1 3.97Å; F86-Y103 HydrophobicContact CE1-CE1 3.97Å; F86-Y103 HydrophobicContact CE1-CE2 4.36Å; F86-Y103 AromaticContact CE1-CZ 3.83Å; F86-Y103 HydrophobicContact CE2-CD2 4.48Å; F86-Y103 HydrophobicContact CE2-CE2 4.3Å; F86-Y103 HydrophobicContact CZ-CD1 4.07Å; F86-Y103 AromaticContact CZ-CD2 3.87Å; F86-Y103 HydrophobicContact CZ-CD2 3.87Å; F86-Y103 AromaticContact CZ-CE1 3.72Å; F86-Y103 HydrophobicContact CZ-CE1 3.72Å; F86-Y103 AromaticContact CZ-CE2 3.52Å; F86-Y103 HydrophobicContact CZ-CE2 3.52Å; F86-Y103 HydrophobicContact CZ-CG 4.14Å; F86-Y103 AromaticContact CZ-CZ 3.43Å; F86-Y103 VanDerWaalsContact CZ-CZ 3.43Å
87T80.7Confident70Confident47 Ų47107.5 Ų107.529%0.28850%0.503SS..Hα-helixtrans-60.3-47.4178.4-43.90000112.6F40 N85 L89 L90 E91F40-T87 WeakPolarHBondContact CE1-OG1 3.4Å; N85-T87 PolarHBondContact O-N 3.16Å; N85-T87 PolarHBondContact OD1-N 3.38Å; T87-L89 VanDerWaalsContact C-N 3.33Å; T87-L89 PolarHBondContact O-N 2.67Å; T87-L90 WeakPolarHBondContact O-CB 3.45Å; T87-L90 PolarHBondContact O-N 3.17Å; T87-L90 VanDerWaalsContact O-N 3.12Å; T87-E91 WeakPolarHBondContact O-CG 3.5Å; T87-E91 PolarHBondContact O-N 3.35Å
88T82.1Confident71.1Confident42 Ų42107.5 Ų107.526%0.25850%0.497SS..Hα-helixtrans-66.1-35.9178.450.20000111.8K84 N85 L90 E92K84-T88 WeakPolarHBondContact CB-OG1 3.39Å; N85-T88 PolarHBondContact N-OG1 3.45Å; N85-T88 VanDerWaalsContact N-OG1 3.1Å; N85-T88 PolarHBondContact O-N 3Å; N85-T88 PolarHBondContact O-OG1 3.43Å; N85-T88 VanDerWaalsContact OD1-CB 3.31Å; N85-T88 WeakPolarHBondContact OD1-CB 3.47Å; N85-T88 WeakPolarHBondContact OD1-CG2 3.46Å; N85-T88 PolarHBondContact OD1-N 3.4Å; N85-T88 PolarHBondContact OD1-OG1 3.49Å; T88-L90 VanDerWaalsContact C-N 3.3Å; T88-L90 PolarHBondContact O-N 2.84Å; T88-E92 WeakPolarHBondContact O-CB 3.39Å; T88-E92 VanDerWaalsContact O-CG 3.25Å; T88-E92 WeakPolarHBondContact O-CG 3.28Å; T88-E92 PolarHBondContact O-N 3.16Å
89L82.1Confident72.2Confident78 Ų78106.3 Ų106.341%0.40851%0.513SS..Hα-helixtrans-64.2-37.4172.3-66.8175.7000111.9K84 N85 F86 T87 E93K84-L89 HydrophobicContact CB-CD2 3.77Å; K84-L89 HydrophobicContact CB-CG 3.9Å; K84-L89 HydrophobicContact CD-CD2 3.94Å; K84-L89 HydrophobicContact CG-CD2 4.46Å; N85-L89 PolarHBondContact O-N 3.18Å; N85-L89 VanDerWaalsContact O-N 3.15Å; F86-L89 PolarHBondContact O-N 3.09Å; T87-L89 VanDerWaalsContact C-N 3.33Å; T87-L89 PolarHBondContact O-N 2.67Å; L89-E93 PolarHBondContact O-N 3.24Å
90L84.1Confident73.5Confident36 Ų36105 Ų10519%0.18851%0.509CS..Hα-helixtrans-70.9-41.3179-166.867000112.1F86 T87 T88 E93 N94 Y103 L104F86-L90 HydrophobicContact CE1-CD2 4.31Å; F86-L90 HydrophobicContact CZ-CD1 4.46Å; F86-L90 WeakPolarHBondContact O-CB 3.39Å; F86-L90 PolarHBondContact O-N 2.87Å; T87-L90 WeakPolarHBondContact O-CB 3.45Å; T87-L90 PolarHBondContact O-N 3.17Å; T87-L90 VanDerWaalsContact O-N 3.12Å; T88-L90 VanDerWaalsContact C-N 3.3Å; T88-L90 PolarHBondContact O-N 2.84Å; L90-E93 PolarHBondContact O-N 3.46Å; L90-N94 WeakPolarHBondContact O-CB 3.45Å; L90-N94 PolarHBondContact O-N 2.94Å; L90-Y103 HydrophobicContact CD1-CD1 3.38Å; L90-Y103 HydrophobicContact CD1-CE1 4.29Å; L90-Y103 HydrophobicContact CD1-CG 3.68Å; L90-Y103 HydrophobicContact CD2-CD1 4.04Å; L90-Y103 HydrophobicContact CD2-CE1 4.27Å; L90-Y103 HydrophobicContact CG-CD1 4.38Å; L90-L104 HydrophobicContact CD1-CD2 4.38Å; L90-L104 HydrophobicContact CD1-CG 4.29Å; L90-L104 HydrophobicContact CD2-CD2 4.04Å; L90-L104 HydrophobicContact CG-CD2 4.43Å
91E83.6Confident75Confident117 Ų117104.9 Ų104.955%0.54752%0.518SS..Hα-helixtrans-62.6-42.7174.3-72.8172.5178.800111.8T87 N94 L95T87-E91 WeakPolarHBondContact O-CG 3.5Å; T87-E91 PolarHBondContact O-N 3.35Å; E91-N94 PolarHBondContact O-N 3.23Å; E91-L95 PolarHBondContact O-N 2.86Å
92E83.8Confident76.6Confident90 Ų9097 Ų9742%0.42149%0.491SS..Hα-helixtrans-64.9-41.7176.8-76.2175.4-173.600112.7K84 T88 L95 S96K84-E92 WeakPolarHBondContact CD-OE1 3.39Å; K84-E92 WeakPolarHBondContact CD-OE2 3.46Å; K84-E92 WeakPolarHBondContact CE-OE1 3.4Å; K84-E92 IonicContact NZ-OE1 2.58Å; K84-E92 PolarHBondContact NZ-OE1 2.99Å; K84-E92 IonicContact NZ-OE2 2.69Å; K84-E92 PolarHBondContact NZ-OE2 3.46Å; T88-E92 WeakPolarHBondContact O-CB 3.39Å; T88-E92 VanDerWaalsContact O-CG 3.25Å; T88-E92 WeakPolarHBondContact O-CG 3.28Å; T88-E92 PolarHBondContact O-N 3.16Å; E92-L95 PolarHBondContact O-N 3.19Å; E92-S96 PolarHBondContact O-N 3.49Å
93E81.8Confident78.1Confident63 Ų6397.1 Ų97.129%0.29449%0.487SS..Hα-helixtrans-65.2-42.5175.8-161.2-144.3179.200111.2L89 L90 L95 S96 N102L89-E93 PolarHBondContact O-N 3.24Å; L90-E93 PolarHBondContact O-N 3.46Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.38Å; E93-S96 WeakPolarHBondContact O-CB 3.49Å; E93-S96 PolarHBondContact O-N 3.48Å; E93-S96 PolarHBondContact O-OG 3.32Å; E93-N102 VanDerWaalsContact CD-CB 3.48Å; E93-N102 WeakPolarHBondContact OE1-CB 3.41Å; E93-N102 WeakPolarHBondContact OE2-CB 3.17Å
94N80.7Confident79Confident90 Ų9094 Ų9448%0.48148%0.483SS..Hα-helixtrans-61.3-37.4177.4-170.356.9000112.2L90 E91 S96 L104L90-N94 WeakPolarHBondContact O-CB 3.45Å; L90-N94 PolarHBondContact O-N 2.94Å; E91-N94 PolarHBondContact O-N 3.23Å; N94-S96 VanDerWaalsContact C-N 3.27Å; N94-S96 PolarHBondContact O-N 2.97Å; N94-L104 HydrophobicContact CB-CD1 4.37Å
95L78Confident79.7Confident149 Ų14993.6 Ų93.678%0.7849%0.489SS*.Hα-helixtrans-70.4-22.1174.9-124.179000113.7E91 E92 E93 E97E91-L95 PolarHBondContact O-N 2.86Å; E92-L95 PolarHBondContact O-N 3.19Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.38Å; L95-E97 PolarHBondContact O-N 3.4Å
96S75.1Confident80.3Confident61 Ų6193.6 Ų93.643%0.42750%0.499SS..THydrogen-bonded Turntrans-79.7-2.4-175.671.80000114.2E92 E93 N94 R98E92-S96 PolarHBondContact O-N 3.49Å; E93-S96 WeakPolarHBondContact O-CB 3.49Å; E93-S96 PolarHBondContact O-N 3.48Å; E93-S96 PolarHBondContact O-OG 3.32Å; N94-S96 VanDerWaalsContact C-N 3.27Å; N94-S96 PolarHBondContact O-N 2.97Å; S96-R98 PolarHBondContact O-N 3.05Å
97E66.2Low80.9Confident179 Ų17992.8 Ų92.884%0.83651%0.511SS*.THydrogen-bonded Turntrans39.244.4174.5-68-172.5-179.200114.2L95L95-E97 PolarHBondContact O-N 3.4Å
98R74.6Confident81.3Confident153 Ų15395 Ų9558%0.57753%0.534SS*.  trans-74.5130.7175.4-63.1179.770170.6-3.1108.8S96 E100S96-R98 PolarHBondContact O-N 3.05Å; R98-E100 IonicContact CZ-OE2 3.55Å; R98-E100 IonicContact NE-OE2 3.63Å; R98-E100 IonicContact NH2-OE2 2.81Å; R98-E100 PolarHBondContact NH2-OE2 3.12Å; R98-E100 PolarHBondContact O-N 2.89Å
99A71.3Confident81.7Confident112 Ų11298.4 Ų98.493%0.92656%0.557SS**SBendtrans-72.3-1.9178.300000114.1
100E81.3Confident82.1Confident120 Ų120100.7 Ų100.756%0.56158%0.577SS**SBendtrans-79.7151.3176.3-65.7178.4140.900110.4R98 N102R98-E100 IonicContact CZ-OE2 3.55Å; R98-E100 IonicContact NE-OE2 3.63Å; R98-E100 IonicContact NH2-OE2 2.81Å; R98-E100 PolarHBondContact NH2-OE2 3.12Å; R98-E100 PolarHBondContact O-N 2.89Å; E100-N102 PolarHBondContact O-N 2.8Å
101P82.3Confident82.6Confident112 Ų112103.9 Ų103.973%0.72760%0.602SS**  trans-59.6114.1175.522.7-31.4000110.5S105P101-S105 VanDerWaalsContact CA-OG 3.29Å; P101-S105 WeakPolarHBondContact CA-OG 3.22Å
102N85.3Confident83.1Confident30 Ų30104 Ų10416%0.1662%0.616CS.*  trans-94.8176.2177.966.818.6000112.4E93 E100 L104 S105 A106E93-N102 VanDerWaalsContact CD-CB 3.48Å; E93-N102 WeakPolarHBondContact OE1-CB 3.41Å; E93-N102 WeakPolarHBondContact OE2-CB 3.17Å; E100-N102 PolarHBondContact O-N 2.8Å; N102-L104 PolarHBondContact O-N 2.75Å; N102-L104 VanDerWaalsContact O-N 3.13Å; N102-L104 PolarHBondContact OD1-N 3.14Å; N102-L104 VanDerWaalsContact OD1-N 3.14Å; N102-S105 PolarHBondContact N-OG 2.81Å; N102-S105 PolarHBondContact O-N 3.13Å; N102-S105 VanDerWaalsContact O-N 3.15Å; N102-S105 PolarHBondContact O-OG 3.38Å; N102-S105 VanDerWaalsContact O-OG 3.12Å; N102-S105 WeakPolarHBondContact OD1-CB 3.49Å; N102-S105 PolarHBondContact OD1-N 2.91Å; N102-S105 PolarHBondContact OD1-OG 3.37Å; N102-A106 VanDerWaalsContact O-CB 3.25Å; N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 3.15Å
103Y84.2Confident83.6Confident150 Ų150106 Ų10659%0.58863%0.628SS**THydrogen-bonded Turntrans-55.9-32.2-179.6-177.5-88.8000113.4F86 L90F86-Y103 AromaticContact CE1-CE1 3.97Å; F86-Y103 HydrophobicContact CE1-CE1 3.97Å; F86-Y103 HydrophobicContact CE1-CE2 4.36Å; F86-Y103 AromaticContact CE1-CZ 3.83Å; F86-Y103 HydrophobicContact CE2-CD2 4.48Å; F86-Y103 HydrophobicContact CE2-CE2 4.3Å; F86-Y103 HydrophobicContact CZ-CD1 4.07Å; F86-Y103 AromaticContact CZ-CD2 3.87Å; F86-Y103 HydrophobicContact CZ-CD2 3.87Å; F86-Y103 AromaticContact CZ-CE1 3.72Å; F86-Y103 HydrophobicContact CZ-CE1 3.72Å; F86-Y103 AromaticContact CZ-CE2 3.52Å; F86-Y103 HydrophobicContact CZ-CE2 3.52Å; F86-Y103 HydrophobicContact CZ-CG 4.14Å; F86-Y103 AromaticContact CZ-CZ 3.43Å; F86-Y103 VanDerWaalsContact CZ-CZ 3.43Å; L90-Y103 HydrophobicContact CD1-CD1 3.38Å; L90-Y103 HydrophobicContact CD1-CE1 4.29Å; L90-Y103 HydrophobicContact CD1-CG 3.68Å; L90-Y103 HydrophobicContact CD2-CD1 4.04Å; L90-Y103 HydrophobicContact CD2-CE1 4.27Å; L90-Y103 HydrophobicContact CG-CD1 4.38Å
104L82.8Confident84.2Confident97 Ų97108 Ų10851%0.50865%0.647SS.*THydrogen-bonded Turntrans-81.2-32.6-179.6-62.5176.9000113.3L90 N94 N102L90-L104 HydrophobicContact CD1-CD2 4.38Å; L90-L104 HydrophobicContact CD1-CG 4.29Å; L90-L104 HydrophobicContact CD2-CD2 4.04Å; L90-L104 HydrophobicContact CG-CD2 4.43Å; N94-L104 HydrophobicContact CB-CD1 4.37Å; N102-L104 PolarHBondContact O-N 2.75Å; N102-L104 VanDerWaalsContact O-N 3.13Å; N102-L104 PolarHBondContact OD1-N 3.14Å; N102-L104 VanDerWaalsContact OD1-N 3.14Å
105S84.3Confident84.6Confident67 Ų67109.1 Ų109.147%0.46966%0.659SS.*THydrogen-bonded Turntrans-90.7-21-176.269.70000113.5P101 N102 A107P101-S105 VanDerWaalsContact CA-OG 3.29Å; P101-S105 WeakPolarHBondContact CA-OG 3.22Å; N102-S105 PolarHBondContact N-OG 2.81Å; N102-S105 PolarHBondContact O-N 3.13Å; N102-S105 VanDerWaalsContact O-N 3.15Å; N102-S105 PolarHBondContact O-OG 3.38Å; N102-S105 VanDerWaalsContact O-OG 3.12Å; N102-S105 WeakPolarHBondContact OD1-CB 3.49Å; N102-S105 PolarHBondContact OD1-N 2.91Å; N102-S105 PolarHBondContact OD1-OG 3.37Å; S105-A107 PolarHBondContact O-N 3.41Å
106A86.5Confident85.4Confident74 Ų74111.9 Ų111.961%0.61266%0.659SS**  trans-7568.217900000110.9N102N102-A106 VanDerWaalsContact O-CB 3.25Å; N102-A106 WeakPolarHBondContact O-CB 3.35Å; N102-A106 PolarHBondContact O-N 3.15Å
107A87.9Confident86.3Confident81 Ų81112.6 Ų112.667%0.66966%0.658SS**  trans-108134.5177.400000110.6S105S105-A107 PolarHBondContact O-N 3.41Å
108A89.4Confident87.7Confident94 Ų94109.2 Ų109.278%0.77764%0.641SS**PPolyproline II helixtrans-70141.7170.500000110.1
109P90.3Very high88.7Confident113 Ų113102.2 Ų102.273%0.73462%0.615SS**PPolyproline II helixtrans-63.9157.817328.3-34.4000110.8
110P90.5Very high89.7Confident127 Ų12799.6 Ų99.683%0.82559%0.589SS**PPolyproline II helixtrans-59149.5176.426.4-34.8000111.1S112P110-S112 PolarHBondContact O-N 3.43Å
111S94Very high90.2Very high102 Ų10295.7 Ų95.771%0.71357%0.573SS**PPolyproline II helixtrans-63.4131.9-177.761.80000111.8L113S111-L113 VanDerWaalsContact C-N 3.25Å; S111-L113 PolarHBondContact O-N 3.01Å; S111-L113 PolarHBondContact OG-O 3.38Å
112S95.5Very high90.8Very high121 Ų12193 Ų9385%0.84656%0.557SS**SBendtrans-77.3-9172.556.60000113.9P110P110-S112 PolarHBondContact O-N 3.43Å
113L94.4Very high91.3Very high130 Ų13093.7 Ų93.768%0.68157%0.571SS**SBendtrans-104.5148.6-176.6-61.3177.9000111.3S111S111-L113 VanDerWaalsContact C-N 3.25Å; S111-L113 PolarHBondContact O-N 3.01Å; S111-L113 PolarHBondContact OG-O 3.38Å
114P92.9Very high91.9Very high107 Ų10793.1 Ų93.170%0.69557%0.572SS**PPolyproline II helixtrans-66.1146178.227.7-34.8000111.7R116P114-R116 PolarHBondContact O-N 2.96Å
115P90.6Very high92.5Very high112 Ų11292.2 Ų92.273%0.72757%0.572SS**PPolyproline II helixtrans-66.3135.5-179.427-34000111.2
116R93.5Very high93Very high207 Ų20789.4 Ų89.478%0.78155%0.552SS**PPolyproline II helixtrans-88.7133.1173-63.8-178.6-177.9-118.51.3109.6P114 F118P114-R116 PolarHBondContact O-N 2.96Å; R116-F118 HydrophobicContact CB-CD2 4.29Å; R116-F118 HydrophobicContact CB-CE2 3.53Å; R116-F118 HydrophobicContact CB-CZ 3.7Å; R116-F118 HydrophobicContact CG-CZ 4.48Å
117L93.9Very high93.3Very high76 Ų7693 Ų9340%0.39856%0.556SS.*  trans-101.7113.7-176.3-57.4175.3000109.9P125 S126L117-P125 WeakPolarHBondContact O-CA 3.48Å; L117-S126 WeakPolarHBondContact CB-OG 3.36Å; L117-S126 PolarHBondContact O-N 3.2Å; L117-S126 PolarHBondContact O-OG 3.3Å
118F96Very high93.6Very high109 Ų10995.1 Ų95.148%0.47855%0.547SS..BIsolated β-bridgetrans-114.8150-178.7-61.8-66.7000112R116 C120 G123 R136R116-F118 HydrophobicContact CB-CD2 4.29Å; R116-F118 HydrophobicContact CB-CE2 3.53Å; R116-F118 HydrophobicContact CB-CZ 3.7Å; R116-F118 HydrophobicContact CG-CZ 4.48Å; F118-C120 PolarHBondContact O-N 3.21Å; F118-G123 WeakPolarHBondContact CD1-O 3.42Å; F118-R136 WeakPolarHBondContact O-CB 3.43Å
119C95.1Very high93.7Very high5 Ų593.3 Ų93.33%0.03453%0.527CS..  trans-68.6124.8174.8-179.90000110.1V121 C122 G123 F124 C138C119-V121 PolarHBondContact O-N 3.05Å; C119-V121 VanDerWaalsContact O-N 3.09Å; C119-C122 PolarHBondContact SG-SG 3.43Å; C119-G123 WeakPolarHBondContact O-CA 3.29Å; C119-G123 PolarHBondContact O-N 2.9Å; C119-F124 VanDerWaalsContact CB-O 3.28Å; C119-F124 WeakPolarHBondContact CB-O 3.11Å; C119-F124 PolarHBondContact N-O 3.45Å; C119-C138 HydrophobicContact CB-CB 4.02Å
120C91.9Very high93.7Very high58 Ų5888 Ų8839%0.39249%0.493SS..THydrogen-bonded Turntrans-68.1-7.8178.764.30000114.6F118 R136 R150F118-C120 PolarHBondContact O-N 3.21Å; C120-R136 PolarHBondContact N-O 3.29Å; C120-R136 PolarHBondContact SG-O 3.15Å; C120-R150 PolarHBondContact O-NE 3.03Å; C120-R150 VanDerWaalsContact O-NE 3.17Å
121V93.7Very high93.5Very high37 Ų3785.6 Ų85.622%0.22448%0.476CS..THydrogen-bonded Turntrans-98.6-44.6-179.6-177.20000111.8C119 C142 T145 H146C119-V121 PolarHBondContact O-N 3.05Å; C119-V121 VanDerWaalsContact O-N 3.09Å; V121-C142 HydrophobicContact CB-CB 4.06Å; V121-C142 HydrophobicContact CG1-CB 4.45Å; V121-C142 HydrophobicContact CG2-CB 4.14Å; V121-C142 WeakPolarHBondContact CG2-O 3.25Å; V121-T145 HydrophobicContact CG1-CG2 3.9Å; V121-H146 HydrophobicContact CG2-CB 4.02Å
122C95.1Very high93Very high56 Ų5681.2 Ų81.238%0.37844%0.444SS..THydrogen-bonded Turntrans-128.8-2.1-170.961.30000114.9C119 F124 C138 C142C119-C122 PolarHBondContact SG-SG 3.43Å; C122-F124 HydrophobicContact CB-CD2 4.03Å; C122-F124 PolarHBondContact O-N 2.78Å; C122-C138 PolarHBondContact SG-SG 2.99Å; C122-C142 VanDerWaalsContact SG-SG 3.64Å
123G94.5Very high92.5Very high45 Ų4576.5 Ų76.546%0.46441%0.411SS..  trans77.7-10.117600000116.4F118 C119F118-G123 WeakPolarHBondContact CD1-O 3.42Å; C119-G123 WeakPolarHBondContact O-CA 3.29Å; C119-G123 PolarHBondContact O-N 2.9Å
124F96.6Very high92.2Very high138 Ų13871.3 Ų71.361%0.60539%0.389SS*.SBendtrans-67.2158.8174.8-69.7-70000112.7C119 C122 S126C119-F124 VanDerWaalsContact CB-O 3.28Å; C119-F124 WeakPolarHBondContact CB-O 3.11Å; C119-F124 PolarHBondContact N-O 3.45Å; C122-F124 HydrophobicContact CB-CD2 4.03Å; C122-F124 PolarHBondContact O-N 2.78Å; F124-S126 PolarHBondContact O-N 3.44Å
125P96.7Very high92.1Very high77 Ų7767 Ų6750%0.536%0.364SS..BIsolated β-bridgetrans-49.7129.4175.4-27.835.5000112L117 C138L117-P125 WeakPolarHBondContact O-CA 3.48Å; P125-C138 WeakPolarHBondContact O-CB 3.14Å
126S94.5Very high92.2Very high8 Ų865.9 Ų65.96%0.05635%0.346CS..PPolyproline II helixtrans-99.6132.2-179.862.30000111.1L117 F124 R136 Y137L117-S126 WeakPolarHBondContact CB-OG 3.36Å; L117-S126 PolarHBondContact O-N 3.2Å; L117-S126 PolarHBondContact O-OG 3.3Å; F124-S126 PolarHBondContact O-N 3.44Å; S126-R136 WeakPolarHBondContact OG-CB 3.16Å; S126-Y137 WeakPolarHBondContact CB-O 3.48Å
127H93Very high92.3Very high149 Ų14957.7 Ų57.769%0.6932%0.315SS*.  trans-103.4-12172.5-62.1-74.6000112.9
128Y93.8Very high92.4Very high126 Ų12655.6 Ų55.649%0.49431%0.306SS..EExtended strand (participates in β ladder)trans-124.6157.6-171.7-52.7-77.9000112.7R136 Y137Y128-R136 WeakPolarHBondContact O-CA 3.4Å; Y128-Y137 HydrophobicContact CD2-CD2 4.17Å; Y128-Y137 AromaticContact CD2-CE2 3.85Å; Y128-Y137 HydrophobicContact CD2-CE2 3.85Å; Y128-Y137 HydrophobicContact CG-CD2 4.33Å; Y128-Y137 AromaticContact CG-CE2 3.72Å; Y128-Y137 HydrophobicContact CG-CE2 3.72Å; Y128-Y137 AromaticContact CG-CZ 3.99Å; Y128-Y137 PolarHBondContact N-O 3.18Å; Y128-Y137 PolarHBondContact O-N 2.76Å
129T91.9Very high92.4Very high57 Ų5752.4 Ų52.435%0.3530%0.298SS..EExtended strand (participates in β ladder)trans-129.4132.2-177-50.10000109.5T131 G134 R136T129-T131 PolarHBondContact O-N 2.99Å; T129-G134 WeakPolarHBondContact CG2-O 3.25Å; T129-R136 WeakPolarHBondContact OG1-CD 3.18Å; T129-R136 VanDerWaalsContact OG1-CZ 3.29Å; T129-R136 PolarHBondContact OG1-NE 2.82Å; T129-R136 PolarHBondContact OG1-NH1 3.1Å
130C89.9Confident92.3Very high2 Ų256.3 Ų56.31%0.01433%0.325CS..  trans-68125.3174.7-177.60000109.8T132 G134 G135 H146C130-T132 PolarHBondContact O-N 3.05Å; C130-G134 VanDerWaalsContact O-CA 3.25Å; C130-G134 WeakPolarHBondContact O-CA 3.34Å; C130-G134 PolarHBondContact O-N 3.2Å; C130-G135 VanDerWaalsContact CB-O 3.31Å; C130-G135 WeakPolarHBondContact CB-O 3.46Å; C130-G135 PolarHBondContact N-O 3.02Å; C130-H146 PolarHBondContact SG-NE2 3.03Å
131T85.3Confident92.5Very high76 Ų7663.2 Ų63.247%0.46634%0.343SS..THydrogen-bonded Turntrans-66.3-24.5-178.653.10000113.3R24 T129R24-T131 PolarHBondContact NH1-O 2.65Å; T129-T131 PolarHBondContact O-N 2.99Å
132T84.4Confident92.5Very high10 Ų1062 Ų626%0.06134%0.336CS..THydrogen-bonded Turntrans-81.8-55.9-177.7-50.20000111.8L19 R24 C130 L152L19-T132 WeakPolarHBondContact CD1-O 3.01Å; L19-T132 WeakPolarHBondContact CG-O 3.47Å; R24-T132 PolarHBondContact NH1-O 2.96Å; C130-T132 PolarHBondContact O-N 3.05Å; T132-L152 HydrophobicContact CG2-CD1 3.56Å; T132-L152 HydrophobicContact CG2-CD2 4.24Å; T132-L152 HydrophobicContact CG2-CG 3.93Å
133C85.1Confident92.5Very high22 Ų2260.4 Ų60.415%0.14932%0.324CS..THydrogen-bonded Turntrans-113.5-3.4-173.667.90000114.9R24 G135 H146 L152R24-C133 WeakPolarHBondContact CD-O 3.31Å; C133-G135 PolarHBondContact O-N 2.69Å; C133-G135 PolarHBondContact SG-N 2.58Å; C133-H146 PolarHBondContact SG-CE1 3.12Å; C133-H146 PolarHBondContact SG-NE2 3.49Å; C133-L152 HydrophobicContact CB-CD2 3.92Å; C133-L152 HydrophobicContact CB-CG 4.4Å
134G87.4Confident92.4Very high21 Ų2162.3 Ų62.322%0.21632%0.323CS..  trans78.5-1.1-178.100000114.5T129 C130T129-G134 WeakPolarHBondContact CG2-O 3.25Å; C130-G134 VanDerWaalsContact O-CA 3.25Å; C130-G134 WeakPolarHBondContact O-CA 3.34Å; C130-G134 PolarHBondContact O-N 3.2Å
135G90.1Very high92.3Very high17 Ų1758.2 Ų58.218%0.17531%0.309CS..  trans-60.8136.2177.700000112.4C130 C133C130-G135 VanDerWaalsContact CB-O 3.31Å; C130-G135 WeakPolarHBondContact CB-O 3.46Å; C130-G135 PolarHBondContact N-O 3.02Å; C133-G135 PolarHBondContact O-N 2.69Å; C133-G135 PolarHBondContact SG-N 2.58Å
136R93.3Very high92.1Very high88 Ų8854.8 Ų54.833%0.33229%0.286SS..EExtended strand (participates in β ladder)trans-86.2142.1-177.7-65-64.9-173.5151.56.9112.3F118 C120 S126 Y128 T129F118-R136 WeakPolarHBondContact O-CB 3.43Å; C120-R136 PolarHBondContact N-O 3.29Å; C120-R136 PolarHBondContact SG-O 3.15Å; S126-R136 WeakPolarHBondContact OG-CB 3.16Å; Y128-R136 WeakPolarHBondContact O-CA 3.4Å; T129-R136 WeakPolarHBondContact OG1-CD 3.18Å; T129-R136 VanDerWaalsContact OG1-CZ 3.29Å; T129-R136 PolarHBondContact OG1-NE 2.82Å; T129-R136 PolarHBondContact OG1-NH1 3.1Å
137Y95.4Very high91.8Very high34 Ų3458.7 Ų58.713%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-143.7155.4177.466.7-89.4000112.7S126 Y128 S139 L143S126-Y137 WeakPolarHBondContact CB-O 3.48Å; Y128-Y137 HydrophobicContact CD2-CD2 4.17Å; Y128-Y137 AromaticContact CD2-CE2 3.85Å; Y128-Y137 HydrophobicContact CD2-CE2 3.85Å; Y128-Y137 HydrophobicContact CG-CD2 4.33Å; Y128-Y137 AromaticContact CG-CE2 3.72Å; Y128-Y137 HydrophobicContact CG-CE2 3.72Å; Y128-Y137 AromaticContact CG-CZ 3.99Å; Y128-Y137 PolarHBondContact N-O 3.18Å; Y128-Y137 PolarHBondContact O-N 2.76Å; Y137-S139 VanDerWaalsContact CD2-O 3.25Å; Y137-S139 WeakPolarHBondContact CD2-O 3.23Å; Y137-L143 HydrophobicContact CD1-CB 4.42Å; Y137-L143 HydrophobicContact CD1-CD1 4Å; Y137-L143 HydrophobicContact CD2-CB 3.88Å; Y137-L143 HydrophobicContact CE1-CB 4.39Å; Y137-L143 HydrophobicContact CE1-CD1 3.71Å; Y137-L143 HydrophobicContact CE1-CD2 4.4Å; Y137-L143 HydrophobicContact CE1-CG 4.38Å; Y137-L143 HydrophobicContact CE2-CB 3.85Å; Y137-L143 HydrophobicContact CE2-CD2 4.23Å; Y137-L143 HydrophobicContact CE2-CG 4.45Å; Y137-L143 HydrophobicContact CG-CB 4.17Å
138C96.3Very high91.6Very high33 Ų3358.9 Ų58.922%0.22330%0.301CS..SBendtrans-96.4-27.9-179.464.70000114C119 C122 P125C119-C138 HydrophobicContact CB-CB 4.02Å; C122-C138 PolarHBondContact SG-SG 2.99Å; P125-C138 WeakPolarHBondContact O-CB 3.14Å
139S95.6Very high91.3Very high42 Ų4255.9 Ų55.929%0.29430%0.296SS..SBendtrans-148.2164.6-174.564.60000112.8Y137 R141 C142 L143Y137-S139 VanDerWaalsContact CD2-O 3.25Å; Y137-S139 WeakPolarHBondContact CD2-O 3.23Å; S139-R141 VanDerWaalsContact C-N 3.25Å; S139-R141 PolarHBondContact O-N 2.77Å; S139-C142 WeakPolarHBondContact O-CB 3.29Å; S139-C142 PolarHBondContact O-N 2.93Å; S139-C142 VanDerWaalsContact O-N 3.09Å; S139-C142 PolarHBondContact OG-N 3.42Å; S139-L143 PolarHBondContact O-N 3.12Å
140S93.8Very high91Very high87 Ų8757.3 Ų57.361%0.60830%0.295SS*.Hα-helixtrans-57.8-36.2175.255.80000112.9L143 L144S140-L143 WeakPolarHBondContact O-CB 3.42Å; S140-L143 PolarHBondContact O-N 3.22Å; S140-L143 VanDerWaalsContact O-N 3.16Å; S140-L144 WeakPolarHBondContact O-CG 3.49Å; S140-L144 PolarHBondContact O-N 3.04Å
141R95.3Very high90.8Very high202 Ų20258.5 Ų58.576%0.76230%0.303SS*.Hα-helixtrans-59.4-47.6173.7-65.8-176.9-176.7-179.91.3111.1S139 L143 L144 T145S139-R141 VanDerWaalsContact C-N 3.25Å; S139-R141 PolarHBondContact O-N 2.77Å; R141-L143 VanDerWaalsContact C-N 3.3Å; R141-L143 PolarHBondContact O-N 3.48Å; R141-L144 PolarHBondContact O-N 3.16Å; R141-T145 PolarHBondContact O-N 2.81Å; R141-T145 VanDerWaalsContact O-N 3.12Å; R141-T145 PolarHBondContact O-OG1 3.5Å
142C95.6Very high90.3Very high13 Ų1357.3 Ų57.39%0.08829%0.293CS..Hα-helixtrans-65.1-33.8175.7-69.30000112V121 C122 S139 H146V121-C142 HydrophobicContact CB-CB 4.06Å; V121-C142 HydrophobicContact CG1-CB 4.45Å; V121-C142 HydrophobicContact CG2-CB 4.14Å; V121-C142 WeakPolarHBondContact CG2-O 3.25Å; C122-C142 VanDerWaalsContact SG-SG 3.64Å; S139-C142 WeakPolarHBondContact O-CB 3.29Å; S139-C142 PolarHBondContact O-N 2.93Å; S139-C142 VanDerWaalsContact O-N 3.09Å; S139-C142 PolarHBondContact OG-N 3.42Å; C142-H146 WeakPolarHBondContact O-CB 3.31Å; C142-H146 PolarHBondContact O-N 3.41Å
143L93.4Very high89.3Confident22 Ų2263.5 Ų63.512%0.11532%0.319CS..Hα-helixtrans-63.4-41174.1177.261.3000112.2Y137 S139 S140 R141 H146 R147Y137-L143 HydrophobicContact CD1-CB 4.42Å; Y137-L143 HydrophobicContact CD1-CD1 4Å; Y137-L143 HydrophobicContact CD2-CB 3.88Å; Y137-L143 HydrophobicContact CE1-CB 4.39Å; Y137-L143 HydrophobicContact CE1-CD1 3.71Å; Y137-L143 HydrophobicContact CE1-CD2 4.4Å; Y137-L143 HydrophobicContact CE1-CG 4.38Å; Y137-L143 HydrophobicContact CE2-CB 3.85Å; Y137-L143 HydrophobicContact CE2-CD2 4.23Å; Y137-L143 HydrophobicContact CE2-CG 4.45Å; Y137-L143 HydrophobicContact CG-CB 4.17Å; S139-L143 PolarHBondContact O-N 3.12Å; S140-L143 WeakPolarHBondContact O-CB 3.42Å; S140-L143 PolarHBondContact O-N 3.22Å; S140-L143 VanDerWaalsContact O-N 3.16Å; R141-L143 VanDerWaalsContact C-N 3.3Å; R141-L143 PolarHBondContact O-N 3.48Å; L143-H146 PolarHBondContact O-N 3.42Å; L143-R147 HydrophobicContact CD1-CG 4.23Å; L143-R147 WeakPolarHBondContact O-CB 3.49Å; L143-R147 VanDerWaalsContact O-CG 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.33Å; L143-R147 PolarHBondContact O-N 3.32Å
144L93.6Very high87.8Confident85 Ų8570 Ų7045%0.44534%0.341SS..Hα-helixtrans-63.1-52.8176.6-67.4173.2000110.8S140 R141 H146 R147 E148S140-L144 WeakPolarHBondContact O-CG 3.49Å; S140-L144 PolarHBondContact O-N 3.04Å; R141-L144 PolarHBondContact O-N 3.16Å; L144-H146 VanDerWaalsContact C-N 3.27Å; L144-H146 PolarHBondContact O-N 3.25Å; L144-R147 WeakPolarHBondContact O-CB 3.35Å; L144-R147 PolarHBondContact O-N 2.99Å; L144-E148 WeakPolarHBondContact O-CG 3.38Å; L144-E148 PolarHBondContact O-N 2.72Å
145T93.5Very high86.2Confident52 Ų5270.2 Ų70.232%0.31934%0.338SS..Hα-helixtrans-59.3-40.1176.7-51.90000111.9V121 R141 E148 T149V121-T145 HydrophobicContact CG1-CG2 3.9Å; R141-T145 PolarHBondContact O-N 2.81Å; R141-T145 VanDerWaalsContact O-N 3.12Å; R141-T145 PolarHBondContact O-OG1 3.5Å; T145-E148 PolarHBondContact O-N 3.06Å; T145-T149 PolarHBondContact O-N 2.9Å; T145-T149 PolarHBondContact O-OG1 2.82Å
146H92.3Very high83.9Confident4 Ų476.1 Ų76.12%0.01937%0.365CS..Hα-helixtrans-58.8-49174.3166.779.9000110.9V121 C130 C133 C142 L143 L144 E148 T149 R150 C151V121-H146 HydrophobicContact CG2-CB 4.02Å; C130-H146 PolarHBondContact SG-NE2 3.03Å; C133-H146 PolarHBondContact SG-CE1 3.12Å; C133-H146 PolarHBondContact SG-NE2 3.49Å; C142-H146 WeakPolarHBondContact O-CB 3.31Å; C142-H146 PolarHBondContact O-N 3.41Å; L143-H146 PolarHBondContact O-N 3.42Å; L144-H146 VanDerWaalsContact C-N 3.27Å; L144-H146 PolarHBondContact O-N 3.25Å; H146-E148 VanDerWaalsContact C-N 3.31Å; H146-E148 PolarHBondContact O-N 3.02Å; H146-T149 PolarHBondContact O-N 3.21Å; H146-R150 CarbonylContact O-C 3.45Å; H146-R150 WeakPolarHBondContact O-CA 3.39Å; H146-R150 PolarHBondContact O-N 3.14Å; H146-C151 WeakPolarHBondContact NE2-CB 3.06Å; H146-C151 WeakPolarHBondContact O-CB 3.45Å; H146-C151 PolarHBondContact O-N 3.35Å
147R89.7Confident83.4Confident91 Ų9175.5 Ų75.534%0.34337%0.366SS..Hα-helixtrans-59.8-39.9178.9-77.1172.2174.1171.8-2112.7L143 L144L143-R147 HydrophobicContact CD1-CG 4.23Å; L143-R147 WeakPolarHBondContact O-CB 3.49Å; L143-R147 VanDerWaalsContact O-CG 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.33Å; L143-R147 PolarHBondContact O-N 3.32Å; L144-R147 WeakPolarHBondContact O-CB 3.35Å; L144-R147 PolarHBondContact O-N 2.99Å
148E89.1Confident82.8Confident153 Ų15377.7 Ų77.772%0.71538%0.379SS*.Hα-helixtrans-75-38.5-177.6-70.4166.8-16700113.4L144 T145 H146L144-E148 WeakPolarHBondContact O-CG 3.38Å; L144-E148 PolarHBondContact O-N 2.72Å; T145-E148 PolarHBondContact O-N 3.06Å; H146-E148 VanDerWaalsContact C-N 3.31Å; H146-E148 PolarHBondContact O-N 3.02Å
149T87.3Confident82.1Confident62 Ų6280.2 Ų80.238%0.3839%0.387SS..Hα-helixtrans-117.3-19.1-165.861.20000114.9T145 H146 K153T145-T149 PolarHBondContact O-N 2.9Å; T145-T149 PolarHBondContact O-OG1 2.82Å; H146-T149 PolarHBondContact O-N 3.21Å; T149-K153 WeakPolarHBondContact O-CD 3.48Å
150R84.6Confident81.3Confident88 Ų8882.4 Ų82.433%0.33239%0.393SS..THydrogen-bonded Turntrans-131.5-27.2-167.4-66.7176.4176.582.9-10.5114.5C120 H146 L152C120-R150 PolarHBondContact O-NE 3.03Å; C120-R150 VanDerWaalsContact O-NE 3.17Å; H146-R150 CarbonylContact O-C 3.45Å; H146-R150 WeakPolarHBondContact O-CA 3.39Å; H146-R150 PolarHBondContact O-N 3.14Å; R150-L152 PolarHBondContact O-N 2.8Å
151C86.6Confident80.5Confident26 Ų2682.1 Ų82.118%0.17638%0.379CS..THydrogen-bonded Turntrans-69.3119.5-174.9-170.80000110H146 K153H146-C151 WeakPolarHBondContact NE2-CB 3.06Å; H146-C151 WeakPolarHBondContact O-CB 3.45Å; H146-C151 PolarHBondContact O-N 3.35Å; C151-K153 PolarHBondContact O-N 3.04Å
152L74Confident79.5Confident51 Ų5174.1 Ų74.127%0.26735%0.354SS..THydrogen-bonded Turntrans61.6-4.1-179.2-58175.4000117L19 T132 C133 R150 W154 T155L19-L152 HydrophobicContact CD1-CD2 4.39Å; T132-L152 HydrophobicContact CG2-CD1 3.56Å; T132-L152 HydrophobicContact CG2-CD2 4.24Å; T132-L152 HydrophobicContact CG2-CG 3.93Å; C133-L152 HydrophobicContact CB-CD2 3.92Å; C133-L152 HydrophobicContact CB-CG 4.4Å; R150-L152 PolarHBondContact O-N 2.8Å; L152-W154 VanDerWaalsContact C-N 3.28Å; L152-W154 PolarHBondContact O-N 3.33Å; L152-T155 WeakPolarHBondContact CA-OG1 3.08Å; L152-T155 WeakPolarHBondContact CD2-OG1 3.46Å
153K63.8Low78.3Confident141 Ų14178.5 Ų78.561%0.61337%0.373SS*.THydrogen-bonded Turntrans-63.2-34.3177.3-173.9170.9-177.3171.10112.8T149 C151T149-K153 WeakPolarHBondContact O-CD 3.48Å; C151-K153 PolarHBondContact O-N 3.04Å
154W53.1Low77.2Confident157 Ų15782.8 Ų82.860%0.59539%0.392SS*.SBendtrans-105.3-10.7-176.1-55.1102.8000113Q31 L152Q31-W154 VanDerWaalsContact CG-O 3.22Å; Q31-W154 WeakPolarHBondContact CG-O 3.25Å; Q31-W154 PolarHBondContact NE2-O 3.39Å; Q31-W154 VanDerWaalsContact NE2-O 3.16Å; Q31-W154 PolarHBondContact OE1-O 3.21Å; L152-W154 VanDerWaalsContact C-N 3.28Å; L152-W154 PolarHBondContact O-N 3.33Å
155T54.3Low75.8Confident26 Ų2682.7 Ų82.716%0.1639%0.388CS..  trans-101.421.3-179.6610000113.1R27 L152R27-T155 PolarHBondContact NH1-O 3.19Å; L152-T155 WeakPolarHBondContact CA-OG1 3.08Å; L152-T155 WeakPolarHBondContact CD2-OG1 3.46Å
156L41.6Very low74.2Confident141 Ų14185.5 Ų85.574%0.73839%0.394SS*.  trans-107.90177.4-93.9173.6000110.7R30R30-L156 PolarHBondContact NH1-OXT 3.13Å; R30-L156 PolarHBondContact NH2-OXT 3.01Å

Retrieved 156 of 156 residues in 718.9 ms (Link to these results)