A0A077YY20_TRITR Loading...

Ribosomal S9 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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
1M56.9Low69.8Low248 Ų248126.4 Ų126.4100%1.22265%0.652SS**  0128.50-74.3174.416100108.2
2I65Low69.4Low115 Ų115125.2 Ų125.259%0.5966%0.655SS**  trans-73.1132-176.1-62.6170.2000109M6 V7I2-M6 HydrophobicContact CG2-CB 3.53Å; I2-M6 HydrophobicContact CG2-CG 3.62Å; I2-V7 HydrophobicContact CG2-CG2 4.07Å
3S77.2Confident67.2Low72 Ų72119 Ų11950%0.50363%0.633SS.*  trans-64.1151.3-177760000112A5 M6 V7S3-A5 PolarHBondContact O-N 3.35Å; S3-M6 WeakPolarHBondContact O-CB 3.13Å; S3-M6 PolarHBondContact O-N 3.13Å; S3-M6 WeakPolarHBondContact OG-CB 3.5Å; S3-M6 PolarHBondContact OG-N 3.17Å; S3-V7 PolarHBondContact O-N 2.69Å
4K81.4Confident65.8Low194 Ų194119.1 Ų119.184%0.84364%0.644SS**Hα-helixtrans-55.5-35.1177.8-83.7179.4177.5174.60112.7V7 A8K4-V7 PolarHBondContact O-N 3.45Å; K4-A8 PolarHBondContact O-N 3.47Å
5A76.1Confident64.3Low76 Ų76125.3 Ų125.363%0.62866%0.655SS**Hα-helixtrans-64.8-40.7175.400000111.9S3 A8 Y9S3-A5 PolarHBondContact O-N 3.35Å; A5-A8 PolarHBondContact O-N 3.06Å; A5-Y9 PolarHBondContact O-N 2.99Å
6M62Low62.6Low112 Ų112128.9 Ų128.955%0.55267%0.668SS**Hα-helixtrans-71.2-31.6178-164.4116.6151.200112I2 S3 L10I2-M6 HydrophobicContact CG2-CB 3.53Å; I2-M6 HydrophobicContact CG2-CG 3.62Å; S3-M6 WeakPolarHBondContact O-CB 3.13Å; S3-M6 PolarHBondContact O-N 3.13Å; S3-M6 WeakPolarHBondContact OG-CB 3.5Å; S3-M6 PolarHBondContact OG-N 3.17Å; M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 VanDerWaalsContact O-CG 3.27Å; M6-L10 WeakPolarHBondContact O-CG 3.22Å; M6-L10 PolarHBondContact O-N 3.16Å; M6-L10 VanDerWaalsContact O-N 3.08Å
7V74.2Confident61.1Low62 Ų62134.4 Ų134.438%0.37668%0.679SS.*Hα-helixtrans-67.3-37.9170.4176.10000111.8I2 S3 K4 K11I2-V7 HydrophobicContact CG2-CG2 4.07Å; S3-V7 PolarHBondContact O-N 2.69Å; K4-V7 PolarHBondContact O-N 3.45Å; V7-K11 WeakPolarHBondContact O-CG 3.28Å; V7-K11 PolarHBondContact O-N 3.46Å
8A75.2Confident59.8Low54 Ų54132 Ų13245%0.44667%0.669SS.*Hα-helixtrans-67.4-42.7175.800000111.7K4 A5 L10 K11 T12K4-A8 PolarHBondContact O-N 3.47Å; A5-A8 PolarHBondContact O-N 3.06Å; A8-L10 PolarHBondContact O-N 3Å; A8-K11 PolarHBondContact O-N 3.42Å; A8-K11 VanDerWaalsContact O-N 3.16Å; A8-T12 PolarHBondContact O-N 3.24Å; A8-T12 PolarHBondContact O-OG1 3.34Å
9Y66.8Low58.7Low169 Ų169128.3 Ų128.366%0.66367%0.667SS**Hα-helixtrans-61.2-42.1176.4-174.7-98.4000112.7A5 K11 T12 A13A5-Y9 PolarHBondContact O-N 2.99Å; Y9-K11 VanDerWaalsContact C-N 3.26Å; Y9-K11 PolarHBondContact O-N 2.91Å; Y9-T12 PolarHBondContact O-N 2.96Å; Y9-T12 PolarHBondContact O-OG1 3.02Å; Y9-T12 VanDerWaalsContact O-OG1 3.1Å; Y9-A13 PolarHBondContact O-N 3.25Å
10L65.5Low57.8Low114 Ų114128.2 Ų128.260%0.59766%0.658SS**Hα-helixtrans-67.5-22.8176.6-72.8170.2000113.5M6 A8M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 VanDerWaalsContact O-CG 3.27Å; M6-L10 WeakPolarHBondContact O-CG 3.22Å; M6-L10 PolarHBondContact O-N 3.16Å; M6-L10 VanDerWaalsContact O-N 3.08Å; A8-L10 PolarHBondContact O-N 3Å
11K67.7Low57.1Low174 Ų174130.4 Ų130.476%0.75767%0.665SS**Hα-helixtrans-82.1-21.8176-75.7179.1178.9-173.40113.5V7 A8 Y9V7-K11 WeakPolarHBondContact O-CG 3.28Å; V7-K11 PolarHBondContact O-N 3.46Å; A8-K11 PolarHBondContact O-N 3.42Å; A8-K11 VanDerWaalsContact O-N 3.16Å; Y9-K11 VanDerWaalsContact C-N 3.26Å; Y9-K11 PolarHBondContact O-N 2.91Å
12T64.4Low56.5Low112 Ų112129.5 Ų129.569%0.68765%0.648SS**Hα-helixtrans-100.8-7.4-177.548.30000114.2A8 Y9A8-T12 PolarHBondContact O-N 3.24Å; A8-T12 PolarHBondContact O-OG1 3.34Å; Y9-T12 PolarHBondContact O-N 2.96Å; Y9-T12 PolarHBondContact O-OG1 3.02Å; Y9-T12 VanDerWaalsContact O-OG1 3.1Å
13A41.4Very low55.4Low45 Ų45134.7 Ų134.737%0.37266%0.66SS.*  trans-72.3127.9-178.800000111.6Y9 W15Y9-A13 PolarHBondContact O-N 3.25Å; A13-W15 PolarHBondContact O-N 2.96Å
14P48Very low54Low121 Ų121136 Ų13679%0.78667%0.665SS**SBendtrans-74.6-2.5-179.127.6-30.4000113.7
15W42Very low52.5Low211 Ų211129.4 Ų129.480%0.79964%0.643SS**SBendtrans-126.3110.2178.4-60.293000109.1A13 Y17A13-W15 PolarHBondContact O-N 2.96Å; W15-Y17 PolarHBondContact O-N 3.06Å
16Q38.4Very low51.7Low184 Ų184131.3 Ų131.386%0.8664%0.642SS**  trans-69.8114.2167.9-150.2157.1-12.900107.1D18Q16-D18 PolarHBondContact O-N 3.46Å
17Y35.8Very low51.2Low222 Ų222131.1 Ų131.187%0.87164%0.643SS**  trans-62.697.2176-165.2-90.5000108.6W15 G19W15-Y17 PolarHBondContact O-N 3.06Å; Y17-G19 PolarHBondContact O-N 3.47Å; Y17-G19 VanDerWaalsContact O-N 3.12Å
18D38.1Very low50.1Low91 Ų91129.9 Ų129.949%0.48764%0.639SS.*  trans-68.3107.5168.3-86-29.2000107.9Q16 R20Q16-D18 PolarHBondContact O-N 3.46Å; D18-R20 HydrophobicContact CB-CG 4.14Å; D18-R20 PolarHBondContact O-N 3.36Å; D18-R20 IonicContact OD2-CZ 3.33Å; D18-R20 IonicContact OD2-NE 3.31Å; D18-R20 PolarHBondContact OD2-NE 3.21Å; D18-R20 IonicContact OD2-NH2 2.74Å; D18-R20 PolarHBondContact OD2-NH2 3.38Å
19G39.1Very low49.3Very low62 Ų62134.1 Ų134.164%0.63965%0.649SS**  trans-6551167.500000113.1Y17 H21Y17-G19 PolarHBondContact O-N 3.47Å; Y17-G19 VanDerWaalsContact O-N 3.12Å; G19-H21 PolarHBondContact O-N 3.06Å; G19-H21 VanDerWaalsContact O-N 3.09Å
20R41.4Very low48.9Very low126 Ų126132.5 Ų132.548%0.47565%0.652SS.*THydrogen-bonded Turntrans-77.288.3175-86.2-178.4-80.2174.8-11.4108.7D18 F65D18-R20 HydrophobicContact CB-CG 4.14Å; D18-R20 PolarHBondContact O-N 3.36Å; D18-R20 IonicContact OD2-CZ 3.33Å; D18-R20 IonicContact OD2-NE 3.31Å; D18-R20 PolarHBondContact OD2-NE 3.21Å; D18-R20 IonicContact OD2-NH2 2.74Å; D18-R20 PolarHBondContact OD2-NH2 3.38Å; R20-F65 VanDerWaalsContact CZ-CD2 3.42Å; R20-F65 VanDerWaalsContact NH2-CZ 3.32Å
21H42.6Very low48.3Very low175 Ų175133.7 Ų133.781%0.8165%0.652SS**THydrogen-bonded Turntrans179.224137.7-91.3-49.4000114.9G19G19-H21 PolarHBondContact O-N 3.06Å; G19-H21 VanDerWaalsContact O-N 3.09Å
22R43.9Very low47.3Very low228 Ų228129.8 Ų129.886%0.8665%0.653SS**SBendtrans-118.6-13.3168.2-73-163.8-170.8-166.74.3116.4
23R42.2Very low46.2Very low224 Ų224131.8 Ų131.885%0.84566%0.658SS**THydrogen-bonded Turntrans-91.8-3.6-173.3-71.1-173.2179160.40.1115.7
24T48.2Very low46.2Very low99 Ų99133.9 Ų133.961%0.60768%0.676SS**Hα-helixtrans-83.9-5.8176.148.20000113.6A28T24-A28 WeakPolarHBondContact O-CB 3.4Å; T24-A28 PolarHBondContact O-N 3.47Å
25S49.6Very low45.7Very low56 Ų56136.7 Ų136.739%0.39268%0.676SS.*Hα-helixtrans-73-41.8178.979.30000112.5A28 Q29S25-A28 PolarHBondContact O-N 2.9Å; S25-Q29 WeakPolarHBondContact O-CA 3.41Å; S25-Q29 WeakPolarHBondContact O-CB 3.08Å; S25-Q29 VanDerWaalsContact O-CD 3.26Å; S25-Q29 WeakPolarHBondContact O-CG 3.06Å; S25-Q29 PolarHBondContact O-N 3.47Å
26I58.5Low45.5Very low116 Ų116134.6 Ų134.660%0.59567%0.672SS**Hα-helixtrans-71-42.2-175.6-63.1166.5000111.3Q29 L30I26-Q29 PolarHBondContact O-N 3.47Å; I26-L30 HydrophobicContact CG2-CD1 4.5Å; I26-L30 WeakPolarHBondContact O-CB 3.33Å; I26-L30 PolarHBondContact O-N 3.43Å
27L52.1Low45.6Very low109 Ų109131.3 Ų131.357%0.57167%0.667SS**Hα-helixtrans-70.7-33.5175.2-91.9164.4000112.6F31L27-F31 PolarHBondContact O-N 3.42Å
28A51.9Low46.1Very low36 Ų36127.9 Ų127.930%0.29866%0.663SS.*Hα-helixtrans-75.1-30.517300000112.9T24 S25 F31 F35T24-A28 WeakPolarHBondContact O-CB 3.4Å; T24-A28 PolarHBondContact O-N 3.47Å; S25-A28 PolarHBondContact O-N 2.9Å; A28-F31 CarbonylContact O-C 3.58Å; A28-F31 PolarHBondContact O-N 2.99Å; A28-F35 HydrophobicContact CB-CE2 3.99Å; A28-F35 HydrophobicContact CB-CZ 4.24Å
29Q56.9Low46.6Very low142 Ų142129.3 Ų129.366%0.66468%0.675SS**Hα-helixtrans-72.9-30.8175.7-78.1163.50.400111.7S25 I26S25-Q29 WeakPolarHBondContact O-CA 3.41Å; S25-Q29 WeakPolarHBondContact O-CB 3.08Å; S25-Q29 VanDerWaalsContact O-CD 3.26Å; S25-Q29 WeakPolarHBondContact O-CG 3.06Å; S25-Q29 PolarHBondContact O-N 3.47Å; I26-Q29 PolarHBondContact O-N 3.47Å
30L58.6Low47.3Very low136 Ų136133.2 Ų133.271%0.71267%0.67SS**Hα-helixtrans-75.5-21.9173.2-102.2154.7000113.8I26I26-L30 HydrophobicContact CG2-CD1 4.5Å; I26-L30 WeakPolarHBondContact O-CB 3.33Å; I26-L30 PolarHBondContact O-N 3.43Å
31F52.6Low48.2Very low138 Ų138130 Ų13061%0.60567%0.667SS**  trans-116.856.1-176.3-85.5-87.7000111.8L27 A28 L33L27-F31 PolarHBondContact O-N 3.42Å; A28-F31 CarbonylContact O-C 3.58Å; A28-F31 PolarHBondContact O-N 2.99Å; F31-L33 PolarHBondContact O-N 3.22Å
32A48Very low49.5Very low93 Ų93125.1 Ų125.177%0.76966%0.657SS**  trans-67.149.7176.800000114.3
33L41.7Very low51Low153 Ų153122.8 Ų122.880%0.80165%0.653SS**SBendtrans-124.4110.4167.7-71.4172.1000107.3F31F31-L33 PolarHBondContact O-N 3.22Å
34A39.9Very low52.6Low90 Ų90114.6 Ų114.674%0.74463%0.634SS**  trans16.4109.6165.800000116.6K36A34-K36 PolarHBondContact O-N 3.41Å
35F38.9Very low54Low180 Ų180111.8 Ų111.879%0.78961%0.614SS**  trans-58.977.3167.1-103.3-95.7000111.1A28A28-F35 HydrophobicContact CB-CE2 3.99Å; A28-F35 HydrophobicContact CB-CZ 4.24Å
36K37.6Very low55.5Low167 Ų167111.9 Ų111.973%0.72662%0.619SS**  trans-68.8142.6151.7-73.3-179.8178.9178.90106.4A34 L38A34-K36 PolarHBondContact O-N 3.41Å; K36-L38 PolarHBondContact O-N 3.24Å
37P39.8Very low56.7Low114 Ų114116 Ų11674%0.7463%0.628SS**  trans-53.4117.5176.224.1-32.4000106.4V39P37-V39 PolarHBondContact O-N 2.96Å
38L45.5Very low58.2Low150 Ų150115.8 Ų115.879%0.78563%0.627SS**  trans-6480.2176.4-83.2165.1000106.8K36 R40K36-L38 PolarHBondContact O-N 3.24Å; L38-R40 PolarHBondContact O-N 3.43Å
39V49Very low59.6Low122 Ų122119.7 Ų119.774%0.73964%0.638SS**  trans-51.1114.6163.5168.10000104P37 S41P37-V39 PolarHBondContact O-N 2.96Å; V39-S41 PolarHBondContact O-N 3.41Å
40R53.6Low61Low143 Ų143118.2 Ų118.254%0.5464%0.64SS.*  trans-43.278-176-71165156.6164.7-12.7111.7L38 A42 V64 C66L38-R40 PolarHBondContact O-N 3.43Å; R40-A42 VanDerWaalsContact C-N 3.3Å; R40-A42 PolarHBondContact O-N 3.21Å; R40-V64 PolarHBondContact NH2-O 3.22Å; R40-C66 PolarHBondContact NH1-O 3.46Å; R40-C66 PolarHBondContact NH2-O 3.5Å
41S61.7Low62.1Low58 Ų58113.8 Ų113.841%0.40662%0.621SS.*  trans-83.989.5172.579.60000106V39 K43 A44 I45V39-S41 PolarHBondContact O-N 3.41Å; S41-K43 PolarHBondContact O-N 2.94Å; S41-A44 PolarHBondContact O-N 2.91Å; S41-A44 WeakPolarHBondContact OG-CB 3.35Å; S41-A44 PolarHBondContact OG-N 3.36Å; S41-I45 PolarHBondContact O-N 3.32Å
42A68.6Low63.7Low74 Ų74110.9 Ų110.961%0.61263%0.63SS**Hα-helixtrans-48.6-26.3164.900000110.7R40 I45 A46R40-A42 VanDerWaalsContact C-N 3.3Å; R40-A42 PolarHBondContact O-N 3.21Å; A42-I45 PolarHBondContact O-N 3.4Å; A42-A46 WeakPolarHBondContact O-CB 3.42Å; A42-A46 PolarHBondContact O-N 3.18Å
43K76.2Confident65.7Low178 Ų178110.6 Ų110.677%0.77462%0.615SS**Hα-helixtrans-60.8-42.9171-161.6168.5-174.7174.80114.2S41 A46 Y47S41-K43 PolarHBondContact O-N 2.94Å; K43-A46 PolarHBondContact O-N 3.05Å; K43-Y47 WeakPolarHBondContact O-CB 3.47Å; K43-Y47 PolarHBondContact O-N 3.36Å
44A75Confident68Low53 Ų53113 Ų11344%0.43862%0.619SS.*Hα-helixtrans-67.5-37.817600000111.7S41 Y47 L48S41-A44 PolarHBondContact O-N 2.91Å; S41-A44 WeakPolarHBondContact OG-CB 3.35Å; S41-A44 PolarHBondContact OG-N 3.36Å; A44-Y47 PolarHBondContact O-N 3.4Å; A44-L48 PolarHBondContact O-N 3.43Å
45I77.7Confident70.2Confident39 Ų39111 Ų11120%0.260%0.603CS.*Hα-helixtrans-65.9-43.8175.8-58.6171.4000110.5S41 A42 Y47 L48 F49 P60 M62S41-I45 PolarHBondContact O-N 3.32Å; A42-I45 PolarHBondContact O-N 3.4Å; I45-Y47 VanDerWaalsContact C-N 3.26Å; I45-Y47 PolarHBondContact O-N 2.88Å; I45-L48 PolarHBondContact O-N 3.42Å; I45-F49 HydrophobicContact CG2-CD2 4.38Å; I45-F49 PolarHBondContact O-N 3.28Å; I45-P60 VanDerWaalsContact CG2-O 3.3Å; I45-P60 WeakPolarHBondContact CG2-O 3.01Å; I45-M62 HydrophobicContact CD1-CB 3.64Å
46A81.8Confident72.3Confident59 Ų59106.6 Ų106.649%0.48859%0.592SS.*Hα-helixtrans-63.8-31.7176.700000112.6A42 K43 F49 P50A42-A46 WeakPolarHBondContact O-CB 3.42Å; A42-A46 PolarHBondContact O-N 3.18Å; K43-A46 PolarHBondContact O-N 3.05Å; A46-F49 CarbonylContact O-C 3.56Å; A46-P50 WeakPolarHBondContact O-CA 3.33Å
47Y82.7Confident74.6Confident201 Ų201104.9 Ų104.979%0.78860%0.596SS**Hα-helixtrans-72.3-43.3174.7-172.7-95.8000112.1K43 A44 I45K43-Y47 WeakPolarHBondContact O-CB 3.47Å; K43-Y47 PolarHBondContact O-N 3.36Å; A44-Y47 PolarHBondContact O-N 3.4Å; I45-Y47 VanDerWaalsContact C-N 3.26Å; I45-Y47 PolarHBondContact O-N 2.88Å
48L84.9Confident76.7Confident105 Ų105102.2 Ų102.255%0.5558%0.583SS.*Hα-helixtrans-72.5-36.6-178.8-143.686.1000112.5A44 I45A44-L48 PolarHBondContact O-N 3.43Å; I45-L48 PolarHBondContact O-N 3.42Å
49F81.6Confident78.5Confident119 Ų119100.4 Ų100.452%0.52257%0.566SS.*SBendtrans-127.175-179.1-56.4-71.3000110.3I45 A46 S51 P60I45-F49 HydrophobicContact CG2-CD2 4.38Å; I45-F49 PolarHBondContact O-N 3.28Å; A46-F49 CarbonylContact O-C 3.56Å; F49-S51 PolarHBondContact O-N 3.07Å; F49-P60 HydrophobicContact CB-CB 4.27Å; F49-P60 HydrophobicContact CB-CG 3.65Å
50P85.6Confident80.1Confident111 Ų11197.3 Ų97.372%0.72155%0.549SS*.  trans-65.9108.4178.526.9-33.2000109.5A46A46-P50 WeakPolarHBondContact O-CA 3.33Å
51S81.5Confident81.3Confident43 Ų4394.6 Ų94.630%0.30155%0.548SS..  trans-111.7125.2176.864.80000110.7F49 L53 P60F49-S51 PolarHBondContact O-N 3.07Å; S51-L53 PolarHBondContact O-N 3.3Å; S51-P60 WeakPolarHBondContact OG-CD 3.25Å
52G87Confident81.6Confident77 Ų7798.4 Ų98.479%0.79456%0.561SS**  trans-81.217175.800000114.1F54G52-F54 PolarHBondContact O-N 3.31Å
53L89.6Confident81.2Confident87 Ų87102.8 Ų102.846%0.45557%0.566SS.*  trans-74.4127.5-175.5-63.7175.1000110.8S51 A55 A58 R59S51-L53 PolarHBondContact O-N 3.3Å; L53-A55 PolarHBondContact O-N 3.29Å; L53-A58 HydrophobicContact CD1-CB 4.03Å; L53-A58 WeakPolarHBondContact CD1-O 3.19Å; L53-R59 HydrophobicContact CB-CG 4.35Å; L53-R59 PolarHBondContact O-NE 3.47Å; L53-R59 PolarHBondContact O-NH2 2.95Å
54F89.2Confident79.7Confident203 Ų20398.5 Ų98.589%0.8955%0.554SS**SBendtrans-64.7-38.7179-67.9-72.8000112.5G52 P56G52-F54 PolarHBondContact O-N 3.31Å; F54-P56 WeakPolarHBondContact O-CD 3.44Å
55A87.8Confident77.7Confident48 Ų48102.8 Ų102.840%0.39756%0.563SS.*SBendtrans-77.3117.8178.800000110.8L53 T57 A58L53-A55 PolarHBondContact O-N 3.29Å; A55-T57 VanDerWaalsContact C-N 3.26Å; A55-T57 PolarHBondContact O-N 3.39Å; A55-A58 HydrophobicContact CB-CB 4.16Å; A55-A58 PolarHBondContact O-N 2.91Å; A55-A58 VanDerWaalsContact O-N 3.15Å
56P83.2Confident75.4Confident88 Ų88104.9 Ų104.957%0.57158%0.58SS**G310 helixtrans-67-26.5-176.926.2-33.9000113F54 A58 R59F54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 3.34Å; P56-R59 WeakPolarHBondContact O-CB 3.45Å; P56-R59 PolarHBondContact O-N 2.84Å
57T84.2Confident73.1Confident130 Ų130108.1 Ų108.180%0.79859%0.594SS**G310 helixtrans-70.6-23.8176.450.50000113.4A55A55-T57 VanDerWaalsContact C-N 3.26Å; A55-T57 PolarHBondContact O-N 3.39Å
58A84.5Confident70.6Confident58 Ų58108.4 Ų108.448%0.47960%0.6SS.*G310 helixtrans-88.6-10.1177.300000112.6L53 A55 P56L53-A58 HydrophobicContact CD1-CB 4.03Å; L53-A58 WeakPolarHBondContact CD1-O 3.19Å; A55-A58 HydrophobicContact CB-CB 4.16Å; A55-A58 PolarHBondContact O-N 2.91Å; A55-A58 VanDerWaalsContact O-N 3.15Å; P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 3.34Å
59R84Confident68.3Low113 Ų113107.2 Ų107.243%0.42659%0.594SS.*SBendtrans-69.7148.9175.5-62.3-178.3-174.9179.70.1109.9L53 P56 V61L53-R59 HydrophobicContact CB-CG 4.35Å; L53-R59 PolarHBondContact O-NE 3.47Å; L53-R59 PolarHBondContact O-NH2 2.95Å; P56-R59 WeakPolarHBondContact O-CB 3.45Å; P56-R59 PolarHBondContact O-N 2.84Å; R59-V61 PolarHBondContact O-N 2.85Å
60P81.3Confident66.6Low57 Ų57109.2 Ų109.237%0.3761%0.609SS.*  trans-61.7115.9174.724.8-29.4000108.8I45 F49 S51I45-P60 VanDerWaalsContact CG2-O 3.3Å; I45-P60 WeakPolarHBondContact CG2-O 3.01Å; F49-P60 HydrophobicContact CB-CB 4.27Å; F49-P60 HydrophobicContact CB-CG 3.65Å; S51-P60 WeakPolarHBondContact OG-CD 3.25Å
61V79.7Confident64.4Low86 Ų86107.5 Ų107.552%0.52161%0.612SS.*  trans-122.8125.4176.5-71.10000108.4R59 K63R59-V61 PolarHBondContact O-N 2.85Å; V61-K63 HydrophobicContact CG2-CG 4.13Å; V61-K63 PolarHBondContact O-N 2.83Å; V61-K63 VanDerWaalsContact O-N 3.16Å
62M67.5Low62.8Low138 Ų138107.6 Ų107.668%0.6861%0.612SS**  trans-83.492.5168.9-165.5163.96300107.7I45 V64I45-M62 HydrophobicContact CD1-CB 3.64Å; M62-V64 PolarHBondContact O-N 3.07Å; M62-V64 VanDerWaalsContact O-N 3.1Å
63K60.6Low61.2Low166 Ų166106.1 Ų106.172%0.72259%0.59SS**  trans-69.1105.5178-75.7176.5-177.8170.40109.4V61 F65V61-K63 HydrophobicContact CG2-CG 4.13Å; V61-K63 PolarHBondContact O-N 2.83Å; V61-K63 VanDerWaalsContact O-N 3.16Å; K63-F65 PolarHBondContact O-N 3.36Å
64V45.7Very low59.3Low87 Ų87105 Ų10553%0.52758%0.581SS.*  trans-77.9117.3154.8-1690000105.5R40 M62 C66R40-V64 PolarHBondContact NH2-O 3.22Å; M62-V64 PolarHBondContact O-N 3.07Å; M62-V64 VanDerWaalsContact O-N 3.1Å; V64-C66 VanDerWaalsContact C-N 3.26Å; V64-C66 PolarHBondContact O-N 3.23Å
65F31.7Very low57.4Low143 Ų14398.5 Ų98.563%0.62756%0.561SS**SBendtrans-56.992.6174-97.9-114.1000108.9R20 K63R20-F65 VanDerWaalsContact CZ-CD2 3.42Å; R20-F65 VanDerWaalsContact NH2-CZ 3.32Å; K63-F65 PolarHBondContact O-N 3.36Å
66C30Very low55.7Low83 Ų83101.4 Ų101.456%0.56156%0.562SS**  trans-171.186.9166.4-171.60000106.5R40 V64R40-C66 PolarHBondContact NH1-O 3.46Å; R40-C66 PolarHBondContact NH2-O 3.5Å; V64-C66 VanDerWaalsContact C-N 3.26Å; V64-C66 PolarHBondContact O-N 3.23Å
67T32.9Very low54.5Low127 Ų127103.1 Ų103.178%0.77957%0.566SS**  trans-158.8116.1148320000108.1L69T67-L69 PolarHBondContact O-N 3.39Å
68F31.1Very low53Low208 Ų208102 Ų10291%0.91255%0.55SS**  trans-73.7100.3160.7-84.4-91.6000108.3
69L36.4Very low51.6Low79 Ų79104.1 Ų104.141%0.41456%0.561SS.*  trans33.4115.6133.1-55.8170.3000119.9T67 R76T67-L69 PolarHBondContact O-N 3.39Å; L69-R76 VanDerWaalsContact CB-NH1 3.3Å; L69-R76 VanDerWaalsContact CG-NH1 3.25Å
70L45Very low50.3Low161 Ų161103.7 Ų103.784%0.84358%0.582SS**SBendtrans-119.1139.5151.7-138.883.4000110.2
71G40.7Very low49.2Very low76 Ų76103.8 Ų103.878%0.78458%0.584SS**SBendtrans112.8-41.2166.800000115.4S73G71-S73 PolarHBondContact N-OG 3.25Å; G71-S73 PolarHBondContact O-N 3.03Å
72S47.9Very low48.2Very low44 Ų44111.7 Ų111.731%0.30860%0.604SS.*SBendtrans-90.724.1169.7-2.90000111.9R76S72-R76 VanDerWaalsContact O-CB 3.26Å; S72-R76 WeakPolarHBondContact O-CB 3.5Å; S72-R76 WeakPolarHBondContact O-CG 3Å; S72-R76 PolarHBondContact O-N 3.15Å; S72-R76 VanDerWaalsContact OG-CZ 3.24Å; S72-R76 PolarHBondContact OG-NH1 3.4Å; S72-R76 PolarHBondContact OG-NH2 3.03Å; S72-R76 VanDerWaalsContact OG-NH2 3.13Å
73S52.7Low48.4Very low47 Ų47107.9 Ų107.933%0.32959%0.587SS.*Hα-helixtrans-73.5-35.2-164.7-52.10000112.4G71 L77G71-S73 PolarHBondContact N-OG 3.25Å; G71-S73 PolarHBondContact O-N 3.03Å; S73-L77 PolarHBondContact O-N 3.02Å; S73-L77 VanDerWaalsContact O-N 3.11Å
74F49.6Very low49.6Very low62 Ų62104.3 Ų104.327%0.27258%0.579SS.*Hα-helixtrans-71.6-45.6175.9-168.9-99.4000112R76 L77 F78 Y88 F91F74-R76 VanDerWaalsContact C-N 3.29Å; F74-R76 PolarHBondContact O-N 2.97Å; F74-L77 PolarHBondContact O-N 3.19Å; F74-F78 PolarHBondContact O-N 3.44Å; F74-Y88 AromaticContact CD1-CD2 3.95Å; F74-Y88 HydrophobicContact CD1-CD2 3.95Å; F74-Y88 HydrophobicContact CD1-CE2 4.35Å; F74-Y88 HydrophobicContact CD2-CE2 4.43Å; F74-Y88 AromaticContact CE1-CD2 3.68Å; F74-Y88 HydrophobicContact CE1-CD2 3.68Å; F74-Y88 HydrophobicContact CE1-CE2 4.38Å; F74-Y88 HydrophobicContact CE2-CD2 4.38Å; F74-Y88 HydrophobicContact CE2-CE2 4.46Å; F74-Y88 HydrophobicContact CG-CD2 4.42Å; F74-Y88 HydrophobicContact CG-CE2 4.38Å; F74-Y88 AromaticContact CZ-CD2 3.91Å; F74-Y88 HydrophobicContact CZ-CD2 3.91Å; F74-Y88 HydrophobicContact CZ-CE2 4.43Å; F74-F91 AromaticContact CE2-CD1 3.73Å; F74-F91 HydrophobicContact CE2-CD1 3.73Å; F74-F91 AromaticContact CE2-CE1 3.6Å; F74-F91 HydrophobicContact CE2-CE1 3.6Å; F74-F91 HydrophobicContact CE2-CG 4.47Å; F74-F91 HydrophobicContact CE2-CZ 4.25Å; F74-F91 AromaticContact CZ-CD1 3.86Å; F74-F91 HydrophobicContact CZ-CD1 3.86Å; F74-F91 HydrophobicContact CZ-CE1 4.19Å; F74-F91 HydrophobicContact CZ-CG 4.25Å
75S49.5Very low51.6Low67 Ų67105.6 Ų105.647%0.46959%0.587SS.*Hα-helixtrans-72.4-17.5177.833.20000114.1F78 S79S75-F78 CarbonylContact O-C 3.36Å; S75-S79 VanDerWaalsContact O-CA 3.29Å; S75-S79 WeakPolarHBondContact O-CA 3.49Å; S75-S79 PolarHBondContact O-N 3.12Å
76R52Low54.3Low109 Ų109102.4 Ų102.441%0.41158%0.582SS.*Hα-helixtrans-88.2-31.6171.2-81.1-173.1-164.6110.3-0.1114.5L69 S72 F74 F78 S79L69-R76 VanDerWaalsContact CB-NH1 3.3Å; L69-R76 VanDerWaalsContact CG-NH1 3.25Å; S72-R76 VanDerWaalsContact O-CB 3.26Å; S72-R76 WeakPolarHBondContact O-CB 3.5Å; S72-R76 WeakPolarHBondContact O-CG 3Å; S72-R76 PolarHBondContact O-N 3.15Å; S72-R76 VanDerWaalsContact OG-CZ 3.24Å; S72-R76 PolarHBondContact OG-NH1 3.4Å; S72-R76 PolarHBondContact OG-NH2 3.03Å; S72-R76 VanDerWaalsContact OG-NH2 3.13Å; F74-R76 VanDerWaalsContact C-N 3.29Å; F74-R76 PolarHBondContact O-N 2.97Å; R76-F78 VanDerWaalsContact C-N 3.32Å; R76-S79 PolarHBondContact O-N 3.25Å
77L56.6Low57.1Low124 Ų124101.4 Ų101.465%0.64958%0.576SS**Hα-helixtrans-65.5-41.6172.5-90.7162.5000110.5S73 F74S73-L77 PolarHBondContact O-N 3.02Å; S73-L77 VanDerWaalsContact O-N 3.11Å; F74-L77 PolarHBondContact O-N 3.19Å
78F54.2Low59.6Low108 Ų108100.7 Ų100.747%0.47456%0.56SS.*THydrogen-bonded Turntrans-104.762169.5-80.2-90.7000110.7F74 S75 R76 A80F74-F78 PolarHBondContact O-N 3.44Å; S75-F78 CarbonylContact O-C 3.36Å; R76-F78 VanDerWaalsContact C-N 3.32Å; F78-A80 PolarHBondContact O-N 2.91Å; F78-A80 VanDerWaalsContact O-N 3.09Å
79S53.9Low62.4Low102 Ų10294.8 Ų94.871%0.71354%0.538SS*.THydrogen-bonded Turntrans-68.5-2.5177.9-161.50000113.9S75 R76S75-S79 VanDerWaalsContact O-CA 3.29Å; S75-S79 WeakPolarHBondContact O-CA 3.49Å; S75-S79 PolarHBondContact O-N 3.12Å; R76-S79 PolarHBondContact O-N 3.25Å
80A57.7Low65.1Low104 Ų10496.2 Ų96.286%0.8655%0.546SS*.THydrogen-bonded Turntrans-98.1-26-174.100000114.5F78F78-A80 PolarHBondContact O-N 2.91Å; F78-A80 VanDerWaalsContact O-N 3.09Å
81S58.1Low67.2Low59 Ų5991.4 Ų91.441%0.41352%0.519SS..SBendtrans-109.2135.3-174.952.20000112.3N83S81-N83 VanDerWaalsContact C-N 3.31Å; S81-N83 WeakPolarHBondContact CB-OD1 3.26Å; S81-N83 VanDerWaalsContact O-CG 3.27Å; S81-N83 PolarHBondContact O-N 2.79Å; S81-N83 PolarHBondContact O-OD1 2.85Å; S81-N83 PolarHBondContact OG-OD1 3.16Å
82R58.9Low69.6Low251 Ų25190.1 Ų90.195%0.94750%0.496SS*.  trans-65.294.5165-88.7-175.9-113.5-178.3-2.8108.4T84R82-T84 PolarHBondContact O-N 2.61Å
83N71.2Confident71.7Confident59 Ų5991.9 Ų91.932%0.31650%0.504SS..  trans-76.6116.4-177.7-55.7-31.9000109.5S81S81-N83 VanDerWaalsContact C-N 3.31Å; S81-N83 WeakPolarHBondContact CB-OD1 3.26Å; S81-N83 VanDerWaalsContact O-CG 3.27Å; S81-N83 PolarHBondContact O-N 2.79Å; S81-N83 PolarHBondContact O-OD1 2.85Å; S81-N83 PolarHBondContact OG-OD1 3.16Å
84T86Confident73.7Confident90 Ų9092.2 Ų92.255%0.55251%0.51SS*.  trans-81.7153.317052.50000110.4R82 S86 S87 Y88R82-T84 PolarHBondContact O-N 2.61Å; T84-S86 PolarHBondContact O-N 3.3Å; T84-S87 PolarHBondContact O-N 3.02Å; T84-S87 WeakPolarHBondContact OG1-CB 3.1Å; T84-S87 PolarHBondContact OG1-N 3.5Å; T84-Y88 PolarHBondContact O-N 3.35Å; T84-Y88 VanDerWaalsContact O-N 3.15Å
85V86.6Confident75.6Confident114 Ų11490.4 Ų90.469%0.69150%0.502SS*.Hα-helixtrans-54.4-37.3176.1-179.50000110.9Y88 N89V85-Y88 PolarHBondContact O-N 3.1Å; V85-N89 PolarHBondContact O-N 2.77Å
86S89.9Confident77.6Confident76 Ų7691.3 Ų91.353%0.53150%0.502SS..Hα-helixtrans-66.7-38.8177.7-148.50000113T84 Y88 N89 N90T84-S86 PolarHBondContact O-N 3.3Å; S86-Y88 VanDerWaalsContact C-N 3.33Å; S86-Y88 PolarHBondContact O-N 3.24Å; S86-N89 PolarHBondContact O-N 3.42Å; S86-N90 VanDerWaalsContact O-CG 3.32Å; S86-N90 PolarHBondContact O-N 2.72Å; S86-N90 PolarHBondContact O-OD1 3.01Å
87S87.7Confident79.5Confident63 Ų6390.4 Ų90.444%0.44151%0.505SS..Hα-helixtrans-65.7-38.7177.4-1660000111.3T84 N90 F91T84-S87 PolarHBondContact O-N 3.02Å; T84-S87 WeakPolarHBondContact OG1-CB 3.1Å; T84-S87 PolarHBondContact OG1-N 3.5Å; S87-N90 PolarHBondContact O-N 3.49Å; S87-F91 PolarHBondContact O-N 3.22Å
88Y85.9Confident81.2Confident111 Ų11187.3 Ų87.344%0.43549%0.489SS..Hα-helixtrans-62-44.6171.7177-102.1000112.3F74 T84 V85 S86 N90 F91 V92F74-Y88 AromaticContact CD1-CD2 3.95Å; F74-Y88 HydrophobicContact CD1-CD2 3.95Å; F74-Y88 HydrophobicContact CD1-CE2 4.35Å; F74-Y88 HydrophobicContact CD2-CE2 4.43Å; F74-Y88 AromaticContact CE1-CD2 3.68Å; F74-Y88 HydrophobicContact CE1-CD2 3.68Å; F74-Y88 HydrophobicContact CE1-CE2 4.38Å; F74-Y88 HydrophobicContact CE2-CD2 4.38Å; F74-Y88 HydrophobicContact CE2-CE2 4.46Å; F74-Y88 HydrophobicContact CG-CD2 4.42Å; F74-Y88 HydrophobicContact CG-CE2 4.38Å; F74-Y88 AromaticContact CZ-CD2 3.91Å; F74-Y88 HydrophobicContact CZ-CD2 3.91Å; F74-Y88 HydrophobicContact CZ-CE2 4.43Å; T84-Y88 PolarHBondContact O-N 3.35Å; T84-Y88 VanDerWaalsContact O-N 3.15Å; V85-Y88 PolarHBondContact O-N 3.1Å; S86-Y88 VanDerWaalsContact C-N 3.33Å; S86-Y88 PolarHBondContact O-N 3.24Å; Y88-N90 PolarHBondContact O-N 3.37Å; Y88-F91 WeakPolarHBondContact O-CB 2.88Å; Y88-F91 PolarHBondContact O-N 2.64Å; Y88-V92 HydrophobicContact CD1-CG2 4.24Å; Y88-V92 HydrophobicContact CD2-CG2 4.5Å; Y88-V92 HydrophobicContact CE1-CG2 3.79Å; Y88-V92 HydrophobicContact CE2-CG2 4.06Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 3.4Å
89N90.6Very high83Confident84 Ų8483.8 Ų83.845%0.44948%0.48SS..Hα-helixtrans-62.1-43.3177.8-69.5-16.8000112V85 S86 F91 V92 V93V85-N89 PolarHBondContact O-N 2.77Å; S86-N89 PolarHBondContact O-N 3.42Å; N89-F91 VanDerWaalsContact C-N 3.29Å; N89-F91 PolarHBondContact O-N 3Å; N89-V92 PolarHBondContact O-N 3.26Å; N89-V93 WeakPolarHBondContact O-CG2 3.43Å; N89-V93 PolarHBondContact O-N 3.02Å
90N92.3Very high84.8Confident109 Ų10983.1 Ų83.158%0.58348%0.475SS*.Hα-helixtrans-60.3-41.5175.6-69.4-7.5000111.4S86 S87 Y88 V93 A94S86-N90 VanDerWaalsContact O-CG 3.32Å; S86-N90 PolarHBondContact O-N 2.72Å; S86-N90 PolarHBondContact O-OD1 3.01Å; S87-N90 PolarHBondContact O-N 3.49Å; Y88-N90 PolarHBondContact O-N 3.37Å; N90-V93 PolarHBondContact O-N 2.92Å; N90-A94 WeakPolarHBondContact O-CB 3.29Å; N90-A94 PolarHBondContact O-N 3.2Å
91F89.6Confident86.3Confident61 Ų6183.6 Ų83.627%0.26846%0.459SS..Hα-helixtrans-62.2-45.1174.9176.2-99.4000112.2F74 S87 Y88 N89 V93 A94 M95 F114F74-F91 AromaticContact CE2-CD1 3.73Å; F74-F91 HydrophobicContact CE2-CD1 3.73Å; F74-F91 AromaticContact CE2-CE1 3.6Å; F74-F91 HydrophobicContact CE2-CE1 3.6Å; F74-F91 HydrophobicContact CE2-CG 4.47Å; F74-F91 HydrophobicContact CE2-CZ 4.25Å; F74-F91 AromaticContact CZ-CD1 3.86Å; F74-F91 HydrophobicContact CZ-CD1 3.86Å; F74-F91 HydrophobicContact CZ-CE1 4.19Å; F74-F91 HydrophobicContact CZ-CG 4.25Å; S87-F91 PolarHBondContact O-N 3.22Å; Y88-F91 WeakPolarHBondContact O-CB 2.88Å; Y88-F91 PolarHBondContact O-N 2.64Å; N89-F91 VanDerWaalsContact C-N 3.29Å; N89-F91 PolarHBondContact O-N 3Å; F91-V93 VanDerWaalsContact C-N 3.34Å; F91-V93 PolarHBondContact O-N 3.12Å; F91-A94 PolarHBondContact O-N 2.74Å; F91-M95 HydrophobicContact CD1-CG 4.18Å; F91-M95 HydrophobicContact CD2-CG 4.38Å; F91-M95 HydrophobicContact CE1-CG 3.69Å; F91-M95 HydrophobicContact CE2-CG 3.93Å; F91-M95 HydrophobicContact CE2-SD 4.06Å; F91-M95 HydrophobicContact CZ-CG 3.56Å; F91-M95 HydrophobicContact CZ-SD 3.83Å; F91-M95 WeakPolarHBondContact O-CG 3.4Å; F91-M95 PolarHBondContact O-N 3.44Å; F91-F114 HydrophobicContact CZ-CD1 4.28Å; F91-F114 HydrophobicContact CZ-CG 4.33Å
92V89.8Confident88Confident49 Ų4986.4 Ų86.430%0.29748%0.476SS..Hα-helixtrans-61.2-42.3177.5173.10000111.4Y88 N89 M95 N96Y88-V92 HydrophobicContact CD1-CG2 4.24Å; Y88-V92 HydrophobicContact CD2-CG2 4.5Å; Y88-V92 HydrophobicContact CE1-CG2 3.79Å; Y88-V92 HydrophobicContact CE2-CG2 4.06Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 3.4Å; N89-V92 PolarHBondContact O-N 3.26Å; V92-M95 PolarHBondContact O-N 2.81Å; V92-N96 PolarHBondContact O-N 3.3Å; V92-N96 PolarHBondContact O-ND2 2.79Å
93V93.4Very high89.5Confident80 Ų8082.9 Ų82.949%0.48546%0.464SS..Hα-helixtrans-62-46175.5172.70000110.9N89 N90 F91 M95 N96 N97N89-V93 WeakPolarHBondContact O-CG2 3.43Å; N89-V93 PolarHBondContact O-N 3.02Å; N90-V93 PolarHBondContact O-N 2.92Å; F91-V93 VanDerWaalsContact C-N 3.34Å; F91-V93 PolarHBondContact O-N 3.12Å; V93-M95 VanDerWaalsContact C-N 3.34Å; V93-M95 PolarHBondContact O-N 2.73Å; V93-N96 PolarHBondContact O-N 3.18Å; V93-N97 VanDerWaalsContact O-CG 3.22Å; V93-N97 PolarHBondContact O-N 3.26Å; V93-N97 PolarHBondContact O-OD1 3.19Å
94A93.4Very high90.4Very high54 Ų5481.4 Ų81.445%0.44646%0.459SS..Hα-helixtrans-59.5-43.617700000112.1N90 F91 N97 L98N90-A94 WeakPolarHBondContact O-CB 3.29Å; N90-A94 PolarHBondContact O-N 3.2Å; F91-A94 PolarHBondContact O-N 2.74Å; A94-N97 PolarHBondContact O-N 2.86Å; A94-L98 PolarHBondContact O-N 2.66Å
95M90.9Very high90.6Very high25 Ų2584.7 Ų84.712%0.12347%0.465CS..Hα-helixtrans-65.1-38.5176.9-70.2-61.5-69.600112.7F91 V92 V93 L98 A99 F110 I111 F114F91-M95 HydrophobicContact CD1-CG 4.18Å; F91-M95 HydrophobicContact CD2-CG 4.38Å; F91-M95 HydrophobicContact CE1-CG 3.69Å; F91-M95 HydrophobicContact CE2-CG 3.93Å; F91-M95 HydrophobicContact CE2-SD 4.06Å; F91-M95 HydrophobicContact CZ-CG 3.56Å; F91-M95 HydrophobicContact CZ-SD 3.83Å; F91-M95 WeakPolarHBondContact O-CG 3.4Å; F91-M95 PolarHBondContact O-N 3.44Å; V92-M95 PolarHBondContact O-N 2.81Å; V93-M95 VanDerWaalsContact C-N 3.34Å; V93-M95 PolarHBondContact O-N 2.73Å; M95-L98 PolarHBondContact O-N 3.47Å; M95-A99 WeakPolarHBondContact O-CB 3.46Å; M95-A99 PolarHBondContact O-N 3.06Å; M95-F110 HydrophobicContact CE-CE1 4.38Å; M95-F110 HydrophobicContact SD-CE1 4.18Å; M95-I111 HydrophobicContact CE-CB 4.46Å; M95-I111 HydrophobicContact CE-CG1 4.37Å; M95-F114 HydrophobicContact CE-CB 4.27Å; M95-F114 HydrophobicContact CE-CD2 3.91Å; M95-F114 HydrophobicContact CE-CG 4.42Å
96N91.3Very high90.8Very high85 Ų8589 Ų8946%0.45547%0.469SS..Hα-helixtrans-67.8-39.9175.4-74.9-26.4000111.8V92 V93 A99 S100V92-N96 PolarHBondContact O-N 3.3Å; V92-N96 PolarHBondContact O-ND2 2.79Å; V93-N96 PolarHBondContact O-N 3.18Å; N96-A99 PolarHBondContact O-N 2.72Å; N96-S100 PolarHBondContact O-N 2.85Å
97N92.5Very high90.7Very high90 Ų9090.5 Ų90.548%0.48147%0.468SS..Hα-helixtrans-61.6-45.1174.5-68.3-12.5000111V93 A94 A99 S100 H101V93-N97 VanDerWaalsContact O-CG 3.22Å; V93-N97 PolarHBondContact O-N 3.26Å; V93-N97 PolarHBondContact O-OD1 3.19Å; A94-N97 PolarHBondContact O-N 2.86Å; N97-A99 VanDerWaalsContact C-N 3.28Å; N97-A99 PolarHBondContact O-N 2.98Å; N97-S100 PolarHBondContact O-N 3.24Å; N97-S100 PolarHBondContact O-OG 3.47Å; N97-H101 PolarHBondContact O-N 2.89Å
98L91.2Very high90.7Very high60 Ų6094 Ų9431%0.31447%0.472SS..Hα-helixtrans-58.4-41175.8-166.378.4000111.9A94 M95 S100 H101 F110 I111A94-L98 PolarHBondContact O-N 2.66Å; M95-L98 PolarHBondContact O-N 3.47Å; L98-S100 VanDerWaalsContact C-N 3.3Å; L98-S100 PolarHBondContact O-N 2.86Å; L98-H101 PolarHBondContact O-N 3.09Å; L98-F110 HydrophobicContact CD2-CD1 4.23Å; L98-I111 HydrophobicContact CD2-CD1 4.08Å; L98-I111 HydrophobicContact CD2-CG1 3.8Å; L98-I111 HydrophobicContact CG-CD1 4.32Å
99A91.5Very high90.9Very high34 Ų3494.4 Ų94.428%0.28148%0.481SS..Hα-helixtrans-69.8-24.9177.200000113.5M95 N96 N97 H101 I111M95-A99 WeakPolarHBondContact O-CB 3.46Å; M95-A99 PolarHBondContact O-N 3.06Å; N96-A99 PolarHBondContact O-N 2.72Å; N97-A99 VanDerWaalsContact C-N 3.28Å; N97-A99 PolarHBondContact O-N 2.98Å; A99-H101 VanDerWaalsContact C-N 3.34Å; A99-I111 HydrophobicContact CB-CD1 4.32Å
100S91.8Very high90.8Very high87 Ų8794.6 Ų94.661%0.60848%0.478SS*.Hα-helixtrans-81-11179.472.50000114.2N96 N97 L98N96-S100 PolarHBondContact O-N 2.85Å; N97-S100 PolarHBondContact O-N 3.24Å; N97-S100 PolarHBondContact O-OG 3.47Å; L98-S100 VanDerWaalsContact C-N 3.3Å; L98-S100 PolarHBondContact O-N 2.86Å
101H90.5Very high90.6Very high115 Ų11589.8 Ų89.853%0.53245%0.452SS..SBendtrans-72.8145-179.1-79.5-42.6000113N97 L98 A99 Y103 S104N97-H101 PolarHBondContact O-N 2.89Å; L98-H101 PolarHBondContact O-N 3.09Å; A99-H101 VanDerWaalsContact C-N 3.34Å; H101-Y103 PolarHBondContact O-N 3.33Å; H101-Y103 VanDerWaalsContact O-N 3.13Å; H101-S104 WeakPolarHBondContact O-CB 3.34Å; H101-S104 PolarHBondContact O-N 3.5Å
102P93.8Very high90.4Very high118 Ų11891.7 Ų91.777%0.76646%0.463SS*.THydrogen-bonded Turntrans-61.4-25.7-177.922.1-32.3000113.8
103Y90.2Very high90.2Very high177 Ų17796.1 Ų96.169%0.69448%0.48SS*.THydrogen-bonded Turntrans-99.114.2177-61.9-65.3000114.2H101 F105 R106H101-Y103 PolarHBondContact O-N 3.33Å; H101-Y103 VanDerWaalsContact O-N 3.13Å; Y103-F105 PolarHBondContact O-N 3.19Å; Y103-R106 PolarHBondContact O-N 3.4Å; Y103-R106 VanDerWaalsContact O-N 3.17Å
104S89.2Confident89.7Confident28 Ų2895.5 Ų95.520%0.19647%0.471CS..G310 helixtrans-50.6-30.2-179.1165.20000113.9H101 R106 E107 R108 I111H101-S104 WeakPolarHBondContact O-CB 3.34Å; H101-S104 PolarHBondContact O-N 3.5Å; S104-R106 PolarHBondContact O-N 2.93Å; S104-R106 VanDerWaalsContact O-N 3.16Å; S104-E107 CarbonylContact O-C 3.55Å; S104-E107 PolarHBondContact O-N 3.11Å; S104-R108 PolarHBondContact O-N 3.1Å; S104-I111 WeakPolarHBondContact OG-CD1 3.37Å
105F89.7Confident89.1Confident159 Ų15999.3 Ų99.370%0.69747%0.474SS*.G310 helixtrans-56.1-31.4-179.3180-96.6000114.1Y103 E107 R108Y103-F105 PolarHBondContact O-N 3.19Å; F105-E107 VanDerWaalsContact C-N 3.34Å; F105-R108 VanDerWaalsContact O-CB 3.22Å; F105-R108 WeakPolarHBondContact O-CB 3.48Å; F105-R108 PolarHBondContact O-N 2.89Å
106R91.5Very high88.5Confident204 Ų204103.3 Ų103.377%0.7750%0.5SS*.G310 helixtrans-67.8-34.8178.1-71.8-173.2174.4150.5-1112.8Y103 S104Y103-R106 PolarHBondContact O-N 3.4Å; Y103-R106 VanDerWaalsContact O-N 3.17Å; S104-R106 PolarHBondContact O-N 2.93Å; S104-R106 VanDerWaalsContact O-N 3.16Å
107E88.3Confident87.7Confident107 Ų107104.9 Ų104.950%0.552%0.517SS..G310 helixtrans-99.317.5179.4-62.5-60.6156.200112.1S104 F105 D109 F110 I111S104-E107 CarbonylContact O-C 3.55Å; S104-E107 PolarHBondContact O-N 3.11Å; F105-E107 VanDerWaalsContact C-N 3.34Å; E107-D109 VanDerWaalsContact C-N 3.29Å; E107-D109 PolarHBondContact O-N 3.35Å; E107-F110 PolarHBondContact O-N 2.81Å; E107-I111 WeakPolarHBondContact O-CG1 3.5Å; E107-I111 PolarHBondContact O-N 2.7Å
108R88Confident86.4Confident138 Ų138107.7 Ų107.752%0.52153%0.532SS..Hα-helixtrans-53.6-47.1-178.5167.9-174.8169.6173.1-1111.7S104 F105 F110 I111 M112S104-R108 PolarHBondContact O-N 3.1Å; F105-R108 VanDerWaalsContact O-CB 3.22Å; F105-R108 WeakPolarHBondContact O-CB 3.48Å; F105-R108 PolarHBondContact O-N 2.89Å; R108-F110 VanDerWaalsContact C-N 3.31Å; R108-F110 PolarHBondContact O-N 3.13Å; R108-I111 PolarHBondContact O-N 2.93Å; R108-M112 HydrophobicContact CG-CG 4.14Å; R108-M112 WeakPolarHBondContact O-CB 3.43Å; R108-M112 VanDerWaalsContact O-CG 3.25Å; R108-M112 WeakPolarHBondContact O-CG 3.48Å; R108-M112 PolarHBondContact O-N 3.22Å
109D88.4Confident85.4Confident118 Ų118109.4 Ų109.463%0.63156%0.555SS**Hα-helixtrans-66.1-38.5-173.4-64.9-29000111.1E107 M112 Q113E107-D109 VanDerWaalsContact C-N 3.29Å; E107-D109 PolarHBondContact O-N 3.35Å; D109-M112 PolarHBondContact O-N 3.07Å; D109-Q113 WeakPolarHBondContact O-CG 3.32Å; D109-Q113 PolarHBondContact O-N 3.07Å
110F88.8Confident83.7Confident88 Ų88112.9 Ų112.939%0.38658%0.577SS.*Hα-helixtrans-61.6-46.9172.1-178.4-100.6000111.5M95 L98 E107 R108 M112 Q113 F114M95-F110 HydrophobicContact CE-CE1 4.38Å; M95-F110 HydrophobicContact SD-CE1 4.18Å; L98-F110 HydrophobicContact CD2-CD1 4.23Å; E107-F110 PolarHBondContact O-N 2.81Å; R108-F110 VanDerWaalsContact C-N 3.31Å; R108-F110 PolarHBondContact O-N 3.13Å; F110-M112 VanDerWaalsContact C-N 3.29Å; F110-M112 PolarHBondContact O-N 3.42Å; F110-Q113 PolarHBondContact O-N 2.92Å; F110-F114 HydrophobicContact CD2-CE2 4.17Å; F110-F114 HydrophobicContact CE1-CE2 4.19Å; F110-F114 AromaticContact CE2-CE2 3.69Å; F110-F114 HydrophobicContact CE2-CE2 3.69Å; F110-F114 HydrophobicContact CE2-CZ 4.35Å; F110-F114 AromaticContact CZ-CE2 3.7Å; F110-F114 HydrophobicContact CZ-CE2 3.7Å; F110-F114 HydrophobicContact CZ-CZ 4.41Å; F110-F114 VanDerWaalsContact O-CD2 3.29Å; F110-F114 WeakPolarHBondContact O-CD2 3.44Å
111I88.9Confident82.1Confident9 Ų9114.1 Ų114.15%0.04659%0.585CS.*Hα-helixtrans-59.5-41.8176.8-65.4166.1000111.1M95 L98 A99 S104 E107 R108 F114M95-I111 HydrophobicContact CE-CB 4.46Å; M95-I111 HydrophobicContact CE-CG1 4.37Å; L98-I111 HydrophobicContact CD2-CD1 4.08Å; L98-I111 HydrophobicContact CD2-CG1 3.8Å; L98-I111 HydrophobicContact CG-CD1 4.32Å; A99-I111 HydrophobicContact CB-CD1 4.32Å; S104-I111 WeakPolarHBondContact OG-CD1 3.37Å; E107-I111 WeakPolarHBondContact O-CG1 3.5Å; E107-I111 PolarHBondContact O-N 2.7Å; R108-I111 PolarHBondContact O-N 2.93Å; I111-F114 PolarHBondContact O-N 3.37Å
112M85.2Confident80.5Confident100 Ų100112.4 Ų112.449%0.49359%0.586SS.*Hα-helixtrans-74.5-25.5-175-69.4-60.7-7100113.8R108 D109 F110 F114 R115R108-M112 HydrophobicContact CG-CG 4.14Å; R108-M112 WeakPolarHBondContact O-CB 3.43Å; R108-M112 VanDerWaalsContact O-CG 3.25Å; R108-M112 WeakPolarHBondContact O-CG 3.48Å; R108-M112 PolarHBondContact O-N 3.22Å; D109-M112 PolarHBondContact O-N 3.07Å; F110-M112 VanDerWaalsContact C-N 3.29Å; F110-M112 PolarHBondContact O-N 3.42Å; M112-F114 PolarHBondContact O-N 3.2Å; M112-R115 PolarHBondContact O-N 3.5Å; M112-R115 VanDerWaalsContact O-N 3.12Å; M112-R115 HydrophobicContact SD-CB 4.44Å
113Q86.7Confident78.7Confident142 Ų142115.7 Ų115.766%0.66460%0.596SS**Hα-helixtrans-57.6-33.4173.2-75.7169.522.600112.7D109 F110D109-Q113 WeakPolarHBondContact O-CG 3.32Å; D109-Q113 PolarHBondContact O-N 3.07Å; F110-Q113 PolarHBondContact O-N 2.92Å
114F81.9Confident76.5Confident67 Ų67110.3 Ų110.329%0.29459%0.589SS.*THydrogen-bonded Turntrans-94.5-3-179.6-60.5-78.2000113.5F91 M95 F110 I111 M112F91-F114 HydrophobicContact CZ-CD1 4.28Å; F91-F114 HydrophobicContact CZ-CG 4.33Å; M95-F114 HydrophobicContact CE-CB 4.27Å; M95-F114 HydrophobicContact CE-CD2 3.91Å; M95-F114 HydrophobicContact CE-CG 4.42Å; F110-F114 HydrophobicContact CD2-CE2 4.17Å; F110-F114 HydrophobicContact CE1-CE2 4.19Å; F110-F114 AromaticContact CE2-CE2 3.69Å; F110-F114 HydrophobicContact CE2-CE2 3.69Å; F110-F114 HydrophobicContact CE2-CZ 4.35Å; F110-F114 AromaticContact CZ-CE2 3.7Å; F110-F114 HydrophobicContact CZ-CE2 3.7Å; F110-F114 HydrophobicContact CZ-CZ 4.41Å; F110-F114 VanDerWaalsContact O-CD2 3.29Å; F110-F114 WeakPolarHBondContact O-CD2 3.44Å; I111-F114 PolarHBondContact O-N 3.37Å; M112-F114 PolarHBondContact O-N 3.2Å
115R80.2Confident74.6Confident135 Ų135112.9 Ų112.951%0.50961%0.611SS.*  trans-96.1129.2176.4-71.9-169171.5-169.6-1.2110.6M112M112-R115 PolarHBondContact O-N 3.5Å; M112-R115 VanDerWaalsContact O-N 3.12Å; M112-R115 HydrophobicContact SD-CB 4.44Å
116V79Confident72.8Confident109 Ų109110 Ų11066%0.66161%0.611SS**  trans-87.6124.9167.5-1790000107.3L118V116-L118 PolarHBondContact O-N 3.43Å
117S73.4Confident70.9Confident117 Ų117107.6 Ų107.682%0.81861%0.614SS**  trans-63.2102.6168.1-1670000107.6A119S117-A119 PolarHBondContact O-N 2.76Å; S117-A119 VanDerWaalsContact O-N 3.16Å
118L66.2Low69.5Low150 Ų150107.5 Ų107.579%0.78562%0.62SS**  trans-68.5113.5171.1-69.7172.8000105.6V116 S120V116-L118 PolarHBondContact O-N 3.43Å; L118-S120 PolarHBondContact O-N 3.42Å
119A70.3Confident68Low96 Ų96106.4 Ų106.479%0.79363%0.629SS**  trans-61.496.2164.800000106.3S117 S121S117-A119 PolarHBondContact O-N 2.76Å; S117-A119 VanDerWaalsContact O-N 3.16Å; A119-S121 PolarHBondContact O-N 2.81Å
120S55.1Low66.6Low107 Ų107106.1 Ų106.175%0.74863%0.626SS**  trans-66.891.3162.857.40000104.8L118 S122L118-S120 PolarHBondContact O-N 3.42Å; S120-S122 PolarHBondContact O-N 3.18Å
121S59.5Low65.1Low112 Ų112106.4 Ų106.478%0.78364%0.637SS**  trans-57.891.1146.852.30000103.8A119A119-S121 PolarHBondContact O-N 2.81Å
122S56.1Low63.9Low80 Ų80115.2 Ų115.256%0.55968%0.678SS**  trans-46158.2149.7420000105.4S120 A124S120-S122 PolarHBondContact O-N 3.18Å; S122-A124 PolarHBondContact O-N 3.43Å; S122-A124 WeakPolarHBondContact OG-CB 3.13Å
123L55.1Low62.8Low186 Ų186113.1 Ų113.197%0.97467%0.671SS**SBendtrans-6443.5159.4-72.6143.8000109.4A125L123-A125 PolarHBondContact O-N 3.5Å
124A45.5Very low61.4Low65 Ų65109.6 Ų109.654%0.53766%0.662SS.*  trans-44.493.5157.600000104.8S122 S126S122-A124 PolarHBondContact O-N 3.43Å; S122-A124 WeakPolarHBondContact OG-CB 3.13Å; A124-S126 PolarHBondContact O-N 3.18Å
125A49.3Very low60.3Low81 Ų81111 Ų11167%0.66969%0.686SS**  35.860.9122.500000109.2L123 D127L123-A125 PolarHBondContact O-N 3.5Å; A125-D127 PolarHBondContact O-N 3.15Å
126S51.3Low59.1Low100 Ų100109 Ų10970%0.69970%0.698SS**  trans-53.6107.4156.949.90000102.3A124 V128A124-S126 PolarHBondContact O-N 3.18Å; S126-V128 VanDerWaalsContact C-N 3.25Å; S126-V128 WeakPolarHBondContact O-CA 3.29Å; S126-V128 WeakPolarHBondContact O-CG2 3.35Å; S126-V128 PolarHBondContact O-N 3.29Å
127D51.5Low57.9Low152 Ų152111.4 Ų111.481%0.81370%0.702SS**  trans-21.490.3-172.8-97.2-34.7000110A125 T129A125-D127 PolarHBondContact O-N 3.15Å; D127-T129 PolarHBondContact O-N 3.47Å
128V58.7Low56.8Low105 Ų105111.3 Ų111.364%0.63669%0.692SS**  trans-79.286.9174.3177.60000100.5S126 I130S126-V128 VanDerWaalsContact C-N 3.25Å; S126-V128 WeakPolarHBondContact O-CA 3.29Å; S126-V128 WeakPolarHBondContact O-CG2 3.35Å; S126-V128 PolarHBondContact O-N 3.29Å; V128-I130 HydrophobicContact CG1-CG1 4.21Å; V128-I130 PolarHBondContact O-N 3.34Å
129T56.3Low56Low116 Ų116114.5 Ų114.571%0.71269%0.694SS**  trans-61.393.3166.753.50000104.6D127 P131D127-T129 PolarHBondContact O-N 3.47Å; T129-P131 WeakPolarHBondContact O-CD 3.26Å; T129-P131 VanDerWaalsContact O-N 3.1Å
130I59.1Low54.8Low112 Ų112116.9 Ų116.957%0.57470%0.698SS**  trans-62.1110.6171.5-64.7176.7000104.5V128 E132 L152V128-I130 HydrophobicContact CG1-CG1 4.21Å; V128-I130 PolarHBondContact O-N 3.34Å; I130-E132 PolarHBondContact O-N 2.86Å; I130-L152 HydrophobicContact CB-CD2 3.98Å; I130-L152 HydrophobicContact CD1-CD2 4.03Å; I130-L152 HydrophobicContact CG1-CD2 3.67Å; I130-L152 HydrophobicContact CG2-CD2 3.38Å
131P58.7Low54.3Low94 Ų94119.3 Ų119.361%0.6170%0.697SS**  trans-66.3126.217728.1-31.4000107.7T129 V133T129-P131 WeakPolarHBondContact O-CD 3.26Å; T129-P131 VanDerWaalsContact O-N 3.1Å; P131-V133 PolarHBondContact O-N 3.5Å
132E62.3Low54.2Low194 Ų194117.9 Ų117.991%0.90769%0.687SS**  trans-66.3100.2168.5-73.7-174.9169.200108.3I130 S134I130-E132 PolarHBondContact O-N 2.86Å; E132-S134 PolarHBondContact O-N 3.06Å
133V61.9Low54.3Low56 Ų56122.5 Ų122.534%0.33970%0.697SS.*  trans-76.6105.7177.2-1770000108.7P131P131-V133 PolarHBondContact O-N 3.5Å
134S58.2Low54.5Low68 Ų68118.9 Ų118.948%0.47668%0.683SS.*  trans-66.7135.2160.387.70000108.1E132 A136 E137E132-S134 PolarHBondContact O-N 3.06Å; S134-A136 PolarHBondContact O-N 3.1Å; S134-E137 PolarHBondContact O-N 2.89Å
135A57.7Low55.1Low97 Ų97117.8 Ų117.880%0.80267%0.674SS**THydrogen-bonded Turntrans-62.7-4.5-168.800000115
136A55Low55.5Low93 Ų93116.1 Ų116.177%0.76966%0.657SS**THydrogen-bonded Turntrans-93.6-10.8-173.400000115.1S134S134-A136 PolarHBondContact O-N 3.1Å
137E54.5Low56Low158 Ų158115 Ų11574%0.73864%0.642SS**  trans-109.420-169.5-95.9166167.100115.9S134 R139S134-E137 PolarHBondContact O-N 2.89Å; E137-R139 PolarHBondContact O-N 3.01Å
138L51.5Low56.5Low115 Ų115110.3 Ų110.360%0.60263%0.625SS**  trans-74.261.4172.5-107.6132.8000112.1C146L138-C146 HydrophobicContact CD2-CB 4.4Å; L138-C146 VanDerWaalsContact CD2-SG 3.54Å
139R48.7Very low56.6Low218 Ų218107.1 Ų107.182%0.82361%0.609SS**  trans-97.498.1166.9-80-177.3177.2160.70.3109.4E137 H141E137-R139 PolarHBondContact O-N 3.01Å; R139-H141 PolarHBondContact O-N 3Å
140V44.5Very low56.7Low145 Ų145107.8 Ų107.888%0.87961%0.606SS**  trans40.155.1151.9-79.20000116.6
141H45.8Very low56.6Low158 Ų158107.3 Ų107.373%0.73160%0.598SS**SBendtrans-89.6136.3145.2-84-91.6000107.1R139 A145R139-H141 PolarHBondContact O-N 3Å; H141-A145 HydrophobicContact CB-CB 4.03Å
142S57.1Low56.7Low83 Ų83106.4 Ų106.458%0.5859%0.587SS**  trans-27.4148.2-169.4600000116V144 A145 C146S142-V144 CarbonylContact O-C 3.52Å; S142-V144 PolarHBondContact O-N 3.22Å; S142-A145 WeakPolarHBondContact O-CA 3.21Å; S142-A145 WeakPolarHBondContact O-CB 3.18Å; S142-A145 PolarHBondContact O-N 2.65Å; S142-C146 PolarHBondContact O-N 2.64Å
143F57.7Low56.3Low177 Ų177104.8 Ų104.878%0.77658%0.577SS**Hα-helixtrans-43.8-32.3180-139.5-94.5000114.1C146 L147F143-C146 PolarHBondContact O-N 3.32Å; F143-L147 HydrophobicContact CD1-CD1 4.07Å; F143-L147 HydrophobicContact CE1-CD1 4.48Å; F143-L147 PolarHBondContact O-N 3.1Å
144V59.8Low56Low109 Ų109107.9 Ų107.966%0.66159%0.588SS**Hα-helixtrans-67.5-40.1176.1-171.50000113S142 A148S142-V144 CarbonylContact O-C 3.52Å; S142-V144 PolarHBondContact O-N 3.22Å; V144-A148 WeakPolarHBondContact O-CB 3.4Å; V144-A148 PolarHBondContact O-N 3.31Å
145A57.7Low55.9Low43 Ų43108.1 Ų108.136%0.35560%0.601SS.*Hα-helixtrans-68.6-36.7174.900000112H141 S142 A148 A149H141-A145 HydrophobicContact CB-CB 4.03Å; S142-A145 WeakPolarHBondContact O-CA 3.21Å; S142-A145 WeakPolarHBondContact O-CB 3.18Å; S142-A145 PolarHBondContact O-N 2.65Å; A145-A148 PolarHBondContact O-N 3.06Å; A145-A149 WeakPolarHBondContact O-CB 3.2Å; A145-A149 PolarHBondContact O-N 3.26Å
146C57.6Low55.8Low46 Ų46108.8 Ų108.831%0.31159%0.59SS.*Hα-helixtrans-65.2-47.4175.1-173.60000111.9L138 S142 F143 A148 A149 M150L138-C146 HydrophobicContact CD2-CB 4.4Å; L138-C146 VanDerWaalsContact CD2-SG 3.54Å; S142-C146 PolarHBondContact O-N 2.64Å; F143-C146 PolarHBondContact O-N 3.32Å; C146-A148 PolarHBondContact O-N 3.16Å; C146-A149 PolarHBondContact O-N 3.18Å; C146-M150 PolarHBondContact O-N 2.9Å
147L61.9Low55.8Low76 Ų76106.6 Ų106.640%0.39857%0.565SS.*Hα-helixtrans-60.1-45.6174.3-86.4160.4000111.7F143 A149 M150 Y151F143-L147 HydrophobicContact CD1-CD1 4.07Å; F143-L147 HydrophobicContact CE1-CD1 4.48Å; F143-L147 PolarHBondContact O-N 3.1Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 3.22Å; L147-M150 PolarHBondContact O-N 2.9Å; L147-Y151 HydrophobicContact CD2-CE2 3.77Å; L147-Y151 WeakPolarHBondContact O-CD2 3.14Å; L147-Y151 PolarHBondContact O-N 2.74Å; L147-Y151 VanDerWaalsContact O-N 3.1Å
148A62.7Low55.9Low54 Ų54106.9 Ų106.945%0.44656%0.564SS.*Hα-helixtrans-59.9-37.7177.500000112.8V144 A145 C146 L152V144-A148 WeakPolarHBondContact O-CB 3.4Å; V144-A148 PolarHBondContact O-N 3.31Å; A145-A148 PolarHBondContact O-N 3.06Å; C146-A148 PolarHBondContact O-N 3.16Å; A148-L152 WeakPolarHBondContact O-CD1 3.36Å; A148-L152 PolarHBondContact O-N 3.49Å
149A59.3Low56.2Low37 Ų37109 Ų10931%0.30657%0.57SS.*Hα-helixtrans-71.2-37.117600000113.2A145 C146 L147 L152A145-A149 WeakPolarHBondContact O-CB 3.2Å; A145-A149 PolarHBondContact O-N 3.26Å; C146-A149 PolarHBondContact O-N 3.18Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 3.22Å; A149-L152 PolarHBondContact O-N 3.43Å
150M58.5Low56.9Low130 Ų130104.8 Ų104.864%0.6456%0.564SS**Hα-helixtrans-64.8-42.2176.1-74.4-165.279.700112.1C146 L147C146-M150 PolarHBondContact O-N 2.9Å; L147-M150 PolarHBondContact O-N 2.9Å
151Y58Low57.8Low102 Ų10299.7 Ų99.740%0.453%0.531SS..Hα-helixtrans-69.3-35.7178.7-73.4-70.2000111.9L147 K153 Q154 I157 I161L147-Y151 HydrophobicContact CD2-CE2 3.77Å; L147-Y151 WeakPolarHBondContact O-CD2 3.14Å; L147-Y151 PolarHBondContact O-N 2.74Å; L147-Y151 VanDerWaalsContact O-N 3.1Å; Y151-K153 VanDerWaalsContact C-N 3.25Å; Y151-K153 PolarHBondContact O-N 3.42Å; Y151-Q154 PolarHBondContact O-N 3.42Å; Y151-I157 WeakPolarHBondContact O-CD1 3.46Å; Y151-I161 HydrophobicContact CD1-CD1 4.12Å
152L59.4Low59Low76 Ų7696.6 Ų96.640%0.39852%0.519SS..Hα-helixtrans-60.1-28.5179.1-113.594.6000114.8I130 A148 A149 Q154 I157I130-L152 HydrophobicContact CB-CD2 3.98Å; I130-L152 HydrophobicContact CD1-CD2 4.03Å; I130-L152 HydrophobicContact CG1-CD2 3.67Å; I130-L152 HydrophobicContact CG2-CD2 3.38Å; A148-L152 WeakPolarHBondContact O-CD1 3.36Å; A148-L152 PolarHBondContact O-N 3.49Å; A149-L152 PolarHBondContact O-N 3.43Å; L152-Q154 VanDerWaalsContact C-N 3.27Å; L152-Q154 PolarHBondContact O-N 2.87Å; L152-I157 HydrophobicContact CG-CD1 4.48Å
153K54Low59.7Low159 Ų15999.9 Ų99.969%0.69152%0.524SS*.THydrogen-bonded Turntrans-70.9-15.6179.6-82.4-107-179.8-178.90114.3Y151Y151-K153 VanDerWaalsContact C-N 3.25Å; Y151-K153 PolarHBondContact O-N 3.42Å
154Q55.9Low60.8Low122 Ų12294.4 Ų94.457%0.5751%0.506SS*.THydrogen-bonded Turntrans-95.31.1-169.4-75171.9-1300115.5Y151 L152 I156Y151-Q154 PolarHBondContact O-N 3.42Å; L152-Q154 VanDerWaalsContact C-N 3.27Å; L152-Q154 PolarHBondContact O-N 2.87Å; Q154-I156 WeakPolarHBondContact O-CG1 3.43Å; Q154-I156 PolarHBondContact O-N 2.99Å
155G56.4Low61.6Low73 Ų7392.8 Ų92.875%0.75349%0.49SS*.SBendtrans65.8-2.8168.300000117.8
156I56Low62.7Low111 Ų11193.8 Ų93.857%0.56949%0.494SS*.  trans-94.823.5-175.2-59.9155.1000113.2Q154 K158 L160Q154-I156 WeakPolarHBondContact O-CG1 3.43Å; Q154-I156 PolarHBondContact O-N 2.99Å; I156-K158 PolarHBondContact O-N 2.98Å; I156-L160 HydrophobicContact CG2-CB 4.48Å; I156-L160 HydrophobicContact CG2-CD1 4.35Å
157I55.6Low63.9Low46 Ų4695.3 Ų95.324%0.23651%0.511CS..THydrogen-bonded Turntrans-112.244.2-147.1-39.8162.2000115.7Y151 L152 I161Y151-I157 WeakPolarHBondContact O-CD1 3.46Å; L152-I157 HydrophobicContact CG-CD1 4.48Å; I157-I161 HydrophobicContact CG1-CD1 4.41Å; I157-I161 HydrophobicContact CG2-CB 4.21Å; I157-I161 HydrophobicContact CG2-CD1 4.42Å; I157-I161 HydrophobicContact CG2-CG2 4.42Å
158K57Low65.2Low164 Ų16495 Ų9571%0.71352%0.519SS*.THydrogen-bonded Turntrans-116.4-51.9164.2-71.5-175.1179.6175.70112.2I156 L162I156-K158 PolarHBondContact O-N 2.98Å; K158-L162 WeakPolarHBondContact O-CB 3.33Å
159E57.1Low66.2Low159 Ų15994.1 Ų94.174%0.74352%0.515SS*.THydrogen-bonded Turntrans-87.6-44.7-173.3-60.1-56144.500113.4
160L62.8Low67.4Low131 Ų13198.3 Ų98.369%0.68653%0.532SS*.THydrogen-bonded Turntrans-79.7-24.9-168.6-107.3124.4000115.4I156 P164I156-L160 HydrophobicContact CG2-CB 4.48Å; I156-L160 HydrophobicContact CG2-CD1 4.35Å; L160-P164 WeakPolarHBondContact O-CG 3.18Å
161I64.8Low68.4Low38 Ų3896.8 Ų96.820%0.19553%0.526CS..THydrogen-bonded Turntrans-116.7-42.6-173.8-60.1173000110.1Y151 I157 F163 P164 F165Y151-I161 HydrophobicContact CD1-CD1 4.12Å; I157-I161 HydrophobicContact CG1-CD1 4.41Å; I157-I161 HydrophobicContact CG2-CB 4.21Å; I157-I161 HydrophobicContact CG2-CD1 4.42Å; I157-I161 HydrophobicContact CG2-CG2 4.42Å; I161-F163 PolarHBondContact O-N 3.36Å; I161-P164 WeakPolarHBondContact O-CD 3.3Å; I161-F165 HydrophobicContact CB-CD2 4.41Å; I161-F165 HydrophobicContact CB-CE2 4.45Å; I161-F165 HydrophobicContact CG2-CD2 3.59Å; I161-F165 HydrophobicContact CG2-CE2 3.61Å; I161-F165 HydrophobicContact CG2-CG 4.2Å; I161-F165 HydrophobicContact CG2-CZ 4.26Å; I161-F165 VanDerWaalsContact O-CB 3.26Å; I161-F165 WeakPolarHBondContact O-CB 3.35Å; I161-F165 WeakPolarHBondContact O-CD2 3.07Å; I161-F165 WeakPolarHBondContact O-CG 3.45Å; I161-F165 PolarHBondContact O-N 3.29Å
162L69Low69.5Low92 Ų9296.3 Ų96.348%0.48253%0.534SS..Hα-helixtrans-64.5-44.8-174.9-160.175.5000111.7K158 S166 L171K158-L162 WeakPolarHBondContact O-CB 3.33Å; L162-S166 WeakPolarHBondContact O-CA 3.4Å; L162-S166 WeakPolarHBondContact O-CB 3.37Å; L162-S166 PolarHBondContact O-N 3.35Å; L162-L171 HydrophobicContact CD1-CD1 3.51Å; L162-L171 HydrophobicContact CG-CD1 4.09Å
163F72.7Confident70.5Confident153 Ų153100.5 Ų100.567%0.67154%0.544SS*.Hα-helixtrans-63.6-53.6-179.1-171.6-95.6000112.8I161 F165 S166 A167I161-F163 PolarHBondContact O-N 3.36Å; F163-F165 PolarHBondContact O-N 2.9Å; F163-S166 PolarHBondContact O-N 2.7Å; F163-A167 VanDerWaalsContact O-CB 3.28Å; F163-A167 WeakPolarHBondContact O-CB 3.49Å; F163-A167 PolarHBondContact O-N 3.16Å
164P81Confident72.2Confident61 Ų6197.2 Ų97.240%0.39653%0.534SS..Hα-helixtrans-65.5-36.617920.4-29.2000113.2L160 I161 A167 A168L160-P164 WeakPolarHBondContact O-CG 3.18Å; I161-P164 WeakPolarHBondContact O-CD 3.3Å; P164-A167 PolarHBondContact O-N 3.3Å; P164-A168 WeakPolarHBondContact O-CB 2.96Å; P164-A168 PolarHBondContact O-N 3.47Å
165F76.1Confident73.8Confident75 Ų75100.1 Ų100.133%0.32954%0.54SS..Hα-helixtrans-74.7-31178.8-75.2-111.2000112.4I161 F163 G169 L170 L171I161-F165 HydrophobicContact CB-CD2 4.41Å; I161-F165 HydrophobicContact CB-CE2 4.45Å; I161-F165 HydrophobicContact CG2-CD2 3.59Å; I161-F165 HydrophobicContact CG2-CE2 3.61Å; I161-F165 HydrophobicContact CG2-CG 4.2Å; I161-F165 HydrophobicContact CG2-CZ 4.26Å; I161-F165 VanDerWaalsContact O-CB 3.26Å; I161-F165 WeakPolarHBondContact O-CB 3.35Å; I161-F165 WeakPolarHBondContact O-CD2 3.07Å; I161-F165 WeakPolarHBondContact O-CG 3.45Å; I161-F165 PolarHBondContact O-N 3.29Å; F163-F165 PolarHBondContact O-N 2.9Å; F165-G169 PolarHBondContact O-N 2.72Å; F165-L170 HydrophobicContact CB-CB 4.48Å; F165-L170 HydrophobicContact CD1-CB 4.3Å; F165-L170 HydrophobicContact CD1-CD1 3.54Å; F165-L170 HydrophobicContact CE1-CD1 4.04Å; F165-L170 HydrophobicContact CG-CD1 4.27Å; F165-L170 PolarHBondContact O-N 3.33Å; F165-L171 HydrophobicContact CB-CD1 4.02Å; F165-L171 HydrophobicContact CB-CG 4.02Å
166S80.8Confident75.4Confident64 Ų64106.7 Ų106.745%0.44854%0.542SS..Hα-helixtrans-67.5-47.6170-174.60000110.8L162 F163 A168 G169L162-S166 WeakPolarHBondContact O-CA 3.4Å; L162-S166 WeakPolarHBondContact O-CB 3.37Å; L162-S166 PolarHBondContact O-N 3.35Å; F163-S166 PolarHBondContact O-N 2.7Å; S166-A168 VanDerWaalsContact C-N 3.29Å; S166-A168 PolarHBondContact O-N 3.08Å; S166-G169 WeakPolarHBondContact O-CA 3.27Å; S166-G169 PolarHBondContact O-N 3.09Å
167A83.2Confident77Confident79 Ų79110.1 Ų110.165%0.65355%0.548SS*.Hα-helixtrans-61.8-36.7176.600000112.2F163 P164 G169F163-A167 VanDerWaalsContact O-CB 3.28Å; F163-A167 WeakPolarHBondContact O-CB 3.49Å; F163-A167 PolarHBondContact O-N 3.16Å; P164-A167 PolarHBondContact O-N 3.3Å; A167-G169 PolarHBondContact O-N 3.01Å
168A88.1Confident78.9Confident69 Ų69116.8 Ų116.857%0.5758%0.577SS**THydrogen-bonded Turntrans-72.7-5.2172.700000113.7P164 S166 L170P164-A168 WeakPolarHBondContact O-CB 2.96Å; P164-A168 PolarHBondContact O-N 3.47Å; S166-A168 VanDerWaalsContact C-N 3.29Å; S166-A168 PolarHBondContact O-N 3.08Å; A168-L170 VanDerWaalsContact C-N 3.25Å; A168-L170 HydrophobicContact CB-CD1 4.09Å; A168-L170 HydrophobicContact CB-CG 4.16Å; A168-L170 PolarHBondContact O-N 3.12Å
169G84.5Confident80.7Confident36 Ų36113 Ų11337%0.37156%0.563SS.*THydrogen-bonded Turntrans75.56.3179.300000115F165 S166 A167 L171 T172F165-G169 PolarHBondContact O-N 2.72Å; S166-G169 WeakPolarHBondContact O-CA 3.27Å; S166-G169 PolarHBondContact O-N 3.09Å; A167-G169 PolarHBondContact O-N 3.01Å; G169-L171 VanDerWaalsContact C-N 3.31Å; G169-L171 PolarHBondContact O-N 2.89Å; G169-T172 PolarHBondContact O-N 3.31Å
170L84.1Confident82.5Confident124 Ų124114.2 Ų114.265%0.64956%0.56SS**THydrogen-bonded Turntrans-70.5-27.2-176.2-68168.2000112.9F165 A168F165-L170 HydrophobicContact CB-CB 4.48Å; F165-L170 HydrophobicContact CD1-CB 4.3Å; F165-L170 HydrophobicContact CD1-CD1 3.54Å; F165-L170 HydrophobicContact CE1-CD1 4.04Å; F165-L170 HydrophobicContact CG-CD1 4.27Å; F165-L170 PolarHBondContact O-N 3.33Å; A168-L170 VanDerWaalsContact C-N 3.25Å; A168-L170 HydrophobicContact CB-CD1 4.09Å; A168-L170 HydrophobicContact CB-CG 4.16Å; A168-L170 PolarHBondContact O-N 3.12Å
171L79.1Confident84Confident98 Ų98114.4 Ų114.451%0.51356%0.556SS.*THydrogen-bonded Turntrans-89.1-8.6178.4-60.3174.5000113.1L162 F165 G169L162-L171 HydrophobicContact CD1-CD1 3.51Å; L162-L171 HydrophobicContact CG-CD1 4.09Å; F165-L171 HydrophobicContact CB-CD1 4.02Å; F165-L171 HydrophobicContact CB-CG 4.02Å; G169-L171 VanDerWaalsContact C-N 3.31Å; G169-L171 PolarHBondContact O-N 2.89Å
172T81.6Confident85.5Confident93 Ų93117 Ų11757%0.57157%0.566SS**SBendtrans-85.4122179.9-58.60000109.7G169 D174G169-T172 PolarHBondContact O-N 3.31Å; T172-D174 PolarHBondContact O-N 3.31Å
173R81.7Confident86.7Confident163 Ų163119.8 Ų119.862%0.61559%0.586SS**PPolyproline II helixtrans-60.2120.3171.6-178.3-179.2-178.1157.85.1109.7W175R173-W175 PolarHBondContact O-N 3.39Å; R173-W175 PolarHBondContact O-NE1 2.97Å
174D89.1Confident87.7Confident91 Ų91115.3 Ų115.349%0.48758%0.583SS.*PPolyproline II helixtrans-68.1116.4173.4-163.6-15.6000110T172 R176T172-D174 PolarHBondContact O-N 3.31Å; D174-R176 VanDerWaalsContact C-N 3.35Å; D174-R176 WeakPolarHBondContact OD1-CB 3.47Å; D174-R176 WeakPolarHBondContact OD1-CG 3.01Å; D174-R176 PolarHBondContact OD1-N 3.38Å; D174-R176 IonicContact OD1-NE 3.12Å; D174-R176 PolarHBondContact OD1-NE 3.29Å; D174-R176 VanDerWaalsContact OD1-NE 3.12Å; D174-R176 IonicContact OD2-CZ 3.24Å; D174-R176 VanDerWaalsContact OD2-CZ 3.24Å; D174-R176 IonicContact OD2-NE 2.92Å; D174-R176 PolarHBondContact OD2-NE 2.97Å; D174-R176 IonicContact OD2-NH2 2.73Å; D174-R176 PolarHBondContact OD2-NH2 3.27Å
175W88.4Confident88.3Confident182 Ų182114.4 Ų114.469%0.68957%0.573SS**  trans-86.5-7.2178.6-58.895.6000112.6R173 R177R173-W175 PolarHBondContact O-N 3.39Å; R173-W175 PolarHBondContact O-NE1 2.97Å; W175-R177 PolarHBondContact O-N 3.02Å; W175-R177 VanDerWaalsContact O-N 3.1Å
176R90.2Very high89.2Confident212 Ų212112.4 Ų112.480%0.857%0.568SS**  trans-61.9115.5-179.9-69.3-179.5-70.4-175.9-1.3109.5D174D174-R176 VanDerWaalsContact C-N 3.35Å; D174-R176 WeakPolarHBondContact OD1-CB 3.47Å; D174-R176 WeakPolarHBondContact OD1-CG 3.01Å; D174-R176 PolarHBondContact OD1-N 3.38Å; D174-R176 IonicContact OD1-NE 3.12Å; D174-R176 PolarHBondContact OD1-NE 3.29Å; D174-R176 VanDerWaalsContact OD1-NE 3.12Å; D174-R176 IonicContact OD2-CZ 3.24Å; D174-R176 VanDerWaalsContact OD2-CZ 3.24Å; D174-R176 IonicContact OD2-NE 2.92Å; D174-R176 PolarHBondContact OD2-NE 2.97Å; D174-R176 IonicContact OD2-NH2 2.73Å; D174-R176 PolarHBondContact OD2-NH2 3.27Å
177R90.8Very high89.9Confident183 Ų183110.3 Ų110.369%0.69156%0.556SS**  trans-123.1145.8173.5-66.2-178-175-175.62.7108.2W175 E179W175-R177 PolarHBondContact O-N 3.02Å; W175-R177 VanDerWaalsContact O-N 3.1Å; R177-E179 PolarHBondContact O-N 2.96Å; R177-E179 VanDerWaalsContact O-N 3.07Å
178H94.4Very high90.4Very high185 Ų185107.7 Ų107.786%0.85654%0.535SS*.PPolyproline II helixtrans-54.8117.5177-179.4-84.9000110
179E94.3Very high90.7Very high86 Ų86113 Ų11340%0.40254%0.54SS..PPolyproline II helixtrans-64.7137.3179.3-70.9-177.6-179.100110.3R177 A188 R189R177-E179 PolarHBondContact O-N 2.96Å; R177-E179 VanDerWaalsContact O-N 3.07Å; E179-A188 HydrophobicContact CB-CB 3.73Å; E179-R189 IonicContact OE1-CZ 3.46Å; E179-R189 IonicContact OE1-NE 3.37Å; E179-R189 PolarHBondContact OE1-NE 3.07Å; E179-R189 IonicContact OE1-NH2 2.7Å; E179-R189 PolarHBondContact OE1-NH2 3.41Å; E179-R189 IonicContact OE2-CZ 3.72Å; E179-R189 IonicContact OE2-NE 2.93Å; E179-R189 PolarHBondContact OE2-NE 3.41Å; E179-R189 IonicContact OE2-NH2 3.67Å
180R95.6Very high91.2Very high183 Ų183118.6 Ų118.669%0.69155%0.554SS**PPolyproline II helixtrans-66.9152.6177.670.2175.3-175.283.8-6112.1
181K94.8Very high91.7Very high136 Ų136118.6 Ų118.659%0.59155%0.549SS*.PPolyproline II helixtrans-66.3143169.2-173.4175.1178.2177.50110.9Q185 P186K181-Q185 WeakPolarHBondContact CE-O 3.07Å; K181-P186 WeakPolarHBondContact CE-O 3.44Å
182K95Very high92.4Very high93 Ų93122.4 Ų122.440%0.40456%0.557SS.*PPolyproline II helixtrans-99.5140.1175.6-65.7175.7-175.6171.50110.1Q185K182-Q185 HydrophobicContact CB-CB 4.31Å; K182-Q185 HydrophobicContact CB-CG 4.46Å; K182-Q185 PolarHBondContact O-N 3.2Å
183V95.2Very high93Very high150 Ų150124.4 Ų124.491%0.90957%0.569SS**THydrogen-bonded Turntrans-61138.8175.3-173.60000109Q185V183-Q185 VanDerWaalsContact C-N 3.29Å; V183-Q185 PolarHBondContact O-N 3.43Å
184G93Very high93.5Very high59 Ų59126.5 Ų126.561%0.60858%0.577SS**THydrogen-bonded Turntrans76.28.3-17600000115.1W192G184-W192 PolarHBondContact O-NE1 3.45Å
185Q94.7Very high93.7Very high41 Ų41131 Ų13119%0.19259%0.592CS.*SBendtrans-128146.4177-67.317328.500110.8K181 K182 V183 G187 K191K181-Q185 WeakPolarHBondContact CE-O 3.07Å; K182-Q185 HydrophobicContact CB-CB 4.31Å; K182-Q185 HydrophobicContact CB-CG 4.46Å; K182-Q185 PolarHBondContact O-N 3.2Å; V183-Q185 VanDerWaalsContact C-N 3.29Å; V183-Q185 PolarHBondContact O-N 3.43Å; Q185-G187 VanDerWaalsContact C-N 3.3Å; Q185-G187 PolarHBondContact O-N 2.73Å; Q185-K191 HydrophobicContact CG-CD 4.12Å
186P94.8Very high93.7Very high34 Ų34130.4 Ų130.422%0.22159%0.594CS.*SBendtrans-68.5-26.9178.925.3-34.1000113K181 K190 W192K181-P186 WeakPolarHBondContact CE-O 3.44Å; P186-K190 HydrophobicContact CB-CD 4.44Å; P186-K190 WeakPolarHBondContact CD-O 3.49Å; P186-K190 HydrophobicContact CG-CB 4.03Å; P186-K190 HydrophobicContact CG-CD 4.11Å; P186-K190 HydrophobicContact CG-CG 3.77Å; P186-K190 WeakPolarHBondContact CG-O 3.45Å; P186-W192 HydrophobicContact CB-CD2 4.33Å; P186-W192 HydrophobicContact CB-CE3 4.25Å; P186-W192 HydrophobicContact CB-CH2 4.02Å; P186-W192 HydrophobicContact CB-CZ2 4.09Å; P186-W192 HydrophobicContact CB-CZ3 4.1Å; P186-W192 HydrophobicContact CG-CD2 4.13Å; P186-W192 HydrophobicContact CG-CE3 4.28Å
187G94.5Very high93.7Very high19 Ų19135 Ų13520%0.19661%0.611CS.*SBendtrans-144.8-165.7178.100000113.4Q185Q185-G187 VanDerWaalsContact C-N 3.3Å; Q185-G187 PolarHBondContact O-N 2.73Å
188A94.5Very high93.8Very high25 Ų25132.6 Ų132.621%0.20761%0.608CS.*SBendtrans-64.5-40.3176.700000112.4E179E179-A188 HydrophobicContact CB-CB 3.73Å
189R94.3Very high93.8Very high180 Ų180129.8 Ų129.868%0.67959%0.594SS**SBendtrans-122.7-30-179.5-62.2-173.9174.5-129.74.1114.3E179 K191E179-R189 IonicContact OE1-CZ 3.46Å; E179-R189 IonicContact OE1-NE 3.37Å; E179-R189 PolarHBondContact OE1-NE 3.07Å; E179-R189 IonicContact OE1-NH2 2.7Å; E179-R189 PolarHBondContact OE1-NH2 3.41Å; E179-R189 IonicContact OE2-CZ 3.72Å; E179-R189 IonicContact OE2-NE 2.93Å; E179-R189 PolarHBondContact OE2-NE 3.41Å; E179-R189 IonicContact OE2-NH2 3.67Å; R189-K191 PolarHBondContact O-N 2.72Å
190K95.7Very high93.7Very high154 Ų154132.2 Ų132.267%0.6761%0.605SS**PPolyproline II helixtrans-59.3135.1178.9-170.9178.6179.7173.80110.3P186P186-K190 HydrophobicContact CB-CD 4.44Å; P186-K190 WeakPolarHBondContact CD-O 3.49Å; P186-K190 HydrophobicContact CG-CB 4.03Å; P186-K190 HydrophobicContact CG-CD 4.11Å; P186-K190 HydrophobicContact CG-CG 3.77Å; P186-K190 WeakPolarHBondContact CG-O 3.45Å
191K94.4Very high93.6Very high124 Ų124129.2 Ų129.254%0.53960%0.6SS.*PPolyproline II helixtrans-102.7158174.2-55.3-57.8-177.7-178.30110.5Q185 R189Q185-K191 HydrophobicContact CG-CD 4.12Å; R189-K191 PolarHBondContact O-N 2.72Å
192W93.4Very high93.6Very high178 Ų178128.8 Ų128.867%0.67460%0.601SS**PPolyproline II helixtrans-64.1149.7165.5-64.5114.1000109.8G184 P186 W194G184-W192 PolarHBondContact O-NE1 3.45Å; P186-W192 HydrophobicContact CB-CD2 4.33Å; P186-W192 HydrophobicContact CB-CE3 4.25Å; P186-W192 HydrophobicContact CB-CH2 4.02Å; P186-W192 HydrophobicContact CB-CZ2 4.09Å; P186-W192 HydrophobicContact CB-CZ3 4.1Å; P186-W192 HydrophobicContact CG-CD2 4.13Å; P186-W192 HydrophobicContact CG-CE3 4.28Å; W192-W194 PolarHBondContact O-N 2.99Å
193T93.5Very high93.5Very high134 Ų134131.2 Ų131.282%0.82261%0.614SS**PPolyproline II helixtrans-61.8119.6174.7-47.80000109.3
194W92.5Very high93.3Very high207 Ų207129.9 Ų129.978%0.78459%0.593SS**  trans-84.5113.3174.2-178.865.5000109.3W192 K196W192-W194 PolarHBondContact O-N 2.99Å; W194-K196 HydrophobicContact CE3-CB 4.25Å; W194-K196 HydrophobicContact CH2-CB 4.07Å; W194-K196 HydrophobicContact CH2-CD 4.08Å; W194-K196 HydrophobicContact CH2-CG 3.74Å; W194-K196 HydrophobicContact CZ3-CB 3.83Å; W194-K196 HydrophobicContact CZ3-CD 3.96Å; W194-K196 HydrophobicContact CZ3-CG 3.88Å; W194-K196 PolarHBondContact O-N 3.03Å
195K92.8Very high93.4Very high186 Ų186135.3 Ų135.381%0.80959%0.591SS**  trans-83.5106.6175.4-66.8-174.2177.7-175.50109
196K90.4Very high93.2Very high169 Ų169143.2 Ų143.274%0.73563%0.625SS**  trans-72.7131.5171.4-164.9175.7-177.4-174.30108.6W194W194-K196 HydrophobicContact CE3-CB 4.25Å; W194-K196 HydrophobicContact CH2-CB 4.07Å; W194-K196 HydrophobicContact CH2-CD 4.08Å; W194-K196 HydrophobicContact CH2-CG 3.74Å; W194-K196 HydrophobicContact CZ3-CB 3.83Å; W194-K196 HydrophobicContact CZ3-CD 3.96Å; W194-K196 HydrophobicContact CZ3-CG 3.88Å; W194-K196 PolarHBondContact O-N 3.03Å
197R88.2Confident93.1Very high308 Ų308153.1 Ų153.1100%1.16266%0.662SS**  trans-89.30174.2-69-174.5-178.3166.5-0.4110.4

Retrieved 197 of 197 residues in 74.4 ms (Link to these results)