A0A061I3H2_CRIGR Loading...

E2F-associated phosphoprotein

AlphaFold DB , UniProt , Accession A0A061I3H2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Eapp, 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
1M36Very low49.4Very low221 Ų221163.1 Ų163.1100%1.08978%0.779SS**  0127.50-79.575.6-17900108.6
2N39.7Very low50Low140 Ų140156.3 Ų156.375%0.74977%0.771SS**  trans56.2142.9147.4-61-16.9000118.9
3R42.8Very low50.5Low211 Ų211153.5 Ų153.580%0.79677%0.767SS**  cis-173.1134-3.1-116.2178.1174.1163.9-3.8104.3
4L51.3Low50.7Low136 Ų136155.6 Ų155.671%0.71277%0.773SS**  trans24.7117133-63.6165.3000118.1
5Q48.5Very low50.9Low186 Ų186156.7 Ų156.787%0.86978%0.775SS**  trans-129.1105.5141.3-153.896.735.800105.9D7Q5-D7 PolarHBondContact O-N 3.31Å
6D50.1Low50.6Low130 Ų130154.4 Ų154.470%0.69578%0.776SS**  trans-67113.9175.6-65.8-70.9000109.7Y8D6-Y8 VanDerWaalsContact C-N 3.34Å; D6-Y8 PolarHBondContact O-N 2.85Å
7D48.6Very low50.8Low167 Ų167151.2 Ų151.289%0.89377%0.771SS**  trans-8188160.8-77.8-53000107.6Q5 D9Q5-D7 PolarHBondContact O-N 3.31Å; D7-D9 PolarHBondContact O-N 3.09Å
8Y53.3Low50.8Low207 Ų207150.5 Ų150.581%0.81277%0.77SS**  trans-79.2103.4169.1-169.4-98.5000107.9D6 P10D6-Y8 VanDerWaalsContact C-N 3.34Å; D6-Y8 PolarHBondContact O-N 2.85Å; Y8-P10 VanDerWaalsContact O-CD 3.28Å; Y8-P10 WeakPolarHBondContact O-CD 3.46Å
9D63.5Low50.9Low107 Ų107151.5 Ų151.557%0.57277%0.771SS**  trans-79.8111.6170.5-175.4-3.8000109.4D7 Y11D7-D9 PolarHBondContact O-N 3.09Å; D9-Y11 PolarHBondContact O-N 2.97Å; D9-Y11 PolarHBondContact OD1-N 2.78Å
10P58.8Low50.6Low97 Ų97151.7 Ų151.763%0.6377%0.769SS**THydrogen-bonded Turntrans-77.57.3-179.631.2-30.4000113.9Y8Y8-P10 VanDerWaalsContact O-CD 3.28Å; Y8-P10 WeakPolarHBondContact O-CD 3.46Å
11Y51.2Low50.1Low192 Ų192149.6 Ų149.675%0.75377%0.765SS**THydrogen-bonded Turntrans-118.428.1177-67.8-79.8000114D9 V13D9-Y11 PolarHBondContact O-N 2.97Å; D9-Y11 PolarHBondContact OD1-N 2.78Å; Y11-V13 VanDerWaalsContact C-N 3.26Å; Y11-V13 PolarHBondContact O-N 2.77Å
12A55.7Low50.3Low82 Ų82142.9 Ų142.968%0.67875%0.745SS**  trans-65.690.1164.200000109.6E14A12-E14 PolarHBondContact O-N 2.84Å
13V56.6Low50.4Low120 Ų120144.7 Ų144.773%0.72775%0.754SS**  trans-75.8100.1168.3179.60000106.3Y11 E15Y11-V13 VanDerWaalsContact C-N 3.26Å; Y11-V13 PolarHBondContact O-N 2.77Å; V13-E15 PolarHBondContact O-N 3.34Å
14E54.3Low50.1Low182 Ų182137.9 Ų137.985%0.8574%0.738SS**  trans-66101.5164.9-69.7-175.6166.700107.4A12 P16A12-E14 PolarHBondContact O-N 2.84Å; E14-P16 VanDerWaalsContact O-CD 3.28Å; E14-P16 WeakPolarHBondContact O-CD 3.38Å
15E53.5Low50Low172 Ų172137.6 Ų137.680%0.80475%0.747SS**  trans-67118.1165.4-71.1-172.7138.900108V13 S17V13-E15 PolarHBondContact O-N 3.34Å; E15-S17 PolarHBondContact O-N 3.37Å; E15-S17 VanDerWaalsContact O-N 3.1Å
16P45.9Very low50.1Low121 Ų121131.9 Ų131.979%0.78673%0.728SS**  trans-69.6108.6166.7-5.522.2000107.2E14 D18E14-P16 VanDerWaalsContact O-CD 3.28Å; E14-P16 WeakPolarHBondContact O-CD 3.38Å; P16-D18 PolarHBondContact O-N 3.29Å
17S53.2Low49.8Very low100 Ų100132.6 Ų132.670%0.69973%0.727SS**  trans-65.496.1168.5-171.10000108.7E15 E19E15-S17 PolarHBondContact O-N 3.37Å; E15-S17 VanDerWaalsContact O-N 3.1Å; S17-E19 VanDerWaalsContact C-N 3.26Å; S17-E19 PolarHBondContact O-N 3.39Å; S17-E19 VanDerWaalsContact O-N 3.07Å
18D51.7Low50.5Low138 Ų138130.4 Ų130.474%0.73872%0.716SS**  trans-78.574.9171.9-166.522.5000109.1P16 E20P16-D18 PolarHBondContact O-N 3.29Å; D18-E20 VanDerWaalsContact C-N 3.32Å; D18-E20 PolarHBondContact O-N 2.64Å; D18-E20 WeakPolarHBondContact OD1-CG 3.43Å
19E52.3Low51.5Low169 Ų169125.7 Ų125.779%0.7970%0.701SS**  trans-88.972.2167.1-63.5-157.8151.600109.6S17 P21S17-E19 VanDerWaalsContact C-N 3.26Å; S17-E19 PolarHBondContact O-N 3.39Å; S17-E19 VanDerWaalsContact O-N 3.07Å; E19-P21 WeakPolarHBondContact O-CD 3.36Å
20E44.3Very low51.9Low156 Ų156124.6 Ų124.673%0.72970%0.698SS**  trans-83.5116.3161.4-73.6-78.4137.400107.9D18 A22D18-E20 VanDerWaalsContact C-N 3.32Å; D18-E20 PolarHBondContact O-N 2.64Å; D18-E20 WeakPolarHBondContact OD1-CG 3.43Å; E20-A22 PolarHBondContact O-N 3.3Å
21P41.8Very low52.7Low107 Ų107124.4 Ų124.470%0.69569%0.692SS**  trans-69104.4173.627.5-29.7000107.9E19 L23E19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-L23 PolarHBondContact O-N 3.44Å
22A38.7Very low54.1Low80 Ų80116.5 Ų116.566%0.66166%0.663SS**  trans-59.3102.5167.300000108E20 S24E20-A22 PolarHBondContact O-N 3.3Å; A22-S24 PolarHBondContact O-N 3.15Å
23L42.4Very low55.1Low179 Ų179116.6 Ų116.694%0.93765%0.652SS**  trans-70.167.8160.6-64.6176.5000107.9P21P21-L23 PolarHBondContact O-N 3.44Å
24S35.8Very low56.2Low68 Ų68116.5 Ų116.548%0.47665%0.647SS.*  trans-89.1115.9170.7-177.90000107.7A22 S26A22-S24 PolarHBondContact O-N 3.15Å; S24-S26 PolarHBondContact O-N 2.72Å; S24-S26 PolarHBondContact OG-OG 3.09Å
25S49.5Very low57.5Low129 Ų129114.8 Ų114.890%0.90264%0.638SS**THydrogen-bonded Turntrans-67.242.9-180-176.10000113.8
26S51.3Low58.8Low66 Ų66107.4 Ų107.446%0.46261%0.609SS.*THydrogen-bonded Turntrans-125.9-8.4179.558.60000113.6S24 D28S24-S26 PolarHBondContact O-N 2.72Å; S24-S26 PolarHBondContact OG-OG 3.09Å; S26-D28 VanDerWaalsContact C-N 3.32Å
27E44.4Very low60.8Low145 Ų145105.2 Ų105.268%0.67859%0.593SS**Hα-helixtrans-79.5-13.2-179.6-58.3-157.9128.200113.5V30E27-V30 VanDerWaalsContact O-CG2 3.24Å; E27-V30 WeakPolarHBondContact O-CG2 3.33Å
28D61.4Low62.2Low122 Ų122105 Ų10565%0.65259%0.589SS**Hα-helixtrans-74.4-27.7-179.3-160.543.5000112.5S26 V32S26-D28 VanDerWaalsContact C-N 3.32Å; D28-V32 WeakPolarHBondContact O-CB 3.26Å; D28-V32 WeakPolarHBondContact O-CG2 3.45Å; D28-V32 PolarHBondContact O-N 2.95Å
29E74.3Confident63.5Low108 Ų108104.5 Ų104.551%0.50559%0.587SS.*Hα-helixtrans-72.7-42.2-178.3-61.6-174.4176.900113D31 V32 L33 L44E29-D31 VanDerWaalsContact C-N 3.33Å; E29-V32 PolarHBondContact O-N 3.33Å; E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.25Å; E29-L44 HydrophobicContact CB-CD1 4.39Å; E29-L44 HydrophobicContact CB-CD2 4.24Å; E29-L44 HydrophobicContact CG-CD1 4.06Å; E29-L44 WeakPolarHBondContact O-CD2 3.5Å
30V71.9Confident64.9Low83 Ų83101 Ų10150%0.50357%0.57SS.*Hα-helixtrans-67.3-37.3177.6-78.20000110.9E27 L33 L34E27-V30 VanDerWaalsContact O-CG2 3.24Å; E27-V30 WeakPolarHBondContact O-CG2 3.33Å; V30-L33 PolarHBondContact O-N 3.08Å; V30-L34 WeakPolarHBondContact O-CD1 3.34Å; V30-L34 PolarHBondContact O-N 2.95Å
31D76.9Confident66.8Low94 Ų9496.6 Ų96.650%0.50355%0.549SS..Hα-helixtrans-71.8-35.6178.3-13534.9000111.6E29 L34 H35 G36E29-D31 VanDerWaalsContact C-N 3.33Å; D31-L34 PolarHBondContact O-N 3.28Å; D31-H35 WeakPolarHBondContact O-CA 3.14Å; D31-H35 PolarHBondContact O-N 2.89Å; D31-H35 IonicContact OD1-CD2 3.36Å; D31-H35 PolarHBondContact OD1-CD2 3.17Å; D31-G36 PolarHBondContact O-N 2.83Å
32V79.7Confident68.7Low25 Ų25100.3 Ų100.315%0.15255%0.549CS..Hα-helixtrans-64.6-38.1170.4169.50000111.7D28 E29 G36 Q40 K41 L44D28-V32 WeakPolarHBondContact O-CB 3.26Å; D28-V32 WeakPolarHBondContact O-CG2 3.45Å; D28-V32 PolarHBondContact O-N 2.95Å; E29-V32 PolarHBondContact O-N 3.33Å; V32-G36 WeakPolarHBondContact O-CA 3.26Å; V32-G36 PolarHBondContact O-N 2.97Å; V32-Q40 HydrophobicContact CG1-CB 3.82Å; V32-K41 VanDerWaalsContact O-CE 3.26Å; V32-K41 WeakPolarHBondContact O-CE 3.43Å; V32-K41 VanDerWaalsContact O-CG 3.28Å; V32-K41 WeakPolarHBondContact O-CG 3.41Å; V32-L44 HydrophobicContact CB-CD2 4.16Å; V32-L44 HydrophobicContact CG1-CB 4.37Å; V32-L44 HydrophobicContact CG1-CD2 3.89Å
33L78.2Confident70.8Confident84 Ų84102.6 Ų102.644%0.4454%0.544SS..Hα-helixtrans-68.7-38.8176.6-80.5162.8000113.2E29 V30 K41 L44E29-L33 WeakPolarHBondContact O-CG 3.39Å; E29-L33 PolarHBondContact O-N 3.25Å; V30-L33 PolarHBondContact O-N 3.08Å; L33-K41 WeakPolarHBondContact O-CE 3.48Å; L33-K41 PolarHBondContact O-NZ 3.35Å; L33-L44 HydrophobicContact CD1-CD2 4.22Å; L33-L44 HydrophobicContact CD2-CD2 4.37Å; L33-L44 HydrophobicContact CG-CD2 3.8Å
34L78.7Confident72.6Confident119 Ų11995.1 Ų95.162%0.62351%0.505SS*.Hα-helixtrans-81.7-52179.2-84.7107.5000111.9V30 D31 K41V30-L34 WeakPolarHBondContact O-CD1 3.34Å; V30-L34 PolarHBondContact O-N 2.95Å; D31-L34 PolarHBondContact O-N 3.28Å; L34-K41 PolarHBondContact O-NZ 2.96Å
35H81.2Confident74.7Confident146 Ų14696 Ų9668%0.67650%0.503SS*.Hα-helixtrans-115-9-166.7-58.6-61.3000115D31D31-H35 WeakPolarHBondContact O-CA 3.14Å; D31-H35 PolarHBondContact O-N 2.89Å; D31-H35 IonicContact OD1-CD2 3.36Å; D31-H35 PolarHBondContact OD1-CD2 3.17Å
36G81.9Confident76.2Confident17 Ų1798 Ų9818%0.17549%0.491CS..SBendtrans-65162.9179.800000114.8D31 V32 K41D31-G36 PolarHBondContact O-N 2.83Å; V32-G36 WeakPolarHBondContact O-CA 3.26Å; V32-G36 PolarHBondContact O-N 2.97Å; G36-K41 WeakPolarHBondContact O-CE 3.43Å
37T87.2Confident77.2Confident74 Ų7497.8 Ų97.845%0.45448%0.482SS..  trans-69.2156.5173.560.70000111.2D39 Q40 K41T37-D39 PolarHBondContact O-N 3.3Å; T37-D39 VanDerWaalsContact O-N 3.12Å; T37-Q40 PolarHBondContact O-N 3.24Å; T37-Q40 VanDerWaalsContact OG1-CD 3.24Å; T37-Q40 VanDerWaalsContact OG1-CG 3.28Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.33Å; T37-Q40 PolarHBondContact OG1-OE1 3.29Å; T37-K41 PolarHBondContact O-N 3.04Å
38P82.1Confident78.6Confident97 Ų9795.3 Ų95.363%0.6348%0.48SS*.Hα-helixtrans-56-31.3179.9-26.334.8000114.2R42P38-R42 WeakPolarHBondContact O-CB 3.47Å; P38-R42 VanDerWaalsContact O-CG 3.26Å; P38-R42 WeakPolarHBondContact O-CG 3.25Å; P38-R42 PolarHBondContact O-N 2.66Å; P38-R42 VanDerWaalsContact O-N 3.1Å
39D79.9Confident79.1Confident127 Ų12796.2 Ų96.268%0.67948%0.484SS*.Hα-helixtrans-74.5-36.5176.8-75.6-24.7000112.3T37 R42 K43T37-D39 PolarHBondContact O-N 3.3Å; T37-D39 VanDerWaalsContact O-N 3.12Å; D39-R42 PolarHBondContact O-N 3.17Å; D39-K43 WeakPolarHBondContact O-CB 3.34Å; D39-K43 PolarHBondContact O-N 2.89Å
40Q80.5Confident78.8Confident96 Ų9694.7 Ų94.745%0.44948%0.483SS..Hα-helixtrans-65.7-42.5173.4-71.6166.1-31.500111.3V32 T37 R42 K43 L44V32-Q40 HydrophobicContact CG1-CB 3.82Å; T37-Q40 PolarHBondContact O-N 3.24Å; T37-Q40 VanDerWaalsContact OG1-CD 3.24Å; T37-Q40 VanDerWaalsContact OG1-CG 3.28Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.33Å; T37-Q40 PolarHBondContact OG1-OE1 3.29Å; Q40-R42 PolarHBondContact O-N 3.15Å; Q40-K43 PolarHBondContact O-N 3.12Å; Q40-L44 WeakPolarHBondContact O-CB 3.29Å; Q40-L44 PolarHBondContact O-N 3.15Å
41K85.8Confident78.3Confident62 Ų6293.7 Ų93.727%0.2749%0.489SS..Hα-helixtrans-61.7-42.6175.2-65-174.9-170.8-161.60111.9V32 L33 L34 G36 T37 I45V32-K41 VanDerWaalsContact O-CE 3.26Å; V32-K41 WeakPolarHBondContact O-CE 3.43Å; V32-K41 VanDerWaalsContact O-CG 3.28Å; V32-K41 WeakPolarHBondContact O-CG 3.41Å; L33-K41 WeakPolarHBondContact O-CE 3.48Å; L33-K41 PolarHBondContact O-NZ 3.35Å; L34-K41 PolarHBondContact O-NZ 2.96Å; G36-K41 WeakPolarHBondContact O-CE 3.43Å; T37-K41 PolarHBondContact O-N 3.04Å; K41-I45 WeakPolarHBondContact O-CB 3.47Å; K41-I45 WeakPolarHBondContact O-CD1 3.29Å; K41-I45 WeakPolarHBondContact O-CG1 3.25Å; K41-I45 PolarHBondContact O-N 2.75Å
42R81.8Confident77.1Confident185 Ų18595.8 Ų95.870%0.69850%0.496SS*.Hα-helixtrans-67.4-36.5177-75.5174-176.4-126.31.2112.6P38 D39 Q40 R46P38-R42 WeakPolarHBondContact O-CB 3.47Å; P38-R42 VanDerWaalsContact O-CG 3.26Å; P38-R42 WeakPolarHBondContact O-CG 3.25Å; P38-R42 PolarHBondContact O-N 2.66Å; P38-R42 VanDerWaalsContact O-N 3.1Å; D39-R42 PolarHBondContact O-N 3.17Å; Q40-R42 PolarHBondContact O-N 3.15Å; R42-R46 WeakPolarHBondContact O-CB 3.37Å; R42-R46 PolarHBondContact O-N 3.47Å; R42-R46 VanDerWaalsContact O-N 3.11Å
43K80.9Confident75.7Confident129 Ų12997.4 Ų97.456%0.56151%0.508SS*.Hα-helixtrans-66.1-48176.3-167.6178.4-179.9-175.50110.6D39 Q40 I45 R46 E47 E54D39-K43 WeakPolarHBondContact O-CB 3.34Å; D39-K43 PolarHBondContact O-N 2.89Å; Q40-K43 PolarHBondContact O-N 3.12Å; K43-I45 PolarHBondContact O-N 2.97Å; K43-R46 WeakPolarHBondContact O-CB 3.33Å; K43-R46 PolarHBondContact O-N 3.29Å; K43-E47 WeakPolarHBondContact O-CB 3.37Å; K43-E47 PolarHBondContact O-N 3.2Å; K43-E54 IonicContact NZ-OE2 3.89Å
44L80.8Confident73.9Confident22 Ų22101.9 Ų101.912%0.11553%0.527CS..Hα-helixtrans-61.7-44.6177.9-17367.6000112.3E29 V32 L33 Q40 R46 E47 C48E29-L44 HydrophobicContact CB-CD1 4.39Å; E29-L44 HydrophobicContact CB-CD2 4.24Å; E29-L44 HydrophobicContact CG-CD1 4.06Å; E29-L44 WeakPolarHBondContact O-CD2 3.5Å; V32-L44 HydrophobicContact CB-CD2 4.16Å; V32-L44 HydrophobicContact CG1-CB 4.37Å; V32-L44 HydrophobicContact CG1-CD2 3.89Å; L33-L44 HydrophobicContact CD1-CD2 4.22Å; L33-L44 HydrophobicContact CD2-CD2 4.37Å; L33-L44 HydrophobicContact CG-CD2 3.8Å; Q40-L44 WeakPolarHBondContact O-CB 3.29Å; Q40-L44 PolarHBondContact O-N 3.15Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.92Å; L44-E47 WeakPolarHBondContact O-CB 3.44Å; L44-E47 PolarHBondContact O-N 3.36Å; L44-C48 PolarHBondContact O-N 2.81Å; L44-C48 PolarHBondContact O-SG 3.47Å
45I80.5Confident72Confident85 Ų85100.9 Ų100.944%0.43653%0.529SS..Hα-helixtrans-63.7-38.1177.2-69.7166.4000111.7K41 K43 L49K41-I45 WeakPolarHBondContact O-CB 3.47Å; K41-I45 WeakPolarHBondContact O-CD1 3.29Å; K41-I45 WeakPolarHBondContact O-CG1 3.25Å; K41-I45 PolarHBondContact O-N 2.75Å; K43-I45 PolarHBondContact O-N 2.97Å; I45-L49 HydrophobicContact CG2-CD1 3.63Å; I45-L49 WeakPolarHBondContact O-CB 3.41Å; I45-L49 WeakPolarHBondContact O-CD1 3.35Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 3.23Å
46R79.8Confident70.5Confident172 Ų17299.8 Ų99.865%0.64954%0.539SS*.Hα-helixtrans-63.5-47.6176178.7-179.9-64.3-142-2.5110.3R42 K43 L44 C48 L49 T50R42-R46 WeakPolarHBondContact O-CB 3.37Å; R42-R46 PolarHBondContact O-N 3.47Å; R42-R46 VanDerWaalsContact O-N 3.11Å; K43-R46 WeakPolarHBondContact O-CB 3.33Å; K43-R46 PolarHBondContact O-N 3.29Å; L44-R46 VanDerWaalsContact C-N 3.32Å; L44-R46 PolarHBondContact O-N 2.92Å; R46-C48 PolarHBondContact O-N 3.1Å; R46-L49 PolarHBondContact O-N 3.37Å; R46-L49 VanDerWaalsContact O-N 3.13Å; R46-T50 PolarHBondContact O-N 3.35Å; R46-T50 PolarHBondContact O-OG1 3.14Å
47E74.1Confident68.7Low61 Ų61103.5 Ų103.529%0.28556%0.562SS.*Hα-helixtrans-58-45.5178.6-174170.7-175.200112.2K43 L44 L49 G51 S53K43-E47 WeakPolarHBondContact O-CB 3.37Å; K43-E47 PolarHBondContact O-N 3.2Å; L44-E47 WeakPolarHBondContact O-CB 3.44Å; L44-E47 PolarHBondContact O-N 3.36Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.86Å; E47-G51 VanDerWaalsContact O-CA 3.25Å; E47-G51 WeakPolarHBondContact O-CA 3.46Å; E47-G51 PolarHBondContact O-N 3.3Å; E47-S53 WeakPolarHBondContact CG-OG 3.21Å; E47-S53 WeakPolarHBondContact OE1-CA 3.33Å; E47-S53 WeakPolarHBondContact OE1-CB 3.33Å; E47-S53 PolarHBondContact OE1-OG 3.11Å
48C73.8Confident67Low93 Ų93106.8 Ų106.863%0.62857%0.572SS**Hα-helixtrans-66.4-27.8176.2-59.40000114.1L44 R46L44-C48 PolarHBondContact O-N 2.81Å; L44-C48 PolarHBondContact O-SG 3.47Å; R46-C48 PolarHBondContact O-N 3.1Å
49L71.1Confident66.1Low141 Ų141106.4 Ų106.474%0.73857%0.565SS**Hα-helixtrans-92.9-32.7-175.6-76.4166.9000113.4I45 R46 E47I45-L49 HydrophobicContact CG2-CD1 3.63Å; I45-L49 WeakPolarHBondContact O-CB 3.41Å; I45-L49 WeakPolarHBondContact O-CD1 3.35Å; I45-L49 WeakPolarHBondContact O-CG 3.48Å; I45-L49 PolarHBondContact O-N 3.23Å; R46-L49 PolarHBondContact O-N 3.37Å; R46-L49 VanDerWaalsContact O-N 3.13Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.86Å
50T69Low65.9Low77 Ų77108.3 Ų108.347%0.47257%0.569SS.*Hα-helixtrans-104.9-12.9-179.363.10000113.2R46 E52R46-T50 PolarHBondContact O-N 3.35Å; R46-T50 PolarHBondContact O-OG1 3.14Å; T50-E52 PolarHBondContact O-N 2.71Å; T50-E52 PolarHBondContact OG1-OE2 2.93Å; T50-E52 VanDerWaalsContact OG1-OE2 3.05Å
51G61.1Low65.9Low61 Ų61109.3 Ų109.363%0.62957%0.573SS**  trans69.911.4-177.500000113.6E47 S53E47-G51 VanDerWaalsContact O-CA 3.25Å; E47-G51 WeakPolarHBondContact O-CA 3.46Å; E47-G51 PolarHBondContact O-N 3.3Å; G51-S53 VanDerWaalsContact C-N 3.34Å; G51-S53 PolarHBondContact O-N 3.45Å; G51-S53 VanDerWaalsContact O-N 3.11Å
52E51.4Low65.8Low139 Ų139112.7 Ų112.765%0.6559%0.589SS**  trans-87.772-177.1-61.8176.6131.200110.3T50T50-E52 PolarHBondContact O-N 2.71Å; T50-E52 PolarHBondContact OG1-OE2 2.93Å; T50-E52 VanDerWaalsContact OG1-OE2 3.05Å
53S49.6Very low66Low59 Ų59109.7 Ų109.741%0.41358%0.581SS.*  trans-78.4131.6164.3-55.40000109.4E47 G51 S55E47-S53 WeakPolarHBondContact CG-OG 3.21Å; E47-S53 WeakPolarHBondContact OE1-CA 3.33Å; E47-S53 WeakPolarHBondContact OE1-CB 3.33Å; E47-S53 PolarHBondContact OE1-OG 3.11Å; G51-S53 VanDerWaalsContact C-N 3.34Å; G51-S53 PolarHBondContact O-N 3.45Å; G51-S53 VanDerWaalsContact O-N 3.11Å; S53-S55 PolarHBondContact O-N 3.45Å; S53-S55 VanDerWaalsContact O-N 3.08Å
54E40.3Very low66.5Low177 Ų177108.7 Ų108.783%0.82758%0.579SS**  trans-75.922.2164.6-60.3-178119.200111.8K43 S56K43-E54 IonicContact NZ-OE2 3.89Å; E54-S56 VanDerWaalsContact C-N 3.28Å; E54-S56 PolarHBondContact O-N 2.74Å
55S40Very low67Low98 Ų98111.9 Ų111.969%0.68559%0.594SS**  trans-79.383167.7-78.30000108.7S53 S57S53-S55 PolarHBondContact O-N 3.45Å; S53-S55 VanDerWaalsContact O-N 3.08Å; S55-S57 PolarHBondContact O-N 3.37Å
56S48.4Very low67.4Low124 Ų124114 Ų11487%0.86760%0.602SS**  trans-64.481.1165.6167.70000110.4E54E54-S56 VanDerWaalsContact C-N 3.28Å; E54-S56 PolarHBondContact O-N 2.74Å
57S44.3Very low68Low95 Ų95108.7 Ų108.766%0.66460%0.595SS**  trans-125.286.5139.659.10000106.5S55 D59S55-S57 PolarHBondContact O-N 3.37Å; S57-D59 PolarHBondContact O-N 3.08Å
58E51.8Low68.8Low142 Ų142111.6 Ų111.666%0.66461%0.608SS**  trans-5787.7159-166.6-179.9136.700105.7E60 K63E58-E60 PolarHBondContact O-N 3.07Å; E58-K63 WeakPolarHBondContact OE1-CD 3.47Å; E58-K63 IonicContact OE1-NZ 3.7Å; E58-K63 PolarHBondContact OE1-NZ 2.95Å
59D62.7Low69.7Low90 Ų90111.8 Ų111.848%0.48160%0.603SS.*  trans-66.3119.8-178-157.59.7000106.3S57 F61 E62 K63S57-D59 PolarHBondContact O-N 3.08Å; D59-F61 PolarHBondContact O-N 2.84Å; D59-E62 HydrophobicContact CB-CG 4.4Å; D59-E62 PolarHBondContact O-N 2.87Å; D59-K63 PolarHBondContact O-N 2.78Å
60E75.8Confident70.6Confident166 Ų166109.9 Ų109.978%0.77659%0.593SS**Hα-helixtrans-51.6-30.7-177.3-172.7174.3-176.900110.5E58 E64E58-E60 PolarHBondContact O-N 3.07Å; E60-E64 VanDerWaalsContact O-CB 3.29Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 PolarHBondContact O-N 2.76Å
61F81.8Confident71.7Confident118 Ų118109.6 Ų109.652%0.51859%0.594SS.*Hα-helixtrans-64.7-44.1174.7-174-107.2000114.7D59 K63 E64 M65D59-F61 PolarHBondContact O-N 2.84Å; F61-K63 VanDerWaalsContact C-N 3.33Å; F61-E64 PolarHBondContact O-N 2.91Å; F61-M65 HydrophobicContact CD1-CE 4.36Å; F61-M65 HydrophobicContact CE1-CE 3.49Å; F61-M65 VanDerWaalsContact CE1-CE 3.49Å; F61-M65 HydrophobicContact CZ-CE 3.79Å; F61-M65 VanDerWaalsContact O-CB 3.31Å; F61-M65 WeakPolarHBondContact O-CB 3.42Å; F61-M65 PolarHBondContact O-N 2.89Å
62E83Confident73.1Confident132 Ų132110 Ų11062%0.61759%0.585SS**Hα-helixtrans-67.9-38.6179.4-76.3-174.516700111.1D59 M65 E66D59-E62 HydrophobicContact CB-CG 4.4Å; D59-E62 PolarHBondContact O-N 2.87Å; E62-M65 PolarHBondContact O-N 3.42Å; E62-E66 WeakPolarHBondContact O-CB 3.49Å; E62-E66 PolarHBondContact O-N 3.45Å
63K86.8Confident75Confident122 Ų122107.4 Ų107.453%0.5357%0.574SS.*Hα-helixtrans-68.7-38.6176.1-168.7176.4-169.11670112.1E58 D59 F61 A67E58-K63 WeakPolarHBondContact OE1-CD 3.47Å; E58-K63 IonicContact OE1-NZ 3.7Å; E58-K63 PolarHBondContact OE1-NZ 2.95Å; D59-K63 PolarHBondContact O-N 2.78Å; F61-K63 VanDerWaalsContact C-N 3.33Å; K63-A67 VanDerWaalsContact O-CB 3.28Å; K63-A67 WeakPolarHBondContact O-CB 3.21Å; K63-A67 PolarHBondContact O-N 3.29Å
64E90.1Very high76.9Confident109 Ų109110.8 Ų110.851%0.50958%0.582SS.*Hα-helixtrans-63.2-46.6172-176.9173.3-152.100110.6E60 F61 E66 A67 E68E60-E64 VanDerWaalsContact O-CB 3.29Å; E60-E64 WeakPolarHBondContact O-CB 3.4Å; E60-E64 PolarHBondContact O-N 2.76Å; F61-E64 PolarHBondContact O-N 2.91Å; E64-E66 VanDerWaalsContact C-N 3.35Å; E64-E66 PolarHBondContact O-N 3.24Å; E64-A67 CarbonylContact O-C 3.59Å; E64-A67 PolarHBondContact O-N 3.33Å; E64-E68 HydrophobicContact CG-CG 4.45Å; E64-E68 WeakPolarHBondContact O-CB 3.37Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.11Å
65M90.8Very high79.3Confident89 Ų89105.8 Ų105.844%0.43856%0.563SS.*Hα-helixtrans-58.7-45.4176.5-179.6-177.5-65.300111.7F61 E62 A67 E68 L69F61-M65 HydrophobicContact CD1-CE 4.36Å; F61-M65 HydrophobicContact CE1-CE 3.49Å; F61-M65 VanDerWaalsContact CE1-CE 3.49Å; F61-M65 HydrophobicContact CZ-CE 3.79Å; F61-M65 VanDerWaalsContact O-CB 3.31Å; F61-M65 WeakPolarHBondContact O-CB 3.42Å; F61-M65 PolarHBondContact O-N 2.89Å; E62-M65 PolarHBondContact O-N 3.42Å; M65-A67 VanDerWaalsContact C-N 3.32Å; M65-A67 PolarHBondContact O-N 3.27Å; M65-E68 PolarHBondContact O-N 3.41Å; M65-L69 HydrophobicContact CG-CD1 4.05Å; M65-L69 WeakPolarHBondContact O-CB 3.19Å; M65-L69 VanDerWaalsContact O-CG 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.44Å; M65-L69 PolarHBondContact O-N 2.79Å
66E89.9Confident81.2Confident130 Ų130106.5 Ų106.561%0.60756%0.557SS**Hα-helixtrans-68.1-35179.8-158.6171.7-140.700111.5E62 E64 N70E62-E66 WeakPolarHBondContact O-CB 3.49Å; E62-E66 PolarHBondContact O-N 3.45Å; E64-E66 VanDerWaalsContact C-N 3.35Å; E64-E66 PolarHBondContact O-N 3.24Å; E66-N70 WeakPolarHBondContact O-CB 3.42Å; E66-N70 PolarHBondContact O-N 3.37Å; E66-N70 PolarHBondContact O-ND2 2.86Å
67A91.4Very high82.9Confident59 Ų59105.9 Ų105.949%0.48854%0.541SS..Hα-helixtrans-68.3-41.6172.600000112.4K63 E64 M65 N70 S71K63-A67 VanDerWaalsContact O-CB 3.28Å; K63-A67 WeakPolarHBondContact O-CB 3.21Å; K63-A67 PolarHBondContact O-N 3.29Å; E64-A67 CarbonylContact O-C 3.59Å; E64-A67 PolarHBondContact O-N 3.33Å; M65-A67 VanDerWaalsContact C-N 3.32Å; M65-A67 PolarHBondContact O-N 3.27Å; A67-N70 PolarHBondContact O-N 2.94Å; A67-S71 VanDerWaalsContact O-CB 3.23Å; A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 2.82Å
68E92.8Very high84.4Confident122 Ų122105.9 Ų105.957%0.5753%0.533SS*.Hα-helixtrans-64.3-43.3175.6-76.5-163.6161.200111.6E64 M65 S71 T72E64-E68 HydrophobicContact CG-CG 4.45Å; E64-E68 WeakPolarHBondContact O-CB 3.37Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.11Å; M65-E68 PolarHBondContact O-N 3.41Å; E68-S71 PolarHBondContact O-N 2.77Å; E68-T72 WeakPolarHBondContact O-CB 3.48Å; E68-T72 PolarHBondContact O-N 3.28Å; E68-T72 PolarHBondContact O-OG1 2.75Å
69L91.1Very high85.8Confident98 Ų98106.1 Ų106.151%0.51353%0.532SS..Hα-helixtrans-60.7-50.2175.2-77.9168.9000111M65 S71 T72 I73M65-L69 HydrophobicContact CG-CD1 4.05Å; M65-L69 WeakPolarHBondContact O-CB 3.19Å; M65-L69 VanDerWaalsContact O-CG 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.44Å; M65-L69 PolarHBondContact O-N 2.79Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.04Å; L69-T72 PolarHBondContact O-N 3.06Å; L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.33Å; L69-I73 PolarHBondContact O-N 2.9Å
70N91.3Very high86Confident100 Ų100107.9 Ų107.954%0.53554%0.541SS..Hα-helixtrans-62.8-39.2178.7-79.3-42.4000112.5E66 A67 K74E66-N70 WeakPolarHBondContact O-CB 3.42Å; E66-N70 PolarHBondContact O-N 3.37Å; E66-N70 PolarHBondContact O-ND2 2.86Å; A67-N70 PolarHBondContact O-N 2.94Å; N70-K74 VanDerWaalsContact O-CB 3.3Å; N70-K74 WeakPolarHBondContact O-CB 3.31Å; N70-K74 PolarHBondContact O-N 3.34Å
71S91.1Very high85.4Confident71 Ų71104 Ų10450%0.49753%0.532SS..Hα-helixtrans-62.3-43.5174.1-1780000111.8A67 E68 L69 K74 T75A67-S71 VanDerWaalsContact O-CB 3.23Å; A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 2.82Å; E68-S71 PolarHBondContact O-N 2.77Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.04Å; S71-K74 PolarHBondContact O-N 3.26Å; S71-T75 WeakPolarHBondContact O-CB 3.31Å; S71-T75 PolarHBondContact O-N 3.49Å; S71-T75 PolarHBondContact O-OG1 2.99Å
72T90.5Very high83.9Confident70 Ų70102.8 Ų102.843%0.42954%0.538SS..Hα-helixtrans-65.5-47.2179.7-56.70000111.2E68 L69 K74 T75 M76E68-T72 WeakPolarHBondContact O-CB 3.48Å; E68-T72 PolarHBondContact O-N 3.28Å; E68-T72 PolarHBondContact O-OG1 2.75Å; L69-T72 PolarHBondContact O-N 3.06Å; T72-K74 VanDerWaalsContact C-N 3.34Å; T72-K74 PolarHBondContact O-N 3.23Å; T72-T75 WeakPolarHBondContact O-CB 3.4Å; T72-T75 PolarHBondContact O-N 3.46Å; T72-M76 HydrophobicContact CG2-CE 3.57Å; T72-M76 WeakPolarHBondContact O-CG 3.34Å; T72-M76 PolarHBondContact O-N 3.2Å
73I90.9Very high82.2Confident84 Ų84104 Ų10443%0.43155%0.545SS..Hα-helixtrans-58.5-48.5177.2-68169.7000110L69 T75 M76 E77L69-I73 VanDerWaalsContact O-CG1 3.28Å; L69-I73 WeakPolarHBondContact O-CG1 3.33Å; L69-I73 PolarHBondContact O-N 2.9Å; I73-T75 VanDerWaalsContact C-N 3.3Å; I73-T75 PolarHBondContact O-N 2.93Å; I73-M76 WeakPolarHBondContact O-CB 3.45Å; I73-M76 PolarHBondContact O-N 3.44Å; I73-E77 HydrophobicContact CG2-CG 4.34Å; I73-E77 WeakPolarHBondContact O-CG 3.41Å; I73-E77 PolarHBondContact O-N 3.17Å
74K91.3Very high80.5Confident130 Ų130101.1 Ų101.157%0.56555%0.551SS**Hα-helixtrans-60.1-39.2178.2-169.4174.5-177.4177.70112.7N70 S71 T72 M76 E77 D78N70-K74 VanDerWaalsContact O-CB 3.3Å; N70-K74 WeakPolarHBondContact O-CB 3.31Å; N70-K74 PolarHBondContact O-N 3.34Å; S71-K74 PolarHBondContact O-N 3.26Å; T72-K74 VanDerWaalsContact C-N 3.34Å; T72-K74 PolarHBondContact O-N 3.23Å; K74-M76 VanDerWaalsContact C-N 3.32Å; K74-M76 PolarHBondContact O-N 3.5Å; K74-E77 PolarHBondContact O-N 3.31Å; K74-D78 WeakPolarHBondContact O-CB 3.38Å; K74-D78 PolarHBondContact O-N 2.91Å
75T88.9Confident78.3Confident72 Ų72102 Ų10244%0.44256%0.564SS.*Hα-helixtrans-64.5-38175.9-55.20000111.9S71 T72 I73 K79S71-T75 WeakPolarHBondContact O-CB 3.31Å; S71-T75 PolarHBondContact O-N 3.49Å; S71-T75 PolarHBondContact O-OG1 2.99Å; T72-T75 WeakPolarHBondContact O-CB 3.4Å; T72-T75 PolarHBondContact O-N 3.46Å; I73-T75 VanDerWaalsContact C-N 3.3Å; I73-T75 PolarHBondContact O-N 2.93Å; T75-K79 WeakPolarHBondContact O-CB 3.17Å; T75-K79 WeakPolarHBondContact O-CG 3.29Å; T75-K79 PolarHBondContact O-N 3.37Å; T75-K79 VanDerWaalsContact O-N 3.1Å
76M81.3Confident75.7Confident114 Ų114101.9 Ų101.956%0.56259%0.585SS**Hα-helixtrans-68.9-42.7174.7-63.5-160.5-14200111.5T72 I73 K74 K79 L80T72-M76 HydrophobicContact CG2-CE 3.57Å; T72-M76 WeakPolarHBondContact O-CG 3.34Å; T72-M76 PolarHBondContact O-N 3.2Å; I73-M76 WeakPolarHBondContact O-CB 3.45Å; I73-M76 PolarHBondContact O-N 3.44Å; K74-M76 VanDerWaalsContact C-N 3.32Å; K74-M76 PolarHBondContact O-N 3.5Å; M76-K79 PolarHBondContact O-N 2.77Å; M76-L80 VanDerWaalsContact O-CG 3.3Å; M76-L80 WeakPolarHBondContact O-CG 3.4Å; M76-L80 PolarHBondContact O-N 3.1Å
77E83.6Confident72.8Confident111 Ų11199.7 Ų99.752%0.51960%0.597SS.*Hα-helixtrans-62.8-40.8176.7-71.5-179.8162.200112.5I73 K74 L80 S81I73-E77 HydrophobicContact CG2-CG 4.34Å; I73-E77 WeakPolarHBondContact O-CG 3.41Å; I73-E77 PolarHBondContact O-N 3.17Å; K74-E77 PolarHBondContact O-N 3.31Å; E77-L80 PolarHBondContact O-N 2.94Å; E77-S81 VanDerWaalsContact O-CB 3.29Å; E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.31Å; E77-S81 PolarHBondContact O-OG 3.4Å
78D76.2Confident70.2Confident95 Ų95102.5 Ų102.551%0.50861%0.614SS.*Hα-helixtrans-66.9-38.4175.8-76-23.3000111.4K74 S81 S82K74-D78 WeakPolarHBondContact O-CB 3.38Å; K74-D78 PolarHBondContact O-N 2.91Å; D78-S81 PolarHBondContact O-N 2.9Å; D78-S82 WeakPolarHBondContact O-CB 3.49Å; D78-S82 PolarHBondContact O-N 3.39Å
79K80.8Confident67.5Low147 Ų147102.5 Ų102.564%0.63963%0.627SS**Hα-helixtrans-64.1-40.9172.9-87.1178.8174.6-177.50112.4T75 M76 M83T75-K79 WeakPolarHBondContact O-CB 3.17Å; T75-K79 WeakPolarHBondContact O-CG 3.29Å; T75-K79 PolarHBondContact O-N 3.37Å; T75-K79 VanDerWaalsContact O-N 3.1Å; M76-K79 PolarHBondContact O-N 2.77Å; K79-M83 PolarHBondContact O-N 3.21Å
80L67.3Low64.6Low126 Ų126102.6 Ų102.666%0.6664%0.642SS**Hα-helixtrans-68.7-38.3176.6-70.7170000111.4M76 E77 M83M76-L80 VanDerWaalsContact O-CG 3.3Å; M76-L80 WeakPolarHBondContact O-CG 3.4Å; M76-L80 PolarHBondContact O-N 3.1Å; E77-L80 PolarHBondContact O-N 2.94Å; L80-M83 PolarHBondContact O-N 3.37Å
81S62.2Low62.2Low84 Ų84105.5 Ų105.559%0.58766%0.663SS**Hα-helixtrans-71.7-36.9177.9-59.40000112.4E77 D78 M83 G84E77-S81 VanDerWaalsContact O-CB 3.29Å; E77-S81 WeakPolarHBondContact O-CB 3.49Å; E77-S81 PolarHBondContact O-N 3.31Å; E77-S81 PolarHBondContact O-OG 3.4Å; D78-S81 PolarHBondContact O-N 2.9Å; S81-M83 VanDerWaalsContact C-N 3.26Å; S81-M83 PolarHBondContact O-N 2.98Å; S81-G84 PolarHBondContact O-N 2.94Å
82S51.6Low59.5Low93 Ų93105 Ų10565%0.6567%0.669SS**Hα-helixtrans-68.7-21.6175.9-178.80000113.3D78 G84D78-S82 WeakPolarHBondContact O-CB 3.49Å; D78-S82 PolarHBondContact O-N 3.39Å; S82-G84 VanDerWaalsContact C-N 3.26Å; S82-G84 PolarHBondContact O-N 3.14Å
83M46.3Very low57.2Low157 Ų157109.6 Ų109.677%0.77369%0.691SS**THydrogen-bonded Turntrans-78.8-9.9175.8-137.4106.867.600112.8K79 L80 S81K79-M83 PolarHBondContact O-N 3.21Å; L80-M83 PolarHBondContact O-N 3.37Å; S81-M83 VanDerWaalsContact C-N 3.26Å; S81-M83 PolarHBondContact O-N 2.98Å
84G52.2Low54.5Low63 Ų63111.9 Ų111.965%0.64971%0.708SS**THydrogen-bonded Turntrans-87.2-5.7-17600000116S81 S82S81-G84 PolarHBondContact O-N 2.94Å; S82-G84 VanDerWaalsContact C-N 3.26Å; S82-G84 PolarHBondContact O-N 3.14Å
85T43.4Very low52Low128 Ų128108.4 Ų108.479%0.78571%0.709SS**SBendtrans-142.883.1-174.647.90000113.3
86G34.8Very low49.5Very low85 Ų85108.2 Ų108.288%0.87672%0.722SS**  trans142.994.4157.100000116.1
87G30.2Very low48Very low84 Ų84108.9 Ų108.987%0.86673%0.732SS**  trans177.780.916700000113.3
88S37.3Very low46.8Very low119 Ų119108.8 Ų108.883%0.83274%0.739SS**  trans-78.1140169.7-85.60000112.3
89S34.6Very low46.2Very low121 Ų121106.2 Ų106.285%0.84673%0.731SS**  trans75.791147.9-60.80000119.5
90A30.7Very low46Very low101 Ų101106 Ų10684%0.83573%0.73SS**  -151.9132.3127.600000109.4G92A90-G92 PolarHBondContact O-N 3.44Å
91V41.6Very low46.7Very low161 Ų161105.4 Ų105.498%0.97672%0.72SS**  trans-63.4116.9-174.9175.40000110.7
92G34.9Very low47.6Very low59 Ų59105.5 Ų105.561%0.60871%0.708SS**  trans-158.3107.7167.200000108.2A90 V94A90-G92 PolarHBondContact O-N 3.44Å; G92-V94 PolarHBondContact O-N 2.89Å
93N42Very low49Very low167 Ų167106.1 Ų106.189%0.89370%0.704SS**  trans-60.488.8-176.3-176.754.7000111.7
94V34.4Very low49.9Very low133 Ų133102.1 Ų102.181%0.80669%0.686SS**  trans-99.7108.5168-174.20000107.1G92 G96G92-V94 PolarHBondContact O-N 2.89Å; V94-G96 PolarHBondContact O-N 3.27Å
95G37.5Very low50.7Low56 Ų56104.8 Ų104.858%0.57768%0.684SS**  trans-54.3124.2-179.900000110.6V97G95-V97 PolarHBondContact O-N 3.44Å
96G36.6Very low52Low69 Ų69106.6 Ų106.671%0.71168%0.677SS**  trans-53.6124.717300000109.7V94 T98V94-G96 PolarHBondContact O-N 3.27Å; G96-T98 VanDerWaalsContact C-N 3.27Å; G96-T98 PolarHBondContact O-N 2.69Å
97V50.8Low53.4Low128 Ų128107 Ų10778%0.77666%0.655SS**  trans-6891.9173.3-175.20000106.8G95 A99G95-V97 PolarHBondContact O-N 3.44Å; V97-A99 PolarHBondContact O-N 2.86Å
98T57.9Low54.8Low109 Ų109106.8 Ų106.867%0.66963%0.634SS**  trans-62125.3165.747.70000106.9G96 K100G96-T98 VanDerWaalsContact C-N 3.27Å; G96-T98 PolarHBondContact O-N 2.69Å; T98-K100 PolarHBondContact O-N 2.88Å
99A62.4Low55.9Low40 Ų40107 Ų10733%0.33164%0.636SS.*  trans-55.6109.9175.700000108.4V97 Y101V97-A99 PolarHBondContact O-N 2.86Å; A99-Y101 HydrophobicContact CB-CE2 4.03Å; A99-Y101 WeakPolarHBondContact O-CD2 3.47Å; A99-Y101 VanDerWaalsContact O-CE2 3.29Å; A99-Y101 WeakPolarHBondContact O-CE2 3.31Å
100K77.2Confident56.9Low144 Ų144108.2 Ų108.263%0.62663%0.633SS**  trans-77.9138.1178-59.1-175.5-178.91720107.9T98 I131T98-K100 PolarHBondContact O-N 2.88Å; K100-I131 HydrophobicContact CB-CB 4.25Å; K100-I131 HydrophobicContact CB-CD1 3.76Å; K100-I131 HydrophobicContact CB-CG1 4.46Å; K100-I131 PolarHBondContact O-N 2.93Å
101Y82.9Confident57.9Low112 Ų112106.8 Ų106.844%0.43962%0.617SS.*BIsolated β-bridgetrans-114.9149.2176.6-67.3-96.1000108.7A99 Q128 R129 R130 I131A99-Y101 HydrophobicContact CB-CE2 4.03Å; A99-Y101 WeakPolarHBondContact O-CD2 3.47Å; A99-Y101 VanDerWaalsContact O-CE2 3.29Å; A99-Y101 WeakPolarHBondContact O-CE2 3.31Å; Y101-Q128 VanDerWaalsContact CB-OE1 3.3Å; Y101-Q128 HydrophobicContact CD1-CB 3.56Å; Y101-Q128 HydrophobicContact CE1-CB 4.02Å; Y101-Q128 HydrophobicContact CG-CB 4.24Å; Y101-R129 WeakPolarHBondContact CA-O 3.22Å; Y101-R130 HydrophobicContact CD1-CB 4.4Å; Y101-R130 HydrophobicContact CD1-CG 3.69Å; Y101-R130 HydrophobicContact CE1-CB 4.35Å; Y101-R130 HydrophobicContact CE1-CG 3.2Å; Y101-R130 HydrophobicContact CE2-CG 4.48Å; Y101-I131 WeakPolarHBondContact O-CD1 3.33Å
102Y81.1Confident58.4Low86 Ų86107.7 Ų107.734%0.33761%0.61SS.*  trans-65.8146.5173.1-74.2-80.5000110.4Y106 R129 I131Y102-Y106 HydrophobicContact CD1-CD1 4.18Å; Y102-Y106 HydrophobicContact CD1-CE1 4.43Å; Y102-R129 HydrophobicContact CD2-CB 4.16Å; Y102-R129 PolarHBondContact N-O 2.82Å; Y102-I131 HydrophobicContact CD1-CD1 4.39Å; Y102-I131 HydrophobicContact CD1-CG1 3.94Å; Y102-I131 HydrophobicContact CD2-CG1 3.6Å; Y102-I131 HydrophobicContact CE1-CG1 3.91Å; Y102-I131 HydrophobicContact CE2-CB 4.15Å; Y102-I131 HydrophobicContact CE2-CG1 3.57Å; Y102-I131 HydrophobicContact CG-CD1 4.47Å; Y102-I131 HydrophobicContact CG-CG1 3.79Å
103D79.1Confident59.1Low106 Ų106111.5 Ų111.557%0.56762%0.617SS**  trans-61141.5176.2-169.915.9000110.8I105 Y106D103-I105 PolarHBondContact O-N 2.87Å; D103-Y106 WeakPolarHBondContact O-CB 3.46Å; D103-Y106 PolarHBondContact O-N 2.99Å
104D67.1Low59.6Low73 Ų73112.1 Ų112.139%0.3961%0.614SS.*THydrogen-bonded Turntrans-63-17.5-175.7-80.6-48.7000112.9Q128D104-Q128 PolarHBondContact OD1-NE2 3.18Å; D104-Q128 PolarHBondContact OD2-NE2 3.14Å
105I68.6Low60.2Low120 Ų120112.4 Ų112.462%0.61561%0.611SS**THydrogen-bonded Turntrans-81.4-29.9179.8-53.1177.1000111.3D103 F107 D108D103-I105 PolarHBondContact O-N 2.87Å; I105-F107 PolarHBondContact O-N 3.15Å; I105-D108 PolarHBondContact O-N 3.48Å
106Y70.4Confident60.3Low165 Ų165118.8 Ų118.865%0.64762%0.623SS**THydrogen-bonded Turntrans-66.1-24.7-173.3-176.6-104.2000113.5Y102 D103Y102-Y106 HydrophobicContact CD1-CD1 4.18Å; Y102-Y106 HydrophobicContact CD1-CE1 4.43Å; D103-Y106 WeakPolarHBondContact O-CB 3.46Å; D103-Y106 PolarHBondContact O-N 2.99Å
107F65.1Low60.7Low93 Ų93120.1 Ų120.141%0.40863%0.628SS.*THydrogen-bonded Turntrans-108.78.2178.9-83.5-76.7000114.2I105 S109I105-F107 PolarHBondContact O-N 3.15Å; F107-S109 VanDerWaalsContact C-N 3.29Å; F107-S109 PolarHBondContact O-N 2.93Å
108D58.9Low60.4Low80 Ų80118.5 Ų118.543%0.42863%0.627SS.*THydrogen-bonded Turntrans-81.3-5.1-174.5-140.614.9000113.9I105 K126I105-D108 PolarHBondContact O-N 3.48Å; D108-K126 IonicContact OD1-NZ 2.69Å; D108-K126 PolarHBondContact OD1-NZ 2.95Å; D108-K126 IonicContact OD2-NZ 3.79Å; D108-K126 PolarHBondContact OD2-NZ 3.03Å; D108-K126 VanDerWaalsContact OD2-NZ 3.12Å
109S59.9Low59.5Low123 Ų123122 Ų12286%0.8664%0.636SS**THydrogen-bonded Turntrans-91.7-5.1-178.2-75.20000115.3F107F107-S109 VanDerWaalsContact C-N 3.29Å; F107-S109 PolarHBondContact O-N 2.93Å
110D54.7Low58.6Low148 Ų148126.2 Ų126.279%0.79166%0.657SS**SBendtrans-107.810.6179.5-16130.9000113
111S53.2Low57Low71 Ų71125.2 Ų125.250%0.49766%0.664SS.*  trans-97.879.8167.269.80000109.9D113S111-D113 PolarHBondContact O-N 2.96Å
112E52.4Low55.1Low180 Ų180129.7 Ų129.784%0.84169%0.685SS**  trans-65.982.2159.4-63.2-174.1145.200108.7
113D49.2Very low53.5Low139 Ų139135.7 Ų135.774%0.74371%0.713SS**  trans-95.273162.9-84.8-39.9000108.1S111 D115S111-D113 PolarHBondContact O-N 2.96Å; D113-D115 PolarHBondContact O-N 2.96Å
114E52.3Low52.4Low179 Ų179139.5 Ų139.584%0.83673%0.725SS**  trans-74.793.3152.5-71.3-158.4155.900107.8
115D45.9Very low52Low140 Ų140145.6 Ų145.675%0.74975%0.748SS**  155.8138.3126.1-89.1-35.4000115.9D113D113-D115 PolarHBondContact O-N 2.96Å
116K39.9Very low51.8Low189 Ų189145.1 Ų145.182%0.82274%0.741SS**  trans79.593.6154.5-58.1-124.1178.3170.60119.9
117A46Very low51.6Low98 Ų98146.7 Ų146.781%0.8175%0.751SS**  24124.9126.800000120.2
118A43.5Very low51.8Low93 Ų93146.4 Ų146.477%0.76975%0.751SS**  trans87.9123.4146.200000119.1
119Q39.7Very low52.6Low183 Ų183149.5 Ų149.586%0.85576%0.757SS**  trans92.393.6157.4-52.7-168.24.200118.8
120V44.4Very low53.6Low128 Ų128150.9 Ų150.978%0.77674%0.744SS**  47.1115.9126.3-171.70000118.1
121T42.5Very low54.9Low124 Ų124146.7 Ų146.776%0.76172%0.72SS**  trans75.269.5151.5610000119.3
122K42.3Very low56.1Low205 Ų205145.1 Ų145.189%0.89171%0.709SS**  trans-139.494.8137.1-66.7-170.3-177.4171.10109.1K124K122-K124 VanDerWaalsContact C-N 3.25Å; K122-K124 PolarHBondContact O-N 3.38Å
123K48.7Very low57.3Low213 Ų213139.4 Ų139.493%0.92669%0.686SS**  trans-61.793.5164.8-79.7-175.8174.3179.70107.1K125K123-K125 PolarHBondContact O-N 3.44Å
124K56.1Low58.6Low186 Ų186135.8 Ų135.881%0.80967%0.667SS**  trans-58.9107171.4-154176.6-176.7-179.50105.2K122 K126K122-K124 VanDerWaalsContact C-N 3.25Å; K122-K124 PolarHBondContact O-N 3.38Å; K124-K126 PolarHBondContact O-N 2.8Å
125K58.9Low59.5Low201 Ų201135 Ų13587%0.87467%0.668SS**  trans-57.4104.5177.6-90.1-179.4170.9178.20107.1K123 K127K123-K125 PolarHBondContact O-N 3.44Å; K125-K127 PolarHBondContact O-N 3.14Å
126K62.8Low60.9Low110 Ų110134.5 Ų134.548%0.47866%0.661SS.*  trans-56.6120.8170.4-73.5-174.1171.9-172.40106.6D108 K124 Q128D108-K126 IonicContact OD1-NZ 2.69Å; D108-K126 PolarHBondContact OD1-NZ 2.95Å; D108-K126 IonicContact OD2-NZ 3.79Å; D108-K126 PolarHBondContact OD2-NZ 3.03Å; D108-K126 VanDerWaalsContact OD2-NZ 3.12Å; K124-K126 PolarHBondContact O-N 2.8Å; K126-Q128 PolarHBondContact O-N 3.38Å
127K66.6Low62.9Low197 Ų197128 Ų12886%0.85764%0.635SS**  trans-69.4104.4175.9-74.3-178.4179.3179.60106.5K125 R129K125-K127 PolarHBondContact O-N 3.14Å; K127-R129 PolarHBondContact O-N 3.46Å
128Q70Confident64.6Low87 Ų87132.3 Ų132.341%0.40764%0.644SS.*PPolyproline II helixtrans-60.1116.2175.5-75-93-28.100109Y101 D104 K126Y101-Q128 VanDerWaalsContact CB-OE1 3.3Å; Y101-Q128 HydrophobicContact CD1-CB 3.56Å; Y101-Q128 HydrophobicContact CE1-CB 4.02Å; Y101-Q128 HydrophobicContact CG-CB 4.24Å; D104-Q128 PolarHBondContact OD1-NE2 3.18Å; D104-Q128 PolarHBondContact OD2-NE2 3.14Å; K126-Q128 PolarHBondContact O-N 3.38Å
129R75.8Confident66.5Low146 Ų146135.3 Ų135.355%0.55164%0.636SS**PPolyproline II helixtrans-82.3123.1178.9-64-179.377162.24108.4Y101 Y102 K127Y101-R129 WeakPolarHBondContact CA-O 3.22Å; Y102-R129 HydrophobicContact CD2-CB 4.16Å; Y102-R129 PolarHBondContact N-O 2.82Å; K127-R129 PolarHBondContact O-N 3.46Å
130R81.7Confident68.6Low152 Ų152129.1 Ų129.157%0.57461%0.609SS**BIsolated β-bridgetrans-67.6139.1174.3-69.2-179.867.9-164.4-1.9109Y101 P132Y101-R130 HydrophobicContact CD1-CB 4.4Å; Y101-R130 HydrophobicContact CD1-CG 3.69Å; Y101-R130 HydrophobicContact CE1-CB 4.35Å; Y101-R130 HydrophobicContact CE1-CG 3.2Å; Y101-R130 HydrophobicContact CE2-CG 4.48Å; R130-P132 WeakPolarHBondContact O-CD 3.41Å
131I80.4Confident70.7Confident59 Ų59125.7 Ų125.730%0.30359%0.589SS.*PPolyproline II helixtrans-73124.1168.5-66.6163.8000106.4K100 Y101 Y102 T133K100-I131 HydrophobicContact CB-CB 4.25Å; K100-I131 HydrophobicContact CB-CD1 3.76Å; K100-I131 HydrophobicContact CB-CG1 4.46Å; K100-I131 PolarHBondContact O-N 2.93Å; Y101-I131 WeakPolarHBondContact O-CD1 3.33Å; Y102-I131 HydrophobicContact CD1-CD1 4.39Å; Y102-I131 HydrophobicContact CD1-CG1 3.94Å; Y102-I131 HydrophobicContact CD2-CG1 3.6Å; Y102-I131 HydrophobicContact CE1-CG1 3.91Å; Y102-I131 HydrophobicContact CE2-CB 4.15Å; Y102-I131 HydrophobicContact CE2-CG1 3.57Å; Y102-I131 HydrophobicContact CG-CD1 4.47Å; Y102-I131 HydrophobicContact CG-CG1 3.79Å; I131-T133 PolarHBondContact O-N 3.32Å
132P78.6Confident72.9Confident39 Ų39125.2 Ų125.225%0.25358%0.579SS.*PPolyproline II helixtrans-51.9135.2175.6-28.136.1000110.8R130 E136 L137R130-P132 WeakPolarHBondContact O-CD 3.41Å; P132-E136 WeakPolarHBondContact CA-OE2 3.5Å; P132-E136 HydrophobicContact CB-CB 3.96Å; P132-E136 HydrophobicContact CB-CG 3.99Å; P132-L137 HydrophobicContact CB-CD2 3.98Å
133T78.8Confident75.1Confident60 Ų60120.7 Ų120.737%0.36856%0.559SS.*PPolyproline II helixtrans-69.5161.1171.244.40000109.8I131 D135 E136 L137I131-T133 PolarHBondContact O-N 3.32Å; T133-D135 PolarHBondContact O-N 3.28Å; T133-D135 VanDerWaalsContact O-N 3.15Å; T133-E136 WeakPolarHBondContact O-CA 3.49Å; T133-E136 WeakPolarHBondContact O-CB 3.22Å; T133-E136 PolarHBondContact O-N 3.3Å; T133-L137 PolarHBondContact O-N 3.42Å
134N74.9Confident77Confident63 Ų63116.4 Ų116.434%0.33755%0.546SS..G310 helixtrans-50.8-41.9178.6-169.8-16.5000111.3E136 L137 P141N134-E136 PolarHBondContact O-N 3.45Å; N134-E136 VanDerWaalsContact O-N 3.09Å; N134-L137 WeakPolarHBondContact O-CB 3.47Å; N134-L137 PolarHBondContact O-N 2.89Å; N134-P141 WeakPolarHBondContact ND2-CG 3.49Å; N134-P141 WeakPolarHBondContact OD1-CD 3.1Å
135D71.1Confident78.8Confident161 Ų161113 Ų11386%0.86154%0.537SS*.G310 helixtrans-65.4-12177.3-52.5-31.9000115.1T133T133-D135 PolarHBondContact O-N 3.28Å; T133-D135 VanDerWaalsContact O-N 3.15Å
136E75.9Confident80.3Confident130 Ų130110.5 Ų110.561%0.60752%0.522SS*.G310 helixtrans-100.8-10.8176-169.3-179.917600111.6P132 T133 N134P132-E136 WeakPolarHBondContact CA-OE2 3.5Å; P132-E136 HydrophobicContact CB-CB 3.96Å; P132-E136 HydrophobicContact CB-CG 3.99Å; T133-E136 WeakPolarHBondContact O-CA 3.49Å; T133-E136 WeakPolarHBondContact O-CB 3.22Å; T133-E136 PolarHBondContact O-N 3.3Å; N134-E136 PolarHBondContact O-N 3.45Å; N134-E136 VanDerWaalsContact O-N 3.09Å
137L82.5Confident81.7Confident53 Ų53109.3 Ų109.328%0.27752%0.521SS..  trans-78.2131.3176.2-62.1175.1000109.9P132 T133 N134 Y139 P141P132-L137 HydrophobicContact CB-CD2 3.98Å; T133-L137 PolarHBondContact O-N 3.42Å; N134-L137 WeakPolarHBondContact O-CB 3.47Å; N134-L137 PolarHBondContact O-N 2.89Å; L137-Y139 HydrophobicContact CB-CD1 4.36Å; L137-Y139 HydrophobicContact CB-CE1 4.4Å; L137-Y139 WeakPolarHBondContact CB-O 3.4Å; L137-Y139 HydrophobicContact CD1-CE2 4.43Å; L137-Y139 HydrophobicContact CD2-CE1 4.1Å; L137-Y139 PolarHBondContact O-N 3.49Å; L137-Y139 VanDerWaalsContact O-N 3.09Å; L137-P141 HydrophobicContact CD1-CG 4.04Å
138L81.9Confident82.8Confident189 Ų189104.6 Ų104.699%0.9950%0.502SS*.SBendtrans-67.9-0.3170.4-74145.5000113
139Y83Confident83.8Confident155 Ų155102.9 Ų102.961%0.60850%0.502SS*.SBendtrans-137.3147.4175.669.4-86000109.8L137 P141L137-Y139 HydrophobicContact CB-CD1 4.36Å; L137-Y139 HydrophobicContact CB-CE1 4.4Å; L137-Y139 WeakPolarHBondContact CB-O 3.4Å; L137-Y139 HydrophobicContact CD1-CE2 4.43Å; L137-Y139 HydrophobicContact CD2-CE1 4.1Å; L137-Y139 PolarHBondContact O-N 3.49Å; L137-Y139 VanDerWaalsContact O-N 3.09Å; Y139-P141 HydrophobicContact CE2-CB 4.18Å; Y139-P141 WeakPolarHBondContact O-CD 3.3Å
140D84.8Confident84.4Confident54 Ų54103.4 Ų103.429%0.28951%0.505SS..  trans-87.4111.3175.6174.17.1000109.7E142 K143 R146D140-E142 PolarHBondContact O-N 2.81Å; D140-E142 WeakPolarHBondContact OD1-CB 3.42Å; D140-E142 PolarHBondContact OD1-N 2.93Å; D140-K143 HydrophobicContact CB-CB 4.01Å; D140-K143 WeakPolarHBondContact O-CB 3.17Å; D140-K143 PolarHBondContact O-N 2.87Å; D140-K143 PolarHBondContact OD1-N 2.99Å; D140-R146 IonicContact OD2-CZ 3.64Å; D140-R146 IonicContact OD2-NE 2.69Å; D140-R146 IonicContact OD2-NH2 3.45Å; D140-R146 PolarHBondContact OD2-NH2 3.27Å
141P87.4Confident84.8Confident55 Ų5598 Ų9836%0.35749%0.488SS..THydrogen-bonded Turntrans-67.9-14.9-18030.4-35.2000113.4N134 L137 Y139N134-P141 WeakPolarHBondContact ND2-CG 3.49Å; N134-P141 WeakPolarHBondContact OD1-CD 3.1Å; L137-P141 HydrophobicContact CD1-CG 4.04Å; Y139-P141 HydrophobicContact CE2-CB 4.18Å; Y139-P141 WeakPolarHBondContact O-CD 3.3Å
142E88.3Confident85.2Confident114 Ų11496.5 Ų96.553%0.53348%0.481SS..THydrogen-bonded Turntrans-96.5-9.3178.7-65.3-177.4-169.200113.1D140 D144 N145 R146D140-E142 PolarHBondContact O-N 2.81Å; D140-E142 WeakPolarHBondContact OD1-CB 3.42Å; D140-E142 PolarHBondContact OD1-N 2.93Å; E142-D144 PolarHBondContact O-N 2.96Å; E142-N145 WeakPolarHBondContact O-CB 3.45Å; E142-N145 PolarHBondContact O-N 2.69Å; E142-N145 VanDerWaalsContact O-N 3.16Å; E142-R146 WeakPolarHBondContact O-CG 3.29Å; E142-R146 PolarHBondContact O-N 3.3Å
143K88.6Confident85.7Confident110 Ų11097.1 Ų97.148%0.47849%0.489SS..Hα-helixtrans-57.6-48.7-177.3-172.2176.1178.8-177.50112.1D140 N145 R146 D147D140-K143 HydrophobicContact CB-CB 4.01Å; D140-K143 WeakPolarHBondContact O-CB 3.17Å; D140-K143 PolarHBondContact O-N 2.87Å; D140-K143 PolarHBondContact OD1-N 2.99Å; K143-N145 VanDerWaalsContact C-N 3.27Å; K143-N145 PolarHBondContact O-N 2.87Å; K143-R146 WeakPolarHBondContact O-CB 3.35Å; K143-R146 PolarHBondContact O-N 2.88Å; K143-R146 VanDerWaalsContact O-N 3.09Å; K143-D147 PolarHBondContact O-N 3.48Å
144D89.9Confident86.1Confident124 Ų12497.7 Ų97.766%0.66349%0.488SS*.Hα-helixtrans-60.8-38179.1-64.8-8.6000111.7E142 D147 Q148E142-D144 PolarHBondContact O-N 2.96Å; D144-D147 PolarHBondContact O-N 3.21Å; D144-Q148 VanDerWaalsContact O-CB 3.31Å; D144-Q148 WeakPolarHBondContact O-CB 3.18Å; D144-Q148 PolarHBondContact O-N 3.16Å
145N91.9Very high86.7Confident113 Ų11395.9 Ų95.960%0.60448%0.476SS*.Hα-helixtrans-66.7-39.7177-66.8-42.7000111.7E142 K143 A149E142-N145 WeakPolarHBondContact O-CB 3.45Å; E142-N145 PolarHBondContact O-N 2.69Å; E142-N145 VanDerWaalsContact O-N 3.16Å; K143-N145 VanDerWaalsContact C-N 3.27Å; K143-N145 PolarHBondContact O-N 2.87Å; N145-A149 WeakPolarHBondContact O-CB 3.5Å; N145-A149 PolarHBondContact O-N 3.42Å
146R92.3Very high87.4Confident150 Ų15092 Ų9257%0.56645%0.449SS*.Hα-helixtrans-65.8-43.9175.6-70.2-168.9-70.6146.6-8111.2D140 E142 K143 A149 W150D140-R146 IonicContact OD2-CZ 3.64Å; D140-R146 IonicContact OD2-NE 2.69Å; D140-R146 IonicContact OD2-NH2 3.45Å; D140-R146 PolarHBondContact OD2-NH2 3.27Å; E142-R146 WeakPolarHBondContact O-CG 3.29Å; E142-R146 PolarHBondContact O-N 3.3Å; K143-R146 WeakPolarHBondContact O-CB 3.35Å; K143-R146 PolarHBondContact O-N 2.88Å; K143-R146 VanDerWaalsContact O-N 3.09Å; R146-A149 PolarHBondContact O-N 3.09Å; R146-W150 PolarHBondContact O-N 3.44Å
147D91Very high87.7Confident84 Ų8487.3 Ų87.345%0.44944%0.437SS..Hα-helixtrans-65.2-43.9179.3-69.1-10.4000110.8K143 D144 A149 W150 V151K143-D147 PolarHBondContact O-N 3.48Å; D144-D147 PolarHBondContact O-N 3.21Å; D147-A149 PolarHBondContact O-N 3.26Å; D147-W150 WeakPolarHBondContact O-CB 3.49Å; D147-W150 PolarHBondContact O-N 3.31Å; D147-V151 WeakPolarHBondContact O-CG2 3.23Å; D147-V151 PolarHBondContact O-N 2.86Å
148Q89.6Confident87.7Confident99 Ų9986.7 Ų86.746%0.46343%0.431SS..Hα-helixtrans-60-44.6173.7-174.862.956.500111.8D144 W150 V151 D152D144-Q148 VanDerWaalsContact O-CB 3.31Å; D144-Q148 WeakPolarHBondContact O-CB 3.18Å; D144-Q148 PolarHBondContact O-N 3.16Å; Q148-W150 VanDerWaalsContact C-N 3.27Å; Q148-W150 PolarHBondContact O-N 3.49Å; Q148-V151 PolarHBondContact O-N 3.28Å; Q148-D152 PolarHBondContact NE2-OD1 2.83Å; Q148-D152 WeakPolarHBondContact O-CB 3.34Å; Q148-D152 PolarHBondContact O-N 3.4Å
149A90.8Very high87.2Confident51 Ų5181.2 Ų81.242%0.42140%0.4SS..Hα-helixtrans-62.6-35.8178.200000112.2N145 R146 D147 A153N145-A149 WeakPolarHBondContact O-CB 3.5Å; N145-A149 PolarHBondContact O-N 3.42Å; R146-A149 PolarHBondContact O-N 3.09Å; D147-A149 PolarHBondContact O-N 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 3.38Å
150W90.1Very high86.4Confident157 Ų15776.7 Ų76.760%0.59540%0.395SS*.Hα-helixtrans-67.8-47.6175-178.491.7000111.9R146 D147 Q148 D152 A153 Q154R146-W150 PolarHBondContact O-N 3.44Å; D147-W150 WeakPolarHBondContact O-CB 3.49Å; D147-W150 PolarHBondContact O-N 3.31Å; Q148-W150 VanDerWaalsContact C-N 3.27Å; Q148-W150 PolarHBondContact O-N 3.49Å; W150-D152 VanDerWaalsContact C-N 3.3Å; W150-D152 PolarHBondContact O-N 2.86Å; W150-A153 WeakPolarHBondContact O-CB 3.41Å; W150-A153 PolarHBondContact O-N 3.24Å; W150-A153 VanDerWaalsContact O-N 3.14Å; W150-Q154 PolarHBondContact O-N 3.33Å
151V89.6Confident85.1Confident37 Ų3782.9 Ų82.922%0.22442%0.419CS..Hα-helixtrans-58.2-45.3175.3168.10000110.6D147 Q148 A153 Q154 R155 L191D147-V151 WeakPolarHBondContact O-CG2 3.23Å; D147-V151 PolarHBondContact O-N 2.86Å; Q148-V151 PolarHBondContact O-N 3.28Å; V151-A153 VanDerWaalsContact C-N 3.33Å; V151-A153 PolarHBondContact O-N 3.1Å; V151-Q154 PolarHBondContact O-N 2.92Å; V151-R155 HydrophobicContact CG1-CG 4.49Å; V151-R155 WeakPolarHBondContact O-CG 3.47Å; V151-R155 PolarHBondContact O-N 3.09Å; V151-L191 HydrophobicContact CG1-CD1 4.31Å
152D88.7Confident83.5Confident29 Ų2983.1 Ų83.116%0.15543%0.432CS..Hα-helixtrans-64.1-38177.5-71.6-5.7000112.2Q148 W150 R155 R156 V173Q148-D152 PolarHBondContact NE2-OD1 2.83Å; Q148-D152 WeakPolarHBondContact O-CB 3.34Å; Q148-D152 PolarHBondContact O-N 3.4Å; W150-D152 VanDerWaalsContact C-N 3.3Å; W150-D152 PolarHBondContact O-N 2.86Å; D152-R155 IonicContact OD1-CZ 3.12Å; D152-R155 IonicContact OD1-NE 2.68Å; D152-R155 IonicContact OD1-NH2 2.68Å; D152-R155 PolarHBondContact OD1-NH2 3.21Å; D152-R156 WeakPolarHBondContact O-CB 3.29Å; D152-R156 VanDerWaalsContact O-CG 3.25Å; D152-R156 WeakPolarHBondContact O-CG 3.4Å; D152-R156 PolarHBondContact O-N 3.09Å; D152-R156 PolarHBondContact O-NE 3.31Å; D152-V173 HydrophobicContact CB-CG2 4.07Å; D152-V173 VanDerWaalsContact OD1-CG2 3.31Å; D152-V173 WeakPolarHBondContact OD1-CG2 3.4Å
153A88.1Confident81.8Confident52 Ų5283.6 Ų83.643%0.4344%0.437SS..Hα-helixtrans-64.2-42.317500000111.4A149 W150 V151 R156 G157A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 3.38Å; W150-A153 WeakPolarHBondContact O-CB 3.41Å; W150-A153 PolarHBondContact O-N 3.24Å; W150-A153 VanDerWaalsContact O-N 3.14Å; V151-A153 VanDerWaalsContact C-N 3.33Å; V151-A153 PolarHBondContact O-N 3.1Å; A153-R156 PolarHBondContact O-N 2.84Å; A153-G157 PolarHBondContact O-N 3.32Å
154Q87.5Confident79.9Confident72 Ų7287.4 Ų87.434%0.33646%0.457SS..Hα-helixtrans-62.8-47.9176.2-171.973-44.400111.3W150 V151 R156 G157 Y158 L191W150-Q154 PolarHBondContact O-N 3.33Å; V151-Q154 PolarHBondContact O-N 2.92Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.83Å; Q154-G157 PolarHBondContact O-N 3.4Å; Q154-G157 VanDerWaalsContact O-N 3.1Å; Q154-Y158 HydrophobicContact CG-CE2 4.01Å; Q154-Y158 PolarHBondContact O-N 2.78Å; Q154-L191 HydrophobicContact CG-CD1 4.28Å
155R88.3Confident78.3Confident24 Ų2489 Ų899%0.09145%0.453CS..Hα-helixtrans-59.9-42.2174.8-69.9-169.5-65.3-176.80.6111.8V151 D152 G157 Y158 H159 V173 S176 L191 D192V151-R155 HydrophobicContact CG1-CG 4.49Å; V151-R155 WeakPolarHBondContact O-CG 3.47Å; V151-R155 PolarHBondContact O-N 3.09Å; D152-R155 IonicContact OD1-CZ 3.12Å; D152-R155 IonicContact OD1-NE 2.68Å; D152-R155 IonicContact OD1-NH2 2.68Å; D152-R155 PolarHBondContact OD1-NH2 3.21Å; R155-G157 VanDerWaalsContact C-N 3.29Å; R155-G157 PolarHBondContact O-N 2.91Å; R155-Y158 WeakPolarHBondContact O-CB 3.36Å; R155-Y158 PolarHBondContact O-N 2.95Å; R155-H159 PolarHBondContact O-CD2 2.87Å; R155-H159 PolarHBondContact O-N 2.71Å; R155-V173 HydrophobicContact CB-CG1 4.37Å; R155-V173 VanDerWaalsContact NH2-CG2 3.33Å; R155-S176 PolarHBondContact NH1-OG 3.15Å; R155-L191 HydrophobicContact CG-CB 4.33Å; R155-D192 HydrophobicContact CG-CB 4.32Å
156R86.1Confident76.2Confident79 Ų7989.9 Ų89.930%0.29847%0.466SS..Hα-helixtrans-59.7-38.5174.3-79.6-177.8-75.3-100.6-0.7112.4D152 A153 Q154 Y158 H159 A160 V173D152-R156 WeakPolarHBondContact O-CB 3.29Å; D152-R156 VanDerWaalsContact O-CG 3.25Å; D152-R156 WeakPolarHBondContact O-CG 3.4Å; D152-R156 PolarHBondContact O-N 3.09Å; D152-R156 PolarHBondContact O-NE 3.31Å; A153-R156 PolarHBondContact O-N 2.84Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.83Å; R156-Y158 VanDerWaalsContact C-N 3.26Å; R156-Y158 PolarHBondContact O-N 3.45Å; R156-H159 PolarHBondContact O-N 2.98Å; R156-A160 VanDerWaalsContact O-CB 3.26Å; R156-A160 WeakPolarHBondContact O-CB 3.28Å; R156-A160 PolarHBondContact O-N 3.31Å; R156-V173 HydrophobicContact CG-CG1 3.43Å; R156-V173 VanDerWaalsContact CG-CG1 3.43Å
157G82.4Confident74.1Confident33 Ų3391.4 Ų91.434%0.3448%0.479SS..Hα-helixtrans-57.4-39.2176.700000112.7A153 Q154 R155A153-G157 PolarHBondContact O-N 3.32Å; Q154-G157 PolarHBondContact O-N 3.4Å; Q154-G157 VanDerWaalsContact O-N 3.1Å; R155-G157 VanDerWaalsContact C-N 3.29Å; R155-G157 PolarHBondContact O-N 2.91Å
158Y80.6Confident72.4Confident39 Ų3992.5 Ų92.515%0.15348%0.481CS..Hα-helixtrans-66.5-42.6176.1-60.8-31.6000113Q154 R155 R156 F207 M209Q154-Y158 HydrophobicContact CG-CE2 4.01Å; Q154-Y158 PolarHBondContact O-N 2.78Å; R155-Y158 WeakPolarHBondContact O-CB 3.36Å; R155-Y158 PolarHBondContact O-N 2.95Å; R156-Y158 VanDerWaalsContact C-N 3.26Å; R156-Y158 PolarHBondContact O-N 3.45Å; Y158-F207 VanDerWaalsContact CB-CD2 3.47Å; Y158-F207 HydrophobicContact CD1-CB 3.86Å; Y158-F207 AromaticContact CD1-CD1 3.78Å; Y158-F207 HydrophobicContact CD1-CD1 3.78Å; Y158-F207 HydrophobicContact CD1-CE1 4.46Å; Y158-F207 AromaticContact CD1-CG 3.8Å; Y158-F207 HydrophobicContact CD1-CG 3.8Å; Y158-F207 HydrophobicContact CD2-CB 3.83Å; Y158-F207 HydrophobicContact CD2-CG 4.23Å; Y158-F207 HydrophobicContact CE1-CB 4.21Å; Y158-F207 HydrophobicContact CE2-CB 4.19Å; Y158-F207 HydrophobicContact CG-CB 3.68Å; Y158-F207 HydrophobicContact CG-CD1 4.04Å; Y158-F207 AromaticContact CG-CD2 3.97Å; Y158-F207 HydrophobicContact CG-CD2 3.97Å; Y158-F207 AromaticContact CG-CG 3.62Å; Y158-F207 HydrophobicContact CG-CG 3.62Å; Y158-F207 WeakPolarHBondContact O-CE2 3.49Å; Y158-F207 WeakPolarHBondContact O-CZ 3.41Å; Y158-M209 HydrophobicContact CE2-CE 4.41Å; Y158-M209 WeakPolarHBondContact OH-CE 3.47Å
159H72.7Confident70.6Confident75 Ų7597.1 Ų97.135%0.34750%0.5SS..Hα-helixtrans-78.4-17.9-179.9-68.7-69.4000114.2R155 R156 F161 D192R155-H159 PolarHBondContact O-CD2 2.87Å; R155-H159 PolarHBondContact O-N 2.71Å; R156-H159 PolarHBondContact O-N 2.98Å; H159-F161 VanDerWaalsContact C-N 3.28Å; H159-F161 PolarHBondContact O-N 3.46Å; H159-D192 IonicContact CD2-OD2 2.71Å; H159-D192 IonicContact CE1-OD2 3.82Å; H159-D192 PolarHBondContact CE1-OD2 3.18Å; H159-D192 IonicContact NE2-OD2 3.76Å; H159-D192 PolarHBondContact NE2-OD2 2.87Å
160A65.9Low69.1Low60 Ų60102.8 Ų102.850%0.49652%0.517SS..THydrogen-bonded Turntrans-75.7-7.4-172.800000115R156 G162R156-A160 VanDerWaalsContact O-CB 3.26Å; R156-A160 WeakPolarHBondContact O-CB 3.28Å; R156-A160 PolarHBondContact O-N 3.31Å; A160-G162 PolarHBondContact O-N 2.87Å
161F57.4Low67.7Low184 Ų184101.4 Ų101.481%0.80752%0.517SS*.THydrogen-bonded Turntrans-69.5-6.2178.4-81.9-83.1000114.5H159H159-F161 VanDerWaalsContact C-N 3.28Å; H159-F161 PolarHBondContact O-N 3.46Å
162G53.5Low66.5Low60 Ų60105.3 Ų105.362%0.61954%0.544SS*.SBendtrans-109.6-30.2-176.400000117.6A160A160-G162 PolarHBondContact O-N 2.87Å
163L53.6Low65.6Low123 Ų123104.7 Ų104.764%0.64454%0.541SS*.  trans-151.497.2-177.5-86100.5000111.3R165L163-R165 PolarHBondContact O-N 3.07Å
164Q48.3Very low65.2Low190 Ų190105.9 Ų105.989%0.88854%0.544SS*.  trans-68.594.7162.4-69.9-165.6-9.100109.1P166Q164-P166 WeakPolarHBondContact O-CD 3.28Å
165R55.2Low64.9Low157 Ų157109.9 Ų109.959%0.59257%0.568SS**  trans-98.9104.4163-69.7-170.5-170.6-164.45.7108.2L163 H167L163-R165 PolarHBondContact O-N 3.07Å; R165-H167 PolarHBondContact O-N 3.01Å
166P48.6Very low64.8Low133 Ų133110 Ų11086%0.86457%0.573SS**THydrogen-bonded Turntrans-74.719.3-170.730.4-34.9000114.2Q164Q164-P166 WeakPolarHBondContact O-CD 3.28Å
167H47.8Very low64.9Low182 Ų182110 Ų11084%0.84358%0.578SS**THydrogen-bonded Turntrans-154.615.3-172.5-150.362.2000117.1R165 K169R165-H167 PolarHBondContact O-N 3.01Å; H167-K169 PolarHBondContact O-N 3.33Å
168Q55Low65.4Low107 Ų107108.6 Ų108.650%0.556%0.564SS.*  trans-87.9115174.7-105.8171.5-37.400110.5Q170Q168-Q170 PolarHBondContact O-N 3.2Å
169K52.6Low66Low196 Ų196109 Ų10985%0.85257%0.57SS**  trans-37132162.4-73.5174.6175.5177.90108.9H167 Q171H167-K169 PolarHBondContact O-N 3.33Å; K169-Q171 VanDerWaalsContact C-N 3.34Å; K169-Q171 WeakPolarHBondContact O-CG 3.3Å; K169-Q171 PolarHBondContact O-N 3.46Å
170Q59.9Low67.1Low169 Ų169105.4 Ų105.479%0.7955%0.553SS**  trans-37.895.1-177.2-61.3-167-1.500110.7Q168Q168-Q170 PolarHBondContact O-N 3.2Å
171Q60.6Low68.5Low128 Ų128103.7 Ų103.760%0.59854%0.536SS*.PPolyproline II helixtrans-72.6140.7173.8-69.7-137.2-3000106.7K169 V173K169-Q171 VanDerWaalsContact C-N 3.34Å; K169-Q171 WeakPolarHBondContact O-CG 3.3Å; K169-Q171 PolarHBondContact O-N 3.46Å; Q171-V173 PolarHBondContact O-N 2.9Å
172P64Low70.4Confident119 Ų11994.9 Ų94.977%0.77350%0.497SS*.PPolyproline II helixtrans-54.5132173.923.6-31.8000107.9
173V70.7Confident72.3Confident17 Ų1794 Ų9410%0.10348%0.481CS..PPolyproline II helixtrans-58.5144.6173.7-85.10000108.8D152 R155 R156 Q171 N175D152-V173 HydrophobicContact CB-CG2 4.07Å; D152-V173 VanDerWaalsContact OD1-CG2 3.31Å; D152-V173 WeakPolarHBondContact OD1-CG2 3.4Å; R155-V173 HydrophobicContact CB-CG1 4.37Å; R155-V173 VanDerWaalsContact NH2-CG2 3.33Å; R156-V173 HydrophobicContact CG-CG1 3.43Å; R156-V173 VanDerWaalsContact CG-CG1 3.43Å; Q171-V173 PolarHBondContact O-N 2.9Å; V173-N175 PolarHBondContact O-N 2.8Å
174P78.4Confident74.3Confident77 Ų7791.3 Ų91.350%0.548%0.476SS..PPolyproline II helixtrans-50.4143.4172.2-2534000110.9S176P174-S176 PolarHBondContact O-N 2.8Å
175N80.8Confident76.5Confident156 Ų15684.5 Ų84.583%0.83445%0.449SS*.PPolyproline II helixtrans-68.2122.5177.1-65.8-1.3000108.9V173V173-N175 PolarHBondContact O-N 2.8Å
176S87Confident78.4Confident27 Ų2782.6 Ų82.619%0.18945%0.448CS..PPolyproline II helixtrans-82.8143.8167.755.80000109.8R155 P174 L191 D192R155-S176 PolarHBondContact NH1-OG 3.15Å; P174-S176 PolarHBondContact O-N 2.8Å; S176-L191 PolarHBondContact OG-O 2.93Å; S176-D192 WeakPolarHBondContact CB-OD1 3.47Å
177D89.1Confident80.7Confident78 Ų7878 Ų7842%0.41742%0.417SS..SBendtrans-74.2-34.1-177.4-75.4-29.1000113.5C193 R195 H282D177-C193 PolarHBondContact N-O 2.72Å; D177-R195 HydrophobicContact CB-CB 4.24Å; D177-R195 WeakPolarHBondContact OD2-CB 3.33Å; D177-R195 PolarHBondContact OD2-N 2.78Å; D177-H282 PolarHBondContact O-ND1 3.33Å
178A92.4Very high82.9Confident4 Ų471.6 Ų71.63%0.03339%0.392CS..  trans-158.7161.9-178.900000112.3L180 C193 Y203 A280 S281A178-L180 HydrophobicContact CB-CD2 4.25Å; A178-C193 PolarHBondContact O-SG 3.05Å; A178-Y203 HydrophobicContact CB-CE1 3.9Å; A178-A280 HydrophobicContact CB-CB 4.03Å; A178-S281 WeakPolarHBondContact CA-O 3.37Å
179V93.5Very high84.8Confident46 Ų4666.5 Ų66.528%0.27937%0.368SS..EExtended strand (participates in β ladder)trans-95.1128.9161.1177.50000108.3T188 L191 A280 S281V179-T188 HydrophobicContact CG1-CG2 3.82Å; V179-L191 HydrophobicContact CG1-CD2 4.09Å; V179-L191 HydrophobicContact CG2-CD2 4.37Å; V179-A280 WeakPolarHBondContact O-CA 3.3Å; V179-S281 PolarHBondContact N-O 3.36Å; V179-S281 PolarHBondContact O-N 3.12Å
180L95Very high86.7Confident0 Ų057.2 Ų57.20%033%0.328CS..EExtended strand (participates in β ladder)trans-101.1129.1-177.7-52.5-177.4000110.7A178 L189 C190 C193 Y203 F275 V278 A280A178-L180 HydrophobicContact CB-CD2 4.25Å; L180-L189 PolarHBondContact O-N 3.47Å; L180-C190 HydrophobicContact CB-CB 4.03Å; L180-C190 HydrophobicContact CD1-CB 3.98Å; L180-C190 HydrophobicContact CG-CB 4.13Å; L180-C190 PolarHBondContact N-O 3.48Å; L180-C190 PolarHBondContact O-N 2.86Å; L180-C193 HydrophobicContact CD1-CB 3.92Å; L180-C193 HydrophobicContact CG-CB 4.27Å; L180-Y203 HydrophobicContact CD1-CG 4.19Å; L180-Y203 HydrophobicContact CD2-CD1 4.07Å; L180-Y203 HydrophobicContact CD2-CD2 3.65Å; L180-Y203 HydrophobicContact CD2-CE1 4.4Å; L180-Y203 HydrophobicContact CD2-CE2 4.01Å; L180-Y203 HydrophobicContact CD2-CG 3.69Å; L180-F275 HydrophobicContact CD1-CB 4.12Å; L180-F275 HydrophobicContact CD1-CD1 4.45Å; L180-F275 HydrophobicContact CD1-CD2 3.62Å; L180-F275 HydrophobicContact CD1-CE2 4.08Å; L180-F275 HydrophobicContact CD1-CG 3.81Å; L180-V278 HydrophobicContact CB-CB 4.49Å; L180-V278 HydrophobicContact CD1-CG2 4.43Å; L180-V278 HydrophobicContact CD2-CG2 4.08Å; L180-A280 HydrophobicContact CD2-CB 4.08Å
181N95.7Very high88.3Confident24 Ų2450 Ų5013%0.12829%0.294CS..EExtended strand (participates in β ladder)trans-120.4150.1178.8-60.7-45.5000111.1T187 T188 L279 S281N181-T187 CarbonylContact C-O 3.57Å; N181-T187 WeakPolarHBondContact CA-O 3.39Å; N181-T188 VanDerWaalsContact OD1-CA 3.31Å; N181-T188 WeakPolarHBondContact OD1-CA 3.31Å; N181-T188 PolarHBondContact OD1-OG1 3.02Å; N181-T188 VanDerWaalsContact OD1-OG1 3.14Å; N181-L279 HydrophobicContact CB-CB 4.35Å; N181-L279 PolarHBondContact N-O 2.83Å; N181-L279 PolarHBondContact O-N 2.72Å; N181-S281 PolarHBondContact ND2-OG 3.41Å
182C95.9Very high89.7Confident0 Ų045.2 Ų45.20%027%0.273CS..  trans-66.1133.3175.8-176.90000110.6A184 C185 M186 T187 L189 C260C182-A184 VanDerWaalsContact C-N 3.28Å; C182-A184 PolarHBondContact O-N 3.19Å; C182-C185 VanDerWaalsContact CB-SG 3.59Å; C182-C185 VanDerWaalsContact SG-SG 3.62Å; C182-M186 WeakPolarHBondContact O-CA 3.29Å; C182-M186 PolarHBondContact O-N 3.22Å; C182-T187 PolarHBondContact N-O 3.41Å; C182-L189 HydrophobicContact CB-CD1 3.99Å; C182-L189 HydrophobicContact CB-CD2 4.17Å; C182-L189 HydrophobicContact CB-CG 4.16Å; C182-C260 PolarHBondContact SG-SG 3.49Å
183P95Very high91Very high42 Ų4239.8 Ų39.827%0.27324%0.238SC..THydrogen-bonded Turntrans-67.9-24.8-179.627.3-35.4000114T262 N277 L279P183-T262 HydrophobicContact CG-CG2 4.32Å; P183-N277 VanDerWaalsContact CD-O 3.29Å; P183-N277 WeakPolarHBondContact CD-O 3.37Å; P183-N277 WeakPolarHBondContact CG-O 3.28Å; P183-L279 HydrophobicContact CB-CG 4.32Å
184A94.9Very high92.1Very high66 Ų6645 Ų4555%0.54526%0.261SS..THydrogen-bonded Turntrans-91.8-44.8-176.400000113.2C182 C260 T262C182-A184 VanDerWaalsContact C-N 3.28Å; C182-A184 PolarHBondContact O-N 3.19Å; A184-C260 HydrophobicContact CB-CB 4.49Å; A184-T262 HydrophobicContact CB-CG2 4.48Å; A184-T262 WeakPolarHBondContact CB-OG1 3.49Å
185C95.3Very high92.8Very high46 Ų4645.8 Ų45.831%0.31125%0.254SS..THydrogen-bonded Turntrans-113.51-175.565.10000114.4C182 T187 C260C182-C185 VanDerWaalsContact CB-SG 3.59Å; C182-C185 VanDerWaalsContact SG-SG 3.62Å; C185-T187 PolarHBondContact O-N 2.98Å; C185-T187 VanDerWaalsContact SG-CB 3.55Å; C185-T187 PolarHBondContact SG-OG1 3.4Å; C185-C260 HydrophobicContact CB-CB 4.01Å
186M95.2Very high93.2Very high117 Ų11740.6 Ų40.658%0.57622%0.224SC*.  trans59.17.1-177.4-58.7-71.1167.100115.3C182 T188 L279C182-M186 WeakPolarHBondContact O-CA 3.29Å; C182-M186 PolarHBondContact O-N 3.22Å; M186-T188 PolarHBondContact O-N 2.88Å; M186-L279 HydrophobicContact CE-CD1 3.27Å; M186-L279 HydrophobicContact SD-CD1 3.33Å; M186-L279 WeakPolarHBondContact SD-CD1 3.28Å
187T95.8Very high93.3Very high36 Ų3648.1 Ų48.122%0.22126%0.257CS..  trans-61135.2176.3-60.60000110.4N181 C182 C185 L189 N210 E259N181-T187 CarbonylContact C-O 3.57Å; N181-T187 WeakPolarHBondContact CA-O 3.39Å; C182-T187 PolarHBondContact N-O 3.41Å; C185-T187 PolarHBondContact O-N 2.98Å; C185-T187 VanDerWaalsContact SG-CB 3.55Å; C185-T187 PolarHBondContact SG-OG1 3.4Å; T187-L189 PolarHBondContact O-N 3Å; T187-N210 HydrophobicContact CG2-CB 3.73Å; T187-E259 HydrophobicContact CG2-CG 3.89Å
188T94.3Very high93.2Very high49 Ų4948.7 Ų48.730%0.30127%0.267SS..EExtended strand (participates in β ladder)trans-66.4125.1176-54.90000110.6V179 N181 M186 L191 M209V179-T188 HydrophobicContact CG1-CG2 3.82Å; N181-T188 VanDerWaalsContact OD1-CA 3.31Å; N181-T188 WeakPolarHBondContact OD1-CA 3.31Å; N181-T188 PolarHBondContact OD1-OG1 3.02Å; N181-T188 VanDerWaalsContact OD1-OG1 3.14Å; M186-T188 PolarHBondContact O-N 2.88Å; T188-L191 HydrophobicContact CG2-CD2 3.79Å; T188-L191 HydrophobicContact CG2-CG 4.4Å; T188-M209 HydrophobicContact CG2-SD 4.19Å; T188-M209 WeakPolarHBondContact O-CG 3.49Å
189L94.4Very high93.1Very high0 Ų055 Ų550%029%0.291CS..EExtended strand (participates in β ladder)trans-104.7-30.4-177.8-58.6176.8000112.1L180 C182 T187 V208 M209 N210 C257 V264 F275 V278L180-L189 PolarHBondContact O-N 3.47Å; C182-L189 HydrophobicContact CB-CD1 3.99Å; C182-L189 HydrophobicContact CB-CD2 4.17Å; C182-L189 HydrophobicContact CB-CG 4.16Å; T187-L189 PolarHBondContact O-N 3Å; L189-V208 WeakPolarHBondContact O-CA 3.16Å; L189-M209 WeakPolarHBondContact CA-O 3.49Å; L189-M209 PolarHBondContact O-N 2.99Å; L189-M209 VanDerWaalsContact O-O 3.12Å; L189-N210 HydrophobicContact CD2-CB 4.39Å; L189-C257 HydrophobicContact CD2-CB 4.27Å; L189-V264 HydrophobicContact CD1-CB 3.9Å; L189-V264 HydrophobicContact CD1-CG1 3.81Å; L189-V264 HydrophobicContact CD1-CG2 3.98Å; L189-F275 HydrophobicContact CB-CE1 4.28Å; L189-F275 HydrophobicContact CD1-CE1 4.24Å; L189-V278 HydrophobicContact CD1-CG1 4.03Å
190C93.4Very high92.8Very high1 Ų159.7 Ų59.71%0.00731%0.307CS..EExtended strand (participates in β ladder)trans-156134.6-178.3-172.50000112L180 D192 A205 F207 F275L180-C190 HydrophobicContact CB-CB 4.03Å; L180-C190 HydrophobicContact CD1-CB 3.98Å; L180-C190 HydrophobicContact CG-CB 4.13Å; L180-C190 PolarHBondContact N-O 3.48Å; L180-C190 PolarHBondContact O-N 2.86Å; C190-D192 VanDerWaalsContact SG-C 3.51Å; C190-D192 PolarHBondContact SG-N 2.96Å; C190-D192 VanDerWaalsContact SG-N 3.41Å; C190-D192 PolarHBondContact SG-O 3.18Å; C190-A205 VanDerWaalsContact SG-CB 3.57Å; C190-F207 PolarHBondContact SG-O 3.38Å; C190-F275 HydrophobicContact CB-CE2 4.45Å
191L92.1Very high92.5Very high17 Ų1764.5 Ų64.59%0.08934%0.337CS..SBendtrans-100.2-15175.4-64.2176.6000113.2V151 Q154 R155 S176 V179 T188 M209V151-L191 HydrophobicContact CG1-CD1 4.31Å; Q154-L191 HydrophobicContact CG-CD1 4.28Å; R155-L191 HydrophobicContact CG-CB 4.33Å; S176-L191 PolarHBondContact OG-O 2.93Å; V179-L191 HydrophobicContact CG1-CD2 4.09Å; V179-L191 HydrophobicContact CG2-CD2 4.37Å; T188-L191 HydrophobicContact CG2-CD2 3.79Å; T188-L191 HydrophobicContact CG2-CG 4.4Å; L191-M209 HydrophobicContact CB-CE 4.29Å; L191-M209 HydrophobicContact CD1-CE 3.55Å; L191-M209 HydrophobicContact CD1-SD 4.34Å; L191-M209 HydrophobicContact CG-CE 3.56Å; L191-M209 HydrophobicContact CG-SD 4.21Å
192D91.1Very high92.4Very high28 Ų2866.3 Ų66.315%0.1534%0.344CS..SBendtrans-138.1101-177.2-168.58.6000110.8R155 H159 S176 C190R155-D192 HydrophobicContact CG-CB 4.32Å; H159-D192 IonicContact CD2-OD2 2.71Å; H159-D192 IonicContact CE1-OD2 3.82Å; H159-D192 PolarHBondContact CE1-OD2 3.18Å; H159-D192 IonicContact NE2-OD2 3.76Å; H159-D192 PolarHBondContact NE2-OD2 2.87Å; S176-D192 WeakPolarHBondContact CB-OD1 3.47Å; C190-D192 VanDerWaalsContact SG-C 3.51Å; C190-D192 PolarHBondContact SG-N 2.96Å; C190-D192 VanDerWaalsContact SG-N 3.41Å; C190-D192 PolarHBondContact SG-O 3.18Å
193C91.8Very high92.4Very high5 Ų566.7 Ų66.73%0.03435%0.346CS..  trans-134.8154-179.173.30000111.4D177 A178 L180 Y203 R204 A205D177-C193 PolarHBondContact N-O 2.72Å; A178-C193 PolarHBondContact O-SG 3.05Å; L180-C193 HydrophobicContact CD1-CB 3.92Å; L180-C193 HydrophobicContact CG-CB 4.27Å; C193-Y203 VanDerWaalsContact SG-CD1 3.59Å; C193-R204 WeakPolarHBondContact CA-O 3.25Å; C193-A205 HydrophobicContact CB-CB 4.23Å
194Q92.1Very high92.3Very high127 Ų12769.7 Ų69.759%0.59335%0.352SS*.EExtended strand (participates in β ladder)trans-108.3128.3172.4-173.2-179.715.400108.9Y203 R204Q194-Y203 CarbonylContact O-C 3.57Å; Q194-Y203 WeakPolarHBondContact O-CA 3.49Å; Q194-R204 PolarHBondContact N-O 2.83Å; Q194-R204 PolarHBondContact O-N 3.2Å
195R93Very high92.2Very high92 Ų9266.8 Ų66.835%0.34733%0.328SS..EExtended strand (participates in β ladder)trans-70138.1176.6-167.6-176.4-163.2172.514.3110.5D177 K200 Y203D177-R195 HydrophobicContact CB-CB 4.24Å; D177-R195 WeakPolarHBondContact OD2-CB 3.33Å; D177-R195 PolarHBondContact OD2-N 2.78Å; R195-K200 VanDerWaalsContact CZ-O 3.3Å; R195-K200 PolarHBondContact NE-O 2.93Å; R195-K200 VanDerWaalsContact NH2-CB 3.26Å; R195-K200 PolarHBondContact NH2-O 2.97Å; R195-Y203 HydrophobicContact CB-CD1 4.06Å; R195-Y203 HydrophobicContact CB-CE1 3.92Å; R195-Y203 HydrophobicContact CG-CD1 4.24Å; R195-Y203 HydrophobicContact CG-CE1 3.82Å
196H90.6Very high92Very high47 Ų4770 Ų7022%0.21834%0.34CS..  trans-68.3136176.1-168.9-95.2000111.3S198 Y199 Q202H196-S198 PolarHBondContact ND1-N 3.05Å; H196-S198 PolarHBondContact O-N 3.06Å; H196-Y199 AromaticContact CE1-CD2 3.74Å; H196-Y199 AromaticContact ND1-CD2 3.58Å; H196-Y199 PolarHBondContact ND1-N 3.24Å; H196-Y199 CarbonylContact O-C 3.59Å; H196-Y199 PolarHBondContact O-N 3.22Å; H196-Q202 HydrophobicContact CB-CB 3.92Å; H196-Q202 WeakPolarHBondContact CB-O 3.41Å; H196-Q202 PolarHBondContact N-O 3.34Å
197E88.2Confident91.8Very high186 Ų18667.6 Ų67.687%0.86933%0.326SS*.SBendtrans-61.7-45.6-175.7-66.3-176.9176.800112.5
198S88.5Confident91.7Very high90 Ų9067.5 Ų67.563%0.62933%0.326SS*.SBendtrans-82.9-28.8-177.6-48.50000113.3H196H196-S198 PolarHBondContact ND1-N 3.05Å; H196-S198 PolarHBondContact O-N 3.06Å
199Y88.6Confident91.6Very high136 Ų13666.8 Ų66.853%0.53332%0.319SS..  trans-126.297.5-169.4-64.9-62.3000109.8H196 T201 Q202H196-Y199 AromaticContact CE1-CD2 3.74Å; H196-Y199 AromaticContact ND1-CD2 3.58Å; H196-Y199 PolarHBondContact ND1-N 3.24Å; H196-Y199 CarbonylContact O-C 3.59Å; H196-Y199 PolarHBondContact O-N 3.22Å; Y199-T201 PolarHBondContact O-N 2.96Å; Y199-Q202 PolarHBondContact O-N 3.39Å
200K88.2Confident91.5Very high144 Ų14469.7 Ų69.763%0.62634%0.335SS*.THydrogen-bonded Turntrans-58.9-19.6-177.1-82.4-170.6-175.4-178.40115.3R195R195-K200 VanDerWaalsContact CZ-O 3.3Å; R195-K200 PolarHBondContact NE-O 2.93Å; R195-K200 VanDerWaalsContact NH2-CB 3.26Å; R195-K200 PolarHBondContact NH2-O 2.97Å
201T89.3Confident91.5Very high102 Ų10271 Ų7163%0.62634%0.343SS*.THydrogen-bonded Turntrans-96.5-4.1179.253.30000113Y199Y199-T201 PolarHBondContact O-N 2.96Å
202Q92.6Very high91.6Very high61 Ų6172.3 Ų72.329%0.28535%0.354SS..  trans-106.2145.3-179.8-64175.711.800110.3H196 Y199 F275 F276H196-Q202 HydrophobicContact CB-CB 3.92Å; H196-Q202 WeakPolarHBondContact CB-O 3.41Å; H196-Q202 PolarHBondContact N-O 3.34Å; Y199-Q202 PolarHBondContact O-N 3.39Å; Q202-F275 WeakPolarHBondContact CA-O 3.49Å; Q202-F275 WeakPolarHBondContact CB-O 3.08Å; Q202-F276 HydrophobicContact CG-CB 4.14Å
203Y95.1Very high91.8Very high8 Ų873.1 Ų73.13%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-134.4144.6-176.6-61.8-90.7000109.8A178 L180 C193 Q194 R195 F275 V278 A280 H282A178-Y203 HydrophobicContact CB-CE1 3.9Å; L180-Y203 HydrophobicContact CD1-CG 4.19Å; L180-Y203 HydrophobicContact CD2-CD1 4.07Å; L180-Y203 HydrophobicContact CD2-CD2 3.65Å; L180-Y203 HydrophobicContact CD2-CE1 4.4Å; L180-Y203 HydrophobicContact CD2-CE2 4.01Å; L180-Y203 HydrophobicContact CD2-CG 3.69Å; C193-Y203 VanDerWaalsContact SG-CD1 3.59Å; Q194-Y203 CarbonylContact O-C 3.57Å; Q194-Y203 WeakPolarHBondContact O-CA 3.49Å; R195-Y203 HydrophobicContact CB-CD1 4.06Å; R195-Y203 HydrophobicContact CB-CE1 3.92Å; R195-Y203 HydrophobicContact CG-CD1 4.24Å; R195-Y203 HydrophobicContact CG-CE1 3.82Å; Y203-F275 PolarHBondContact N-O 2.87Å; Y203-F275 PolarHBondContact O-N 3.27Å; Y203-V278 HydrophobicContact CD2-CG2 4.05Å; Y203-A280 HydrophobicContact CE1-CB 4.47Å; Y203-A280 HydrophobicContact CE2-CB 3.68Å; Y203-A280 VanDerWaalsContact OH-CB 3.22Å; Y203-A280 WeakPolarHBondContact OH-CB 3.1Å; Y203-H282 PolarHBondContact OH-CE1 2.91Å; Y203-H282 PolarHBondContact OH-NE2 3.07Å
204R93.6Very high91.8Very high105 Ų10574.8 Ų74.840%0.39637%0.368SS..EExtended strand (participates in β ladder)trans-109.5135.4173.6-73.2179.3157.6-143.5-3.5108.8C193 Q194 V272 F273 H274C193-R204 WeakPolarHBondContact CA-O 3.25Å; Q194-R204 PolarHBondContact N-O 2.83Å; Q194-R204 PolarHBondContact O-N 3.2Å; R204-V272 HydrophobicContact CB-CG1 4.2Å; R204-V272 HydrophobicContact CG-CG1 4.4Å; R204-F273 CarbonylContact C-O 3.57Å; R204-F273 VanDerWaalsContact CA-O 3.29Å; R204-F273 WeakPolarHBondContact CA-O 3.26Å; R204-H274 PolarHBondContact NE-NE2 3.02Å; R204-H274 PolarHBondContact NH2-NE2 3Å; R204-H274 VanDerWaalsContact NH2-NE2 3.11Å
205A93.9Very high91.6Very high5 Ų577.1 Ų77.14%0.04137%0.372CS..EExtended strand (participates in β ladder)trans-140.4147.9175.500000110.5C190 C193 V208 F273 F275C190-A205 VanDerWaalsContact SG-CB 3.57Å; C193-A205 HydrophobicContact CB-CB 4.23Å; A205-V208 HydrophobicContact CB-CG1 4.43Å; A205-F273 PolarHBondContact N-O 3.38Å; A205-F273 WeakPolarHBondContact O-CB 3.4Å; A205-F273 PolarHBondContact O-N 3.22Å; A205-F275 HydrophobicContact CB-CD2 4.43Å; A205-F275 HydrophobicContact CB-CE2 3.97Å
206M90.8Very high91.3Very high113 Ų11381.5 Ų81.556%0.55740%0.396SS*.SBendtrans-89.9-32.4172-64.7-177.5-6700111.4
207F90.6Very high91Very high67 Ų6784.2 Ų84.229%0.29441%0.409SS..  trans-124.6134.5-174.7-58.2-84.7000110.1Y158 C190Y158-F207 VanDerWaalsContact CB-CD2 3.47Å; Y158-F207 HydrophobicContact CD1-CB 3.86Å; Y158-F207 AromaticContact CD1-CD1 3.78Å; Y158-F207 HydrophobicContact CD1-CD1 3.78Å; Y158-F207 HydrophobicContact CD1-CE1 4.46Å; Y158-F207 AromaticContact CD1-CG 3.8Å; Y158-F207 HydrophobicContact CD1-CG 3.8Å; Y158-F207 HydrophobicContact CD2-CB 3.83Å; Y158-F207 HydrophobicContact CD2-CG 4.23Å; Y158-F207 HydrophobicContact CE1-CB 4.21Å; Y158-F207 HydrophobicContact CE2-CB 4.19Å; Y158-F207 HydrophobicContact CG-CB 3.68Å; Y158-F207 HydrophobicContact CG-CD1 4.04Å; Y158-F207 AromaticContact CG-CD2 3.97Å; Y158-F207 HydrophobicContact CG-CD2 3.97Å; Y158-F207 AromaticContact CG-CG 3.62Å; Y158-F207 HydrophobicContact CG-CG 3.62Å; Y158-F207 WeakPolarHBondContact O-CE2 3.49Å; Y158-F207 WeakPolarHBondContact O-CZ 3.41Å; C190-F207 PolarHBondContact SG-O 3.38Å
208V92.8Very high90.9Very high35 Ų3578.5 Ų78.521%0.21239%0.387CS..  trans-133.6154.7-177.6-59.30000109.6L189 A205 C211 F273 F275L189-V208 WeakPolarHBondContact O-CA 3.16Å; A205-V208 HydrophobicContact CB-CG1 4.43Å; V208-C211 HydrophobicContact CB-CB 4.15Å; V208-C211 HydrophobicContact CG2-CB 3.71Å; V208-F273 HydrophobicContact CG1-CB 3.96Å; V208-F273 HydrophobicContact CG1-CD1 3.9Å; V208-F273 HydrophobicContact CG1-CD2 3.68Å; V208-F273 HydrophobicContact CG1-CE1 4.33Å; V208-F273 HydrophobicContact CG1-CE2 4.13Å; V208-F273 HydrophobicContact CG1-CG 3.56Å; V208-F273 HydrophobicContact CG1-CZ 4.44Å; V208-F273 HydrophobicContact CG2-CD1 4.05Å; V208-F273 HydrophobicContact CG2-CD2 4.22Å; V208-F273 HydrophobicContact CG2-CE1 3.64Å; V208-F273 HydrophobicContact CG2-CE2 3.81Å; V208-F273 HydrophobicContact CG2-CG 4.34Å; V208-F273 HydrophobicContact CG2-CZ 3.51Å; V208-F275 HydrophobicContact CB-CZ 4.35Å; V208-F275 HydrophobicContact CG1-CE2 3.66Å; V208-F275 HydrophobicContact CG1-CZ 3.49Å; V208-F275 VanDerWaalsContact CG1-CZ 3.49Å
209M92.4Very high90.6Very high34 Ų3476.5 Ų76.517%0.16737%0.369CS..SBendtrans-124.3155.1171.759.6-167.770.500108.9Y158 T188 L189 L191 C211Y158-M209 HydrophobicContact CE2-CE 4.41Å; Y158-M209 WeakPolarHBondContact OH-CE 3.47Å; T188-M209 HydrophobicContact CG2-SD 4.19Å; T188-M209 WeakPolarHBondContact O-CG 3.49Å; L189-M209 WeakPolarHBondContact CA-O 3.49Å; L189-M209 PolarHBondContact O-N 2.99Å; L189-M209 VanDerWaalsContact O-O 3.12Å; L191-M209 HydrophobicContact CB-CE 4.29Å; L191-M209 HydrophobicContact CD1-CE 3.55Å; L191-M209 HydrophobicContact CD1-SD 4.34Å; L191-M209 HydrophobicContact CG-CE 3.56Å; L191-M209 HydrophobicContact CG-SD 4.21Å; M209-C211 PolarHBondContact O-N 2.9Å; M209-C211 VanDerWaalsContact O-N 3.08Å; M209-C211 PolarHBondContact O-SG 3.12Å
210N93.4Very high90.3Very high61 Ų6177 Ų7733%0.32637%0.369SS..SBendtrans5631.5176.8-54.375.4000113.6T187 L189 C257 T258 E259T187-N210 HydrophobicContact CG2-CB 3.73Å; L189-N210 HydrophobicContact CD2-CB 4.39Å; N210-C257 WeakPolarHBondContact O-CA 3.42Å; N210-T258 VanDerWaalsContact C-OG1 3.28Å; N210-T258 VanDerWaalsContact CA-OG1 3.25Å; N210-T258 WeakPolarHBondContact CA-OG1 3.47Å; N210-T258 PolarHBondContact O-N 3.01Å; N210-T258 PolarHBondContact O-OG1 3.36Å; N210-E259 PolarHBondContact ND2-OE1 3.18Å
211C93.8Very high89.4Confident27 Ų2777.9 Ų77.918%0.18237%0.37CS..EExtended strand (participates in β ladder)trans-124140.5179.6-74.40000110.7V208 M209 V255 M256V208-C211 HydrophobicContact CB-CB 4.15Å; V208-C211 HydrophobicContact CG2-CB 3.71Å; M209-C211 PolarHBondContact O-N 2.9Å; M209-C211 VanDerWaalsContact O-N 3.08Å; M209-C211 PolarHBondContact O-SG 3.12Å; C211-V255 HydrophobicContact CB-CG1 3.75Å; C211-M256 CarbonylContact C-O 3.54Å; C211-M256 WeakPolarHBondContact CA-O 3.34Å
212S93.8Very high88.2Confident45 Ų4582.1 Ų82.132%0.31538%0.38SS..EExtended strand (participates in β ladder)trans-121.6132.817560.90000109.8V255 M256S212-V255 CarbonylContact O-C 3.57Å; S212-V255 WeakPolarHBondContact O-CA 3.39Å; S212-M256 PolarHBondContact N-O 3.25Å; S212-M256 PolarHBondContact O-N 3.47Å; S212-M256 PolarHBondContact OG-O 2.98Å; S212-M256 VanDerWaalsContact OG-O 3.07Å
213V94.6Very high86.6Confident46 Ų4683.1 Ų83.128%0.27939%0.387SS..EExtended strand (participates in β ladder)trans-97.9118-179.6-174.30000108.9R215 H253 V255 Y267 F273V213-R215 HydrophobicContact CG1-CG 4.18Å; V213-R215 PolarHBondContact O-N 2.68Å; V213-H253 HydrophobicContact CG1-CB 3.81Å; V213-V255 HydrophobicContact CG1-CG2 4.47Å; V213-V255 HydrophobicContact CG2-CG2 4.13Å; V213-Y267 HydrophobicContact CG1-CD1 4.14Å; V213-Y267 HydrophobicContact CG1-CG 4.27Å; V213-Y267 HydrophobicContact CG2-CG 4.48Å; V213-F273 HydrophobicContact CG2-CE1 3.8Å; V213-F273 HydrophobicContact CG2-CZ 4.26Å
214N91.8Very high84.8Confident39 Ų3987.6 Ų87.621%0.20942%0.417CS..  trans-84.199.6173.6-174.7-0.6000109.6E216 P254 M256N214-E216 VanDerWaalsContact C-N 3.28Å; N214-E216 WeakPolarHBondContact OD1-CB 3.18Å; N214-E216 PolarHBondContact OD1-N 3.41Å; N214-E216 VanDerWaalsContact OD1-N 3.08Å; N214-P254 HydrophobicContact CB-CG 4.26Å; N214-P254 PolarHBondContact N-O 2.85Å; N214-M256 HydrophobicContact CB-CE 4.34Å
215R88.4Confident83Confident177 Ų17789.4 Ų89.467%0.66843%0.43SS*.SBendtrans-80.6-8179.6-62.9-176.9-179.3-134.8-2.3113.7V213V213-R215 HydrophobicContact CG1-CG 4.18Å; V213-R215 PolarHBondContact O-N 2.68Å
216E85.9Confident81.1Confident184 Ų18492.6 Ų92.686%0.8645%0.446SS*.SBendtrans-78.5-30.9-180-56.2-178.1174.100111.2N214N214-E216 VanDerWaalsContact C-N 3.28Å; N214-E216 WeakPolarHBondContact OD1-CB 3.18Å; N214-E216 PolarHBondContact OD1-N 3.41Å; N214-E216 VanDerWaalsContact OD1-N 3.08Å
217E84.1Confident79.4Confident103 Ų10397.1 Ų97.148%0.48146%0.457SS..  trans-95.8129.3177.2-172167.6-170.500110.8P254E217-P254 HydrophobicContact CB-CG 3.9Å; E217-P254 HydrophobicContact CG-CG 4.08Å; E217-P254 WeakPolarHBondContact O-CD 3.42Å
218V85.9Confident77.7Confident66 Ų66102.7 Ų102.740%0.448%0.481SS..  trans-119111.4179.5167.60000109.2R220 I251V218-R220 HydrophobicContact CG1-CG 4.01Å; V218-I251 HydrophobicContact CB-CG2 4.47Å; V218-I251 HydrophobicContact CG1-CB 4.36Å; V218-I251 HydrophobicContact CG1-CG1 4.17Å; V218-I251 HydrophobicContact CG1-CG2 3.61Å; V218-I251 HydrophobicContact CG2-CG2 4.19Å
219L83.1Confident75.9Confident49 Ų49108.7 Ų108.726%0.25751%0.505SS..EExtended strand (participates in β ladder)trans-86.8126.8171.7-67.1166.3000109Y252 P254 V266L219-Y252 PolarHBondContact N-O 2.95Å; L219-Y252 PolarHBondContact O-N 2.68Å; L219-P254 HydrophobicContact CD1-CB 4.26Å; L219-P254 HydrophobicContact CD1-CG 4.46Å; L219-V266 HydrophobicContact CD1-CG1 3.91Å
220R82Confident74Confident145 Ų145115.5 Ų115.555%0.54753%0.534SS..EExtended strand (participates in β ladder)trans-116.1114.5175.9-65-176.2-176.3-165.4-5.6109.8V218 E249V218-R220 HydrophobicContact CG1-CG 4.01Å; R220-E249 IonicContact CZ-OE2 3.16Å; R220-E249 IonicContact NE-OE2 3.72Å; R220-E249 VanDerWaalsContact NH1-CD 3.34Å; R220-E249 IonicContact NH1-OE1 3.3Å; R220-E249 PolarHBondContact NH1-OE1 3.21Å; R220-E249 IonicContact NH1-OE2 2.64Å; R220-E249 PolarHBondContact NH1-OE2 3.07Å; R220-E249 IonicContact NH2-OE2 3.76Å
221Y70.4Confident72.1Confident163 Ų163123.4 Ų123.464%0.63956%0.559SS**  trans-86123.1172.9-83.1-86.4000110.6N223 Y252Y221-N223 PolarHBondContact O-N 3.1Å; Y221-Y252 AromaticContact CD2-CD2 3.9Å; Y221-Y252 HydrophobicContact CD2-CD2 3.9Å; Y221-Y252 HydrophobicContact CD2-CE2 4.15Å
222K63.5Low70Confident192 Ų192125.1 Ų125.184%0.83558%0.581SS**  trans-83.4105.3170.4-71.6179.2-178.9168.90108.5
223N59.6Low68.1Low82 Ų82126.5 Ų126.544%0.43960%0.595SS.*  trans-56.3124.3174.5-169.4-31000110Y221 E225 N226Y221-N223 PolarHBondContact O-N 3.1Å; N223-E225 PolarHBondContact O-N 2.82Å; N223-E225 VanDerWaalsContact O-N 3.15Å; N223-E225 PolarHBondContact OD1-N 3.01Å; N223-E225 VanDerWaalsContact OD1-N 3.12Å; N223-N226 PolarHBondContact O-N 3Å
224P56.6Low66.2Low101 Ų101134.1 Ų134.166%0.65662%0.624SS**THydrogen-bonded Turntrans-63.1-17.5-177.924.1-34.3000113.9N226 R227P224-N226 PolarHBondContact O-N 2.9Å; P224-R227 WeakPolarHBondContact O-CB 3.24Å; P224-R227 PolarHBondContact O-N 2.83Å; P224-R227 VanDerWaalsContact O-N 3.15Å
225E55.8Low64.1Low143 Ų143141.7 Ų141.767%0.66866%0.655SS**THydrogen-bonded Turntrans-62.4-28.1174.9-65.2-150.7130.700112.8N223 R227 K228N223-E225 PolarHBondContact O-N 2.82Å; N223-E225 VanDerWaalsContact O-N 3.15Å; N223-E225 PolarHBondContact OD1-N 3.01Å; N223-E225 VanDerWaalsContact OD1-N 3.12Å; E225-R227 PolarHBondContact O-N 2.92Å; E225-K228 PolarHBondContact O-N 2.89Å
226N53.3Low61.9Low72 Ų72141.2 Ų141.239%0.38566%0.663SS.*Hα-helixtrans-72.3-13.6178.3-72.3-14.8000113.4N223 P224N223-N226 PolarHBondContact O-N 3Å; P224-N226 PolarHBondContact O-N 2.9Å
227R55Low60.4Low208 Ų208144.5 Ų144.579%0.78567%0.667SS**Hα-helixtrans-74-26.8175.8-118.2178.8172.5-175.4-1.9112.9P224 E225P224-R227 WeakPolarHBondContact O-CB 3.24Å; P224-R227 PolarHBondContact O-N 2.83Å; P224-R227 VanDerWaalsContact O-N 3.15Å; E225-R227 PolarHBondContact O-N 2.92Å
228K55.3Low58.4Low184 Ų184144.2 Ų144.280%0.868%0.676SS**Hα-helixtrans-80.6-37.2180-68.5-178.5-176.9172.70112.1E225E225-K228 PolarHBondContact O-N 2.89Å
229K54.8Low56.6Low161 Ų161149.1 Ų149.170%0.770%0.7SS**Hα-helixtrans-68.5-34.7178.3-71.1177.8179.31730113R231 G232K229-R231 PolarHBondContact O-N 3.36Å; K229-G232 PolarHBondContact O-N 3.19Å
230K53.1Low54.4Low178 Ų178151.3 Ų151.377%0.77473%0.726SS**Hα-helixtrans-72.6-20.4-178.1-135.5171.9-171.2168.70114.9
231R52.8Low52.8Low227 Ų227154.1 Ų154.186%0.85775%0.745SS**Hα-helixtrans-82.3-18.8176-64.6-177.985.6-178.65.2113.2K229K229-R231 PolarHBondContact O-N 3.36Å
232G49.8Very low51.2Low62 Ų62148.8 Ų148.864%0.63974%0.739SS**Hα-helixtrans-82.9-25.5175.200000114.4K229 K234K229-G232 PolarHBondContact O-N 3.19Å; G232-K234 PolarHBondContact O-N 2.79Å
233A55Low50.1Low74 Ų74145.5 Ų145.561%0.61274%0.738SS**G310 helixtrans-80.9-5.5-172.400000115.3K235A233-K235 VanDerWaalsContact C-N 3.26Å; A233-K235 PolarHBondContact O-N 2.77Å
234K53.3Low49.3Very low206 Ų206147.9 Ų147.990%0.89676%0.755SS**G310 helixtrans-81.34.5-177.3-146.4174.5-176.9177.50114.3G232G232-K234 PolarHBondContact O-N 2.79Å
235K48.9Very low48.6Very low198 Ų198151 Ų15186%0.86176%0.761SS**G310 helixtrans-111.11.8179.8-152.4178.8175.6-1780115.9A233A233-K235 VanDerWaalsContact C-N 3.26Å; A233-K235 PolarHBondContact O-N 2.77Å
236M41.6Very low48Very low168 Ų168149.8 Ų149.883%0.82876%0.763SS**  trans-136.3100.9168.9-95.2-161.9162.900111.7
237R54.1Low47.9Very low252 Ų252153.3 Ų153.395%0.95178%0.777SS**  trans-82116.8149.6-85.4-179.8147.9-171.2-6.8107.3
238S42.7Very low48.1Very low97 Ų97151.4 Ų151.468%0.67878%0.778SS**  trans-173.3119.4134.637.90000109.4
239N47Very low48.6Very low169 Ų169147.4 Ų147.490%0.90476%0.762SS**  trans31.295.5147.4-143.340.5000117.5
240A38.5Very low49.6Very low96 Ų96144.6 Ų144.679%0.79375%0.751SS**  trans-152.2107.6156.300000108.5G242A240-G242 VanDerWaalsContact C-N 3.33Å; A240-G242 PolarHBondContact O-N 2.96Å; A240-G242 VanDerWaalsContact O-N 3.09Å
241E47.5Very low51.2Low204 Ų204138.1 Ų138.195%0.95373%0.725SS**  trans-67.796.7159.5-64.6-176.1147.100106.6
242G38Very low53.1Low50 Ų50128.5 Ų128.552%0.51569%0.688SS.*  trans-114.2156170.900000109.3A240 V244A240-G242 VanDerWaalsContact C-N 3.33Å; A240-G242 PolarHBondContact O-N 2.96Å; A240-G242 VanDerWaalsContact O-N 3.09Å; G242-V244 PolarHBondContact O-N 3.27Å
243P39.8Very low55.1Low124 Ų124127.4 Ų127.481%0.80567%0.667SS**  trans-61.5131.9-171.129.5-33.4000109E245P243-E245 PolarHBondContact O-N 3.11Å
244V41.5Very low56.9Low131 Ų131124.1 Ų124.179%0.79464%0.639SS**  trans-65.290.8167.2178.60000105.6G242 T246G242-V244 PolarHBondContact O-N 3.27Å; V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 PolarHBondContact O-N 3.08Å
245E42.3Very low58.9Low168 Ų168114.3 Ų114.379%0.78560%0.596SS**  trans-60.4104.9157.6-75.9-169.5167.700105.1P243 E247P243-E245 PolarHBondContact O-N 3.11Å; E245-E247 PolarHBondContact O-N 3.05Å
246T42.8Very low61.1Low117 Ų117107.8 Ų107.872%0.71857%0.569SS**  trans-58.691.5169.7-25.60000105.7V244 E248V244-T246 VanDerWaalsContact C-N 3.29Å; V244-T246 PolarHBondContact O-N 3.08Å; T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 3.05Å
247E51.9Low63.8Low145 Ų14599.8 Ų99.868%0.67853%0.53SS*.  trans-55.3102.5167-66.3-175.7-178.700105E245 E249E245-E247 PolarHBondContact O-N 3.05Å; E247-E249 VanDerWaalsContact C-N 3.3Å; E247-E249 PolarHBondContact O-N 2.65Å
248E58.7Low65.8Low169 Ų16991.2 Ų91.279%0.7951%0.506SS*.  trans-61.795-176.9-67.9179.8165.900107.4T246 E250T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 3.05Å; E248-E250 PolarHBondContact O-N 3.32Å
249E66.1Low68.3Low99 Ų9992.1 Ų92.146%0.46350%0.5SS..  trans-55.7113171.2-85.4-179.5139.500106.8R220 E247 I251 K269R220-E249 IonicContact CZ-OE2 3.16Å; R220-E249 IonicContact NE-OE2 3.72Å; R220-E249 VanDerWaalsContact NH1-CD 3.34Å; R220-E249 IonicContact NH1-OE1 3.3Å; R220-E249 PolarHBondContact NH1-OE1 3.21Å; R220-E249 IonicContact NH1-OE2 2.64Å; R220-E249 PolarHBondContact NH1-OE2 3.07Å; R220-E249 IonicContact NH2-OE2 3.76Å; E247-E249 VanDerWaalsContact C-N 3.3Å; E247-E249 PolarHBondContact O-N 2.65Å; E249-I251 WeakPolarHBondContact O-CG1 3.47Å; E249-I251 PolarHBondContact O-N 2.87Å; E249-I251 VanDerWaalsContact O-N 3.09Å; E249-K269 WeakPolarHBondContact O-CE 3.2Å; E249-K269 PolarHBondContact O-NZ 2.99Å
250E76.2Confident70.6Confident102 Ų10285.9 Ų85.948%0.47747%0.468SS..  trans-59.9113170.9-69.6174.4-172.300107.3E248 Y252E248-E250 PolarHBondContact O-N 3.32Å; E250-Y252 HydrophobicContact CB-CD2 4.3Å; E250-Y252 HydrophobicContact CB-CE2 3.46Å; E250-Y252 VanDerWaalsContact CB-CE2 3.46Å; E250-Y252 PolarHBondContact OE2-OH 3.34Å
251I87.1Confident73.2Confident43 Ų4385.5 Ų85.522%0.22146%0.46CS..EExtended strand (participates in β ladder)trans-105.1120.3-176.1-74.9162000106V218 E249V218-I251 HydrophobicContact CB-CG2 4.47Å; V218-I251 HydrophobicContact CG1-CB 4.36Å; V218-I251 HydrophobicContact CG1-CG1 4.17Å; V218-I251 HydrophobicContact CG1-CG2 3.61Å; V218-I251 HydrophobicContact CG2-CG2 4.19Å; E249-I251 WeakPolarHBondContact O-CG1 3.47Å; E249-I251 PolarHBondContact O-N 2.87Å; E249-I251 VanDerWaalsContact O-N 3.09Å
252Y91.3Very high75.5Confident25 Ų2577.5 Ų77.510%0.09843%0.425CS..EExtended strand (participates in β ladder)trans-114.2140.3179.8-63.9-81.6000109.8L219 Y221 E250 V266 Y267 D268L219-Y252 PolarHBondContact N-O 2.95Å; L219-Y252 PolarHBondContact O-N 2.68Å; Y221-Y252 AromaticContact CD2-CD2 3.9Å; Y221-Y252 HydrophobicContact CD2-CD2 3.9Å; Y221-Y252 HydrophobicContact CD2-CE2 4.15Å; E250-Y252 HydrophobicContact CB-CD2 4.3Å; E250-Y252 HydrophobicContact CB-CE2 3.46Å; E250-Y252 VanDerWaalsContact CB-CE2 3.46Å; E250-Y252 PolarHBondContact OE2-OH 3.34Å; Y252-V266 HydrophobicContact CD1-CB 4.38Å; Y252-V266 HydrophobicContact CD1-CG2 3.93Å; Y252-V266 HydrophobicContact CG-CG2 4.42Å; Y252-Y267 WeakPolarHBondContact CA-O 3.43Å; Y252-D268 HydrophobicContact CD1-CB 3.99Å; Y252-D268 HydrophobicContact CE1-CB 3.83Å; Y252-D268 VanDerWaalsContact CE1-CG 3.45Å
253H92.1Very high78.2Confident39 Ų3979.2 Ų79.218%0.18142%0.42CS..EExtended strand (participates in β ladder)trans-111129.7175.9-57.691.1000109.5V213 V266 Y267V213-H253 HydrophobicContact CG1-CB 3.81Å; H253-V266 CarbonylContact O-C 3.48Å; H253-V266 WeakPolarHBondContact O-CA 3.4Å; H253-Y267 PolarHBondContact N-O 3Å; H253-Y267 PolarHBondContact O-N 3.28Å
254P94.3Very high80.8Confident4 Ų473.3 Ų73.33%0.02638%0.382CS..EExtended strand (participates in β ladder)trans-66.8144.2-179.723.8-28000111.6N214 E217 L219 E263N214-P254 HydrophobicContact CB-CG 4.26Å; N214-P254 PolarHBondContact N-O 2.85Å; E217-P254 HydrophobicContact CB-CG 3.9Å; E217-P254 HydrophobicContact CG-CG 4.08Å; E217-P254 WeakPolarHBondContact O-CD 3.42Å; L219-P254 HydrophobicContact CD1-CB 4.26Å; L219-P254 HydrophobicContact CD1-CG 4.46Å; P254-E263 HydrophobicContact CB-CG 4.45Å
255V95.2Very high83.3Confident0 Ų067.1 Ų67.10%034%0.344CS..EExtended strand (participates in β ladder)trans-118.8122.6-178.3-1750000108.7C211 S212 V213 V264 A265 F273C211-V255 HydrophobicContact CB-CG1 3.75Å; S212-V255 CarbonylContact O-C 3.57Å; S212-V255 WeakPolarHBondContact O-CA 3.39Å; V213-V255 HydrophobicContact CG1-CG2 4.47Å; V213-V255 HydrophobicContact CG2-CG2 4.13Å; V255-V264 WeakPolarHBondContact O-CG2 3.17Å; V255-V264 PolarHBondContact O-N 3.13Å; V255-A265 WeakPolarHBondContact CA-O 3.41Å; V255-A265 HydrophobicContact CB-CB 3.82Å; V255-A265 WeakPolarHBondContact CB-O 3.47Å; V255-A265 HydrophobicContact CG1-CB 4.33Å; V255-A265 HydrophobicContact CG2-CB 4.27Å; V255-A265 PolarHBondContact N-O 3.11Å; V255-A265 PolarHBondContact O-N 3.22Å; V255-F273 HydrophobicContact CG1-CD1 4.17Å; V255-F273 HydrophobicContact CG1-CE1 4.18Å; V255-F273 HydrophobicContact CG2-CD1 3.92Å; V255-F273 HydrophobicContact CG2-CE1 4.07Å
256M95.4Very high85.8Confident61 Ų6159.7 Ų59.730%0.331%0.31SS..EExtended strand (participates in β ladder)trans-113144-176.1-58-175.9-59.800110.8C211 S212 N214 T262C211-M256 CarbonylContact C-O 3.54Å; C211-M256 WeakPolarHBondContact CA-O 3.34Å; S212-M256 PolarHBondContact N-O 3.25Å; S212-M256 PolarHBondContact O-N 3.47Å; S212-M256 PolarHBondContact OG-O 2.98Å; S212-M256 VanDerWaalsContact OG-O 3.07Å; N214-M256 HydrophobicContact CB-CE 4.34Å; M256-T262 CarbonylContact C-O 3.57Å; M256-T262 VanDerWaalsContact CA-O 3.29Å; M256-T262 WeakPolarHBondContact CA-O 3.45Å
257C96.5Very high88.2Confident1 Ų155.6 Ų55.61%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-62.3135.6170.3-179.40000110.5L189 N210 E259 S261 T262 V264L189-C257 HydrophobicContact CD2-CB 4.27Å; N210-C257 WeakPolarHBondContact O-CA 3.42Å; C257-E259 VanDerWaalsContact C-N 3.3Å; C257-E259 PolarHBondContact O-N 3.27Å; C257-S261 WeakPolarHBondContact O-CA 3.42Å; C257-S261 PolarHBondContact O-N 3.39Å; C257-T262 PolarHBondContact N-O 3.19Å; C257-V264 HydrophobicContact CB-CG1 4.47Å
258T96.1Very high90.1Very high72 Ų7249.5 Ų49.544%0.44225%0.254SS..THydrogen-bonded Turntrans-68.2-29.5179.650.70000113.1N210N210-T258 VanDerWaalsContact C-OG1 3.28Å; N210-T258 VanDerWaalsContact CA-OG1 3.25Å; N210-T258 WeakPolarHBondContact CA-OG1 3.47Å; N210-T258 PolarHBondContact O-N 3.01Å; N210-T258 PolarHBondContact O-OG1 3.36Å
259E95.3Very high91.5Very high116 Ų11646.3 Ų46.354%0.54224%0.237SC..THydrogen-bonded Turntrans-81.5-41.4-174.3-52.3-51.9140.500112.6T187 N210 C257T187-E259 HydrophobicContact CG2-CG 3.89Å; N210-E259 PolarHBondContact ND2-OE1 3.18Å; C257-E259 VanDerWaalsContact C-N 3.3Å; C257-E259 PolarHBondContact O-N 3.27Å
260C95.3Very high92.5Very high37 Ų3747.8 Ų47.825%0.2525%0.248CC..THydrogen-bonded Turntrans-126.46.1-171.768.50000114.2C182 A184 C185 T262C182-C260 PolarHBondContact SG-SG 3.49Å; A184-C260 HydrophobicContact CB-CB 4.49Å; C185-C260 HydrophobicContact CB-CB 4.01Å; C260-T262 PolarHBondContact O-N 2.98Å; C260-T262 PolarHBondContact SG-OG1 2.99Å
261S94.3Very high93.2Very high89 Ų8949.5 Ų49.562%0.62226%0.256SS*.  trans56.815.7178.462.90000115.8C257C257-S261 WeakPolarHBondContact O-CA 3.42Å; C257-S261 PolarHBondContact O-N 3.39Å
262T94.9Very high93.4Very high36 Ų3648.8 Ų48.822%0.22125%0.254CS..  trans-73.2134.9177.4-54.50000110.4P183 A184 M256 C257 C260 V264P183-T262 HydrophobicContact CG-CG2 4.32Å; A184-T262 HydrophobicContact CB-CG2 4.48Å; A184-T262 WeakPolarHBondContact CB-OG1 3.49Å; M256-T262 CarbonylContact C-O 3.57Å; M256-T262 VanDerWaalsContact CA-O 3.29Å; M256-T262 WeakPolarHBondContact CA-O 3.45Å; C257-T262 PolarHBondContact N-O 3.19Å; C260-T262 PolarHBondContact O-N 2.98Å; C260-T262 PolarHBondContact SG-OG1 2.99Å; T262-V264 PolarHBondContact O-N 2.92Å
263E94.8Very high93.6Very high86 Ų8648.6 Ų48.640%0.40225%0.254SS..EExtended strand (participates in β ladder)trans-69.6120.6172-170.9-175.8173.400110.3P254 F276 N277P254-E263 HydrophobicContact CB-CG 4.45Å; E263-F276 HydrophobicContact CG-CZ 4.4Å; E263-N277 PolarHBondContact O-ND2 3.06Å; E263-N277 VanDerWaalsContact O-ND2 3.1Å
264V94.8Very high93.7Very high0 Ų048.1 Ų48.10%025%0.251CS..EExtended strand (participates in β ladder)trans-122.1-27.5-171.3-70.70000112.7L189 V255 C257 T262 F275 F276 N277 V278L189-V264 HydrophobicContact CD1-CB 3.9Å; L189-V264 HydrophobicContact CD1-CG1 3.81Å; L189-V264 HydrophobicContact CD1-CG2 3.98Å; V255-V264 WeakPolarHBondContact O-CG2 3.17Å; V255-V264 PolarHBondContact O-N 3.13Å; C257-V264 HydrophobicContact CB-CG1 4.47Å; T262-V264 PolarHBondContact O-N 2.92Å; V264-F275 HydrophobicContact CB-CD1 4.42Å; V264-F275 HydrophobicContact CG2-CE1 4.2Å; V264-F276 PolarHBondContact O-N 2.75Å; V264-N277 PolarHBondContact O-N 3.45Å; V264-V278 HydrophobicContact CB-CG1 4.23Å
265A94.8Very high93.7Very high0 Ų048 Ų480%025%0.25CS..EExtended strand (participates in β ladder)trans-152.6172.4-174.300000112.1V255 H274 F275V255-A265 WeakPolarHBondContact CA-O 3.41Å; V255-A265 HydrophobicContact CB-CB 3.82Å; V255-A265 WeakPolarHBondContact CB-O 3.47Å; V255-A265 HydrophobicContact CG1-CB 4.33Å; V255-A265 HydrophobicContact CG2-CB 4.27Å; V255-A265 PolarHBondContact N-O 3.11Å; V255-A265 PolarHBondContact O-N 3.22Å; A265-H274 CarbonylContact C-O 3.59Å; A265-H274 WeakPolarHBondContact CA-O 3.26Å; A265-H274 WeakPolarHBondContact CB-O 3.2Å; A265-F275 HydrophobicContact CB-CB 4.41Å; A265-F275 HydrophobicContact CB-CD1 3.38Å; A265-F275 HydrophobicContact CB-CD2 4.35Å; A265-F275 HydrophobicContact CB-CE1 3.64Å; A265-F275 HydrophobicContact CB-CG 3.8Å; A265-F275 HydrophobicContact CB-CZ 4.22Å
266V94Very high93.6Very high13 Ų1352.2 Ų52.28%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-119.1154.8160.9-69.70000110.6L219 Y252 H253 F273 H274 F276L219-V266 HydrophobicContact CD1-CG1 3.91Å; Y252-V266 HydrophobicContact CD1-CB 4.38Å; Y252-V266 HydrophobicContact CD1-CG2 3.93Å; Y252-V266 HydrophobicContact CG-CG2 4.42Å; H253-V266 CarbonylContact O-C 3.48Å; H253-V266 WeakPolarHBondContact O-CA 3.4Å; V266-F273 WeakPolarHBondContact O-CA 3.42Å; V266-H274 HydrophobicContact CG2-CB 3.88Å; V266-H274 PolarHBondContact N-O 3.03Å; V266-H274 PolarHBondContact O-N 3.1Å; V266-F276 HydrophobicContact CG1-CE1 4Å; V266-F276 HydrophobicContact CG2-CE1 4.48Å
267Y94.1Very high93.3Very high31 Ų3152.7 Ų52.712%0.12227%0.273CS..EExtended strand (participates in β ladder)trans-116.6125179.2-177.5-107000110.3V213 Y252 H253 E271 F273V213-Y267 HydrophobicContact CG1-CD1 4.14Å; V213-Y267 HydrophobicContact CG1-CG 4.27Å; V213-Y267 HydrophobicContact CG2-CG 4.48Å; Y252-Y267 WeakPolarHBondContact CA-O 3.43Å; H253-Y267 PolarHBondContact N-O 3Å; H253-Y267 PolarHBondContact O-N 3.28Å; Y267-E271 VanDerWaalsContact CE2-C 3.46Å; Y267-E271 HydrophobicContact CE2-CB 4.27Å; Y267-E271 WeakPolarHBondContact OH-CA 3.28Å; Y267-E271 VanDerWaalsContact OH-CB 3.26Å; Y267-E271 WeakPolarHBondContact OH-CB 3.36Å; Y267-E271 WeakPolarHBondContact OH-CG 3.28Å; Y267-F273 AromaticContact CD2-CD1 3.83Å; Y267-F273 HydrophobicContact CD2-CD1 3.83Å; Y267-F273 AromaticContact CD2-CD2 3.97Å; Y267-F273 HydrophobicContact CD2-CD2 3.97Å; Y267-F273 AromaticContact CD2-CE1 3.57Å; Y267-F273 HydrophobicContact CD2-CE1 3.57Å; Y267-F273 AromaticContact CD2-CE2 3.73Å; Y267-F273 HydrophobicContact CD2-CE2 3.73Å; Y267-F273 HydrophobicContact CD2-CG 4.01Å; Y267-F273 AromaticContact CD2-CZ 3.51Å; Y267-F273 HydrophobicContact CD2-CZ 3.51Å; Y267-F273 HydrophobicContact CE2-CD2 4.13Å; Y267-F273 HydrophobicContact CE2-CE1 4.18Å; Y267-F273 AromaticContact CE2-CE2 3.61Å; Y267-F273 HydrophobicContact CE2-CE2 3.61Å; Y267-F273 AromaticContact CE2-CZ 3.63Å; Y267-F273 HydrophobicContact CE2-CZ 3.63Å; Y267-F273 HydrophobicContact CG-CE1 4.28Å; Y267-F273 HydrophobicContact CG-CZ 4.5Å
268D91.4Very high93.2Very high16 Ų1653.7 Ų53.79%0.08628%0.279CS..  trans-96173.2-174.9-161.3-0.5000112.4Y252 D270 E271 V272 H274Y252-D268 HydrophobicContact CD1-CB 3.99Å; Y252-D268 HydrophobicContact CE1-CB 3.83Å; Y252-D268 VanDerWaalsContact CE1-CG 3.45Å; D268-D270 VanDerWaalsContact C-N 3.28Å; D268-D270 PolarHBondContact O-N 3.27Å; D268-E271 PolarHBondContact O-N 2.91Å; D268-V272 PolarHBondContact N-O 3.43Å; D268-H274 IonicContact OD2-CE1 3.92Å
269K87.3Confident93.1Very high102 Ų10253.7 Ų53.744%0.44328%0.276SS..THydrogen-bonded Turntrans-65.1-29.2176.1-64.1-179.2-173.3170.40113.4E249 E271E249-K269 WeakPolarHBondContact O-CE 3.2Å; E249-K269 PolarHBondContact O-NZ 2.99Å; K269-E271 PolarHBondContact O-N 2.98Å; K269-E271 VanDerWaalsContact O-N 3.15Å
270D87.5Confident93.1Very high130 Ų13049.9 Ų49.970%0.69526%0.264SS*.THydrogen-bonded Turntrans-77.212.3177.3-65.9-25.1000112.9D268 V272D268-D270 VanDerWaalsContact C-N 3.28Å; D268-D270 PolarHBondContact O-N 3.27Å; D270-V272 HydrophobicContact CB-CG2 4.25Å; D270-V272 PolarHBondContact O-N 3.45Å
271E90.1Very high92.9Very high138 Ų13851.2 Ų51.265%0.64527%0.274SS*.SBendtrans61.525.2-178.3-50.1-172.7139.300114.1Y267 D268 K269Y267-E271 VanDerWaalsContact CE2-C 3.46Å; Y267-E271 HydrophobicContact CE2-CB 4.27Å; Y267-E271 WeakPolarHBondContact OH-CA 3.28Å; Y267-E271 VanDerWaalsContact OH-CB 3.26Å; Y267-E271 WeakPolarHBondContact OH-CB 3.36Å; Y267-E271 WeakPolarHBondContact OH-CG 3.28Å; D268-E271 PolarHBondContact O-N 2.91Å; K269-E271 PolarHBondContact O-N 2.98Å; K269-E271 VanDerWaalsContact O-N 3.15Å
272V92.4Very high92.6Very high28 Ų2852.1 Ų52.117%0.1727%0.268CS..  trans-101.5139.8178.4-177.90000110.8R204 D268 D270 H274R204-V272 HydrophobicContact CB-CG1 4.2Å; R204-V272 HydrophobicContact CG-CG1 4.4Å; D268-V272 PolarHBondContact N-O 3.43Å; D270-V272 HydrophobicContact CB-CG2 4.25Å; D270-V272 PolarHBondContact O-N 3.45Å; V272-H274 PolarHBondContact O-ND1 3.41Å
273F94.4Very high91.3Very high21 Ų2159.3 Ų59.39%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-94.5127172.3-64-95.4000110.6R204 A205 V208 V213 V255 V266 Y267 F275R204-F273 CarbonylContact C-O 3.57Å; R204-F273 VanDerWaalsContact CA-O 3.29Å; R204-F273 WeakPolarHBondContact CA-O 3.26Å; A205-F273 PolarHBondContact N-O 3.38Å; A205-F273 WeakPolarHBondContact O-CB 3.4Å; A205-F273 PolarHBondContact O-N 3.22Å; V208-F273 HydrophobicContact CG1-CB 3.96Å; V208-F273 HydrophobicContact CG1-CD1 3.9Å; V208-F273 HydrophobicContact CG1-CD2 3.68Å; V208-F273 HydrophobicContact CG1-CE1 4.33Å; V208-F273 HydrophobicContact CG1-CE2 4.13Å; V208-F273 HydrophobicContact CG1-CG 3.56Å; V208-F273 HydrophobicContact CG1-CZ 4.44Å; V208-F273 HydrophobicContact CG2-CD1 4.05Å; V208-F273 HydrophobicContact CG2-CD2 4.22Å; V208-F273 HydrophobicContact CG2-CE1 3.64Å; V208-F273 HydrophobicContact CG2-CE2 3.81Å; V208-F273 HydrophobicContact CG2-CG 4.34Å; V208-F273 HydrophobicContact CG2-CZ 3.51Å; V213-F273 HydrophobicContact CG2-CE1 3.8Å; V213-F273 HydrophobicContact CG2-CZ 4.26Å; V255-F273 HydrophobicContact CG1-CD1 4.17Å; V255-F273 HydrophobicContact CG1-CE1 4.18Å; V255-F273 HydrophobicContact CG2-CD1 3.92Å; V255-F273 HydrophobicContact CG2-CE1 4.07Å; V266-F273 WeakPolarHBondContact O-CA 3.42Å; Y267-F273 AromaticContact CD2-CD1 3.83Å; Y267-F273 HydrophobicContact CD2-CD1 3.83Å; Y267-F273 AromaticContact CD2-CD2 3.97Å; Y267-F273 HydrophobicContact CD2-CD2 3.97Å; Y267-F273 AromaticContact CD2-CE1 3.57Å; Y267-F273 HydrophobicContact CD2-CE1 3.57Å; Y267-F273 AromaticContact CD2-CE2 3.73Å; Y267-F273 HydrophobicContact CD2-CE2 3.73Å; Y267-F273 HydrophobicContact CD2-CG 4.01Å; Y267-F273 AromaticContact CD2-CZ 3.51Å; Y267-F273 HydrophobicContact CD2-CZ 3.51Å; Y267-F273 HydrophobicContact CE2-CD2 4.13Å; Y267-F273 HydrophobicContact CE2-CE1 4.18Å; Y267-F273 AromaticContact CE2-CE2 3.61Å; Y267-F273 HydrophobicContact CE2-CE2 3.61Å; Y267-F273 AromaticContact CE2-CZ 3.63Å; Y267-F273 HydrophobicContact CE2-CZ 3.63Å; Y267-F273 HydrophobicContact CG-CE1 4.28Å; Y267-F273 HydrophobicContact CG-CZ 4.5Å; F273-F275 HydrophobicContact CB-CD2 4.34Å; F273-F275 HydrophobicContact CB-CE2 3.81Å; F273-F275 HydrophobicContact CB-CZ 4.42Å
274H94.1Very high91.1Very high29 Ų2958 Ų5813%0.13432%0.316CS..EExtended strand (participates in β ladder)trans-110.7104.6176.2-57.163.9000109.5R204 A265 V266 D268 V272R204-H274 PolarHBondContact NE-NE2 3.02Å; R204-H274 PolarHBondContact NH2-NE2 3Å; R204-H274 VanDerWaalsContact NH2-NE2 3.11Å; A265-H274 CarbonylContact C-O 3.59Å; A265-H274 WeakPolarHBondContact CA-O 3.26Å; A265-H274 WeakPolarHBondContact CB-O 3.2Å; V266-H274 HydrophobicContact CG2-CB 3.88Å; V266-H274 PolarHBondContact N-O 3.03Å; V266-H274 PolarHBondContact O-N 3.1Å; D268-H274 IonicContact OD2-CE1 3.92Å; V272-H274 PolarHBondContact O-ND1 3.41Å
275F95.3Very high90.9Very high1 Ų161.1 Ų61.10%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-87135.8178.2-68.8-85.3000111.2L180 L189 C190 Q202 Y203 A205 V208 V264 A265 F273 V278L180-F275 HydrophobicContact CD1-CB 4.12Å; L180-F275 HydrophobicContact CD1-CD1 4.45Å; L180-F275 HydrophobicContact CD1-CD2 3.62Å; L180-F275 HydrophobicContact CD1-CE2 4.08Å; L180-F275 HydrophobicContact CD1-CG 3.81Å; L189-F275 HydrophobicContact CB-CE1 4.28Å; L189-F275 HydrophobicContact CD1-CE1 4.24Å; C190-F275 HydrophobicContact CB-CE2 4.45Å; Q202-F275 WeakPolarHBondContact CA-O 3.49Å; Q202-F275 WeakPolarHBondContact CB-O 3.08Å; Y203-F275 PolarHBondContact N-O 2.87Å; Y203-F275 PolarHBondContact O-N 3.27Å; A205-F275 HydrophobicContact CB-CD2 4.43Å; A205-F275 HydrophobicContact CB-CE2 3.97Å; V208-F275 HydrophobicContact CB-CZ 4.35Å; V208-F275 HydrophobicContact CG1-CE2 3.66Å; V208-F275 HydrophobicContact CG1-CZ 3.49Å; V208-F275 VanDerWaalsContact CG1-CZ 3.49Å; V264-F275 HydrophobicContact CB-CD1 4.42Å; V264-F275 HydrophobicContact CG2-CE1 4.2Å; A265-F275 HydrophobicContact CB-CB 4.41Å; A265-F275 HydrophobicContact CB-CD1 3.38Å; A265-F275 HydrophobicContact CB-CD2 4.35Å; A265-F275 HydrophobicContact CB-CE1 3.64Å; A265-F275 HydrophobicContact CB-CG 3.8Å; A265-F275 HydrophobicContact CB-CZ 4.22Å; F273-F275 HydrophobicContact CB-CD2 4.34Å; F273-F275 HydrophobicContact CB-CE2 3.81Å; F273-F275 HydrophobicContact CB-CZ 4.42Å; F275-V278 HydrophobicContact CB-CG1 3.95Å; F275-V278 HydrophobicContact CB-CG2 3.89Å; F275-V278 HydrophobicContact CD1-CG1 3.43Å; F275-V278 VanDerWaalsContact CD1-CG1 3.43Å; F275-V278 HydrophobicContact CE1-CG1 4.25Å; F275-V278 HydrophobicContact CG-CG1 4.05Å
276F92.8Very high90.7Very high89 Ų8964.4 Ų64.439%0.3935%0.351SS..  trans-137.3-18177.655.1-89.4000113.6Q202 E263 V264 V266Q202-F276 HydrophobicContact CG-CB 4.14Å; E263-F276 HydrophobicContact CG-CZ 4.4Å; V264-F276 PolarHBondContact O-N 2.75Å; V266-F276 HydrophobicContact CG1-CE1 4Å; V266-F276 HydrophobicContact CG2-CE1 4.48Å
277N89.6Confident90.5Very high72 Ų7267.5 Ų67.539%0.38537%0.367SS..SBendtrans-12167.6178-172.232.7000110P183 E263 V264P183-N277 VanDerWaalsContact CD-O 3.29Å; P183-N277 WeakPolarHBondContact CD-O 3.37Å; P183-N277 WeakPolarHBondContact CG-O 3.28Å; E263-N277 PolarHBondContact O-ND2 3.06Å; E263-N277 VanDerWaalsContact O-ND2 3.1Å; V264-N277 PolarHBondContact O-N 3.45Å
278V93.6Very high90.2Very high22 Ų2269.8 Ų69.813%0.13338%0.382CS..  trans-138.2155.8-175.8-67.60000112L180 L189 Y203 V264 F275L180-V278 HydrophobicContact CB-CB 4.49Å; L180-V278 HydrophobicContact CD1-CG2 4.43Å; L180-V278 HydrophobicContact CD2-CG2 4.08Å; L189-V278 HydrophobicContact CD1-CG1 4.03Å; Y203-V278 HydrophobicContact CD2-CG2 4.05Å; V264-V278 HydrophobicContact CB-CG1 4.23Å; F275-V278 HydrophobicContact CB-CG1 3.95Å; F275-V278 HydrophobicContact CB-CG2 3.89Å; F275-V278 HydrophobicContact CD1-CG1 3.43Å; F275-V278 VanDerWaalsContact CD1-CG1 3.43Å; F275-V278 HydrophobicContact CE1-CG1 4.25Å; F275-V278 HydrophobicContact CG-CG1 4.05Å
279L94.6Very high90.2Very high72 Ų7273.3 Ų73.338%0.37740%0.402SS..EExtended strand (participates in β ladder)trans-96.4121.3170.9-61.6174.9000108.8N181 P183 M186N181-L279 HydrophobicContact CB-CB 4.35Å; N181-L279 PolarHBondContact N-O 2.83Å; N181-L279 PolarHBondContact O-N 2.72Å; P183-L279 HydrophobicContact CB-CG 4.32Å; M186-L279 HydrophobicContact CE-CD1 3.27Å; M186-L279 HydrophobicContact SD-CD1 3.33Å; M186-L279 WeakPolarHBondContact SD-CD1 3.28Å
280A94.6Very high90.4Very high36 Ų3671.3 Ų71.330%0.29840%0.399SS..EExtended strand (participates in β ladder)trans-101.4124.2-179.300000110.6A178 V179 L180 Y203A178-A280 HydrophobicContact CB-CB 4.03Å; V179-A280 WeakPolarHBondContact O-CA 3.3Å; L180-A280 HydrophobicContact CD2-CB 4.08Å; Y203-A280 HydrophobicContact CE1-CB 4.47Å; Y203-A280 HydrophobicContact CE2-CB 3.68Å; Y203-A280 VanDerWaalsContact OH-CB 3.22Å; Y203-A280 WeakPolarHBondContact OH-CB 3.1Å
281S91.5Very high90.6Very high64 Ų6466.8 Ų66.845%0.44838%0.376SS..EExtended strand (participates in β ladder)trans-101.6121.5171.1-620000108.9A178 V179 N181A178-S281 WeakPolarHBondContact CA-O 3.37Å; V179-S281 PolarHBondContact N-O 3.36Å; V179-S281 PolarHBondContact O-N 3.12Å; N181-S281 PolarHBondContact ND2-OG 3.41Å
282H87.8Confident90.6Very high108 Ų10860.8 Ų60.850%0.535%0.354SS..PPolyproline II helixtrans-102.2138.7176-59.3-74.2000109.4D177 Y203D177-H282 PolarHBondContact O-ND1 3.33Å; Y203-H282 PolarHBondContact OH-CE1 2.91Å; Y203-H282 PolarHBondContact OH-NE2 3.07Å
283S66.9Low90.5Very high188 Ų18863.8 Ų63.8100%1.31537%0.371SS*.  trans-97.5017462.20000111.6

Retrieved 283 of 283 residues in 185.2 ms (Link to these results)