A0A087Y6B5_POEFO Loading...

Phosphatidylinositol-4,5-bisphosphate 4-phosphatase

Catalyzes the hydrolysis of phosphatidylinositol-4,5-bisphosphate (PtdIns-4,5-P2) to phosphatidylinositol-4-phosphate (PtdIns-4-P).

AlphaFold DB , UniProt , Accession A0A087Y6B5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 257 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
1M41.9Very low40Very low252 Ų252144.5 Ų144.5100%1.24182%0.823SS**  0107.80-72.1-170.517400107.5
2A39.1Very low39.5Very low109 Ų109145.3 Ų145.390%0.90182%0.822SS**  trans-147.2134.7166.800000106.2
3S40.8Very low38.8Very low108 Ų108146.5 Ų146.576%0.75582%0.824SS**  trans-77.9165.9-163.3-179.50000114.2
4D38.6Very low38.3Very low160 Ų160144.3 Ų144.386%0.85682%0.822SS**  trans123.2125.1151.4-71.2-4.4000112.3
5G37.5Very low37.8Very low75 Ų75140.7 Ų140.777%0.77382%0.818SS**  cis159.4120.59.900000105.6
6M41.6Very low38.5Very low169 Ų169139.3 Ų139.383%0.83381%0.814SS**  trans-76.3143.4-168.8-91.5151.966.700114.3
7D38.7Very low38Very low129 Ų129141.5 Ų141.569%0.6982%0.822SS**  trans68.2131.6132.6-55.3-36000124.2
8E33.4Very low37.6Very low154 Ų154139.4 Ų139.472%0.7282%0.817SS**  trans98129.5131.3-127.8-175.394.900121.9
9R34.3Very low37.3Very low214 Ų214142.8 Ų142.881%0.80882%0.824SS**  111111.4128.5-143.6167-174.2125.1-7.9118.5
10S39.6Very low37Very low108 Ų108142.5 Ų142.576%0.75582%0.819SS**  trans-100.8179.1145.2-48.20000108.3
11P54.2Low36.9Very low111 Ų111142.7 Ų142.772%0.72182%0.822SS**  cis-131.8-176.6-26.126.5-3.2000113.2
12L34.4Very low36.5Very low154 Ų154136.2 Ų136.281%0.80680%0.797SS**  trans135.8146.7138.5-68.9-177.6000118.3
13L30.7Very low36.9Very low162 Ų162136.1 Ų136.185%0.84879%0.788SS**  trans87.8133.3164-55.6173.1000117
14S30.7Very low36.4Very low115 Ų115137.4 Ų137.480%0.80479%0.791SS**  cis-158.7156.537-54.90000114.3
15A31.4Very low36.1Very low91 Ų91134 Ų13475%0.75279%0.785SS**  trans-98.8-158.9164.700000110.5
16P48.3Very low36.9Very low118 Ų118136.1 Ų136.177%0.76679%0.785SS**  -117.2176.8-64.833.9-17.9000111.8
17N30.3Very low36.9Very low176 Ų176134 Ų13494%0.94178%0.784SS**  trans-143.8133.7156.7-105.5-8.8000111.9
18S32.2Very low36.5Very low104 Ų104138 Ų13873%0.72779%0.79SS**  trans-104.9139.6-174.9152.60000109
19E31.4Very low36.5Very low204 Ų204139.1 Ų139.195%0.95380%0.801SS**  trans-157.7142.3144.4-112.5172.9146.400111.4
20N31.4Very low36.5Very low136 Ų136137.2 Ų137.273%0.72780%0.801SS**  trans-127.1125.6-158.4179.257.2000107.9
21V34.4Very low36Very low147 Ų147139.2 Ų139.289%0.89180%0.803SS**  trans-148.6114.8161.9-173.20000110.6
22T34.3Very low34.9Very low116 Ų116138.5 Ų138.571%0.71280%0.801SS**  trans-103.6171.4154.3-31.90000105.9
23P47.4Very low34.9Very low108 Ų108136.5 Ų136.570%0.70180%0.8SS**  cis-138.4-175.48.341-21.1000114.2
24T30Very low35.5Very low135 Ų135133.9 Ų133.983%0.82879%0.793SS**  158133.2129.7-57.80000111.7
25A32.7Very low35.7Very low87 Ų87140 Ų14072%0.71980%0.798SS**  trans-122.1-177.4167.400000108.8
26P53.5Low35.9Very low120 Ų120140 Ų14078%0.77980%0.798SS**  -114.5-175.1-63.340.6-26.1000110.6
27P41.7Very low35.2Very low124 Ų124143.5 Ų143.581%0.80580%0.804SS**  -153.9172.882.836.9-13.8000117
28Y30.8Very low35.9Very low213 Ų213142.4 Ų142.484%0.83580%0.798SS**  trans-35.1141.4176.8-85.9-106.5000119.6
29L33.3Very low36.4Very low178 Ų178142.6 Ų142.693%0.93280%0.797SS**  trans-149.5131.2134.6-96.6-179.8000110.6
30Q33.4Very low36.9Very low174 Ų174138.6 Ų138.681%0.81379%0.788SS**  trans-80.6141.7171.8-81.6166.7-59.500110.7
31D28.8Very low37.3Very low150 Ų150137.5 Ų137.580%0.80279%0.789SS**  trans-154.5128.3144.5-15454.4000112.9
32S32.5Very low37.6Very low97 Ų97140.9 Ų140.968%0.67879%0.787SS**  trans44.2115.7148.2-42.30000123.2
33S34.2Very low38.3Very low112 Ų112141.7 Ų141.778%0.78379%0.792SS**  trans-61.3179.1159.5-164.60000113.8
34P43.1Very low38.1Very low107 Ų107139.3 Ų139.370%0.69578%0.781SS**  cis-129.2156.1-17.921.9-0.2000113.6
35R34.2Very low38.7Very low242 Ų242140.4 Ų140.491%0.91378%0.781SS**  trans-172.896.8138.1-108.9170-178.1166.71.9111.2E37R35-E37 PolarHBondContact O-N 3.41Å
36A35.7Very low38.9Very low92 Ų92141.1 Ų141.176%0.7679%0.787SS**  trans-72110.8157.400000107.8L38A36-L38 PolarHBondContact O-N 3.34Å
37E33.9Very low38Very low191 Ų191140.3 Ų140.389%0.89378%0.784SS**  trans-74.6110164.8-84.3-175.3131.600108.6R35R35-E37 PolarHBondContact O-N 3.41Å
38L46.1Very low38.6Very low153 Ų153139.6 Ų139.680%0.80178%0.779SS**PPolyproline II helixtrans-72.9148.4165.4-78.7101.9000110.3A36A36-L38 PolarHBondContact O-N 3.34Å
39P42.8Very low39.2Very low109 Ų109137.1 Ų137.171%0.70878%0.78SS**PPolyproline II helixtrans-62.9154.1168.827.1-33.4000111.8
40P41.6Very low39.4Very low119 Ų119133.2 Ų133.277%0.77377%0.774SS**PPolyproline II helixtrans-59.5144.2-16922.5-33.3000113.1Y42P40-Y42 PolarHBondContact O-N 3.34Å
41P39Very low40.2Very low114 Ų114129.2 Ų129.274%0.7478%0.779SS**PPolyproline II helixtrans-70.1124.4-171.327.3-32.8000111.7T43P41-T43 PolarHBondContact O-N 3.18Å; P41-T43 VanDerWaalsContact O-N 3.13Å
42Y41.1Very low41.2Very low217 Ų217125 Ų12585%0.85177%0.77SS**  trans-69.193.6160.6-167.9-96.5000108.2P40 A44P40-Y42 PolarHBondContact O-N 3.34Å; Y42-A44 HydrophobicContact CD1-CB 3.89Å; Y42-A44 HydrophobicContact CE1-CB 3.67Å; Y42-A44 PolarHBondContact O-N 3.13Å
43T47.8Very low42.5Very low134 Ų134123.1 Ų123.182%0.82276%0.755SS**  trans-82.691170.341.50000109.8P41P41-T43 PolarHBondContact O-N 3.18Å; P41-T43 VanDerWaalsContact O-N 3.13Å
44A43.2Very low44.2Very low58 Ų58120.3 Ų120.348%0.47973%0.734SS.*  trans-92.6135.315900000109.5Y42Y42-A44 HydrophobicContact CD1-CB 3.89Å; Y42-A44 HydrophobicContact CE1-CB 3.67Å; Y42-A44 PolarHBondContact O-N 3.13Å
45I43.4Very low45.8Very low158 Ų158119.4 Ų119.481%0.8173%0.726SS**  trans73.9107.9160.5-45.8169.4000115.7
46A36.9Very low48Very low102 Ų102109.8 Ų109.884%0.84369%0.693SS**PPolyproline II helixtrans-82.1117.4154.300000108.9
47S34.9Very low50.2Low103 Ų103109.1 Ų109.172%0.7268%0.683SS**PPolyproline II helixtrans-57.5156.3159.3-76.30000111.6
48P53.1Low52.4Low108 Ų108100.1 Ų100.170%0.70164%0.64SS**SBendtrans-69.7167.917235-34.9000109.5
49D44.5Very low53.9Low162 Ų162102.4 Ų102.487%0.86664%0.638SS**  trans91.658.2177-47.8-32.8000116.7
50A37.8Very low55.7Low96 Ų96100 Ų10079%0.79362%0.621SS**SBendtrans-164.1145.213400000107.4G52A50-G52 PolarHBondContact O-N 3.38Å
51G48.8Very low57.5Low90 Ų9096.6 Ų96.693%0.92860%0.6SS**  trans-66.248.8-179.400000114.9V53G51-V53 PolarHBondContact O-N 2.69Å
52G51.2Low59.6Low60 Ų6098.8 Ų98.862%0.61960%0.601SS**  trans-74.3113.4172.500000109.2A50 P54A50-G52 PolarHBondContact O-N 3.38Å; G52-P54 WeakPolarHBondContact O-CD 3.27Å
53V60Low61.5Low58 Ų5889.8 Ų89.835%0.35257%0.569SS.*  trans-51.9123.3171.1179.60000107.9G51 V55 N66 D68G51-V53 PolarHBondContact O-N 2.69Å; V53-V55 PolarHBondContact O-N 3.27Å; V53-N66 HydrophobicContact CG1-CB 4.26Å; V53-D68 HydrophobicContact CG1-CB 3.87Å
54P69.3Low63Low53 Ų5389.3 Ų89.334%0.34456%0.561SS.*  trans-63.6129.2-179.416.3-20.8000109.2G52 L67 L71G52-P54 WeakPolarHBondContact O-CD 3.27Å; P54-L67 HydrophobicContact CB-CB 4.31Å; P54-L67 HydrophobicContact CB-CD1 4.09Å; P54-L67 HydrophobicContact CG-CB 4.08Å; P54-L67 WeakPolarHBondContact O-CA 3.27Å; P54-L67 WeakPolarHBondContact O-CB 3.46Å; P54-L67 VanDerWaalsContact O-CG 3.27Å; P54-L67 WeakPolarHBondContact O-CG 3.46Å; P54-L67 PolarHBondContact O-N 2.99Å; P54-L71 HydrophobicContact CB-CD2 4.2Å; P54-L71 HydrophobicContact CG-CD1 3.67Å; P54-L71 HydrophobicContact CG-CD2 3.54Å; P54-L71 HydrophobicContact CG-CG 3.83Å
55V75.8Confident64.9Low89 Ų8987.2 Ų87.254%0.53954%0.541SS..EExtended strand (participates in β ladder)trans-115.7140.2-179.2-68.10000110.4V53 I64 I65 N66V53-V55 PolarHBondContact O-N 3.27Å; V55-I64 HydrophobicContact CB-CG2 3.87Å; V55-I64 HydrophobicContact CG1-CG2 4.03Å; V55-I65 WeakPolarHBondContact CA-O 3.08Å; V55-N66 VanDerWaalsContact CG1-OD1 3.27Å; V55-N66 WeakPolarHBondContact CG1-OD1 3.5Å
56I81.8Confident66.7Low40 Ų4084.8 Ų84.821%0.20553%0.53CS..EExtended strand (participates in β ladder)trans-127.6135.7175.2-169.7168.8000110.2I65 L67 V76 T85 P86 I87I56-I65 HydrophobicContact CG2-CB 3.96Å; I56-I65 HydrophobicContact CG2-CD1 4.47Å; I56-I65 HydrophobicContact CG2-CG2 4.49Å; I56-I65 PolarHBondContact N-O 2.88Å; I56-I65 WeakPolarHBondContact O-CB 3.08Å; I56-I65 PolarHBondContact O-N 2.82Å; I56-L67 HydrophobicContact CB-CD1 4.17Å; I56-L67 HydrophobicContact CG2-CD1 4.07Å; I56-L67 HydrophobicContact CG2-CD2 3.67Å; I56-L67 HydrophobicContact CG2-CG 4Å; I56-V76 HydrophobicContact CG2-CG2 4.5Å; I56-T85 HydrophobicContact CD1-CG2 3.94Å; I56-T85 HydrophobicContact CG1-CG2 4.44Å; I56-P86 WeakPolarHBondContact CD1-O 3.39Å; I56-I87 HydrophobicContact CD1-CG1 4.41Å
57S81.9Confident68.5Low78 Ų7880.3 Ų80.355%0.54549%0.491SS..EExtended strand (participates in β ladder)trans-81.6132.5174.857.80000111R59S57-R59 PolarHBondContact O-N 3.49Å
58C79Confident70.2Confident1 Ų180.8 Ų80.81%0.00749%0.486CS..  trans-64.2129.9174.4-174.80000111.3V60 C61 Q62 S63 I65 C78 C81C58-V60 PolarHBondContact O-N 3.2Å; C58-V60 VanDerWaalsContact O-N 3.17Å; C58-V60 PolarHBondContact SG-N 3.39Å; C58-C61 VanDerWaalsContact SG-SG 3.67Å; C58-Q62 WeakPolarHBondContact O-CA 3.44Å; C58-Q62 PolarHBondContact O-N 3.43Å; C58-S63 PolarHBondContact N-O 3.17Å; C58-I65 HydrophobicContact CB-CD1 4Å; C58-C78 HydrophobicContact CB-CB 4.22Å; C58-C81 PolarHBondContact SG-SG 3.45Å
59R78.6Confident70.7Confident201 Ų20179.2 Ų79.276%0.75849%0.489SS*.THydrogen-bonded Turntrans-66.9-17.2178.1-166.8172.1-178.8-179.72.4114.3S57S57-R59 PolarHBondContact O-N 3.49Å
60V79.6Confident71.8Confident58 Ų5876.8 Ų76.835%0.35247%0.471SS..THydrogen-bonded Turntrans-93-53.6-177.1-178.50000111.6C58 E83 R98 N102C58-V60 PolarHBondContact O-N 3.2Å; C58-V60 VanDerWaalsContact O-N 3.17Å; C58-V60 PolarHBondContact SG-N 3.39Å; V60-E83 HydrophobicContact CG2-CB 4.03Å; V60-E83 HydrophobicContact CG2-CG 3.92Å; V60-R98 VanDerWaalsContact CG2-NH2 3.31Å; V60-N102 HydrophobicContact CG2-CB 4.31Å
61C79.6Confident73.1Confident49 Ų4976.3 Ų76.333%0.33145%0.454SS..THydrogen-bonded Turntrans-111.93-174.457.20000113.7C58 S63 C81C58-C61 VanDerWaalsContact SG-SG 3.67Å; C61-S63 PolarHBondContact O-N 3.19Å; C61-S63 PolarHBondContact SG-OG 2.87Å; C61-C81 HydrophobicContact CB-CB 4.21Å; C61-C81 PolarHBondContact SG-SG 2.84Å
62Q82.6Confident73.8Confident160 Ų16080 Ų8075%0.74845%0.447SS*.  trans58.93179.7-61.1173.718.100115.6C58C58-Q62 WeakPolarHBondContact O-CA 3.44Å; C58-Q62 PolarHBondContact O-N 3.43Å
63S81.6Confident74.8Confident28 Ų2882.3 Ų82.320%0.19644%0.442CS..  trans-62.2142.8175.4650000111.8C58 C61 C78C58-S63 PolarHBondContact N-O 3.17Å; C61-S63 PolarHBondContact O-N 3.19Å; C61-S63 PolarHBondContact SG-OG 2.87Å; S63-C78 PolarHBondContact OG-SG 3.3Å
64I80.1Confident75.5Confident124 Ų12483.1 Ų83.164%0.63644%0.442SS*.EExtended strand (participates in β ladder)trans-74129.6177.9-55.4169.7000109.5V55V55-I64 HydrophobicContact CB-CG2 3.87Å; V55-I64 HydrophobicContact CG1-CG2 4.03Å
65I81.9Confident76Confident14 Ų1481.9 Ų81.97%0.07243%0.433CS..EExtended strand (participates in β ladder)trans-114.3116.2176.7-54.3167.2000107.9V55 I56 C58 V76 C78V55-I65 WeakPolarHBondContact CA-O 3.08Å; I56-I65 HydrophobicContact CG2-CB 3.96Å; I56-I65 HydrophobicContact CG2-CD1 4.47Å; I56-I65 HydrophobicContact CG2-CG2 4.49Å; I56-I65 PolarHBondContact N-O 2.88Å; I56-I65 WeakPolarHBondContact O-CB 3.08Å; I56-I65 PolarHBondContact O-N 2.82Å; C58-I65 HydrophobicContact CB-CD1 4Å; I65-V76 HydrophobicContact CG2-CG2 4.39Å; I65-C78 HydrophobicContact CD1-CB 3.81Å
66N80.8Confident76.4Confident106 Ų10677.9 Ų77.957%0.56741%0.409SS*.EExtended strand (participates in β ladder)trans-72.5127.4172.2-61.5-54.6000109.8V53 V55 D68V53-N66 HydrophobicContact CG1-CB 4.26Å; V55-N66 VanDerWaalsContact CG1-OD1 3.27Å; V55-N66 WeakPolarHBondContact CG1-OD1 3.5Å; N66-D68 VanDerWaalsContact C-N 3.28Å; N66-D68 PolarHBondContact O-N 2.9Å
67L75.6Confident76.5Confident8 Ų883.5 Ų83.54%0.04243%0.432CS..  trans-91.517.1-177.7-60174.9000113.6P54 I56 G69 K70 L71 V76 I87P54-L67 HydrophobicContact CB-CB 4.31Å; P54-L67 HydrophobicContact CB-CD1 4.09Å; P54-L67 HydrophobicContact CG-CB 4.08Å; P54-L67 WeakPolarHBondContact O-CA 3.27Å; P54-L67 WeakPolarHBondContact O-CB 3.46Å; P54-L67 VanDerWaalsContact O-CG 3.27Å; P54-L67 WeakPolarHBondContact O-CG 3.46Å; P54-L67 PolarHBondContact O-N 2.99Å; I56-L67 HydrophobicContact CB-CD1 4.17Å; I56-L67 HydrophobicContact CG2-CD1 4.07Å; I56-L67 HydrophobicContact CG2-CD2 3.67Å; I56-L67 HydrophobicContact CG2-CG 4Å; L67-G69 PolarHBondContact O-N 3.46Å; L67-K70 PolarHBondContact O-N 2.95Å; L67-L71 HydrophobicContact CB-CD2 4.37Å; L67-L71 HydrophobicContact CD1-CD2 4.46Å; L67-V76 HydrophobicContact CD2-CG1 4.29Å; L67-V76 HydrophobicContact CD2-CG2 4.03Å; L67-I87 HydrophobicContact CD1-CG2 3.82Å; L67-I87 HydrophobicContact CD2-CD1 3.46Å; L67-I87 VanDerWaalsContact CD2-CD1 3.46Å; L67-I87 HydrophobicContact CD2-CG1 3.88Å
68D69.9Low76.6Confident114 Ų11479.9 Ų79.961%0.6141%0.406SS*.THydrogen-bonded Turntrans-51122.4-179.5-151.7-54.8000111.2V53 N66 K70V53-D68 HydrophobicContact CG1-CB 3.87Å; N66-D68 VanDerWaalsContact C-N 3.28Å; N66-D68 PolarHBondContact O-N 2.9Å; D68-K70 PolarHBondContact O-N 3.22Å
69G64.9Low76.8Confident74 Ų7485.1 Ų85.176%0.76344%0.439SS*.THydrogen-bonded Turntrans64.6-2-176.800000117.2L67L67-G69 PolarHBondContact O-N 3.46Å
70K67.9Low77.1Confident112 Ų11280.2 Ų80.249%0.48743%0.431SS..THydrogen-bonded Turntrans-108.84.5-173.8-68.9177.9-176.6168.20114.5L67 D68 H72 Q73 V76L67-K70 PolarHBondContact O-N 2.95Å; D68-K70 PolarHBondContact O-N 3.22Å; K70-H72 PolarHBondContact O-N 2.99Å; K70-H72 VanDerWaalsContact O-N 3.14Å; K70-Q73 WeakPolarHBondContact O-CB 3.47Å; K70-Q73 PolarHBondContact O-N 2.73Å; K70-V76 HydrophobicContact CB-CG1 3.98Å; K70-V76 HydrophobicContact CD-CG1 4.03Å
71L64Low77.1Confident85 Ų8579.4 Ų79.445%0.44543%0.427SS..THydrogen-bonded Turntrans-57.6-25176.2-75.6170.9000114.1P54 L67 Q73 K88P54-L71 HydrophobicContact CB-CD2 4.2Å; P54-L71 HydrophobicContact CG-CD1 3.67Å; P54-L71 HydrophobicContact CG-CD2 3.54Å; P54-L71 HydrophobicContact CG-CG 3.83Å; L67-L71 HydrophobicContact CB-CD2 4.37Å; L67-L71 HydrophobicContact CD1-CD2 4.46Å; L71-Q73 VanDerWaalsContact C-N 3.26Å; L71-Q73 PolarHBondContact O-N 3.04Å; L71-K88 WeakPolarHBondContact O-CE 3.08Å; L71-K88 PolarHBondContact O-NZ 2.96Å
72H62.7Low77.2Confident168 Ų16883 Ų8378%0.77844%0.443SS*.THydrogen-bonded Turntrans-74.7-17.5176.6-156.6-79.6000112.7K70K70-H72 PolarHBondContact O-N 2.99Å; K70-H72 VanDerWaalsContact O-N 3.14Å
73Q73.4Confident77.3Confident109 Ų10976.4 Ų76.451%0.50941%0.412SS..  trans-87.4141.7-179.8-156.2172.319.900111.1K70 L71 V75K70-Q73 WeakPolarHBondContact O-CB 3.47Å; K70-Q73 PolarHBondContact O-N 2.73Å; L71-Q73 VanDerWaalsContact C-N 3.26Å; L71-Q73 PolarHBondContact O-N 3.04Å; Q73-V75 VanDerWaalsContact C-N 3.34Å; Q73-V75 VanDerWaalsContact CG-O 3.26Å; Q73-V75 WeakPolarHBondContact CG-O 3.44Å; Q73-V75 PolarHBondContact OE1-O 3.18Å
74H74.6Confident77.4Confident74 Ų7475.9 Ų75.934%0.34341%0.41SS..SBendtrans-79-20.5179.4-67.761.7000113I87 K88 N89 Y96H74-I87 PolarHBondContact O-N 2.99Å; H74-K88 HydrophobicContact CB-CB 4.41Å; H74-K88 PolarHBondContact O-N 3.33Å; H74-N89 PolarHBondContact CD2-O 3.14Å; H74-Y96 WeakPolarHBondContact CB-OH 3.48Å
75V78.9Confident77.4Confident28 Ų2870.3 Ų70.317%0.1738%0.382CS..EExtended strand (participates in β ladder)trans-141133.4-175.2-178.30000109.1Q73 A84 Y96 L104 I106Q73-V75 VanDerWaalsContact C-N 3.34Å; Q73-V75 VanDerWaalsContact CG-O 3.26Å; Q73-V75 WeakPolarHBondContact CG-O 3.44Å; Q73-V75 PolarHBondContact OE1-O 3.18Å; V75-A84 HydrophobicContact CG1-CB 3.68Å; V75-Y96 HydrophobicContact CG2-CE1 3.64Å; V75-L104 HydrophobicContact CG1-CD2 3.81Å; V75-L104 HydrophobicContact CG2-CD2 4.29Å; V75-I106 HydrophobicContact CG2-CD1 4.49Å
76V84.8Confident77.3Confident5 Ų572 Ų723%0.0339%0.394CS..EExtended strand (participates in β ladder)trans-115.3153.9168.5-77.40000111.3I56 I65 L67 K70 A84 T85 I87I56-V76 HydrophobicContact CG2-CG2 4.5Å; I65-V76 HydrophobicContact CG2-CG2 4.39Å; L67-V76 HydrophobicContact CD2-CG1 4.29Å; L67-V76 HydrophobicContact CD2-CG2 4.03Å; K70-V76 HydrophobicContact CB-CG1 3.98Å; K70-V76 HydrophobicContact CD-CG1 4.03Å; V76-A84 CarbonylContact O-C 3.49Å; V76-A84 WeakPolarHBondContact O-CA 3.31Å; V76-T85 PolarHBondContact N-O 2.93Å; V76-T85 PolarHBondContact O-N 3.42Å; V76-I87 HydrophobicContact CB-CD1 3.7Å; V76-I87 HydrophobicContact CB-CG1 4.47Å; V76-I87 HydrophobicContact CG1-CD1 3.2Å; V76-I87 HydrophobicContact CG1-CG1 4.41Å; V76-I87 HydrophobicContact CG2-CD1 3.39Å; V76-I87 HydrophobicContact CG2-CG1 3.67Å
77K84.8Confident77.2Confident158 Ų15869 Ų6969%0.68738%0.377SS*.EExtended strand (participates in β ladder)trans-93.1135.7170.8-62.7179.7-176.9176.10109.1
78C83.2Confident77.1Confident1 Ų172.8 Ų72.81%0.00739%0.393CS..  trans-66.1135.2170.2-179.40000110C58 S63 I65 V80 C81 N82 E83C58-C78 HydrophobicContact CB-CB 4.22Å; S63-C78 PolarHBondContact OG-SG 3.3Å; I65-C78 HydrophobicContact CD1-CB 3.81Å; C78-V80 VanDerWaalsContact C-N 3.31Å; C78-V80 PolarHBondContact SG-N 3.46Å; C78-V80 VanDerWaalsContact SG-N 3.39Å; C78-C81 VanDerWaalsContact CB-SG 3.53Å; C78-N82 WeakPolarHBondContact O-CA 3.42Å; C78-N82 PolarHBondContact O-N 2.78Å; C78-E83 WeakPolarHBondContact CB-O 3Å; C78-E83 PolarHBondContact N-O 2.72Å
79T84.2Confident77.3Confident112 Ų11274.3 Ų74.369%0.68740%0.401SS*.THydrogen-bonded Turntrans-73.8-23.1176.749.50000113.1
80V83.8Confident77.8Confident98 Ų9873 Ų7359%0.59438%0.379SS*.THydrogen-bonded Turntrans-85.8-53.6-177.5-177.60000111.2C78C78-V80 VanDerWaalsContact C-N 3.31Å; C78-V80 PolarHBondContact SG-N 3.46Å; C78-V80 VanDerWaalsContact SG-N 3.39Å
81C80.4Confident78.4Confident40 Ų4069.9 Ų69.927%0.2737%0.371SS..THydrogen-bonded Turntrans-1040.5-176.268.50000114.4C58 C61 C78 E83C58-C81 PolarHBondContact SG-SG 3.45Å; C61-C81 HydrophobicContact CB-CB 4.21Å; C61-C81 PolarHBondContact SG-SG 2.84Å; C78-C81 VanDerWaalsContact CB-SG 3.53Å; C81-E83 PolarHBondContact O-N 3.39Å
82N82Confident79Confident124 Ų12473.1 Ų73.166%0.66339%0.394SS*.  trans57.29.3-177-68.7-47.8000115.7C78C78-N82 WeakPolarHBondContact O-CA 3.42Å; C78-N82 PolarHBondContact O-N 2.78Å
83E84.7Confident79.7Confident22 Ų2266.7 Ų66.710%0.10337%0.373CS..  trans-87.7142.9-179-158.859.4-122.300111.5V60 C78 C81 R98 N102 C103 R118V60-E83 HydrophobicContact CG2-CB 4.03Å; V60-E83 HydrophobicContact CG2-CG 3.92Å; C78-E83 WeakPolarHBondContact CB-O 3Å; C78-E83 PolarHBondContact N-O 2.72Å; C81-E83 PolarHBondContact O-N 3.39Å; E83-R98 VanDerWaalsContact CG-NH2 3.33Å; E83-N102 HydrophobicContact CG-CB 4.19Å; E83-N102 WeakPolarHBondContact CG-O 3.39Å; E83-C103 VanDerWaalsContact OE1-CA 3.31Å; E83-C103 WeakPolarHBondContact OE1-CA 3.4Å; E83-R118 IonicContact OE2-NH2 3.07Å; E83-R118 PolarHBondContact OE2-NH2 2.91Å
84A83.5Confident80.1Confident18 Ų1866.9 Ų66.915%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-77.2136.2-178.300000111.8V75 V76 R98 L104V75-A84 HydrophobicContact CG1-CB 3.68Å; V76-A84 CarbonylContact O-C 3.49Å; V76-A84 WeakPolarHBondContact O-CA 3.31Å; A84-R98 PolarHBondContact O-NH2 3.41Å; A84-L104 HydrophobicContact CB-CB 3.93Å; A84-L104 HydrophobicContact CB-CD2 3.99Å
85T79.9Confident80.6Confident7 Ų765.8 Ų65.84%0.04337%0.366CS..EExtended strand (participates in β ladder)trans-124.7127.3178.1-52.60000108.7I56 V76I56-T85 HydrophobicContact CD1-CG2 3.94Å; I56-T85 HydrophobicContact CG1-CG2 4.44Å; V76-T85 PolarHBondContact N-O 2.93Å; V76-T85 PolarHBondContact O-N 3.42Å
86P79.8Confident80.9Confident50 Ų5066.8 Ų66.833%0.32537%0.368SS..EExtended strand (participates in β ladder)trans-71.9137.8176.630.8-32.6000110.1I56 Y96 L104I56-P86 WeakPolarHBondContact CD1-O 3.39Å; P86-Y96 HydrophobicContact CB-CD2 3.98Å; P86-Y96 HydrophobicContact CB-CE2 3.96Å; P86-Y96 HydrophobicContact CB-CG 4.39Å; P86-L104 HydrophobicContact CB-CD2 4.39Å; P86-L104 HydrophobicContact CG-CD2 4.48Å
87I77.9Confident80.9Confident41 Ų4167.3 Ų67.321%0.2137%0.371CS..  trans-109.1-33.3176.1-57.9157.3000110.9I56 L67 H74 V76I56-I87 HydrophobicContact CD1-CG1 4.41Å; L67-I87 HydrophobicContact CD1-CG2 3.82Å; L67-I87 HydrophobicContact CD2-CD1 3.46Å; L67-I87 VanDerWaalsContact CD2-CD1 3.46Å; L67-I87 HydrophobicContact CD2-CG1 3.88Å; H74-I87 PolarHBondContact O-N 2.99Å; V76-I87 HydrophobicContact CB-CD1 3.7Å; V76-I87 HydrophobicContact CB-CG1 4.47Å; V76-I87 HydrophobicContact CG1-CD1 3.2Å; V76-I87 HydrophobicContact CG1-CG1 4.41Å; V76-I87 HydrophobicContact CG2-CD1 3.39Å; V76-I87 HydrophobicContact CG2-CG1 3.67Å
88K74.9Confident80.9Confident89 Ų8962.6 Ų62.639%0.38735%0.349SS..SBendtrans-116.9160178.7-71178.4164.1174.30110.1L71 H74 Y96L71-K88 WeakPolarHBondContact O-CE 3.08Å; L71-K88 PolarHBondContact O-NZ 2.96Å; H74-K88 HydrophobicContact CB-CB 4.41Å; H74-K88 PolarHBondContact O-N 3.33Å; K88-Y96 WeakPolarHBondContact O-CE2 3.26Å
89N73.2Confident80.9Confident145 Ų14562.7 Ų62.778%0.77535%0.349SS*.PPolyproline II helixtrans-55.8147.5168.5-70.2-8.7000109.8H74H74-N89 PolarHBondContact CD2-O 3.14Å
90P76.2Confident80.8Confident46 Ų4661.5 Ų61.530%0.29934%0.343SS..PPolyproline II helixtrans-60.3147.9178.727.1-33.9000109.6K94 Y96P90-K94 HydrophobicContact CB-CB 4.46Å; P90-K94 VanDerWaalsContact CB-O 3.25Å; P90-K94 WeakPolarHBondContact CB-O 3.42Å; P90-K94 WeakPolarHBondContact CG-O 3.37Å; P90-Y96 VanDerWaalsContact CA-CE2 3.45Å; P90-Y96 HydrophobicContact CB-CD2 3.79Å; P90-Y96 HydrophobicContact CB-CE2 3.58Å; P90-Y96 HydrophobicContact CB-CG 4.45Å; P90-Y96 HydrophobicContact CG-CD2 4.08Å; P90-Y96 HydrophobicContact CG-CE2 4.18Å
91P79.7Confident80.7Confident48 Ų4858.2 Ų58.231%0.31232%0.324SS..PPolyproline II helixtrans-60.7153.3174.627.3-35.1000110.5G93 K94P91-G93 PolarHBondContact O-N 2.71Å; P91-K94 HydrophobicContact CG-CB 4.34Å; P91-K94 HydrophobicContact CG-CD 4.01Å; P91-K94 HydrophobicContact CG-CG 4.39Å; P91-K94 WeakPolarHBondContact O-CB 3.21Å; P91-K94 PolarHBondContact O-N 3.46Å
92T76.8Confident80.8Confident152 Ų15259.6 Ų59.693%0.93333%0.329SS*.THydrogen-bonded Turntrans-47.8130.9-172.8-42.30000112.6K94T92-K94 VanDerWaalsContact C-N 3.32Å; T92-K94 PolarHBondContact O-N 2.9Å
93G77Confident81Confident33 Ų3354.5 Ų54.534%0.3430%0.303SS..THydrogen-bonded Turntrans77.68.3-178.600000115.3P91 D109P91-G93 PolarHBondContact O-N 2.71Å; G93-D109 PolarHBondContact O-N 2.86Å
94K82.5Confident81Confident113 Ų11354.8 Ų54.849%0.49131%0.305SS..EExtended strand (participates in β ladder)trans-121.2157.2174.4-55.9-168.9-167.4171.50111.2P90 P91 T92 I106 C107P90-K94 HydrophobicContact CB-CB 4.46Å; P90-K94 VanDerWaalsContact CB-O 3.25Å; P90-K94 WeakPolarHBondContact CB-O 3.42Å; P90-K94 WeakPolarHBondContact CG-O 3.37Å; P91-K94 HydrophobicContact CG-CB 4.34Å; P91-K94 HydrophobicContact CG-CD 4.01Å; P91-K94 HydrophobicContact CG-CG 4.39Å; P91-K94 WeakPolarHBondContact O-CB 3.21Å; P91-K94 PolarHBondContact O-N 3.46Å; T92-K94 VanDerWaalsContact C-N 3.32Å; T92-K94 PolarHBondContact O-N 2.9Å; K94-I106 HydrophobicContact CB-CG2 3.91Å; K94-I106 HydrophobicContact CD-CG2 3.74Å; K94-I106 HydrophobicContact CG-CG2 4.4Å; K94-C107 CarbonylContact C-O 3.56Å; K94-C107 WeakPolarHBondContact CA-O 3.44Å; K94-C107 WeakPolarHBondContact CB-O 3.47Å
95K84Confident81.1Confident51 Ų5154.8 Ų54.822%0.22230%0.303CS..EExtended strand (participates in β ladder)trans-132.6146.9174.561.2-176.3170.9-171.10110.7V97 C107 K108 D109 S111 L127K95-V97 HydrophobicContact CD-CG2 4.44Å; K95-V97 HydrophobicContact CG-CG2 4.1Å; K95-C107 PolarHBondContact N-O 3.02Å; K95-C107 PolarHBondContact O-N 2.94Å; K95-K108 VanDerWaalsContact CE-O 3.28Å; K95-K108 WeakPolarHBondContact CE-O 3.34Å; K95-D109 WeakPolarHBondContact CE-O 3.37Å; K95-D109 PolarHBondContact NZ-O 2.92Å; K95-S111 PolarHBondContact NZ-O 3.29Å; K95-L127 HydrophobicContact CD-CD2 4.05Å
96Y84.8Confident81.4Confident49 Ų4958.8 Ų58.819%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-83.3131.3169.4-68.8-62000110H74 V75 P86 K88 P90 L104 L105 I106H74-Y96 WeakPolarHBondContact CB-OH 3.48Å; V75-Y96 HydrophobicContact CG2-CE1 3.64Å; P86-Y96 HydrophobicContact CB-CD2 3.98Å; P86-Y96 HydrophobicContact CB-CE2 3.96Å; P86-Y96 HydrophobicContact CB-CG 4.39Å; K88-Y96 WeakPolarHBondContact O-CE2 3.26Å; P90-Y96 VanDerWaalsContact CA-CE2 3.45Å; P90-Y96 HydrophobicContact CB-CD2 3.79Å; P90-Y96 HydrophobicContact CB-CE2 3.58Å; P90-Y96 HydrophobicContact CB-CG 4.45Å; P90-Y96 HydrophobicContact CG-CD2 4.08Å; P90-Y96 HydrophobicContact CG-CE2 4.18Å; Y96-L104 HydrophobicContact CD1-CD1 4.31Å; Y96-L104 HydrophobicContact CD1-CD2 4.31Å; Y96-L104 HydrophobicContact CD1-CG 4.29Å; Y96-L104 HydrophobicContact CG-CD1 4.49Å; Y96-L105 WeakPolarHBondContact CA-O 3.25Å; Y96-I106 HydrophobicContact CD1-CD1 4.46Å; Y96-I106 HydrophobicContact CD1-CG1 3.86Å; Y96-I106 HydrophobicContact CE1-CD1 3.69Å; Y96-I106 HydrophobicContact CE1-CG1 3.58Å
97V85.3Confident81.7Confident16 Ų1656.8 Ų56.810%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-127.7127.2177.4-174.40000107.3K95 L105 C107 I125 L127K95-V97 HydrophobicContact CD-CG2 4.44Å; K95-V97 HydrophobicContact CG-CG2 4.1Å; V97-L105 PolarHBondContact N-O 3Å; V97-L105 PolarHBondContact O-N 2.85Å; V97-C107 HydrophobicContact CG2-CB 4.3Å; V97-I125 HydrophobicContact CG1-CD1 4.33Å; V97-I125 HydrophobicContact CG1-CG2 4.45Å; V97-L127 HydrophobicContact CB-CD2 4.38Å; V97-L127 HydrophobicContact CG1-CD1 4.36Å; V97-L127 HydrophobicContact CG1-CD2 4.07Å; V97-L127 HydrophobicContact CG2-CD2 3.39Å
98R84.9Confident81.9Confident59 Ų5960.8 Ų60.822%0.22333%0.326CS..EExtended strand (participates in β ladder)trans-98.2123.5175.6-154.8168.3-136.5-103.9-3.5109.3V60 E83 A84 N102V60-R98 VanDerWaalsContact CG2-NH2 3.31Å; E83-R98 VanDerWaalsContact CG-NH2 3.33Å; A84-R98 PolarHBondContact O-NH2 3.41Å; R98-N102 VanDerWaalsContact CZ-O 3.22Å; R98-N102 PolarHBondContact NH1-O 3.26Å; R98-N102 PolarHBondContact NH1-OD1 3.44Å; R98-N102 PolarHBondContact NH2-O 3.37Å
99C83.9Confident82.1Confident3 Ų360.4 Ų60.42%0.0233%0.328CS..  trans-71151.3171.9-1700000109.8C101 N102 C103 C116 I125C99-C101 PolarHBondContact O-N 3.25Å; C99-C101 PolarHBondContact SG-SG 3.07Å; C99-N102 WeakPolarHBondContact O-CA 3.43Å; C99-N102 PolarHBondContact O-N 2.98Å; C99-C103 HydrophobicContact CB-CB 4.12Å; C99-C103 PolarHBondContact N-O 3.48Å; C99-C116 HydrophobicContact CB-CB 4.46Å; C99-I125 HydrophobicContact CB-CD1 3.88Å
100P82.6Confident82.2Confident87 Ų8757.9 Ų57.957%0.56532%0.318SS*.THydrogen-bonded Turntrans-56.4-20.5171.8-28.635.8000114.6N102P100-N102 PolarHBondContact O-N 3.02Å
101C80.6Confident82.2Confident29 Ų2957.5 Ų57.520%0.19632%0.316CS..THydrogen-bonded Turntrans-81.415.4171.770.70000113.7C99 C103 C116 C121C99-C101 PolarHBondContact O-N 3.25Å; C99-C101 PolarHBondContact SG-SG 3.07Å; C101-C103 PolarHBondContact O-N 3.38Å; C101-C103 VanDerWaalsContact SG-CB 3.58Å; C101-C116 PolarHBondContact SG-SG 2.95Å; C101-C121 HydrophobicContact CB-CB 3.99Å; C101-C121 VanDerWaalsContact CB-SG 3.59Å
102N82.6Confident82.1Confident69 Ų6964 Ų6437%0.36934%0.335SS..SBendtrans68.9-4.6-176.4-66.7-45.5000117V60 E83 R98 C99 P100 L104V60-N102 HydrophobicContact CG2-CB 4.31Å; E83-N102 HydrophobicContact CG-CB 4.19Å; E83-N102 WeakPolarHBondContact CG-O 3.39Å; R98-N102 VanDerWaalsContact CZ-O 3.22Å; R98-N102 PolarHBondContact NH1-O 3.26Å; R98-N102 PolarHBondContact NH1-OD1 3.44Å; R98-N102 PolarHBondContact NH2-O 3.37Å; C99-N102 WeakPolarHBondContact O-CA 3.43Å; C99-N102 PolarHBondContact O-N 2.98Å; P100-N102 PolarHBondContact O-N 3.02Å; N102-L104 PolarHBondContact O-N 3.17Å
103C85.3Confident82.4Confident18 Ų1864.7 Ų64.712%0.12232%0.32CS..  trans-61.8119.4176.5-173.20000112E83 C99 C101E83-C103 VanDerWaalsContact OE1-CA 3.31Å; E83-C103 WeakPolarHBondContact OE1-CA 3.4Å; C99-C103 HydrophobicContact CB-CB 4.12Å; C99-C103 PolarHBondContact N-O 3.48Å; C101-C103 PolarHBondContact O-N 3.38Å; C101-C103 VanDerWaalsContact SG-CB 3.58Å
104L85.5Confident82.9Confident27 Ų2765.2 Ų65.214%0.14132%0.315CS..EExtended strand (participates in β ladder)trans-80.6123.4172.9-172.569.8000110.5V75 A84 P86 Y96 N102V75-L104 HydrophobicContact CG1-CD2 3.81Å; V75-L104 HydrophobicContact CG2-CD2 4.29Å; A84-L104 HydrophobicContact CB-CB 3.93Å; A84-L104 HydrophobicContact CB-CD2 3.99Å; P86-L104 HydrophobicContact CB-CD2 4.39Å; P86-L104 HydrophobicContact CG-CD2 4.48Å; Y96-L104 HydrophobicContact CD1-CD1 4.31Å; Y96-L104 HydrophobicContact CD1-CD2 4.31Å; Y96-L104 HydrophobicContact CD1-CG 4.29Å; Y96-L104 HydrophobicContact CG-CD1 4.49Å; N102-L104 PolarHBondContact O-N 3.17Å
105L86.2Confident83.1Confident18 Ų1861.6 Ų61.69%0.09431%0.309CS..EExtended strand (participates in β ladder)trans-118.6145.9-179.4-59.3171.2000110.3Y96 V97 I114 P117 I125Y96-L105 WeakPolarHBondContact CA-O 3.25Å; V97-L105 PolarHBondContact N-O 3Å; V97-L105 PolarHBondContact O-N 2.85Å; L105-I114 HydrophobicContact CD1-CG1 4Å; L105-P117 VanDerWaalsContact CD2-CD 3.42Å; L105-P117 HydrophobicContact CD2-CG 3.85Å; L105-I125 HydrophobicContact CD1-CD1 4.48Å
106I86.8Confident83.3Confident92 Ų9259.4 Ų59.447%0.47230%0.3SS..EExtended strand (participates in β ladder)trans-106.8119.4172.2-48-174.5000106.6V75 K94 Y96V75-I106 HydrophobicContact CG2-CD1 4.49Å; K94-I106 HydrophobicContact CB-CG2 3.91Å; K94-I106 HydrophobicContact CD-CG2 3.74Å; K94-I106 HydrophobicContact CG-CG2 4.4Å; Y96-I106 HydrophobicContact CD1-CD1 4.46Å; Y96-I106 HydrophobicContact CD1-CG1 3.86Å; Y96-I106 HydrophobicContact CE1-CD1 3.69Å; Y96-I106 HydrophobicContact CE1-CG1 3.58Å
107C85.1Confident83.4Confident7 Ų761.7 Ų61.75%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-124159-179.6-57.50000110.1K94 K95 V97 I114K94-C107 CarbonylContact C-O 3.56Å; K94-C107 WeakPolarHBondContact CA-O 3.44Å; K94-C107 WeakPolarHBondContact CB-O 3.47Å; K95-C107 PolarHBondContact N-O 3.02Å; K95-C107 PolarHBondContact O-N 2.94Å; V97-C107 HydrophobicContact CG2-CB 4.3Å; C107-I114 VanDerWaalsContact SG-CG1 3.51Å
108K82Confident83.4Confident126 Ų12665.9 Ų65.955%0.54834%0.335SS..EExtended strand (participates in β ladder)trans-64.4142.7168.4-170.9171.3178.4176.40108.5K95 T110 S111K95-K108 VanDerWaalsContact CE-O 3.28Å; K95-K108 WeakPolarHBondContact CE-O 3.34Å; K108-T110 WeakPolarHBondContact CD-OG1 3.06Å; K108-T110 WeakPolarHBondContact CE-OG1 3.43Å; K108-T110 PolarHBondContact O-N 2.94Å; K108-S111 WeakPolarHBondContact CB-OG 3.23Å; K108-S111 PolarHBondContact N-OG 2.95Å; K108-S111 VanDerWaalsContact O-CB 3.22Å; K108-S111 WeakPolarHBondContact O-CB 3.34Å; K108-S111 PolarHBondContact O-N 2.99Å; K108-S111 PolarHBondContact O-OG 3.4Å
109D78.8Confident83.2Confident80 Ų8067.2 Ų67.243%0.42835%0.352SS..THydrogen-bonded Turntrans-49.8-40.7174.154-1.1000112.7G93 K95 S111G93-D109 PolarHBondContact O-N 2.86Å; K95-D109 WeakPolarHBondContact CE-O 3.37Å; K95-D109 PolarHBondContact NZ-O 2.92Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.46Å
110T74.6Confident83Confident93 Ų9374.7 Ų74.757%0.57139%0.391SS*.THydrogen-bonded Turntrans-77-7.4177.267.90000115K108 R112K108-T110 WeakPolarHBondContact CD-OG1 3.06Å; K108-T110 WeakPolarHBondContact CE-OG1 3.43Å; K108-T110 PolarHBondContact O-N 2.94Å; T110-R112 PolarHBondContact O-N 2.92Å; T110-R112 VanDerWaalsContact O-N 3.14Å
111S76.4Confident83.1Confident37 Ų3772.1 Ų72.126%0.25938%0.376SS..  trans-64.7117179.4-65.70000110.4K95 K108 D109K95-S111 PolarHBondContact NZ-O 3.29Å; K108-S111 WeakPolarHBondContact CB-OG 3.23Å; K108-S111 PolarHBondContact N-OG 2.95Å; K108-S111 VanDerWaalsContact O-CB 3.22Å; K108-S111 WeakPolarHBondContact O-CB 3.34Å; K108-S111 PolarHBondContact O-N 2.99Å; K108-S111 PolarHBondContact O-OG 3.4Å; D109-S111 VanDerWaalsContact C-N 3.31Å; D109-S111 PolarHBondContact O-N 3.46Å
112R79.3Confident83.3Confident186 Ų18679.7 Ų79.770%0.70240%0.4SS*.SBendtrans-88.3-25.1177.7-60.9-174.9-178.2-163.9-0.6113.3T110 N126 L127T110-R112 PolarHBondContact O-N 2.92Å; T110-R112 VanDerWaalsContact O-N 3.14Å; R112-N126 CarbonylContact O-C 3.52Å; R112-N126 WeakPolarHBondContact O-CA 3.41Å; R112-L127 PolarHBondContact O-N 2.88Å
113R82.6Confident83.4Confident166 Ų16683.1 Ų83.163%0.62641%0.408SS*.EExtended strand (participates in β ladder)trans-143.3125.4-176.5-166.6175.6-168.8-122.53.9109.8I124 I125R113-I124 HydrophobicContact CG-CG2 3.26Å; R113-I125 WeakPolarHBondContact CA-O 3.36Å
114I87.2Confident83.4Confident43 Ų4386 Ų8622%0.22142%0.421CS..EExtended strand (participates in β ladder)trans-132.7133.6177.6171.968.5000109.6L105 C107 I125 L127L105-I114 HydrophobicContact CD1-CG1 4Å; C107-I114 VanDerWaalsContact SG-CG1 3.51Å; I114-I125 HydrophobicContact CG2-CB 3.94Å; I114-I125 HydrophobicContact CG2-CD1 4.45Å; I114-I125 PolarHBondContact N-O 3.18Å; I114-I125 PolarHBondContact O-N 3.06Å; I114-L127 HydrophobicContact CG2-CD1 3.35Å
115G87.3Confident83.3Confident37 Ų3786.1 Ų86.138%0.38142%0.421SS..EExtended strand (participates in β ladder)trans-90.7141.3170.400000111.6R123G115-R123 WeakPolarHBondContact CA-O 3.28Å
116C87.9Confident83Confident5 Ų590.8 Ų90.83%0.03445%0.447CS..  trans-71.4129169.2-174.20000110.3C99 C101 R118 C121 R122 R123C99-C116 HydrophobicContact CB-CB 4.46Å; C101-C116 PolarHBondContact SG-SG 2.95Å; C116-R118 PolarHBondContact O-N 3.23Å; C116-C121 HydrophobicContact CB-CB 4.34Å; C116-R122 WeakPolarHBondContact O-CA 3.38Å; C116-R123 PolarHBondContact N-O 3.48Å
117P85.6Confident82.6Confident98 Ų9887.8 Ų87.864%0.63643%0.431SS*.  trans-73.5-12.5179.830.7-35.5000113.3L105L105-P117 VanDerWaalsContact CD2-CD 3.42Å; L105-P117 HydrophobicContact CD2-CG 3.85Å
118R85.4Confident81.6Confident103 Ų10392.4 Ų92.439%0.38946%0.463SS..  trans-64.5126.6-177.4-168.6176.7-82.6-165.53.7109.4E83 C116 N120 C121 R122E83-R118 IonicContact OE2-NH2 3.07Å; E83-R118 PolarHBondContact OE2-NH2 2.91Å; C116-R118 PolarHBondContact O-N 3.23Å; R118-N120 PolarHBondContact O-N 3.38Å; R118-N120 VanDerWaalsContact O-N 3.16Å; R118-C121 HydrophobicContact CB-CB 4.08Å; R118-C121 PolarHBondContact O-N 3.01Å; R118-R122 PolarHBondContact O-N 2.63Å; R118-R122 VanDerWaalsContact O-N 3.07Å
119P81.9Confident80.2Confident87 Ų8790.4 Ų90.457%0.56546%0.463SS*.THydrogen-bonded Turntrans-59.2-32.7-17321.7-33.4000113
120N80.2Confident78.8Confident160 Ų16092.9 Ų92.986%0.85648%0.481SS*.THydrogen-bonded Turntrans-87.5-9.4179.6-61.3-30.3000114.4R118R118-N120 PolarHBondContact O-N 3.38Å; R118-N120 VanDerWaalsContact O-N 3.16Å
121C84.4Confident77.3Confident34 Ų3496.2 Ų96.223%0.2349%0.492CS..THydrogen-bonded Turntrans-105.4-54.9-179.3-172.70000111.7C101 C116 R118 R123C101-C121 HydrophobicContact CB-CB 3.99Å; C101-C121 VanDerWaalsContact CB-SG 3.59Å; C116-C121 HydrophobicContact CB-CB 4.34Å; R118-C121 HydrophobicContact CB-CB 4.08Å; R118-C121 PolarHBondContact O-N 3.01Å; C121-R123 PolarHBondContact O-N 3.38Å
122R83.6Confident75.4Confident187 Ų187100.7 Ų100.771%0.70652%0.518SS*.  trans39.220.5-177.5-68.3-177.2177.7165.81.3116C116 R118C116-R122 WeakPolarHBondContact O-CA 3.38Å; R118-R122 PolarHBondContact O-N 2.63Å; R118-R122 VanDerWaalsContact O-N 3.07Å
123R85.6Confident73.6Confident142 Ų14298.5 Ų98.554%0.53652%0.518SS..PPolyproline II helixtrans-74.3139.1-172.8178.7174.7-83.9157.2-5.6108.9G115 C116 C121G115-R123 WeakPolarHBondContact CA-O 3.28Å; C116-R123 PolarHBondContact N-O 3.48Å; C121-R123 PolarHBondContact O-N 3.38Å
124I85.9Confident71.8Confident78 Ų7896.3 Ų96.340%0.453%0.526SS..EExtended strand (participates in β ladder)trans-95.9121.5178.5-53.8174.2000108.6R113R113-I124 HydrophobicContact CG-CG2 3.26Å
125I83.1Confident69.6Low29 Ų29103.2 Ų103.215%0.14956%0.557CS.*EExtended strand (participates in β ladder)trans-102.4119.4-178.9-51.6166.4000107.1V97 C99 L105 R113 I114 L127V97-I125 HydrophobicContact CG1-CD1 4.33Å; V97-I125 HydrophobicContact CG1-CG2 4.45Å; C99-I125 HydrophobicContact CB-CD1 3.88Å; L105-I125 HydrophobicContact CD1-CD1 4.48Å; R113-I125 WeakPolarHBondContact CA-O 3.36Å; I114-I125 HydrophobicContact CG2-CB 3.94Å; I114-I125 HydrophobicContact CG2-CD1 4.45Å; I114-I125 PolarHBondContact N-O 3.18Å; I114-I125 PolarHBondContact O-N 3.06Å; I125-L127 HydrophobicContact CB-CD1 4.31Å; I125-L127 HydrophobicContact CG2-CD1 3.88Å; I125-L127 HydrophobicContact CG2-CG 4.49Å
126N79.9Confident67.3Low117 Ų117109.7 Ų109.763%0.62658%0.578SS**EExtended strand (participates in β ladder)trans-88.9119.6171.3-62.4-45.3000108R112R112-N126 CarbonylContact O-C 3.52Å; R112-N126 WeakPolarHBondContact O-CA 3.41Å
127L77Confident64.8Low29 Ų29116.8 Ų116.815%0.15261%0.61CS.*  trans-97.3110.8174.9-73.689.9000107.6K95 V97 R112 I114 I125K95-L127 HydrophobicContact CD-CD2 4.05Å; V97-L127 HydrophobicContact CB-CD2 4.38Å; V97-L127 HydrophobicContact CG1-CD1 4.36Å; V97-L127 HydrophobicContact CG1-CD2 4.07Å; V97-L127 HydrophobicContact CG2-CD2 3.39Å; R112-L127 PolarHBondContact O-N 2.88Å; I114-L127 HydrophobicContact CG2-CD1 3.35Å; I125-L127 HydrophobicContact CB-CD1 4.31Å; I125-L127 HydrophobicContact CG2-CD1 3.88Å; I125-L127 HydrophobicContact CG2-CG 4.49Å
128S64.6Low62.8Low103 Ų103117.2 Ų117.272%0.7261%0.613SS**  trans-60.4128.5172.2-60.40000108.6V130S128-V130 PolarHBondContact O-N 2.98Å; S128-V130 VanDerWaalsContact O-N 3.14Å
129P53.3Low60.7Low84 Ų84117.1 Ų117.155%0.54563%0.634SS.*  trans-62.9118.9174.524-29.3000108.1M131P129-M131 PolarHBondContact O-N 3.09Å
130V48.9Very low58.6Low132 Ų132122 Ų12280%0.865%0.649SS**  trans-66.2104.8165.4177.80000104.9S128 V132S128-V130 PolarHBondContact O-N 2.98Å; S128-V130 VanDerWaalsContact O-N 3.14Å; V130-V132 PolarHBondContact O-N 3.04Å; V130-V132 VanDerWaalsContact O-N 3.09Å
131M42.2Very low56.7Low163 Ų163120.3 Ų120.380%0.80365%0.647SS**  trans-66.2110.4169.9-62-156.7-62.600105.8P129 I133P129-M131 PolarHBondContact O-N 3.09Å; M131-I133 VanDerWaalsContact C-N 3.34Å; M131-I133 PolarHBondContact O-N 3.14Å
132V36.4Very low54.9Low132 Ų132123.6 Ų123.680%0.868%0.677SS**  trans-67.299.5173.2-167.20000105.6V130V130-V132 PolarHBondContact O-N 3.04Å; V130-V132 VanDerWaalsContact O-N 3.09Å
133I42.3Very low52.7Low139 Ų139121.9 Ų121.971%0.71368%0.681SS**  trans-74.4124.6162.4-53.1171.7000104.3M131 E135M131-I133 VanDerWaalsContact C-N 3.34Å; M131-I133 PolarHBondContact O-N 3.14Å; I133-E135 PolarHBondContact O-N 2.84Å
134P44.1Very low50.5Low121 Ų121120.3 Ų120.379%0.78669%0.689SS**  trans-60.3110.1169.9-19.532.3000108.3E136P134-E136 PolarHBondContact O-N 3.33Å
135E42.3Very low48.5Very low188 Ų188124.6 Ų124.688%0.87971%0.711SS**  trans-80.1108.2-176-167.8166.5115.400109.2I133I133-E135 PolarHBondContact O-N 2.84Å
136E38.1Very low46.6Very low173 Ų173129.4 Ų129.481%0.80873%0.733SS**  trans-113.6133.4154.3-117.5-165.210500108.1P134P134-E136 PolarHBondContact O-N 3.33Å
137Q36.7Very low45Very low154 Ų154127.9 Ų127.972%0.7273%0.729SS**SBendtrans76.6151.8168.6-111.770.3-44.200118.8
138P42.3Very low43.9Very low107 Ų107135.6 Ų135.670%0.69576%0.764SS**  -123.6158.5-122.616.711.2000112.6
139A42.8Very low43.6Very low100 Ų100131.3 Ų131.383%0.82674%0.737SS**  trans39.989.8153.500000118.9
140Q36.3Very low44.3Very low189 Ų189130.8 Ų130.888%0.88373%0.728SS**  trans-140.5150.6146.1-72.7-165.3-13.600112.2
141P40.7Very low45.5Very low126 Ų126131.6 Ų131.682%0.81872%0.717SS**  trans-76.9151.5-163.6-10.728.3000114.3L143P141-L143 PolarHBondContact O-N 2.85Å
142A45.9Very low46.9Very low102 Ų102123.9 Ų123.984%0.84368%0.679SS**  trans-48.5122.1-17100000116.6
143L37.6Very low48.9Very low151 Ų151119.7 Ų119.779%0.79165%0.653SS**  trans-109.6146.1148.8-74.9175.5000109P141 I145P141-L143 PolarHBondContact O-N 2.85Å; L143-I145 PolarHBondContact O-N 2.81Å
144P40.4Very low50.6Low109 Ų109113.1 Ų113.171%0.70862%0.62SS**  trans-61123.7-177.424.7-31.4000109.2Q146P144-Q146 PolarHBondContact O-N 2.81Å
145I42.9Very low52Low169 Ų169108.9 Ų108.987%0.86760%0.598SS**  trans-65.581174.6-59.2154.6000107.5L143L143-I145 PolarHBondContact O-N 2.81Å
146Q43.2Very low53.7Low129 Ų129103.2 Ų103.260%0.60357%0.571SS**  trans-60.2136.5153.7-75.2-84.6-27.800105.6P144 E148P144-Q146 PolarHBondContact O-N 2.81Å; Q146-E148 PolarHBondContact O-N 2.96Å
147P46.2Very low55.7Low86 Ų8697.3 Ų97.356%0.55855%0.549SS*.  trans-53.7117.8160.525.5-29.9000104.8G149 M164P147-G149 PolarHBondContact O-N 3.48Å; P147-M164 HydrophobicContact CB-SD 3.94Å; P147-M164 HydrophobicContact CG-CE 4.15Å; P147-M164 HydrophobicContact CG-SD 4Å
148E54.7Low57.4Low190 Ų19092.3 Ų92.389%0.88854%0.539SS*.  trans-63.283.6-176.5-73.8-164.3131.400108.6Q146 M150Q146-E148 PolarHBondContact O-N 2.96Å; E148-M150 PolarHBondContact O-N 3Å
149G58.3Low59.2Low14 Ų1490.8 Ų90.814%0.14453%0.525CS..PPolyproline II helixtrans-69.3121.716600000106.1P147 R151 L162 W163P147-G149 PolarHBondContact O-N 3.48Å; G149-R151 PolarHBondContact O-N 3.44Å; G149-L162 WeakPolarHBondContact O-CD2 3.22Å; G149-W163 CarbonylContact C-O 3.55Å; G149-W163 VanDerWaalsContact CA-O 3.23Å; G149-W163 WeakPolarHBondContact CA-O 3.44Å
150M68.6Low60.7Low73 Ų7388.6 Ų88.636%0.3650%0.501SS..EExtended strand (participates in β ladder)trans-61.5124.9169.9-173.7-178.8-69.900107.6E148 V152 W163 P252E148-M150 PolarHBondContact O-N 3Å; M150-V152 HydrophobicContact CB-CG2 4.12Å; M150-V152 HydrophobicContact CG-CG2 3.72Å; M150-V152 PolarHBondContact O-N 3.05Å; M150-V152 HydrophobicContact SD-CG2 3.96Å; M150-W163 PolarHBondContact N-O 3.39Å; M150-W163 PolarHBondContact O-N 3.16Å; M150-P252 HydrophobicContact CG-CB 4.13Å; M150-P252 HydrophobicContact SD-CB 3.74Å
151R72.7Confident62.7Low148 Ų14880.4 Ų80.456%0.55846%0.463SS*.EExtended strand (participates in β ladder)trans-74.1119.3168.6-74.6-177.8-176.2-97.5-0.5107.8G149 T160 L162 E253G149-R151 PolarHBondContact O-N 3.44Å; R151-T160 HydrophobicContact CB-CG2 3.84Å; R151-T160 HydrophobicContact CG-CG2 4.27Å; R151-L162 HydrophobicContact CG-CD2 4.25Å; R151-E253 HydrophobicContact CB-CB 4.35Å; R151-E253 PolarHBondContact O-N 3.19Å
152V73.1Confident64.2Low1 Ų178.8 Ų78.81%0.00645%0.446CS..EExtended strand (participates in β ladder)trans-125129.2-175.7-177.50000108.4M150 T160 F161 W163 V183M150-V152 HydrophobicContact CB-CG2 4.12Å; M150-V152 HydrophobicContact CG-CG2 3.72Å; M150-V152 PolarHBondContact O-N 3.05Å; M150-V152 HydrophobicContact SD-CG2 3.96Å; V152-T160 WeakPolarHBondContact O-CA 3.41Å; V152-F161 HydrophobicContact CB-CE1 4.33Å; V152-F161 HydrophobicContact CB-CE2 4.38Å; V152-F161 HydrophobicContact CB-CZ 4.09Å; V152-F161 HydrophobicContact CG1-CE1 4.3Å; V152-F161 HydrophobicContact CG1-CZ 4.09Å; V152-F161 PolarHBondContact N-O 2.99Å; V152-F161 WeakPolarHBondContact O-CD1 3.44Å; V152-F161 PolarHBondContact O-N 3.07Å; V152-W163 HydrophobicContact CG2-CB 4.03Å; V152-V183 HydrophobicContact CB-CG1 4.29Å; V152-V183 HydrophobicContact CG1-CG1 4.02Å; V152-V183 HydrophobicContact CG1-CG2 3.98Å; V152-V183 HydrophobicContact CG2-CG1 3.59Å
153V76.8Confident65.2Low44 Ų4475.9 Ų75.927%0.26741%0.414SS..EExtended strand (participates in β ladder)trans-87.2122.2177.8-176.90000108.4G155 G158 S250 Y251 E253V153-G155 PolarHBondContact O-N 3.44Å; V153-G158 WeakPolarHBondContact CG1-O 3.35Å; V153-S250 WeakPolarHBondContact O-CA 3.33Å; V153-S250 WeakPolarHBondContact O-CB 3.36Å; V153-Y251 PolarHBondContact N-O 3.47Å; V153-Y251 PolarHBondContact O-N 3.12Å; V153-E253 HydrophobicContact CG2-CB 4.19Å
154C79.6Confident66.4Low1 Ų172.2 Ų72.21%0.00739%0.394CS..  trans-66.5122178.6-177.90000111.3H156 C157 G158 N159 F161 C177C154-H156 PolarHBondContact O-N 3.5Å; C154-H156 PolarHBondContact SG-N 3.44Å; C154-H156 VanDerWaalsContact SG-N 3.44Å; C154-C157 PolarHBondContact O-N 3.29Å; C154-G158 WeakPolarHBondContact O-CA 2.94Å; C154-G158 PolarHBondContact O-N 3.15Å; C154-N159 WeakPolarHBondContact CB-O 3.38Å; C154-N159 PolarHBondContact N-O 2.91Å; C154-F161 HydrophobicContact CB-CD1 4.28Å; C154-F161 HydrophobicContact CB-CE1 4.01Å; C154-C177 PolarHBondContact SG-SG 3.27Å
155G71.8Confident67.2Low32 Ų3273.8 Ų73.833%0.3339%0.391SS..THydrogen-bonded Turntrans-67.6-3.1177.100000115.4V153V153-G155 PolarHBondContact O-N 3.44Å
156H78.3Confident67.5Low69 Ų6973.2 Ų73.232%0.31939%0.389SS..THydrogen-bonded Turntrans-100.6-38.5176-63-63.2000114.2C154 K179 I180 S181C154-H156 PolarHBondContact O-N 3.5Å; C154-H156 PolarHBondContact SG-N 3.44Å; C154-H156 VanDerWaalsContact SG-N 3.44Å; H156-K179 HydrophobicContact CB-CB 4.49Å; H156-K179 HydrophobicContact CB-CD 4.03Å; H156-K179 VanDerWaalsContact CD2-CB 3.46Å; H156-K179 WeakPolarHBondContact CD2-CB 3.35Å; H156-I180 PolarHBondContact NE2-O 3.29Å; H156-S181 PolarHBondContact CD2-OG 2.07Å; H156-S181 PolarHBondContact NE2-OG 2.81Å
157C80.2Confident67.8Low50 Ų5076.5 Ų76.534%0.33840%0.396SS..THydrogen-bonded Turntrans-124.2-5.1-173.367.30000113.9C154 N159 C177C154-C157 PolarHBondContact O-N 3.29Å; C157-N159 PolarHBondContact O-N 2.85Å; C157-C177 HydrophobicContact CB-CB 3.97Å
158G74.2Confident67.9Low49 Ų4982.4 Ų82.451%0.50541%0.414SS..  trans73.6-1.9179.300000115V153 C154V153-G158 WeakPolarHBondContact CG1-O 3.35Å; C154-G158 WeakPolarHBondContact O-CA 2.94Å; C154-G158 PolarHBondContact O-N 3.15Å
159N78.2Confident67.8Low74 Ų7478.9 Ų78.940%0.39640%0.401SS..  trans-81.3137.3179.4-69.5-12.5000111.3C154 C157 H176C154-N159 WeakPolarHBondContact CB-O 3.38Å; C154-N159 PolarHBondContact N-O 2.91Å; C157-N159 PolarHBondContact O-N 2.85Å; N159-H176 HydrophobicContact CB-CB 4.49Å; N159-H176 VanDerWaalsContact CB-CD2 3.47Å; N159-H176 WeakPolarHBondContact CB-CD2 3.5Å; N159-H176 PolarHBondContact ND2-ND1 2.68Å
160T76.1Confident67.8Low54 Ų5481.7 Ų81.733%0.33142%0.415SS..EExtended strand (participates in β ladder)trans-79.1131.2175.4-46.70000110.5R151 V152 E253R151-T160 HydrophobicContact CB-CG2 3.84Å; R151-T160 HydrophobicContact CG-CG2 4.27Å; V152-T160 WeakPolarHBondContact O-CA 3.41Å; T160-E253 WeakPolarHBondContact CG2-OE2 3.43Å
161F76.9Confident67.5Low18 Ų1882.9 Ų82.98%0.07942%0.422CS..EExtended strand (participates in β ladder)trans-128.8153.3171.365.5-85.5000110.7V152 C154 W163 A172 P175 V183V152-F161 HydrophobicContact CB-CE1 4.33Å; V152-F161 HydrophobicContact CB-CE2 4.38Å; V152-F161 HydrophobicContact CB-CZ 4.09Å; V152-F161 HydrophobicContact CG1-CE1 4.3Å; V152-F161 HydrophobicContact CG1-CZ 4.09Å; V152-F161 PolarHBondContact N-O 2.99Å; V152-F161 WeakPolarHBondContact O-CD1 3.44Å; V152-F161 PolarHBondContact O-N 3.07Å; C154-F161 HydrophobicContact CB-CD1 4.28Å; C154-F161 HydrophobicContact CB-CE1 4.01Å; F161-W163 HydrophobicContact CD2-CB 4.45Å; F161-W163 HydrophobicContact CE2-CB 4.05Å; F161-W163 HydrophobicContact CE2-CD2 4.48Å; F161-W163 AromaticContact CE2-CE3 3.88Å; F161-W163 HydrophobicContact CE2-CE3 3.88Å; F161-A172 HydrophobicContact CE2-CB 4.11Å; F161-A172 HydrophobicContact CZ-CB 4.07Å; F161-P175 HydrophobicContact CB-CG 4.04Å; F161-V183 HydrophobicContact CE2-CG2 4.25Å; F161-V183 HydrophobicContact CZ-CG2 3.78Å
162L73.1Confident67.2Low91 Ų9175.9 Ų75.948%0.47640%0.396SS..EExtended strand (participates in β ladder)trans-82.1115.5174.5-83.3153.3000109.2G149 R151 M164G149-L162 WeakPolarHBondContact O-CD2 3.22Å; R151-L162 HydrophobicContact CG-CD2 4.25Å; L162-M164 HydrophobicContact CB-CE 4.4Å; L162-M164 HydrophobicContact CD2-CE 4.35Å
163W66.7Low67.2Low41 Ų4182.5 Ų82.516%0.15543%0.425CS..EExtended strand (participates in β ladder)trans-98.6119.8172.9-175.8-103.5000109.9G149 M150 V152 F161 N169 A172 V183G149-W163 CarbonylContact C-O 3.55Å; G149-W163 VanDerWaalsContact CA-O 3.23Å; G149-W163 WeakPolarHBondContact CA-O 3.44Å; M150-W163 PolarHBondContact N-O 3.39Å; M150-W163 PolarHBondContact O-N 3.16Å; V152-W163 HydrophobicContact CG2-CB 4.03Å; F161-W163 HydrophobicContact CD2-CB 4.45Å; F161-W163 HydrophobicContact CE2-CB 4.05Å; F161-W163 HydrophobicContact CE2-CD2 4.48Å; F161-W163 AromaticContact CE2-CE3 3.88Å; F161-W163 HydrophobicContact CE2-CE3 3.88Å; W163-N169 WeakPolarHBondContact CZ2-O 3.22Å; W163-A172 HydrophobicContact CD2-CB 4.11Å; W163-A172 HydrophobicContact CE3-CB 3.39Å; W163-A172 HydrophobicContact CH2-CB 3.45Å; W163-A172 VanDerWaalsContact CH2-CB 3.45Å; W163-A172 HydrophobicContact CZ2-CB 4.15Å; W163-A172 HydrophobicContact CZ3-CB 3.03Å; W163-V183 HydrophobicContact CB-CG1 4.15Å; W163-V183 HydrophobicContact CD2-CB 4.33Å; W163-V183 HydrophobicContact CD2-CG1 4.2Å; W163-V183 HydrophobicContact CD2-CG2 4.4Å; W163-V183 HydrophobicContact CG-CB 4.36Å; W163-V183 HydrophobicContact CG-CG1 3.72Å
164M63.3Low67.2Low75 Ų7580.5 Ų80.537%0.36941%0.413SS..  trans-89.2116.6175.8-67.5-67.8147.800108.9P147 L162 L166P147-M164 HydrophobicContact CB-SD 3.94Å; P147-M164 HydrophobicContact CG-CE 4.15Å; P147-M164 HydrophobicContact CG-SD 4Å; L162-M164 HydrophobicContact CB-CE 4.4Å; L162-M164 HydrophobicContact CD2-CE 4.35Å; M164-L166 PolarHBondContact O-N 3Å
165E57.2Low67.2Low141 Ų14184.6 Ų84.666%0.65944%0.439SS*.THydrogen-bonded Turntrans-52.8-11.2180-154.773.7-147.500114R167E165-R167 PolarHBondContact O-N 2.84Å; E165-R167 VanDerWaalsContact O-N 3.15Å
166L47.5Very low67.5Low158 Ų15888.3 Ų88.383%0.82745%0.448SS*.THydrogen-bonded Turntrans-73.6-0.7-173.5-153.472.3000115.2M164M164-L166 PolarHBondContact O-N 3Å
167R50.6Low67.5Low198 Ų19886.8 Ų86.875%0.74745%0.445SS*.  trans-111110.3171.5-74.1-164.3-179.7-177.32.1109.6E165 N169E165-R167 PolarHBondContact O-N 2.84Å; E165-R167 VanDerWaalsContact O-N 3.15Å; R167-N169 PolarHBondContact O-N 2.79Å
168F47.6Very low67.3Low210 Ų21092 Ų9292%0.92146%0.462SS*.  trans-52.14.2170-62.2-83.5000115.9
169N52.7Low67.3Low116 Ų11695.6 Ų95.662%0.6246%0.463SS*.  trans-95.5114.7175.5-84.720.6000110.3W163 R167 L171W163-N169 WeakPolarHBondContact CZ2-O 3.22Å; R167-N169 PolarHBondContact O-N 2.79Å; N169-L171 PolarHBondContact O-N 3.33Å
170T58.5Low66.9Low72 Ų7297 Ų9744%0.44247%0.47SS..SBendtrans-66.67.4177.1-170000114.4S182T170-S182 WeakPolarHBondContact O-CA 3.45Å; T170-S182 PolarHBondContact O-OG 3.42Å
171L62.8Low66.4Low98 Ų9894.5 Ų94.551%0.51345%0.454SS..EExtended strand (participates in β ladder)trans-114.8111.3-178.5-98.673.4000109.3N169 I180N169-L171 PolarHBondContact O-N 3.33Å; L171-I180 HydrophobicContact CB-CG2 4.02Å; L171-I180 HydrophobicContact CD2-CG2 3.49Å; L171-I180 VanDerWaalsContact CD2-CG2 3.49Å; L171-I180 HydrophobicContact CG-CG2 3.57Å
172A67.1Low65.7Low1 Ų194.2 Ų94.21%0.00846%0.455CS..EExtended strand (participates in β ladder)trans-96.1135.6171.500000110.8F161 W163 I180 S181 V183F161-A172 HydrophobicContact CE2-CB 4.11Å; F161-A172 HydrophobicContact CZ-CB 4.07Å; W163-A172 HydrophobicContact CD2-CB 4.11Å; W163-A172 HydrophobicContact CE3-CB 3.39Å; W163-A172 HydrophobicContact CH2-CB 3.45Å; W163-A172 VanDerWaalsContact CH2-CB 3.45Å; W163-A172 HydrophobicContact CZ2-CB 4.15Å; W163-A172 HydrophobicContact CZ3-CB 3.03Å; A172-I180 CarbonylContact O-C 3.53Å; A172-I180 WeakPolarHBondContact O-CA 3.45Å; A172-S181 PolarHBondContact N-O 3.11Å; A172-S181 PolarHBondContact O-N 2.84Å; A172-S181 VanDerWaalsContact O-O 3.11Å; A172-V183 HydrophobicContact CB-CB 4.25Å; A172-V183 HydrophobicContact CB-CG2 3.3Å
173K72.9Confident65Low141 Ų14190.3 Ų90.361%0.61344%0.435SS*.EExtended strand (participates in β ladder)trans-95.1118.8167.6-166.9173.8-176.1174.20108.5K178K173-K178 WeakPolarHBondContact CE-O 3.14Å; K173-K178 WeakPolarHBondContact CG-O 2.93Å
174C77.1Confident64.6Low2 Ų289.5 Ų89.51%0.01444%0.439CS..PPolyproline II helixtrans-59.1124.8177.1171.30000110.9H176 C177 K178 K179C174-H176 VanDerWaalsContact C-N 3.3Å; C174-H176 PolarHBondContact O-N 3.41Å; C174-C177 HydrophobicContact CB-CB 4.32Å; C174-C177 WeakPolarHBondContact CB-SG 3.29Å; C174-C177 WeakPolarHBondContact SG-CB 3.24Å; C174-C177 PolarHBondContact SG-N 3.3Å; C174-C177 CovalentContact SG-SG 2.07Å; C174-C177 PolarHBondContact SG-SG 3.24Å; C174-K178 WeakPolarHBondContact O-CA 3.46Å; C174-K178 PolarHBondContact O-N 2.95Å; C174-K179 VanDerWaalsContact CB-O 3.29Å; C174-K179 WeakPolarHBondContact CB-O 3.2Å; C174-K179 PolarHBondContact N-O 3.05Å
175P78.2Confident64.1Low87 Ų8789 Ų8957%0.56544%0.443SS*.THydrogen-bonded Turntrans-69.4-27.5178.725.2-31.8000112.9F161F161-P175 HydrophobicContact CB-CG 4.04Å
176H78.5Confident63.7Low109 Ų10985.7 Ų85.751%0.50544%0.439SS..THydrogen-bonded Turntrans-80.2-42.8-179.5-57.9-77.6000112.8N159 C174N159-H176 HydrophobicContact CB-CB 4.49Å; N159-H176 VanDerWaalsContact CB-CD2 3.47Å; N159-H176 WeakPolarHBondContact CB-CD2 3.5Å; N159-H176 PolarHBondContact ND2-ND1 2.68Å; C174-H176 VanDerWaalsContact C-N 3.3Å; C174-H176 PolarHBondContact O-N 3.41Å
177C77.7Confident63.9Low38 Ų3883 Ų8326%0.25743%0.425SS..THydrogen-bonded Turntrans-115.6-6.9-165.961.50000113.5C154 C157 C174 K179C154-C177 PolarHBondContact SG-SG 3.27Å; C157-C177 HydrophobicContact CB-CB 3.97Å; C174-C177 HydrophobicContact CB-CB 4.32Å; C174-C177 WeakPolarHBondContact CB-SG 3.29Å; C174-C177 WeakPolarHBondContact SG-CB 3.24Å; C174-C177 PolarHBondContact SG-N 3.3Å; C174-C177 CovalentContact SG-SG 2.07Å; C174-C177 PolarHBondContact SG-SG 3.24Å; C177-K179 PolarHBondContact O-N 3.38Å
178K77.1Confident64Low159 Ų15974.9 Ų74.969%0.69140%0.398SS*.  trans55.92.2-178-63.8177.5-177.8173.90115.4K173 C174K173-K178 WeakPolarHBondContact CE-O 3.14Å; K173-K178 WeakPolarHBondContact CG-O 2.93Å; C174-K178 WeakPolarHBondContact O-CA 3.46Å; C174-K178 PolarHBondContact O-N 2.95Å
179K73.6Confident64.7Low125 Ų12573.5 Ų73.554%0.54339%0.387SS..  trans-74.8147.5173.4-68.7-176.4-179.2-1780110.4H156 C174 C177H156-K179 HydrophobicContact CB-CB 4.49Å; H156-K179 HydrophobicContact CB-CD 4.03Å; H156-K179 VanDerWaalsContact CD2-CB 3.46Å; H156-K179 WeakPolarHBondContact CD2-CB 3.35Å; C174-K179 VanDerWaalsContact CB-O 3.29Å; C174-K179 WeakPolarHBondContact CB-O 3.2Å; C174-K179 PolarHBondContact N-O 3.05Å; C177-K179 PolarHBondContact O-N 3.38Å
180I70.6Confident65.2Low103 Ų10377.2 Ų77.253%0.52839%0.392SS..EExtended strand (participates in β ladder)trans-87.4123.7-180-61.1161000107.4H156 L171 A172H156-I180 PolarHBondContact NE2-O 3.29Å; L171-I180 HydrophobicContact CB-CG2 4.02Å; L171-I180 HydrophobicContact CD2-CG2 3.49Å; L171-I180 VanDerWaalsContact CD2-CG2 3.49Å; L171-I180 HydrophobicContact CG-CG2 3.57Å; A172-I180 CarbonylContact O-C 3.53Å; A172-I180 WeakPolarHBondContact O-CA 3.45Å
181S65.1Low65.8Low1 Ų181.6 Ų81.61%0.00740%0.401CS..EExtended strand (participates in β ladder)trans-122.6142.1176.4-54.90000109.3H156 A172 S250H156-S181 PolarHBondContact CD2-OG 2.07Å; H156-S181 PolarHBondContact NE2-OG 2.81Å; A172-S181 PolarHBondContact N-O 3.11Å; A172-S181 PolarHBondContact O-N 2.84Å; A172-S181 VanDerWaalsContact O-O 3.11Å; S181-S250 WeakPolarHBondContact CB-OG 3.21Å
182S62.2Low66Low12 Ų1277.7 Ų77.78%0.08438%0.381CS..EExtended strand (participates in β ladder)trans-80.7125172.8-179.60000109.3T170 P188 S250T170-S182 WeakPolarHBondContact O-CA 3.45Å; T170-S182 PolarHBondContact O-OG 3.42Å; S182-P188 WeakPolarHBondContact OG-CG 3.42Å; S182-S250 PolarHBondContact O-N 3.02Å; S182-S250 PolarHBondContact O-OG 3.21Å
183V58.5Low66.2Low10 Ų1080.9 Ų80.96%0.06140%0.403CS..EExtended strand (participates in β ladder)trans-108.6122.6179.6176.30000108.4V152 F161 W163 A172V152-V183 HydrophobicContact CB-CG1 4.29Å; V152-V183 HydrophobicContact CG1-CG1 4.02Å; V152-V183 HydrophobicContact CG1-CG2 3.98Å; V152-V183 HydrophobicContact CG2-CG1 3.59Å; F161-V183 HydrophobicContact CE2-CG2 4.25Å; F161-V183 HydrophobicContact CZ-CG2 3.78Å; W163-V183 HydrophobicContact CB-CG1 4.15Å; W163-V183 HydrophobicContact CD2-CB 4.33Å; W163-V183 HydrophobicContact CD2-CG1 4.2Å; W163-V183 HydrophobicContact CD2-CG2 4.4Å; W163-V183 HydrophobicContact CG-CB 4.36Å; W163-V183 HydrophobicContact CG-CG1 3.72Å; A172-V183 HydrophobicContact CB-CB 4.25Å; A172-V183 HydrophobicContact CB-CG2 3.3Å
184G58.8Low66.5Low23 Ų2376.2 Ų76.224%0.23739%0.39CS..  trans132.9102.3-174.300000110.1A186 P188G184-A186 VanDerWaalsContact C-N 3.3Å; G184-A186 PolarHBondContact O-N 3.41Å; G184-P188 WeakPolarHBondContact O-CD 3.32Å; G184-P188 WeakPolarHBondContact O-CG 3.36Å
185S50.8Low66.5Low66 Ų6680.9 Ų80.946%0.46241%0.409SS..SBendtrans-69.9-17.2-170.845.50000115.1
186A49.9Very low66.5Low70 Ų7080.4 Ų80.458%0.57940%0.4SS*.SBendtrans-106.3-31.4-171.300000115.3G184 R190G184-A186 VanDerWaalsContact C-N 3.3Å; G184-A186 PolarHBondContact O-N 3.41Å; A186-R190 WeakPolarHBondContact O-CB 3.44Å
187L51.8Low66.8Low101 Ų10178.9 Ų78.953%0.52940%0.399SS..Hα-helixtrans-89.6-38.9-167.7-72.5158.5000115.5R190 R191L187-R190 PolarHBondContact O-N 2.86Å; L187-R191 WeakPolarHBondContact O-CG 3.44Å; L187-R191 PolarHBondContact O-N 3.19Å
188P52.3Low67.1Low28 Ų2881 Ų8118%0.18241%0.407CS..Hα-helixtrans-67.7-40.8179.5-16.228.9000112S182 G184 R191 C192S182-P188 WeakPolarHBondContact OG-CG 3.42Å; G184-P188 WeakPolarHBondContact O-CD 3.32Å; G184-P188 WeakPolarHBondContact O-CG 3.36Å; P188-R191 PolarHBondContact O-N 2.85Å; P188-C192 VanDerWaalsContact O-CB 3.32Å; P188-C192 WeakPolarHBondContact O-CB 3.39Å; P188-C192 PolarHBondContact O-N 2.93Å
189R63.1Low67.3Low182 Ų18273.4 Ų73.469%0.68737%0.374SS*.Hα-helixtrans-64.5-40.1176.6-167.6170.6179.8167.7-0.9111.3C192 C193R189-C192 PolarHBondContact O-N 3.07Å; R189-C193 WeakPolarHBondContact O-CB 3.35Å; R189-C193 PolarHBondContact O-N 2.93Å; R189-C193 PolarHBondContact O-SG 2.87Å
190R62.9Low67.8Low193 Ų19371.6 Ų71.673%0.72837%0.368SS*.Hα-helixtrans-66.9-39.5176.6-162.4174.2-172.8-137.61.5112.5A186 L187 A194A186-R190 WeakPolarHBondContact O-CB 3.44Å; L187-R190 PolarHBondContact O-N 2.86Å; R190-A194 VanDerWaalsContact O-CB 3.32Å; R190-A194 WeakPolarHBondContact O-CB 3.32Å; R190-A194 PolarHBondContact O-N 3.37Å
191R70.3Confident68.7Low165 Ų16571.2 Ų71.262%0.62337%0.366SS*.Hα-helixtrans-70-39.8174.4-70.3-173.7-178.3-173.81.7112.2L187 P188 A194 Y195L187-R191 WeakPolarHBondContact O-CG 3.44Å; L187-R191 PolarHBondContact O-N 3.19Å; P188-R191 PolarHBondContact O-N 2.85Å; R191-A194 PolarHBondContact O-N 2.79Å; R191-Y195 WeakPolarHBondContact O-CD2 3.4Å; R191-Y195 PolarHBondContact O-N 3.37Å
192C67.2Low69.6Low15 Ų1572.9 Ų72.910%0.10138%0.377CS..Hα-helixtrans-62-49.6174.1-175.80000111.3P188 R189 A194 Y195 I196 W244P188-C192 VanDerWaalsContact O-CB 3.32Å; P188-C192 WeakPolarHBondContact O-CB 3.39Å; P188-C192 PolarHBondContact O-N 2.93Å; R189-C192 PolarHBondContact O-N 3.07Å; C192-A194 VanDerWaalsContact C-N 3.3Å; C192-A194 PolarHBondContact O-N 3.41Å; C192-Y195 PolarHBondContact O-N 3.03Å; C192-I196 WeakPolarHBondContact O-CG1 3.33Å; C192-I196 PolarHBondContact O-N 3.42Å; C192-W244 HydrophobicContact CB-CB 4.49Å
193C71.6Confident70.7Confident68 Ų6875 Ų7546%0.45939%0.387SS..Hα-helixtrans-58.1-41.6174.5-71.20000111.9R189 I196 T197R189-C193 WeakPolarHBondContact O-CB 3.35Å; R189-C193 PolarHBondContact O-N 2.93Å; R189-C193 PolarHBondContact O-SG 2.87Å; C193-I196 PolarHBondContact O-N 3.42Å; C193-T197 WeakPolarHBondContact O-CG2 3.11Å; C193-T197 PolarHBondContact O-N 2.96Å; C193-T197 PolarHBondContact O-OG1 3.24Å
194A78.8Confident72.2Confident43 Ų4381.2 Ų81.236%0.35541%0.414SS..Hα-helixtrans-63.6-40.2176.500000113R190 R191 C192 T197 I198R190-A194 VanDerWaalsContact O-CB 3.32Å; R190-A194 WeakPolarHBondContact O-CB 3.32Å; R190-A194 PolarHBondContact O-N 3.37Å; R191-A194 PolarHBondContact O-N 2.79Å; C192-A194 VanDerWaalsContact C-N 3.3Å; C192-A194 PolarHBondContact O-N 3.41Å; A194-T197 WeakPolarHBondContact CA-OG1 3.42Å; A194-T197 PolarHBondContact O-OG1 3.24Å; A194-I198 WeakPolarHBondContact O-CB 3.44Å; A194-I198 WeakPolarHBondContact O-CD1 3.28Å; A194-I198 WeakPolarHBondContact O-CG1 3.32Å; A194-I198 PolarHBondContact O-N 3.49Å
195Y77.2Confident73.5Confident101 Ų10184.8 Ų84.840%0.39643%0.426SS..Hα-helixtrans-70.9-35.8175.7-75.2-62.4000112.6R191 C192 G199R191-Y195 WeakPolarHBondContact O-CD2 3.4Å; R191-Y195 PolarHBondContact O-N 3.37Å; C192-Y195 PolarHBondContact O-N 3.03Å; Y195-G199 PolarHBondContact O-N 3.34Å
196I79.6Confident75.2Confident76 Ų7681.7 Ų81.739%0.3941%0.405SS..Hα-helixtrans-63.2-46.7172.9-69.7-179.3000110.3C192 C193 G199 M200 A241C192-I196 WeakPolarHBondContact O-CG1 3.33Å; C192-I196 PolarHBondContact O-N 3.42Å; C193-I196 PolarHBondContact O-N 3.42Å; I196-G199 PolarHBondContact O-N 2.86Å; I196-M200 HydrophobicContact CG2-CG 4.36Å; I196-M200 VanDerWaalsContact O-CG 3.28Å; I196-M200 WeakPolarHBondContact O-CG 3.43Å; I196-M200 PolarHBondContact O-N 2.73Å; I196-A241 HydrophobicContact CG1-CB 3.78Å
197T83.2Confident77.1Confident77 Ų7781.6 Ų81.647%0.47240%0.397SS..Hα-helixtrans-64.1-44.1179.954.10000111.7C193 A194 G199 M200 I201C193-T197 WeakPolarHBondContact O-CG2 3.11Å; C193-T197 PolarHBondContact O-N 2.96Å; C193-T197 PolarHBondContact O-OG1 3.24Å; A194-T197 WeakPolarHBondContact CA-OG1 3.42Å; A194-T197 PolarHBondContact O-OG1 3.24Å; T197-G199 PolarHBondContact O-N 3.41Å; T197-M200 PolarHBondContact O-N 3.01Å; T197-I201 WeakPolarHBondContact O-CD1 3.21Å; T197-I201 WeakPolarHBondContact O-CG1 3.08Å; T197-I201 PolarHBondContact O-N 3.14Å
198I83.7Confident78.9Confident83 Ų8378.9 Ų78.943%0.42639%0.393SS..Hα-helixtrans-61.1-44.5175-67.7166000110.9A194 M200 I201 C202A194-I198 WeakPolarHBondContact O-CB 3.44Å; A194-I198 WeakPolarHBondContact O-CD1 3.28Å; A194-I198 WeakPolarHBondContact O-CG1 3.32Å; A194-I198 PolarHBondContact O-N 3.49Å; I198-M200 PolarHBondContact O-N 2.89Å; I198-I201 PolarHBondContact O-N 3.35Å; I198-C202 PolarHBondContact O-N 2.96Å; I198-C202 PolarHBondContact O-SG 2.85Å
199G82.6Confident80.5Confident0 Ų081.4 Ų81.40%041%0.405CS..Hα-helixtrans-61-44177.700000113Y195 I196 T197 C202 I203Y195-G199 PolarHBondContact O-N 3.34Å; I196-G199 PolarHBondContact O-N 2.86Å; T197-G199 PolarHBondContact O-N 3.41Å; G199-C202 PolarHBondContact O-N 2.87Å; G199-I203 PolarHBondContact O-N 3.3Å; G199-I203 VanDerWaalsContact O-N 3.08Å
200M84.5Confident81.7Confident86 Ų8673.6 Ų73.642%0.42438%0.377SS..Hα-helixtrans-61.7-45.3175.4-70-62.8-66.600111.4I196 T197 I198 C202 I203 F204I196-M200 HydrophobicContact CG2-CG 4.36Å; I196-M200 VanDerWaalsContact O-CG 3.28Å; I196-M200 WeakPolarHBondContact O-CG 3.43Å; I196-M200 PolarHBondContact O-N 2.73Å; T197-M200 PolarHBondContact O-N 3.01Å; I198-M200 PolarHBondContact O-N 2.89Å; M200-C202 PolarHBondContact O-N 2.91Å; M200-I203 PolarHBondContact O-N 3.29Å; M200-F204 HydrophobicContact CE-CE2 3.83Å; M200-F204 HydrophobicContact CE-CZ 4.45Å; M200-F204 WeakPolarHBondContact O-CD2 3.18Å; M200-F204 PolarHBondContact O-N 3.03Å
201I87.9Confident82.9Confident96 Ų9668.3 Ų68.349%0.49237%0.366SS..Hα-helixtrans-59.1-46177.5-68.8163.7000110.7T197 I198 I203 F204 I205T197-I201 WeakPolarHBondContact O-CD1 3.21Å; T197-I201 WeakPolarHBondContact O-CG1 3.08Å; T197-I201 PolarHBondContact O-N 3.14Å; I198-I201 PolarHBondContact O-N 3.35Å; I201-I203 VanDerWaalsContact C-N 3.32Å; I201-I203 PolarHBondContact O-N 2.91Å; I201-F204 PolarHBondContact O-N 3Å; I201-I205 HydrophobicContact CG2-CD1 3.64Å; I201-I205 HydrophobicContact CG2-CG1 4.35Å; I201-I205 VanDerWaalsContact O-CG1 3.27Å; I201-I205 WeakPolarHBondContact O-CG1 3.39Å; I201-I205 PolarHBondContact O-N 3.18Å
202C84.3Confident83.7Confident35 Ų3563.6 Ų63.624%0.23637%0.37CS..Hα-helixtrans-60.8-38.9177.3-72.30000112.7I198 G199 M200 G206I198-C202 PolarHBondContact O-N 2.96Å; I198-C202 PolarHBondContact O-SG 2.85Å; G199-C202 PolarHBondContact O-N 2.87Å; M200-C202 PolarHBondContact O-N 2.91Å; C202-G206 PolarHBondContact O-N 3.4Å
203I86.2Confident84.7Confident56 Ų5664.8 Ų64.829%0.28738%0.376SS..Hα-helixtrans-66-46.3175.2-73.6-173.8000111.3G199 M200 I201 I205 G206 V207 L238G199-I203 PolarHBondContact O-N 3.3Å; G199-I203 VanDerWaalsContact O-N 3.08Å; M200-I203 PolarHBondContact O-N 3.29Å; I201-I203 VanDerWaalsContact C-N 3.32Å; I201-I203 PolarHBondContact O-N 2.91Å; I203-I205 VanDerWaalsContact C-N 3.3Å; I203-I205 PolarHBondContact O-N 3.16Å; I203-G206 PolarHBondContact O-N 3.35Å; I203-G206 VanDerWaalsContact O-N 3.15Å; I203-V207 HydrophobicContact CG2-CG2 4.29Å; I203-V207 WeakPolarHBondContact O-CG2 3.44Å; I203-V207 PolarHBondContact O-N 3.33Å; I203-L238 HydrophobicContact CD1-CD1 3.39Å; I203-L238 HydrophobicContact CD1-CG 4.37Å
204F88.9Confident85.1Confident142 Ų14268.5 Ų68.562%0.62338%0.381SS*.Hα-helixtrans-60.1-42.1177.9-82.5-68.9000111.9M200 I201 V207 G208M200-F204 HydrophobicContact CE-CE2 3.83Å; M200-F204 HydrophobicContact CE-CZ 4.45Å; M200-F204 WeakPolarHBondContact O-CD2 3.18Å; M200-F204 PolarHBondContact O-N 3.03Å; I201-F204 PolarHBondContact O-N 3Å; F204-V207 PolarHBondContact O-N 3.23Å; F204-G208 PolarHBondContact O-N 3.48Å
205I87.5Confident85.1Confident97 Ų9772.9 Ų72.950%0.49740%0.398SS..Hα-helixtrans-63.9-43.9174.7-66.2168.5000110.6I201 I203 V207 G208 L209I201-I205 HydrophobicContact CG2-CD1 3.64Å; I201-I205 HydrophobicContact CG2-CG1 4.35Å; I201-I205 VanDerWaalsContact O-CG1 3.27Å; I201-I205 WeakPolarHBondContact O-CG1 3.39Å; I201-I205 PolarHBondContact O-N 3.18Å; I203-I205 VanDerWaalsContact C-N 3.3Å; I203-I205 PolarHBondContact O-N 3.16Å; I205-V207 PolarHBondContact O-N 2.92Å; I205-G208 PolarHBondContact O-N 3.11Å; I205-L209 HydrophobicContact CG2-CD1 3.9Å; I205-L209 HydrophobicContact CG2-CG 4.35Å; I205-L209 WeakPolarHBondContact O-CB 3.43Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 2.92Å
206G86.2Confident85.1Confident2 Ų274.6 Ų74.62%0.02141%0.408CS..Hα-helixtrans-60.5-44.5177.100000112.9C202 I203 L209 T210 Y231C202-G206 PolarHBondContact O-N 3.4Å; I203-G206 PolarHBondContact O-N 3.35Å; I203-G206 VanDerWaalsContact O-N 3.15Å; G206-L209 PolarHBondContact O-N 2.91Å; G206-T210 WeakPolarHBondContact O-CB 3.4Å; G206-T210 PolarHBondContact O-N 3.42Å; G206-T210 PolarHBondContact O-OG1 3.38Å; G206-Y231 PolarHBondContact O-OH 3Å
207V89.8Confident84.8Confident67 Ų6771 Ų7141%0.40639%0.389SS..Hα-helixtrans-64-45.2175.1174.10000110.6I203 F204 I205 L209 T210 V211 Y231I203-V207 HydrophobicContact CG2-CG2 4.29Å; I203-V207 WeakPolarHBondContact O-CG2 3.44Å; I203-V207 PolarHBondContact O-N 3.33Å; F204-V207 PolarHBondContact O-N 3.23Å; I205-V207 PolarHBondContact O-N 2.92Å; V207-L209 PolarHBondContact O-N 3.47Å; V207-T210 PolarHBondContact O-N 3.42Å; V207-T210 VanDerWaalsContact O-N 3.15Å; V207-V211 HydrophobicContact CG1-CG2 4.43Å; V207-V211 WeakPolarHBondContact O-CG2 3.27Å; V207-V211 PolarHBondContact O-N 2.81Å; V207-Y231 HydrophobicContact CG2-CE1 4.37Å
208G88.8Confident84.4Confident44 Ų4477.6 Ų77.645%0.45441%0.405SS..Hα-helixtrans-59.4-45.1176.900000112.9F204 I205 T210 V211 G212F204-G208 PolarHBondContact O-N 3.48Å; I205-G208 PolarHBondContact O-N 3.11Å; G208-T210 VanDerWaalsContact C-N 3.33Å; G208-T210 PolarHBondContact O-N 2.86Å; G208-V211 PolarHBondContact O-N 3.36Å; G208-G212 PolarHBondContact O-N 3.08Å
209L87.1Confident84.2Confident82 Ų8283.5 Ų83.543%0.42942%0.423SS..Hα-helixtrans-63.1-40173.8-74168.9000111.6I205 G206 V207 T213 W227I205-L209 HydrophobicContact CG2-CD1 3.9Å; I205-L209 HydrophobicContact CG2-CG 4.35Å; I205-L209 WeakPolarHBondContact O-CB 3.43Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 2.92Å; G206-L209 PolarHBondContact O-N 2.91Å; V207-L209 PolarHBondContact O-N 3.47Å; L209-T213 VanDerWaalsContact O-CB 3.3Å; L209-T213 WeakPolarHBondContact O-CB 3.42Å; L209-T213 PolarHBondContact O-N 3.4Å; L209-T213 PolarHBondContact O-OG1 3.06Å; L209-W227 PolarHBondContact O-NE1 3.42Å
210T86.9Confident84.2Confident17 Ų1790 Ų9010%0.10445%0.448CS..Hα-helixtrans-65.9-42.6179.7-53.90000111.5G206 V207 G208 R214 W227 Y231G206-T210 WeakPolarHBondContact O-CB 3.4Å; G206-T210 PolarHBondContact O-N 3.42Å; G206-T210 PolarHBondContact O-OG1 3.38Å; V207-T210 PolarHBondContact O-N 3.42Å; V207-T210 VanDerWaalsContact O-N 3.15Å; G208-T210 VanDerWaalsContact C-N 3.33Å; G208-T210 PolarHBondContact O-N 2.86Å; T210-R214 VanDerWaalsContact O-CG 3.31Å; T210-R214 WeakPolarHBondContact O-CG 3.14Å; T210-R214 PolarHBondContact O-N 3.49Å; T210-W227 HydrophobicContact CG2-CD2 4.17Å; T210-W227 HydrophobicContact CG2-CE3 4.05Å; T210-W227 HydrophobicContact CG2-CH2 4.27Å; T210-W227 HydrophobicContact CG2-CZ2 4.37Å; T210-W227 HydrophobicContact CG2-CZ3 4.1Å; T210-Y231 WeakPolarHBondContact CB-OH 3.44Å; T210-Y231 WeakPolarHBondContact OG1-CE2 3.4Å; T210-Y231 PolarHBondContact OG1-OH 3.29Å
211V89.8Confident84Confident82 Ų8291.9 Ų91.950%0.49746%0.46SS..Hα-helixtrans-72.5-44.4178.8177.50000111.2V207 G208V207-V211 HydrophobicContact CG1-CG2 4.43Å; V207-V211 WeakPolarHBondContact O-CG2 3.27Å; V207-V211 PolarHBondContact O-N 2.81Å; G208-V211 PolarHBondContact O-N 3.36Å
212G86Confident83.7Confident67 Ų6790.7 Ų90.769%0.69147%0.465SS*.Hα-helixtrans-74.8-25.3-175.700000114.5G208G208-G212 PolarHBondContact O-N 3.08Å
213T87.8Confident83.7Confident39 Ų3989.9 Ų89.924%0.23946%0.459CS..THydrogen-bonded Turntrans-105.610.9-179.2-24.20000113.1L209 D215 F216 A217 T223L209-T213 VanDerWaalsContact O-CB 3.3Å; L209-T213 WeakPolarHBondContact O-CB 3.42Å; L209-T213 PolarHBondContact O-N 3.4Å; L209-T213 PolarHBondContact O-OG1 3.06Å; T213-D215 VanDerWaalsContact C-N 3.35Å; T213-D215 PolarHBondContact O-N 2.93Å; T213-F216 HydrophobicContact CG2-CB 3.66Å; T213-F216 PolarHBondContact O-N 3.49Å; T213-A217 PolarHBondContact O-N 2.9Å; T213-T223 HydrophobicContact CG2-CG2 3.56Å
214R80.6Confident83.7Confident147 Ų14792.7 Ų92.756%0.55547%0.466SS*.THydrogen-bonded Turntrans-57.9-42.4-175.5-120.9169.9-168.6157.42.6113.4T210 W227T210-R214 VanDerWaalsContact O-CG 3.31Å; T210-R214 WeakPolarHBondContact O-CG 3.14Å; T210-R214 PolarHBondContact O-N 3.49Å; R214-W227 HydrophobicContact CG-CH2 4.33Å
215D79.3Confident83.6Confident135 Ų13590.9 Ų90.972%0.72247%0.466SS*.THydrogen-bonded Turntrans-74.3-32.3179.2-64.2-64.1000112.3T213T213-D215 VanDerWaalsContact C-N 3.35Å; T213-D215 PolarHBondContact O-N 2.93Å
216F76.9Confident83.4Confident137 Ų13789.3 Ų89.360%0.60146%0.464SS*.G310 helixtrans-73.1-30.8176.9-112.4-93.7000113.1T213 R218 R219 Y220T213-F216 HydrophobicContact CG2-CB 3.66Å; T213-F216 PolarHBondContact O-N 3.49Å; F216-R218 PolarHBondContact O-N 3.26Å; F216-R219 PolarHBondContact O-N 2.95Å; F216-Y220 HydrophobicContact CD1-CD2 4.16Å; F216-Y220 HydrophobicContact CE1-CD2 4.42Å; F216-Y220 HydrophobicContact CE1-CE2 4.33Å; F216-Y220 PolarHBondContact O-N 3.39Å
217A73.5Confident83.4Confident0 Ų090.5 Ų90.50%047%0.468CS..G310 helixtrans-63.2-24-178.700000113.3T213 R219 T223 Y224 W227T213-A217 PolarHBondContact O-N 2.9Å; A217-R219 PolarHBondContact O-N 2.93Å; A217-T223 HydrophobicContact CB-CG2 3.98Å; A217-Y224 HydrophobicContact CB-CE1 4.34Å; A217-Y224 HydrophobicContact CB-CE2 4.08Å; A217-Y224 WeakPolarHBondContact O-CE2 3.29Å; A217-W227 HydrophobicContact CB-CH2 3.45Å; A217-W227 VanDerWaalsContact CB-CH2 3.45Å; A217-W227 HydrophobicContact CB-CZ2 3.83Å; A217-W227 HydrophobicContact CB-CZ3 4.15Å
218R74.3Confident83.4Confident215 Ų21590.3 Ų90.381%0.81147%0.473SS*.G310 helixtrans-69.3-21.4174.6-65.7-164-168.1-167.26.1113.3F216F216-R218 PolarHBondContact O-N 3.26Å
219R79.9Confident83.4Confident208 Ų20894.8 Ų94.879%0.78548%0.48SS*.THydrogen-bonded Turntrans-101.5-29.6-175.1-157.6163.5-165.8152.72.4112.9F216 A217F216-R219 PolarHBondContact O-N 2.95Å; A217-R219 PolarHBondContact O-N 2.93Å
220Y82.3Confident83.2Confident136 Ų13692 Ų9253%0.53347%0.47SS..  trans-129.3110.4179.9-65.4-82.1000110.8F216 A222 T223F216-Y220 HydrophobicContact CD1-CD2 4.16Å; F216-Y220 HydrophobicContact CE1-CD2 4.42Å; F216-Y220 HydrophobicContact CE1-CE2 4.33Å; F216-Y220 PolarHBondContact O-N 3.39Å; Y220-A222 PolarHBondContact O-N 3.2Å; Y220-A222 VanDerWaalsContact O-N 3.12Å; Y220-T223 WeakPolarHBondContact O-CB 3.32Å; Y220-T223 PolarHBondContact O-N 3.44Å; Y220-T223 VanDerWaalsContact O-N 3.12Å; Y220-T223 PolarHBondContact O-OG1 3.38Å
221N80.6Confident83.3Confident125 Ų12595.6 Ų95.667%0.66848%0.482SS*.THydrogen-bonded Turntrans-62.8-20.6178.6-66.2-35.4000113.3T223 Y224N221-T223 PolarHBondContact O-N 2.97Å; N221-Y224 PolarHBondContact O-N 2.94Å; N221-Y224 VanDerWaalsContact O-N 3.12Å
222A81.8Confident83.3Confident72 Ų7296.3 Ų96.360%0.59548%0.482SS*.Hα-helixtrans-58.8-25.9174.900000113Y220 Y224 V225 S226Y220-A222 PolarHBondContact O-N 3.2Å; Y220-A222 VanDerWaalsContact O-N 3.12Å; A222-Y224 VanDerWaalsContact C-N 3.33Å; A222-Y224 PolarHBondContact O-N 3.45Å; A222-V225 PolarHBondContact O-N 3.15Å; A222-S226 PolarHBondContact O-N 3.4Å; A222-S226 VanDerWaalsContact O-N 3.17Å
223T84.6Confident83.3Confident18 Ų1897 Ų9711%0.1147%0.47CS..Hα-helixtrans-67.7-31.4177.6-44.30000112.2T213 A217 Y220 N221 S226 W227T213-T223 HydrophobicContact CG2-CG2 3.56Å; A217-T223 HydrophobicContact CB-CG2 3.98Å; Y220-T223 WeakPolarHBondContact O-CB 3.32Å; Y220-T223 PolarHBondContact O-N 3.44Å; Y220-T223 VanDerWaalsContact O-N 3.12Å; Y220-T223 PolarHBondContact O-OG1 3.38Å; N221-T223 PolarHBondContact O-N 2.97Å; T223-S226 PolarHBondContact O-OG 3.3Å; T223-W227 HydrophobicContact CG2-CZ2 3.94Å; T223-W227 VanDerWaalsContact O-CG 3.26Å; T223-W227 PolarHBondContact O-N 3.43Å
224Y84.6Confident83.2Confident115 Ų11595.2 Ų95.245%0.45146%0.459SS..Hα-helixtrans-70.2-36.5174.1-68-75000112.1A217 N221 A222 S226 W227 A228A217-Y224 HydrophobicContact CB-CE1 4.34Å; A217-Y224 HydrophobicContact CB-CE2 4.08Å; A217-Y224 WeakPolarHBondContact O-CE2 3.29Å; N221-Y224 PolarHBondContact O-N 2.94Å; N221-Y224 VanDerWaalsContact O-N 3.12Å; A222-Y224 VanDerWaalsContact C-N 3.33Å; A222-Y224 PolarHBondContact O-N 3.45Å; Y224-S226 VanDerWaalsContact C-N 3.34Å; Y224-W227 AromaticContact CD1-CE3 3.8Å; Y224-W227 HydrophobicContact CD1-CE3 3.8Å; Y224-W227 AromaticContact CD1-CZ3 3.72Å; Y224-W227 HydrophobicContact CD1-CZ3 3.72Å; Y224-W227 HydrophobicContact CE1-CE3 4.19Å; Y224-W227 HydrophobicContact CE1-CH2 4.43Å; Y224-W227 AromaticContact CE1-CZ3 3.62Å; Y224-W227 HydrophobicContact CE1-CZ3 3.62Å; Y224-W227 PolarHBondContact O-N 3.23Å; Y224-A228 WeakPolarHBondContact O-CB 3.4Å; Y224-A228 PolarHBondContact O-N 2.85Å
225V86.5Confident83.4Confident103 Ų10392.9 Ų92.962%0.62446%0.457SS*.Hα-helixtrans-65.6-39.4177.9-177.20000110.6A222 A228 F229A222-V225 PolarHBondContact O-N 3.15Å; V225-A228 PolarHBondContact O-N 3.48Å; V225-F229 PolarHBondContact O-N 3.4Å
226S84.8Confident83.8Confident64 Ų6490.3 Ų90.345%0.44844%0.442SS..Hα-helixtrans-67.7-38.9176.970.90000112.5A222 T223 Y224 F229 A230A222-S226 PolarHBondContact O-N 3.4Å; A222-S226 VanDerWaalsContact O-N 3.17Å; T223-S226 PolarHBondContact O-OG 3.3Å; Y224-S226 VanDerWaalsContact C-N 3.34Å; S226-F229 PolarHBondContact O-N 3.38Å; S226-A230 WeakPolarHBondContact O-CB 3.34Å; S226-A230 PolarHBondContact O-N 3.02Å
227W86.6Confident84.1Confident28 Ų2885.3 Ų85.311%0.10642%0.424CS..Hα-helixtrans-62-47.4172.7-63.5-11.3000111.5L209 T210 R214 A217 T223 Y224 F229 A230 Y231L209-W227 PolarHBondContact O-NE1 3.42Å; T210-W227 HydrophobicContact CG2-CD2 4.17Å; T210-W227 HydrophobicContact CG2-CE3 4.05Å; T210-W227 HydrophobicContact CG2-CH2 4.27Å; T210-W227 HydrophobicContact CG2-CZ2 4.37Å; T210-W227 HydrophobicContact CG2-CZ3 4.1Å; R214-W227 HydrophobicContact CG-CH2 4.33Å; A217-W227 HydrophobicContact CB-CH2 3.45Å; A217-W227 VanDerWaalsContact CB-CH2 3.45Å; A217-W227 HydrophobicContact CB-CZ2 3.83Å; A217-W227 HydrophobicContact CB-CZ3 4.15Å; T223-W227 HydrophobicContact CG2-CZ2 3.94Å; T223-W227 VanDerWaalsContact O-CG 3.26Å; T223-W227 PolarHBondContact O-N 3.43Å; Y224-W227 AromaticContact CD1-CE3 3.8Å; Y224-W227 HydrophobicContact CD1-CE3 3.8Å; Y224-W227 AromaticContact CD1-CZ3 3.72Å; Y224-W227 HydrophobicContact CD1-CZ3 3.72Å; Y224-W227 HydrophobicContact CE1-CE3 4.19Å; Y224-W227 HydrophobicContact CE1-CH2 4.43Å; Y224-W227 AromaticContact CE1-CZ3 3.62Å; Y224-W227 HydrophobicContact CE1-CZ3 3.62Å; Y224-W227 PolarHBondContact O-N 3.23Å; W227-F229 VanDerWaalsContact C-N 3.3Å; W227-F229 PolarHBondContact O-N 2.86Å; W227-A230 PolarHBondContact O-N 3.33Å; W227-Y231 HydrophobicContact CB-CD2 4.4Å; W227-Y231 HydrophobicContact CB-CE2 4.31Å; W227-Y231 WeakPolarHBondContact O-CD2 3.47Å; W227-Y231 PolarHBondContact O-N 3.4Å
228A88.6Confident84.5Confident62 Ų6287.6 Ų87.651%0.51244%0.436SS..Hα-helixtrans-58-43.2178.200000111.6Y224 V225 L232Y224-A228 WeakPolarHBondContact O-CB 3.4Å; Y224-A228 PolarHBondContact O-N 2.85Å; V225-A228 PolarHBondContact O-N 3.48Å; A228-L232 WeakPolarHBondContact O-CB 3.34Å; A228-L232 PolarHBondContact O-N 2.89Å
229F88Confident84.9Confident138 Ų13882.3 Ų82.361%0.60542%0.422SS*.Hα-helixtrans-65.4-43.3176.8-170.9-96.1000112.5V225 S226 W227 L232 L233V225-F229 PolarHBondContact O-N 3.4Å; S226-F229 PolarHBondContact O-N 3.38Å; W227-F229 VanDerWaalsContact C-N 3.3Å; W227-F229 PolarHBondContact O-N 2.86Å; F229-L232 PolarHBondContact O-N 3.15Å; F229-L233 HydrophobicContact CE1-CD2 4.47Å; F229-L233 WeakPolarHBondContact O-CB 3.28Å; F229-L233 PolarHBondContact O-N 3.48Å
230A85Confident85Confident25 Ų2579.3 Ų79.321%0.20741%0.411CS..Hα-helixtrans-62.7-44.6178.400000112.2S226 W227 G234S226-A230 WeakPolarHBondContact O-CB 3.34Å; S226-A230 PolarHBondContact O-N 3.02Å; W227-A230 PolarHBondContact O-N 3.33Å; A230-G234 PolarHBondContact O-N 2.92Å
231Y86.9Confident84.7Confident92 Ų9272.9 Ų72.936%0.36139%0.386SS..Hα-helixtrans-68.4-39.3176.4-73.5-61.8000112.6G206 V207 T210 W227 G234 L235G206-Y231 PolarHBondContact O-OH 3Å; V207-Y231 HydrophobicContact CG2-CE1 4.37Å; T210-Y231 WeakPolarHBondContact CB-OH 3.44Å; T210-Y231 WeakPolarHBondContact OG1-CE2 3.4Å; T210-Y231 PolarHBondContact OG1-OH 3.29Å; W227-Y231 HydrophobicContact CB-CD2 4.4Å; W227-Y231 HydrophobicContact CB-CE2 4.31Å; W227-Y231 WeakPolarHBondContact O-CD2 3.47Å; W227-Y231 PolarHBondContact O-N 3.4Å; Y231-G234 PolarHBondContact O-N 3.49Å; Y231-L235 VanDerWaalsContact O-CB 3.32Å; Y231-L235 WeakPolarHBondContact O-CB 3.5Å; Y231-L235 PolarHBondContact O-N 2.85Å
232L90.2Very high84.5Confident96 Ų9671 Ų7150%0.50338%0.382SS..Hα-helixtrans-62.7-44.4176.6-175.768.6000111.3A228 F229 L235 I236A228-L232 WeakPolarHBondContact O-CB 3.34Å; A228-L232 PolarHBondContact O-N 2.89Å; F229-L232 PolarHBondContact O-N 3.15Å; L232-L235 PolarHBondContact O-N 2.89Å; L232-I236 HydrophobicContact CD1-CD1 4.46Å; L232-I236 HydrophobicContact CG-CD1 4.06Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.43Å; L232-I236 PolarHBondContact O-N 2.95Å
233L86.3Confident84.4Confident83 Ų8374.9 Ų74.944%0.43538%0.382SS..Hα-helixtrans-64.4-43.4177.4-16866.7000111.2F229 L235 I236 C237F229-L233 HydrophobicContact CE1-CD2 4.47Å; F229-L233 WeakPolarHBondContact O-CB 3.28Å; F229-L233 PolarHBondContact O-N 3.48Å; L233-L235 PolarHBondContact O-N 2.72Å; L233-I236 PolarHBondContact O-N 3.36Å; L233-C237 WeakPolarHBondContact O-CB 3.09Å; L233-C237 PolarHBondContact O-N 3.21Å; L233-C237 PolarHBondContact O-SG 2.94Å; L233-C237 VanDerWaalsContact O-SG 3.4Å
234G85.5Confident83.7Confident0 Ų079.1 Ų79.10%040%0.396CS..Hα-helixtrans-59.6-42.9173.800000113A230 Y231 C237 L238A230-G234 PolarHBondContact O-N 2.92Å; Y231-G234 PolarHBondContact O-N 3.49Å; G234-C237 PolarHBondContact O-N 3.47Å; G234-L238 PolarHBondContact O-N 3.39Å
235L86.3Confident82.7Confident98 Ų9876 Ų7651%0.51340%0.399SS..Hα-helixtrans-64-45.8177-173.675.4000111.8Y231 L232 L233 C237 L238 I239Y231-L235 VanDerWaalsContact O-CB 3.32Å; Y231-L235 WeakPolarHBondContact O-CB 3.5Å; Y231-L235 PolarHBondContact O-N 2.85Å; L232-L235 PolarHBondContact O-N 2.89Å; L233-L235 PolarHBondContact O-N 2.72Å; L235-C237 VanDerWaalsContact C-N 3.32Å; L235-C237 PolarHBondContact O-N 3.32Å; L235-L238 PolarHBondContact O-N 2.7Å; L235-I239 HydrophobicContact CD2-CD1 4.4Å; L235-I239 HydrophobicContact CG-CD1 3.97Å; L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.38Å; L235-I239 PolarHBondContact O-N 2.93Å
236I87.3Confident81.7Confident82 Ų8275 Ų7542%0.42140%0.402SS..Hα-helixtrans-61-43.5177.2-68.9165.9000110.4L232 L233 I239 R240L232-I236 HydrophobicContact CD1-CD1 4.46Å; L232-I236 HydrophobicContact CG-CD1 4.06Å; L232-I236 VanDerWaalsContact O-CG1 3.28Å; L232-I236 WeakPolarHBondContact O-CG1 3.43Å; L232-I236 PolarHBondContact O-N 2.95Å; L233-I236 PolarHBondContact O-N 3.36Å; I236-I239 PolarHBondContact O-N 2.86Å; I236-R240 WeakPolarHBondContact O-CG 3.33Å; I236-R240 PolarHBondContact O-N 3.43Å
237C82.3Confident81Confident31 Ų3174.6 Ų74.621%0.20939%0.394CS..Hα-helixtrans-60.9-44.1175.4-75.90000112L233 G234 L235 R240 A241L233-C237 WeakPolarHBondContact O-CB 3.09Å; L233-C237 PolarHBondContact O-N 3.21Å; L233-C237 PolarHBondContact O-SG 2.94Å; L233-C237 VanDerWaalsContact O-SG 3.4Å; G234-C237 PolarHBondContact O-N 3.47Å; L235-C237 VanDerWaalsContact C-N 3.32Å; L235-C237 PolarHBondContact O-N 3.32Å; C237-R240 PolarHBondContact O-N 3.43Å; C237-A241 WeakPolarHBondContact O-CB 3.2Å; C237-A241 PolarHBondContact O-N 2.93Å
238L81.7Confident79.8Confident49 Ų4979.4 Ų79.426%0.25742%0.416SS..Hα-helixtrans-63.6-44.2175.9-93.3178.2000112.9I203 G234 L235 R240 A241 C242I203-L238 HydrophobicContact CD1-CD1 3.39Å; I203-L238 HydrophobicContact CD1-CG 4.37Å; G234-L238 PolarHBondContact O-N 3.39Å; L235-L238 PolarHBondContact O-N 2.7Å; L238-R240 VanDerWaalsContact C-N 3.3Å; L238-R240 PolarHBondContact O-N 3.49Å; L238-A241 WeakPolarHBondContact O-CB 3.31Å; L238-A241 PolarHBondContact O-N 3.41Å; L238-A241 VanDerWaalsContact O-N 3.11Å; L238-C242 PolarHBondContact O-N 3.47Å; L238-C242 PolarHBondContact O-SG 3Å; L238-C242 VanDerWaalsContact O-SG 3.4Å
239I83.8Confident78.6Confident103 Ų10378.3 Ų78.353%0.52840%0.403SS..Hα-helixtrans-59.9-44178.1-69.7166000110.1L235 I236 C242 Y243L235-I239 HydrophobicContact CD2-CD1 4.4Å; L235-I239 HydrophobicContact CG-CD1 3.97Å; L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.38Å; L235-I239 PolarHBondContact O-N 2.93Å; I236-I239 PolarHBondContact O-N 2.86Å; I239-C242 PolarHBondContact O-N 2.98Å; I239-Y243 WeakPolarHBondContact O-CB 3.44Å; I239-Y243 PolarHBondContact O-N 3.36Å
240R82.1Confident77.3Confident145 Ų14571.8 Ų71.855%0.54737%0.374SS..Hα-helixtrans-63.4-43.4174.9-68.1-173.682.282.9-0.9110.9I236 C237 L238 C242 Y243 W244I236-R240 WeakPolarHBondContact O-CG 3.33Å; I236-R240 PolarHBondContact O-N 3.43Å; C237-R240 PolarHBondContact O-N 3.43Å; L238-R240 VanDerWaalsContact C-N 3.3Å; L238-R240 PolarHBondContact O-N 3.49Å; R240-C242 PolarHBondContact O-N 2.97Å; R240-Y243 WeakPolarHBondContact O-CB 3.46Å; R240-Y243 PolarHBondContact O-N 2.96Å; R240-W244 PolarHBondContact O-N 3.2Å
241A75.6Confident76.1Confident1 Ų177.5 Ų77.51%0.00839%0.391CS..Hα-helixtrans-59.4-45.9177.100000112.1I196 C237 L238 Y243 W244 G245I196-A241 HydrophobicContact CG1-CB 3.78Å; C237-A241 WeakPolarHBondContact O-CB 3.2Å; C237-A241 PolarHBondContact O-N 2.93Å; L238-A241 WeakPolarHBondContact O-CB 3.31Å; L238-A241 PolarHBondContact O-N 3.41Å; L238-A241 VanDerWaalsContact O-N 3.11Å; A241-Y243 PolarHBondContact O-N 3.17Å; A241-W244 PolarHBondContact O-N 2.76Å; A241-G245 PolarHBondContact O-N 2.96Å
242C76.9Confident74.8Confident86 Ų8674.1 Ų74.158%0.58138%0.38SS*.Hα-helixtrans-61.5-41.1174.6-71.40000112.2L238 I239 R240 W244 G245 A246L238-C242 PolarHBondContact O-N 3.47Å; L238-C242 PolarHBondContact O-SG 3Å; L238-C242 VanDerWaalsContact O-SG 3.4Å; I239-C242 PolarHBondContact O-N 2.98Å; R240-C242 PolarHBondContact O-N 2.97Å; C242-W244 PolarHBondContact O-N 3.41Å; C242-G245 PolarHBondContact O-N 3.39Å; C242-A246 VanDerWaalsContact O-CB 3.32Å; C242-A246 WeakPolarHBondContact O-CB 3.3Å; C242-A246 PolarHBondContact O-N 3.42Å
243Y78.5Confident73.4Confident153 Ų15374.1 Ų74.160%0.638%0.378SS*.Hα-helixtrans-59.7-46.2175.7175.5-94.4000111.9I239 R240 A241 G245 A246 I247I239-Y243 WeakPolarHBondContact O-CB 3.44Å; I239-Y243 PolarHBondContact O-N 3.36Å; R240-Y243 WeakPolarHBondContact O-CB 3.46Å; R240-Y243 PolarHBondContact O-N 2.96Å; A241-Y243 PolarHBondContact O-N 3.17Å; Y243-G245 VanDerWaalsContact C-N 3.35Å; Y243-A246 PolarHBondContact O-N 2.9Å; Y243-I247 HydrophobicContact CD1-CD1 4.38Å; Y243-I247 HydrophobicContact CE1-CD1 3.85Å; Y243-I247 PolarHBondContact O-N 3.17Å
244W69.4Low71.9Confident108 Ų10875.1 Ų75.141%0.40938%0.384SS..Hα-helixtrans-70.6-29.7176.8-70.6106.8000112.9C192 R240 A241 C242 I247C192-W244 HydrophobicContact CB-CB 4.49Å; R240-W244 PolarHBondContact O-N 3.2Å; A241-W244 PolarHBondContact O-N 2.76Å; C242-W244 PolarHBondContact O-N 3.41Å; W244-I247 HydrophobicContact CE3-CD1 4.08Å; W244-I247 HydrophobicContact CZ3-CD1 4.4Å
245G65Low70Confident50 Ų5080.7 Ų80.752%0.51542%0.422SS..Hα-helixtrans-73-30.9173.500000113.9A241 C242 Y243 I247A241-G245 PolarHBondContact O-N 2.96Å; C242-G245 PolarHBondContact O-N 3.39Å; Y243-G245 VanDerWaalsContact C-N 3.35Å; G245-I247 VanDerWaalsContact C-N 3.34Å
246A65.3Low68Low82 Ų8284.6 Ų84.668%0.67844%0.435SS*.Hα-helixtrans-79.1-16.3177.900000113.3C242 Y243 K248C242-A246 VanDerWaalsContact O-CB 3.32Å; C242-A246 WeakPolarHBondContact O-CB 3.3Å; C242-A246 PolarHBondContact O-N 3.42Å; Y243-A246 PolarHBondContact O-N 2.9Å; A246-K248 PolarHBondContact O-N 3.37Å
247I69.8Low65.4Low54 Ų5488.6 Ų88.628%0.27748%0.481SS..SBendtrans-65.7116.5171.8-77.6171.5000108.9Y243 W244 G245 V249Y243-I247 HydrophobicContact CD1-CD1 4.38Å; Y243-I247 HydrophobicContact CE1-CD1 3.85Å; Y243-I247 PolarHBondContact O-N 3.17Å; W244-I247 HydrophobicContact CE3-CD1 4.08Å; W244-I247 HydrophobicContact CZ3-CD1 4.4Å; G245-I247 VanDerWaalsContact C-N 3.34Å; I247-V249 PolarHBondContact O-N 3.28Å
248K61.4Low64.6Low130 Ų13091.5 Ų91.557%0.56550%0.495SS*.PPolyproline II helixtrans-63.8126.6172.9-88.1-177.6170.9178.60110.3A246A246-K248 PolarHBondContact O-N 3.37Å
249V62.9Low63.7Low39 Ų3993.7 Ų93.724%0.23651%0.507CS..EExtended strand (participates in β ladder)trans-88.3131176.3-178.50000108.8I247I247-V249 PolarHBondContact O-N 3.28Å
250S60.3Low62.6Low0 Ų093.2 Ų93.20%051%0.506CS..EExtended strand (participates in β ladder)trans-86.9131166.833.60000109.3V153 S181 S182V153-S250 WeakPolarHBondContact O-CA 3.33Å; V153-S250 WeakPolarHBondContact O-CB 3.36Å; S181-S250 WeakPolarHBondContact CB-OG 3.21Å; S182-S250 PolarHBondContact O-N 3.02Å; S182-S250 PolarHBondContact O-OG 3.21Å
251Y60.1Low61.4Low146 Ų14690.2 Ų90.257%0.57350%0.504SS*.EExtended strand (participates in β ladder)trans-93.1140-175.2-61.5-84.5000110.5V153V153-Y251 PolarHBondContact N-O 3.47Å; V153-Y251 PolarHBondContact O-N 3.12Å
252P60.2Low60.5Low20 Ų2095.8 Ų95.813%0.1354%0.535CS..EExtended strand (participates in β ladder)trans-61.6140.3164.627.9-31.7000108.7M150 N254M150-P252 HydrophobicContact CG-CB 4.13Å; M150-P252 HydrophobicContact SD-CB 3.74Å; P252-N254 PolarHBondContact O-N 3.04Å
253E60.6Low59.5Low96 Ų9696.4 Ų96.445%0.44953%0.532SS..  trans-71.488.7169.9-164.7167.6-162.900106.6R151 V153 T160 S255R151-E253 HydrophobicContact CB-CB 4.35Å; R151-E253 PolarHBondContact O-N 3.19Å; V153-E253 HydrophobicContact CG2-CB 4.19Å; T160-E253 WeakPolarHBondContact CG2-OE2 3.43Å; E253-S255 PolarHBondContact O-N 3.12Å
254N55.5Low58.1Low105 Ų10592.4 Ų92.456%0.56153%0.527SS*.  trans-68.8104167-72.811.4000105.4P252 F256P252-N254 PolarHBondContact O-N 3.04Å; N254-F256 HydrophobicContact CB-CD2 3.69Å; N254-F256 HydrophobicContact CB-CE2 3.54Å; N254-F256 HydrophobicContact CB-CZ 4.5Å; N254-F256 PolarHBondContact O-N 3.12Å
255S45.4Very low57.2Low116 Ų11691.2 Ų91.281%0.81154%0.536SS*.  trans-60.680.3166.2-52.70000108.6E253 A257E253-S255 PolarHBondContact O-N 3.12Å; S255-A257 VanDerWaalsContact C-N 3.32Å; S255-A257 PolarHBondContact O-N 3.27Å
256F43.1Very low56.6Low180 Ų18094.6 Ų94.679%0.78954%0.537SS*.  trans-76.896.4159.9-75.9-76.3000105.6N254N254-F256 HydrophobicContact CB-CD2 3.69Å; N254-F256 HydrophobicContact CB-CE2 3.54Å; N254-F256 HydrophobicContact CB-CZ 4.5Å; N254-F256 PolarHBondContact O-N 3.12Å
257A34.4Very low55.8Low167 Ų16795.7 Ų95.7100%1.3853%0.525SS*.  trans-60.30155.500000109.9S255S255-A257 VanDerWaalsContact C-N 3.32Å; S255-A257 PolarHBondContact O-N 3.27Å

Retrieved 257 of 257 residues in 293.6 ms (Link to these results)