A0A068BES0_MOUSE Loading...

CD320 antigen isoform 002

AlphaFold DB , UniProt , Accession A0A068BES0, Species MOUSE (Mus musculus, Mouse), Gene Cd320, Length 246 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
1M33.1Very low41.9Very low227 Ų227164.9 Ų164.9100%1.11884%0.837SS**  0120.20-84.3148.573.100107.7
2W33.7Very low42.2Very low249 Ų249162.8 Ų162.894%0.94384%0.839SS**  trans69105.3167.6-63.456.8000116.3
3A39.1Very low42.4Very low101 Ų101157.4 Ų157.484%0.83582%0.824SS**  88.7131.361.700000113.4
4G39.7Very low42.1Very low73 Ų73158.4 Ų158.475%0.75382%0.822SS**  trans124.474.9166.900000113.2
5R49.8Very low41.9Very low248 Ų248159.7 Ų159.794%0.93682%0.822SS**  45.6103.684-91.4-173.3173.7-135.1-0.6115.3
6L43.9Very low42Very low143 Ų143155.8 Ų155.875%0.74982%0.821SS**  trans17.5115.8138.1-102.674.8000116.9F8L6-F8 HydrophobicContact CD2-CD2 3.77Å; L6-F8 HydrophobicContact CD2-CE2 3.81Å; L6-F8 HydrophobicContact CG-CD2 3.98Å; L6-F8 HydrophobicContact CG-CE2 4.06Å
7L42.4Very low41.8Very low156 Ų156150.8 Ų150.882%0.81782%0.815SS**  trans-125.8100.6145.5-158.377.9000108.1L9L7-L9 HydrophobicContact CD2-CD1 3.95Å; L7-L9 HydrophobicContact CD2-CG 4.42Å; L7-L9 HydrophobicContact CG-CD1 4.41Å; L7-L9 HydrophobicContact CG-CG 4.38Å
8F43.8Very low41.9Very low180 Ų180151.5 Ų151.579%0.78982%0.818SS**  trans-76.8117161.4-89.6-95.2000107.4L6L6-F8 HydrophobicContact CD2-CD2 3.77Å; L6-F8 HydrophobicContact CD2-CE2 3.81Å; L6-F8 HydrophobicContact CG-CD2 3.98Å; L6-F8 HydrophobicContact CG-CE2 4.06Å
9L45.5Very low42.3Very low132 Ų132149.9 Ų149.969%0.69181%0.814SS**  trans-134.1101.1158.5-77175.4000110L7L7-L9 HydrophobicContact CD2-CD1 3.95Å; L7-L9 HydrophobicContact CD2-CG 4.42Å; L7-L9 HydrophobicContact CG-CD1 4.41Å; L7-L9 HydrophobicContact CG-CG 4.38Å
10I44.4Very low42.6Very low149 Ų149148.7 Ų148.776%0.76481%0.811SS**  trans54.9116.2134.8-44-171000118.5
11L45.5Very low42.7Very low156 Ų156152.7 Ų152.782%0.81782%0.815SS**  trans-52.8131.3162.5-70.4122.2000112.6
12T45.6Very low43.5Very low139 Ų139152.2 Ų152.285%0.85380%0.802SS**  trans-136.6114.214354.70000109.3
13S44.3Very low44.4Very low93 Ų93147.2 Ų147.265%0.6579%0.793SS**  trans-73.2158.3174.5-55.90000112.3
14H38.4Very low45Very low171 Ų171150.1 Ų150.179%0.79279%0.794SS**  trans93.7105.7155.6-74.6-76.2000121.1
15H39.9Very low45.4Very low178 Ų178151.4 Ų151.482%0.82480%0.797SS**  trans91.4122.4132.7-106.1-70.6000121.5
16A43.4Very low45.8Very low98 Ų98144.4 Ų144.481%0.8179%0.792SS**  trans87.6106.715000000118.7
17G38.5Very low46.2Very low70 Ų70141.3 Ų141.372%0.72279%0.794SS**  trans129.9130.2139.500000116.7
18L42.5Very low46.4Very low164 Ų164138.3 Ų138.386%0.85979%0.787SS**  trans86.196.8157-71.2129000120.9
19V51Low47.3Very low122 Ų122141.9 Ų141.974%0.73980%0.795SS**  43.4102.2114.5-173.10000116.8
20T47.3Very low47.9Very low125 Ų125139.6 Ų139.677%0.76780%0.795SS**  176.8106.6126.110.70000110.6
21R45.6Very low48.6Very low233 Ų233139 Ų13988%0.87979%0.794SS**  trans-14561.5150.5-77.6-156.5161.9-145.5-5.2110.4L23R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 3.2Å
22Y48.3Very low49.8Very low216 Ų216136.1 Ų136.185%0.84779%0.786SS**  trans-76.493.6146.9-84.4-88000106.7
23L52.6Low51.5Low144 Ų144130.3 Ų130.375%0.75475%0.751SS**  trans-119.496.4159.1-78.2175.7000107.3R21 A25R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L23 PolarHBondContact O-N 3.2Å; L23-A25 PolarHBondContact O-N 3.35Å
24L52.1Low53.1Low163 Ų163130.1 Ų130.185%0.85375%0.747SS**  trans-43.7116.4157.4-73.8126.9000109.5
25A48.7Very low54.8Low100 Ų100128 Ų12883%0.82675%0.747SS**  trans-111.181.4152.900000106.6L23 G27L23-A25 PolarHBondContact O-N 3.35Å; A25-G27 PolarHBondContact O-N 3.44Å
26A58.8Low56.5Low100 Ų100125.3 Ų125.383%0.82674%0.739SS**  trans-66116.6161.500000107.5
27G50.9Low58.3Low78 Ų78122.5 Ų122.580%0.80471%0.711SS**  trans17047.3-179.500000117.8A25A25-G27 PolarHBondContact O-N 3.44Å
28S48Very low60.5Low93 Ų93121 Ų12165%0.6569%0.685SS**  trans-139.198.5151.348.20000109.4A30S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 2.7Å; S28-A30 VanDerWaalsContact O-N 3.09Å
29R62.3Low62.6Low256 Ų256117.1 Ų117.197%0.96666%0.662SS**SBendtrans-77.189.6170.8-172155.573-175.86.9107.8
30A58.2Low64.5Low84 Ų84111.4 Ų111.469%0.69463%0.628SS**  trans164.274.9154.700000108.1S28S28-A30 VanDerWaalsContact C-N 3.34Å; S28-A30 PolarHBondContact O-N 2.7Å; S28-A30 VanDerWaalsContact O-N 3.09Å
31D59Low66.3Low137 Ų137112 Ų11273%0.73363%0.625SS**  trans-113.658.5-178.4-128.426.6000109.8
32S70.6Confident68Low94 Ų94106.3 Ų106.366%0.65762%0.617SS**PPolyproline II helixtrans-65.9135.5154.650.20000107.1
33C80.1Confident69.6Low18 Ų1898.9 Ų98.912%0.12260%0.597CS.*PPolyproline II helixtrans-47.6149.4174.2-680000111.5T37 Q39 C46C33-T37 WeakPolarHBondContact CB-OG1 3.06Å; C33-Q39 HydrophobicContact CB-CB 4.25Å; C33-Q39 WeakPolarHBondContact SG-CB 3.38Å; C33-Q39 WeakPolarHBondContact SG-CG 3.22Å; C33-C46 HydrophobicContact CB-CB 3.82Å; C33-C46 WeakPolarHBondContact CB-SG 3.04Å; C33-C46 WeakPolarHBondContact SG-CB 3.07Å; C33-C46 CovalentContact SG-SG 2.03Å; C33-C46 PolarHBondContact SG-SG 2.83Å
34P79.9Confident71Confident88 Ų8893.6 Ų93.657%0.57158%0.577SS**PPolyproline II helixtrans-46.2150.2171.4-2732.6000112.1D36 T37P34-D36 PolarHBondContact O-N 2.91Å; P34-T37 VanDerWaalsContact CD-OG1 3.29Å; P34-T37 WeakPolarHBondContact CD-OG1 3.47Å; P34-T37 PolarHBondContact O-N 2.93Å; P34-T37 PolarHBondContact O-OG1 2.97Å
35T72.3Confident72.7Confident128 Ų12892.6 Ų92.679%0.78556%0.563SS**THydrogen-bonded Turntrans-57.8-20.5-172.949.40000114.7L49T35-L49 WeakPolarHBondContact O-CD1 3.31Å
36D76.8Confident74.5Confident121 Ų12190 Ų9065%0.64754%0.538SS*.THydrogen-bonded Turntrans-98.713.4-178.5-54.6-31.8000113.2P34 L49P34-D36 PolarHBondContact O-N 2.91Å; D36-L49 WeakPolarHBondContact O-CG 3.31Å; D36-L49 PolarHBondContact O-N 3.39Å; D36-L49 VanDerWaalsContact O-N 3.07Å
37T81.2Confident75.7Confident38 Ų3885.2 Ų85.223%0.23350%0.499CS..EExtended strand (participates in β ladder)trans-132.1144.7-177.453.40000111.8C33 P34 V47C33-T37 WeakPolarHBondContact CB-OG1 3.06Å; P34-T37 VanDerWaalsContact CD-OG1 3.29Å; P34-T37 WeakPolarHBondContact CD-OG1 3.47Å; P34-T37 PolarHBondContact O-N 2.93Å; P34-T37 PolarHBondContact O-OG1 2.97Å; T37-V47 CarbonylContact C-O 3.52Å; T37-V47 WeakPolarHBondContact CA-O 3.5Å; T37-V47 WeakPolarHBondContact CB-O 3.27Å
38F83.9Confident77.2Confident38 Ų3883.6 Ų83.617%0.16747%0.474CS..EExtended strand (participates in β ladder)trans-92.2137.6172.7175.3-105.4000110.5C46 V47 L49 R52 S63 D64F38-C46 CarbonylContact O-C 3.53Å; F38-C46 VanDerWaalsContact O-CA 3.27Å; F38-C46 WeakPolarHBondContact O-CA 3.07Å; F38-V47 HydrophobicContact CB-CG2 3.92Å; F38-V47 HydrophobicContact CD1-CG2 3.87Å; F38-V47 HydrophobicContact CG-CG2 4.41Å; F38-V47 PolarHBondContact N-O 2.98Å; F38-V47 PolarHBondContact O-N 3.26Å; F38-L49 HydrophobicContact CB-CD2 4.09Å; F38-R52 HydrophobicContact CB-CB 4.34Å; F38-R52 HydrophobicContact CD2-CG 4.48Å; F38-R52 HydrophobicContact CG-CB 4.46Å; F38-R52 HydrophobicContact CG-CG 4.32Å; F38-S63 WeakPolarHBondContact CE1-O 3.29Å; F38-S63 WeakPolarHBondContact CZ-O 3.24Å; F38-D64 HydrophobicContact CD1-CB 4.22Å; F38-D64 HydrophobicContact CE1-CB 4.24Å
39Q88.1Confident78.5Confident83 Ų8382 Ų8239%0.38846%0.458SS..EExtended strand (participates in β ladder)trans-94.6117.4176.7-168.6162.525.700110.4C33 L41 G44 Y45C33-Q39 HydrophobicContact CB-CB 4.25Å; C33-Q39 WeakPolarHBondContact SG-CB 3.38Å; C33-Q39 WeakPolarHBondContact SG-CG 3.22Å; Q39-L41 PolarHBondContact O-N 3.03Å; Q39-G44 PolarHBondContact NE2-O 3.04Å; Q39-Y45 WeakPolarHBondContact CA-O 3.37Å
40C89.8Confident78.9Confident2 Ų273.9 Ų73.91%0.01444%0.44CS..PPolyproline II helixtrans-57.6135.8173.4-56.80000110.7T42 S43 G44 Y45 C59 S63C40-T42 PolarHBondContact O-N 3.44Å; C40-S43 WeakPolarHBondContact CB-OG 3.4Å; C40-G44 VanDerWaalsContact O-CA 3.31Å; C40-G44 WeakPolarHBondContact O-CA 2.94Å; C40-G44 PolarHBondContact O-N 2.81Å; C40-Y45 WeakPolarHBondContact CB-O 3.2Å; C40-Y45 PolarHBondContact N-O 2.76Å; C40-Y45 PolarHBondContact SG-O 2.84Å; C40-C59 VanDerWaalsContact CA-SG 3.55Å; C40-C59 HydrophobicContact CB-CB 3.75Å; C40-C59 WeakPolarHBondContact CB-SG 3.38Å; C40-C59 VanDerWaalsContact SG-CA 3.56Å; C40-C59 WeakPolarHBondContact SG-CB 3.49Å; C40-C59 CovalentContact SG-SG 2.03Å; C40-C59 PolarHBondContact SG-SG 3.4Å; C40-S63 VanDerWaalsContact CA-OG 3.28Å; C40-S63 WeakPolarHBondContact CA-OG 3.49Å
41L85.3Confident80Confident137 Ų13774.6 Ų74.672%0.71743%0.425SS*.THydrogen-bonded Turntrans-62.3-44-171.2-72.3165.7000112.8Q39 S63Q39-L41 PolarHBondContact O-N 3.03Å; L41-S63 VanDerWaalsContact CD1-CB 3.46Å; L41-S63 PolarHBondContact N-OG 3.32Å
42T82.1Confident80.9Confident115 Ų11569.1 Ų69.171%0.70639%0.394SS*.THydrogen-bonded Turntrans-93.4-45.3-173.4-54.20000112.8C40 D61C40-T42 PolarHBondContact O-N 3.44Å; T42-D61 WeakPolarHBondContact CB-OD2 3.01Å; T42-D61 PolarHBondContact N-OD2 2.04Å; T42-D61 PolarHBondContact OG1-OD2 3.41Å
43S81.8Confident81.2Confident59 Ų5965.1 Ų65.141%0.41337%0.366SS..THydrogen-bonded Turntrans-83.6-20.2-17563.60000112.9C40 Y45C40-S43 WeakPolarHBondContact CB-OG 3.4Å; S43-Y45 PolarHBondContact O-N 3.29Å; S43-Y45 WeakPolarHBondContact OG-CB 3.48Å; S43-Y45 PolarHBondContact OG-N 3.25Å
44G81.8Confident80.8Confident33 Ų3365.8 Ų65.834%0.3437%0.369SS..  trans66.37.8-171.600000113.6Q39 C40Q39-G44 PolarHBondContact NE2-O 3.04Å; C40-G44 VanDerWaalsContact O-CA 3.31Å; C40-G44 WeakPolarHBondContact O-CA 2.94Å; C40-G44 PolarHBondContact O-N 2.81Å
45Y86.3Confident80.2Confident142 Ų14263.1 Ų63.156%0.55736%0.357SS*.PPolyproline II helixtrans-68.4143.9177-178.7-109.4000110.4Q39 C40 S43 V47Q39-Y45 WeakPolarHBondContact CA-O 3.37Å; C40-Y45 WeakPolarHBondContact CB-O 3.2Å; C40-Y45 PolarHBondContact N-O 2.76Å; C40-Y45 PolarHBondContact SG-O 2.84Å; S43-Y45 PolarHBondContact O-N 3.29Å; S43-Y45 WeakPolarHBondContact OG-CB 3.48Å; S43-Y45 PolarHBondContact OG-N 3.25Å; Y45-V47 HydrophobicContact CD1-CG1 3.76Å; Y45-V47 HydrophobicContact CE1-CG1 3.73Å
46C87.8Confident80.3Confident46 Ų4662.2 Ų62.231%0.31135%0.347SS..EExtended strand (participates in β ladder)trans-99.2118.6179.5-50.60000109.5C33 F38C33-C46 HydrophobicContact CB-CB 3.82Å; C33-C46 WeakPolarHBondContact CB-SG 3.04Å; C33-C46 WeakPolarHBondContact SG-CB 3.07Å; C33-C46 CovalentContact SG-SG 2.03Å; C33-C46 PolarHBondContact SG-SG 2.83Å; F38-C46 CarbonylContact O-C 3.53Å; F38-C46 VanDerWaalsContact O-CA 3.27Å; F38-C46 WeakPolarHBondContact O-CA 3.07Å
47V84.1Confident80.7Confident0 Ų063.2 Ų63.20%035%0.348CS..EExtended strand (participates in β ladder)trans-100.2151.2168.7-63.30000109.5T37 F38 Y45 W51 D58 D64T37-V47 CarbonylContact C-O 3.52Å; T37-V47 WeakPolarHBondContact CA-O 3.5Å; T37-V47 WeakPolarHBondContact CB-O 3.27Å; F38-V47 HydrophobicContact CB-CG2 3.92Å; F38-V47 HydrophobicContact CD1-CG2 3.87Å; F38-V47 HydrophobicContact CG-CG2 4.41Å; F38-V47 PolarHBondContact N-O 2.98Å; F38-V47 PolarHBondContact O-N 3.26Å; Y45-V47 HydrophobicContact CD1-CG1 3.76Å; Y45-V47 HydrophobicContact CE1-CG1 3.73Å; V47-W51 HydrophobicContact CB-CB 4.43Å; V47-W51 HydrophobicContact CB-CE3 4.1Å; V47-W51 HydrophobicContact CG1-CE3 4.28Å; V47-D58 HydrophobicContact CG1-CB 3.97Å; V47-D64 HydrophobicContact CG2-CB 4.36Å
48P82.6Confident80.9Confident44 Ų4464.3 Ų64.329%0.28635%0.352SS..EExtended strand (participates in β ladder)trans-50.9142.2168.7-25.535.4000111.8S50 W51P48-S50 WeakPolarHBondContact CB-OG 3.42Å; P48-S50 PolarHBondContact O-N 3.19Å; P48-S50 VanDerWaalsContact O-N 3.15Å; P48-W51 HydrophobicContact CB-CD2 4.23Å; P48-W51 HydrophobicContact CB-CG 4.1Å; P48-W51 VanDerWaalsContact CD-CD2 3.49Å; P48-W51 HydrophobicContact CG-CD2 3.74Å; P48-W51 HydrophobicContact CG-CE3 4.08Å; P48-W51 HydrophobicContact CG-CG 4.15Å; P48-W51 HydrophobicContact CG-CH2 4.41Å; P48-W51 HydrophobicContact CG-CZ2 4.13Å; P48-W51 HydrophobicContact CG-CZ3 4.39Å; P48-W51 WeakPolarHBondContact O-CB 3.13Å; P48-W51 PolarHBondContact O-N 3.01Å
49L75.3Confident81.1Confident58 Ų5862.6 Ų62.630%0.30435%0.345SS..G310 helixtrans-58.6-26.9173.6-78.8171.3000112.3T35 D36 F38 W51 R52 P86T35-L49 WeakPolarHBondContact O-CD1 3.31Å; D36-L49 WeakPolarHBondContact O-CG 3.31Å; D36-L49 PolarHBondContact O-N 3.39Å; D36-L49 VanDerWaalsContact O-N 3.07Å; F38-L49 HydrophobicContact CB-CD2 4.09Å; L49-W51 PolarHBondContact O-N 2.85Å; L49-R52 PolarHBondContact O-N 3.45Å; L49-P86 HydrophobicContact CB-CG 4.41Å; L49-P86 HydrophobicContact CD2-CG 4.39Å; L49-P86 WeakPolarHBondContact O-CB 3.2Å; L49-P86 WeakPolarHBondContact O-CG 3.26Å
50S70.6Confident81Confident86 Ų8663.4 Ų63.460%0.60136%0.36SS*.G310 helixtrans-64.3-18174.754.70000114.3P48P48-S50 WeakPolarHBondContact CB-OG 3.42Å; P48-S50 PolarHBondContact O-N 3.19Å; P48-S50 VanDerWaalsContact O-N 3.15Å
51W80.1Confident80.7Confident100 Ų10065.7 Ų65.738%0.37937%0.372SS..G310 helixtrans-97.10.4179.1-61.9-7.6000112.8V47 P48 L49 D54 D58V47-W51 HydrophobicContact CB-CB 4.43Å; V47-W51 HydrophobicContact CB-CE3 4.1Å; V47-W51 HydrophobicContact CG1-CE3 4.28Å; P48-W51 HydrophobicContact CB-CD2 4.23Å; P48-W51 HydrophobicContact CB-CG 4.1Å; P48-W51 VanDerWaalsContact CD-CD2 3.49Å; P48-W51 HydrophobicContact CG-CD2 3.74Å; P48-W51 HydrophobicContact CG-CE3 4.08Å; P48-W51 HydrophobicContact CG-CG 4.15Å; P48-W51 HydrophobicContact CG-CH2 4.41Å; P48-W51 HydrophobicContact CG-CZ2 4.13Å; P48-W51 HydrophobicContact CG-CZ3 4.39Å; P48-W51 WeakPolarHBondContact O-CB 3.13Å; P48-W51 PolarHBondContact O-N 3.01Å; L49-W51 PolarHBondContact O-N 2.85Å; W51-D54 WeakPolarHBondContact CA-OD2 3.4Å; W51-D58 WeakPolarHBondContact CB-OD2 3.48Å; W51-D58 HydrophobicContact CE3-CB 3.84Å; W51-D58 VanDerWaalsContact CE3-CG 3.47Å; W51-D58 HydrophobicContact CZ3-CB 4.47Å
52R78.1Confident80.5Confident21 Ų2159.3 Ų59.38%0.07934%0.339CS..THydrogen-bonded Turntrans-85.1124.4174.1-177.4-178.3-171.6-85.4-8.8108F38 L49 D54 D64 E66 D67 L85 P86F38-R52 HydrophobicContact CB-CB 4.34Å; F38-R52 HydrophobicContact CD2-CG 4.48Å; F38-R52 HydrophobicContact CG-CB 4.46Å; F38-R52 HydrophobicContact CG-CG 4.32Å; L49-R52 PolarHBondContact O-N 3.45Å; R52-D54 VanDerWaalsContact C-N 3.31Å; R52-D64 WeakPolarHBondContact CG-O 3.41Å; R52-E66 PolarHBondContact NH2-O 2.02Å; R52-D67 PolarHBondContact NH2-O 3.1Å; R52-L85 VanDerWaalsContact NH1-CD2 3.33Å; R52-P86 HydrophobicContact CB-CG 3.67Å; R52-P86 HydrophobicContact CG-CG 4.14Å
53C76.7Confident80.7Confident11 Ų1154 Ų547%0.07431%0.307CS..THydrogen-bonded Turntrans65.230.6-177.7-54.60000112.7D64 E65 C68 S88C53-D64 PolarHBondContact N-O 3.5Å; C53-E65 WeakPolarHBondContact CA-OE1 3.44Å; C53-E65 WeakPolarHBondContact CA-OE2 3.2Å; C53-E65 PolarHBondContact N-OE1 3.21Å; C53-C68 VanDerWaalsContact CA-SG 3.54Å; C53-C68 HydrophobicContact CB-CB 3.75Å; C53-C68 WeakPolarHBondContact CB-SG 3.49Å; C53-C68 WeakPolarHBondContact SG-CA 3.49Å; C53-C68 WeakPolarHBondContact SG-CB 3.21Å; C53-C68 CovalentContact SG-SG 2.02Å; C53-C68 PolarHBondContact SG-SG 3.28Å; C53-S88 WeakPolarHBondContact O-CB 3.24Å; C53-S88 PolarHBondContact O-N 2.78Å
54D73.2Confident80.7Confident32 Ų3251.2 Ų51.217%0.17129%0.287CS..SBendtrans-89.5-3.7-176.580.9-9.3000114.6W51 R52 D56 E65W51-D54 WeakPolarHBondContact CA-OD2 3.4Å; R52-D54 VanDerWaalsContact C-N 3.31Å; D54-D56 PolarHBondContact OD1-N 3.19Å; D54-E65 PolarHBondContact N-OE1 3.31Å; D54-E65 PolarHBondContact N-OE2 2.94Å
55G66.1Low80.8Confident31 Ų3152.2 Ų52.232%0.3228%0.283SS..SBendtrans92.6-6.3-179.300000113.7E65G55-E65 WeakPolarHBondContact CA-OE2 3.43Å; G55-E65 PolarHBondContact N-OE2 3.39Å
56D75.5Confident80.3Confident109 Ų10951.2 Ų51.258%0.58328%0.284SS*.SBendtrans-105.1144.5172.8-76.9-40.8000110.7D54 D58 E65D54-D56 PolarHBondContact OD1-N 3.19Å; D56-D58 PolarHBondContact O-N 2.82Å; D56-E65 VanDerWaalsContact O-CD 3.27Å; D56-E65 WeakPolarHBondContact O-CG 3.29Å
57Q83.8Confident79.5Confident143 Ų14355.2 Ų55.267%0.66830%0.302SS*.  trans-88.790.9175.7175.1169.480.400109.4C59Q57-C59 WeakPolarHBondContact CG-O 3.37Å
58D86.6Confident78.8Confident61 Ų6157.1 Ų57.133%0.32632%0.315SS..  trans-89.4-31.2175.9-71.9-57.5000112.5V47 W51 D56 D64V47-D58 HydrophobicContact CG1-CB 3.97Å; W51-D58 WeakPolarHBondContact CB-OD2 3.48Å; W51-D58 HydrophobicContact CE3-CB 3.84Å; W51-D58 VanDerWaalsContact CE3-CG 3.47Å; W51-D58 HydrophobicContact CZ3-CB 4.47Å; D56-D58 PolarHBondContact O-N 2.82Å; D58-D64 VanDerWaalsContact CA-OD2 3.25Å; D58-D64 WeakPolarHBondContact CA-OD2 3.16Å; D58-D64 VanDerWaalsContact CB-OD2 3.22Å; D58-D64 WeakPolarHBondContact CB-OD2 3.49Å; D58-D64 PolarHBondContact N-OD2 3.11Å
59C88.1Confident77.5Confident1 Ų162.3 Ų62.31%0.00733%0.329CS..SBendtrans-75.9135.8167.3-68.60000110.6C40 Q57 D61 G62 D64C40-C59 VanDerWaalsContact CA-SG 3.55Å; C40-C59 HydrophobicContact CB-CB 3.75Å; C40-C59 WeakPolarHBondContact CB-SG 3.38Å; C40-C59 VanDerWaalsContact SG-CA 3.56Å; C40-C59 WeakPolarHBondContact SG-CB 3.49Å; C40-C59 CovalentContact SG-SG 2.03Å; C40-C59 PolarHBondContact SG-SG 3.4Å; Q57-C59 WeakPolarHBondContact CG-O 3.37Å; C59-D61 VanDerWaalsContact CB-OD1 3.3Å; C59-D61 WeakPolarHBondContact CB-OD1 3.46Å; C59-D61 PolarHBondContact O-N 3.19Å; C59-G62 PolarHBondContact O-N 2.99Å; C59-D64 HydrophobicContact CB-CB 4.25Å; C59-D64 WeakPolarHBondContact CB-OD1 2.92Å; C59-D64 VanDerWaalsContact N-CG 3.34Å; C59-D64 PolarHBondContact N-OD1 3.45Å; C59-D64 PolarHBondContact N-OD2 3.12Å
60S86.1Confident76.3Confident100 Ų10067.6 Ų67.670%0.69936%0.355SS*.THydrogen-bonded Turntrans-59.1-19.6177.358.30000114.4
61D84.1Confident75.1Confident51 Ų5170 Ų7027%0.27336%0.357SS..THydrogen-bonded Turntrans-106.82.6176.364.5-28.3000113.5T42 C59 S63T42-D61 WeakPolarHBondContact CB-OD2 3.01Å; T42-D61 PolarHBondContact N-OD2 2.04Å; T42-D61 PolarHBondContact OG1-OD2 3.41Å; C59-D61 VanDerWaalsContact CB-OD1 3.3Å; C59-D61 WeakPolarHBondContact CB-OD1 3.46Å; C59-D61 PolarHBondContact O-N 3.19Å; D61-S63 VanDerWaalsContact CG-OG 3.27Å; D61-S63 PolarHBondContact O-N 3.01Å; D61-S63 WeakPolarHBondContact OD1-CB 3.4Å; D61-S63 PolarHBondContact OD1-OG 2.04Å; D61-S63 WeakPolarHBondContact OD2-CB 2.85Å; D61-S63 PolarHBondContact OD2-OG 3.48Å
62G81Confident73.2Confident3 Ų370.6 Ų70.63%0.03138%0.377CS..SBendtrans6911.2-177.400000115.3C59 D64 E65 E66C59-G62 PolarHBondContact O-N 2.99Å; G62-D64 WeakPolarHBondContact CA-OD1 3.13Å; G62-D64 PolarHBondContact O-N 2.75Å; G62-E65 PolarHBondContact O-N 2.63Å; G62-E66 WeakPolarHBondContact O-CG 2.73Å
63S84.4Confident71.4Confident4 Ų471.8 Ų71.83%0.02839%0.387CS..THydrogen-bonded Turntrans-66.8-17.9-173.653.40000115.2F38 C40 L41 D61 E65F38-S63 WeakPolarHBondContact CE1-O 3.29Å; F38-S63 WeakPolarHBondContact CZ-O 3.24Å; C40-S63 VanDerWaalsContact CA-OG 3.28Å; C40-S63 WeakPolarHBondContact CA-OG 3.49Å; L41-S63 VanDerWaalsContact CD1-CB 3.46Å; L41-S63 PolarHBondContact N-OG 3.32Å; D61-S63 VanDerWaalsContact CG-OG 3.27Å; D61-S63 PolarHBondContact O-N 3.01Å; D61-S63 WeakPolarHBondContact OD1-CB 3.4Å; D61-S63 PolarHBondContact OD1-OG 2.04Å; D61-S63 WeakPolarHBondContact OD2-CB 2.85Å; D61-S63 PolarHBondContact OD2-OG 3.48Å; S63-E65 VanDerWaalsContact C-N 3.29Å
64D82.4Confident69.7Low0 Ų073.1 Ų73.10%040%0.399CS..THydrogen-bonded Turntrans-66.1-30168.549.8-25.5000112.9F38 V47 R52 C53 D58 C59 G62F38-D64 HydrophobicContact CD1-CB 4.22Å; F38-D64 HydrophobicContact CE1-CB 4.24Å; V47-D64 HydrophobicContact CG2-CB 4.36Å; R52-D64 WeakPolarHBondContact CG-O 3.41Å; C53-D64 PolarHBondContact N-O 3.5Å; D58-D64 VanDerWaalsContact CA-OD2 3.25Å; D58-D64 WeakPolarHBondContact CA-OD2 3.16Å; D58-D64 VanDerWaalsContact CB-OD2 3.22Å; D58-D64 WeakPolarHBondContact CB-OD2 3.49Å; D58-D64 PolarHBondContact N-OD2 3.11Å; C59-D64 HydrophobicContact CB-CB 4.25Å; C59-D64 WeakPolarHBondContact CB-OD1 2.92Å; C59-D64 VanDerWaalsContact N-CG 3.34Å; C59-D64 PolarHBondContact N-OD1 3.45Å; C59-D64 PolarHBondContact N-OD2 3.12Å; G62-D64 WeakPolarHBondContact CA-OD1 3.13Å; G62-D64 PolarHBondContact O-N 2.75Å
65E83.8Confident68.1Low53 Ų5378.7 Ų78.725%0.24842%0.424CS..SBendtrans-96.75.6-179.9-60.1-53.8105.800113.2C53 D54 G55 D56 G62 S63 C68C53-E65 WeakPolarHBondContact CA-OE1 3.44Å; C53-E65 WeakPolarHBondContact CA-OE2 3.2Å; C53-E65 PolarHBondContact N-OE1 3.21Å; D54-E65 PolarHBondContact N-OE1 3.31Å; D54-E65 PolarHBondContact N-OE2 2.94Å; G55-E65 WeakPolarHBondContact CA-OE2 3.43Å; G55-E65 PolarHBondContact N-OE2 3.39Å; D56-E65 VanDerWaalsContact O-CD 3.27Å; D56-E65 WeakPolarHBondContact O-CG 3.29Å; G62-E65 PolarHBondContact O-N 2.63Å; S63-E65 VanDerWaalsContact C-N 3.29Å; E65-C68 VanDerWaalsContact C-SG 3.59Å; E65-C68 PolarHBondContact O-SG 3.48Å
66E76.9Confident66.8Low122 Ų12283.7 Ų83.757%0.5744%0.444SS*.SBendtrans-101.1148-179.4-63.6-70.2156.600111.9R52 G62 C68R52-E66 PolarHBondContact NH2-O 2.02Å; G62-E66 WeakPolarHBondContact O-CG 2.73Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 3.3Å
67D70Confident65.4Low130 Ų13080.6 Ų80.670%0.69544%0.437SS*.SBendtrans53.746.9-177.9-164.333.6000112.9R52R52-D67 PolarHBondContact NH2-O 3.1Å
68C70.4Confident63.3Low39 Ų3980.5 Ų80.526%0.26444%0.437SS..  trans-83.2126171.3-59.90000109.5C53 E65 E66 I70C53-C68 VanDerWaalsContact CA-SG 3.54Å; C53-C68 HydrophobicContact CB-CB 3.75Å; C53-C68 WeakPolarHBondContact CB-SG 3.49Å; C53-C68 WeakPolarHBondContact SG-CA 3.49Å; C53-C68 WeakPolarHBondContact SG-CB 3.21Å; C53-C68 CovalentContact SG-SG 2.02Å; C53-C68 PolarHBondContact SG-SG 3.28Å; E65-C68 VanDerWaalsContact C-SG 3.59Å; E65-C68 PolarHBondContact O-SG 3.48Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 3.3Å; C68-I70 PolarHBondContact O-N 3.24Å; C68-I70 VanDerWaalsContact O-N 3.08Å
69R54.7Low61.1Low154 Ų15479.5 Ų79.558%0.58143%0.434SS*.  trans-71.7105.3169.5-80.1-174.8164.676.65.2107.9E71R69-E71 PolarHBondContact O-N 2.86Å
70I50Low58.9Low169 Ų16986.2 Ų86.287%0.86747%0.466SS*.  trans-75.868.2165.6-47.6177.3000107.3C68C68-I70 PolarHBondContact O-N 3.24Å; C68-I70 VanDerWaalsContact O-N 3.08Å
71E45.5Very low56.7Low137 Ų13787.7 Ų87.764%0.6447%0.473SS*.  trans-78.8138.4162.4-76.1-166.8-17800108.4R69 C73R69-E71 PolarHBondContact O-N 2.86Å; E71-C73 PolarHBondContact O-N 2.84Å
72S40.7Very low54.8Low112 Ų11292.8 Ų92.878%0.78350%0.495SS*.  trans-54.7113.6178-41.90000108.8A74S72-A74 PolarHBondContact O-N 3.47Å
73C39.9Very low53Low45 Ų4597.1 Ų97.130%0.30452%0.524SS..  trans-49.6126.3177.5-600000108.7E71 C89E71-C73 PolarHBondContact O-N 2.84Å; C73-C89 HydrophobicContact CB-CB 4.33Å; C73-C89 WeakPolarHBondContact CB-SG 3.47Å; C73-C89 WeakPolarHBondContact SG-CB 3.45Å; C73-C89 CovalentContact SG-SG 2.06Å; C73-C89 PolarHBondContact SG-SG 3.31Å
74A40.3Very low51.3Low40 Ų40101.9 Ų101.933%0.33156%0.564SS.*BIsolated β-bridgetrans-63.1154.5173.500000108.4S72 N76 G77 Q78S72-A74 PolarHBondContact O-N 3.47Å; A74-N76 PolarHBondContact O-N 3.28Å; A74-G77 PolarHBondContact O-N 2.61Å; A74-Q78 WeakPolarHBondContact CB-O 3.42Å; A74-Q78 PolarHBondContact N-O 3.31Å
75Q40.5Very low49.5Very low148 Ų148105.1 Ų105.169%0.69258%0.581SS**THydrogen-bonded Turntrans-47.11.7-160.4-74.4175.4-9.800119.7S106Q75-S106 PolarHBondContact O-OG 3.1Å
76N38.7Very low47.5Very low137 Ų137104.4 Ų104.473%0.73358%0.581SS**THydrogen-bonded Turntrans-129.123-177.4-73-9.9000114.2A74 Q78A74-N76 PolarHBondContact O-N 3.28Å; N76-Q78 PolarHBondContact O-N 2.94Å
77G46.5Very low46Very low43 Ų43101.5 Ų101.544%0.44357%0.573SS.*THydrogen-bonded Turntrans64.424.5-175.700000113.2A74A74-G77 PolarHBondContact O-N 2.61Å
78Q37.8Very low44.8Very low141 Ų14197.2 Ų97.266%0.65955%0.554SS**BIsolated β-bridgetrans-124.1128.8175.9-67.7-177.9-16.800108.4A74 N76A74-Q78 WeakPolarHBondContact CB-O 3.42Å; A74-Q78 PolarHBondContact N-O 3.31Å; N76-Q78 PolarHBondContact O-N 2.94Å
79C41.6Very low43.8Very low40 Ų4096.9 Ų96.927%0.2755%0.551SS.*  trans-77.4146170.3-45.10000110C87C79-C87 HydrophobicContact CB-CB 3.91Å; C79-C87 WeakPolarHBondContact CB-SG 3.25Å; C79-C87 WeakPolarHBondContact SG-CB 3.45Å; C79-C87 CovalentContact SG-SG 2Å; C79-C87 PolarHBondContact SG-SG 2.85Å
80Q41.3Very low43.3Very low143 Ų14396 Ų9667%0.66856%0.558SS**  trans-62.6134.9169.8-84.5176.2-94.600109.4Q82Q80-Q82 PolarHBondContact O-N 3.2Å
81P41Very low43.1Very low131 Ų13192.9 Ų92.985%0.85154%0.543SS*.  trans-79.577.6-178.133.1-33.4000108.5
82Q44Very low43.2Very low158 Ų15890.5 Ų90.574%0.73853%0.534SS*.  trans-123114.5166.8-61.7-157.7-26.200108.3Q80Q80-Q82 PolarHBondContact O-N 3.2Å
83S42.8Very low43.1Very low93 Ų9390.1 Ų90.165%0.6553%0.532SS*.SBendtrans70.598.1172.830.60000117.6L85S83-L85 PolarHBondContact O-N 2.95Å
84A47.6Very low43.2Very low104 Ų10491 Ų9186%0.8655%0.548SS*.SBendtrans44.73.213900000121.4
85L45Very low43.2Very low69 Ų6992.9 Ų92.936%0.36156%0.558SS.*  trans-122.5125.4177.1-86.277.8000108.8R52 S83R52-L85 VanDerWaalsContact NH1-CD2 3.33Å; S83-L85 PolarHBondContact O-N 2.95Å
86P42.7Very low43Very low37 Ų3790 Ų9024%0.2455%0.554CS.*  trans-66.8146.7170.630-33.8000109.5L49 R52L49-P86 HydrophobicContact CB-CG 4.41Å; L49-P86 HydrophobicContact CD2-CG 4.39Å; L49-P86 WeakPolarHBondContact O-CB 3.2Å; L49-P86 WeakPolarHBondContact O-CG 3.26Å; R52-P86 HydrophobicContact CB-CG 3.67Å; R52-P86 HydrophobicContact CG-CG 4.14Å
87C45.6Very low43Very low61 Ų6189.9 Ų89.941%0.41255%0.553SS.*  trans-123147.4178.770.80000109.4C79C79-C87 HydrophobicContact CB-CB 3.91Å; C79-C87 WeakPolarHBondContact CB-SG 3.25Å; C79-C87 WeakPolarHBondContact SG-CB 3.45Å; C79-C87 CovalentContact SG-SG 2Å; C79-C87 PolarHBondContact SG-SG 2.85Å
88S43.8Very low43.1Very low40 Ų4094.4 Ų94.428%0.2857%0.572SS.*  trans-123.9148163.9-169.60000111.1C53 D90C53-S88 WeakPolarHBondContact O-CB 3.24Å; C53-S88 PolarHBondContact O-N 2.78Å; S88-D90 WeakPolarHBondContact OG-CB 3.49Å; S88-D90 PolarHBondContact OG-N 3.16Å; S88-D90 PolarHBondContact OG-OD2 2.99Å
89C49.2Very low43.4Very low32 Ų3292.3 Ų92.322%0.21657%0.573CS.*  trans-109.912.2175.2-55.70000111C73C73-C89 HydrophobicContact CB-CB 4.33Å; C73-C89 WeakPolarHBondContact CB-SG 3.47Å; C73-C89 WeakPolarHBondContact SG-CB 3.45Å; C73-C89 CovalentContact SG-SG 2.06Å; C73-C89 PolarHBondContact SG-SG 3.31Å
90D44.8Very low43.3Very low136 Ų13697.3 Ų97.373%0.72760%0.597SS**SBendtrans-85.3-6.9-167.5-68.5-34.8000114.9S88S88-D90 WeakPolarHBondContact OG-CB 3.49Å; S88-D90 PolarHBondContact OG-N 3.16Å; S88-D90 PolarHBondContact OG-OD2 2.99Å
91N44.9Very low43.5Very low103 Ų103100.6 Ų100.655%0.55161%0.609SS**  trans-134.462-179.8-143-39.3000113.9S93N91-S93 PolarHBondContact O-N 3.12Å; N91-S93 PolarHBondContact OD1-OG 3.47Å
92I47.9Very low43.6Very low88 Ų88101.4 Ų101.445%0.45161%0.607SS.*  trans-77.356.4168.7-21.5172.9000110.2G94 C95 C105I92-G94 PolarHBondContact O-N 3.18Å; I92-C95 WeakPolarHBondContact CG2-SG 3.02Å; I92-C105 HydrophobicContact CD1-CB 3.73Å
93S40Very low43.5Very low104 Ų104100.1 Ų100.173%0.72760%0.604SS**THydrogen-bonded Turntrans-74.38.216347.30000112.4N91N91-S93 PolarHBondContact O-N 3.12Å; N91-S93 PolarHBondContact OD1-OG 3.47Å
94G40.7Very low43.4Very low63 Ų63100.4 Ų100.465%0.64960%0.598SS**THydrogen-bonded Turntrans-108.110.4-179.900000116.1I92 S96I92-G94 PolarHBondContact O-N 3.18Å; G94-S96 PolarHBondContact O-N 3.29Å
95C41.3Very low42.9Very low80 Ų8098.2 Ų98.254%0.54158%0.576SS.*  trans-80.354.5165.7-730000110.4I92I92-C95 WeakPolarHBondContact CG2-SG 3.02Å
96S36.1Very low43Very low87 Ų8797.7 Ų97.761%0.60858%0.578SS**  trans-78.3122.5167.3-147.30000107.4G94G94-S96 PolarHBondContact O-N 3.29Å
97D37.7Very low43.4Very low134 Ų134100.5 Ų100.572%0.71758%0.584SS**SBendtrans74.499.7155.9-44.9-52.4000117S99D97-S99 PolarHBondContact O-N 3.41Å
98V49.7Very low43.8Very low138 Ų138101.7 Ų101.784%0.83659%0.591SS**  trans10.8111136.6-177.50000114.6
99S44.3Very low44.6Very low97 Ų97105.8 Ų105.868%0.67862%0.616SS**  trans171.67130.7-77.90000116.8D97D97-S99 PolarHBondContact O-N 3.41Å
100D40Very low45.6Very low145 Ų145105.6 Ų105.678%0.77562%0.615SS**  trans-128.4117176.4-78.1-52.5000113.5N102D100-N102 PolarHBondContact O-N 3.48Å
101K43.8Very low47.2Very low213 Ų213105.9 Ų105.993%0.92661%0.612SS**THydrogen-bonded Turntrans-76.239.1-172.1-38.3-170.2-171.2-169.90112.8
102N44.1Very low48.1Very low148 Ų148110.7 Ų110.779%0.79163%0.632SS**THydrogen-bonded Turntrans-155.637.7178.1-162.135.3000113.3D100D100-N102 PolarHBondContact O-N 3.48Å
103L40.7Very low49.1Very low131 Ų131110.1 Ų110.169%0.68664%0.635SS**  trans-11393.8169.6-116.675.3000108.6C105L103-C105 PolarHBondContact O-N 3.25Å
104N40.7Very low51.1Low98 Ų98108.8 Ų108.852%0.52462%0.617SS.*  trans-89.983.6177.6-166.315.2000109.3
105C38.3Very low52.8Low59 Ų59107.3 Ų107.340%0.39960%0.595SS.*  trans-84.4109.2164.3-68.40000107.2I92 L103 R107I92-C105 HydrophobicContact CD1-CB 3.73Å; L103-C105 PolarHBondContact O-N 3.25Å; C105-R107 PolarHBondContact O-N 3.48Å
106S46.7Very low54.6Low58 Ų58105.9 Ų105.941%0.40658%0.58SS.*  trans-66.290.3-161.1-59.40000114.4Q75Q75-S106 PolarHBondContact O-OG 3.1Å
107R50.3Low57Low95 Ų95101.8 Ų101.836%0.35855%0.551SS.*PPolyproline II helixtrans-74.5135141.2-76.9174.8140.6168.77.2108.1C105 H116 C117 M118 L119 D121C105-R107 PolarHBondContact O-N 3.48Å; R107-H116 WeakPolarHBondContact CD-NE2 3.39Å; R107-H116 PolarHBondContact NE-NE2 2.99Å; R107-H116 VanDerWaalsContact NE-NE2 3.19Å; R107-C117 PolarHBondContact NH1-O 3.25Å; R107-M118 PolarHBondContact NH1-O 3.24Å; R107-L119 VanDerWaalsContact NH2-C 3.29Å; R107-L119 PolarHBondContact NH2-O 3.46Å; R107-D121 IonicContact CZ-OD1 3.56Å; R107-D121 IonicContact NE-OD1 2.84Å; R107-D121 PolarHBondContact NE-OD1 3.18Å; R107-D121 IonicContact NH2-OD1 3.47Å; R107-D121 PolarHBondContact NH2-OD1 2.65Å
108P55.6Low58.8Low86 Ų86100.9 Ų100.956%0.55854%0.544SS*.PPolyproline II helixtrans-54.6127.6178.120.5-29.7000108.9C110P108-C110 PolarHBondContact O-N 3.05Å
109P58.9Low59.8Low126 Ų126100.7 Ų100.782%0.81854%0.537SS*.PPolyproline II helixtrans-64.2126.7-177.925.3-32.5000109
110C71.3Confident61.1Low29 Ų2998.4 Ų98.420%0.19652%0.518CS..PPolyproline II helixtrans-63.2160.2171.3-54.20000110.3P108 E114 H116 C123P108-C110 PolarHBondContact O-N 3.05Å; C110-E114 HydrophobicContact CB-CB 3.56Å; C110-H116 PolarHBondContact SG-ND1 2Å; C110-C123 VanDerWaalsContact CA-SG 3.59Å; C110-C123 HydrophobicContact CB-CB 3.77Å; C110-C123 WeakPolarHBondContact CB-SG 2.93Å; C110-C123 WeakPolarHBondContact SG-CB 3.18Å; C110-C123 CovalentContact SG-SG 2.04Å; C110-C123 PolarHBondContact SG-SG 3.24Å
111Q77.7Confident62.6Low141 Ų14196.8 Ų96.866%0.65951%0.509SS*.PPolyproline II helixtrans-62.1161.6178.1-158.4179.6-4300110.7S113 E114Q111-S113 PolarHBondContact O-N 2.84Å; Q111-E114 HydrophobicContact CB-CG 4.34Å; Q111-E114 WeakPolarHBondContact CB-OE2 3.46Å; Q111-E114 PolarHBondContact N-OE2 2.95Å; Q111-E114 PolarHBondContact O-N 2.06Å
112E63.7Low64.5Low205 Ų20590.1 Ų90.196%0.95849%0.486SS*.THydrogen-bonded Turntrans-57.44.7-172.2-160.4172.3-174.600116.4
113S70.4Confident66.5Low75 Ų7585.4 Ų85.452%0.52446%0.464SS..THydrogen-bonded Turntrans-138.816178.1590000113.5Q111 H126Q111-S113 PolarHBondContact O-N 2.84Å; S113-H126 PolarHBondContact O-N 3.02Å
114E81.1Confident68.6Low76 Ų7679.3 Ų79.336%0.35543%0.432SS..EExtended strand (participates in β ladder)trans-120.4144.9-176.4-68.7174.1165.700110C110 Q111 C123 I124C110-E114 HydrophobicContact CB-CB 3.56Å; Q111-E114 HydrophobicContact CB-CG 4.34Å; Q111-E114 WeakPolarHBondContact CB-OE2 3.46Å; Q111-E114 PolarHBondContact N-OE2 2.95Å; Q111-E114 PolarHBondContact O-N 2.06Å; E114-C123 HydrophobicContact CB-CB 4.29Å; E114-I124 CarbonylContact C-O 3.46Å; E114-I124 WeakPolarHBondContact CA-O 3.41Å
115L76.7Confident70.8Confident33 Ų3376.8 Ų76.817%0.17342%0.421CS..EExtended strand (participates in β ladder)trans-113.2151.5176.568.7116.8000110.2C123 I124 P125 H126 R129L115-C123 CarbonylContact O-C 3.37Å; L115-C123 VanDerWaalsContact O-CA 3.29Å; L115-C123 WeakPolarHBondContact O-CA 3.11Å; L115-I124 HydrophobicContact CD1-CD1 3.82Å; L115-I124 HydrophobicContact CD1-CG1 3.6Å; L115-I124 HydrophobicContact CD2-CD1 4.26Å; L115-I124 HydrophobicContact CD2-CG1 3.75Å; L115-I124 HydrophobicContact CG-CD1 4.14Å; L115-I124 HydrophobicContact CG-CG1 3.44Å; L115-I124 VanDerWaalsContact CG-CG1 3.44Å; L115-I124 PolarHBondContact N-O 3.48Å; L115-I124 PolarHBondContact O-N 3.08Å; L115-P125 VanDerWaalsContact CD2-O 3.31Å; L115-P125 WeakPolarHBondContact CD2-O 3.4Å; L115-H126 VanDerWaalsContact CD2-CA 3.5Å; L115-R129 HydrophobicContact CD2-CB 3.8Å
116H79.8Confident72.9Confident49 Ų4980.2 Ų80.223%0.22743%0.431CS..EExtended strand (participates in β ladder)trans-98136.3-178.4-152.783.7000110.3R107 C110 D120 D121R107-H116 WeakPolarHBondContact CD-NE2 3.39Å; R107-H116 PolarHBondContact NE-NE2 2.99Å; R107-H116 VanDerWaalsContact NE-NE2 3.19Å; C110-H116 PolarHBondContact SG-ND1 2Å; H116-D120 PolarHBondContact NE2-O 3.34Å; H116-D121 WeakPolarHBondContact NE2-CA 3.2Å; H116-D121 IonicContact NE2-OD1 3.63Å
117C84.9Confident74.6Confident1 Ų182.6 Ų82.61%0.00744%0.443CS..  trans-64.2155172.3-61.40000111R107 D120 V122 C136R107-C117 PolarHBondContact NH1-O 3.25Å; C117-D120 HydrophobicContact CB-CB 4.48Å; C117-V122 PolarHBondContact N-O 2.92Å; C117-C136 HydrophobicContact CB-CB 3.79Å; C117-C136 WeakPolarHBondContact CB-SG 3.18Å; C117-C136 WeakPolarHBondContact SG-CB 3.33Å; C117-C136 CovalentContact SG-SG 2.04Å; C117-C136 PolarHBondContact SG-SG 3.19Å
118M76.9Confident76.5Confident116 Ų11683.2 Ų83.257%0.57145%0.446SS*.SBendtrans-73.3-43.1-174.8-70.3-179.9-15700112.7R107 D138 S140R107-M118 PolarHBondContact NH1-O 3.24Å; M118-D138 WeakPolarHBondContact CB-OD2 3.22Å; M118-D138 PolarHBondContact N-OD2 3.02Å; M118-S140 VanDerWaalsContact CG-CB 3.48Å; M118-S140 PolarHBondContact N-OG 2.91Å
119L70.9Confident78Confident133 Ų13384.9 Ų84.970%0.69644%0.441SS*.SBendtrans-98.7-24.3-177.5-68.8179000114.6R107 D138R107-L119 VanDerWaalsContact NH2-C 3.29Å; R107-L119 PolarHBondContact NH2-O 3.46Å; L119-D138 HydrophobicContact CB-CB 4Å; L119-D138 WeakPolarHBondContact CB-OD2 3.25Å; L119-D138 HydrophobicContact CD1-CB 3.77Å; L119-D138 HydrophobicContact CG-CB 4.11Å; L119-D138 WeakPolarHBondContact CG-OD2 3.16Å; L119-D138 PolarHBondContact N-OD2 3.19Å
120D70.8Confident79.4Confident50 Ų5081.1 Ų81.127%0.26742%0.417SS..SBendtrans-113.5156.6-176.1-62.8-78.6000112.5H116 C117 V122 L137H116-D120 PolarHBondContact NE2-O 3.34Å; C117-D120 HydrophobicContact CB-CB 4.48Å; D120-V122 HydrophobicContact CB-CG2 4.12Å; D120-V122 PolarHBondContact O-N 2.91Å; D120-L137 WeakPolarHBondContact OD2-CB 3.15Å
121D71.9Confident80.2Confident111 Ų11183.5 Ų83.559%0.59443%0.428SS*.SBendtrans-80.932.3177.7-59.1-39.5000113.4R107 H116R107-D121 IonicContact CZ-OD1 3.56Å; R107-D121 IonicContact NE-OD1 2.84Å; R107-D121 PolarHBondContact NE-OD1 3.18Å; R107-D121 IonicContact NH2-OD1 3.47Å; R107-D121 PolarHBondContact NH2-OD1 2.65Å; H116-D121 WeakPolarHBondContact NE2-CA 3.2Å; H116-D121 IonicContact NE2-OD1 3.63Å
122V82.6Confident80.6Confident72 Ų7279.9 Ų79.944%0.43643%0.428SS..  trans-95.3128.9-176.7177.30000109.8C117 D120 I124C117-V122 PolarHBondContact N-O 2.92Å; D120-V122 HydrophobicContact CB-CG2 4.12Å; D120-V122 PolarHBondContact O-N 2.91Å; V122-I124 HydrophobicContact CG1-CG2 4.01Å
123C86.4Confident81.9Confident49 Ų4975.1 Ų75.133%0.33141%0.406SS..EExtended strand (participates in β ladder)trans-97.4127.2171.7-64.20000109.6C110 E114 L115C110-C123 VanDerWaalsContact CA-SG 3.59Å; C110-C123 HydrophobicContact CB-CB 3.77Å; C110-C123 WeakPolarHBondContact CB-SG 2.93Å; C110-C123 WeakPolarHBondContact SG-CB 3.18Å; C110-C123 CovalentContact SG-SG 2.04Å; C110-C123 PolarHBondContact SG-SG 3.24Å; E114-C123 HydrophobicContact CB-CB 4.29Å; L115-C123 CarbonylContact O-C 3.37Å; L115-C123 VanDerWaalsContact O-CA 3.29Å; L115-C123 WeakPolarHBondContact O-CA 3.11Å
124I85.6Confident82.8Confident4 Ų474.9 Ų74.92%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-118.2153.5174.870.3172.6000110.5E114 L115 V122 W128 D135 D141E114-I124 CarbonylContact C-O 3.46Å; E114-I124 WeakPolarHBondContact CA-O 3.41Å; L115-I124 HydrophobicContact CD1-CD1 3.82Å; L115-I124 HydrophobicContact CD1-CG1 3.6Å; L115-I124 HydrophobicContact CD2-CD1 4.26Å; L115-I124 HydrophobicContact CD2-CG1 3.75Å; L115-I124 HydrophobicContact CG-CD1 4.14Å; L115-I124 HydrophobicContact CG-CG1 3.44Å; L115-I124 VanDerWaalsContact CG-CG1 3.44Å; L115-I124 PolarHBondContact N-O 3.48Å; L115-I124 PolarHBondContact O-N 3.08Å; V122-I124 HydrophobicContact CG1-CG2 4.01Å; I124-W128 HydrophobicContact CB-CE3 3.94Å; I124-W128 HydrophobicContact CD1-CB 3.93Å; I124-W128 HydrophobicContact CG1-CB 4.41Å; I124-W128 HydrophobicContact CG2-CE3 4.23Å; I124-D135 HydrophobicContact CD1-CB 4.07Å; I124-D135 HydrophobicContact CG2-CB 4.39Å; I124-D141 HydrophobicContact CD1-CB 3.52Å
125P87.4Confident83.3Confident44 Ų4473.4 Ų73.429%0.28640%0.397SS..EExtended strand (participates in β ladder)trans-58.7145.1174.5-2434.3000112.7L115 T127 W128L115-P125 VanDerWaalsContact CD2-O 3.31Å; L115-P125 WeakPolarHBondContact CD2-O 3.4Å; P125-T127 PolarHBondContact O-N 3.44Å; P125-W128 HydrophobicContact CB-CD2 4.49Å; P125-W128 HydrophobicContact CB-CG 4.33Å; P125-W128 HydrophobicContact CG-CD2 3.99Å; P125-W128 HydrophobicContact CG-CE3 4.39Å; P125-W128 HydrophobicContact CG-CG 4.34Å; P125-W128 HydrophobicContact CG-CZ2 4.32Å; P125-W128 WeakPolarHBondContact O-CB 3.32Å; P125-W128 PolarHBondContact O-N 3.41Å
126H81.6Confident83.8Confident132 Ų13272 Ų7261%0.61139%0.39SS*.G310 helixtrans-53.5-25.1173.7-168.5-66.2000113.7S113 L115 W128 R129S113-H126 PolarHBondContact O-N 3.02Å; L115-H126 VanDerWaalsContact CD2-CA 3.5Å; H126-W128 PolarHBondContact O-N 3.01Å; H126-R129 PolarHBondContact O-N 3.47Å
127T81.3Confident84.2Confident108 Ų10876.8 Ų76.866%0.66342%0.416SS*.G310 helixtrans-71.4-14.9177.251.10000114.5P125P125-T127 PolarHBondContact O-N 3.44Å
128W90.1Very high84.2Confident108 Ų10878.5 Ų78.541%0.40943%0.426SS..G310 helixtrans-97.85-179.7-62.9-2.8000112.3I124 P125 H126 D135I124-W128 HydrophobicContact CB-CE3 3.94Å; I124-W128 HydrophobicContact CD1-CB 3.93Å; I124-W128 HydrophobicContact CG1-CB 4.41Å; I124-W128 HydrophobicContact CG2-CE3 4.23Å; P125-W128 HydrophobicContact CB-CD2 4.49Å; P125-W128 HydrophobicContact CB-CG 4.33Å; P125-W128 HydrophobicContact CG-CD2 3.99Å; P125-W128 HydrophobicContact CG-CE3 4.39Å; P125-W128 HydrophobicContact CG-CG 4.34Å; P125-W128 HydrophobicContact CG-CZ2 4.32Å; P125-W128 WeakPolarHBondContact O-CB 3.32Å; P125-W128 PolarHBondContact O-N 3.41Å; H126-W128 PolarHBondContact O-N 3.01Å; W128-D135 HydrophobicContact CB-CB 4.46Å; W128-D135 WeakPolarHBondContact CB-OD2 3.37Å; W128-D135 HydrophobicContact CE3-CB 3.8Å; W128-D135 HydrophobicContact CZ3-CB 4.46Å
129R87.1Confident84.6Confident120 Ų12075.3 Ų75.345%0.45342%0.415SS..THydrogen-bonded Turntrans-83.2122.7169.9-170.7173.3-176.1-79.3-9.5108.7L115 H126 D131L115-R129 HydrophobicContact CD2-CB 3.8Å; H126-R129 PolarHBondContact O-N 3.47Å; R129-D131 VanDerWaalsContact C-N 3.29Å; R129-D131 PolarHBondContact O-N 2.99Å
130C88.9Confident85.3Confident47 Ų4769.3 Ų69.332%0.31838%0.384SS..THydrogen-bonded Turntrans58.538.5178-54.60000113.3D141 E142 C145C130-D141 PolarHBondContact N-O 3.05Å; C130-E142 VanDerWaalsContact CA-OE1 3.24Å; C130-E142 WeakPolarHBondContact CA-OE1 3.43Å; C130-E142 PolarHBondContact N-OE1 3.16Å; C130-C145 WeakPolarHBondContact CA-SG 3.46Å; C130-C145 HydrophobicContact CB-CB 3.71Å; C130-C145 WeakPolarHBondContact CB-SG 3.31Å; C130-C145 VanDerWaalsContact SG-CA 3.53Å; C130-C145 WeakPolarHBondContact SG-CB 2.98Å; C130-C145 CovalentContact SG-SG 2.02Å; C130-C145 PolarHBondContact SG-SG 2.94Å
131D88.9Confident86.1Confident79 Ų7967 Ų6742%0.42237%0.371SS..SBendtrans-93.1-3.4177.885.8-11.6000112.5R129 H133 E142R129-D131 VanDerWaalsContact C-N 3.29Å; R129-D131 PolarHBondContact O-N 2.99Å; D131-H133 WeakPolarHBondContact OD1-CA 3.46Å; D131-H133 VanDerWaalsContact OD1-CB 3.27Å; D131-H133 WeakPolarHBondContact OD1-CB 3.34Å; D131-H133 PolarHBondContact OD1-N 3.17Å; D131-E142 PolarHBondContact N-OE1 3.44Å
132G85.1Confident87.1Confident65 Ų6564.1 Ų64.167%0.6736%0.355SS*.SBendtrans88.48.8179.600000113.5E142G132-E142 WeakPolarHBondContact CA-OE2 3.43Å; G132-E142 PolarHBondContact N-OE1 3.37Å; G132-E142 PolarHBondContact N-OE2 2.94Å
133H90.9Very high87.2Confident105 Ų10565.2 Ų65.249%0.48636%0.358SS..SBendtrans-117.6133.7173.3-170.564.9000110.6D131 D135 D141 E142D131-H133 WeakPolarHBondContact OD1-CA 3.46Å; D131-H133 VanDerWaalsContact OD1-CB 3.27Å; D131-H133 WeakPolarHBondContact OD1-CB 3.34Å; D131-H133 PolarHBondContact OD1-N 3.17Å; H133-D135 IonicContact CD2-OD1 3.62Å; H133-D135 PolarHBondContact CD2-OD1 3.15Å; H133-D135 VanDerWaalsContact CD2-OD1 3.32Å; H133-D135 IonicContact CD2-OD2 3.32Å; H133-D135 PolarHBondContact O-N 3.07Å; H133-D135 VanDerWaalsContact O-N 3.12Å; H133-D141 VanDerWaalsContact O-OD2 3.06Å; H133-E142 VanDerWaalsContact O-CG 3.31Å; H133-E142 WeakPolarHBondContact O-CG 3.22Å
134P90.7Very high86.8Confident71 Ų7167.4 Ų67.446%0.46137%0.373SS..  trans-78.795.2173.330.8-33.1000110.4S139P134-S139 WeakPolarHBondContact CB-OG 3.35Å
135D89.9Confident86.5Confident44 Ų4468.8 Ų68.824%0.23538%0.383CS..  trans-85.9-27.8175.7-75.1-68.3000112.6I124 W128 H133 D141I124-D135 HydrophobicContact CD1-CB 4.07Å; I124-D135 HydrophobicContact CG2-CB 4.39Å; W128-D135 HydrophobicContact CB-CB 4.46Å; W128-D135 WeakPolarHBondContact CB-OD2 3.37Å; W128-D135 HydrophobicContact CE3-CB 3.8Å; W128-D135 HydrophobicContact CZ3-CB 4.46Å; H133-D135 IonicContact CD2-OD1 3.62Å; H133-D135 PolarHBondContact CD2-OD1 3.15Å; H133-D135 VanDerWaalsContact CD2-OD1 3.32Å; H133-D135 IonicContact CD2-OD2 3.32Å; H133-D135 PolarHBondContact O-N 3.07Å; H133-D135 VanDerWaalsContact O-N 3.12Å; D135-D141 WeakPolarHBondContact CA-OD2 3.22Å; D135-D141 WeakPolarHBondContact CB-OD2 3.37Å; D135-D141 PolarHBondContact N-OD2 2.02Å
136C88.9Confident86Confident5 Ų573.8 Ų73.83%0.03441%0.407CS..SBendtrans-84.8147.2169.9-64.50000111.6C117 D138 S139 D141C117-C136 HydrophobicContact CB-CB 3.79Å; C117-C136 WeakPolarHBondContact CB-SG 3.18Å; C117-C136 WeakPolarHBondContact SG-CB 3.33Å; C117-C136 CovalentContact SG-SG 2.04Å; C117-C136 PolarHBondContact SG-SG 3.19Å; C136-D138 WeakPolarHBondContact CB-OD1 3.29Å; C136-D138 PolarHBondContact O-N 3.23Å; C136-S139 WeakPolarHBondContact O-CA 3.4Å; C136-S139 PolarHBondContact O-N 2.83Å; C136-D141 HydrophobicContact CB-CB 4.46Å; C136-D141 WeakPolarHBondContact CB-OD1 3.33Å; C136-D141 PolarHBondContact N-OD1 3.03Å; C136-D141 VanDerWaalsContact N-OD1 3.11Å; C136-D141 PolarHBondContact N-OD2 3.44Å
137L86.8Confident85.2Confident148 Ų14872.8 Ų72.878%0.77541%0.411SS*.THydrogen-bonded Turntrans-62.1-31.1176.4178.166.4000112.3D120D120-L137 WeakPolarHBondContact OD2-CB 3.15Å
138D85.1Confident83.9Confident38 Ų3873 Ų7320%0.20341%0.408CS..THydrogen-bonded Turntrans-91.12173.968.6-14.1000114M118 L119 C136 S140M118-D138 WeakPolarHBondContact CB-OD2 3.22Å; M118-D138 PolarHBondContact N-OD2 3.02Å; L119-D138 HydrophobicContact CB-CB 4Å; L119-D138 WeakPolarHBondContact CB-OD2 3.25Å; L119-D138 HydrophobicContact CD1-CB 3.77Å; L119-D138 HydrophobicContact CG-CB 4.11Å; L119-D138 WeakPolarHBondContact CG-OD2 3.16Å; L119-D138 PolarHBondContact N-OD2 3.19Å; C136-D138 WeakPolarHBondContact CB-OD1 3.29Å; C136-D138 PolarHBondContact O-N 3.23Å; D138-S140 VanDerWaalsContact CG-CB 3.47Å; D138-S140 VanDerWaalsContact CG-OG 3.22Å; D138-S140 PolarHBondContact O-N 3.37Å; D138-S140 VanDerWaalsContact O-N 3.12Å; D138-S140 WeakPolarHBondContact OD1-CB 3.27Å; D138-S140 PolarHBondContact OD1-N 2.96Å; D138-S140 VanDerWaalsContact OD1-N 3.1Å; D138-S140 PolarHBondContact OD1-OG 2.97Å; D138-S140 VanDerWaalsContact OD2-CB 3.29Å; D138-S140 WeakPolarHBondContact OD2-CB 3.21Å; D138-S140 PolarHBondContact OD2-OG 2.86Å
139S86.7Confident82.5Confident48 Ų4873.9 Ų73.934%0.33643%0.425SS..  trans5424.3-175-50.20000113.8P134 C136 D141 E142 L143P134-S139 WeakPolarHBondContact CB-OG 3.35Å; C136-S139 WeakPolarHBondContact O-CA 3.4Å; C136-S139 PolarHBondContact O-N 2.83Å; S139-D141 VanDerWaalsContact CA-OD1 3.26Å; S139-D141 WeakPolarHBondContact CA-OD1 3.38Å; S139-D141 PolarHBondContact O-N 2.98Å; S139-E142 PolarHBondContact O-N 3.41Å; S139-E142 VanDerWaalsContact O-N 3.1Å; S139-L143 WeakPolarHBondContact O-CG 3.46Å
140S85.6Confident81Confident7 Ų776.3 Ų76.35%0.04944%0.442CS..G310 helixtrans-66-22.8-177.254.80000114.2M118 D138 E142 L143M118-S140 VanDerWaalsContact CG-CB 3.48Å; M118-S140 PolarHBondContact N-OG 2.91Å; D138-S140 VanDerWaalsContact CG-CB 3.47Å; D138-S140 VanDerWaalsContact CG-OG 3.22Å; D138-S140 PolarHBondContact O-N 3.37Å; D138-S140 VanDerWaalsContact O-N 3.12Å; D138-S140 WeakPolarHBondContact OD1-CB 3.27Å; D138-S140 PolarHBondContact OD1-N 2.96Å; D138-S140 VanDerWaalsContact OD1-N 3.1Å; D138-S140 PolarHBondContact OD1-OG 2.97Å; D138-S140 VanDerWaalsContact OD2-CB 3.29Å; D138-S140 WeakPolarHBondContact OD2-CB 3.21Å; D138-S140 PolarHBondContact OD2-OG 2.86Å; S140-E142 PolarHBondContact O-N 3.39Å; S140-L143 PolarHBondContact O-N 3.29Å
141D87.4Confident79.4Confident1 Ų178.9 Ų78.91%0.00545%0.451CS..G310 helixtrans-63.2-23.5171.655.7-50000113.7I124 C130 H133 D135 C136 S139I124-D141 HydrophobicContact CD1-CB 3.52Å; C130-D141 PolarHBondContact N-O 3.05Å; H133-D141 VanDerWaalsContact O-OD2 3.06Å; D135-D141 WeakPolarHBondContact CA-OD2 3.22Å; D135-D141 WeakPolarHBondContact CB-OD2 3.37Å; D135-D141 PolarHBondContact N-OD2 2.02Å; C136-D141 HydrophobicContact CB-CB 4.46Å; C136-D141 WeakPolarHBondContact CB-OD1 3.33Å; C136-D141 PolarHBondContact N-OD1 3.03Å; C136-D141 VanDerWaalsContact N-OD1 3.11Å; C136-D141 PolarHBondContact N-OD2 3.44Å; S139-D141 VanDerWaalsContact CA-OD1 3.26Å; S139-D141 WeakPolarHBondContact CA-OD1 3.38Å; S139-D141 PolarHBondContact O-N 2.98Å
142E92.1Very high77.6Confident52 Ų5282.5 Ų82.524%0.24347%0.47CS..G310 helixtrans-106.43.9179-65.7-61.8136.800113C130 D131 G132 H133 S139 S140 C145C130-E142 VanDerWaalsContact CA-OE1 3.24Å; C130-E142 WeakPolarHBondContact CA-OE1 3.43Å; C130-E142 PolarHBondContact N-OE1 3.16Å; D131-E142 PolarHBondContact N-OE1 3.44Å; G132-E142 WeakPolarHBondContact CA-OE2 3.43Å; G132-E142 PolarHBondContact N-OE1 3.37Å; G132-E142 PolarHBondContact N-OE2 2.94Å; H133-E142 VanDerWaalsContact O-CG 3.31Å; H133-E142 WeakPolarHBondContact O-CG 3.22Å; S139-E142 PolarHBondContact O-N 3.41Å; S139-E142 VanDerWaalsContact O-N 3.1Å; S140-E142 PolarHBondContact O-N 3.39Å; E142-C145 VanDerWaalsContact C-SG 3.57Å; E142-C145 PolarHBondContact O-SG 2.74Å
143L85.1Confident76Confident95 Ų9589.1 Ų89.150%0.49748%0.481SS..THydrogen-bonded Turntrans-92.4144.1177.1-62.4179.7000111.4S139 S140 C145S139-L143 WeakPolarHBondContact O-CG 3.46Å; S140-L143 PolarHBondContact O-N 3.29Å; L143-C145 PolarHBondContact O-N 3.48Å
144S77.3Confident74.4Confident94 Ų9490.2 Ų90.266%0.65749%0.489SS*.THydrogen-bonded Turntrans57.734.3179.7-165.10000113.4D146S144-D146 PolarHBondContact O-N 3.46Å
145C80.4Confident72.1Confident34 Ų3495.5 Ų95.523%0.2351%0.505CS..  trans-77.292.7163-54.90000106.6C130 E142 L143 T147C130-C145 WeakPolarHBondContact CA-SG 3.46Å; C130-C145 HydrophobicContact CB-CB 3.71Å; C130-C145 WeakPolarHBondContact CB-SG 3.31Å; C130-C145 VanDerWaalsContact SG-CA 3.53Å; C130-C145 WeakPolarHBondContact SG-CB 2.98Å; C130-C145 CovalentContact SG-SG 2.02Å; C130-C145 PolarHBondContact SG-SG 2.94Å; E142-C145 VanDerWaalsContact C-SG 3.57Å; E142-C145 PolarHBondContact O-SG 2.74Å; L143-C145 PolarHBondContact O-N 3.48Å; C145-T147 VanDerWaalsContact C-N 3.27Å; C145-T147 PolarHBondContact O-N 2.94Å
146D75.9Confident70.3Confident149 Ų149102.1 Ų102.180%0.79753%0.534SS*.  trans-60.6101.4167.9-73.6-38.9000106.6S144 D148S144-D146 PolarHBondContact O-N 3.46Å; D146-D148 PolarHBondContact O-N 2.9Å
147T65.4Low68.6Low111 Ų111110.3 Ų110.368%0.68157%0.572SS**  trans-70.680.6174.455.80000107.1C145 T149C145-T147 VanDerWaalsContact C-N 3.27Å; C145-T147 PolarHBondContact O-N 2.94Å; T147-T149 PolarHBondContact O-N 3Å
148D53.8Low66.7Low113 Ų113111.8 Ų111.860%0.60458%0.575SS**  trans-76.527.3164-137.72.2000111.1D146 E150D146-D148 PolarHBondContact O-N 2.9Å; D148-E150 PolarHBondContact O-N 2.8Å
149T59.7Low64.9Low125 Ų125118 Ų11877%0.76761%0.609SS**THydrogen-bonded Turntrans-92.638.416955.50000111.9T147T147-T149 PolarHBondContact O-N 3Å
150E55.8Low62.9Low172 Ų172119.4 Ų119.480%0.80462%0.623SS**THydrogen-bonded Turntrans-138.121.3155.3-131.5177.4-162.200114.2D148D148-E150 PolarHBondContact O-N 2.8Å
151I55.5Low60.7Low101 Ų101124.9 Ų124.952%0.51866%0.656SS.*THydrogen-bonded Turntrans-121.3-12.7167.7-63.5-168000114.2K153I151-K153 PolarHBondContact O-N 2.99Å
152D52.4Low58.5Low154 Ų154130.6 Ų130.682%0.82469%0.691SS**THydrogen-bonded Turntrans-88.513.3177.9-87.4-8.8000115.9
153K49.9Very low55.6Low205 Ų205133.5 Ų133.589%0.89171%0.713SS**THydrogen-bonded Turntrans-120.46.4171.9-71.3-172.4-177.6174.70116I151I151-K153 PolarHBondContact O-N 2.99Å
154I56.9Low53.9Low128 Ų128140.7 Ų140.766%0.65673%0.733SS**SBendtrans-127.127.1180-39.4-178.7000113.3
155F44Very low52.2Low182 Ų182143.1 Ų143.180%0.79874%0.737SS**  trans-138.560.6166.1-73.1-74.6000112.9
156Q51.4Low50.2Low182 Ų182147 Ų14785%0.8576%0.764SS**SBendtrans-130.1124.8135.4-68.8-158.84.900107.9
157E54.2Low48Very low178 Ų178144.9 Ų144.983%0.83276%0.757SS**SBendtrans79.4110.4-177-53.8177.1-179.400113
158E45.6Very low46.3Very low179 Ų179145.7 Ų145.784%0.83676%0.762SS**  cis-149.913220.1-64.5-172.1143.100111.4A160E158-A160 PolarHBondContact O-N 3Å
159N47.2Very low45.6Very low169 Ų169149.2 Ų149.290%0.90478%0.778SS**  trans-58103.2158.5-176.323.5000109.9
160A45.9Very low44.6Very low77 Ų77152.6 Ų152.664%0.63679%0.785SS**  trans178.7133.1139.400000113.3E158E158-A160 PolarHBondContact O-N 3Å
161T38.6Very low43.4Very low122 Ų122151.3 Ų151.375%0.74878%0.783SS**  trans92.693.3145.4-40.50000117.5
162T40.3Very low42.5Very low120 Ų120153.6 Ų153.674%0.73679%0.792SS**  73.1104.8118.8-530000117.8
163T33Very low41.6Very low114 Ų114151.9 Ų151.970%0.69979%0.787SS**  153.9116.1109-62.50000109.5I165T163-I165 HydrophobicContact CG2-CG1 4.32Å; T163-I165 PolarHBondContact O-N 2.73Å
164R49.6Very low40.6Very low245 Ų245147.3 Ų147.393%0.92578%0.781SS**  trans-57.9127.8163.3-72.2173.9170.8129-2.3109.8
165I40.2Very low39.7Very low146 Ų146149.3 Ų149.375%0.74979%0.785SS**  trans-135.5115.6144-57.5-177.5000108.3T163T163-I165 HydrophobicContact CG2-CG1 4.32Å; T163-I165 PolarHBondContact O-N 2.73Å
166S39.5Very low39.6Very low114 Ų114152.3 Ų152.380%0.79779%0.791SS**  trans-98.7122.4164-178.40000106
167T29.4Very low38.9Very low105 Ų105150.4 Ų150.464%0.64479%0.787SS**  trans-176.9107.6159.5380000108.8
168T29.4Very low38.1Very low129 Ų129148.3 Ų148.379%0.79179%0.786SS**  87.6124.8106.558.20000115.2
169M39.8Very low37.6Very low187 Ų187145.7 Ų145.792%0.92178%0.782SS**  trans-55.4128.8163.9-66.3-80.6-164.700111.3
170E37.4Very low36.8Very low196 Ų196147.2 Ų147.292%0.91678%0.781SS**  trans-142.7134.9147.5-70.3-163.5150.900110.2
171N30.9Very low36.2Very low145 Ų145149 Ų14978%0.77578%0.784SS**  trans-90.5159.4178.6-173.824.4000110.2
172E36.3Very low36.4Very low149 Ų149148.7 Ų148.770%0.69679%0.787SS**  trans86.8103.4161.2-63.1-114.5121.300120.7
173T33.5Very low36.3Very low118 Ų118147.7 Ų147.772%0.72479%0.791SS**  46.7119.412862.40000120.9
174S30.3Very low36.4Very low109 Ų109145.9 Ų145.976%0.76280%0.795SS**  179.4117.2112.8-1720000112.5
175F36.4Very low35.6Very low170 Ų170142 Ų14275%0.74679%0.793SS**  trans28117.6144-82.6-96.3000120.4
176R43.1Very low35.7Very low245 Ų245140.2 Ų140.293%0.92579%0.793SS**  -141.6122123-71.4-161.7179.5-170.1-0.4111.7
177N35.9Very low35.7Very low142 Ų142139.5 Ų139.576%0.75979%0.788SS**  trans-56.9126.9170.2-70.9-21.5000111.1
178V38.1Very low36.4Very low133 Ų133145 Ų14581%0.80680%0.797SS**  trans-127.8108.3155.5-177.60000107.7F180V178-F180 PolarHBondContact O-N 2.96Å
179T34Very low36.9Very low125 Ų125145.8 Ų145.877%0.76780%0.796SS**  trans-50.8112.9165.628.80000110.4T181T179-T181 PolarHBondContact O-N 2.74Å
180F32.3Very low37.4Very low200 Ų200143 Ų14388%0.87779%0.792SS**  trans-89.395.7164.7-163.1-102000108.7V178V178-F180 PolarHBondContact O-N 2.96Å
181T32.8Very low38.2Very low114 Ų114139.3 Ų139.370%0.69979%0.788SS**  trans-63.9127.4166.542.50000109.5T179 A183T179-T181 PolarHBondContact O-N 2.74Å; T181-A183 PolarHBondContact O-N 2.86Å
182S43.1Very low39.2Very low116 Ų116135.4 Ų135.481%0.81178%0.776SS**  trans-61.9127.6167.450.70000110.6
183A36.9Very low39.9Very low99 Ų99137.7 Ų137.782%0.81878%0.779SS**  trans-125.9106.1155.500000106.2T181T181-A183 PolarHBondContact O-N 2.86Å
184G36.2Very low40.6Very low76 Ų76135.2 Ų135.278%0.78478%0.777SS**  trans-69.8141.5162.700000109.1
185D31.9Very low41.7Very low165 Ų165135.1 Ų135.188%0.88277%0.772SS**  trans-123.9132.9145.5-162.16.8000108.6
186S42.7Very low42.4Very low108 Ų108133.5 Ų133.576%0.75577%0.77SS**  trans-99.3135.8-165.6-71.60000110.5
187S38.5Very low42.7Very low98 Ų98125.3 Ų125.369%0.68575%0.754SS**  trans-151.5102.7143.7-140.90000113.4
188R44.9Very low43.4Very low222 Ų222121.1 Ų121.184%0.83874%0.739SS**  trans74.299.4138.6-69.1172.1168.4154.4-2.4120.3
189N39.4Very low44Very low145 Ų145117.9 Ų117.978%0.77573%0.727SS**  179.9123.996.1-110.4-29.6000111.9S191N189-S191 PolarHBondContact O-N 2.86Å
190P51.1Low44.9Very low128 Ų128114 Ų11483%0.83171%0.712SS**  trans-100.949.8-168.539.1-35.5000115.4
191S54.9Low46.1Very low118 Ų118108.7 Ų108.783%0.82570%0.696SS**SBendtrans-138.95.8-178.8-128.40000118.5N189N189-S191 PolarHBondContact O-N 2.86Å
192A51.1Low47.1Very low64 Ų64108.5 Ų108.553%0.52969%0.69SS.*SBendtrans-110.5-16.4-178.500000115.3
193Y50.1Low47.9Very low196 Ų196106 Ų10677%0.76967%0.672SS**Hα-helixtrans-87.4-5.6-174.2-65.6-79.4000114.6
194G48.4Very low49.1Very low66 Ų66104 Ų10468%0.6866%0.656SS**Hα-helixtrans-79.2-13.7177.100000115
195V53Low50.9Low108 Ų108105.2 Ų105.266%0.65564%0.643SS**Hα-helixtrans-105.7-27-174.2-163.90000112.5A198V195-A198 PolarHBondContact O-N 2.76Å
196I51.9Low53Low135 Ų135102.4 Ų102.469%0.69263%0.628SS**Hα-helixtrans-83.1-24.5-176.9-53.7177.1000111.9A198I196-A198 VanDerWaalsContact C-N 3.34Å
197A49.5Very low54.8Low73 Ų73101.9 Ų101.960%0.60362%0.62SS**Hα-helixtrans-76.8-18.5171.500000113.6V201A197-V201 WeakPolarHBondContact O-CG2 3.23Å
198A50.2Low56.9Low54 Ų54100 Ų10045%0.44661%0.607SS.*Hα-helixtrans-84.2-31.4178.100000112.7V195 I196 L202V195-A198 PolarHBondContact O-N 2.76Å; I196-A198 VanDerWaalsContact C-N 3.34Å; A198-L202 PolarHBondContact O-N 3.31Å
199A51.8Low58.7Low65 Ų6591.4 Ų91.454%0.53758%0.583SS.*Hα-helixtrans-73.9-36.6-17800000113.5S203A199-S203 PolarHBondContact O-N 3.21Å; A199-S203 PolarHBondContact O-OG 3.2Å
200G52.7Low60.8Low45 Ų4588 Ų8846%0.46457%0.568SS.*Hα-helixtrans-72.9-25.7177.800000114.3S203G200-S203 PolarHBondContact O-OG 2.77Å
201V56.3Low62.4Low87 Ų8786.8 Ų86.853%0.52755%0.553SS.*Hα-helixtrans-83.4-35.1176.9-179.60000110.8A197 I205A197-V201 WeakPolarHBondContact O-CG2 3.23Å; V201-I205 HydrophobicContact CG1-CD1 3.79Å; V201-I205 HydrophobicContact CG1-CG1 4.49Å; V201-I205 WeakPolarHBondContact O-CD1 3.28Å; V201-I205 VanDerWaalsContact O-CG1 3.24Å; V201-I205 WeakPolarHBondContact O-CG1 3.45Å; V201-I205 PolarHBondContact O-N 3.42Å
202L53.7Low63.7Low111 Ų11186.1 Ų86.158%0.58154%0.54SS*.Hα-helixtrans-64.4-38.7173.8-115.283.9000112.4A198 I205 L206A198-L202 PolarHBondContact O-N 3.31Å; L202-I205 PolarHBondContact O-N 2.96Å; L202-L206 WeakPolarHBondContact O-CB 3.3Å; L202-L206 WeakPolarHBondContact O-CD1 3.05Å; L202-L206 WeakPolarHBondContact O-CG 3.49Å; L202-L206 PolarHBondContact O-N 3.27Å
203S60.8Low65.3Low62 Ų6288 Ų8843%0.43454%0.54SS..Hα-helixtrans-66.8-41.6179.7570000112.4A199 G200 L206 V207A199-S203 PolarHBondContact O-N 3.21Å; A199-S203 PolarHBondContact O-OG 3.2Å; G200-S203 PolarHBondContact O-OG 2.77Å; S203-L206 PolarHBondContact O-N 3.37Å; S203-V207 VanDerWaalsContact O-CG2 3.25Å; S203-V207 WeakPolarHBondContact O-CG2 3.49Å; S203-V207 PolarHBondContact O-N 3.25Å
204A62.7Low66.5Low58 Ų5882.6 Ų82.648%0.47952%0.524SS..Hα-helixtrans-67.8-36.5176.700000113.1S208A204-S208 WeakPolarHBondContact O-CB 3.36Å; A204-S208 PolarHBondContact O-N 2.93Å; A204-S208 PolarHBondContact O-OG 3.34Å
205I72.7Confident67.9Low101 Ų10183.8 Ų83.852%0.51852%0.515SS..Hα-helixtrans-69.1-39.4176.3-66.2168.6000110.8V201 L202 S208 A209V201-I205 HydrophobicContact CG1-CD1 3.79Å; V201-I205 HydrophobicContact CG1-CG1 4.49Å; V201-I205 WeakPolarHBondContact O-CD1 3.28Å; V201-I205 VanDerWaalsContact O-CG1 3.24Å; V201-I205 WeakPolarHBondContact O-CG1 3.45Å; V201-I205 PolarHBondContact O-N 3.42Å; L202-I205 PolarHBondContact O-N 2.96Å; I205-S208 WeakPolarHBondContact CA-OG 3.49Å; I205-S208 PolarHBondContact O-OG 3.46Å; I205-A209 WeakPolarHBondContact O-CB 3.49Å; I205-A209 PolarHBondContact O-N 3.28Å
206L76.6Confident69.2Low106 Ų10687.6 Ų87.656%0.55552%0.517SS*.Hα-helixtrans-68.3-40.4176.6-71.1169.2000112.3L202 S203 T210L202-L206 WeakPolarHBondContact O-CB 3.3Å; L202-L206 WeakPolarHBondContact O-CD1 3.05Å; L202-L206 WeakPolarHBondContact O-CG 3.49Å; L202-L206 PolarHBondContact O-N 3.27Å; S203-L206 PolarHBondContact O-N 3.37Å; L206-T210 WeakPolarHBondContact O-CB 3.03Å; L206-T210 VanDerWaalsContact O-CG2 3.22Å; L206-T210 WeakPolarHBondContact O-CG2 3.31Å; L206-T210 PolarHBondContact O-N 3.36Å; L206-T210 PolarHBondContact O-OG1 3.47Å
207V80.9Confident70.2Confident97 Ų9783.9 Ų83.959%0.58850%0.499SS*.Hα-helixtrans-66.8-41.2176.3173.40000111.3S203 T210 L211S203-V207 VanDerWaalsContact O-CG2 3.25Å; S203-V207 WeakPolarHBondContact O-CG2 3.49Å; S203-V207 PolarHBondContact O-N 3.25Å; V207-T210 WeakPolarHBondContact CA-OG1 3.05Å; V207-T210 PolarHBondContact O-OG1 3.01Å; V207-L211 WeakPolarHBondContact O-CB 3.07Å; V207-L211 PolarHBondContact O-N 3.42Å
208S83.1Confident71.3Confident59 Ų5986.3 Ų86.341%0.41349%0.492SS..Hα-helixtrans-69.2-41.117754.10000112.5A204 I205 L211 L212A204-S208 WeakPolarHBondContact O-CB 3.36Å; A204-S208 PolarHBondContact O-N 2.93Å; A204-S208 PolarHBondContact O-OG 3.34Å; I205-S208 WeakPolarHBondContact CA-OG 3.49Å; I205-S208 PolarHBondContact O-OG 3.46Å; S208-L211 PolarHBondContact O-N 2.03Å; S208-L212 WeakPolarHBondContact O-CB 3.3Å; S208-L212 VanDerWaalsContact O-CG 3.3Å; S208-L212 WeakPolarHBondContact O-CG 3.16Å; S208-L212 PolarHBondContact O-N 3.31Å
209A82.1Confident72.2Confident41 Ų4187.1 Ų87.134%0.33951%0.506SS..Hα-helixtrans-64.6-42.9175.700000112.3I205 L212 I213I205-A209 WeakPolarHBondContact O-CB 3.49Å; I205-A209 PolarHBondContact O-N 3.28Å; A209-L212 PolarHBondContact O-N 2.96Å; A209-I213 WeakPolarHBondContact O-CD1 3.32Å; A209-I213 VanDerWaalsContact O-CG1 3.23Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 2.8Å
210T84.3Confident73.4Confident74 Ų7490.6 Ų90.645%0.45451%0.511SS..Hα-helixtrans-65.3-41.717748.90000111.9L206 V207 L212 I213 L214L206-T210 WeakPolarHBondContact O-CB 3.03Å; L206-T210 VanDerWaalsContact O-CG2 3.22Å; L206-T210 WeakPolarHBondContact O-CG2 3.31Å; L206-T210 PolarHBondContact O-N 3.36Å; L206-T210 PolarHBondContact O-OG1 3.47Å; V207-T210 WeakPolarHBondContact CA-OG1 3.05Å; V207-T210 PolarHBondContact O-OG1 3.01Å; T210-L212 PolarHBondContact O-N 3.25Å; T210-I213 PolarHBondContact O-N 3.19Å; T210-L214 VanDerWaalsContact O-CG 3.31Å; T210-L214 WeakPolarHBondContact O-CG 3.38Å; T210-L214 PolarHBondContact O-N 2.03Å
211L83.8Confident74.1Confident102 Ų10291.5 Ų91.553%0.53452%0.521SS..Hα-helixtrans-62-42.2174.8-174.864.5000112V207 S208 L214 L215V207-L211 WeakPolarHBondContact O-CB 3.07Å; V207-L211 PolarHBondContact O-N 3.42Å; S208-L211 PolarHBondContact O-N 2.03Å; L211-L214 PolarHBondContact O-N 3.29Å; L211-L215 HydrophobicContact CG-CD1 4.33Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.47Å
212L83.3Confident74.7Confident105 Ų10596.2 Ų96.255%0.5553%0.53SS..Hα-helixtrans-64.6-40.5176.1-73.3172.8000112.2S208 A209 T210 L215 R216S208-L212 WeakPolarHBondContact O-CB 3.3Å; S208-L212 VanDerWaalsContact O-CG 3.3Å; S208-L212 WeakPolarHBondContact O-CG 3.16Å; S208-L212 PolarHBondContact O-N 3.31Å; A209-L212 PolarHBondContact O-N 2.96Å; T210-L212 PolarHBondContact O-N 3.25Å; L212-L215 PolarHBondContact O-N 2.95Å; L212-R216 VanDerWaalsContact O-CG 3.25Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.72Å
213I83.4Confident75.1Confident102 Ų10294.3 Ų94.352%0.52352%0.521SS..Hα-helixtrans-62.5-44.7174.9-68.8163.5000110.4A209 T210 L215 R216 L217A209-I213 WeakPolarHBondContact O-CD1 3.32Å; A209-I213 VanDerWaalsContact O-CG1 3.23Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 2.8Å; T210-I213 PolarHBondContact O-N 3.19Å; I213-L215 PolarHBondContact O-N 3.05Å; I213-R216 PolarHBondContact O-N 3.25Å; I213-L217 HydrophobicContact CG2-CD1 3.91Å; I213-L217 HydrophobicContact CG2-CG 4.32Å; I213-L217 WeakPolarHBondContact O-CG 3.45Å; I213-L217 PolarHBondContact O-N 3.3Å
214L76.7Confident75.3Confident84 Ų8494.3 Ų94.344%0.4452%0.519SS..Hα-helixtrans-62.8-40.1177.4-70.5173.1000112.4T210 L211 R216 L217 R218 L223T210-L214 VanDerWaalsContact O-CG 3.31Å; T210-L214 WeakPolarHBondContact O-CG 3.38Å; T210-L214 PolarHBondContact O-N 2.03Å; L211-L214 PolarHBondContact O-N 3.29Å; L214-R216 VanDerWaalsContact C-N 3.35Å; L214-L217 PolarHBondContact O-N 2.88Å; L214-R218 WeakPolarHBondContact O-CB 3.34Å; L214-R218 PolarHBondContact O-N 3.38Å; L214-L223 HydrophobicContact CD2-CD2 3.96Å
215L77.4Confident75.4Confident91 Ų9195.1 Ų95.148%0.47652%0.519SS..Hα-helixtrans-65.9-36.4175.1-70.7172.4000112.2L211 L212 I213 G219L211-L215 HydrophobicContact CG-CD1 4.33Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.47Å; L212-L215 PolarHBondContact O-N 2.95Å; I213-L215 PolarHBondContact O-N 3.05Å; L215-G219 PolarHBondContact O-N 3.42Å
216R80.2Confident74.8Confident187 Ų18793.9 Ų93.971%0.70652%0.518SS*.Hα-helixtrans-69.1-44.2175-70.2-66.8-162.1-115.81112.1L212 I213 L214 R218 G219 Q220L212-R216 VanDerWaalsContact O-CG 3.25Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.72Å; I213-R216 PolarHBondContact O-N 3.25Å; L214-R216 VanDerWaalsContact C-N 3.35Å; R216-R218 VanDerWaalsContact C-N 3.25Å; R216-R218 PolarHBondContact O-N 2.97Å; R216-G219 PolarHBondContact O-N 2.88Å; R216-G219 VanDerWaalsContact O-N 3.13Å; R216-Q220 WeakPolarHBondContact O-CG 3.25Å; R216-Q220 PolarHBondContact O-N 3.19Å
217L73.4Confident73.9Confident58 Ų5891.4 Ų91.430%0.30452%0.518SS..Hα-helixtrans-61.7-35.4175.4-71.4173.6000111.8I213 L214 Q220 G221 Y222 L223I213-L217 HydrophobicContact CG2-CD1 3.91Å; I213-L217 HydrophobicContact CG2-CG 4.32Å; I213-L217 WeakPolarHBondContact O-CG 3.45Å; I213-L217 PolarHBondContact O-N 3.3Å; L214-L217 PolarHBondContact O-N 2.88Å; L217-Q220 CarbonylContact O-C 3.59Å; L217-Q220 PolarHBondContact O-N 2.99Å; L217-G221 PolarHBondContact O-N 2.98Å; L217-Y222 PolarHBondContact O-N 3.45Å; L217-L223 HydrophobicContact CB-CD1 4.34Å
218R71.4Confident72.7Confident123 Ų12391.5 Ų91.546%0.46451%0.514SS..Hα-helixtrans-67.8-39.5172.8-168.3172.4-175.1176.3-10.8112.7L214 R216 Q220 G221 P226L214-R218 WeakPolarHBondContact O-CB 3.34Å; L214-R218 PolarHBondContact O-N 3.38Å; R216-R218 VanDerWaalsContact C-N 3.25Å; R216-R218 PolarHBondContact O-N 2.97Å; R218-Q220 PolarHBondContact O-N 3.47Å; R218-G221 PolarHBondContact O-N 3.03Å; R218-P226 VanDerWaalsContact CZ-CD 3.4Å
219G69.3Low71.3Confident72 Ų7294.4 Ų94.474%0.74252%0.524SS*.Hα-helixtrans-65.5-25.7172.400000113.7L215 R216L215-G219 PolarHBondContact O-N 3.42Å; R216-G219 PolarHBondContact O-N 2.88Å; R216-G219 VanDerWaalsContact O-N 3.13Å
220Q76.3Confident70Confident137 Ų13796.9 Ų96.964%0.6454%0.535SS*.THydrogen-bonded Turntrans-90.12.1175.3-68.7179.2-38.200113.7R216 L217 R218 Y222R216-Q220 WeakPolarHBondContact O-CG 3.25Å; R216-Q220 PolarHBondContact O-N 3.19Å; L217-Q220 CarbonylContact O-C 3.59Å; L217-Q220 PolarHBondContact O-N 2.99Å; R218-Q220 PolarHBondContact O-N 3.47Å; Q220-Y222 VanDerWaalsContact C-N 3.32Å; Q220-Y222 HydrophobicContact CB-CD2 4.09Å; Q220-Y222 PolarHBondContact O-N 3.38Å
221G69.1Low68.4Low65 Ų6595.8 Ų95.867%0.6753%0.534SS*.THydrogen-bonded Turntrans76.110.217700000115.5L217 R218L217-G221 PolarHBondContact O-N 2.98Å; R218-G221 PolarHBondContact O-N 3.03Å
222Y68.6Low67.1Low185 Ų18594.7 Ų94.773%0.72553%0.531SS*.  trans-79.6-15.8179.2-88-87000113.8L217 Q220L217-Y222 PolarHBondContact O-N 3.45Å; Q220-Y222 VanDerWaalsContact C-N 3.32Å; Q220-Y222 HydrophobicContact CB-CD2 4.09Å; Q220-Y222 PolarHBondContact O-N 3.38Å
223L60.7Low65.7Low72 Ų7296.6 Ų96.638%0.37754%0.535SS..SBendtrans-118.9128.6179.6-109.373.3000111.2L214 L217L214-L223 HydrophobicContact CD2-CD2 3.96Å; L217-L223 HydrophobicContact CB-CD1 4.34Å
224P66.6Low64.4Low61 Ų6197.1 Ų97.140%0.39654%0.535SS..  trans-66.3152.4174.927.8-33.1000111.2L228P224-L228 HydrophobicContact CB-CB 4.44Å; P224-L228 HydrophobicContact CB-CD2 3.94Å
225P63.2Low63.3Low76 Ų7697.1 Ų97.149%0.49454%0.542SS..  trans-60.8145.7176.125.1-32.2000110.6G227 L228P225-G227 PolarHBondContact O-N 2.95Å; P225-L228 HydrophobicContact CG-CB 4.47Å; P225-L228 WeakPolarHBondContact O-CB 3.36Å; P225-L228 PolarHBondContact O-N 2.9Å
226P61.2Low62.1Low75 Ų7598.3 Ų98.349%0.48755%0.548SS..Hα-helixtrans-62-16.9-173.624.5-33.2000113.3R218 L228R218-P226 VanDerWaalsContact CZ-CD 3.4Å; P226-L228 VanDerWaalsContact C-N 3.35Å
227G58.3Low60.9Low53 Ų5393.9 Ų93.955%0.54654%0.538SS..Hα-helixtrans-74-18.817200000114.8P225P225-G227 PolarHBondContact O-N 2.95Å
228L54.3Low59.9Low100 Ų10097.1 Ų97.152%0.52456%0.555SS.*Hα-helixtrans-82.8-32.6-179-159.778.6000112.1P224 P225 P226 V232P224-L228 HydrophobicContact CB-CB 4.44Å; P224-L228 HydrophobicContact CB-CD2 3.94Å; P225-L228 HydrophobicContact CG-CB 4.47Å; P225-L228 WeakPolarHBondContact O-CB 3.36Å; P225-L228 PolarHBondContact O-N 2.9Å; P226-L228 VanDerWaalsContact C-N 3.35Å; L228-V232 WeakPolarHBondContact O-CG2 3.21Å; L228-V232 PolarHBondContact O-N 3.01Å
229L53.4Low58.6Low119 Ų11994.8 Ų94.862%0.62356%0.558SS**Hα-helixtrans-74.3-29.7177.7-78.6171.1000112.8K233L229-K233 PolarHBondContact O-N 3.32Å
230V54.9Low57.8Low94 Ų9498.2 Ų98.257%0.5755%0.554SS**Hα-helixtrans-68.4-42.4172.6177.30000110.5V232 K233 E234V230-V232 PolarHBondContact O-N 3.09Å; V230-K233 PolarHBondContact O-N 3.2Å; V230-E234 WeakPolarHBondContact O-CG 3.09Å; V230-E234 PolarHBondContact O-N 3.42Å
231A50.8Low56.7Low51 Ų51102.1 Ų102.142%0.42156%0.563SS.*Hα-helixtrans-65.9-34.3179.100000113.9S235A231-S235 PolarHBondContact O-N 3.03Å; A231-S235 PolarHBondContact O-OG 3.2Å
232V56.9Low55.9Low78 Ų78107.2 Ų107.247%0.47357%0.567SS.*Hα-helixtrans-75.5-33.7178.1175.20000112L228 V230 S235 L236L228-V232 WeakPolarHBondContact O-CG2 3.21Å; L228-V232 PolarHBondContact O-N 3.01Å; V230-V232 PolarHBondContact O-N 3.09Å; V232-S235 PolarHBondContact O-N 3.22Å; V232-L236 HydrophobicContact CG1-CD1 4.22Å; V232-L236 PolarHBondContact O-N 3.23Å
233K54.5Low55.2Low146 Ų146103.8 Ų103.864%0.63557%0.565SS**Hα-helixtrans-68.3-41.3176.8-167.5175.2177.3-167.30111.9L229 V230 S235 L236 L237L229-K233 PolarHBondContact O-N 3.32Å; V230-K233 PolarHBondContact O-N 3.2Å; K233-S235 VanDerWaalsContact C-N 3.33Å; K233-S235 PolarHBondContact O-N 2.83Å; K233-L236 PolarHBondContact O-N 2.67Å; K233-L237 WeakPolarHBondContact O-CG 3.48Å; K233-L237 PolarHBondContact O-N 3.13Å
234E55.6Low54.5Low113 Ų113105.6 Ų105.653%0.52858%0.584SS.*Hα-helixtrans-65.2-35.6174.7-68.6-59.2131.200112.3V230 L238V230-E234 WeakPolarHBondContact O-CG 3.09Å; V230-E234 PolarHBondContact O-N 3.42Å; E234-L238 PolarHBondContact O-N 3.4Å
235S53.2Low53.7Low84 Ų84110.3 Ų110.359%0.58761%0.605SS**Hα-helixtrans-72.1-30.7179.7-57.10000113.6A231 V232 K233A231-S235 PolarHBondContact O-N 3.03Å; A231-S235 PolarHBondContact O-OG 3.2Å; V232-S235 PolarHBondContact O-N 3.22Å; K233-S235 VanDerWaalsContact C-N 3.33Å; K233-S235 PolarHBondContact O-N 2.83Å
236L53.1Low52.8Low115 Ų115117.3 Ų117.360%0.60264%0.636SS**Hα-helixtrans-77.6-36.5177.2-84.2162.2000112.3V232 K233 L238 S239 E240V232-L236 HydrophobicContact CG1-CD1 4.22Å; V232-L236 PolarHBondContact O-N 3.23Å; K233-L236 PolarHBondContact O-N 2.67Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 3.31Å; L236-S239 PolarHBondContact O-N 3.01Å; L236-S239 VanDerWaalsContact O-N 3.16Å; L236-E240 PolarHBondContact O-N 3.36Å
237L54.3Low52.4Low94 Ų94119.4 Ų119.449%0.49264%0.643SS.*Hα-helixtrans-68.1-30177.8-69176.2000112.9K233 S239K233-L237 WeakPolarHBondContact O-CG 3.48Å; K233-L237 PolarHBondContact O-N 3.13Å; L237-S239 VanDerWaalsContact C-N 3.31Å
238L51.9Low52.1Low127 Ų127122.9 Ų122.967%0.66565%0.648SS**Hα-helixtrans-73.1-22173.4-112.8119.5000113.4E234 L236E234-L238 PolarHBondContact O-N 3.4Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 3.31Å
239S45.1Very low51.9Low73 Ų73124.2 Ų124.251%0.5166%0.655SS.*Hα-helixtrans-82.2-31.4179.2-167.70000112.6L236 L237L236-S239 PolarHBondContact O-N 3.01Å; L236-S239 VanDerWaalsContact O-N 3.16Å; L237-S239 VanDerWaalsContact C-N 3.31Å
240E52.8Low51.8Low144 Ų144124.5 Ų124.567%0.67366%0.657SS**Hα-helixtrans-79-25.8-179.9-70.5-167.214600113.4L236 K242 T243L236-E240 PolarHBondContact O-N 3.36Å; E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.34Å; E240-T243 PolarHBondContact O-OG1 3.24Å
241R52.2Low51.6Low220 Ų220126.4 Ų126.483%0.8366%0.663SS**SBendtrans-71.3-21.4173.5-83.8-168.1-151.5-178.27.2113.9
242K52.5Low51.7Low172 Ų172131.4 Ų131.475%0.74868%0.679SS**SBendtrans-89.8-14.9-178.3-100.7-179177.3176.90114.8E240E240-K242 VanDerWaalsContact C-N 3.31Å; E240-K242 PolarHBondContact O-N 3.34Å
243T53Low51.3Low112 Ų112135.2 Ų135.269%0.68769%0.693SS**SBendtrans-94.8-3.1179.1420000114.7E240E240-T243 PolarHBondContact O-OG1 3.24Å
244S46.3Very low51.1Low110 Ų110134.4 Ų134.477%0.76970%0.698SS**SBendtrans-96.98177-160.50000114.3
245L50.6Low50.7Low160 Ų160136.2 Ų136.284%0.83871%0.712SS**  trans-12430.3-177.9-111.1160.4000113.1
246I43.7Very low50.5Low223 Ų223140.9 Ų140.9100%1.14472%0.723SS**  trans-125.40162.7-59.7175.6000108.6

Retrieved 246 of 246 residues in 130.4 ms (Link to these results)