A0A087XRJ2_POEFO Loading...

Collectin subfamily member 10

AlphaFold DB , UniProt , Accession A0A087XRJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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
1V44.9Very low43.4Very low189 Ų189137.7 Ų137.7100%1.14573%0.726SS**  0-10.70-1720000114.4R3V1-R3 PolarHBondContact O-N 3.4Å
2G40.8Very low44Very low63 Ų63132.3 Ų132.365%0.64969%0.692SS**THydrogen-bonded Turntrans-83.1-3.6-173.300000119.2
3R35Very low44.2Very low247 Ų247131.2 Ų131.293%0.93268%0.681SS**THydrogen-bonded Turntrans-92.4-14.5-175-90.3-179.5174.8161.1-1.8115.8V1V1-R3 PolarHBondContact O-N 3.4Å
4K40.7Very low44.5Very low191 Ų191132.3 Ų132.383%0.8367%0.673SS**SBendtrans-87.1-18.4178.6-73.8-171.8177.2-177.40114.7
5K41.9Very low45.2Very low181 Ų181126.4 Ų126.479%0.78764%0.644SS**Hα-helixtrans-78.1-24.8-177.4-78.7-173.5176.4-177.80114.7S7K5-S7 VanDerWaalsContact C-N 3.33Å; K5-S7 PolarHBondContact O-N 3.24Å
6K37.6Very low45.4Very low186 Ų186123 Ų12381%0.80963%0.627SS**Hα-helixtrans-72.2-24.2177.9-73-171.4176.7-174.80113.4
7S46.8Very low46Very low92 Ų92120.6 Ų120.664%0.64362%0.615SS**Hα-helixtrans-73.3-33.6179.1-174.20000113.5K5 F11K5-S7 VanDerWaalsContact C-N 3.33Å; K5-S7 PolarHBondContact O-N 3.24Å; S7-F11 PolarHBondContact O-N 3.47Å
8A46.8Very low46.4Very low55 Ų55117.5 Ų117.546%0.45560%0.6SS.*Hα-helixtrans-77.5-29.2-175.800000113.1K12A8-K12 WeakPolarHBondContact O-CG 3.47Å; A8-K12 PolarHBondContact O-N 3.35Å; A8-K12 VanDerWaalsContact O-N 3.09Å
9L44.2Very low46.7Very low128 Ų128115.4 Ų115.467%0.6759%0.589SS**Hα-helixtrans-72.7-40.4177.4-153.576000111.2K12 Q13L9-K12 PolarHBondContact O-N 3.47Å; L9-Q13 PolarHBondContact O-N 3.17Å; L9-Q13 VanDerWaalsContact O-N 3.08Å
10G46.6Very low46.9Very low44 Ų44118 Ų11845%0.45460%0.596SS.*Hα-helixtrans-62.8-40.4172.300000112.5Q13 Y14G10-Q13 PolarHBondContact O-N 3.48Å; G10-Y14 VanDerWaalsContact O-CB 3.26Å; G10-Y14 WeakPolarHBondContact O-CB 3.46Å; G10-Y14 PolarHBondContact O-N 3.37Å
11F52.5Low46.9Very low139 Ų139117.5 Ų117.561%0.6159%0.592SS**Hα-helixtrans-65.7-40.7176.7-166.5-97.3000112.9S7 Y14 L15S7-F11 PolarHBondContact O-N 3.47Å; F11-Y14 PolarHBondContact O-N 3.48Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.31Å
12K49.6Very low47.2Very low73 Ų73110.7 Ų110.732%0.31755%0.551SS.*Hα-helixtrans-65.1-40.5175.7-77.2178.1179.2178.20112.1A8 L9 L16 E165A8-K12 WeakPolarHBondContact O-CG 3.47Å; A8-K12 PolarHBondContact O-N 3.35Å; A8-K12 VanDerWaalsContact O-N 3.09Å; L9-K12 PolarHBondContact O-N 3.47Å; K12-L16 PolarHBondContact O-N 3.27Å; K12-L16 VanDerWaalsContact O-N 3.1Å; K12-E165 IonicContact NZ-OE1 2.66Å; K12-E165 PolarHBondContact NZ-OE1 2.59Å
13Q46.9Very low47.7Very low118 Ų118112 Ų11255%0.55154%0.54SS*.Hα-helixtrans-67.2-42.4175.9-169.368.723.100111.4L9 G10 L15 L16 I17L9-Q13 PolarHBondContact O-N 3.17Å; L9-Q13 VanDerWaalsContact O-N 3.08Å; G10-Q13 PolarHBondContact O-N 3.48Å; Q13-L15 PolarHBondContact O-N 3.38Å; Q13-L16 PolarHBondContact O-N 3.15Å; Q13-I17 HydrophobicContact CG-CD1 4.14Å; Q13-I17 VanDerWaalsContact O-CG1 3.27Å; Q13-I17 WeakPolarHBondContact O-CG1 3.33Å; Q13-I17 PolarHBondContact O-N 3.38Å
14Y48.1Very low48Very low146 Ų146106 Ų10657%0.57353%0.526SS*.Hα-helixtrans-62.4-41.1176.5-170.4-103.6000111.9G10 F11 I17 L18G10-Y14 VanDerWaalsContact O-CB 3.26Å; G10-Y14 WeakPolarHBondContact O-CB 3.46Å; G10-Y14 PolarHBondContact O-N 3.37Å; F11-Y14 PolarHBondContact O-N 3.48Å; Y14-I17 PolarHBondContact O-N 3.47Å; Y14-L18 HydrophobicContact CD1-CD1 3.7Å; Y14-L18 HydrophobicContact CD1-CG 4.33Å; Y14-L18 HydrophobicContact CE1-CD1 3.5Å; Y14-L18 HydrophobicContact CE1-CG 4.15Å; Y14-L18 WeakPolarHBondContact O-CG 3.26Å; Y14-L18 PolarHBondContact O-N 3.39Å
15L55.6Low48.5Very low44 Ų44101.2 Ų101.223%0.2351%0.508CS..Hα-helixtrans-66.1-38.9176.1-164.471.5000112.4F11 Q13 L18 L19 V145 L150F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.31Å; Q13-L15 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 3.33Å; L15-L19 HydrophobicContact CG-CD1 4.42Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.06Å; L15-V145 HydrophobicContact CD2-CG1 4.35Å; L15-L150 HydrophobicContact CD2-CD1 4.3Å
16L48.1Very low48.6Very low72 Ų7297.4 Ų97.438%0.37749%0.492SS..Hα-helixtrans-65.6-37173.9-83.4160.1000112.5K12 Q13 L19 K20K12-L16 PolarHBondContact O-N 3.27Å; K12-L16 VanDerWaalsContact O-N 3.1Å; Q13-L16 PolarHBondContact O-N 3.15Å; L16-L19 PolarHBondContact O-N 3.29Å; L16-K20 PolarHBondContact O-N 3.3Å
17I55.6Low48.9Very low82 Ų8294.9 Ų94.942%0.42148%0.481SS..Hα-helixtrans-67-43.5174.5-67.9164.4000110.6Q13 Y14 K20 Q21Q13-I17 HydrophobicContact CG-CD1 4.14Å; Q13-I17 VanDerWaalsContact O-CG1 3.27Å; Q13-I17 WeakPolarHBondContact O-CG1 3.33Å; Q13-I17 PolarHBondContact O-N 3.38Å; Y14-I17 PolarHBondContact O-N 3.47Å; I17-K20 PolarHBondContact O-N 3.47Å; I17-Q21 PolarHBondContact O-N 3.16Å
18L53.3Low48.5Very low65 Ų6597.4 Ų97.434%0.3448%0.481SS..Hα-helixtrans-61.5-42.7174.2-75.1172.7000111.9Y14 L15 K20 Q21 T22Y14-L18 HydrophobicContact CD1-CD1 3.7Å; Y14-L18 HydrophobicContact CD1-CG 4.33Å; Y14-L18 HydrophobicContact CE1-CD1 3.5Å; Y14-L18 HydrophobicContact CE1-CG 4.15Å; Y14-L18 WeakPolarHBondContact O-CG 3.26Å; Y14-L18 PolarHBondContact O-N 3.39Å; L15-L18 PolarHBondContact O-N 3.33Å; L18-K20 PolarHBondContact O-N 3.32Å; L18-Q21 WeakPolarHBondContact O-CB 3.3Å; L18-Q21 PolarHBondContact O-N 2.95Å; L18-T22 WeakPolarHBondContact O-CG2 3.4Å; L18-T22 PolarHBondContact O-N 3.06Å
19L52.4Low48.7Very low77 Ų7796.7 Ų96.740%0.40347%0.47SS..Hα-helixtrans-64.4-39176.4-71.8168.5000111.9L15 L16 T22 E23L15-L19 HydrophobicContact CG-CD1 4.42Å; L15-L19 WeakPolarHBondContact O-CB 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.35Å; L15-L19 PolarHBondContact O-N 3.06Å; L16-L19 PolarHBondContact O-N 3.29Å; L19-T22 WeakPolarHBondContact CA-OG1 3.38Å; L19-T22 PolarHBondContact O-N 2.91Å; L19-T22 PolarHBondContact O-OG1 3.3Å; L19-E23 PolarHBondContact O-N 2.92Å
20K50.5Low48.7Very low168 Ų16895 Ų9573%0.7346%0.459SS*.Hα-helixtrans-64.5-37.6171.2-81.1-166.5173.9-168.80112.8L16 I17 L18 T22 E23 L24L16-K20 PolarHBondContact O-N 3.3Å; I17-K20 PolarHBondContact O-N 3.47Å; L18-K20 PolarHBondContact O-N 3.32Å; K20-T22 VanDerWaalsContact C-N 3.33Å; K20-T22 PolarHBondContact O-N 3.42Å; K20-E23 PolarHBondContact O-N 3.48Å; K20-L24 PolarHBondContact O-N 3.16Å
21Q46.3Very low48.3Very low107 Ų10798 Ų9850%0.546%0.464SS..Hα-helixtrans-65.1-34173.7-85.8176.5-20.200112.4I17 L18 E23 L24 I25I17-Q21 PolarHBondContact O-N 3.16Å; L18-Q21 WeakPolarHBondContact O-CB 3.3Å; L18-Q21 PolarHBondContact O-N 2.95Å; Q21-E23 PolarHBondContact O-N 2.69Å; Q21-L24 WeakPolarHBondContact O-CB 3.45Å; Q21-L24 PolarHBondContact O-N 3.48Å; Q21-I25 VanDerWaalsContact O-CG1 3.28Å; Q21-I25 WeakPolarHBondContact O-CG1 3.49Å; Q21-I25 PolarHBondContact O-N 3.22Å
22T52.5Low47.9Very low46 Ų4696.5 Ų96.528%0.28246%0.462SS..Hα-helixtrans-66.3-33.3176.557.30000113.8L18 L19 K20 I25 K26 L138L18-T22 WeakPolarHBondContact O-CG2 3.4Å; L18-T22 PolarHBondContact O-N 3.06Å; L19-T22 WeakPolarHBondContact CA-OG1 3.38Å; L19-T22 PolarHBondContact O-N 2.91Å; L19-T22 PolarHBondContact O-OG1 3.3Å; K20-T22 VanDerWaalsContact C-N 3.33Å; K20-T22 PolarHBondContact O-N 3.42Å; T22-I25 PolarHBondContact O-N 3.41Å; T22-K26 WeakPolarHBondContact O-CB 3.43Å; T22-K26 PolarHBondContact O-N 2.91Å; T22-L138 HydrophobicContact CG2-CD2 4.5Å
23E51.5Low47.6Very low90 Ų9098.8 Ų98.842%0.42148%0.478SS..Hα-helixtrans-68.7-36.9172.7-73.5-63.5160.500111.9L19 K20 Q21 K26 F27 R283L19-E23 PolarHBondContact O-N 2.92Å; K20-E23 PolarHBondContact O-N 3.48Å; Q21-E23 PolarHBondContact O-N 2.69Å; E23-K26 PolarHBondContact O-N 3.42Å; E23-F27 PolarHBondContact O-N 2.91Å; E23-R283 IonicContact OE2-CZ 3.71Å; E23-R283 IonicContact OE2-NE 2.65Å; E23-R283 IonicContact OE2-NH2 2.7Å; E23-R283 PolarHBondContact OE2-NH2 2.83Å
24L41Very low47.3Very low123 Ų12398.4 Ų98.464%0.64449%0.488SS*.Hα-helixtrans-65.8-38.1174.8-122.6143.1000112.2K20 Q21 K28K20-L24 PolarHBondContact O-N 3.16Å; Q21-L24 WeakPolarHBondContact O-CB 3.45Å; Q21-L24 PolarHBondContact O-N 3.48Å; L24-K28 WeakPolarHBondContact O-CB 3.28Å; L24-K28 PolarHBondContact O-N 3.42Å; L24-K28 VanDerWaalsContact O-N 3.12Å
25I50.2Low47.3Very low90 Ų9095.2 Ų95.246%0.46249%0.487SS..Hα-helixtrans-66-42.4173.1-67.7163.3000110.2Q21 T22 F27 K28 V29Q21-I25 VanDerWaalsContact O-CG1 3.28Å; Q21-I25 WeakPolarHBondContact O-CG1 3.49Å; Q21-I25 PolarHBondContact O-N 3.22Å; T22-I25 PolarHBondContact O-N 3.41Å; I25-F27 PolarHBondContact O-N 2.97Å; I25-K28 PolarHBondContact O-N 3.46Å; I25-K28 VanDerWaalsContact O-N 3.17Å; I25-V29 HydrophobicContact CG2-CG2 4.22Å; I25-V29 WeakPolarHBondContact O-CB 3.27Å; I25-V29 VanDerWaalsContact O-CG2 3.24Å; I25-V29 WeakPolarHBondContact O-CG2 3.42Å; I25-V29 PolarHBondContact O-N 3.04Å
26K45.3Very low46.9Very low100 Ų10098.9 Ų98.944%0.43551%0.507SS..Hα-helixtrans-67.3-35.8-178.9-160.1166.5161.3-137.30112.1T22 E23 V29 E30 R283T22-K26 WeakPolarHBondContact O-CB 3.43Å; T22-K26 PolarHBondContact O-N 2.91Å; E23-K26 PolarHBondContact O-N 3.42Å; K26-V29 PolarHBondContact O-N 2.97Å; K26-E30 PolarHBondContact O-N 2.91Å; K26-E30 VanDerWaalsContact O-N 3.09Å; K26-R283 VanDerWaalsContact CB-NH2 3.3Å; K26-R283 VanDerWaalsContact CD-CZ 3.46Å; K26-R283 VanDerWaalsContact CE-NH2 3.31Å
27F42.3Very low46.4Very low133 Ų133101 Ų10158%0.58353%0.527SS*.Hα-helixtrans-65.6-38.8170.2-173.3-102.9000112.6E23 I25 E30 L31E23-F27 PolarHBondContact O-N 2.91Å; I25-F27 PolarHBondContact O-N 2.97Å; F27-E30 PolarHBondContact O-N 3.25Å; F27-L31 HydrophobicContact CD1-CD1 4.01Å; F27-L31 HydrophobicContact CE1-CD1 3.75Å; F27-L31 HydrophobicContact CZ-CD1 4.44Å; F27-L31 PolarHBondContact O-N 3.47Å
28K40.1Very low45.9Very low146 Ų146102.4 Ų102.464%0.63554%0.544SS*.Hα-helixtrans-73-30.3178.1-148.3164.2-173.6176.80112.8L24 I25 L32L24-K28 WeakPolarHBondContact O-CB 3.28Å; L24-K28 PolarHBondContact O-N 3.42Å; L24-K28 VanDerWaalsContact O-N 3.12Å; I25-K28 PolarHBondContact O-N 3.46Å; I25-K28 VanDerWaalsContact O-N 3.17Å; K28-L32 WeakPolarHBondContact O-CG 3.47Å; K28-L32 PolarHBondContact O-N 2.97Å
29V49.2Very low45.4Very low40 Ų40101.4 Ų101.424%0.24255%0.548CS..Hα-helixtrans-70.4-38.3172.3168.70000111.4I25 K26 L32 N33I25-V29 HydrophobicContact CG2-CG2 4.22Å; I25-V29 WeakPolarHBondContact O-CB 3.27Å; I25-V29 VanDerWaalsContact O-CG2 3.24Å; I25-V29 WeakPolarHBondContact O-CG2 3.42Å; I25-V29 PolarHBondContact O-N 3.04Å; K26-V29 PolarHBondContact O-N 2.97Å; V29-L32 PolarHBondContact O-N 2.99Å; V29-N33 PolarHBondContact O-N 3.28Å; V29-N33 VanDerWaalsContact O-N 3.08Å
30E45Very low45Very low93 Ų93103.9 Ų103.944%0.43557%0.569SS.*Hα-helixtrans-64-38.6174-80.3164.4-172.200112.4K26 F27 L32 N33 S34 R283K26-E30 PolarHBondContact O-N 2.91Å; K26-E30 VanDerWaalsContact O-N 3.09Å; F27-E30 PolarHBondContact O-N 3.25Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.94Å; E30-N33 PolarHBondContact O-N 3.17Å; E30-S34 PolarHBondContact O-N 3.17Å; E30-R283 IonicContact OE1-CZ 2.94Å; E30-R283 IonicContact OE1-NH1 2.77Å; E30-R283 PolarHBondContact OE1-NH1 3.36Å; E30-R283 IonicContact OE2-NH1 3.68Å
31L37.8Very low44.5Very low106 Ų106103.8 Ų103.856%0.55557%0.571SS**Hα-helixtrans-64.3-34.5173.2-74.5166.3000113.1F27F27-L31 HydrophobicContact CD1-CD1 4.01Å; F27-L31 HydrophobicContact CE1-CD1 3.75Å; F27-L31 HydrophobicContact CZ-CD1 4.44Å; F27-L31 PolarHBondContact O-N 3.47Å
32L44.6Very low44.3Very low107 Ų107107.2 Ų107.256%0.5659%0.587SS**Hα-helixtrans-75.6-28.3177.6-70.3169.5000113.1K28 V29 E30 S35K28-L32 WeakPolarHBondContact O-CG 3.47Å; K28-L32 PolarHBondContact O-N 2.97Å; V29-L32 PolarHBondContact O-N 2.99Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.94Å; L32-S35 PolarHBondContact O-OG 3.48Å
33N44Very low43.8Very low122 Ų122112.8 Ų112.865%0.65261%0.614SS**Hα-helixtrans-77.8-21.8176.6-76-17.6000113.1V29 E30 S35V29-N33 PolarHBondContact O-N 3.28Å; V29-N33 VanDerWaalsContact O-N 3.08Å; E30-N33 PolarHBondContact O-N 3.17Å; N33-S35 VanDerWaalsContact C-N 3.28Å; N33-S35 PolarHBondContact O-N 3.12Å
34S39.3Very low43.3Very low109 Ų109118.7 Ų118.776%0.76263%0.632SS**THydrogen-bonded Turntrans-74-15.5174.3-176.60000113.5E30E30-S34 PolarHBondContact O-N 3.17Å
35S47.6Very low43.1Very low79 Ų79120.5 Ų120.555%0.55264%0.643SS**THydrogen-bonded Turntrans-101.35.5-174.243.90000115.5L32 N33L32-S35 PolarHBondContact O-OG 3.48Å; N33-S35 VanDerWaalsContact C-N 3.28Å; N33-S35 PolarHBondContact O-N 3.12Å
36N47.9Very low42.9Very low122 Ų122121.5 Ų121.565%0.65266%0.655SS**  trans-124.375.5-177.4-73.8-29.7000112.9C38N36-C38 VanDerWaalsContact C-N 3.26Å; N36-C38 PolarHBondContact O-N 2.85Å
37S38.8Very low42.9Very low115 Ų115119.7 Ų119.780%0.80467%0.665SS**  trans-83.772.5154.868.30000109.8G39S37-G39 PolarHBondContact O-N 3.49Å
38C44.3Very low43Very low113 Ų113121 Ų12176%0.76468%0.678SS**  trans-93.885.2164.1-88.60000109N36N36-C38 VanDerWaalsContact C-N 3.26Å; N36-C38 PolarHBondContact O-N 2.85Å
39G42.6Very low43.2Very low43 Ų43121.5 Ų121.544%0.44368%0.682SS.*  trans-81.6158.8163.200000111.3S37 H41S37-G39 PolarHBondContact O-N 3.49Å; G39-H41 PolarHBondContact O-N 3.27Å
40P44.3Very low43Very low130 Ų130122.2 Ų122.284%0.84470%0.698SS**THydrogen-bonded Turntrans-7725.7-170.932.8-36.5000115.3
41H40.4Very low43Very low166 Ų166125.3 Ų125.377%0.76972%0.718SS**THydrogen-bonded Turntrans-114.22.6-169.7-91-75.9000117.5G39 L43G39-H41 PolarHBondContact O-N 3.27Å; H41-L43 VanDerWaalsContact C-N 3.27Å; H41-L43 PolarHBondContact O-N 3.01Å
42H41Very low43.3Very low179 Ų179130.2 Ų130.283%0.82973%0.73SS**  trans-87.369.4177.5-64.8-60.4000112.1
43L43.1Very low43.4Very low162 Ų162128.6 Ų128.685%0.84874%0.74SS**  trans-79.6113.2165.4-135.381.7000108.6H41H41-L43 VanDerWaalsContact C-N 3.27Å; H41-L43 PolarHBondContact O-N 3.01Å
44R39.5Very low43.4Very low215 Ų215132.2 Ų132.281%0.81175%0.752SS**  trans53.694.9149-170.8175.9169.2-176.3-6.1116.4P46R44-P46 WeakPolarHBondContact O-CD 3.47Å
45N38.5Very low43.7Very low160 Ų160136.3 Ų136.386%0.85676%0.76SS**PPolyproline II helixtrans-70125.7152.6-70.8-11.1000108
46P44.6Very low43.6Very low111 Ų111135.7 Ų135.772%0.72177%0.766SS**PPolyproline II helixtrans-57.9135.8165-18.531.7000109R44R44-P46 WeakPolarHBondContact O-CD 3.47Å
47G47Very low43.5Very low62 Ų62139.3 Ų139.364%0.63978%0.779SS**PPolyproline II helixtrans-64.2153.5173.200000111.1
48D43.1Very low43.9Very low161 Ų161143 Ų14386%0.86178%0.784SS**PPolyproline II helixtrans-53139.9-177.8-63.5-35.8000111.7G50D48-G50 PolarHBondContact O-N 3.46Å
49Q43.8Very low44.1Very low156 Ų156141 Ų14173%0.72978%0.782SS**PPolyproline II helixtrans-64.2124.1176.8-178.4175.9-21.900108.8
50G46.9Very low44.4Very low55 Ų55149 Ų14957%0.56781%0.805SS**PPolyproline II helixtrans-62.6152.1-179.900000112.8D48D48-G50 PolarHBondContact O-N 3.46Å
51D43.4Very low44.4Very low159 Ų159151 Ų15185%0.8581%0.807SS**PPolyproline II helixtrans-57.1146.1-178.7-66.5-41.9000112.6
52Y44.5Very low44.9Very low208 Ų208146 Ų14682%0.81680%0.8SS**PPolyproline II helixtrans-65.9138.2175.4-72.2-85.4000110.7
53G45.9Very low45.2Very low74 Ų74147.3 Ų147.376%0.76380%0.804SS**PPolyproline II helixtrans-66.2151.5177.100000113.1
54E44.8Very low45.6Very low197 Ų197147.2 Ų147.292%0.92180%0.804SS**PPolyproline II helixtrans-61.5147.8179.8-67.6-171.9156.100112.9G56E54-G56 PolarHBondContact O-N 3.47Å
55Q45.7Very low46.1Very low195 Ų195140 Ų14091%0.91180%0.797SS**PPolyproline II helixtrans-66.8128.8179-177.2175.5-15.200110.7
56G46.4Very low46.6Very low67 Ų67138.1 Ų138.169%0.69179%0.793SS**PPolyproline II helixtrans-63.5149.5-18000000113.7E54E54-G56 PolarHBondContact O-N 3.47Å
57E44.9Very low47.1Very low198 Ų198139 Ų13993%0.92580%0.799SS**PPolyproline II helixtrans-63.8148.7-178.3-64.1-160.8159.100113.6
58E48.3Very low47.3Very low192 Ų192139.6 Ų139.690%0.89781%0.806SS**PPolyproline II helixtrans-67.2136.9179.6-167.9172.3-17000111.9
59G47.7Very low47.6Very low71 Ų71140.4 Ų140.473%0.73281%0.809SS**PPolyproline II helixtrans-65.6141.7-177.500000113.2
60K48.1Very low47.8Very low211 Ų211138 Ų13892%0.91782%0.815SS**PPolyproline II helixtrans-65.2140.5179.7-62.3-175.8179.8-177.80111.9G62K60-G62 PolarHBondContact O-N 3.48Å
61L45.6Very low47.8Very low172 Ų172138.9 Ų138.990%0.90183%0.825SS**PPolyproline II helixtrans-57.1133.1177.2-169.671.5000111.4
62G50.3Low47.8Very low60 Ų60136.7 Ų136.762%0.61982%0.817SS**PPolyproline II helixtrans-61.3146.6179.600000112.9K60K60-G62 PolarHBondContact O-N 3.48Å
63K47.6Very low48Very low208 Ų208133.9 Ų133.990%0.90481%0.809SS**PPolyproline II helixtrans-71.4141.9178.7-61.7-179.6-178.81800110.5
64N52Low48Very low159 Ų159141.9 Ų141.985%0.8582%0.816SS**PPolyproline II helixtrans-58.6140175.2-66.4-3.8000110.9
65G48.3Very low48.4Very low65 Ų65138.8 Ų138.867%0.6781%0.811SS**PPolyproline II helixtrans-64.1149.9177.800000112.5
66P50.9Low48.6Very low120 Ų120135.5 Ų135.578%0.77981%0.806SS**PPolyproline II helixtrans-64150.6176.526.5-32.9000111.5
67P54.8Low48.4Very low128 Ų128135.9 Ų135.983%0.83181%0.81SS**PPolyproline II helixtrans-56.6138.7174.7-22.632.5000111.9
68G49.8Very low48.5Very low76 Ų76135.3 Ų135.378%0.78481%0.807SS**PPolyproline II helixtrans-59.7141.9178.200000112.6A70G68-A70 PolarHBondContact O-N 2.98Å
69L50Low48.2Very low178 Ų178132.3 Ų132.393%0.93281%0.805SS**PPolyproline II helixtrans-59.6131.8178.5-71.2162.3000111G71L69-G71 PolarHBondContact O-N 3.49Å
70A47.7Very low48.1Very low104 Ų104132.5 Ų132.586%0.8681%0.807SS**  trans-64.8113.6177.400000110.8G68G68-A70 PolarHBondContact O-N 2.98Å
71G47.9Very low47.8Very low74 Ų74130.5 Ų130.576%0.76381%0.805SS**  trans-101.4106.5176.300000112.4L69L69-G71 PolarHBondContact O-N 3.49Å
72T43.8Very low47.6Very low114 Ų114132.2 Ų132.270%0.69981%0.805SS**  trans-147.3143.8162.949.80000107.6
73K47.4Very low47.5Very low148 Ų148132.7 Ų132.764%0.64381%0.81SS**  cis-159.5157.39.9-115168178.5-1730105.9G86K73-G86 PolarHBondContact NZ-O 3.3Å
74R47.3Very low47.5Very low242 Ų242132.4 Ų132.491%0.91381%0.812SS**  trans-78.8134.7176.9-66-175.6-174.6-135.81.7111.9
75V52.6Low47.4Very low132 Ų132131.6 Ų131.680%0.881%0.813SS**  15152.1121.1-169.40000117
76P48.8Very low47.6Very low127 Ų127130.6 Ų130.683%0.82580%0.802SS**  cis-137.5-173.7-1.2260.1000116
77G42.4Very low47.7Very low75 Ų75130.9 Ų130.977%0.77380%0.804SS**  trans153.6131.1150.700000116.4
78E47Very low47.5Very low185 Ų185130.6 Ų130.686%0.86481%0.806SS**  trans-54.4159.1169.6-77.4-179.8143.800112.7G80E78-G80 PolarHBondContact O-N 3.09Å
79P42.7Very low47.6Very low130 Ų130129.9 Ų129.984%0.84480%0.798SS**SBendtrans-54.9125.5164.2-13.526.8000108.2
80G45.3Very low47.8Very low75 Ų75131.3 Ų131.377%0.77380%0.797SS**SBend-118.4145.973.300000115.2E78 K82E78-G80 PolarHBondContact O-N 3.09Å; G80-K82 PolarHBondContact O-N 3.45Å
81L42.3Very low47.9Very low169 Ų169135.4 Ų135.489%0.88580%0.8SS**  trans-49122.5-172.5-72.2154.9000114.9
82K40.1Very low48.1Very low207 Ų207134.5 Ų134.590%0.979%0.791SS**  trans60.1117.6133.6-161.4-179.8-173.8-1780116.7G80G80-K82 PolarHBondContact O-N 3.45Å
83G48.7Very low48.7Very low70 Ų70135.4 Ų135.472%0.72280%0.799SS**  cis150.5137.1500000107.8
84E48.5Very low48.9Very low202 Ų202136.4 Ų136.494%0.94481%0.809SS**  trans-141.2148.1164.1-75-164.7156.700110
85V50.1Low49.1Very low142 Ų142128 Ų12886%0.86180%0.799SS**PPolyproline II helixtrans-78.8131.3-158.7175.60000113.2
86G51.5Low49.3Very low44 Ų44131.1 Ų131.145%0.45480%0.804SS.*PPolyproline II helixtrans-78.1143.4176.100000114.6K73K73-G86 PolarHBondContact NZ-O 3.3Å
87P54.1Low49.6Very low127 Ų127134.7 Ų134.783%0.82581%0.807SS**PPolyproline II helixtrans-69.1163.2-177.726.8-33.2000114.7
88S50.6Low50.2Low122 Ų122134.3 Ų134.385%0.85380%0.803SS**PPolyproline II helixtrans-58.8147.8-166.9-76.10000116.6
89G51Low50.8Low60 Ų60133.3 Ų133.362%0.61980%0.803SS**PPolyproline II helixtrans-71151.5175.800000113.4
90K55.3Low51.3Low209 Ų209136.9 Ų136.991%0.90981%0.805SS**PPolyproline II helixtrans-70147.1176.1-63.7-175.9178.7-175.90111.1
91M48.7Very low51.8Low189 Ų189136.5 Ų136.593%0.93180%0.801SS**PPolyproline II helixtrans-58.3135.8176.1-168.5159.76300111
92G51.6Low52.6Low56 Ų56133.3 Ų133.358%0.57780%0.799SS**PPolyproline II helixtrans-67.9160.9-179.700000113.1
93P56.8Low53.2Low132 Ų132132.4 Ų132.486%0.85780%0.796SS**PPolyproline II helixtrans-64.5151.117827.3-33.4000112.1G95P93-G95 PolarHBondContact O-N 3.43Å
94I51.1Low53.5Low169 Ų169132 Ų13287%0.86779%0.791SS**PPolyproline II helixtrans-61.1131.2172.2-66.7169.9000108.5
95G52.3Low54.1Low67 Ų67132.4 Ų132.469%0.69179%0.79SS**PPolyproline II helixtrans-62.3149.6179.800000112.8P93P93-G95 PolarHBondContact O-N 3.43Å
96E57Low54.5Low196 Ų196132.6 Ų132.692%0.91679%0.786SS**PPolyproline II helixtrans-62.6147.3179.8-65-172.3147.400112G98E96-G98 PolarHBondContact O-N 2.89Å
97K54.7Low54.6Low203 Ų203133.6 Ų133.688%0.88380%0.796SS**PPolyproline II helixtrans-65.3125.6176.6-175.6177.6-178.8177.70108.9
98G55.9Low55Low66 Ų66133.7 Ų133.768%0.6880%0.797SS**PPolyproline II helixtrans-57.1146.6179.500000113E96E96-G98 PolarHBondContact O-N 2.89Å
99D57.9Low55.6Low164 Ų164135 Ų13588%0.87780%0.799SS**PPolyproline II helixtrans-57.7146.3-177.8-67.1-44.8000112.6G101D99-G101 PolarHBondContact O-N 3.48Å
100K54.5Low55.8Low205 Ų205134.8 Ų134.889%0.89180%0.798SS**PPolyproline II helixtrans-63.5129.1174-170.4177.1-178.6179.10108.9
101G55.6Low55.9Low67 Ų67132.9 Ų132.969%0.69180%0.796SS**PPolyproline II helixtrans-53.7145.1176.700000112.1D99D99-G101 PolarHBondContact O-N 3.48Å
102A58.5Low56.4Low102 Ų102133.4 Ų133.484%0.84379%0.793SS**PPolyproline II helixtrans-58.1145.9179.900000111.5G104A102-G104 PolarHBondContact O-N 3.41Å
103K53.6Low56.5Low189 Ų189133.5 Ų133.582%0.82279%0.794SS**PPolyproline II helixtrans-60.6134.4173.9-167.6-175.3179-164.10108.9
104G54.9Low56.2Low60 Ų60136.3 Ų136.362%0.61980%0.796SS**PPolyproline II helixtrans-56.9150.6174.800000111.8A102A102-G104 PolarHBondContact O-N 3.41Å
105F61.6Low56.3Low211 Ų211133.1 Ų133.193%0.92579%0.794SS**PPolyproline II helixtrans-66.2147.2178-67.5-82000111.2
106D58.5Low56.4Low146 Ų146133.3 Ų133.378%0.78180%0.797SS**PPolyproline II helixtrans-63.9140172.5-63.9-34.4000110
107G52.8Low56.2Low65 Ų65128.9 Ų128.967%0.6779%0.793SS**PPolyproline II helixtrans-63.6157178.200000112.6
108P63.1Low56.1Low130 Ų130125.7 Ų125.784%0.84479%0.791SS**PPolyproline II helixtrans-63.6146.8179.626.8-33.6000111.7G110P108-G110 PolarHBondContact O-N 2.92Å
109V61.6Low56Low148 Ų148128.2 Ų128.290%0.89780%0.797SS**PPolyproline II helixtrans-61.4129.7175.8-179.40000109.6
110G55.2Low56.2Low57 Ų57125.1 Ų125.159%0.58878%0.78SS**PPolyproline II helixtrans-57149.5178.500000113.2P108 K112P108-G110 PolarHBondContact O-N 2.92Å; G110-K112 PolarHBondContact O-N 2.98Å
111I57.8Low56.4Low169 Ų169119.4 Ų119.487%0.86777%0.765SS**PPolyproline II helixtrans-65.2128.3-177.6-18.4175.4000109.5G113I111-G113 PolarHBondContact O-N 3.34Å
112K59.1Low56.8Low200 Ų200118.3 Ų118.387%0.8775%0.754SS**PPolyproline II helixtrans-63.8125.8177.1-170.3176.2-177.9177.60109.9G110G110-K112 PolarHBondContact O-N 2.98Å
113G53.6Low57.1Low58 Ų58122.3 Ų122.360%0.59875%0.747SS**PPolyproline II helixtrans-55.5146.117700000112.7I111I111-G113 PolarHBondContact O-N 3.34Å
114Q50.4Low57.5Low191 Ų191121 Ų12189%0.89374%0.738SS**PPolyproline II helixtrans-63.2144.1179.5-72.2-176.8-5.100111.4
115A53.2Low58.4Low101 Ų101128 Ų12884%0.83575%0.746SS**PPolyproline II helixtrans-65.7134.1175.800000110.7
116G54.5Low58.9Low72 Ų72125.5 Ų125.574%0.74273%0.734SS**PPolyproline II helixtrans-61145.2176.200000112.6T118G116-T118 PolarHBondContact O-N 3.48Å
117A52.5Low59.7Low102 Ų102122.7 Ų122.784%0.84372%0.722SS**PPolyproline II helixtrans-59.6133.2-178.400000112
118T52.5Low60.9Low137 Ų137123.5 Ų123.584%0.8471%0.714SS**PPolyproline II helixtrans-66.7130.8176.841.90000111G116 D120G116-T118 PolarHBondContact O-N 3.48Å; T118-D120 PolarHBondContact O-N 2.91Å; T118-D120 VanDerWaalsContact O-N 3.15Å
119C55.1Low61.4Low118 Ų118119.1 Ų119.180%0.79769%0.693SS**  trans-69.6106.2172.4-77.60000110.1C121C119-C121 VanDerWaalsContact C-N 3.3Å; C119-C121 PolarHBondContact O-N 3.04Å
120D60.7Low62.3Low99 Ų99117.8 Ų117.853%0.52968%0.677SS.*  trans-7678.7174.3-177.712.1000111.3T118 G122 R123 Y124T118-D120 PolarHBondContact O-N 2.91Å; T118-D120 VanDerWaalsContact O-N 3.15Å; D120-G122 PolarHBondContact O-N 3.46Å; D120-G122 WeakPolarHBondContact OD1-CA 3.24Å; D120-G122 PolarHBondContact OD1-N 3.49Å; D120-R123 PolarHBondContact OD1-N 3.24Å; D120-Y124 WeakPolarHBondContact O-CD2 3.47Å
121C60.1Low63.4Low86 Ų86119.2 Ų119.258%0.58167%0.671SS**Hα-helixtrans-67.5-14.2171.4-63.40000112.9C119 R125C119-C121 VanDerWaalsContact C-N 3.3Å; C119-C121 PolarHBondContact O-N 3.04Å; C121-R125 PolarHBondContact O-N 3.08Å
122G63.6Low64Low43 Ų43115.9 Ų115.944%0.44366%0.655SS.*Hα-helixtrans-69.8-36.6-178.600000112.8D120D120-G122 PolarHBondContact O-N 3.46Å; D120-G122 WeakPolarHBondContact OD1-CA 3.24Å; D120-G122 PolarHBondContact OD1-N 3.49Å
123R63.9Low65.1Low186 Ų186111.7 Ų111.770%0.70264%0.638SS**Hα-helixtrans-64-42.7176.1-173.5174.5-178.7171.9-0.1112.8D120D120-R123 PolarHBondContact OD1-N 3.24Å
124Y63.8Low66.2Low163 Ų163113.3 Ų113.364%0.63963%0.633SS**Hα-helixtrans-72.5-32.7-178.4-65.5-76.6000112.8D120 K126 V127 V128D120-Y124 WeakPolarHBondContact O-CD2 3.47Å; Y124-K126 VanDerWaalsContact C-N 3.3Å; Y124-K126 PolarHBondContact O-N 3.41Å; Y124-V127 PolarHBondContact O-N 3.1Å; Y124-V127 VanDerWaalsContact O-N 3.16Å; Y124-V128 WeakPolarHBondContact O-CG2 3.36Å; Y124-V128 PolarHBondContact O-N 3.27Å
125R73.3Confident67.7Low206 Ų206107.1 Ų107.178%0.77761%0.605SS**Hα-helixtrans-58.1-38.9178.8-168.6-179.4-176.5102.5-0.5113.2C121 G129C121-R125 PolarHBondContact O-N 3.08Å; R125-G129 PolarHBondContact O-N 2.89Å
126K71.6Confident68.9Low158 Ų158103.8 Ų103.869%0.68758%0.581SS**Hα-helixtrans-68.1-41.6177.7-69.6-176.5-179.5177.70111.9Y124 Q130Y124-K126 VanDerWaalsContact C-N 3.3Å; Y124-K126 PolarHBondContact O-N 3.41Å; K126-Q130 WeakPolarHBondContact O-CB 3.19Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.87Å
127V75.5Confident70.1Confident87 Ų87105.3 Ų105.353%0.52757%0.567SS.*Hα-helixtrans-66.9-43.8179.1179.70000110.9Y124 Q130 L131Y124-V127 PolarHBondContact O-N 3.1Å; Y124-V127 VanDerWaalsContact O-N 3.16Å; V127-Q130 PolarHBondContact O-N 3.31Å; V127-L131 WeakPolarHBondContact O-CB 3.48Å; V127-L131 PolarHBondContact O-N 3.33Å
128V77.1Confident71.2Confident83 Ų83104.3 Ų104.350%0.50355%0.547SS..Hα-helixtrans-64.8-45.1176.8175.50000110.8Y124 Q130 L131 D132Y124-V128 WeakPolarHBondContact O-CG2 3.36Å; Y124-V128 PolarHBondContact O-N 3.27Å; V128-Q130 PolarHBondContact O-N 2.91Å; V128-L131 WeakPolarHBondContact O-CB 3.28Å; V128-L131 PolarHBondContact O-N 2.98Å; V128-L131 VanDerWaalsContact O-N 3.16Å; V128-D132 PolarHBondContact O-N 3.49Å
129G75.2Confident72.3Confident38 Ų38107.2 Ų107.239%0.39254%0.543SS..Hα-helixtrans-61.8-41.1177.100000113.3R125 L131 D132 E133R125-G129 PolarHBondContact O-N 2.89Å; G129-L131 VanDerWaalsContact C-N 3.34Å; G129-D132 PolarHBondContact O-N 3.4Å; G129-E133 PolarHBondContact O-N 2.86Å
130Q78.8Confident73.2Confident120 Ų120106.6 Ų106.656%0.56153%0.532SS*.Hα-helixtrans-65.7-37174.6-78.1169.6-19.300112.2K126 V127 V128 N134K126-Q130 WeakPolarHBondContact O-CB 3.19Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.87Å; V127-Q130 PolarHBondContact O-N 3.31Å; V128-Q130 PolarHBondContact O-N 2.91Å; Q130-N134 WeakPolarHBondContact O-CB 3.36Å; Q130-N134 PolarHBondContact O-N 3.27Å; Q130-N134 PolarHBondContact O-ND2 3.4Å
131L78.2Confident73.5Confident87 Ų87106.8 Ų106.846%0.45553%0.533SS..Hα-helixtrans-66-44.3175.5-176.561000111.5V127 V128 G129 E133 N134 L135V127-L131 WeakPolarHBondContact O-CB 3.48Å; V127-L131 PolarHBondContact O-N 3.33Å; V128-L131 WeakPolarHBondContact O-CB 3.28Å; V128-L131 PolarHBondContact O-N 2.98Å; V128-L131 VanDerWaalsContact O-N 3.16Å; G129-L131 VanDerWaalsContact C-N 3.34Å; L131-E133 PolarHBondContact O-N 3.49Å; L131-N134 PolarHBondContact O-N 2.94Å; L131-L135 HydrophobicContact CD1-CG 4.43Å; L131-L135 HydrophobicContact CG-CD1 4.15Å; L131-L135 HydrophobicContact CG-CG 4.47Å; L131-L135 WeakPolarHBondContact O-CB 3.5Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.4Å; L131-L135 PolarHBondContact O-N 3.48Å
132D71.9Confident74.2Confident99 Ų99105.6 Ų105.653%0.52952%0.523SS..Hα-helixtrans-61.9-42.3177.3-77.5-23.4000112.1V128 G129 N134 L135 G136V128-D132 PolarHBondContact O-N 3.49Å; G129-D132 PolarHBondContact O-N 3.4Å; D132-N134 VanDerWaalsContact C-N 3.35Å; D132-N134 PolarHBondContact O-N 3.5Å; D132-L135 PolarHBondContact O-N 3Å; D132-G136 PolarHBondContact O-N 3.36Å
133E81.8Confident74.5Confident111 Ų111109.9 Ų109.952%0.51953%0.529SS..Hα-helixtrans-63-43.1175.6-164.4-170.815600111.3G129 L131 G136 K137G129-E133 PolarHBondContact O-N 2.86Å; L131-E133 PolarHBondContact O-N 3.49Å; E133-G136 PolarHBondContact O-N 2.68Å; E133-K137 WeakPolarHBondContact O-CG 3.43Å; E133-K137 PolarHBondContact O-N 2.98Å; E133-K137 WeakPolarHBondContact OE1-CE 3.35Å; E133-K137 IonicContact OE1-NZ 2.69Å; E133-K137 PolarHBondContact OE1-NZ 3.24Å
134N76.8Confident74.6Confident93 Ų93106.7 Ų106.750%0.49752%0.521SS..Hα-helixtrans-65.2-39.3176.8-72-26.2000112.2Q130 L131 D132 K137 L138Q130-N134 WeakPolarHBondContact O-CB 3.36Å; Q130-N134 PolarHBondContact O-N 3.27Å; Q130-N134 PolarHBondContact O-ND2 3.4Å; L131-N134 PolarHBondContact O-N 2.94Å; D132-N134 VanDerWaalsContact C-N 3.35Å; D132-N134 PolarHBondContact O-N 3.5Å; N134-K137 PolarHBondContact O-N 3.26Å; N134-L138 WeakPolarHBondContact O-CB 3.34Å; N134-L138 PolarHBondContact O-N 3.19Å
135L82.3Confident74.7Confident60 Ų60101.1 Ų101.131%0.31450%0.503SS..Hα-helixtrans-65.5-39173.5-73.1172.8000111.6L131 D132 L138 R139L131-L135 HydrophobicContact CD1-CG 4.43Å; L131-L135 HydrophobicContact CG-CD1 4.15Å; L131-L135 HydrophobicContact CG-CG 4.47Å; L131-L135 WeakPolarHBondContact O-CB 3.5Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.4Å; L131-L135 PolarHBondContact O-N 3.48Å; D132-L135 PolarHBondContact O-N 3Å; L135-L138 PolarHBondContact O-N 3.26Å; L135-R139 WeakPolarHBondContact O-CB 3.22Å; L135-R139 PolarHBondContact O-N 3.46Å
136G78.5Confident74.3Confident31 Ų3192.9 Ų92.932%0.3247%0.473SS..Hα-helixtrans-61.7-48.2173.800000112.4D132 E133 L138 R139 N140D132-G136 PolarHBondContact O-N 3.36Å; E133-G136 PolarHBondContact O-N 2.68Å; G136-L138 PolarHBondContact O-N 3.35Å; G136-R139 PolarHBondContact O-N 3.42Å; G136-N140 PolarHBondContact O-N 2.95Å; G136-N140 PolarHBondContact O-ND2 3.35Å
137K78.7Confident73.7Confident104 Ų10489.3 Ų89.345%0.45246%0.462SS..Hα-helixtrans-58.5-46.8174.3-73.5172.4-175.2164.60111.3E133 N134 R139 N140 N141E133-K137 WeakPolarHBondContact O-CG 3.43Å; E133-K137 PolarHBondContact O-N 2.98Å; E133-K137 WeakPolarHBondContact OE1-CE 3.35Å; E133-K137 IonicContact OE1-NZ 2.69Å; E133-K137 PolarHBondContact OE1-NZ 3.24Å; N134-K137 PolarHBondContact O-N 3.26Å; K137-R139 PolarHBondContact O-N 3.09Å; K137-N140 PolarHBondContact O-N 3.43Å; K137-N141 WeakPolarHBondContact O-CB 3.38Å; K137-N141 VanDerWaalsContact O-CG 3.23Å; K137-N141 PolarHBondContact O-N 3.08Å; K137-N141 PolarHBondContact O-ND2 2.93Å
138L75.3Confident72.9Confident81 Ų8189.8 Ų89.842%0.42447%0.465SS..Hα-helixtrans-61.4-44.7178.1-175.162.5000111.7T22 N134 L135 G136 N140 N141 V142T22-L138 HydrophobicContact CG2-CD2 4.5Å; N134-L138 WeakPolarHBondContact O-CB 3.34Å; N134-L138 PolarHBondContact O-N 3.19Å; L135-L138 PolarHBondContact O-N 3.26Å; G136-L138 PolarHBondContact O-N 3.35Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 3.25Å; L138-N141 PolarHBondContact O-N 2.95Å; L138-V142 HydrophobicContact CD1-CG2 4.44Å; L138-V142 WeakPolarHBondContact O-CB 3.49Å; L138-V142 VanDerWaalsContact O-CG2 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.46Å; L138-V142 PolarHBondContact O-N 3.43Å
139R77.1Confident72.1Confident198 Ų19890.3 Ų90.375%0.74747%0.468SS*.Hα-helixtrans-60.6-42.5178-173.5177.9-179.1179.2-0.3112.1L135 G136 K137 V142 K143L135-R139 WeakPolarHBondContact O-CB 3.22Å; L135-R139 PolarHBondContact O-N 3.46Å; G136-R139 PolarHBondContact O-N 3.42Å; K137-R139 PolarHBondContact O-N 3.09Å; R139-V142 PolarHBondContact O-N 3.49Å; R139-K143 WeakPolarHBondContact O-CB 3.39Å; R139-K143 PolarHBondContact O-N 3.24Å
140N73.1Confident71.5Confident106 Ų10691.4 Ų91.457%0.56746%0.464SS*.Hα-helixtrans-65.8-43.9177.4-72.4-19.9000111.7G136 K137 L138 V142 K143 F144G136-N140 PolarHBondContact O-N 2.95Å; G136-N140 PolarHBondContact O-ND2 3.35Å; K137-N140 PolarHBondContact O-N 3.43Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 3.25Å; N140-V142 VanDerWaalsContact C-N 3.35Å; N140-V142 PolarHBondContact O-N 3.32Å; N140-K143 PolarHBondContact O-N 2.95Å; N140-F144 PolarHBondContact O-N 2.91Å
141N67.6Low71.1Confident103 Ų10387 Ų8755%0.55145%0.451SS*.Hα-helixtrans-62.5-42.3176.4-69.6-13.4000111.6K137 L138 F144 V145K137-N141 WeakPolarHBondContact O-CB 3.38Å; K137-N141 VanDerWaalsContact O-CG 3.23Å; K137-N141 PolarHBondContact O-N 3.08Å; K137-N141 PolarHBondContact O-ND2 2.93Å; L138-N141 PolarHBondContact O-N 2.95Å; N141-F144 PolarHBondContact O-N 3.47Å; N141-V145 WeakPolarHBondContact O-CG2 3.29Å; N141-V145 PolarHBondContact O-N 3.3Å
142V74.3Confident71.4Confident61 Ų6184.5 Ų84.537%0.3744%0.438SS..Hα-helixtrans-62.9-42.7175.2170.80000111.2L138 R139 N140 F144 V145 K146L138-V142 HydrophobicContact CD1-CG2 4.44Å; L138-V142 WeakPolarHBondContact O-CB 3.49Å; L138-V142 VanDerWaalsContact O-CG2 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.46Å; L138-V142 PolarHBondContact O-N 3.43Å; R139-V142 PolarHBondContact O-N 3.49Å; N140-V142 VanDerWaalsContact C-N 3.35Å; N140-V142 PolarHBondContact O-N 3.32Å; V142-F144 VanDerWaalsContact C-N 3.35Å; V142-F144 PolarHBondContact O-N 3.45Å; V142-V145 PolarHBondContact O-N 2.94Å; V142-K146 VanDerWaalsContact O-CB 3.29Å; V142-K146 WeakPolarHBondContact O-CB 3.32Å; V142-K146 PolarHBondContact O-N 2.89Å
143K69.6Low72.1Confident133 Ų13382.8 Ų82.858%0.57843%0.426SS*.Hα-helixtrans-62.3-41.8176.3-170.4178.9-178.7-177.20111.7R139 N140 K146 N147R139-K143 WeakPolarHBondContact O-CB 3.39Å; R139-K143 PolarHBondContact O-N 3.24Å; N140-K143 PolarHBondContact O-N 2.95Å; K143-K146 PolarHBondContact O-N 3.45Å; K143-N147 WeakPolarHBondContact O-CB 3.38Å; K143-N147 PolarHBondContact O-N 2.9Å
144F65.4Low72.3Confident119 Ų11982 Ų8252%0.52242%0.422SS..Hα-helixtrans-61.2-49.8174.5177.7-92.5000111.5N140 N141 V142 K146 N147 V148 V149N140-F144 PolarHBondContact O-N 2.91Å; N141-F144 PolarHBondContact O-N 3.47Å; V142-F144 VanDerWaalsContact C-N 3.35Å; V142-F144 PolarHBondContact O-N 3.45Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 3.02Å; F144-N147 PolarHBondContact O-N 3.49Å; F144-V148 HydrophobicContact CD2-CB 4.05Å; F144-V148 HydrophobicContact CD2-CG2 3.63Å; F144-V148 HydrophobicContact CE1-CB 4.41Å; F144-V148 HydrophobicContact CE2-CB 3.84Å; F144-V148 HydrophobicContact CE2-CG1 3.83Å; F144-V148 HydrophobicContact CE2-CG2 3.69Å; F144-V148 HydrophobicContact CG-CB 4.43Å; F144-V148 HydrophobicContact CG-CG2 4.3Å; F144-V148 HydrophobicContact CZ-CB 4.03Å; F144-V148 HydrophobicContact CZ-CG1 3.81Å; F144-V148 HydrophobicContact CZ-CG2 4.39Å; F144-V148 WeakPolarHBondContact O-CA 3.29Å; F144-V148 VanDerWaalsContact O-CB 3.29Å; F144-V148 WeakPolarHBondContact O-CB 3.24Å; F144-V148 PolarHBondContact O-N 3.08Å; F144-V149 HydrophobicContact CD1-CG2 4.28Å; F144-V149 HydrophobicContact CE1-CG2 3.89Å
145V67.1Low72.9Confident46 Ų4679 Ų7928%0.27941%0.407SS..Iπ-helixtrans-60.8-41178.8172.50000111.4L15 N141 V142 V149 L150L15-V145 HydrophobicContact CD2-CG1 4.35Å; N141-V145 WeakPolarHBondContact O-CG2 3.29Å; N141-V145 PolarHBondContact O-N 3.3Å; V142-V145 PolarHBondContact O-N 2.94Å; V145-V149 HydrophobicContact CG1-CB 4.46Å; V145-V149 WeakPolarHBondContact O-CB 3.46Å; V145-V149 PolarHBondContact O-N 3.17Å; V145-L150 HydrophobicContact CG1-CD1 4.21Å; V145-L150 HydrophobicContact CG1-CG 4.43Å; V145-L150 PolarHBondContact O-N 2.87Å
146K63.9Low73Confident32 Ų3285 Ų8514%0.13943%0.434CS..Iπ-helixtrans-63.2-47.8178.7-173179-172.2172.30112.7V142 K143 F144 G151 L152 E154V142-K146 VanDerWaalsContact O-CB 3.29Å; V142-K146 WeakPolarHBondContact O-CB 3.32Å; V142-K146 PolarHBondContact O-N 2.89Å; K143-K146 PolarHBondContact O-N 3.45Å; F144-K146 VanDerWaalsContact C-N 3.3Å; F144-K146 PolarHBondContact O-N 3.02Å; K146-G151 PolarHBondContact O-N 2.94Å; K146-G151 VanDerWaalsContact O-N 3.17Å; K146-L152 HydrophobicContact CG-CB 3.81Å; K146-L152 HydrophobicContact CG-CD1 3.9Å; K146-L152 HydrophobicContact CG-CG 4.47Å; K146-L152 PolarHBondContact O-N 3.42Å; K146-E154 WeakPolarHBondContact CE-OE2 3.44Å; K146-E154 IonicContact NZ-OE1 3.86Å; K146-E154 PolarHBondContact NZ-OE1 3.48Å; K146-E154 IonicContact NZ-OE2 3.73Å; K146-E154 PolarHBondContact NZ-OE2 3.35Å
147N59.8Low73.5Confident84 Ų8487.4 Ų87.445%0.44944%0.439SS..Iπ-helixtrans-89.4-41.1-170.3-66.1-3.9000112.9K143 F144 G151K143-N147 WeakPolarHBondContact O-CB 3.38Å; K143-N147 PolarHBondContact O-N 2.9Å; F144-N147 PolarHBondContact O-N 3.49Å; N147-G151 WeakPolarHBondContact O-CA 3.44Å
148V58.1Low74Confident97 Ų9786 Ų8659%0.58843%0.431SS*.Iπ-helixtrans-93.1-41.4-172.3-175.40000111.4F144F144-V148 HydrophobicContact CD2-CB 4.05Å; F144-V148 HydrophobicContact CD2-CG2 3.63Å; F144-V148 HydrophobicContact CE1-CB 4.41Å; F144-V148 HydrophobicContact CE2-CB 3.84Å; F144-V148 HydrophobicContact CE2-CG1 3.83Å; F144-V148 HydrophobicContact CE2-CG2 3.69Å; F144-V148 HydrophobicContact CG-CB 4.43Å; F144-V148 HydrophobicContact CG-CG2 4.3Å; F144-V148 HydrophobicContact CZ-CB 4.03Å; F144-V148 HydrophobicContact CZ-CG1 3.81Å; F144-V148 HydrophobicContact CZ-CG2 4.39Å; F144-V148 WeakPolarHBondContact O-CA 3.29Å; F144-V148 VanDerWaalsContact O-CB 3.29Å; F144-V148 WeakPolarHBondContact O-CB 3.24Å; F144-V148 PolarHBondContact O-N 3.08Å
149V60.1Low74.8Confident94 Ų9485.9 Ų85.957%0.5743%0.425SS*.Iπ-helixtrans-90.6-43.8-172.7-176.50000112F144 V145F144-V149 HydrophobicContact CD1-CG2 4.28Å; F144-V149 HydrophobicContact CE1-CG2 3.89Å; V145-V149 HydrophobicContact CG1-CB 4.46Å; V145-V149 WeakPolarHBondContact O-CB 3.46Å; V145-V149 PolarHBondContact O-N 3.17Å
150L63.5Low75.6Confident61 Ų6176.5 Ų76.532%0.31939%0.39SS..SBendtrans-98.8-16.4-178-62.6174.9000113.5L15 V145 L152L15-L150 HydrophobicContact CD2-CD1 4.3Å; V145-L150 HydrophobicContact CG1-CD1 4.21Å; V145-L150 HydrophobicContact CG1-CG 4.43Å; V145-L150 PolarHBondContact O-N 2.87Å; L150-L152 HydrophobicContact CB-CD1 4.01Å; L150-L152 HydrophobicContact CB-CG 3.9Å; L150-L152 HydrophobicContact CD1-CD1 3.86Å; L150-L152 PolarHBondContact O-N 3.46Å
151G71Confident76.5Confident28 Ų2872.7 Ų72.729%0.28937%0.37SS..  trans58.225.5-177.400000113.7K146 N147 Y198K146-G151 PolarHBondContact O-N 2.94Å; K146-G151 VanDerWaalsContact O-N 3.17Å; N147-G151 WeakPolarHBondContact O-CA 3.44Å; G151-Y198 WeakPolarHBondContact O-CE2 3.47Å; G151-Y198 PolarHBondContact O-OH 3.12Å
152L83Confident77.7Confident33 Ų3368.5 Ų68.517%0.17335%0.347CS..  trans-62.1134.8-175.6-77.1164000110.8K146 L150 Y160 L161K146-L152 HydrophobicContact CG-CB 3.81Å; K146-L152 HydrophobicContact CG-CD1 3.9Å; K146-L152 HydrophobicContact CG-CG 4.47Å; K146-L152 PolarHBondContact O-N 3.42Å; L150-L152 HydrophobicContact CB-CD1 4.01Å; L150-L152 HydrophobicContact CB-CG 3.9Å; L150-L152 HydrophobicContact CD1-CD1 3.86Å; L150-L152 PolarHBondContact O-N 3.46Å; L152-Y160 WeakPolarHBondContact CA-O 3.43Å; L152-Y160 WeakPolarHBondContact CD2-O 3.48Å; L152-L161 HydrophobicContact CD2-CB 3.55Å; L152-L161 HydrophobicContact CD2-CD1 3.62Å; L152-L161 HydrophobicContact CD2-CG 4.11Å; L152-L161 HydrophobicContact CG-CD1 4.2Å
153K87.1Confident78.6Confident64 Ų6466 Ų6628%0.27833%0.332SS..EExtended strand (participates in β ladder)trans-93.8146.3166.5-64.4-65.4-174.2178.30109.9Y159 Y160 L194 Y198K153-Y159 WeakPolarHBondContact O-CA 3.49Å; K153-Y160 PolarHBondContact N-O 3.06Å; K153-Y160 PolarHBondContact O-N 2.77Å; K153-L194 HydrophobicContact CB-CD2 4.01Å; K153-L194 HydrophobicContact CG-CD2 4.49Å; K153-Y198 HydrophobicContact CB-CD1 4.25Å; K153-Y198 HydrophobicContact CB-CE1 4.37Å; K153-Y198 HydrophobicContact CD-CD2 4.37Å; K153-Y198 HydrophobicContact CD-CG 4.48Å; K153-Y198 HydrophobicContact CG-CD1 3.62Å; K153-Y198 HydrophobicContact CG-CD2 3.7Å; K153-Y198 HydrophobicContact CG-CE1 3.92Å; K153-Y198 HydrophobicContact CG-CE2 4Å; K153-Y198 HydrophobicContact CG-CG 3.51Å
154E86.6Confident79.7Confident95 Ų9565.4 Ų65.444%0.44433%0.329SS..EExtended strand (participates in β ladder)trans-130.3131.7-174.5172.6174.3-151.600109.6K146 Y159 K280K146-E154 WeakPolarHBondContact CE-OE2 3.44Å; K146-E154 IonicContact NZ-OE1 3.86Å; K146-E154 PolarHBondContact NZ-OE1 3.48Å; K146-E154 IonicContact NZ-OE2 3.73Å; K146-E154 PolarHBondContact NZ-OE2 3.35Å; E154-Y159 HydrophobicContact CB-CD1 4Å; E154-Y159 HydrophobicContact CB-CE1 4.22Å; E154-Y159 HydrophobicContact CG-CD1 3.94Å; E154-Y159 HydrophobicContact CG-CE1 3.72Å; E154-Y159 WeakPolarHBondContact OE1-CE1 3.31Å; E154-K280 VanDerWaalsContact CG-NZ 3.3Å; E154-K280 WeakPolarHBondContact OE1-CE 3.33Å; E154-K280 IonicContact OE1-NZ 2.59Å; E154-K280 PolarHBondContact OE1-NZ 2.93Å
155T88.1Confident80.9Confident29 Ų2964 Ų6418%0.17833%0.325CS..  trans-104.7-174.9163.358.20000109D157 R158 Y160 L194 K280T155-D157 VanDerWaalsContact C-N 3.28Å; T155-D157 PolarHBondContact O-N 2.59Å; T155-D157 PolarHBondContact OG1-OD1 3.29Å; T155-R158 PolarHBondContact N-O 3.36Å; T155-R158 PolarHBondContact OG1-N 2.81Å; T155-R158 PolarHBondContact OG1-O 3.36Å; T155-Y160 HydrophobicContact CG2-CD2 4.43Å; T155-Y160 HydrophobicContact CG2-CE2 3.65Å; T155-L194 HydrophobicContact CG2-CD1 3.68Å; T155-K280 WeakPolarHBondContact O-CE 3.42Å; T155-K280 PolarHBondContact O-NZ 3.12Å
156E84.6Confident82.3Confident187 Ų18765.8 Ų65.887%0.87434%0.337SS*.SBendtrans-62.4-38.1175.7-65.8-179.5176.500112.3K280E156-K280 VanDerWaalsContact O-CD 3.31Å; E156-K280 WeakPolarHBondContact O-CD 3.21Å; E156-K280 WeakPolarHBondContact O-CE 3.33Å; E156-K280 PolarHBondContact O-NZ 3.4Å; E156-K280 VanDerWaalsContact O-NZ 3.11Å
157D88.7Confident83.8Confident80 Ų8066.6 Ų66.643%0.42834%0.34SS..SBendtrans-109.1-16.2-168.667.9-37.1000114.4T155 K280T155-D157 VanDerWaalsContact C-N 3.28Å; T155-D157 PolarHBondContact O-N 2.59Å; T155-D157 PolarHBondContact OG1-OD1 3.29Å; D157-K280 WeakPolarHBondContact O-CB 3.01Å; D157-K280 WeakPolarHBondContact O-CG 3.29Å; D157-K280 PolarHBondContact O-N 3.32Å
158R90.4Very high85.6Confident76 Ų7666.5 Ų66.529%0.28734%0.336SS..EExtended strand (participates in β ladder)trans-141.2159.5-172-66.7176.6-170.1-96.5-10.6114.5T155 Y160 E277 F278T155-R158 PolarHBondContact N-O 3.36Å; T155-R158 PolarHBondContact OG1-N 2.81Å; T155-R158 PolarHBondContact OG1-O 3.36Å; R158-Y160 HydrophobicContact CB-CE2 3.99Å; R158-E277 IonicContact CZ-OE1 3.59Å; R158-E277 IonicContact NH1-OE1 3.35Å; R158-E277 PolarHBondContact NH1-OE1 3.11Å; R158-F278 CarbonylContact C-O 3.53Å; R158-F278 VanDerWaalsContact CA-O 3.25Å; R158-F278 WeakPolarHBondContact CA-O 2.97Å
159Y91Very high87.4Confident77 Ų7762.5 Ų62.530%0.30231%0.311SS..EExtended strand (participates in β ladder)trans-113.3140.7165.9-57.9-57.2000110.7K153 E154 E277 F278 K280K153-Y159 WeakPolarHBondContact O-CA 3.49Å; E154-Y159 HydrophobicContact CB-CD1 4Å; E154-Y159 HydrophobicContact CB-CE1 4.22Å; E154-Y159 HydrophobicContact CG-CD1 3.94Å; E154-Y159 HydrophobicContact CG-CE1 3.72Å; E154-Y159 WeakPolarHBondContact OE1-CE1 3.31Å; Y159-E277 CarbonylContact O-C 3.6Å; Y159-E277 VanDerWaalsContact O-CA 3.31Å; Y159-E277 WeakPolarHBondContact O-CA 3.35Å; Y159-F278 PolarHBondContact N-O 3.46Å; Y159-F278 PolarHBondContact O-N 3.1Å; Y159-K280 HydrophobicContact CD2-CG 4.08Å; Y159-K280 HydrophobicContact CE1-CD 3.98Å; Y159-K280 VanDerWaalsContact CE1-CE 3.42Å; Y159-K280 HydrophobicContact CE1-CG 4.15Å; Y159-K280 HydrophobicContact CE2-CD 4.22Å; Y159-K280 HydrophobicContact CE2-CG 3.65Å
160Y94.4Very high89.1Confident1 Ų168 Ų680%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-118.2127.7176.4-59.8-90.2000110.1L152 K153 T155 R158 A184 I191 L194 M195 I275 C276 E277L152-Y160 WeakPolarHBondContact CA-O 3.43Å; L152-Y160 WeakPolarHBondContact CD2-O 3.48Å; K153-Y160 PolarHBondContact N-O 3.06Å; K153-Y160 PolarHBondContact O-N 2.77Å; T155-Y160 HydrophobicContact CG2-CD2 4.43Å; T155-Y160 HydrophobicContact CG2-CE2 3.65Å; R158-Y160 HydrophobicContact CB-CE2 3.99Å; Y160-A184 HydrophobicContact CD1-CB 4.02Å; Y160-A184 HydrophobicContact CE1-CB 4.23Å; Y160-I191 HydrophobicContact CE1-CG2 4.2Å; Y160-I191 WeakPolarHBondContact OH-CG2 3.4Å; Y160-L194 HydrophobicContact CD2-CD2 4.07Å; Y160-L194 HydrophobicContact CE2-CD2 4.44Å; Y160-L194 HydrophobicContact CG-CD2 4.44Å; Y160-M195 HydrophobicContact CD1-CG 4.44Å; Y160-M195 HydrophobicContact CD1-SD 4.18Å; Y160-M195 HydrophobicContact CE1-SD 4.27Å; Y160-I275 HydrophobicContact CD1-CG2 4.24Å; Y160-C276 CarbonylContact C-O 3.4Å; Y160-C276 WeakPolarHBondContact CA-O 3.4Å; Y160-E277 HydrophobicContact CD1-CB 3.96Å; Y160-E277 HydrophobicContact CE1-CB 3.86Å
161L92.8Very high90.7Very high27 Ų2769.3 Ų69.314%0.14133%0.326CS..EExtended strand (participates in β ladder)trans-119118.7179.3178.762.9000110.2L152 V163 I275 C276 F278L152-L161 HydrophobicContact CD2-CB 3.55Å; L152-L161 HydrophobicContact CD2-CD1 3.62Å; L152-L161 HydrophobicContact CD2-CG 4.11Å; L152-L161 HydrophobicContact CG-CD1 4.2Å; L161-V163 HydrophobicContact CD2-CG2 4.21Å; L161-V163 HydrophobicContact CG-CG2 4.16Å; L161-I275 WeakPolarHBondContact O-CA 3.41Å; L161-C276 PolarHBondContact N-O 3.19Å; L161-C276 PolarHBondContact O-N 2.95Å; L161-F278 HydrophobicContact CB-CE2 3.87Å; L161-F278 HydrophobicContact CD2-CE2 4.35Å
162L93Very high91.9Very high15 Ų1568 Ų688%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-82.4116.9170.5178.965.7000110.4K164 Y198 A202 L204 V207 I275L162-K164 HydrophobicContact CD2-CG 4.44Å; L162-K164 HydrophobicContact CG-CG 4.32Å; L162-Y198 HydrophobicContact CB-CD1 4.28Å; L162-Y198 HydrophobicContact CB-CE1 3.52Å; L162-Y198 HydrophobicContact CB-CE2 4.02Å; L162-Y198 WeakPolarHBondContact CB-OH 3.38Å; L162-Y198 HydrophobicContact CD2-CE2 4.33Å; L162-Y198 PolarHBondContact N-OH 2.84Å; L162-A202 HydrophobicContact CD2-CB 3.25Å; L162-L204 HydrophobicContact CD1-CD1 3.8Å; L162-L204 HydrophobicContact CD2-CD1 3.65Å; L162-L204 HydrophobicContact CG-CD1 4.1Å; L162-V207 HydrophobicContact CD1-CG1 3.8Å; L162-I275 HydrophobicContact CD1-CD1 4.44Å; L162-I275 HydrophobicContact CD1-CG1 3.72Å
163V93.1Very high92.6Very high9 Ų967.2 Ų67.26%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-97.5105.3178.1-176.30000109.5L161 E165 F274L161-V163 HydrophobicContact CD2-CG2 4.21Å; L161-V163 HydrophobicContact CG-CG2 4.16Å; V163-E165 HydrophobicContact CG1-CB 4.03Å; V163-E165 HydrophobicContact CG1-CG 4.42Å; V163-E165 PolarHBondContact O-N 3.44Å; V163-F274 HydrophobicContact CB-CD1 4.37Å; V163-F274 HydrophobicContact CB-CD2 4Å; V163-F274 HydrophobicContact CB-CE1 4Å; V163-F274 HydrophobicContact CB-CE2 3.61Å; V163-F274 HydrophobicContact CB-CG 4.36Å; V163-F274 HydrophobicContact CB-CZ 3.61Å; V163-F274 HydrophobicContact CG1-CE1 3.81Å; V163-F274 HydrophobicContact CG1-CE2 3.95Å; V163-F274 HydrophobicContact CG1-CZ 3.43Å; V163-F274 VanDerWaalsContact CG1-CZ 3.43Å; V163-F274 HydrophobicContact CG2-CD2 4.16Å; V163-F274 HydrophobicContact CG2-CE2 3.65Å; V163-F274 HydrophobicContact CG2-CZ 4.05Å; V163-F274 PolarHBondContact N-O 3.06Å; V163-F274 PolarHBondContact O-N 3.17Å
164K92.2Very high93Very high120 Ų12068.6 Ų68.652%0.52232%0.318SS..EExtended strand (participates in β ladder)trans-81.838.9177.6-55.1-168.8-175.2-166.60113L162 A202 F273L162-K164 HydrophobicContact CD2-CG 4.44Å; L162-K164 HydrophobicContact CG-CG 4.32Å; K164-A202 PolarHBondContact NZ-O 3.01Å; K164-F273 VanDerWaalsContact C-CD1 3.43Å; K164-F273 VanDerWaalsContact C-CE1 3.43Å; K164-F273 HydrophobicContact CB-CE1 4.47Å; K164-F273 WeakPolarHBondContact O-CE1 3.48Å
165E91.5Very high93.4Very high90 Ų9065.5 Ų65.542%0.42130%0.304SS..EExtended strand (participates in β ladder)trans-121.6113173.9-66.6175.1-156.100107K12 V163 K167 F274K12-E165 IonicContact NZ-OE1 2.66Å; K12-E165 PolarHBondContact NZ-OE1 2.59Å; V163-E165 HydrophobicContact CG1-CB 4.03Å; V163-E165 HydrophobicContact CG1-CG 4.42Å; V163-E165 PolarHBondContact O-N 3.44Å; E165-K167 PolarHBondContact O-N 2.69Å; E165-F274 VanDerWaalsContact O-CE1 3.31Å; E165-F274 WeakPolarHBondContact O-CE1 3.42Å
166P94.6Very high93.8Very high82 Ų8264.1 Ų64.153%0.53230%0.296SS..EExtended strand (participates in β ladder)trans-73.6132.6-169.230.8-28.9000109.8P271 L272 F273P166-P271 HydrophobicContact CB-CB 4.39Å; P166-L272 WeakPolarHBondContact CA-O 3.37Å; P166-F273 HydrophobicContact CB-CD1 4.05Å; P166-F273 HydrophobicContact CB-CE1 3.95Å; P166-F273 HydrophobicContact CG-CE1 4.12Å
167K96.4Very high94.3Very high50 Ų5060.7 Ų60.722%0.21728%0.278CS..EExtended strand (participates in β ladder)trans-143.5152.3-175.5-72.5-168.3159.8-63.90111.1E165 E171 A172 N175 Y208 L272 F274E165-K167 PolarHBondContact O-N 2.69Å; K167-E171 HydrophobicContact CB-CB 4.1Å; K167-E171 HydrophobicContact CD-CB 4.14Å; K167-E171 HydrophobicContact CG-CB 4.47Å; K167-E171 IonicContact NZ-OE2 3.43Å; K167-E171 PolarHBondContact NZ-OE2 3.29Å; K167-A172 HydrophobicContact CB-CB 4.17Å; K167-N175 HydrophobicContact CD-CB 4.5Å; K167-Y208 WeakPolarHBondContact O-CE2 3.34Å; K167-L272 PolarHBondContact N-O 3.28Å; K167-L272 PolarHBondContact O-N 2.73Å; K167-F274 HydrophobicContact CB-CD1 4.29Å; K167-F274 HydrophobicContact CB-CE1 3.82Å; K167-F274 HydrophobicContact CD-CE1 3.78Å; K167-F274 HydrophobicContact CD-CZ 3.98Å; K167-F274 HydrophobicContact CG-CE1 3.89Å
168K97.1Very high94.5Very high82 Ų8263.7 Ų63.736%0.35729%0.294SS..  trans-64.1155.1167-59.1-176.8169.9-168.60110R170 E171 A172 E269K168-R170 VanDerWaalsContact C-N 3.33Å; K168-R170 PolarHBondContact O-N 3.39Å; K168-E171 PolarHBondContact O-N 3.41Å; K168-A172 WeakPolarHBondContact O-CB 3.08Å; K168-A172 PolarHBondContact O-N 3.31Å; K168-E269 VanDerWaalsContact CD-OE2 3.3Å; K168-E269 WeakPolarHBondContact CD-OE2 3.46Å; K168-E269 VanDerWaalsContact CE-OE2 3.29Å; K168-E269 WeakPolarHBondContact CE-OE2 3.06Å; K168-E269 IonicContact NZ-OE2 3.67Å; K168-E269 PolarHBondContact NZ-OE2 3.27Å
169F95.9Very high94.5Very high13 Ų1362.9 Ų62.96%0.05729%0.29CS..Hα-helixtrans-54.6-46.1-174.3-176.1-95.4000113.4E171 A172 S173 L183 Y208 V209 Q212 C254 C268F169-E171 VanDerWaalsContact C-N 3.34Å; F169-E171 PolarHBondContact O-N 3.06Å; F169-A172 PolarHBondContact O-N 3.14Å; F169-S173 WeakPolarHBondContact O-CB 3.48Å; F169-S173 PolarHBondContact O-N 2.87Å; F169-L183 HydrophobicContact CD2-CD1 4.16Å; F169-L183 HydrophobicContact CE1-CD1 4.48Å; F169-L183 HydrophobicContact CE2-CD1 3.74Å; F169-L183 HydrophobicContact CZ-CD1 3.92Å; F169-Y208 HydrophobicContact CB-CE1 4.3Å; F169-Y208 HydrophobicContact CB-CE2 4.26Å; F169-Y208 AromaticContact CD2-CD1 3.74Å; F169-Y208 HydrophobicContact CD2-CD1 3.74Å; F169-Y208 AromaticContact CD2-CE1 3.96Å; F169-Y208 HydrophobicContact CD2-CE1 3.96Å; F169-Y208 HydrophobicContact CD2-CG 4.09Å; F169-Y208 HydrophobicContact CE2-CD1 4.45Å; F169-V209 WeakPolarHBondContact CE2-O 3.41Å; F169-Q212 HydrophobicContact CE1-CB 4.4Å; F169-Q212 HydrophobicContact CE1-CG 4.36Å; F169-Q212 HydrophobicContact CZ-CB 4.18Å; F169-C254 HydrophobicContact CB-CB 4.38Å; F169-C254 VanDerWaalsContact CB-SG 3.5Å; F169-C254 WeakPolarHBondContact CD1-SG 3.23Å; F169-C254 HydrophobicContact CD2-CB 3.81Å; F169-C254 WeakPolarHBondContact CD2-SG 3.33Å; F169-C254 HydrophobicContact CE2-CB 4.22Å; F169-C254 HydrophobicContact CG-CB 4.11Å; F169-C254 WeakPolarHBondContact CG-SG 3.42Å; F169-C268 HydrophobicContact CB-CB 4.09Å; F169-C268 WeakPolarHBondContact CB-O 3.13Å; F169-C268 PolarHBondContact N-O 2.84Å
170R95.4Very high94.5Very high208 Ų20862 Ų6279%0.78531%0.305SS*.Hα-helixtrans-61.4-42.1179.1-173.4176.3-179.9174.60.5112K168 M174K168-R170 VanDerWaalsContact C-N 3.33Å; K168-R170 PolarHBondContact O-N 3.39Å; R170-M174 WeakPolarHBondContact O-CG 3.36Å; R170-M174 PolarHBondContact O-N 2.86Å
171E97.3Very high94.5Very high90 Ų9062.7 Ų62.742%0.42131%0.313SS..Hα-helixtrans-69.1-39.3177.1-68.2-176.7-149.800112.5K167 K168 F169 M174 N175K167-E171 HydrophobicContact CB-CB 4.1Å; K167-E171 HydrophobicContact CD-CB 4.14Å; K167-E171 HydrophobicContact CG-CB 4.47Å; K167-E171 IonicContact NZ-OE2 3.43Å; K167-E171 PolarHBondContact NZ-OE2 3.29Å; K168-E171 PolarHBondContact O-N 3.41Å; F169-E171 VanDerWaalsContact C-N 3.34Å; F169-E171 PolarHBondContact O-N 3.06Å; E171-M174 PolarHBondContact O-N 3.06Å; E171-N175 WeakPolarHBondContact O-CB 3.33Å; E171-N175 PolarHBondContact O-N 3.1Å
172A97.2Very high94.7Very high0 Ų062.4 Ų62.40%031%0.314CS..Hα-helixtrans-62-46.2176.100000110.8K167 K168 F169 M174 N175 C176 L183 F274K167-A172 HydrophobicContact CB-CB 4.17Å; K168-A172 WeakPolarHBondContact O-CB 3.08Å; K168-A172 PolarHBondContact O-N 3.31Å; F169-A172 PolarHBondContact O-N 3.14Å; A172-M174 PolarHBondContact O-N 3.4Å; A172-N175 WeakPolarHBondContact O-CB 3.17Å; A172-N175 PolarHBondContact O-N 3.41Å; A172-N175 VanDerWaalsContact O-N 3.14Å; A172-C176 PolarHBondContact O-N 2.88Å; A172-C176 VanDerWaalsContact O-N 3.1Å; A172-C176 PolarHBondContact O-SG 3.46Å; A172-L183 HydrophobicContact CB-CD2 4.19Å; A172-F274 HydrophobicContact CB-CB 4.06Å; A172-F274 HydrophobicContact CB-CD1 3.58Å; A172-F274 HydrophobicContact CB-CD2 3.97Å; A172-F274 HydrophobicContact CB-CE1 3.93Å; A172-F274 HydrophobicContact CB-CE2 4.27Å; A172-F274 HydrophobicContact CB-CG 3.61Å; A172-F274 HydrophobicContact CB-CZ 4.26Å
173S96.6Very high94.9Very high17 Ų1761.7 Ų61.712%0.11931%0.31CS..Hα-helixtrans-56.9-48.6173.8-172.60000111.9F169 N175 C176 K177F169-S173 WeakPolarHBondContact O-CB 3.48Å; F169-S173 PolarHBondContact O-N 2.87Å; S173-N175 VanDerWaalsContact C-N 3.31Å; S173-N175 PolarHBondContact O-N 2.99Å; S173-C176 PolarHBondContact O-N 3.05Å; S173-K177 WeakPolarHBondContact O-CG 3.27Å; S173-K177 PolarHBondContact O-N 3.4Å
174M96.3Very high95.1Very high93 Ų9361.2 Ų61.246%0.45831%0.307SS..Hα-helixtrans-63.5-35.6176.2-71.5-57.9-63.900112.6R170 E171 A172 C176 K177 L178R170-M174 WeakPolarHBondContact O-CG 3.36Å; R170-M174 PolarHBondContact O-N 2.86Å; E171-M174 PolarHBondContact O-N 3.06Å; A172-M174 PolarHBondContact O-N 3.4Å; M174-C176 PolarHBondContact O-N 3.47Å; M174-K177 PolarHBondContact O-N 2.04Å; M174-K177 HydrophobicContact SD-CD 4.23Å; M174-L178 WeakPolarHBondContact O-CB 3.29Å; M174-L178 VanDerWaalsContact O-CG 3.24Å; M174-L178 WeakPolarHBondContact O-CG 3.26Å; M174-L178 PolarHBondContact O-N 2.99Å
175N95.1Very high95.3Very high29 Ų2955.9 Ų55.916%0.15528%0.284CS..Hα-helixtrans-61.2-44.5176.8-161.8-78000111.7K167 E171 A172 S173 R179 F274K167-N175 HydrophobicContact CD-CB 4.5Å; E171-N175 WeakPolarHBondContact O-CB 3.33Å; E171-N175 PolarHBondContact O-N 3.1Å; A172-N175 WeakPolarHBondContact O-CB 3.17Å; A172-N175 PolarHBondContact O-N 3.41Å; A172-N175 VanDerWaalsContact O-N 3.14Å; S173-N175 VanDerWaalsContact C-N 3.31Å; S173-N175 PolarHBondContact O-N 2.99Å; N175-R179 WeakPolarHBondContact O-CD 3.37Å; N175-R179 VanDerWaalsContact O-CG 3.29Å; N175-R179 WeakPolarHBondContact O-CG 3.45Å; N175-R179 PolarHBondContact O-N 2.99Å; N175-R179 PolarHBondContact OD1-NE 3.03Å; N175-F274 HydrophobicContact CB-CE2 3.88Å; N175-F274 HydrophobicContact CB-CZ 3.75Å
176C95.4Very high95.5Very high0 Ų051.6 Ų51.60%026%0.264CS..Hα-helixtrans-68.3-42.7176.6-57.30000111.6A172 S173 M174 L178 R179 G180 G181 A182 C276A172-C176 PolarHBondContact O-N 2.88Å; A172-C176 VanDerWaalsContact O-N 3.1Å; A172-C176 PolarHBondContact O-SG 3.46Å; S173-C176 PolarHBondContact O-N 3.05Å; M174-C176 PolarHBondContact O-N 3.47Å; C176-L178 PolarHBondContact O-N 3.02Å; C176-R179 WeakPolarHBondContact O-CB 3.3Å; C176-R179 PolarHBondContact O-N 3.32Å; C176-R179 VanDerWaalsContact O-N 3.08Å; C176-G180 PolarHBondContact O-N 2.62Å; C176-G181 CarbonylContact C-O 3.41Å; C176-G181 CarbonylContact O-C 3.56Å; C176-G181 PolarHBondContact O-N 2.89Å; C176-A182 VanDerWaalsContact CB-C 3.41Å; C176-A182 WeakPolarHBondContact CB-O 3.34Å; C176-C276 WeakPolarHBondContact CA-SG 3.48Å; C176-C276 HydrophobicContact CB-CB 3.71Å; C176-C276 WeakPolarHBondContact CB-SG 3.22Å; C176-C276 WeakPolarHBondContact SG-CA 3.03Å; C176-C276 WeakPolarHBondContact SG-CB 3.18Å; C176-C276 CovalentContact SG-SG 2.04Å; C176-C276 PolarHBondContact SG-SG 3.32Å
177K95.5Very high95.4Very high115 Ų11551.5 Ų51.550%0.526%0.256SS..Hα-helixtrans-59.4-45.8177.5-73.1177.4-178.8-175.50112.7S173 M174 R179 G180 G181S173-K177 WeakPolarHBondContact O-CG 3.27Å; S173-K177 PolarHBondContact O-N 3.4Å; M174-K177 PolarHBondContact O-N 2.04Å; M174-K177 HydrophobicContact SD-CD 4.23Å; K177-R179 PolarHBondContact O-N 3.43Å; K177-R179 VanDerWaalsContact O-N 3.17Å; K177-G180 PolarHBondContact O-N 2.79Å; K177-G181 VanDerWaalsContact CA-O 3.26Å; K177-G181 WeakPolarHBondContact CA-O 3.49Å; K177-G181 PolarHBondContact N-O 3.02Å
178L92.5Very high95.2Very high144 Ų14452.1 Ų52.175%0.75426%0.263SS*.Hα-helixtrans-64.1-19.6177.7-71.6171.6000113.2M174 C176M174-L178 WeakPolarHBondContact O-CB 3.29Å; M174-L178 VanDerWaalsContact O-CG 3.24Å; M174-L178 WeakPolarHBondContact O-CG 3.26Å; M174-L178 PolarHBondContact O-N 2.99Å; C176-L178 PolarHBondContact O-N 3.02Å
179R91.3Very high95.1Very high58 Ų5851.2 Ų51.222%0.21926%0.263CS..THydrogen-bonded Turntrans-90.32174-65.9169.6-176.8-74.8-7.5113.2N175 C176 K177 F278N175-R179 WeakPolarHBondContact O-CD 3.37Å; N175-R179 VanDerWaalsContact O-CG 3.29Å; N175-R179 WeakPolarHBondContact O-CG 3.45Å; N175-R179 PolarHBondContact O-N 2.99Å; N175-R179 PolarHBondContact OD1-NE 3.03Å; C176-R179 WeakPolarHBondContact O-CB 3.3Å; C176-R179 PolarHBondContact O-N 3.32Å; C176-R179 VanDerWaalsContact O-N 3.08Å; K177-R179 PolarHBondContact O-N 3.43Å; K177-R179 VanDerWaalsContact O-N 3.17Å; R179-F278 HydrophobicContact CB-CE1 3.51Å; R179-F278 HydrophobicContact CB-CZ 3.79Å; R179-F278 WeakPolarHBondContact O-CE1 3.43Å
180G90.6Very high95Very high59 Ų5956.5 Ų56.561%0.60829%0.292SS*.THydrogen-bonded Turntrans80.625.5-176.700000114.1C176 K177C176-G180 PolarHBondContact O-N 2.62Å; K177-G180 PolarHBondContact O-N 2.79Å
181G93.9Very high95Very high16 Ų1648 Ų4817%0.16526%0.261CS..  trans-134-162.4178.300000112.7C176 K177 E277 F278C176-G181 CarbonylContact C-O 3.41Å; C176-G181 CarbonylContact O-C 3.56Å; C176-G181 PolarHBondContact O-N 2.89Å; K177-G181 VanDerWaalsContact CA-O 3.26Å; K177-G181 WeakPolarHBondContact CA-O 3.49Å; K177-G181 PolarHBondContact N-O 3.02Å; G181-E277 CarbonylContact C-O 3.51Å; G181-E277 WeakPolarHBondContact CA-O 3.47Å; G181-F278 VanDerWaalsContact CA-CD1 3.48Å
182A97Very high94.9Very high20 Ų2043.9 Ų43.917%0.16524%0.242CC..EExtended strand (participates in β ladder)trans-135.5170.4174.700000110.2C176 A225 C276 E277C176-A182 VanDerWaalsContact CB-C 3.41Å; C176-A182 WeakPolarHBondContact CB-O 3.34Å; A182-A225 HydrophobicContact CB-CB 4.47Å; A182-C276 CarbonylContact O-C 3.54Å; A182-C276 VanDerWaalsContact O-CA 3.27Å; A182-C276 WeakPolarHBondContact O-CA 3.49Å; A182-E277 HydrophobicContact CB-CG 4.41Å; A182-E277 PolarHBondContact N-O 2.79Å; A182-E277 PolarHBondContact O-N 3.32Å
183L97.6Very high94.9Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-61.6140.2163.9-79.4167.3000108.9F169 A172 M185 A225 F274F169-L183 HydrophobicContact CD2-CD1 4.16Å; F169-L183 HydrophobicContact CE1-CD1 4.48Å; F169-L183 HydrophobicContact CE2-CD1 3.74Å; F169-L183 HydrophobicContact CZ-CD1 3.92Å; A172-L183 HydrophobicContact CB-CD2 4.19Å; L183-M185 WeakPolarHBondContact O-CG 3.26Å; L183-M185 PolarHBondContact O-N 2.85Å; L183-A225 HydrophobicContact CB-CB 4.39Å; L183-F274 HydrophobicContact CD2-CB 3.82Å; L183-F274 HydrophobicContact CD2-CD2 3.98Å; L183-F274 HydrophobicContact CD2-CG 4.24Å
184A97.6Very high94.8Very high0 Ų052.3 Ų52.30%027%0.274CS..  trans-64.8132.3-172.300000112.4Y160 P186 M195 V209 G210 I275 E277Y160-A184 HydrophobicContact CD1-CB 4.02Å; Y160-A184 HydrophobicContact CE1-CB 4.23Å; A184-P186 VanDerWaalsContact O-CD 3.32Å; A184-P186 WeakPolarHBondContact O-CD 3.49Å; A184-M195 HydrophobicContact CB-SD 3.5Å; A184-M195 WeakPolarHBondContact CB-SD 3.49Å; A184-V209 WeakPolarHBondContact O-CB 3.29Å; A184-G210 PolarHBondContact O-N 2.75Å; A184-I275 HydrophobicContact CB-CB 3.92Å; A184-I275 HydrophobicContact CB-CG2 3.66Å; A184-I275 WeakPolarHBondContact CB-O 3.11Å; A184-I275 PolarHBondContact N-O 2.86Å; A184-E277 WeakPolarHBondContact CA-OE2 3.39Å; A184-E277 HydrophobicContact CB-CB 4.13Å; A184-E277 HydrophobicContact CB-CG 4.48Å
185M96.1Very high94.8Very high8 Ų847.9 Ų47.94%0.03925%0.253CS..  trans-110.599.5-173.8-64.7176-70.700109.3L183 K187 Y224 A225 D226 E277L183-M185 WeakPolarHBondContact O-CG 3.26Å; L183-M185 PolarHBondContact O-N 2.85Å; M185-K187 VanDerWaalsContact C-N 3.26Å; M185-K187 HydrophobicContact CB-CG 4.2Å; M185-K187 PolarHBondContact O-N 2.87Å; M185-Y224 HydrophobicContact CB-CD1 3.7Å; M185-Y224 HydrophobicContact CB-CE1 4.21Å; M185-Y224 HydrophobicContact CB-CG 4.41Å; M185-Y224 HydrophobicContact CG-CD1 3.9Å; M185-Y224 HydrophobicContact CG-CG 4.4Å; M185-Y224 HydrophobicContact SD-CD1 4.48Å; M185-Y224 HydrophobicContact SD-CG 4.4Å; M185-A225 HydrophobicContact CG-CB 4.2Å; M185-A225 HydrophobicContact SD-CB 3.99Å; M185-D226 HydrophobicContact CE-CB 3.84Å; M185-D226 HydrophobicContact SD-CB 3.71Å; M185-D226 PolarHBondContact SD-N 2.97Å; M185-D226 VanDerWaalsContact SD-N 3.36Å; M185-E277 WeakPolarHBondContact CE-OE1 2.75Å; M185-E277 PolarHBondContact N-OE2 2.88Å
186P95.3Very high94.9Very high0 Ų046.7 Ų46.70%025%0.247CC..  trans-68.978.2176.724.6-31.9000111.5A184 T188 N192 M195 V209 Y224 F233 W263A184-P186 VanDerWaalsContact O-CD 3.32Å; A184-P186 WeakPolarHBondContact O-CD 3.49Å; P186-T188 VanDerWaalsContact C-N 3.35Å; P186-N192 HydrophobicContact CB-CB 4.09Å; P186-M195 HydrophobicContact CB-CE 3.33Å; P186-M195 HydrophobicContact CG-CE 3.88Å; P186-V209 HydrophobicContact CG-CB 4.46Å; P186-Y224 PolarHBondContact O-OH 2.65Å; P186-F233 HydrophobicContact CB-CE1 4.39Å; P186-F233 WeakPolarHBondContact O-CD1 3.48Å; P186-F233 WeakPolarHBondContact O-CE1 3.45Å; P186-W263 HydrophobicContact CB-CH2 4.43Å; P186-W263 HydrophobicContact CB-CZ2 3.66Å; P186-W263 HydrophobicContact CG-CH2 3.76Å; P186-W263 HydrophobicContact CG-CZ2 3.23Å
187K93.2Very high94.9Very high80 Ų8051 Ų5135%0.34827%0.27SS..  trans-80.5-14.9-178.5-60.6-164.6-176.6-1630114.1M185 Y224 D226 T228M185-K187 VanDerWaalsContact C-N 3.26Å; M185-K187 HydrophobicContact CB-CG 4.2Å; M185-K187 PolarHBondContact O-N 2.87Å; K187-Y224 HydrophobicContact CG-CE1 4.2Å; K187-Y224 HydrophobicContact CG-CE2 4.3Å; K187-D226 IonicContact NZ-OD1 2.86Å; K187-D226 IonicContact NZ-OD2 2.71Å; K187-D226 PolarHBondContact NZ-OD2 3.35Å; K187-T228 PolarHBondContact NZ-OG1 3.39Å
188T93.4Very high94.9Very high62 Ų6246.2 Ų46.238%0.3825%0.249SC..SBendtrans-138.1157.5-178.470.40000111P186 N190 I191 N192P186-T188 VanDerWaalsContact C-N 3.35Å; T188-N190 VanDerWaalsContact C-N 3.27Å; T188-N190 PolarHBondContact O-N 2.8Å; T188-I191 HydrophobicContact CG2-CD1 4.41Å; T188-I191 PolarHBondContact O-N 3.02Å; T188-I191 WeakPolarHBondContact OG1-CD1 3.43Å; T188-I191 VanDerWaalsContact OG1-CG1 3.31Å; T188-I191 WeakPolarHBondContact OG1-CG1 3.18Å; T188-I191 PolarHBondContact OG1-N 3.23Å; T188-N192 WeakPolarHBondContact O-CB 3.48Å; T188-N192 PolarHBondContact O-N 2.88Å
189N93.9Very high95.1Very high64 Ų6439.4 Ų39.434%0.34221%0.213SC..Hα-helixtrans-58-39176.5-17120.6000112.5N192 R193 F233N189-N192 PolarHBondContact O-N 2.87Å; N189-R193 PolarHBondContact ND2-NH2 3.28Å; N189-R193 WeakPolarHBondContact O-CB 3.27Å; N189-R193 WeakPolarHBondContact O-CG 3.47Å; N189-R193 PolarHBondContact O-N 2.85Å; N189-R193 PolarHBondContact OD1-NE 2.89Å; N189-F233 VanDerWaalsContact CA-CZ 3.45Å; N189-F233 HydrophobicContact CB-CD2 4.39Å; N189-F233 HydrophobicContact CB-CE2 3.64Å; N189-F233 HydrophobicContact CB-CZ 4.19Å
190N94Very high95.3Very high124 Ų12439.8 Ų39.866%0.66322%0.224SC*.Hα-helixtrans-64.4-44.2179.3-65.6-11.3000111.5T188 L194T188-N190 VanDerWaalsContact C-N 3.27Å; T188-N190 PolarHBondContact O-N 2.8Å; N190-L194 WeakPolarHBondContact O-CB 3.31Å; N190-L194 PolarHBondContact O-N 2.94Å
191I94.8Very high95.4Very high29 Ų2943.1 Ų43.115%0.14922%0.224CC..Hα-helixtrans-67-40.5177.1-65.3168.5000110.3Y160 T188 L194 M195Y160-I191 HydrophobicContact CE1-CG2 4.2Å; Y160-I191 WeakPolarHBondContact OH-CG2 3.4Å; T188-I191 HydrophobicContact CG2-CD1 4.41Å; T188-I191 PolarHBondContact O-N 3.02Å; T188-I191 WeakPolarHBondContact OG1-CD1 3.43Å; T188-I191 VanDerWaalsContact OG1-CG1 3.31Å; T188-I191 WeakPolarHBondContact OG1-CG1 3.18Å; T188-I191 PolarHBondContact OG1-N 3.23Å; I191-L194 PolarHBondContact O-N 2.61Å; I191-M195 HydrophobicContact CG2-CE 3.86Å; I191-M195 WeakPolarHBondContact O-CG 3.32Å; I191-M195 PolarHBondContact O-N 2.66Å
192N96.1Very high95.3Very high4 Ų443.3 Ų43.32%0.02123%0.225CC..Hα-helixtrans-61.7-48.5177.8-17168.7000112.5P186 T188 N189 M195 A196 F233 L257 G261 W263P186-N192 HydrophobicContact CB-CB 4.09Å; T188-N192 WeakPolarHBondContact O-CB 3.48Å; T188-N192 PolarHBondContact O-N 2.88Å; N189-N192 PolarHBondContact O-N 2.87Å; N192-M195 PolarHBondContact O-N 3.11Å; N192-A196 PolarHBondContact O-N 3.47Å; N192-F233 HydrophobicContact CB-CE1 3.7Å; N192-F233 HydrophobicContact CB-CZ 3.5Å; N192-L257 WeakPolarHBondContact OD1-CD1 3.33Å; N192-G261 PolarHBondContact ND2-O 2.82Å; N192-W263 PolarHBondContact OD1-NE1 2.81Å
193R96.1Very high95.2Very high150 Ų15045.7 Ų45.757%0.56625%0.251SS*.Hα-helixtrans-61.8-44.3175.8-73.7179-178.5179.8-2.4111.9N189 M195 A196 D197N189-R193 PolarHBondContact ND2-NH2 3.28Å; N189-R193 WeakPolarHBondContact O-CB 3.27Å; N189-R193 WeakPolarHBondContact O-CG 3.47Å; N189-R193 PolarHBondContact O-N 2.85Å; N189-R193 PolarHBondContact OD1-NE 2.89Å; R193-M195 PolarHBondContact O-N 3.43Å; R193-A196 WeakPolarHBondContact O-CB 2.95Å; R193-A196 PolarHBondContact O-N 2.7Å; R193-A196 VanDerWaalsContact O-N 3.14Å; R193-D197 PolarHBondContact O-N 3.02Å
194L95.6Very high95Very high44 Ų4446.8 Ų46.823%0.2326%0.256CS..Hα-helixtrans-55.7-42.6175.7178.3154.8000111.6K153 T155 Y160 N190 I191 Y198K153-L194 HydrophobicContact CB-CD2 4.01Å; K153-L194 HydrophobicContact CG-CD2 4.49Å; T155-L194 HydrophobicContact CG2-CD1 3.68Å; Y160-L194 HydrophobicContact CD2-CD2 4.07Å; Y160-L194 HydrophobicContact CE2-CD2 4.44Å; Y160-L194 HydrophobicContact CG-CD2 4.44Å; N190-L194 WeakPolarHBondContact O-CB 3.31Å; N190-L194 PolarHBondContact O-N 2.94Å; I191-L194 PolarHBondContact O-N 2.61Å; L194-Y198 VanDerWaalsContact O-CB 3.3Å; L194-Y198 WeakPolarHBondContact O-CB 3.39Å; L194-Y198 PolarHBondContact O-N 2.94Å
195M96.4Very high94.9Very high0 Ų050.9 Ų50.90%028%0.282CS..Hα-helixtrans-70.7-41176.9-71.6-169.3-65.200112.4Y160 A184 P186 I191 N192 R193 D197 Y198 I199 L257 I275Y160-M195 HydrophobicContact CD1-CG 4.44Å; Y160-M195 HydrophobicContact CD1-SD 4.18Å; Y160-M195 HydrophobicContact CE1-SD 4.27Å; A184-M195 HydrophobicContact CB-SD 3.5Å; A184-M195 WeakPolarHBondContact CB-SD 3.49Å; P186-M195 HydrophobicContact CB-CE 3.33Å; P186-M195 HydrophobicContact CG-CE 3.88Å; I191-M195 HydrophobicContact CG2-CE 3.86Å; I191-M195 WeakPolarHBondContact O-CG 3.32Å; I191-M195 PolarHBondContact O-N 2.66Å; N192-M195 PolarHBondContact O-N 3.11Å; R193-M195 PolarHBondContact O-N 3.43Å; M195-D197 PolarHBondContact O-N 3.39Å; M195-Y198 WeakPolarHBondContact O-CB 3.32Å; M195-Y198 PolarHBondContact O-N 3.21Å; M195-Y198 VanDerWaalsContact O-N 3.14Å; M195-I199 WeakPolarHBondContact O-CD1 3.48Å; M195-I199 WeakPolarHBondContact O-CG1 3.25Å; M195-I199 PolarHBondContact O-N 3.01Å; M195-L257 HydrophobicContact CB-CD2 3.55Å; M195-L257 HydrophobicContact CE-CD2 4.11Å; M195-I275 HydrophobicContact CB-CD1 4.05Å; M195-I275 HydrophobicContact CG-CD1 4.12Å; M195-I275 HydrophobicContact SD-CD1 4.22Å; M195-I275 HydrophobicContact SD-CG2 4.31Å
196A97Very high94.9Very high4 Ų455.8 Ų55.83%0.03330%0.3CS..Hα-helixtrans-57.3-48.5174.700000112N192 R193 Y198 I199 S200N192-A196 PolarHBondContact O-N 3.47Å; R193-A196 WeakPolarHBondContact O-CB 2.95Å; R193-A196 PolarHBondContact O-N 2.7Å; R193-A196 VanDerWaalsContact O-N 3.14Å; A196-Y198 VanDerWaalsContact C-N 3.27Å; A196-Y198 PolarHBondContact O-N 3.16Å; A196-I199 WeakPolarHBondContact O-CB 2.93Å; A196-I199 PolarHBondContact O-N 3.21Å; A196-S200 WeakPolarHBondContact O-CB 3.31Å; A196-S200 PolarHBondContact O-N 3.36Å
197D95.7Very high95.1Very high91 Ų9155.8 Ų55.849%0.48730%0.3SS..Hα-helixtrans-60.6-39.1175.3-71.2-18.3000111.4R193 M195 S200 Q201R193-D197 PolarHBondContact O-N 3.02Å; M195-D197 PolarHBondContact O-N 3.39Å; D197-S200 PolarHBondContact O-N 3.14Å; D197-Q201 VanDerWaalsContact O-CB 3.29Å; D197-Q201 WeakPolarHBondContact O-CB 3.22Å; D197-Q201 WeakPolarHBondContact O-CG 3.29Å; D197-Q201 PolarHBondContact O-N 3.04Å
198Y94.9Very high95.3Very high14 Ų1452 Ų526%0.05528%0.283CS..Hα-helixtrans-66.1-40.5178.1-172.7-160.8000112.2G151 K153 L162 L194 M195 A196 A202 I275G151-Y198 WeakPolarHBondContact O-CE2 3.47Å; G151-Y198 PolarHBondContact O-OH 3.12Å; K153-Y198 HydrophobicContact CB-CD1 4.25Å; K153-Y198 HydrophobicContact CB-CE1 4.37Å; K153-Y198 HydrophobicContact CD-CD2 4.37Å; K153-Y198 HydrophobicContact CD-CG 4.48Å; K153-Y198 HydrophobicContact CG-CD1 3.62Å; K153-Y198 HydrophobicContact CG-CD2 3.7Å; K153-Y198 HydrophobicContact CG-CE1 3.92Å; K153-Y198 HydrophobicContact CG-CE2 4Å; K153-Y198 HydrophobicContact CG-CG 3.51Å; L162-Y198 HydrophobicContact CB-CD1 4.28Å; L162-Y198 HydrophobicContact CB-CE1 3.52Å; L162-Y198 HydrophobicContact CB-CE2 4.02Å; L162-Y198 WeakPolarHBondContact CB-OH 3.38Å; L162-Y198 HydrophobicContact CD2-CE2 4.33Å; L162-Y198 PolarHBondContact N-OH 2.84Å; L194-Y198 VanDerWaalsContact O-CB 3.3Å; L194-Y198 WeakPolarHBondContact O-CB 3.39Å; L194-Y198 PolarHBondContact O-N 2.94Å; M195-Y198 WeakPolarHBondContact O-CB 3.32Å; M195-Y198 PolarHBondContact O-N 3.21Å; M195-Y198 VanDerWaalsContact O-N 3.14Å; A196-Y198 VanDerWaalsContact C-N 3.27Å; A196-Y198 PolarHBondContact O-N 3.16Å; Y198-A202 VanDerWaalsContact O-CB 3.22Å; Y198-A202 WeakPolarHBondContact O-CB 3.17Å; Y198-A202 PolarHBondContact O-N 3.13Å; Y198-A202 VanDerWaalsContact O-N 3.12Å; Y198-I275 HydrophobicContact CD1-CD1 4.4Å
199I95.8Very high95.5Very high0 Ų049 Ų490%027%0.265CS..Hα-helixtrans-62.9-48.1174.2-63.7159.8000109.6M195 A196 A202 G203 L204 V207 L257 N259 I275M195-I199 WeakPolarHBondContact O-CD1 3.48Å; M195-I199 WeakPolarHBondContact O-CG1 3.25Å; M195-I199 PolarHBondContact O-N 3.01Å; A196-I199 WeakPolarHBondContact O-CB 2.93Å; A196-I199 PolarHBondContact O-N 3.21Å; I199-A202 PolarHBondContact O-N 2.9Å; I199-G203 PolarHBondContact O-N 3.15Å; I199-L204 HydrophobicContact CG2-CB 3.7Å; I199-L204 WeakPolarHBondContact CG2-O 3.17Å; I199-L204 PolarHBondContact O-N 3.45Å; I199-V207 HydrophobicContact CD1-CG1 4.4Å; I199-V207 HydrophobicContact CD1-CG2 3.43Å; I199-V207 VanDerWaalsContact CD1-CG2 3.43Å; I199-V207 HydrophobicContact CG1-CG1 3.98Å; I199-V207 HydrophobicContact CG1-CG2 3.78Å; I199-V207 HydrophobicContact CG2-CG1 4.37Å; I199-L257 HydrophobicContact CD1-CB 4.27Å; I199-L257 HydrophobicContact CD1-CD2 3.8Å; I199-L257 HydrophobicContact CD1-CG 3.78Å; I199-N259 HydrophobicContact CB-CB 4.34Å; I199-N259 HydrophobicContact CG2-CB 3.79Å; I199-I275 HydrophobicContact CD1-CD1 4.26Å; I199-I275 HydrophobicContact CG1-CD1 3.99Å
200S95.8Very high95.6Very high66 Ų6646 Ų4646%0.46225%0.249SC..Hα-helixtrans-60.7-51.1179.6-176.30000112.3A196 D197 A202 G203A196-S200 WeakPolarHBondContact O-CB 3.31Å; A196-S200 PolarHBondContact O-N 3.36Å; D197-S200 PolarHBondContact O-N 3.14Å; S200-A202 PolarHBondContact O-N 3.06Å; S200-A202 VanDerWaalsContact O-N 3.16Å; S200-G203 PolarHBondContact O-N 3.02Å
201Q93.1Very high95.6Very high129 Ų12940 Ų4060%0.60322%0.217SC*.Hα-helixtrans-60.9-26.8177.1-72.2168.526.500112.8D197 G203D197-Q201 VanDerWaalsContact O-CB 3.29Å; D197-Q201 WeakPolarHBondContact O-CB 3.22Å; D197-Q201 WeakPolarHBondContact O-CG 3.29Å; D197-Q201 PolarHBondContact O-N 3.04Å; Q201-G203 VanDerWaalsContact C-N 3.27Å
202A91.6Very high95.5Very high21 Ų2141.3 Ų41.317%0.17422%0.222CC..THydrogen-bonded Turntrans-82.7-1.7176.900000114.1L162 K164 Y198 I199 S200 L204L162-A202 HydrophobicContact CD2-CB 3.25Å; K164-A202 PolarHBondContact NZ-O 3.01Å; Y198-A202 VanDerWaalsContact O-CB 3.22Å; Y198-A202 WeakPolarHBondContact O-CB 3.17Å; Y198-A202 PolarHBondContact O-N 3.13Å; Y198-A202 VanDerWaalsContact O-N 3.12Å; I199-A202 PolarHBondContact O-N 2.9Å; S200-A202 PolarHBondContact O-N 3.06Å; S200-A202 VanDerWaalsContact O-N 3.16Å; A202-L204 VanDerWaalsContact C-N 3.31Å; A202-L204 HydrophobicContact CB-CD1 4.4Å; A202-L204 HydrophobicContact CB-CG 4.14Å
203G94.4Very high95.1Very high69 Ų6941.1 Ų41.171%0.71122%0.221SC*.THydrogen-bonded Turntrans71.324.5-176.500000113.3I199 S200 Q201I199-G203 PolarHBondContact O-N 3.15Å; S200-G203 PolarHBondContact O-N 3.02Å; Q201-G203 VanDerWaalsContact C-N 3.27Å
204L95.3Very high94.4Very high23 Ų2336.9 Ų36.912%0.1221%0.21CC..  trans-102.3157.7-179.8-59.7-174.7000110.7L162 I199 A202 V207 F273L162-L204 HydrophobicContact CD1-CD1 3.8Å; L162-L204 HydrophobicContact CD2-CD1 3.65Å; L162-L204 HydrophobicContact CG-CD1 4.1Å; I199-L204 HydrophobicContact CG2-CB 3.7Å; I199-L204 WeakPolarHBondContact CG2-O 3.17Å; I199-L204 PolarHBondContact O-N 3.45Å; A202-L204 VanDerWaalsContact C-N 3.31Å; A202-L204 HydrophobicContact CB-CD1 4.4Å; A202-L204 HydrophobicContact CB-CG 4.14Å; L204-V207 HydrophobicContact CD1-CG1 3.99Å; L204-F273 HydrophobicContact CD1-CB 4.31Å; L204-F273 HydrophobicContact CD1-CD2 3.73Å; L204-F273 HydrophobicContact CD1-CE2 4.5Å; L204-F273 HydrophobicContact CD1-CG 4.37Å; L204-F273 HydrophobicContact CD2-CD2 3.58Å; L204-F273 HydrophobicContact CD2-CE2 3.55Å; L204-F273 HydrophobicContact CG-CD2 4.27Å
205T95.5Very high93.5Very high87 Ų8738 Ų3853%0.53421%0.213SC..SBendtrans-101.7-35.6177.353.10000112.3L258 N259T205-L258 CarbonylContact O-C 3.58Å; T205-L258 WeakPolarHBondContact O-CA 3.37Å; T205-N259 PolarHBondContact O-N 2.82Å
206R95.9Very high92.2Very high110 Ų11045.7 Ų45.742%0.41525%0.246SC..EExtended strand (participates in β ladder)trans-157.5153.1-175.968.6-166.5-169.5-101.8-3.4113.1E256 L257 L258R206-E256 VanDerWaalsContact CD-OE2 3.23Å; R206-E256 WeakPolarHBondContact CD-OE2 3.4Å; R206-E256 IonicContact NE-OE2 2.69Å; R206-E256 PolarHBondContact NE-OE2 3.29Å; R206-L257 VanDerWaalsContact CA-O 3.27Å; R206-L257 WeakPolarHBondContact CA-O 3.48Å; R206-L258 HydrophobicContact CB-CD2 3.54Å
207V98.1Very high90.6Very high0 Ų053.4 Ų53.40%029%0.287CS..EExtended strand (participates in β ladder)trans-147.7157.2179.6-56.90000111.1L162 I199 L204 E256 L257 F273 I275L162-V207 HydrophobicContact CD1-CG1 3.8Å; I199-V207 HydrophobicContact CD1-CG1 4.4Å; I199-V207 HydrophobicContact CD1-CG2 3.43Å; I199-V207 VanDerWaalsContact CD1-CG2 3.43Å; I199-V207 HydrophobicContact CG1-CG1 3.98Å; I199-V207 HydrophobicContact CG1-CG2 3.78Å; I199-V207 HydrophobicContact CG2-CG1 4.37Å; L204-V207 HydrophobicContact CD1-CG1 3.99Å; V207-E256 CarbonylContact O-C 3.57Å; V207-E256 VanDerWaalsContact O-CA 3.24Å; V207-E256 WeakPolarHBondContact O-CA 3.3Å; V207-L257 HydrophobicContact CG2-CB 4.37Å; V207-L257 PolarHBondContact N-O 2.03Å; V207-L257 PolarHBondContact O-N 3.37Å; V207-F273 CarbonylContact C-O 3.49Å; V207-F273 VanDerWaalsContact CA-O 3.26Å; V207-F273 WeakPolarHBondContact CA-O 3.45Å; V207-F273 WeakPolarHBondContact CB-O 3.49Å; V207-F273 HydrophobicContact CG1-CB 4.15Å; V207-I275 HydrophobicContact CG2-CD1 3.81Å; V207-I275 HydrophobicContact CG2-CG1 3.89Å
208Y98.2Very high89Confident0 Ų052.8 Ų52.80%030%0.302CS..EExtended strand (participates in β ladder)trans-68.6139.4166.9-81.1-53.8000112.1K167 F169 C254 V266 V267 C268 T270 L272 F273 I275K167-Y208 WeakPolarHBondContact O-CE2 3.34Å; F169-Y208 HydrophobicContact CB-CE1 4.3Å; F169-Y208 HydrophobicContact CB-CE2 4.26Å; F169-Y208 AromaticContact CD2-CD1 3.74Å; F169-Y208 HydrophobicContact CD2-CD1 3.74Å; F169-Y208 AromaticContact CD2-CE1 3.96Å; F169-Y208 HydrophobicContact CD2-CE1 3.96Å; F169-Y208 HydrophobicContact CD2-CG 4.09Å; F169-Y208 HydrophobicContact CE2-CD1 4.45Å; Y208-C254 HydrophobicContact CD1-CB 4.48Å; Y208-C254 HydrophobicContact CE1-CB 3.83Å; Y208-V266 HydrophobicContact CD1-CG1 4.22Å; Y208-V266 HydrophobicContact CE1-CG1 3.43Å; Y208-V266 VanDerWaalsContact CE1-CG1 3.43Å; Y208-V267 PolarHBondContact OH-O 3.29Å; Y208-C268 PolarHBondContact OH-O 2.76Å; Y208-T270 VanDerWaalsContact CE2-O 3.27Å; Y208-T270 WeakPolarHBondContact CE2-O 3.41Å; Y208-T270 PolarHBondContact OH-O 2.57Å; Y208-L272 HydrophobicContact CD1-CD1 4Å; Y208-L272 HydrophobicContact CD2-CB 3.6Å; Y208-L272 HydrophobicContact CD2-CD1 4.13Å; Y208-L272 HydrophobicContact CD2-CG 4.2Å; Y208-L272 HydrophobicContact CE1-CD1 3.8Å; Y208-L272 HydrophobicContact CE2-CB 3.66Å; Y208-L272 HydrophobicContact CE2-CD1 3.91Å; Y208-L272 HydrophobicContact CE2-CG 3.84Å; Y208-L272 HydrophobicContact CG-CB 4.22Å; Y208-L272 HydrophobicContact CG-CD1 4.14Å; Y208-F273 PolarHBondContact N-O 2.94Å; Y208-I275 PolarHBondContact O-N 2.71Å
209V97.3Very high87.6Confident0 Ų058.5 Ų58.50%033%0.332CS..EExtended strand (participates in β ladder)trans-117.2163165.9-70.90000110F169 A184 P186 V211 V255 L257F169-V209 WeakPolarHBondContact CE2-O 3.41Å; A184-V209 WeakPolarHBondContact O-CB 3.29Å; P186-V209 HydrophobicContact CG-CB 4.46Å; V209-V211 HydrophobicContact CG2-CB 4.49Å; V209-V211 HydrophobicContact CG2-CG2 4.2Å; V209-V211 PolarHBondContact O-N 3.36Å; V209-V255 HydrophobicContact CG2-CB 4.22Å; V209-V255 HydrophobicContact CG2-CG1 3.97Å; V209-V255 PolarHBondContact N-O 2.87Å; V209-L257 HydrophobicContact CG1-CB 3.52Å; V209-L257 HydrophobicContact CG1-CD2 3.86Å; V209-L257 HydrophobicContact CG1-CG 4.33Å; V209-L257 HydrophobicContact CG2-CB 4.29Å
210G96.4Very high86.5Confident0 Ų060.1 Ų60.10%035%0.349CS..EExtended strand (participates in β ladder)trans-7753.5-178.200000112.9A184 Y224 A225A184-G210 PolarHBondContact O-N 2.75Å; G210-Y224 CarbonylContact O-C 3.48Å; G210-Y224 VanDerWaalsContact O-CA 3.24Å; G210-Y224 WeakPolarHBondContact O-CA 3.37Å; G210-A225 PolarHBondContact O-N 3Å
211V94.3Very high86Confident0 Ų059.8 Ų59.80%035%0.347CS..EExtended strand (participates in β ladder)trans-128.8132.9175.2-172.90000108.7V209 Y222 I223 Y224 V255 W263V209-V211 HydrophobicContact CG2-CB 4.49Å; V209-V211 HydrophobicContact CG2-CG2 4.2Å; V209-V211 PolarHBondContact O-N 3.36Å; V211-Y222 HydrophobicContact CG1-CD1 4.11Å; V211-I223 WeakPolarHBondContact CA-O 3.24Å; V211-Y224 HydrophobicContact CG2-CD1 3.71Å; V211-Y224 HydrophobicContact CG2-CE1 3.68Å; V211-V255 HydrophobicContact CB-CB 3.9Å; V211-V255 HydrophobicContact CB-CG1 4.42Å; V211-V255 HydrophobicContact CB-CG2 3.82Å; V211-V255 HydrophobicContact CG1-CB 4.34Å; V211-V255 HydrophobicContact CG1-CG2 3.72Å; V211-V255 PolarHBondContact O-N 3.01Å; V211-W263 HydrophobicContact CG1-CZ3 4.37Å; V211-W263 HydrophobicContact CG2-CH2 4.35Å; V211-W263 HydrophobicContact CG2-CZ3 4.09Å
212Q91.7Very high85.9Confident55 Ų5555.4 Ų55.426%0.25733%0.325SS..EExtended strand (participates in β ladder)trans-136.5132.5-178.5-166.6171.815.100109.6F169 Y222 I223 V252 S253F169-Q212 HydrophobicContact CE1-CB 4.4Å; F169-Q212 HydrophobicContact CE1-CG 4.36Å; F169-Q212 HydrophobicContact CZ-CB 4.18Å; Q212-Y222 WeakPolarHBondContact O-CA 3.46Å; Q212-I223 HydrophobicContact CB-CG1 4.49Å; Q212-I223 PolarHBondContact N-O 3.05Å; Q212-I223 PolarHBondContact O-N 2.82Å; Q212-V252 HydrophobicContact CG-CG1 3.81Å; Q212-S253 CarbonylContact C-O 3.52Å; Q212-S253 WeakPolarHBondContact CA-O 3.45Å; Q212-S253 WeakPolarHBondContact CG-O 3.12Å
213G87.6Confident85.9Confident0 Ų056.4 Ų56.40%033%0.327CS..EExtended strand (participates in β ladder)trans-87.7128.217300000110.7S221 Y222 V252 S253G213-S221 CarbonylContact C-O 3.55Å; G213-S221 WeakPolarHBondContact CA-O 3.02Å; G213-Y222 VanDerWaalsContact CA-CD1 3.44Å; G213-V252 VanDerWaalsContact O-CA 3.32Å; G213-V252 WeakPolarHBondContact O-CA 3.49Å; G213-S253 PolarHBondContact N-O 3.05Å; G213-S253 PolarHBondContact O-N 3.42Å
214L81.4Confident85.9Confident62 Ų6253.7 Ų53.733%0.32530%0.296SS..EExtended strand (participates in β ladder)trans-111.1115.7170.8-68.3171.2000108.2S221 I223 V252L214-S221 PolarHBondContact N-O 3.36Å; L214-S221 PolarHBondContact O-N 2.8Å; L214-S221 PolarHBondContact O-OG 2.8Å; L214-I223 HydrophobicContact CD1-CD1 3.52Å; L214-I223 HydrophobicContact CD1-CG1 3.99Å; L214-I223 HydrophobicContact CD1-CG2 4.47Å; L214-I223 HydrophobicContact CG-CD1 4.29Å; L214-I223 HydrophobicContact CG-CG1 4.41Å; L214-V252 HydrophobicContact CD2-CG2 4.19Å
215F77.3Confident85.8Confident66 Ų6654.2 Ų54.229%0.28930%0.303SS..EExtended strand (participates in β ladder)trans-102.2115.8178.1-63.4-93.7000108.8G220 N251F215-G220 VanDerWaalsContact CE1-CA 3.49Å; F215-N251 PolarHBondContact N-O 2.89Å; F215-N251 WeakPolarHBondContact O-CB 3.33Å
216K68.4Low85.6Confident162 Ų16253.3 Ų53.370%0.70430%0.295SS*.EExtended strand (participates in β ladder)trans-121.3128.6170.8-71.7-172.8176.8-175.70107.9G218 I219K216-G218 PolarHBondContact O-N 2.88Å; K216-G218 VanDerWaalsContact O-N 3.11Å; K216-I219 PolarHBondContact N-O 2.59Å; K216-I219 VanDerWaalsContact N-O 3.1Å; K216-I219 PolarHBondContact O-N 3.13Å
217D63.9Low85.4Confident166 Ų16652.6 Ų52.689%0.88831%0.307SS*.THydrogen-bonded Turntrans53.935.6173.3-48.1-42000114.2I219D217-I219 PolarHBondContact O-N 3.5Å
218G61.7Low85.1Confident79 Ų7955 Ų5581%0.81432%0.321SS*.THydrogen-bonded Turntrans80.6-7.1-178.100000115.3K216K216-G218 PolarHBondContact O-N 2.88Å; K216-G218 VanDerWaalsContact O-N 3.11Å
219I66.3Low84.7Confident133 Ų13358.5 Ų58.568%0.68234%0.344SS*.EExtended strand (participates in β ladder)trans-95.6111.2174.5-56.2176.7000108.9K216 D217K216-I219 PolarHBondContact N-O 2.59Å; K216-I219 VanDerWaalsContact N-O 3.1Å; K216-I219 PolarHBondContact O-N 3.13Å; D217-I219 PolarHBondContact O-N 3.5Å
220G72.8Confident84.3Confident35 Ų3560.1 Ų60.136%0.36135%0.353SS..EExtended strand (participates in β ladder)trans-84.7120.6174.600000111.7F215F215-G220 VanDerWaalsContact CE1-CA 3.49Å
221S85.8Confident83.4Confident59 Ų5970 Ų7041%0.41339%0.39SS..EExtended strand (participates in β ladder)trans-112.8144.3169.665.40000109.9G213 L214G213-S221 CarbonylContact C-O 3.55Å; G213-S221 WeakPolarHBondContact CA-O 3.02Å; L214-S221 PolarHBondContact N-O 3.36Å; L214-S221 PolarHBondContact O-N 2.8Å; L214-S221 PolarHBondContact O-OG 2.8Å
222Y89.2Confident82.5Confident36 Ų3679.2 Ų79.214%0.14143%0.433CS..EExtended strand (participates in β ladder)trans-106.6138.5174-69.2-85.8000110.5V211 Q212 G213 L230 W236 V255 K265V211-Y222 HydrophobicContact CG1-CD1 4.11Å; Q212-Y222 WeakPolarHBondContact O-CA 3.46Å; G213-Y222 VanDerWaalsContact CA-CD1 3.44Å; Y222-L230 VanDerWaalsContact CB-CD2 3.49Å; Y222-L230 HydrophobicContact CD2-CD2 4.09Å; Y222-L230 HydrophobicContact CG-CD2 3.94Å; Y222-L230 WeakPolarHBondContact O-CB 3.46Å; Y222-L230 PolarHBondContact O-N 2.96Å; Y222-W236 AromaticContact CD1-CH2 3.97Å; Y222-W236 HydrophobicContact CD1-CH2 3.97Å; Y222-W236 HydrophobicContact CD1-CZ2 4.06Å; Y222-W236 AromaticContact CD2-CZ2 3.98Å; Y222-W236 HydrophobicContact CD2-CZ2 3.98Å; Y222-W236 AromaticContact CE1-CH2 3.46Å; Y222-W236 HydrophobicContact CE1-CH2 3.46Å; Y222-W236 VanDerWaalsContact CE1-CH2 3.46Å; Y222-W236 AromaticContact CE1-CZ2 3.81Å; Y222-W236 HydrophobicContact CE1-CZ2 3.81Å; Y222-W236 HydrophobicContact CE2-CH2 4.15Å; Y222-W236 AromaticContact CE2-CZ2 3.71Å; Y222-W236 HydrophobicContact CE2-CZ2 3.71Å; Y222-W236 HydrophobicContact CG-CZ2 4.14Å; Y222-W236 AromaticContact CZ-CH2 3.55Å; Y222-W236 AromaticContact CZ-CZ2 3.61Å; Y222-V255 HydrophobicContact CD1-CG2 4.23Å; Y222-V255 HydrophobicContact CE1-CG2 4.11Å; Y222-K265 WeakPolarHBondContact OH-CD 3.32Å; Y222-K265 WeakPolarHBondContact OH-CE 3.37Å
223I92.1Very high82.2Confident43 Ų4378.5 Ų78.522%0.22143%0.43CS..EExtended strand (participates in β ladder)trans-125.5146.5176.159.4163000110.1V211 Q212 L214V211-I223 WeakPolarHBondContact CA-O 3.24Å; Q212-I223 HydrophobicContact CB-CG1 4.49Å; Q212-I223 PolarHBondContact N-O 3.05Å; Q212-I223 PolarHBondContact O-N 2.82Å; L214-I223 HydrophobicContact CD1-CD1 3.52Å; L214-I223 HydrophobicContact CD1-CG1 3.99Å; L214-I223 HydrophobicContact CD1-CG2 4.47Å; L214-I223 HydrophobicContact CG-CD1 4.29Å; L214-I223 HydrophobicContact CG-CG1 4.41Å
224Y94.6Very high82.1Confident12 Ų1280.3 Ų80.35%0.04744%0.444CS..EExtended strand (participates in β ladder)trans-79.2164170.9-73.4-71.8000111.3M185 P186 K187 G210 V211 D226 S227 T228 L230M185-Y224 HydrophobicContact CB-CD1 3.7Å; M185-Y224 HydrophobicContact CB-CE1 4.21Å; M185-Y224 HydrophobicContact CB-CG 4.41Å; M185-Y224 HydrophobicContact CG-CD1 3.9Å; M185-Y224 HydrophobicContact CG-CG 4.4Å; M185-Y224 HydrophobicContact SD-CD1 4.48Å; M185-Y224 HydrophobicContact SD-CG 4.4Å; P186-Y224 PolarHBondContact O-OH 2.65Å; K187-Y224 HydrophobicContact CG-CE1 4.2Å; K187-Y224 HydrophobicContact CG-CE2 4.3Å; G210-Y224 CarbonylContact O-C 3.48Å; G210-Y224 VanDerWaalsContact O-CA 3.24Å; G210-Y224 WeakPolarHBondContact O-CA 3.37Å; V211-Y224 HydrophobicContact CG2-CD1 3.71Å; V211-Y224 HydrophobicContact CG2-CE1 3.68Å; Y224-D226 VanDerWaalsContact CB-OD1 3.27Å; Y224-D226 WeakPolarHBondContact CB-OD1 3.32Å; Y224-D226 PolarHBondContact O-N 2.91Å; Y224-D226 VanDerWaalsContact O-N 3.13Å; Y224-S227 WeakPolarHBondContact O-CA 3.46Å; Y224-S227 PolarHBondContact O-N 2.89Å; Y224-T228 WeakPolarHBondContact CB-O 3.46Å; Y224-T228 WeakPolarHBondContact CD2-O 3.42Å; Y224-T228 WeakPolarHBondContact CD2-OG1 3.34Å; Y224-T228 PolarHBondContact N-O 2.95Å; Y224-L230 HydrophobicContact CE1-CD1 4.23Å; Y224-L230 HydrophobicContact CE2-CB 4.49Å; Y224-L230 HydrophobicContact CE2-CD1 3.65Å; Y224-L230 WeakPolarHBondContact OH-CD1 3.48Å
225A93.4Very high82.6Confident34 Ų3479.6 Ų79.628%0.28144%0.442SS..THydrogen-bonded Turntrans-62-19.3179.700000114.1A182 L183 M185 G210 S227A182-A225 HydrophobicContact CB-CB 4.47Å; L183-A225 HydrophobicContact CB-CB 4.39Å; M185-A225 HydrophobicContact CG-CB 4.2Å; M185-A225 HydrophobicContact SD-CB 3.99Å; G210-A225 PolarHBondContact O-N 3Å; A225-S227 VanDerWaalsContact C-N 3.32Å
226D92.2Very high83.2Confident68 Ų6880.2 Ų80.236%0.36444%0.443SS..THydrogen-bonded Turntrans-91.412.1172.268.4-4000113.6M185 K187 Y224 T228M185-D226 HydrophobicContact CE-CB 3.84Å; M185-D226 HydrophobicContact SD-CB 3.71Å; M185-D226 PolarHBondContact SD-N 2.97Å; M185-D226 VanDerWaalsContact SD-N 3.36Å; K187-D226 IonicContact NZ-OD1 2.86Å; K187-D226 IonicContact NZ-OD2 2.71Å; K187-D226 PolarHBondContact NZ-OD2 3.35Å; Y224-D226 VanDerWaalsContact CB-OD1 3.27Å; Y224-D226 WeakPolarHBondContact CB-OD1 3.32Å; Y224-D226 PolarHBondContact O-N 2.91Å; Y224-D226 VanDerWaalsContact O-N 3.13Å; D226-T228 PolarHBondContact O-N 3.18Å; D226-T228 WeakPolarHBondContact OD1-CB 3.5Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.41Å; D226-T228 PolarHBondContact OD1-N 3.29Å; D226-T228 PolarHBondContact OD1-OG1 2.92Å; D226-T228 PolarHBondContact OD2-OG1 3.49Å
227S90.6Very high84Confident95 Ų9573.5 Ų73.566%0.66442%0.416SS*.SBendtrans68.28.6-177.8-40.60000114.9Y224 A225Y224-S227 WeakPolarHBondContact O-CA 3.46Å; Y224-S227 PolarHBondContact O-N 2.89Å; A225-S227 VanDerWaalsContact C-N 3.32Å
228T91.8Very high84.2Confident49 Ų4974.7 Ų74.730%0.30142%0.417SS..  trans-74137.6172.159.10000110.6K187 Y224 D226K187-T228 PolarHBondContact NZ-OG1 3.39Å; Y224-T228 WeakPolarHBondContact CB-O 3.46Å; Y224-T228 WeakPolarHBondContact CD2-O 3.42Å; Y224-T228 WeakPolarHBondContact CD2-OG1 3.34Å; Y224-T228 PolarHBondContact N-O 2.95Å; D226-T228 PolarHBondContact O-N 3.18Å; D226-T228 WeakPolarHBondContact OD1-CB 3.5Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.41Å; D226-T228 PolarHBondContact OD1-N 3.29Å; D226-T228 PolarHBondContact OD1-OG1 2.92Å; D226-T228 PolarHBondContact OD2-OG1 3.49Å
229P90.4Very high84Confident74 Ų7478.4 Ų78.448%0.48141%0.412SS..BIsolated β-bridgetrans-69.3146.3178.427.8-33.7000110.8R231P229-R231 PolarHBondContact O-N 2.87Å
230L87.8Confident83.4Confident35 Ų3575.1 Ų75.118%0.18339%0.394CS..  trans-66.4115.7169.8-170.566000108.3Y222 Y224 F233 A234 W236 W263Y222-L230 VanDerWaalsContact CB-CD2 3.49Å; Y222-L230 HydrophobicContact CD2-CD2 4.09Å; Y222-L230 HydrophobicContact CG-CD2 3.94Å; Y222-L230 WeakPolarHBondContact O-CB 3.46Å; Y222-L230 PolarHBondContact O-N 2.96Å; Y224-L230 HydrophobicContact CE1-CD1 4.23Å; Y224-L230 HydrophobicContact CE2-CB 4.49Å; Y224-L230 HydrophobicContact CE2-CD1 3.65Å; Y224-L230 WeakPolarHBondContact OH-CD1 3.48Å; L230-F233 WeakPolarHBondContact CD1-O 3.24Å; L230-A234 HydrophobicContact CD2-CB 4.06Å; L230-W236 HydrophobicContact CD2-CZ2 4.25Å; L230-W263 HydrophobicContact CD1-CH2 4.18Å; L230-W263 HydrophobicContact CD1-CZ3 4.03Å; L230-W263 HydrophobicContact CD2-CZ3 4.41Å
231R78.4Confident82.1Confident208 Ų20882.5 Ų82.579%0.78542%0.42SS*.  trans-97.9-109.2177.9-62.9-173.9-179-171.3-0.6110.2P229P229-R231 PolarHBondContact O-N 2.87Å
232E75.2Confident80.2Confident192 Ų19286.3 Ų86.390%0.89744%0.435SS*.SBendtrans-92.6-21.3-163.2-67.3165.3-160.300114
233F85.5Confident78Confident41 Ų4193 Ų9318%0.1846%0.461CS..  trans-104.2112.4-175.2-177.7-97.8000111.7P186 N189 N192 L230 V235 W263P186-F233 HydrophobicContact CB-CE1 4.39Å; P186-F233 WeakPolarHBondContact O-CD1 3.48Å; P186-F233 WeakPolarHBondContact O-CE1 3.45Å; N189-F233 VanDerWaalsContact CA-CZ 3.45Å; N189-F233 HydrophobicContact CB-CD2 4.39Å; N189-F233 HydrophobicContact CB-CE2 3.64Å; N189-F233 HydrophobicContact CB-CZ 4.19Å; N192-F233 HydrophobicContact CB-CE1 3.7Å; N192-F233 HydrophobicContact CB-CZ 3.5Å; L230-F233 WeakPolarHBondContact CD1-O 3.24Å; F233-V235 HydrophobicContact CE1-CG2 4.31Å; F233-V235 HydrophobicContact CE2-CG2 3.76Å; F233-V235 HydrophobicContact CZ-CG2 3.53Å; F233-W263 HydrophobicContact CD1-CH2 4.47Å; F233-W263 HydrophobicContact CD1-CZ2 4.23Å; F233-W263 AromaticContact CE1-CZ2 3.87Å; F233-W263 HydrophobicContact CE1-CZ2 3.87Å
234A86.4Confident75.5Confident37 Ų3795.9 Ų95.931%0.30649%0.485SS..  trans-153.2143.9167.300000109.3L230 W263L230-A234 HydrophobicContact CD2-CB 4.06Å; A234-W263 HydrophobicContact CB-CE3 4.41Å; A234-W263 HydrophobicContact CB-CH2 4.47Å; A234-W263 HydrophobicContact CB-CZ3 4.09Å
235V91.1Very high72.9Confident48 Ų48101.5 Ų101.529%0.29152%0.521SS..  trans-124.764.7-177.2-168.20000109.2F233 T262 W263F233-V235 HydrophobicContact CE1-CG2 4.31Å; F233-V235 HydrophobicContact CE2-CG2 3.76Å; F233-V235 HydrophobicContact CZ-CG2 3.53Å; V235-T262 HydrophobicContact CG1-CG2 4.18Å; V235-T262 CarbonylContact O-C 3.39Å; V235-T262 WeakPolarHBondContact O-CA 3.37Å; V235-W263 PolarHBondContact O-N 2.97Å
236W89.1Confident70.5Confident79 Ų79104.9 Ų104.930%0.29954%0.542SS..BIsolated β-bridgetrans-66.9142.8-178.6-61.4106.9000112Y222 L230 V255 W263 K265Y222-W236 AromaticContact CD1-CH2 3.97Å; Y222-W236 HydrophobicContact CD1-CH2 3.97Å; Y222-W236 HydrophobicContact CD1-CZ2 4.06Å; Y222-W236 AromaticContact CD2-CZ2 3.98Å; Y222-W236 HydrophobicContact CD2-CZ2 3.98Å; Y222-W236 AromaticContact CE1-CH2 3.46Å; Y222-W236 HydrophobicContact CE1-CH2 3.46Å; Y222-W236 VanDerWaalsContact CE1-CH2 3.46Å; Y222-W236 AromaticContact CE1-CZ2 3.81Å; Y222-W236 HydrophobicContact CE1-CZ2 3.81Å; Y222-W236 HydrophobicContact CE2-CH2 4.15Å; Y222-W236 AromaticContact CE2-CZ2 3.71Å; Y222-W236 HydrophobicContact CE2-CZ2 3.71Å; Y222-W236 HydrophobicContact CG-CZ2 4.14Å; Y222-W236 AromaticContact CZ-CH2 3.55Å; Y222-W236 AromaticContact CZ-CZ2 3.61Å; L230-W236 HydrophobicContact CD2-CZ2 4.25Å; W236-V255 HydrophobicContact CH2-CG1 4.17Å; W236-V255 HydrophobicContact CH2-CG2 3.67Å; W236-V255 HydrophobicContact CZ3-CG1 4.05Å; W236-V255 HydrophobicContact CZ3-CG2 4.12Å; W236-W263 WeakPolarHBondContact CA-O 3.42Å; W236-W263 HydrophobicContact CD2-CB 4.37Å; W236-W263 HydrophobicContact CE3-CB 3.8Å; W236-W263 HydrophobicContact CH2-CE3 4.28Å; W236-W263 HydrophobicContact CZ2-CE3 4.19Å; W236-W263 HydrophobicContact CZ3-CB 4.04Å; W236-K265 HydrophobicContact CZ3-CG 4.21Å
237S86.1Confident68.2Low20 Ų20106.4 Ų106.414%0.1456%0.558CS.*  trans-71.2151.9170.571.90000111.3E239 W263 N264S237-E239 VanDerWaalsContact C-N 3.26Å; S237-E239 PolarHBondContact O-N 2.89Å; S237-W263 PolarHBondContact N-O 2.75Å; S237-N264 WeakPolarHBondContact CB-OD1 3.31Å; S237-N264 PolarHBondContact OG-OD1 2.86Å
238Q67.7Low66.3Low192 Ų192108 Ų10890%0.89757%0.566SS**G310 helixtrans-76.3-9.9-177.7-71.9176.9-18.500113.6E240Q238-E240 PolarHBondContact O-N 2.98Å; Q238-E240 VanDerWaalsContact O-N 3.12Å
239E56.9Low64.2Low156 Ų156109.6 Ų109.673%0.72958%0.584SS**G310 helixtrans-71.7-2.3-175.6-80.3-179152.900114.5S237S237-E239 VanDerWaalsContact C-N 3.26Å; S237-E239 PolarHBondContact O-N 2.89Å
240E54.2Low62.5Low64 Ų64110.9 Ų110.930%0.29959%0.591SS.*G310 helixtrans-93.7-4.5-172.9-110.5-161.9149.100116.9Q238 L242 K265Q238-E240 PolarHBondContact O-N 2.98Å; Q238-E240 VanDerWaalsContact O-N 3.12Å; E240-L242 VanDerWaalsContact C-N 3.27Å; E240-L242 PolarHBondContact O-N 3.14Å; E240-K265 WeakPolarHBondContact OE1-CB 3.44Å; E240-K265 WeakPolarHBondContact OE1-CD 3.46Å; E240-K265 WeakPolarHBondContact OE1-CE 3.42Å; E240-K265 WeakPolarHBondContact OE1-CG 3.27Å; E240-K265 IonicContact OE1-NZ 2.59Å; E240-K265 PolarHBondContact OE1-NZ 2.9Å; E240-K265 WeakPolarHBondContact OE2-CE 3.43Å; E240-K265 IonicContact OE2-NZ 3.29Å; E240-K265 PolarHBondContact OE2-NZ 3.28Å
241Q46.3Very low61.6Low191 Ų191115 Ų11589%0.89361%0.613SS**G310 helixtrans-77.7-6.8179.6-70.9-159.1-1300114.5
242L44.9Very low61.7Low139 Ų139107.4 Ų107.473%0.72859%0.59SS**SBendtrans-116.9-12.3-168.7-72.9165000115.9E240E240-L242 VanDerWaalsContact C-N 3.27Å; E240-L242 PolarHBondContact O-N 3.14Å
243Y43.4Very low62.3Low176 Ų17699.1 Ų99.169%0.6955%0.553SS**  trans-138.155.4-173.4-38.9-79000112.1T245Y243-T245 PolarHBondContact O-N 2.91Å
244S38.9Very low62.7Low104 Ų10497.2 Ų97.273%0.72754%0.544SS*.  trans-7564.6159.4-65.20000109.3S246S244-S246 PolarHBondContact O-N 3.29Å
245T40.6Very low63.1Low130 Ų13095.4 Ų95.480%0.79853%0.53SS*.  trans-75.493.3158.817.90000106.3Y243 S247Y243-T245 PolarHBondContact O-N 2.91Å; T245-S247 PolarHBondContact O-N 3.24Å
246S43.7Very low63.3Low104 Ų10494 Ų9473%0.72752%0.52SS*.  trans-42.8103.1164.141.10000110.1S244 P248S244-S246 PolarHBondContact O-N 3.29Å; S246-P248 WeakPolarHBondContact O-CD 3.41Å
247S44.3Very low63.7Low100 Ų10090.2 Ų90.270%0.69951%0.506SS*.  trans-77.4117.6156.6-165.50000106.9T245 A249T245-S247 PolarHBondContact O-N 3.24Å; S247-A249 PolarHBondContact O-N 3.03Å
248P49.3Very low64.2Low130 Ų13090.8 Ų90.884%0.84451%0.507SS*.THydrogen-bonded Turntrans-7612.2-170.3-12.528.2000115.2S246S246-P248 WeakPolarHBondContact O-CD 3.41Å
249A47.8Very low65.5Low82 Ų8284.5 Ų84.568%0.67848%0.48SS*.THydrogen-bonded Turntrans-98.8-21.4-162.500000115.6S247S247-A249 PolarHBondContact O-N 3.03Å
250T54.9Low67.4Low100 Ų10081.7 Ų81.761%0.61347%0.473SS*.  trans-149.1124.2-177.854.20000112.6V252T250-V252 PolarHBondContact O-N 3.01Å
251N69.6Low69.3Low123 Ų12378.9 Ų78.966%0.65846%0.461SS*.SBendtrans-64.416.8172.3-70.2-19.2000114.4F215F215-N251 PolarHBondContact N-O 2.89Å; F215-N251 WeakPolarHBondContact O-CB 3.33Å
252V80Confident71.7Confident48 Ų4871.5 Ų71.529%0.29143%0.429SS..EExtended strand (participates in β ladder)trans-138.4119-165.1-176.60000109.8Q212 G213 L214 T250Q212-V252 HydrophobicContact CG-CG1 3.81Å; G213-V252 VanDerWaalsContact O-CA 3.32Å; G213-V252 WeakPolarHBondContact O-CA 3.49Å; L214-V252 HydrophobicContact CD2-CG2 4.19Å; T250-V252 PolarHBondContact O-N 3.01Å
253S88.2Confident74Confident18 Ų1864.9 Ų64.913%0.12640%0.395CS..EExtended strand (participates in β ladder)trans-111.5148.9173.5-174.10000110.2Q212 G213 C268Q212-S253 CarbonylContact C-O 3.52Å; Q212-S253 WeakPolarHBondContact CA-O 3.45Å; Q212-S253 WeakPolarHBondContact CG-O 3.12Å; G213-S253 PolarHBondContact N-O 3.05Å; G213-S253 PolarHBondContact O-N 3.42Å; S253-C268 VanDerWaalsContact C-SG 3.58Å
254C93.1Very high76.3Confident0 Ų057.8 Ų57.80%037%0.369CS..EExtended strand (participates in β ladder)trans-107.7168.2172.4-70.70000110F169 Y208 K265 V266 C268F169-C254 HydrophobicContact CB-CB 4.38Å; F169-C254 VanDerWaalsContact CB-SG 3.5Å; F169-C254 WeakPolarHBondContact CD1-SG 3.23Å; F169-C254 HydrophobicContact CD2-CB 3.81Å; F169-C254 WeakPolarHBondContact CD2-SG 3.33Å; F169-C254 HydrophobicContact CE2-CB 4.22Å; F169-C254 HydrophobicContact CG-CB 4.11Å; F169-C254 WeakPolarHBondContact CG-SG 3.42Å; Y208-C254 HydrophobicContact CD1-CB 4.48Å; Y208-C254 HydrophobicContact CE1-CB 3.83Å; C254-K265 WeakPolarHBondContact O-CA 3.48Å; C254-V266 CarbonylContact C-O 3.51Å; C254-V266 HydrophobicContact CB-CG1 4.23Å; C254-V266 PolarHBondContact N-O 2.88Å; C254-V266 PolarHBondContact O-N 2.93Å; C254-C268 HydrophobicContact CB-CB 4.03Å; C254-C268 WeakPolarHBondContact CB-SG 3.44Å; C254-C268 PolarHBondContact N-SG 3.22Å; C254-C268 VanDerWaalsContact SG-CA 3.54Å; C254-C268 WeakPolarHBondContact SG-CB 3.11Å; C254-C268 CovalentContact SG-SG 2.03Å; C254-C268 PolarHBondContact SG-SG 3.41Å
255V94.5Very high78.8Confident0 Ų056.1 Ų56.10%035%0.348CS..EExtended strand (participates in β ladder)trans-123.4132.7-176.6-177.60000110.5V209 V211 Y222 W236 W263 N264V209-V255 HydrophobicContact CG2-CB 4.22Å; V209-V255 HydrophobicContact CG2-CG1 3.97Å; V209-V255 PolarHBondContact N-O 2.87Å; V211-V255 HydrophobicContact CB-CB 3.9Å; V211-V255 HydrophobicContact CB-CG1 4.42Å; V211-V255 HydrophobicContact CB-CG2 3.82Å; V211-V255 HydrophobicContact CG1-CB 4.34Å; V211-V255 HydrophobicContact CG1-CG2 3.72Å; V211-V255 PolarHBondContact O-N 3.01Å; Y222-V255 HydrophobicContact CD1-CG2 4.23Å; Y222-V255 HydrophobicContact CE1-CG2 4.11Å; W236-V255 HydrophobicContact CH2-CG1 4.17Å; W236-V255 HydrophobicContact CH2-CG2 3.67Å; W236-V255 HydrophobicContact CZ3-CG1 4.05Å; W236-V255 HydrophobicContact CZ3-CG2 4.12Å; V255-W263 HydrophobicContact CG1-CB 3.92Å; V255-W263 HydrophobicContact CG1-CD2 4.27Å; V255-W263 HydrophobicContact CG1-CE3 4.04Å; V255-W263 HydrophobicContact CG1-CG 4.25Å; V255-N264 WeakPolarHBondContact CA-O 3.49Å
256E95.7Very high81.1Confident17 Ų1750.9 Ų50.98%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-107.3141.7169.461.3179.9-156.300110.6R206 V207 W263 N264 V266 L272R206-E256 VanDerWaalsContact CD-OE2 3.23Å; R206-E256 WeakPolarHBondContact CD-OE2 3.4Å; R206-E256 IonicContact NE-OE2 2.69Å; R206-E256 PolarHBondContact NE-OE2 3.29Å; V207-E256 CarbonylContact O-C 3.57Å; V207-E256 VanDerWaalsContact O-CA 3.24Å; V207-E256 WeakPolarHBondContact O-CA 3.3Å; E256-W263 WeakPolarHBondContact O-CA 3.27Å; E256-N264 HydrophobicContact CG-CB 3.75Å; E256-N264 PolarHBondContact N-O 2.9Å; E256-N264 PolarHBondContact O-N 3.32Å; E256-V266 HydrophobicContact CB-CG1 4.02Å; E256-V266 HydrophobicContact CG-CB 4.16Å; E256-V266 HydrophobicContact CG-CG1 4.12Å; E256-L272 HydrophobicContact CB-CD1 4Å; E256-L272 WeakPolarHBondContact OE2-CD1 3.33Å
257L97.1Very high83.3Confident0 Ų050.2 Ų50.20%031%0.307CS..EExtended strand (participates in β ladder)trans-100.8125.5173176.264.8000108.6N192 M195 I199 R206 V207 V209N192-L257 WeakPolarHBondContact OD1-CD1 3.33Å; M195-L257 HydrophobicContact CB-CD2 3.55Å; M195-L257 HydrophobicContact CE-CD2 4.11Å; I199-L257 HydrophobicContact CD1-CB 4.27Å; I199-L257 HydrophobicContact CD1-CD2 3.8Å; I199-L257 HydrophobicContact CD1-CG 3.78Å; R206-L257 VanDerWaalsContact CA-O 3.27Å; R206-L257 WeakPolarHBondContact CA-O 3.48Å; V207-L257 HydrophobicContact CG2-CB 4.37Å; V207-L257 PolarHBondContact N-O 2.03Å; V207-L257 PolarHBondContact O-N 3.37Å; V209-L257 HydrophobicContact CG1-CB 3.52Å; V209-L257 HydrophobicContact CG1-CD2 3.86Å; V209-L257 HydrophobicContact CG1-CG 4.33Å; V209-L257 HydrophobicContact CG2-CB 4.29Å
258L97Very high85.6Confident32 Ų3246.4 Ų46.417%0.16828%0.281CS..EExtended strand (participates in β ladder)trans-82.9160.5175.7-56.5-174.1000111.3T205 R206 T260 G261 T262T205-L258 CarbonylContact O-C 3.58Å; T205-L258 WeakPolarHBondContact O-CA 3.37Å; R206-L258 HydrophobicContact CB-CD2 3.54Å; L258-T260 WeakPolarHBondContact CB-OG1 3.41Å; L258-T260 PolarHBondContact O-N 3.33Å; L258-G261 PolarHBondContact O-N 2.93Å; L258-T262 WeakPolarHBondContact CB-O 3.46Å; L258-T262 WeakPolarHBondContact CD1-OG1 3.33Å; L258-T262 PolarHBondContact N-O 2.83Å
259N96Very high87.7Confident61 Ų6145.6 Ų45.633%0.32627%0.266SS..THydrogen-bonded Turntrans-62.2-16.8172.266.5-10.7000113.8I199 T205 G261I199-N259 HydrophobicContact CB-CB 4.34Å; I199-N259 HydrophobicContact CG2-CB 3.79Å; T205-N259 PolarHBondContact O-N 2.82Å; N259-G261 VanDerWaalsContact C-N 3.3Å
260T95.4Very high89.8Confident97 Ų9743.9 Ų43.960%0.59525%0.246SC*.THydrogen-bonded Turntrans-77.8-13.8171.656.20000113.1L258 T262L258-T260 WeakPolarHBondContact CB-OG1 3.41Å; L258-T260 PolarHBondContact O-N 3.33Å; T260-T262 PolarHBondContact OG1-N 3.3Å; T260-T262 PolarHBondContact OG1-OG1 3.24Å
261G95.4Very high91.8Very high4 Ų443.1 Ų43.14%0.04124%0.243CC..SBendtrans86.81.7-173.400000114.7N192 L258 N259N192-G261 PolarHBondContact ND2-O 2.82Å; L258-G261 PolarHBondContact O-N 2.93Å; N259-G261 VanDerWaalsContact C-N 3.3Å
262T95.5Very high93.1Very high37 Ų3737.8 Ų37.823%0.22722%0.215CC..  trans-86.9156.7173.258.90000111.7V235 L258 T260V235-T262 HydrophobicContact CG1-CG2 4.18Å; V235-T262 CarbonylContact O-C 3.39Å; V235-T262 WeakPolarHBondContact O-CA 3.37Å; L258-T262 WeakPolarHBondContact CB-O 3.46Å; L258-T262 WeakPolarHBondContact CD1-OG1 3.33Å; L258-T262 PolarHBondContact N-O 2.83Å; T260-T262 PolarHBondContact OG1-N 3.3Å; T260-T262 PolarHBondContact OG1-OG1 3.24Å
263W94.4Very high93.9Very high0 Ų038.5 Ų38.50%021%0.214CC..EExtended strand (participates in β ladder)trans-111.6139.5-175.1-59.29.3000110.1P186 N192 V211 L230 F233 A234 V235 W236 S237 V255 E256P186-W263 HydrophobicContact CB-CH2 4.43Å; P186-W263 HydrophobicContact CB-CZ2 3.66Å; P186-W263 HydrophobicContact CG-CH2 3.76Å; P186-W263 HydrophobicContact CG-CZ2 3.23Å; N192-W263 PolarHBondContact OD1-NE1 2.81Å; V211-W263 HydrophobicContact CG1-CZ3 4.37Å; V211-W263 HydrophobicContact CG2-CH2 4.35Å; V211-W263 HydrophobicContact CG2-CZ3 4.09Å; L230-W263 HydrophobicContact CD1-CH2 4.18Å; L230-W263 HydrophobicContact CD1-CZ3 4.03Å; L230-W263 HydrophobicContact CD2-CZ3 4.41Å; F233-W263 HydrophobicContact CD1-CH2 4.47Å; F233-W263 HydrophobicContact CD1-CZ2 4.23Å; F233-W263 AromaticContact CE1-CZ2 3.87Å; F233-W263 HydrophobicContact CE1-CZ2 3.87Å; A234-W263 HydrophobicContact CB-CE3 4.41Å; A234-W263 HydrophobicContact CB-CH2 4.47Å; A234-W263 HydrophobicContact CB-CZ3 4.09Å; V235-W263 PolarHBondContact O-N 2.97Å; W236-W263 WeakPolarHBondContact CA-O 3.42Å; W236-W263 HydrophobicContact CD2-CB 4.37Å; W236-W263 HydrophobicContact CE3-CB 3.8Å; W236-W263 HydrophobicContact CH2-CE3 4.28Å; W236-W263 HydrophobicContact CZ2-CE3 4.19Å; W236-W263 HydrophobicContact CZ3-CB 4.04Å; S237-W263 PolarHBondContact N-O 2.75Å; V255-W263 HydrophobicContact CG1-CB 3.92Å; V255-W263 HydrophobicContact CG1-CD2 4.27Å; V255-W263 HydrophobicContact CG1-CE3 4.04Å; V255-W263 HydrophobicContact CG1-CG 4.25Å; E256-W263 WeakPolarHBondContact O-CA 3.27Å
264N91.6Very high94.4Very high27 Ų2737.6 Ų37.614%0.14421%0.208CC..EExtended strand (participates in β ladder)trans-123.6150.5173.3-68-0.7000110.2S237 V255 E256S237-N264 WeakPolarHBondContact CB-OD1 3.31Å; S237-N264 PolarHBondContact OG-OD1 2.86Å; V255-N264 WeakPolarHBondContact CA-O 3.49Å; E256-N264 HydrophobicContact CG-CB 3.75Å; E256-N264 PolarHBondContact N-O 2.9Å; E256-N264 PolarHBondContact O-N 3.32Å
265K89.8Confident94.6Very high69 Ų6937.6 Ų37.630%0.321%0.208SC..EExtended strand (participates in β ladder)trans-73.1142.7164.3-64.2-170.6-154.8108.60109.8Y222 W236 E240 C254Y222-K265 WeakPolarHBondContact OH-CD 3.32Å; Y222-K265 WeakPolarHBondContact OH-CE 3.37Å; W236-K265 HydrophobicContact CZ3-CG 4.21Å; E240-K265 WeakPolarHBondContact OE1-CB 3.44Å; E240-K265 WeakPolarHBondContact OE1-CD 3.46Å; E240-K265 WeakPolarHBondContact OE1-CE 3.42Å; E240-K265 WeakPolarHBondContact OE1-CG 3.27Å; E240-K265 IonicContact OE1-NZ 2.59Å; E240-K265 PolarHBondContact OE1-NZ 2.9Å; E240-K265 WeakPolarHBondContact OE2-CE 3.43Å; E240-K265 IonicContact OE2-NZ 3.29Å; E240-K265 PolarHBondContact OE2-NZ 3.28Å; C254-K265 WeakPolarHBondContact O-CA 3.48Å
266V90.2Very high94.7Very high19 Ų1937.6 Ų37.612%0.11521%0.208CC..EExtended strand (participates in β ladder)trans-144.1146.3175.564.30000110Y208 C254 E256 C268 T270 L272Y208-V266 HydrophobicContact CD1-CG1 4.22Å; Y208-V266 HydrophobicContact CE1-CG1 3.43Å; Y208-V266 VanDerWaalsContact CE1-CG1 3.43Å; C254-V266 CarbonylContact C-O 3.51Å; C254-V266 HydrophobicContact CB-CG1 4.23Å; C254-V266 PolarHBondContact N-O 2.88Å; C254-V266 PolarHBondContact O-N 2.93Å; E256-V266 HydrophobicContact CB-CG1 4.02Å; E256-V266 HydrophobicContact CG-CB 4.16Å; E256-V266 HydrophobicContact CG-CG1 4.12Å; V266-C268 PolarHBondContact O-N 2.87Å; V266-T270 HydrophobicContact CG2-CG2 4.19Å; V266-L272 HydrophobicContact CG1-CD1 4.28Å; V266-L272 HydrophobicContact CG2-CD1 4.32Å
267V90.6Very high94.7Very high91 Ų9137.1 Ų37.155%0.55221%0.206SC*.  trans-60.8129.7172.9-176.50000109.2Y208 E269 T270Y208-V267 PolarHBondContact OH-O 3.29Å; V267-E269 HydrophobicContact CG1-CB 4.27Å; V267-E269 PolarHBondContact O-N 2.76Å; V267-E269 VanDerWaalsContact O-N 3.15Å; V267-T270 VanDerWaalsContact O-CB 3.29Å; V267-T270 WeakPolarHBondContact O-CB 3.45Å; V267-T270 PolarHBondContact O-N 2.91Å; V267-T270 PolarHBondContact O-OG1 2.94Å; V267-T270 VanDerWaalsContact O-OG1 3.13Å
268C92.1Very high94.6Very high20 Ų2038.7 Ų38.714%0.13521%0.212CC..THydrogen-bonded Turntrans-64.2-20-174.8-63.90000114.6F169 Y208 S253 C254 V266 T270F169-C268 HydrophobicContact CB-CB 4.09Å; F169-C268 WeakPolarHBondContact CB-O 3.13Å; F169-C268 PolarHBondContact N-O 2.84Å; Y208-C268 PolarHBondContact OH-O 2.76Å; S253-C268 VanDerWaalsContact C-SG 3.58Å; C254-C268 HydrophobicContact CB-CB 4.03Å; C254-C268 WeakPolarHBondContact CB-SG 3.44Å; C254-C268 PolarHBondContact N-SG 3.22Å; C254-C268 VanDerWaalsContact SG-CA 3.54Å; C254-C268 WeakPolarHBondContact SG-CB 3.11Å; C254-C268 CovalentContact SG-SG 2.03Å; C254-C268 PolarHBondContact SG-SG 3.41Å; V266-C268 PolarHBondContact O-N 2.87Å; C268-T270 VanDerWaalsContact C-N 3.3Å
269E92.4Very high94.3Very high113 Ų11341 Ų4153%0.52823%0.23SC..THydrogen-bonded Turntrans-81.1-9.4177.2-66.2-60.2124.500113.1K168 V267K168-E269 VanDerWaalsContact CD-OE2 3.3Å; K168-E269 WeakPolarHBondContact CD-OE2 3.46Å; K168-E269 VanDerWaalsContact CE-OE2 3.29Å; K168-E269 WeakPolarHBondContact CE-OE2 3.06Å; K168-E269 IonicContact NZ-OE2 3.67Å; K168-E269 PolarHBondContact NZ-OE2 3.27Å; V267-E269 HydrophobicContact CG1-CB 4.27Å; V267-E269 PolarHBondContact O-N 2.76Å; V267-E269 VanDerWaalsContact O-N 3.15Å
270T92.6Very high93.9Very high45 Ų4540.5 Ų40.528%0.27622%0.224SC..SBendtrans-68.6127.6177.3-58.30000110.1Y208 V266 V267 C268 L272Y208-T270 VanDerWaalsContact CE2-O 3.27Å; Y208-T270 WeakPolarHBondContact CE2-O 3.41Å; Y208-T270 PolarHBondContact OH-O 2.57Å; V266-T270 HydrophobicContact CG2-CG2 4.19Å; V267-T270 VanDerWaalsContact O-CB 3.29Å; V267-T270 WeakPolarHBondContact O-CB 3.45Å; V267-T270 PolarHBondContact O-N 2.91Å; V267-T270 PolarHBondContact O-OG1 2.94Å; V267-T270 VanDerWaalsContact O-OG1 3.13Å; C268-T270 VanDerWaalsContact C-N 3.3Å; T270-L272 HydrophobicContact CG2-CD2 3.95Å; T270-L272 HydrophobicContact CG2-CG 4.11Å; T270-L272 PolarHBondContact O-N 2.83Å
271P96.4Very high93Very high85 Ų8540.5 Ų40.555%0.55223%0.229SC*.  trans-77.9114.7176.829.8-32.4000110.5P166P166-P271 HydrophobicContact CB-CB 4.39Å
272L97.1Very high91.4Very high11 Ų1151.7 Ų51.76%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-126.8160.7175.9-57.1176.7000111.6P166 K167 Y208 E256 V266 T270P166-L272 WeakPolarHBondContact CA-O 3.37Å; K167-L272 PolarHBondContact N-O 3.28Å; K167-L272 PolarHBondContact O-N 2.73Å; Y208-L272 HydrophobicContact CD1-CD1 4Å; Y208-L272 HydrophobicContact CD2-CB 3.6Å; Y208-L272 HydrophobicContact CD2-CD1 4.13Å; Y208-L272 HydrophobicContact CD2-CG 4.2Å; Y208-L272 HydrophobicContact CE1-CD1 3.8Å; Y208-L272 HydrophobicContact CE2-CB 3.66Å; Y208-L272 HydrophobicContact CE2-CD1 3.91Å; Y208-L272 HydrophobicContact CE2-CG 3.84Å; Y208-L272 HydrophobicContact CG-CB 4.22Å; Y208-L272 HydrophobicContact CG-CD1 4.14Å; E256-L272 HydrophobicContact CB-CD1 4Å; E256-L272 WeakPolarHBondContact OE2-CD1 3.33Å; V266-L272 HydrophobicContact CG1-CD1 4.28Å; V266-L272 HydrophobicContact CG2-CD1 4.32Å; T270-L272 HydrophobicContact CG2-CD2 3.95Å; T270-L272 HydrophobicContact CG2-CG 4.11Å; T270-L272 PolarHBondContact O-N 2.83Å
273F97.8Very high89Confident62 Ų6258 Ų5827%0.27229%0.289SS..EExtended strand (participates in β ladder)trans-67162.8161.3-56.6-40.9000110.2K164 P166 L204 V207 Y208K164-F273 VanDerWaalsContact C-CD1 3.43Å; K164-F273 VanDerWaalsContact C-CE1 3.43Å; K164-F273 HydrophobicContact CB-CE1 4.47Å; K164-F273 WeakPolarHBondContact O-CE1 3.48Å; P166-F273 HydrophobicContact CB-CD1 4.05Å; P166-F273 HydrophobicContact CB-CE1 3.95Å; P166-F273 HydrophobicContact CG-CE1 4.12Å; L204-F273 HydrophobicContact CD1-CB 4.31Å; L204-F273 HydrophobicContact CD1-CD2 3.73Å; L204-F273 HydrophobicContact CD1-CE2 4.5Å; L204-F273 HydrophobicContact CD1-CG 4.37Å; L204-F273 HydrophobicContact CD2-CD2 3.58Å; L204-F273 HydrophobicContact CD2-CE2 3.55Å; L204-F273 HydrophobicContact CG-CD2 4.27Å; V207-F273 CarbonylContact C-O 3.49Å; V207-F273 VanDerWaalsContact CA-O 3.26Å; V207-F273 WeakPolarHBondContact CA-O 3.45Å; V207-F273 WeakPolarHBondContact CB-O 3.49Å; V207-F273 HydrophobicContact CG1-CB 4.15Å; Y208-F273 PolarHBondContact N-O 2.94Å
274F98Very high88.7Confident0 Ų060.9 Ų60.90%030%0.304CS..EExtended strand (participates in β ladder)trans-150.9155.3-173.156.5-86.3000111.8V163 E165 K167 A172 N175 L183V163-F274 HydrophobicContact CB-CD1 4.37Å; V163-F274 HydrophobicContact CB-CD2 4Å; V163-F274 HydrophobicContact CB-CE1 4Å; V163-F274 HydrophobicContact CB-CE2 3.61Å; V163-F274 HydrophobicContact CB-CG 4.36Å; V163-F274 HydrophobicContact CB-CZ 3.61Å; V163-F274 HydrophobicContact CG1-CE1 3.81Å; V163-F274 HydrophobicContact CG1-CE2 3.95Å; V163-F274 HydrophobicContact CG1-CZ 3.43Å; V163-F274 VanDerWaalsContact CG1-CZ 3.43Å; V163-F274 HydrophobicContact CG2-CD2 4.16Å; V163-F274 HydrophobicContact CG2-CE2 3.65Å; V163-F274 HydrophobicContact CG2-CZ 4.05Å; V163-F274 PolarHBondContact N-O 3.06Å; V163-F274 PolarHBondContact O-N 3.17Å; E165-F274 VanDerWaalsContact O-CE1 3.31Å; E165-F274 WeakPolarHBondContact O-CE1 3.42Å; K167-F274 HydrophobicContact CB-CD1 4.29Å; K167-F274 HydrophobicContact CB-CE1 3.82Å; K167-F274 HydrophobicContact CD-CE1 3.78Å; K167-F274 HydrophobicContact CD-CZ 3.98Å; K167-F274 HydrophobicContact CG-CE1 3.89Å; A172-F274 HydrophobicContact CB-CB 4.06Å; A172-F274 HydrophobicContact CB-CD1 3.58Å; A172-F274 HydrophobicContact CB-CD2 3.97Å; A172-F274 HydrophobicContact CB-CE1 3.93Å; A172-F274 HydrophobicContact CB-CE2 4.27Å; A172-F274 HydrophobicContact CB-CG 3.61Å; A172-F274 HydrophobicContact CB-CZ 4.26Å; N175-F274 HydrophobicContact CB-CE2 3.88Å; N175-F274 HydrophobicContact CB-CZ 3.75Å; L183-F274 HydrophobicContact CD2-CB 3.82Å; L183-F274 HydrophobicContact CD2-CD2 3.98Å; L183-F274 HydrophobicContact CD2-CG 4.24Å
275I97.6Very high88.6Confident0 Ų062.7 Ų62.70%031%0.312CS..EExtended strand (participates in β ladder)trans-106.5127.8174.6-57.5175.3000108.5Y160 L161 L162 A184 M195 Y198 I199 V207 Y208Y160-I275 HydrophobicContact CD1-CG2 4.24Å; L161-I275 WeakPolarHBondContact O-CA 3.41Å; L162-I275 HydrophobicContact CD1-CD1 4.44Å; L162-I275 HydrophobicContact CD1-CG1 3.72Å; A184-I275 HydrophobicContact CB-CB 3.92Å; A184-I275 HydrophobicContact CB-CG2 3.66Å; A184-I275 WeakPolarHBondContact CB-O 3.11Å; A184-I275 PolarHBondContact N-O 2.86Å; M195-I275 HydrophobicContact CB-CD1 4.05Å; M195-I275 HydrophobicContact CG-CD1 4.12Å; M195-I275 HydrophobicContact SD-CD1 4.22Å; M195-I275 HydrophobicContact SD-CG2 4.31Å; Y198-I275 HydrophobicContact CD1-CD1 4.4Å; I199-I275 HydrophobicContact CD1-CD1 4.26Å; I199-I275 HydrophobicContact CG1-CD1 3.99Å; V207-I275 HydrophobicContact CG2-CD1 3.81Å; V207-I275 HydrophobicContact CG2-CG1 3.89Å; Y208-I275 PolarHBondContact O-N 2.71Å
276C96.6Very high88.5Confident0 Ų062.3 Ų62.30%031%0.313CS..EExtended strand (participates in β ladder)trans-95.8144.4168-58.70000110.2Y160 L161 C176 A182 F278Y160-C276 CarbonylContact C-O 3.4Å; Y160-C276 WeakPolarHBondContact CA-O 3.4Å; L161-C276 PolarHBondContact N-O 3.19Å; L161-C276 PolarHBondContact O-N 2.95Å; C176-C276 WeakPolarHBondContact CA-SG 3.48Å; C176-C276 HydrophobicContact CB-CB 3.71Å; C176-C276 WeakPolarHBondContact CB-SG 3.22Å; C176-C276 WeakPolarHBondContact SG-CA 3.03Å; C176-C276 WeakPolarHBondContact SG-CB 3.18Å; C176-C276 CovalentContact SG-SG 2.04Å; C176-C276 PolarHBondContact SG-SG 3.32Å; A182-C276 CarbonylContact O-C 3.54Å; A182-C276 VanDerWaalsContact O-CA 3.27Å; A182-C276 WeakPolarHBondContact O-CA 3.49Å; C276-F278 HydrophobicContact CB-CE2 3.62Å; C276-F278 HydrophobicContact CB-CZ 3.64Å
277E95.8Very high88.4Confident7 Ų764.9 Ų64.93%0.03332%0.324CS..EExtended strand (participates in β ladder)trans-112146.4168.366.6172.4-127.700111.5R158 Y159 Y160 G181 A182 A184 M185R158-E277 IonicContact CZ-OE1 3.59Å; R158-E277 IonicContact NH1-OE1 3.35Å; R158-E277 PolarHBondContact NH1-OE1 3.11Å; Y159-E277 CarbonylContact O-C 3.6Å; Y159-E277 VanDerWaalsContact O-CA 3.31Å; Y159-E277 WeakPolarHBondContact O-CA 3.35Å; Y160-E277 HydrophobicContact CD1-CB 3.96Å; Y160-E277 HydrophobicContact CE1-CB 3.86Å; G181-E277 CarbonylContact C-O 3.51Å; G181-E277 WeakPolarHBondContact CA-O 3.47Å; A182-E277 HydrophobicContact CB-CG 4.41Å; A182-E277 PolarHBondContact N-O 2.79Å; A182-E277 PolarHBondContact O-N 3.32Å; A184-E277 WeakPolarHBondContact CA-OE2 3.39Å; A184-E277 HydrophobicContact CB-CB 4.13Å; A184-E277 HydrophobicContact CB-CG 4.48Å; M185-E277 WeakPolarHBondContact CE-OE1 2.75Å; M185-E277 PolarHBondContact N-OE2 2.88Å
278F93.5Very high88.3Confident32 Ų3263.3 Ų63.314%0.1431%0.31CS..EExtended strand (participates in β ladder)trans-133.2131.8179.2-55.8-84.8000110R158 Y159 L161 R179 G181 C276R158-F278 CarbonylContact C-O 3.53Å; R158-F278 VanDerWaalsContact CA-O 3.25Å; R158-F278 WeakPolarHBondContact CA-O 2.97Å; Y159-F278 PolarHBondContact N-O 3.46Å; Y159-F278 PolarHBondContact O-N 3.1Å; L161-F278 HydrophobicContact CB-CE2 3.87Å; L161-F278 HydrophobicContact CD2-CE2 4.35Å; R179-F278 HydrophobicContact CB-CE1 3.51Å; R179-F278 HydrophobicContact CB-CZ 3.79Å; R179-F278 WeakPolarHBondContact O-CE1 3.43Å; G181-F278 VanDerWaalsContact CA-CD1 3.48Å; C276-F278 HydrophobicContact CB-CE2 3.62Å; C276-F278 HydrophobicContact CB-CZ 3.64Å
279P91.1Very high88Confident82 Ų8266.1 Ų66.153%0.53232%0.322SS..EExtended strand (participates in β ladder)trans-67.5140.5172.929.4-33.4000110.1
280K87.4Confident87.7Confident49 Ų4962.8 Ų62.821%0.21331%0.307CS..PPolyproline II helixtrans-75.1133.5164.5-64.6-165.3-160.2177.10108.9E154 T155 E156 D157 Y159 R282E154-K280 VanDerWaalsContact CG-NZ 3.3Å; E154-K280 WeakPolarHBondContact OE1-CE 3.33Å; E154-K280 IonicContact OE1-NZ 2.59Å; E154-K280 PolarHBondContact OE1-NZ 2.93Å; T155-K280 WeakPolarHBondContact O-CE 3.42Å; T155-K280 PolarHBondContact O-NZ 3.12Å; E156-K280 VanDerWaalsContact O-CD 3.31Å; E156-K280 WeakPolarHBondContact O-CD 3.21Å; E156-K280 WeakPolarHBondContact O-CE 3.33Å; E156-K280 PolarHBondContact O-NZ 3.4Å; E156-K280 VanDerWaalsContact O-NZ 3.11Å; D157-K280 WeakPolarHBondContact O-CB 3.01Å; D157-K280 WeakPolarHBondContact O-CG 3.29Å; D157-K280 PolarHBondContact O-N 3.32Å; Y159-K280 HydrophobicContact CD2-CG 4.08Å; Y159-K280 HydrophobicContact CE1-CD 3.98Å; Y159-K280 VanDerWaalsContact CE1-CE 3.42Å; Y159-K280 HydrophobicContact CE1-CG 4.15Å; Y159-K280 HydrophobicContact CE2-CD 4.22Å; Y159-K280 HydrophobicContact CE2-CG 3.65Å; K280-R282 PolarHBondContact O-N 2.9Å
281S77.3Confident87.3Confident98 Ų9864.2 Ų64.269%0.68531%0.31SS*.PPolyproline II helixtrans-57.5116.2171.4-166.70000108.2R283S281-R283 PolarHBondContact O-N 3.47Å
282R61.8Low86.6Confident239 Ų23962.4 Ų62.490%0.90229%0.289SS*.PPolyproline II helixtrans-66127161.9-72.5-172.8178.3-168-1.2106.2K280K280-R282 PolarHBondContact O-N 2.9Å
283R44.8Very low85.6Confident169 Ų16967.1 Ų67.164%0.63831%0.31SS*.  trans-86.40169.3-70.9170.1165.1-120.7-32.6108.4E23 K26 E30 S281E23-R283 IonicContact OE2-CZ 3.71Å; E23-R283 IonicContact OE2-NE 2.65Å; E23-R283 IonicContact OE2-NH2 2.7Å; E23-R283 PolarHBondContact OE2-NH2 2.83Å; K26-R283 VanDerWaalsContact CB-NH2 3.3Å; K26-R283 VanDerWaalsContact CD-CZ 3.46Å; K26-R283 VanDerWaalsContact CE-NH2 3.31Å; E30-R283 IonicContact OE1-CZ 2.94Å; E30-R283 IonicContact OE1-NH1 2.77Å; E30-R283 PolarHBondContact OE1-NH1 3.36Å; E30-R283 IonicContact OE2-NH1 3.68Å; S281-R283 PolarHBondContact O-N 3.47Å

Retrieved 283 of 283 residues in 681.2 ms (Link to these results)