A0A077Z9X5_TRITR Loading...

Transmembrane protein 106B

AlphaFold DB , UniProt , Accession A0A077Z9X5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 224 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
1M40.4Very low42.6Very low249 Ų249173.2 Ų173.2100%1.22786%0.857SS**  0128.20-92.3169.7171.200108
2R39.9Very low42.1Very low247 Ų247165.8 Ų165.893%0.93284%0.835SS**  trans-86.1120.4-149.8-174.3-178.6-86.4166.4-8.3112.2
3T40.6Very low42.1Very low138 Ų138163.3 Ų163.385%0.84783%0.826SS**  trans-94.6139163.339.90000109.1
4K46.4Very low42.2Very low167 Ų167160.1 Ų160.173%0.72681%0.812SS**  trans-150.5113165.6-145.1-173.7-168.4-135.60109.5D6K4-D6 VanDerWaalsContact CD-OD2 3.32Å; K4-D6 WeakPolarHBondContact CD-OD2 3.31Å; K4-D6 WeakPolarHBondContact CE-OD2 3.34Å; K4-D6 IonicContact NZ-OD2 2.66Å; K4-D6 PolarHBondContact NZ-OD2 3.32Å
5M44.1Very low41.9Very low187 Ų187159.9 Ų159.992%0.92181%0.807SS**  trans-116.8120.5161.1-84.1167.981.600104.9
6D46.9Very low42Very low115 Ų115159.6 Ų159.662%0.61581%0.806SS**  trans-125.7112.3173.1-66.1-45.3000107.6K4K4-D6 VanDerWaalsContact CD-OD2 3.32Å; K4-D6 WeakPolarHBondContact CD-OD2 3.31Å; K4-D6 WeakPolarHBondContact CE-OD2 3.34Å; K4-D6 IonicContact NZ-OD2 2.66Å; K4-D6 PolarHBondContact NZ-OD2 3.32Å
7D43Very low41.9Very low166 Ų166159.5 Ų159.589%0.88881%0.807SS**  trans-118.4123.9161-91.7-34.4000107.7
8K46.6Very low41.8Very low208 Ų208155.9 Ų155.990%0.90480%0.797SS**  trans-149.9113.9167.6-103-179.7-174-73.90109.3
9L39Very low41.6Very low164 Ų164153.5 Ų153.586%0.85980%0.795SS**  trans-83.6156.3154.7-160.676.2000108.4
10P40.9Very low41.7Very low103 Ų103150.4 Ų150.467%0.66979%0.787SS**  -156.9170.399.537.8-17000116.5
11L40.3Very low41.8Very low161 Ų161152.1 Ų152.184%0.84379%0.791SS**  trans35.3151.9142.6-92.586.2000120.8
12S37.2Very low41.8Very low84 Ų84145.2 Ų145.259%0.58777%0.768SS**  cis173.8172.13.4-171.80000107.5
13N42.1Very low41.7Very low134 Ų134139.9 Ų139.972%0.71776%0.762SS**  trans81.2145.2159.2-56.7-4.5000117
14N43.3Very low41.8Very low118 Ų118139.8 Ų139.863%0.63176%0.761SS**  cis-164.2141.42.8-106.210.9000106.8
15E38.1Very low41.3Very low158 Ų158135.8 Ų135.874%0.73876%0.76SS**  72.5121.799.9-133.6-175.3152.700113.6
16I43Very low41Very low154 Ų154131.9 Ų131.979%0.7975%0.751SS**  178.2147.380.8-78.5157.1000110.6
17L40.1Very low40.6Very low158 Ų158133 Ų13383%0.82776%0.762SS**  trans-81.3-158.4177.8-146.261.1000111.4
18P40.9Very low40.5Very low95 Ų95132.8 Ų132.862%0.61776%0.76SS**  cis-146.8176.5-12.434.7-11000119.8
19S37Very low40.2Very low110 Ų110131.7 Ų131.777%0.76976%0.758SS**  trans66.6147.2141.161.70000119.7
20S44.6Very low40.6Very low92 Ų92129 Ų12964%0.64375%0.75SS**  cis-166.4154.432.344.80000112.6
21E43.1Very low40.7Very low186 Ų186133.3 Ų133.387%0.86976%0.759SS**  trans62.4140.5145.2-67.7168.613500119.9
22S40.2Very low40.5Very low104 Ų104133.1 Ų133.173%0.72775%0.754SS**  cis-164135.926.951.30000113.3
23V38.5Very low40.7Very low135 Ų135137.4 Ų137.482%0.81876%0.758SS**  trans39119.3131-161.40000120.4
24V42.1Very low41.1Very low136 Ų136136.3 Ų136.382%0.82475%0.749SS**  170.9134.5105.3168.80000110.5
25A36.4Very low41.4Very low84 Ų84139.5 Ų139.569%0.69476%0.76SS**  trans-69.2158.6-17400000116
26S39.1Very low42Very low105 Ų105140.2 Ų140.273%0.73477%0.768SS**  173121.6115.6-67.40000112.9
27T37.6Very low42.4Very low138 Ų138138 Ų13885%0.84776%0.755SS**  trans59106.8141.657.70000121.4
28D41.2Very low43.1Very low161 Ų161134.1 Ų134.186%0.86175%0.754SS**  -173.8133.2116.9-148.4-0.5000110.1P30D28-P30 WeakPolarHBondContact O-CD 3.44Å
29H40.2Very low44.1Very low186 Ų186131 Ų13186%0.86174%0.739SS**  trans-105.9106.7-176.2-109.7-61.9000110.7
30P46.8Very low45.6Very low106 Ų106127.6 Ų127.669%0.68872%0.715SS**  trans-99.4135.8159.631.8-22.8000110.4D28 Q32D28-P30 WeakPolarHBondContact O-CD 3.44Å; P30-Q32 PolarHBondContact O-N 3.24Å
31F42.8Very low46.9Very low195 Ų195124.8 Ų124.886%0.85569%0.694SS**  trans-44.6119.9-178.7-61.8-91.1000113.7Y33F31-Y33 WeakPolarHBondContact O-CD1 3.15Å; F31-Y33 PolarHBondContact O-N 3.36Å
32Q35.7Very low48.3Very low156 Ų156120.4 Ų120.473%0.72968%0.682SS**  trans-81103.4-176.1-165.2165.117.800110.5P30 E34P30-Q32 PolarHBondContact O-N 3.24Å; Q32-E34 VanDerWaalsContact C-N 3.27Å; Q32-E34 HydrophobicContact CG-CB 3.88Å; Q32-E34 VanDerWaalsContact CG-OE2 3.31Å; Q32-E34 WeakPolarHBondContact CG-OE2 3.12Å
33Y42.6Very low49.7Very low175 Ų175116.2 Ų116.269%0.68665%0.652SS**  trans-89.69.9169.450.6-92.9000112F31 E35F31-Y33 WeakPolarHBondContact O-CD1 3.15Å; F31-Y33 PolarHBondContact O-N 3.36Å; Y33-E35 PolarHBondContact O-N 2.74Å
34E50.2Low51.3Low110 Ų110115.3 Ų115.351%0.51465%0.649SS.*G310 helixtrans-67-11.2179.9-88.787.3175.500115.5Q32Q32-E34 VanDerWaalsContact C-N 3.27Å; Q32-E34 HydrophobicContact CG-CB 3.88Å; Q32-E34 VanDerWaalsContact CG-OE2 3.31Å; Q32-E34 WeakPolarHBondContact CG-OE2 3.12Å
35E49.4Very low52.9Low185 Ų185114.3 Ų114.386%0.86465%0.648SS**G310 helixtrans-83.4-7-178.5-67.9-132.9147.400115.4Y33Y33-E35 PolarHBondContact O-N 2.74Å
36L51.3Low54.6Low173 Ų173112.9 Ų112.991%0.90663%0.633SS**G310 helixtrans-95.21.5173.6-142.176.7000113.7
37M51.2Low56.1Low107 Ų107115.4 Ų115.453%0.52764%0.638SS.*SBendtrans-101.9-0.8-176.3-69.4-106.4-163.800113.7G39 R51M37-G39 PolarHBondContact O-N 3.46Å; M37-G39 VanDerWaalsContact O-N 3.14Å; M37-R51 PolarHBondContact SD-NH1 3.14Å
38G54.2Low57.5Low78 Ų78111.3 Ų111.380%0.80462%0.623SS**THydrogen-bonded Turntrans-74.25.3-17900000116
39G61.6Low58.8Low28 Ų28109.8 Ų109.829%0.28962%0.62SS.*THydrogen-bonded Turntrans-143.225.8-169.800000115.5M37 K54M37-G39 PolarHBondContact O-N 3.46Å; M37-G39 VanDerWaalsContact O-N 3.14Å; G39-K54 WeakPolarHBondContact O-CA 3.49Å; G39-K54 WeakPolarHBondContact O-CB 3.24Å; G39-K54 WeakPolarHBondContact O-CG 3.28Å; G39-K54 PolarHBondContact O-N 2.89Å
40S68.3Low60.5Low40 Ų40101.9 Ų101.928%0.2859%0.589SS.*EExtended strand (participates in β ladder)trans-112.8132.7178.268.50000112.9I52S40-I52 CarbonylContact C-O 3.51Å; S40-I52 VanDerWaalsContact CA-O 3.24Å; S40-I52 WeakPolarHBondContact CA-O 2.96Å
41V71.5Confident61.7Low32 Ų32105.5 Ų105.519%0.19459%0.589CS.*EExtended strand (participates in β ladder)trans-97.7144.3173-650000110.4C43 I52 K54V41-C43 PolarHBondContact O-N 2.86Å; V41-I52 HydrophobicContact CG2-CB 4.13Å; V41-I52 PolarHBondContact N-O 2.95Å; V41-I52 PolarHBondContact O-N 2.64Å; V41-K54 HydrophobicContact CG1-CG 4.15Å
42P72.8Confident63Low94 Ų9497.6 Ų97.661%0.6156%0.555SS**EExtended strand (participates in β ladder)trans-64.2134.4175.626.1-32.7000110.5P44P42-P44 VanDerWaalsContact O-CD 3.28Å; P42-P44 WeakPolarHBondContact O-CD 3.33Å
43C70.3Confident64.8Low17 Ų1793.1 Ų93.112%0.11554%0.54CS..PPolyproline II helixtrans-72.5116.9177.3-178.80000110.3V41 S45 C46 G50 I52V41-C43 PolarHBondContact O-N 2.86Å; C43-S45 PolarHBondContact O-N 3.34Å; C43-C46 HydrophobicContact CB-CB 4.02Å; C43-C46 PolarHBondContact O-N 2.89Å; C43-G50 WeakPolarHBondContact CB-O 3.48Å; C43-G50 PolarHBondContact N-O 2.85Å; C43-I52 HydrophobicContact CB-CD1 3.63Å; C43-I52 HydrophobicContact CB-CG1 3.86Å
44P72.6Confident65.8Low116 Ų11690.1 Ų90.175%0.75353%0.53SS*.G310 helixtrans-66.2-27.4178.325.6-32.5000112.4P42 C46P42-P44 VanDerWaalsContact O-CD 3.28Å; P42-P44 WeakPolarHBondContact O-CD 3.33Å; P44-C46 VanDerWaalsContact C-N 3.34Å; P44-C46 PolarHBondContact O-N 3.48Å
45S74.8Confident66.4Low114 Ų11493.1 Ų93.180%0.79754%0.544SS*.G310 helixtrans-75.3-20.3178.8-54.60000113.9C43C43-S45 PolarHBondContact O-N 3.34Å
46C73Confident66.9Low55 Ų5589.7 Ų89.737%0.37253%0.528SS..G310 helixtrans-100.617.5-177.9-61.10000112.7C43 P44 G48 T49C43-C46 HydrophobicContact CB-CB 4.02Å; C43-C46 PolarHBondContact O-N 2.89Å; P44-C46 VanDerWaalsContact C-N 3.34Å; P44-C46 PolarHBondContact O-N 3.48Å; C46-G48 PolarHBondContact O-N 3.16Å; C46-G48 VanDerWaalsContact O-N 3.1Å; C46-T49 WeakPolarHBondContact O-CB 3.49Å; C46-T49 PolarHBondContact O-N 3.1Å; C46-T49 PolarHBondContact O-OG1 3.41Å
47N70.5Confident67.2Low157 Ų15786 Ų8684%0.8451%0.506SS*.THydrogen-bonded Turntrans50.837.4-177.7-16035.1000112.9T49N47-T49 VanDerWaalsContact C-N 3.34Å; N47-T49 PolarHBondContact O-N 3.07Å
48G67.5Low67.5Low53 Ų5390 Ų9055%0.54652%0.52SS..THydrogen-bonded Turntrans80.6-0.2-179.200000116.3C46C46-G48 PolarHBondContact O-N 3.16Å; C46-G48 VanDerWaalsContact O-N 3.1Å
49T68.6Low67.8Low128 Ų12893.9 Ų93.979%0.78552%0.518SS*.SBendtrans-83.6-18.3179.359.70000114.2C46 N47C46-T49 WeakPolarHBondContact O-CB 3.49Å; C46-T49 PolarHBondContact O-N 3.1Å; C46-T49 PolarHBondContact O-OG1 3.41Å; N47-T49 VanDerWaalsContact C-N 3.34Å; N47-T49 PolarHBondContact O-N 3.07Å
50G74Confident67.6Low20 Ų2097.9 Ų97.921%0.20653%0.532CS..  trans-104.7150.8177.800000112.4C43C43-G50 WeakPolarHBondContact CB-O 3.48Å; C43-G50 PolarHBondContact N-O 2.85Å
51R73.8Confident67.3Low182 Ų182101 Ų10169%0.68755%0.549SS*.EExtended strand (participates in β ladder)trans-120.2133.8173.2-72.3-173.9169.2168.4-1109.9M37M37-R51 PolarHBondContact SD-NH1 3.14Å
52I70.1Confident67.2Low30 Ų30103.7 Ų103.715%0.15458%0.575CS.*EExtended strand (participates in β ladder)trans-110.7126.9-179.9-57.5158.4000108.1S40 V41 C43 Q56 L60S40-I52 CarbonylContact C-O 3.51Å; S40-I52 VanDerWaalsContact CA-O 3.24Å; S40-I52 WeakPolarHBondContact CA-O 2.96Å; V41-I52 HydrophobicContact CG2-CB 4.13Å; V41-I52 PolarHBondContact N-O 2.95Å; V41-I52 PolarHBondContact O-N 2.64Å; C43-I52 HydrophobicContact CB-CD1 3.63Å; C43-I52 HydrophobicContact CB-CG1 3.86Å; I52-Q56 HydrophobicContact CG2-CB 4.44Å; I52-L60 HydrophobicContact CG2-CD1 4.22Å
53P72Confident66.9Low62 Ų62106.6 Ų106.640%0.40358%0.584SS.*EExtended strand (participates in β ladder)trans-66.1133.3174.626.1-31.7000110.8E55 Q56P53-E55 PolarHBondContact O-N 3.07Å; P53-E55 VanDerWaalsContact O-N 3.07Å; P53-Q56 HydrophobicContact CG-CB 4.32Å; P53-Q56 HydrophobicContact CG-CG 4.04Å; P53-Q56 PolarHBondContact O-N 3.39Å
54K64.1Low66.8Low111 Ų111111.4 Ų111.448%0.48361%0.607SS.*Hα-helixtrans-55.6-25.1-179.3-86.3-176.2176.9-178.30113.5G39 V41 Q56 E57G39-K54 WeakPolarHBondContact O-CA 3.49Å; G39-K54 WeakPolarHBondContact O-CB 3.24Å; G39-K54 WeakPolarHBondContact O-CG 3.28Å; G39-K54 PolarHBondContact O-N 2.89Å; V41-K54 HydrophobicContact CG1-CG 4.15Å; K54-Q56 PolarHBondContact O-N 3.31Å; K54-E57 WeakPolarHBondContact O-CB 3.32Å; K54-E57 PolarHBondContact O-N 3.35Å; K54-E57 VanDerWaalsContact O-N 3.16Å
55E63.7Low66.6Low173 Ų173109.3 Ų109.381%0.80859%0.594SS**Hα-helixtrans-64.4-28.1174.9-151.364.2-153.500112.2P53P53-E55 PolarHBondContact O-N 3.07Å; P53-E55 VanDerWaalsContact O-N 3.07Å
56Q59.2Low66.3Low113 Ų113112.8 Ų112.853%0.52860%0.603SS.*Hα-helixtrans-91.8-8.5176.2-66-172.8-18.800113.1I52 P53 K54 K58 Q59 L60I52-Q56 HydrophobicContact CG2-CB 4.44Å; P53-Q56 HydrophobicContact CG-CB 4.32Å; P53-Q56 HydrophobicContact CG-CG 4.04Å; P53-Q56 PolarHBondContact O-N 3.39Å; K54-Q56 PolarHBondContact O-N 3.31Å; Q56-K58 VanDerWaalsContact C-N 3.3Å; Q56-K58 PolarHBondContact O-N 3.28Å; Q56-Q59 PolarHBondContact O-N 3.34Å; Q56-Q59 VanDerWaalsContact O-N 3.07Å; Q56-L60 PolarHBondContact O-N 3.32Å
57E58.2Low66Low95 Ų95116.1 Ų116.144%0.44462%0.622SS.*Hα-helixtrans-65.2-35-178.9-163175.6-163.700111.9K54 Q59 L60K54-E57 WeakPolarHBondContact O-CB 3.32Å; K54-E57 PolarHBondContact O-N 3.35Å; K54-E57 VanDerWaalsContact O-N 3.16Å; E57-Q59 PolarHBondContact O-N 2.84Å; E57-L60 HydrophobicContact CB-CD1 4.49Å; E57-L60 HydrophobicContact CG-CD1 4.38Å; E57-L60 PolarHBondContact O-N 3.49Å
58K57.3Low66.1Low191 Ų191110.8 Ų110.883%0.8359%0.593SS**THydrogen-bonded Turntrans-72.1-14.9175.3-65.7179-176.4170.10113.8Q56Q56-K58 VanDerWaalsContact C-N 3.3Å; Q56-K58 PolarHBondContact O-N 3.28Å
59Q59.3Low66Low161 Ų161117.4 Ų117.475%0.75261%0.607SS**THydrogen-bonded Turntrans-98.6-4.7177-162.4170.64.200112.5Q56 E57 V61Q56-Q59 PolarHBondContact O-N 3.34Å; Q56-Q59 VanDerWaalsContact O-N 3.07Å; E57-Q59 PolarHBondContact O-N 2.84Å; Q59-V61 PolarHBondContact O-N 2.98Å
60L57.9Low65.8Low111 Ų111121.8 Ų121.858%0.58161%0.609SS**  trans-75.856170-64.4158.6000110.2I52 Q56 E57 A62I52-L60 HydrophobicContact CG2-CD1 4.22Å; Q56-L60 PolarHBondContact O-N 3.32Å; E57-L60 HydrophobicContact CB-CD1 4.49Å; E57-L60 HydrophobicContact CG-CD1 4.38Å; E57-L60 PolarHBondContact O-N 3.49Å; L60-A62 PolarHBondContact O-N 3.35Å
61V61.6Low65.3Low106 Ų106125.9 Ų125.964%0.64263%0.625SS**  trans-67.2122.1159.8177.70000105.7Q59 L63Q59-V61 PolarHBondContact O-N 2.98Å; V61-L63 PolarHBondContact O-N 2.66Å
62A70.4Confident65.1Low88 Ų88123.1 Ų123.173%0.72762%0.619SS**  trans-63.388173.600000109.2L60 I64L60-A62 PolarHBondContact O-N 3.35Å; A62-I64 VanDerWaalsContact C-N 3.32Å; A62-I64 PolarHBondContact O-N 2.73Å
63L66.6Low65.1Low156 Ų156125.6 Ų125.682%0.81764%0.637SS**  trans-69.295.1168-69.5167.3000106.3V61 P65V61-L63 PolarHBondContact O-N 2.66Å; L63-P65 VanDerWaalsContact O-CD 3.23Å; L63-P65 WeakPolarHBondContact O-CD 3.23Å
64I68.1Low65.4Low117 Ų117133.5 Ų133.560%0.666%0.658SS**  trans-68113.2170.2-62.8164.2000105.9A62 L66 D68 L71A62-I64 VanDerWaalsContact C-N 3.32Å; A62-I64 PolarHBondContact O-N 2.73Å; I64-L66 PolarHBondContact O-N 3.31Å; I64-D68 HydrophobicContact CG2-CB 4.41Å; I64-L71 HydrophobicContact CG2-CD1 4.06Å
65P69.1Low66.2Low73 Ų73135.7 Ų135.747%0.47466%0.663SS.*  trans-61.3133.9-179.822.8-28.3000108.7L63 T67 D68L63-P65 VanDerWaalsContact O-CD 3.23Å; L63-P65 WeakPolarHBondContact O-CD 3.23Å; P65-T67 PolarHBondContact O-N 2.91Å; P65-D68 HydrophobicContact CG-CB 4.08Å; P65-D68 WeakPolarHBondContact O-CB 3.45Å; P65-D68 PolarHBondContact O-N 3.05Å
66L66.7Low67.2Low187 Ų187131.2 Ų131.298%0.97965%0.648SS**THydrogen-bonded Turntrans-54.9-18.3176.8-108.674.6000112.7I64I64-L66 PolarHBondContact O-N 3.31Å
67T67.7Low68.4Low125 Ų125130.3 Ų130.377%0.76765%0.651SS**THydrogen-bonded Turntrans-101.914.9179.255.10000114P65 K69P65-T67 PolarHBondContact O-N 2.91Å; T67-K69 PolarHBondContact O-N 2.92Å
68D72.1Confident69.9Low45 Ų45130.8 Ų130.824%0.24166%0.655CS.*  trans-59.4112.5177.4-171.2-5.6000110.9I64 P65 R70 L71I64-D68 HydrophobicContact CG2-CB 4.41Å; P65-D68 HydrophobicContact CG-CB 4.08Å; P65-D68 WeakPolarHBondContact O-CB 3.45Å; P65-D68 PolarHBondContact O-N 3.05Å; D68-R70 PolarHBondContact O-N 2.93Å; D68-R70 VanDerWaalsContact O-N 3.11Å; D68-R70 WeakPolarHBondContact OD1-CB 3.33Å; D68-R70 WeakPolarHBondContact OD1-CG 3.42Å; D68-R70 PolarHBondContact OD1-N 3.05Å; D68-L71 HydrophobicContact CB-CD1 3.98Å; D68-L71 WeakPolarHBondContact O-CB 3.48Å; D68-L71 PolarHBondContact O-N 2.91Å
69K65.8Low71.5Confident192 Ų192129.7 Ų129.784%0.83565%0.646SS**THydrogen-bonded Turntrans-61.4-18.8178.3-69.5-176.3179.4175.70112.8T67 L71T67-K69 PolarHBondContact O-N 2.92Å; K69-L71 VanDerWaalsContact C-N 3.34Å
70R65Low73.1Confident219 Ų219126 Ų12683%0.82664%0.635SS**THydrogen-bonded Turntrans-67.8-34174.4-66.6-179.669.8-162.91.8111.8D68 K72D68-R70 PolarHBondContact O-N 2.93Å; D68-R70 VanDerWaalsContact O-N 3.11Å; D68-R70 WeakPolarHBondContact OD1-CB 3.33Å; D68-R70 WeakPolarHBondContact OD1-CG 3.42Å; D68-R70 PolarHBondContact OD1-N 3.05Å; R70-K72 PolarHBondContact O-N 3.11Å
71L62.5Low74.8Confident106 Ų106126.8 Ų126.856%0.55563%0.634SS**SBendtrans-72.586.2164.1-81.583.7000106.2I64 D68 K69 P73I64-L71 HydrophobicContact CG2-CD1 4.06Å; D68-L71 HydrophobicContact CB-CD1 3.98Å; D68-L71 WeakPolarHBondContact O-CB 3.48Å; D68-L71 PolarHBondContact O-N 2.91Å; K69-L71 VanDerWaalsContact C-N 3.34Å; L71-P73 VanDerWaalsContact C-N 3.29Å; L71-P73 WeakPolarHBondContact O-CA 2.79Å; L71-P73 WeakPolarHBondContact O-CD 3.39Å; L71-P73 VanDerWaalsContact O-CG 3.3Å; L71-P73 WeakPolarHBondContact O-CG 3.3Å
72K68.9Low76.4Confident125 Ų125124.6 Ų124.654%0.54362%0.62SS.*  trans-52.884.2179.2-72176.8177.5172.70110.4R70 R74 R75 T76R70-K72 PolarHBondContact O-N 3.11Å; K72-R74 PolarHBondContact O-N 3.26Å; K72-R75 HydrophobicContact CB-CB 4.18Å; K72-R75 PolarHBondContact O-N 3.17Å; K72-T76 PolarHBondContact O-N 3.3Å; K72-T76 PolarHBondContact O-OG1 2.86Å
73P71.7Confident77.6Confident82 Ų82123.2 Ų123.253%0.53261%0.609SS.*Hα-helixtrans-74.7-39.8-153.416.8-9.8000108.2L71 R75 T76 T77L71-P73 VanDerWaalsContact C-N 3.29Å; L71-P73 WeakPolarHBondContact O-CA 2.79Å; L71-P73 WeakPolarHBondContact O-CD 3.39Å; L71-P73 VanDerWaalsContact O-CG 3.3Å; L71-P73 WeakPolarHBondContact O-CG 3.3Å; P73-R75 VanDerWaalsContact C-N 3.31Å; P73-R75 PolarHBondContact O-N 3.39Å; P73-T76 PolarHBondContact O-N 2.99Å; P73-T77 WeakPolarHBondContact O-CB 3.3Å; P73-T77 PolarHBondContact O-N 2.77Å; P73-T77 PolarHBondContact O-OG1 2.68Å
74R77.9Confident79.1Confident227 Ų227119.2 Ų119.286%0.85759%0.591SS**Hα-helixtrans-57.7-37.8174.2-166.5174.4178.6172.60.1113.8K72 L78K72-R74 PolarHBondContact O-N 3.26Å; R74-L78 WeakPolarHBondContact O-CB 3.21Å; R74-L78 PolarHBondContact O-N 3.46Å
75R81.2Confident80.5Confident157 Ų157117.7 Ų117.759%0.59258%0.584SS**Hα-helixtrans-75.8-48178.8-173.7-178.8-75.6-169-3.6110K72 P73 L78 W79K72-R75 HydrophobicContact CB-CB 4.18Å; K72-R75 PolarHBondContact O-N 3.17Å; P73-R75 VanDerWaalsContact C-N 3.31Å; P73-R75 PolarHBondContact O-N 3.39Å; R75-L78 PolarHBondContact O-N 2.87Å; R75-W79 PolarHBondContact O-N 3.31Å
76T84.2Confident81.8Confident80 Ų80118 Ų11849%0.49158%0.583SS.*Hα-helixtrans-62.8-44.5179.2-52.40000111.7K72 P73 L78 W79 V80K72-T76 PolarHBondContact O-N 3.3Å; K72-T76 PolarHBondContact O-OG1 2.86Å; P73-T76 PolarHBondContact O-N 2.99Å; T76-L78 VanDerWaalsContact C-N 3.32Å; T76-L78 PolarHBondContact O-N 3.03Å; T76-W79 PolarHBondContact O-N 3.27Å; T76-V80 HydrophobicContact CG2-CG2 4.42Å; T76-V80 VanDerWaalsContact O-CG2 3.3Å; T76-V80 WeakPolarHBondContact O-CG2 3.34Å; T76-V80 PolarHBondContact O-N 3.33Å
77T84.5Confident83.3Confident94 Ų94112.2 Ų112.258%0.57756%0.559SS**Hα-helixtrans-59.7-40.5175.7-59.20000111.8P73 V80 F81P73-T77 WeakPolarHBondContact O-CB 3.3Å; P73-T77 PolarHBondContact O-N 2.77Å; P73-T77 PolarHBondContact O-OG1 2.68Å; T77-V80 PolarHBondContact O-N 2.93Å; T77-F81 WeakPolarHBondContact O-CB 3.29Å; T77-F81 PolarHBondContact O-N 3.44Å
78L89.4Confident84.7Confident104 Ų104110.7 Ų110.755%0.54555%0.546SS..Hα-helixtrans-63.9-43.9174.9-177.2144.9000111.8R74 R75 T76 F81 V82R74-L78 WeakPolarHBondContact O-CB 3.21Å; R74-L78 PolarHBondContact O-N 3.46Å; R75-L78 PolarHBondContact O-N 2.87Å; T76-L78 VanDerWaalsContact C-N 3.32Å; T76-L78 PolarHBondContact O-N 3.03Å; L78-F81 PolarHBondContact O-N 3.46Å; L78-V82 HydrophobicContact CD2-CG2 4.18Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.43Å; L78-V82 PolarHBondContact O-N 3.25Å
79W90.5Very high85.9Confident168 Ų168111.4 Ų111.464%0.63656%0.558SS**Hα-helixtrans-62.6-41.9175.4-73.8114.5000112.6R75 T76 V82 A83R75-W79 PolarHBondContact O-N 3.31Å; T76-W79 PolarHBondContact O-N 3.27Å; W79-V82 PolarHBondContact O-N 2.87Å; W79-A83 WeakPolarHBondContact O-CB 3.41Å; W79-A83 PolarHBondContact O-N 3.4Å
80V92.9Very high87.3Confident84 Ų84107 Ų10751%0.50954%0.542SS..Hα-helixtrans-62.2-45.5175.8172.40000110.3T76 T77 V82 A83 V84T76-V80 HydrophobicContact CG2-CG2 4.42Å; T76-V80 VanDerWaalsContact O-CG2 3.3Å; T76-V80 WeakPolarHBondContact O-CG2 3.34Å; T76-V80 PolarHBondContact O-N 3.33Å; T77-V80 PolarHBondContact O-N 2.93Å; V80-V82 PolarHBondContact O-N 3.48Å; V80-A83 PolarHBondContact O-N 2.9Å; V80-V84 WeakPolarHBondContact O-CG2 3.37Å; V80-V84 PolarHBondContact O-N 3.3Å
81F93.6Very high88.8Confident128 Ų128104.3 Ų104.356%0.56153%0.532SS*.Hα-helixtrans-61.3-44.8177.1-176.3-103.5000112.2T77 L78 A83 V84 L85T77-F81 WeakPolarHBondContact O-CB 3.29Å; T77-F81 PolarHBondContact O-N 3.44Å; L78-F81 PolarHBondContact O-N 3.46Å; F81-A83 PolarHBondContact O-N 3.4Å; F81-V84 PolarHBondContact O-N 2.93Å; F81-L85 HydrophobicContact CD1-CD1 3.84Å; F81-L85 HydrophobicContact CD1-CG 4.32Å; F81-L85 HydrophobicContact CE1-CD1 3.33Å; F81-L85 HydrophobicContact CE1-CG 3.98Å; F81-L85 HydrophobicContact CZ-CD1 3.84Å; F81-L85 HydrophobicContact CZ-CD2 4.28Å; F81-L85 HydrophobicContact CZ-CG 4.12Å; F81-L85 WeakPolarHBondContact O-CG 3.42Å; F81-L85 PolarHBondContact O-N 2.93Å
82V95.9Very high90.3Very high59 Ų59101.6 Ų101.636%0.35853%0.526SS..Hα-helixtrans-61.1-43.7174.8170.70000111.1L78 W79 V80 V84 L85 V86L78-V82 HydrophobicContact CD2-CG2 4.18Å; L78-V82 VanDerWaalsContact O-CG2 3.29Å; L78-V82 WeakPolarHBondContact O-CG2 3.43Å; L78-V82 PolarHBondContact O-N 3.25Å; W79-V82 PolarHBondContact O-N 2.87Å; V80-V82 PolarHBondContact O-N 3.48Å; V82-V84 VanDerWaalsContact C-N 3.34Å; V82-V84 PolarHBondContact O-N 2.88Å; V82-L85 PolarHBondContact O-N 3.49Å; V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CB 3.28Å; V82-V86 VanDerWaalsContact O-CG2 3.3Å; V82-V86 WeakPolarHBondContact O-CG2 3.28Å; V82-V86 PolarHBondContact O-N 3.28Å
83A96.3Very high91.5Very high60 Ų60100.3 Ų100.350%0.49652%0.524SS..Hα-helixtrans-61.1-43177.400000111.9W79 V80 F81 V86 S87W79-A83 WeakPolarHBondContact O-CB 3.41Å; W79-A83 PolarHBondContact O-N 3.4Å; V80-A83 PolarHBondContact O-N 2.9Å; F81-A83 PolarHBondContact O-N 3.4Å; A83-V86 PolarHBondContact O-N 3.06Å; A83-S87 WeakPolarHBondContact O-CB 3.3Å; A83-S87 PolarHBondContact O-N 3.33Å; A83-S87 PolarHBondContact O-OG 3.06Å
84V97.3Very high92.3Very high71 Ų7199.4 Ų99.443%0.4352%0.519SS..Hα-helixtrans-61.3-48.5174.6172.70000110.6V80 F81 V82 V86 S87 L88V80-V84 WeakPolarHBondContact O-CG2 3.37Å; V80-V84 PolarHBondContact O-N 3.3Å; F81-V84 PolarHBondContact O-N 2.93Å; V82-V84 VanDerWaalsContact C-N 3.34Å; V82-V84 PolarHBondContact O-N 2.88Å; V84-V86 PolarHBondContact O-N 3.31Å; V84-S87 PolarHBondContact O-N 2.87Å; V84-S87 PolarHBondContact O-OG 3.46Å; V84-L88 HydrophobicContact CG1-CD1 4.07Å; V84-L88 HydrophobicContact CG1-CG 4.42Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.84Å
85L97.3Very high92.9Very high86 Ų8692.8 Ų92.845%0.4550%0.499SS..Hα-helixtrans-59.9-44.1178-73.5-178000112.8F81 V82 S87 L88 A89F81-L85 HydrophobicContact CD1-CD1 3.84Å; F81-L85 HydrophobicContact CD1-CG 4.32Å; F81-L85 HydrophobicContact CE1-CD1 3.33Å; F81-L85 HydrophobicContact CE1-CG 3.98Å; F81-L85 HydrophobicContact CZ-CD1 3.84Å; F81-L85 HydrophobicContact CZ-CD2 4.28Å; F81-L85 HydrophobicContact CZ-CG 4.12Å; F81-L85 WeakPolarHBondContact O-CG 3.42Å; F81-L85 PolarHBondContact O-N 2.93Å; V82-L85 PolarHBondContact O-N 3.49Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.45Å; L85-L88 PolarHBondContact O-N 3.29Å; L85-A89 WeakPolarHBondContact O-CB 3.35Å; L85-A89 PolarHBondContact O-N 3.4Å
86V97.3Very high93.1Very high78 Ų7889.8 Ų89.847%0.47349%0.49SS..Hα-helixtrans-62.5-42.5176.7170.40000110.5V82 A83 V84 A89 I90V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CB 3.28Å; V82-V86 VanDerWaalsContact O-CG2 3.3Å; V82-V86 WeakPolarHBondContact O-CG2 3.28Å; V82-V86 PolarHBondContact O-N 3.28Å; A83-V86 PolarHBondContact O-N 3.06Å; V84-V86 PolarHBondContact O-N 3.31Å; V86-A89 PolarHBondContact O-N 2.92Å; V86-I90 HydrophobicContact CG1-CD1 3.81Å; V86-I90 HydrophobicContact CG1-CG1 4.47Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.49Å; V86-I90 PolarHBondContact O-N 3.4Å
87S97.2Very high93.2Very high66 Ų6690.2 Ų90.246%0.46249%0.486SS..Hα-helixtrans-63.4-42.4177.374.70000112.6A83 V84 L85 I90 W91A83-S87 WeakPolarHBondContact O-CB 3.3Å; A83-S87 PolarHBondContact O-N 3.33Å; A83-S87 PolarHBondContact O-OG 3.06Å; V84-S87 PolarHBondContact O-N 2.87Å; V84-S87 PolarHBondContact O-OG 3.46Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.45Å; S87-I90 PolarHBondContact O-N 2.93Å; S87-W91 WeakPolarHBondContact O-CB 3.36Å; S87-W91 PolarHBondContact O-N 3.42Å
88L97.3Very high93.1Very high93 Ų9390.2 Ų90.249%0.48748%0.481SS..Hα-helixtrans-65.5-40.1176.3-71.9175.3000111.5V84 L85 W91 A92V84-L88 HydrophobicContact CG1-CD1 4.07Å; V84-L88 HydrophobicContact CG1-CG 4.42Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.84Å; L85-L88 PolarHBondContact O-N 3.29Å; L88-W91 PolarHBondContact O-N 2.95Å; L88-A92 VanDerWaalsContact O-CB 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.21Å; L88-A92 PolarHBondContact O-N 3.35Å
89A96.7Very high92.7Very high61 Ų6189 Ų8950%0.50448%0.478SS..Hα-helixtrans-63.7-45.3176.700000111.6L85 V86 A92 L93L85-A89 WeakPolarHBondContact O-CB 3.35Å; L85-A89 PolarHBondContact O-N 3.4Å; V86-A89 PolarHBondContact O-N 2.92Å; A89-A92 PolarHBondContact O-N 3.2Å; A89-L93 VanDerWaalsContact O-CB 3.25Å; A89-L93 WeakPolarHBondContact O-CB 3.36Å; A89-L93 PolarHBondContact O-N 3.49Å
90I96.2Very high91.7Very high98 Ų9884.1 Ų84.150%0.50347%0.468SS..Hα-helixtrans-61.7-46.4175.6-67.5165.5000110.2V86 S87 L93 C94V86-I90 HydrophobicContact CG1-CD1 3.81Å; V86-I90 HydrophobicContact CG1-CG1 4.47Å; V86-I90 VanDerWaalsContact O-CG1 3.28Å; V86-I90 WeakPolarHBondContact O-CG1 3.49Å; V86-I90 PolarHBondContact O-N 3.4Å; S87-I90 PolarHBondContact O-N 2.93Å; I90-L93 PolarHBondContact O-N 2.87Å; I90-C94 PolarHBondContact O-N 3.26Å; I90-C94 PolarHBondContact O-SG 2.88Å
91W96.3Very high90.8Very high163 Ų16385.4 Ų85.462%0.61746%0.464SS*.Hα-helixtrans-61-47.2178.6179.480.1000112.2S87 L88 L93 C94 M95S87-W91 WeakPolarHBondContact O-CB 3.36Å; S87-W91 PolarHBondContact O-N 3.42Å; L88-W91 PolarHBondContact O-N 2.95Å; W91-L93 VanDerWaalsContact C-N 3.29Å; W91-L93 PolarHBondContact O-N 3.33Å; W91-C94 PolarHBondContact O-N 2.9Å; W91-M95 HydrophobicContact CD2-CG 4.21Å; W91-M95 HydrophobicContact CH2-CG 4.41Å; W91-M95 HydrophobicContact CZ2-CE 4.17Å; W91-M95 HydrophobicContact CZ2-CG 3.97Å; W91-M95 HydrophobicContact CZ2-SD 4.48Å; W91-M95 WeakPolarHBondContact O-CG 3.38Å; W91-M95 PolarHBondContact O-N 2.93Å
92A94.4Very high89.5Confident50 Ų5083.4 Ų83.441%0.41347%0.466SS..Hα-helixtrans-61.7-38.5176.700000111.8L88 A89 M95 F96L88-A92 VanDerWaalsContact O-CB 3.26Å; L88-A92 WeakPolarHBondContact O-CB 3.21Å; L88-A92 PolarHBondContact O-N 3.35Å; A89-A92 PolarHBondContact O-N 3.2Å; A92-M95 PolarHBondContact O-N 3.43Å; A92-F96 VanDerWaalsContact O-CB 3.31Å; A92-F96 WeakPolarHBondContact O-CB 3.49Å; A92-F96 PolarHBondContact O-N 2.83Å
93L93Very high88.2Confident97 Ų9781.1 Ų81.151%0.50845%0.451SS..Hα-helixtrans-66.6-45.2176.7-169.466000111.6A89 I90 W91 M95 F96 F97A89-L93 VanDerWaalsContact O-CB 3.25Å; A89-L93 WeakPolarHBondContact O-CB 3.36Å; A89-L93 PolarHBondContact O-N 3.49Å; I90-L93 PolarHBondContact O-N 2.87Å; W91-L93 VanDerWaalsContact C-N 3.29Å; W91-L93 PolarHBondContact O-N 3.33Å; L93-M95 PolarHBondContact O-N 3.27Å; L93-F96 PolarHBondContact O-N 2.96Å; L93-F97 HydrophobicContact CD1-CD2 3.91Å; L93-F97 HydrophobicContact CD1-CE2 3.33Å; L93-F97 HydrophobicContact CD1-CZ 4.16Å; L93-F97 HydrophobicContact CD2-CE2 4.13Å; L93-F97 HydrophobicContact CG-CD2 3.78Å; L93-F97 HydrophobicContact CG-CE2 3.51Å; L93-F97 WeakPolarHBondContact O-CD2 3.38Å; L93-F97 PolarHBondContact O-N 2.96Å
94C89.9Confident87Confident64 Ų6481 Ų8143%0.43244%0.444SS..Hα-helixtrans-58.5-47.4174.3-71.80000111.1I90 W91 F96 F97 L98I90-C94 PolarHBondContact O-N 3.26Å; I90-C94 PolarHBondContact O-SG 2.88Å; W91-C94 PolarHBondContact O-N 2.9Å; C94-F96 PolarHBondContact O-N 3.23Å; C94-F97 PolarHBondContact O-N 2.8Å; C94-L98 HydrophobicContact CB-CD1 4.42Å; C94-L98 WeakPolarHBondContact O-CB 3.16Å; C94-L98 WeakPolarHBondContact O-CD1 3.41Å; C94-L98 WeakPolarHBondContact O-CG 3.34Å; C94-L98 PolarHBondContact O-N 2.88Å
95M88.7Confident85.7Confident87 Ų8778.3 Ų78.343%0.42943%0.427SS..Hα-helixtrans-61.4-44.8176.1-68.3-65.3-87.800111.1W91 A92 L93 F97 L98 V99W91-M95 HydrophobicContact CD2-CG 4.21Å; W91-M95 HydrophobicContact CH2-CG 4.41Å; W91-M95 HydrophobicContact CZ2-CE 4.17Å; W91-M95 HydrophobicContact CZ2-CG 3.97Å; W91-M95 HydrophobicContact CZ2-SD 4.48Å; W91-M95 WeakPolarHBondContact O-CG 3.38Å; W91-M95 PolarHBondContact O-N 2.93Å; A92-M95 PolarHBondContact O-N 3.43Å; L93-M95 PolarHBondContact O-N 3.27Å; M95-F97 VanDerWaalsContact C-N 3.31Å; M95-F97 PolarHBondContact O-N 3.32Å; M95-L98 PolarHBondContact O-N 3.32Å; M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 WeakPolarHBondContact O-CG2 3.46Å; M95-V99 PolarHBondContact O-N 3.35Å
96F87.4Confident84.4Confident94 Ų9477.5 Ų77.541%0.41243%0.426SS..Hα-helixtrans-59.2-39178.6177.5-94.9000113.4A92 L93 C94 Y135A92-F96 VanDerWaalsContact O-CB 3.31Å; A92-F96 WeakPolarHBondContact O-CB 3.49Å; A92-F96 PolarHBondContact O-N 2.83Å; L93-F96 PolarHBondContact O-N 2.96Å; C94-F96 PolarHBondContact O-N 3.23Å; F96-Y135 AromaticContact CE1-CE2 3.84Å; F96-Y135 HydrophobicContact CE1-CE2 3.84Å; F96-Y135 HydrophobicContact CZ-CE2 4.25Å
97F85.3Confident82.7Confident90 Ų9075.1 Ų75.140%0.39541%0.412SS..Hα-helixtrans-80.5-32.5178.1-75-63.4000113.8L93 C94 M95 Y135 L136L93-F97 HydrophobicContact CD1-CD2 3.91Å; L93-F97 HydrophobicContact CD1-CE2 3.33Å; L93-F97 HydrophobicContact CD1-CZ 4.16Å; L93-F97 HydrophobicContact CD2-CE2 4.13Å; L93-F97 HydrophobicContact CG-CD2 3.78Å; L93-F97 HydrophobicContact CG-CE2 3.51Å; L93-F97 WeakPolarHBondContact O-CD2 3.38Å; L93-F97 PolarHBondContact O-N 2.96Å; C94-F97 PolarHBondContact O-N 2.8Å; M95-F97 VanDerWaalsContact C-N 3.31Å; M95-F97 PolarHBondContact O-N 3.32Å; F97-Y135 HydrophobicContact CD1-CD1 4.29Å; F97-Y135 AromaticContact CD1-CD2 3.92Å; F97-Y135 HydrophobicContact CD1-CD2 3.92Å; F97-Y135 HydrophobicContact CD1-CE2 4.46Å; F97-Y135 AromaticContact CD1-CG 3.82Å; F97-Y135 HydrophobicContact CD1-CG 3.82Å; F97-Y135 HydrophobicContact CE1-CD1 4.21Å; F97-Y135 HydrophobicContact CE1-CD2 4.41Å; F97-Y135 HydrophobicContact CE1-CE1 4.43Å; F97-Y135 HydrophobicContact CE1-CG 4.2Å; F97-L136 WeakPolarHBondContact O-CD1 3.43Å
98L82.9Confident81Confident93 Ų9376.8 Ų76.849%0.48742%0.416SS..Hα-helixtrans-86-26.2-178.1-69.5169.4000113.1C94 M95 P100 L198C94-L98 HydrophobicContact CB-CD1 4.42Å; C94-L98 WeakPolarHBondContact O-CB 3.16Å; C94-L98 WeakPolarHBondContact O-CD1 3.41Å; C94-L98 WeakPolarHBondContact O-CG 3.34Å; C94-L98 PolarHBondContact O-N 2.88Å; M95-L98 PolarHBondContact O-N 3.32Å; L98-P100 WeakPolarHBondContact O-CD 3.32Å; L98-L198 HydrophobicContact CD2-CD1 4.38Å
99V81.1Confident79Confident80 Ų8074.8 Ų74.849%0.48540%0.404SS..SBendtrans-64.1119.8176.6166.20000108.1M95 R101M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 WeakPolarHBondContact O-CG2 3.46Å; M95-V99 PolarHBondContact O-N 3.35Å; V99-R101 PolarHBondContact O-N 3.02Å; V99-R101 VanDerWaalsContact O-N 3.11Å
100P68.6Low76.8Confident65 Ų6579.4 Ų79.442%0.42242%0.416SS..PPolyproline II helixtrans-64.3119.1-17825.4-32.4000109.4L98 Y197L98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-Y197 HydrophobicContact CB-CD2 4.45Å; P100-Y197 HydrophobicContact CB-CE2 3.53Å; P100-Y197 WeakPolarHBondContact CB-OH 3.48Å; P100-Y197 HydrophobicContact CG-CE2 4.06Å
101R73.3Confident74.2Confident111 Ų11179.4 Ų79.442%0.41942%0.422SS..PPolyproline II helixtrans-74.8150.5164.9-76-168.3169.2-164.3-4.1109.5V99 I103V99-R101 PolarHBondContact O-N 3.02Å; V99-R101 VanDerWaalsContact O-N 3.11Å; R101-I103 PolarHBondContact O-N 3.49Å
102S68Low71.6Confident85 Ų8575.7 Ų75.759%0.59441%0.413SS*.PPolyproline II helixtrans-56.2136.2179.9510000111.7
103I67Low69.1Low12 Ų1277.2 Ų77.26%0.06242%0.417CS..PPolyproline II helixtrans-86.4123.7169.6-59.3164.8000106.4R101 I130 I138 S195 Y197R101-I103 PolarHBondContact O-N 3.49Å; I103-I130 HydrophobicContact CG2-CG2 4.41Å; I103-I138 HydrophobicContact CD1-CD1 3.89Å; I103-I138 HydrophobicContact CD1-CG2 4.36Å; I103-I138 HydrophobicContact CG1-CD1 4.15Å; I103-I138 HydrophobicContact CG2-CD1 4.12Å; I103-S195 WeakPolarHBondContact CD1-OG 3.43Å; I103-Y197 HydrophobicContact CD1-CD1 4.34Å; I103-Y197 HydrophobicContact CD1-CE1 4.06Å
104V72.4Confident66.6Low57 Ų5775.9 Ų75.935%0.34542%0.415SS..EExtended strand (participates in β ladder)trans-104.3120.4179.6-176.20000108.1V106 T131 Y133V104-V106 HydrophobicContact CG1-CG2 4.01Å; V104-T131 PolarHBondContact N-O 2.84Å; V104-T131 PolarHBondContact O-N 2.85Å; V104-T131 VanDerWaalsContact O-N 3.14Å; V104-Y133 HydrophobicContact CB-CD2 4.02Å; V104-Y133 HydrophobicContact CB-CE2 3.72Å; V104-Y133 HydrophobicContact CG2-CD2 3.71Å; V104-Y133 HydrophobicContact CG2-CE2 3.67Å
105L69.8Low64.2Low15 Ų1582.4 Ų82.48%0.07943%0.432CS..EExtended strand (participates in β ladder)trans-87.3122.5169.4-57.5178.8000107.5I130 V193 T204 I206L105-I130 HydrophobicContact CD2-CB 4.38Å; L105-I130 HydrophobicContact CD2-CG1 3.91Å; L105-I130 HydrophobicContact CD2-CG2 4.08Å; L105-V193 HydrophobicContact CD1-CB 4.1Å; L105-V193 HydrophobicContact CD1-CG2 3.9Å; L105-V193 HydrophobicContact CD2-CB 4.13Å; L105-V193 HydrophobicContact CD2-CG2 3.92Å; L105-T204 HydrophobicContact CD1-CG2 3.7Å; L105-T204 WeakPolarHBondContact CD1-O 3.42Å; L105-T204 HydrophobicContact CG-CG2 3.88Å; L105-I206 HydrophobicContact CB-CB 4.22Å; L105-I206 HydrophobicContact CB-CG2 4.03Å; L105-I206 HydrophobicContact CD1-CG2 4.15Å; L105-I206 WeakPolarHBondContact O-CD1 3.21Å
106V69.3Low61.7Low68 Ų6887.3 Ų87.341%0.41245%0.447SS..EExtended strand (participates in β ladder)trans-112.3115.1171.7-1770000106.7V104 N129V104-V106 HydrophobicContact CG1-CG2 4.01Å; V106-N129 PolarHBondContact N-O 2.75Å; V106-N129 CarbonylContact O-C 3.58Å; V106-N129 WeakPolarHBondContact O-CA 3.3Å; V106-N129 WeakPolarHBondContact O-CB 3.49Å; V106-N129 PolarHBondContact O-N 2.94Å
107S63Low59.3Low28 Ų2887 Ų8720%0.19645%0.452CS..EExtended strand (participates in β ladder)trans-75.5126.6169.3-1670000107.7E109S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 PolarHBondContact O-N 3.26Å
108D59.9Low57Low101 Ų10192.9 Ų92.954%0.5447%0.473SS..  trans-80.983.2169-164.924.9000107.1
109E56.6Low55.1Low51 Ų5195.4 Ų95.424%0.23849%0.486CS..  trans-13488170.5-74.1-169.1167.200109.2S107 K126 T208 Q210S107-E109 VanDerWaalsContact C-N 3.26Å; S107-E109 PolarHBondContact O-N 3.26Å; E109-K126 WeakPolarHBondContact OE1-CD 3.2Å; E109-K126 WeakPolarHBondContact OE1-CE 3.32Å; E109-K126 IonicContact OE1-NZ 2.95Å; E109-K126 PolarHBondContact OE1-NZ 3.41Å; E109-T208 WeakPolarHBondContact OE2-CB 3.09Å; E109-T208 WeakPolarHBondContact OE2-CG2 3.37Å; E109-T208 PolarHBondContact OE2-OG1 2.81Å; E109-Q210 PolarHBondContact OE1-NE2 2.77Å
110Q50Low53.6Low158 Ų15898.7 Ų98.774%0.73850%0.501SS*.SBendtrans-59.7146.2136.8-83.6138.96.500108.2I112Q110-I112 PolarHBondContact O-N 2.85Å; Q110-I112 VanDerWaalsContact O-N 3.13Å
111P42.5Very low52.5Low98 Ų98104 Ų10464%0.63652%0.52SS*.  trans-50.9126.5177.820.4-30.6000108.6V113P111-V113 VanDerWaalsContact C-N 3.29Å; P111-V113 PolarHBondContact O-N 3.49Å
112I41.4Very low51.6Low85 Ų85102.8 Ų102.844%0.43653%0.528SS..  trans-58.398.2177-62.5172.5000106.7Q110Q110-I112 PolarHBondContact O-N 2.85Å; Q110-I112 VanDerWaalsContact O-N 3.13Å
113V40.4Very low51.1Low82 Ų82102.1 Ų102.150%0.49752%0.521SS..  trans-71125.4159.6-166.70000104.1P111 Y115 I223P111-V113 VanDerWaalsContact C-N 3.29Å; P111-V113 PolarHBondContact O-N 3.49Å; V113-Y115 PolarHBondContact O-N 3.47Å; V113-I223 HydrophobicContact CB-CD1 4.41Å; V113-I223 HydrophobicContact CG1-CD1 3.98Å; V113-I223 HydrophobicContact CG2-CD1 3.63Å; V113-I223 HydrophobicContact CG2-CG1 4.05Å
114P40.6Very low50.9Low70 Ų70104 Ų10446%0.45553%0.534SS..  trans-59.6103.1176.824-32.2000108.5Y116P114-Y116 PolarHBondContact O-N 2.91Å
115Y39.3Very low50.6Low201 Ų201104.4 Ų104.479%0.78854%0.536SS*.  trans-73.6120.7163-165.7-109.6000105.8V113 T117V113-Y115 PolarHBondContact O-N 3.47Å; Y115-T117 HydrophobicContact CD1-CG2 4.02Å; Y115-T117 WeakPolarHBondContact O-CG2 3.04Å; Y115-T117 PolarHBondContact O-N 2.87Å
116Y37.7Very low50.8Low189 Ų189104.5 Ų104.574%0.74154%0.536SS*.  trans-61.789.3173.4-54.4-87000108.6P114P114-Y116 PolarHBondContact O-N 2.91Å
117T36.8Very low51Low87 Ų87106.4 Ų106.453%0.53454%0.539SS..  trans-90.7129.7170.4890000107.7Y115 I119Y115-T117 HydrophobicContact CD1-CG2 4.02Å; Y115-T117 WeakPolarHBondContact O-CG2 3.04Å; Y115-T117 PolarHBondContact O-N 2.87Å; T117-I119 PolarHBondContact O-N 3.38Å
118Y35.7Very low51.8Low214 Ų214105.2 Ų105.284%0.83953%0.53SS*.  trans-55.1138.5175.6-71.2-93.1000110.7N120Y118-N120 PolarHBondContact O-N 2.9Å
119I44.8Very low52.8Low147 Ų147102.5 Ų102.575%0.75452%0.516SS*.THydrogen-bonded Turntrans-58.37.5-169.6-69.8160.2000115T117T117-I119 PolarHBondContact O-N 3.38Å
120N47.7Very low54Low149 Ų149100.1 Ų100.180%0.79751%0.505SS*.THydrogen-bonded Turntrans-91.4-9.4-171-63.5-8.5000114.1Y118Y118-N120 PolarHBondContact O-N 2.9Å
121E46.9Very low55.6Low176 Ų17693.8 Ų93.882%0.82248%0.477SS*.SBendtrans-146.538.8177.6-65.1-172.5167.100113.8V123E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 3.28Å
122S53.5Low57.6Low85 Ų8589.1 Ų89.159%0.59445%0.447SS*.  trans-75.857-164.855.10000116.7P124S122-P124 WeakPolarHBondContact O-CD 3.25Å
123V58.2Low59.7Low72 Ų7290.8 Ų90.844%0.43645%0.448SS..  trans-98.3112.7165.3-173.40000108.6E121 V125 N179 T180E121-V123 VanDerWaalsContact C-N 3.31Å; E121-V123 PolarHBondContact O-N 3.28Å; V123-V125 WeakPolarHBondContact O-CG2 3.31Å; V123-V125 PolarHBondContact O-N 3.39Å; V123-N179 HydrophobicContact CG1-CB 3.88Å; V123-T180 WeakPolarHBondContact CG1-O 3.14Å
124P62.4Low61.7Low51 Ų5187 Ų8733%0.33143%0.425SS..  trans-58.7117.5175.510.5-17000110.3S122 T180 T183S122-P124 WeakPolarHBondContact O-CD 3.25Å; P124-T180 HydrophobicContact CB-CG2 4.01Å; P124-T180 WeakPolarHBondContact CD-O 3.38Å; P124-T180 HydrophobicContact CG-CG2 4.16Å; P124-T180 WeakPolarHBondContact CG-O 3.48Å; P124-T180 WeakPolarHBondContact O-CG2 3.19Å; P124-T180 PolarHBondContact O-N 3.45Å; P124-T180 VanDerWaalsContact O-O 3.09Å; P124-T183 HydrophobicContact CG-CG2 4.27Å
125V66.2Low63.8Low65 Ų6586.9 Ų86.939%0.39442%0.416SS..EExtended strand (participates in β ladder)trans-100.1129.5177-1750000109.1V123 F127 A177 F178 N179V123-V125 WeakPolarHBondContact O-CG2 3.31Å; V123-V125 PolarHBondContact O-N 3.39Å; V125-F127 HydrophobicContact CB-CZ 4.48Å; V125-F127 HydrophobicContact CG1-CE1 4.06Å; V125-F127 HydrophobicContact CG1-CE2 4.25Å; V125-F127 HydrophobicContact CG1-CZ 3.83Å; V125-A177 HydrophobicContact CG1-CB 3.84Å; V125-F178 CarbonylContact C-O 3.52Å; V125-F178 WeakPolarHBondContact CA-O 3.48Å; V125-N179 WeakPolarHBondContact CG2-OD1 3.06Å
126K72.9Confident65.9Low17 Ų1779.4 Ų79.47%0.07439%0.39CS..EExtended strand (participates in β ladder)trans-108.8140.9173.1-64.6-161.1-175.9-162.30111.8E109 M145 A177 F178 T180 L189E109-K126 WeakPolarHBondContact OE1-CD 3.2Å; E109-K126 WeakPolarHBondContact OE1-CE 3.32Å; E109-K126 IonicContact OE1-NZ 2.95Å; E109-K126 PolarHBondContact OE1-NZ 3.41Å; K126-M145 HydrophobicContact CD-CE 3.52Å; K126-M145 HydrophobicContact CD-SD 4.44Å; K126-M145 HydrophobicContact CG-CE 4.22Å; K126-A177 CarbonylContact O-C 3.59Å; K126-A177 WeakPolarHBondContact O-CA 3.33Å; K126-F178 HydrophobicContact CB-CB 4.47Å; K126-F178 PolarHBondContact N-O 3.08Å; K126-F178 PolarHBondContact O-N 3.43Å; K126-T180 HydrophobicContact CG-CG2 4.13Å; K126-L189 HydrophobicContact CD-CD2 3.74Å
127F75.1Confident68.1Low108 Ų10874.3 Ų74.347%0.47438%0.378SS..EExtended strand (participates in β ladder)trans-108.1125.9178.2-58.8-79.8000110.6V125 I176 A177V125-F127 HydrophobicContact CB-CZ 4.48Å; V125-F127 HydrophobicContact CG1-CE1 4.06Å; V125-F127 HydrophobicContact CG1-CE2 4.25Å; V125-F127 HydrophobicContact CG1-CZ 3.83Å; F127-I176 WeakPolarHBondContact CA-O 3.48Å; F127-A177 HydrophobicContact CD1-CB 4.02Å; F127-A177 HydrophobicContact CE1-CB 3.89Å
128L78.2Confident70.5Confident3 Ų370.2 Ų70.22%0.01635%0.353CS..EExtended strand (participates in β ladder)trans-106.2124.7170.7-177.977.7000108.8I130 T175 I176 F178 V191 V193 I206L128-I130 HydrophobicContact CD2-CD1 4.18Å; L128-I130 HydrophobicContact CD2-CG1 3.91Å; L128-I130 HydrophobicContact CG-CG1 4.28Å; L128-T175 CarbonylContact O-C 3.59Å; L128-T175 VanDerWaalsContact O-CA 3.32Å; L128-T175 WeakPolarHBondContact O-CA 3.35Å; L128-I176 PolarHBondContact N-O 2.89Å; L128-I176 PolarHBondContact O-N 2.86Å; L128-F178 HydrophobicContact CB-CD2 4.43Å; L128-F178 HydrophobicContact CB-CE2 3.94Å; L128-F178 HydrophobicContact CD2-CE2 4.26Å; L128-V191 HydrophobicContact CD1-CB 4.47Å; L128-V191 HydrophobicContact CD1-CG1 4.33Å; L128-V191 HydrophobicContact CD2-CG1 3.71Å; L128-V193 HydrophobicContact CD2-CG2 3.57Å; L128-I206 HydrophobicContact CD1-CG2 3.93Å
129N82.5Confident73Confident45 Ų4561.1 Ų61.124%0.24132%0.321CS..EExtended strand (participates in β ladder)trans-97.4111176.7-156.5-1.3000110.4V106 T175V106-N129 PolarHBondContact N-O 2.75Å; V106-N129 CarbonylContact O-C 3.58Å; V106-N129 WeakPolarHBondContact O-CA 3.3Å; V106-N129 WeakPolarHBondContact O-CB 3.49Å; V106-N129 PolarHBondContact O-N 2.94Å; N129-T175 HydrophobicContact CB-CG2 4.26Å
130I80.7Confident74.9Confident1 Ų154.1 Ų54.11%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-95.3116.8179.7-57.7178.7000107.7I103 L105 L128 V140 V168 S173 R174 I176 V193I103-I130 HydrophobicContact CG2-CG2 4.41Å; L105-I130 HydrophobicContact CD2-CB 4.38Å; L105-I130 HydrophobicContact CD2-CG1 3.91Å; L105-I130 HydrophobicContact CD2-CG2 4.08Å; L128-I130 HydrophobicContact CD2-CD1 4.18Å; L128-I130 HydrophobicContact CD2-CG1 3.91Å; L128-I130 HydrophobicContact CG-CG1 4.28Å; I130-V140 HydrophobicContact CD1-CG1 4.29Å; I130-V140 HydrophobicContact CD1-CG2 4.02Å; I130-V140 HydrophobicContact CG2-CG2 4.42Å; I130-V168 HydrophobicContact CG2-CG2 4.43Å; I130-S173 CarbonylContact O-C 3.54Å; I130-S173 WeakPolarHBondContact O-CA 3.25Å; I130-R174 PolarHBondContact N-O 2.78Å; I130-R174 PolarHBondContact O-N 2.84Å; I130-I176 HydrophobicContact CD1-CD1 3.4Å; I130-I176 HydrophobicContact CD1-CG1 3.96Å; I130-V193 HydrophobicContact CD1-CG1 4Å; I130-V193 HydrophobicContact CD1-CG2 4.25Å
131T83.9Confident76.8Confident25 Ų2549.6 Ų49.615%0.15326%0.263CS..EExtended strand (participates in β ladder)trans-108.4118.2178.2-56.80000110.4V104 Y133V104-T131 PolarHBondContact N-O 2.84Å; V104-T131 PolarHBondContact O-N 2.85Å; V104-T131 VanDerWaalsContact O-N 3.14Å; T131-Y133 HydrophobicContact CG2-CD2 3.99Å; T131-Y133 HydrophobicContact CG2-CE1 4.28Å; T131-Y133 HydrophobicContact CG2-CE2 3.48Å; T131-Y133 VanDerWaalsContact CG2-CE2 3.48Å
132N85.4Confident78.6Confident0 Ų044.4 Ų44.40%024%0.24CC..  trans-89.3104.9176.3-178.914.6000110.2N134 L136 I138 V168 P169 R171 S172N132-N134 VanDerWaalsContact C-N 3.29Å; N132-N134 WeakPolarHBondContact OD1-CA 3.48Å; N132-N134 WeakPolarHBondContact OD1-CB 3.12Å; N132-N134 PolarHBondContact OD1-N 3.42Å; N132-L136 PolarHBondContact ND2-O 3.47Å; N132-I138 HydrophobicContact CB-CD1 3.88Å; N132-I138 HydrophobicContact CB-CG1 4.16Å; N132-V168 HydrophobicContact CB-CB 4.3Å; N132-V168 HydrophobicContact CB-CG1 3.6Å; N132-V168 PolarHBondContact ND2-O 3.11Å; N132-P169 PolarHBondContact ND2-O 2.79Å; N132-P169 VanDerWaalsContact ND2-O 3.09Å; N132-R171 WeakPolarHBondContact O-CA 3.16Å; N132-R171 PolarHBondContact O-N 2.78Å; N132-S172 PolarHBondContact N-O 2.86Å; N132-S172 PolarHBondContact O-N 2.89Å
133Y84.3Confident80.1Confident120 Ų12040.4 Ų40.447%0.47121%0.212SC..  trans-86-1.5173.8-72.8-79.5000113.8V104 T131V104-Y133 HydrophobicContact CB-CD2 4.02Å; V104-Y133 HydrophobicContact CB-CE2 3.72Å; V104-Y133 HydrophobicContact CG2-CD2 3.71Å; V104-Y133 HydrophobicContact CG2-CE2 3.67Å; T131-Y133 HydrophobicContact CG2-CD2 3.99Å; T131-Y133 HydrophobicContact CG2-CE1 4.28Å; T131-Y133 HydrophobicContact CG2-CE2 3.48Å; T131-Y133 VanDerWaalsContact CG2-CE2 3.48Å
134N83.4Confident81.3Confident1 Ų138.1 Ų38.11%0.00520%0.2CC..SBendtrans-77.3157.5-178.9-147.7-23.5000111.1N132 R171N132-N134 VanDerWaalsContact C-N 3.29Å; N132-N134 WeakPolarHBondContact OD1-CA 3.48Å; N132-N134 WeakPolarHBondContact OD1-CB 3.12Å; N132-N134 PolarHBondContact OD1-N 3.42Å; N134-R171 PolarHBondContact O-N 3.4Å
135Y83.2Confident82.2Confident69 Ų6935.9 Ų35.927%0.27119%0.185SC..SBendtrans-863.5174.9-65.7-75.4000112.6F96 F97F96-Y135 AromaticContact CE1-CE2 3.84Å; F96-Y135 HydrophobicContact CE1-CE2 3.84Å; F96-Y135 HydrophobicContact CZ-CE2 4.25Å; F97-Y135 HydrophobicContact CD1-CD1 4.29Å; F97-Y135 AromaticContact CD1-CD2 3.92Å; F97-Y135 HydrophobicContact CD1-CD2 3.92Å; F97-Y135 HydrophobicContact CD1-CE2 4.46Å; F97-Y135 AromaticContact CD1-CG 3.82Å; F97-Y135 HydrophobicContact CD1-CG 3.82Å; F97-Y135 HydrophobicContact CE1-CD1 4.21Å; F97-Y135 HydrophobicContact CE1-CD2 4.41Å; F97-Y135 HydrophobicContact CE1-CE1 4.43Å; F97-Y135 HydrophobicContact CE1-CG 4.2Å
136L83.8Confident83Confident44 Ų4434 Ų3423%0.2317%0.173CC..SBendtrans-117.3154174.7-60.8103.6000110.3F97 N132 L198F97-L136 WeakPolarHBondContact O-CD1 3.43Å; N132-L136 PolarHBondContact ND2-O 3.47Å; L136-L198 HydrophobicContact CD1-CD1 4.45Å; L136-L198 HydrophobicContact CD2-CD1 4.02Å; L136-L198 HydrophobicContact CD2-CD2 3.75Å; L136-L198 HydrophobicContact CD2-CG 3.97Å
137T85.2Confident83.2Confident81 Ų8133.4 Ų33.450%0.49717%0.172SC..  trans-71.6130.9171.2-59.60000108.8A167T137-A167 HydrophobicContact CG2-CB 4.23Å
138I87.5Confident83.3Confident1 Ų129.6 Ų29.61%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-103.3144.1174.865.7174.7000109.1I103 N132 V168 Y197I103-I138 HydrophobicContact CD1-CD1 3.89Å; I103-I138 HydrophobicContact CD1-CG2 4.36Å; I103-I138 HydrophobicContact CG1-CD1 4.15Å; I103-I138 HydrophobicContact CG2-CD1 4.12Å; N132-I138 HydrophobicContact CB-CD1 3.88Å; N132-I138 HydrophobicContact CB-CG1 4.16Å; I138-V168 HydrophobicContact CD1-CB 4.22Å; I138-V168 HydrophobicContact CG1-CB 3.73Å; I138-V168 HydrophobicContact CG1-CG2 4.27Å; I138-V168 PolarHBondContact N-O 2.84Å; I138-V168 VanDerWaalsContact N-O 3.13Å; I138-V168 PolarHBondContact O-N 3.4Å; I138-Y197 HydrophobicContact CG2-CD1 4.21Å; I138-Y197 HydrophobicContact CG2-CG 4.45Å
139S87.6Confident83.1Confident24 Ų2431.3 Ų31.317%0.16817%0.165CC..EExtended strand (participates in β ladder)trans-101.9113.217149.70000108.5V141 S195 H196S139-V141 PolarHBondContact O-N 2.56Å; S139-S195 CarbonylContact O-C 3.52Å; S139-S195 VanDerWaalsContact O-CA 3.3Å; S139-S195 WeakPolarHBondContact O-CA 3.39Å; S139-H196 PolarHBondContact N-O 3.07Å; S139-H196 PolarHBondContact O-N 3.11Å; S139-H196 WeakPolarHBondContact OG-CB 3.09Å; S139-H196 PolarHBondContact OG-O 2.69Å
140V85.1Confident82.7Confident0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-79113.9170.4175.20000106.2I130 E165 V166 V168 I176 V193I130-V140 HydrophobicContact CD1-CG1 4.29Å; I130-V140 HydrophobicContact CD1-CG2 4.02Å; I130-V140 HydrophobicContact CG2-CG2 4.42Å; V140-E165 CarbonylContact O-C 3.54Å; V140-E165 WeakPolarHBondContact O-CA 3.32Å; V140-V166 PolarHBondContact N-O 2.75Å; V140-V166 PolarHBondContact O-N 2.78Å; V140-V168 HydrophobicContact CG2-CG2 3.87Å; V140-I176 HydrophobicContact CG1-CD1 4.11Å; V140-V193 HydrophobicContact CG1-CG1 3.58Å; V140-V193 HydrophobicContact CG2-CG1 4.25Å
141V86.5Confident82.2Confident54 Ų5438.4 Ų38.433%0.32721%0.205SC..EExtended strand (participates in β ladder)trans-93.7-41.7-174.4-179.10000110.7S139 T194 H196S139-V141 PolarHBondContact O-N 2.56Å; V141-T194 PolarHBondContact N-O 2.86Å; V141-H196 HydrophobicContact CG2-CB 3.91Å
142N86Confident81.5Confident66 Ų6645 Ų4535%0.35324%0.239SC..EExtended strand (participates in β ladder)trans-139.3133-176.9-72.5-37.3000110.4L163 T194N142-L163 WeakPolarHBondContact OD1-CD2 3.27Å; N142-T194 PolarHBondContact N-O 3.34Å; N142-T194 PolarHBondContact O-N 2.83Å
143A83.2Confident80.8Confident1 Ų147.4 Ų47.41%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-126.9124.2171.100000108.9N162 I176 F178 T192 V193A143-N162 PolarHBondContact N-O 2.84Å; A143-N162 VanDerWaalsContact N-O 3.14Å; A143-N162 PolarHBondContact O-N 2.86Å; A143-I176 HydrophobicContact CB-CD1 4.27Å; A143-F178 HydrophobicContact CB-CE1 4.17Å; A143-F178 HydrophobicContact CB-CZ 3.64Å; A143-T192 CarbonylContact C-O 3.53Å; A143-T192 WeakPolarHBondContact CA-O 3.15Å; A143-V193 HydrophobicContact CB-CG2 4.34Å
144S85Confident80.5Confident24 Ų2451.1 Ų51.117%0.16827%0.269CS..EExtended strand (participates in β ladder)trans-129133.6179.683.20000111.9V160 V191 T192S144-V160 CarbonylContact C-O 3.58Å; S144-V160 WeakPolarHBondContact CA-O 3.06Å; S144-V191 CarbonylContact O-C 3.56Å; S144-V191 WeakPolarHBondContact O-CA 3.46Å; S144-T192 PolarHBondContact N-O 3.06Å; S144-T192 PolarHBondContact O-N 3.09Å; S144-T192 PolarHBondContact O-OG1 3.45Å; S144-T192 PolarHBondContact OG-OG1 3.2Å
145M80.8Confident80.3Confident4 Ų459 Ų592%0.0230%0.299CS..EExtended strand (participates in β ladder)trans-111.4123.8179.7169.5-163.7174.300107.7K126 Q159 V160 F178 T180 L189 V190 V191K126-M145 HydrophobicContact CD-CE 3.52Å; K126-M145 HydrophobicContact CD-SD 4.44Å; K126-M145 HydrophobicContact CG-CE 4.22Å; M145-Q159 CarbonylContact O-C 3.44Å; M145-Q159 WeakPolarHBondContact O-CA 3.49Å; M145-V160 HydrophobicContact CB-CB 4.4Å; M145-V160 PolarHBondContact N-O 3.05Å; M145-V160 PolarHBondContact O-N 3.49Å; M145-V160 HydrophobicContact SD-CB 4.46Å; M145-F178 HydrophobicContact CB-CD1 3.78Å; M145-F178 HydrophobicContact CB-CE1 3.98Å; M145-F178 HydrophobicContact CB-CG 4.16Å; M145-F178 HydrophobicContact SD-CB 3.62Å; M145-F178 HydrophobicContact SD-CD1 4.37Å; M145-F178 HydrophobicContact SD-CG 4.04Å; M145-T180 HydrophobicContact CE-CG2 3.74Å; M145-L189 HydrophobicContact CE-CD1 3.1Å; M145-L189 HydrophobicContact CE-CD2 3.99Å; M145-L189 HydrophobicContact CE-CG 4.06Å; M145-L189 HydrophobicContact CG-CD1 3.61Å; M145-L189 HydrophobicContact CG-CD2 4.12Å; M145-L189 HydrophobicContact CG-CG 3.99Å; M145-L189 HydrophobicContact SD-CD1 4.13Å; M145-V190 CarbonylContact C-O 3.55Å; M145-V191 HydrophobicContact CB-CG2 4.32Å; M145-V191 HydrophobicContact CG-CG2 4.29Å
146V82.6Confident80.2Confident26 Ų2660 Ų6016%0.15831%0.312CS..EExtended strand (participates in β ladder)trans-118.6123.6178.3-175.70000107.9I148 V156 Q159 V190V146-I148 HydrophobicContact CG1-CG1 4.06Å; V146-V156 HydrophobicContact CG1-CB 4.44Å; V146-V156 HydrophobicContact CG1-CG1 3.66Å; V146-V156 HydrophobicContact CG1-CG2 4Å; V146-Q159 HydrophobicContact CG2-CG 4.2Å; V146-V190 PolarHBondContact N-O 3.13Å; V146-V190 PolarHBondContact O-N 3.07Å
147S77.1Confident79.8Confident5 Ų560.7 Ų60.74%0.03532%0.317CS..EExtended strand (participates in β ladder)trans-98.6125.5171.562.10000110V157 G158 I182S147-V157 PolarHBondContact O-N 3.39Å; S147-G158 PolarHBondContact N-O 2.68Å; S147-G158 PolarHBondContact O-N 2.91Å; S147-G158 PolarHBondContact OG-N 2.83Å; S147-G158 VanDerWaalsContact OG-N 3.08Å; S147-G158 PolarHBondContact OG-O 2.9Å; S147-G158 VanDerWaalsContact OG-O 3.11Å; S147-I182 WeakPolarHBondContact OG-CD1 3.36Å
148I77.1Confident79.3Confident27 Ų2757.7 Ų57.714%0.13830%0.303CS..EExtended strand (participates in β ladder)trans-114.8121.6-177.6-56.1173.6000108.2V146 V150 R154 R155 V156 A187 L188 V190V146-I148 HydrophobicContact CG1-CG1 4.06Å; I148-V150 HydrophobicContact CG2-CG2 4.48Å; I148-R154 HydrophobicContact CG2-CB 3.87Å; I148-R154 HydrophobicContact CG2-CG 4.23Å; I148-R155 CarbonylContact C-O 3.55Å; I148-R155 WeakPolarHBondContact CA-O 3.47Å; I148-V156 HydrophobicContact CG1-CG2 4.41Å; I148-A187 CarbonylContact O-C 3.58Å; I148-A187 WeakPolarHBondContact O-CA 3.12Å; I148-L188 HydrophobicContact CB-CB 4.35Å; I148-L188 HydrophobicContact CD1-CD2 4.48Å; I148-L188 PolarHBondContact N-O 2.79Å; I148-L188 PolarHBondContact O-N 2.79Å; I148-V190 HydrophobicContact CD1-CG2 3.96Å
149L75.1Confident79.1Confident40 Ų4063.8 Ų63.821%0.20933%0.331CS..EExtended strand (participates in β ladder)trans-78.9131.7171.6-171.579.8000109.3L151 S153 R154 R155 V157 F184L149-L151 HydrophobicContact CD1-CD1 3.36Å; L149-L151 HydrophobicContact CD2-CD1 4.31Å; L149-L151 HydrophobicContact CG-CD1 3.78Å; L149-S153 VanDerWaalsContact O-O 3.11Å; L149-R154 WeakPolarHBondContact O-CA 3.41Å; L149-R155 PolarHBondContact N-O 3.18Å; L149-R155 PolarHBondContact O-N 3.14Å; L149-R155 VanDerWaalsContact O-N 3.17Å; L149-V157 HydrophobicContact CB-CB 4.49Å; L149-V157 HydrophobicContact CB-CG2 3.31Å; L149-V157 HydrophobicContact CD2-CG2 4.13Å; L149-V157 HydrophobicContact CG-CG2 4.25Å; L149-F184 HydrophobicContact CD1-CB 4.13Å; L149-F184 HydrophobicContact CD1-CG 4.17Å
150V73.6Confident78.8Confident75 Ų7564.2 Ų64.246%0.45533%0.333SS..  trans-114.38.1-171.8-167.70000112.6I148 D152 L188I148-V150 HydrophobicContact CG2-CG2 4.48Å; V150-D152 VanDerWaalsContact C-N 3.3Å; V150-D152 PolarHBondContact O-N 3.14Å; V150-L188 HydrophobicContact CG2-CB 3.92Å
151L70.9Confident78.6Confident120 Ų12068.1 Ų68.163%0.62836%0.357SS*.SBendtrans-65.2-20.9-172.5-84.4121.5000116L149 T186L149-L151 HydrophobicContact CD1-CD1 3.36Å; L149-L151 HydrophobicContact CD2-CD1 4.31Å; L149-L151 HydrophobicContact CG-CD1 3.78Å; L151-T186 WeakPolarHBondContact CD1-OG1 3.36Å; L151-T186 WeakPolarHBondContact CG-OG1 3.48Å
152D67.7Low78.1Confident162 Ų16267.9 Ų67.987%0.86635%0.354SS*.SBendtrans-162.6-38.6178.9-164.129.6000112.9V150V150-D152 VanDerWaalsContact C-N 3.3Å; V150-D152 PolarHBondContact O-N 3.14Å
153S71.3Confident77.6Confident51 Ų5170.9 Ų70.936%0.35737%0.369SS..SBendtrans-138.3139.8168.850.30000108.7L149 R155L149-S153 VanDerWaalsContact O-O 3.11Å; S153-R155 PolarHBondContact O-N 2.92Å; S153-R155 PolarHBondContact OG-NE 2.88Å
154R77Confident77Confident198 Ų19873 Ų7375%0.74738%0.382SS*.  trans-62.697.7177.1-71.3-174.4-177.7-155.60.5109I148 L149I148-R154 HydrophobicContact CG2-CB 3.87Å; I148-R154 HydrophobicContact CG2-CG 4.23Å; L149-R154 WeakPolarHBondContact O-CA 3.41Å
155R79.6Confident76.9Confident168 Ų16879.3 Ų79.363%0.63441%0.409SS*.EExtended strand (participates in β ladder)trans-111.2130.2177.4-69.2-177.1-176.2-178.5-1.2108.8I148 L149 S153 V157I148-R155 CarbonylContact C-O 3.55Å; I148-R155 WeakPolarHBondContact CA-O 3.47Å; L149-R155 PolarHBondContact N-O 3.18Å; L149-R155 PolarHBondContact O-N 3.14Å; L149-R155 VanDerWaalsContact O-N 3.17Å; S153-R155 PolarHBondContact O-N 2.92Å; S153-R155 PolarHBondContact OG-NE 2.88Å; R155-V157 HydrophobicContact CB-CG2 4.47Å; R155-V157 WeakPolarHBondContact O-CG2 3.44Å; R155-V157 PolarHBondContact O-N 2.8Å
156V80.9Confident77.1Confident90 Ų9081.1 Ų81.155%0.54542%0.42SS..EExtended strand (participates in β ladder)trans-71.8115.7171.2177.60000107.1V146 I148V146-V156 HydrophobicContact CG1-CB 4.44Å; V146-V156 HydrophobicContact CG1-CG1 3.66Å; V146-V156 HydrophobicContact CG1-CG2 4Å; I148-V156 HydrophobicContact CG1-CG2 4.41Å
157V76.6Confident77.3Confident57 Ų5782.8 Ų82.835%0.34544%0.436SS..EExtended strand (participates in β ladder)trans-103.6-9.6-178.2-165.70000112S147 L149 R155 F184S147-V157 PolarHBondContact O-N 3.39Å; L149-V157 HydrophobicContact CB-CB 4.49Å; L149-V157 HydrophobicContact CB-CG2 3.31Å; L149-V157 HydrophobicContact CD2-CG2 4.13Å; L149-V157 HydrophobicContact CG-CG2 4.25Å; R155-V157 HydrophobicContact CB-CG2 4.47Å; R155-V157 WeakPolarHBondContact O-CG2 3.44Å; R155-V157 PolarHBondContact O-N 2.8Å; V157-F184 HydrophobicContact CB-CD2 4.47Å; V157-F184 HydrophobicContact CB-CE2 4.06Å; V157-F184 HydrophobicContact CG1-CD2 4.02Å; V157-F184 HydrophobicContact CG1-CE2 3.19Å; V157-F184 HydrophobicContact CG1-CZ 3.65Å
158G74.2Confident77.7Confident18 Ų1882.6 Ų82.619%0.18644%0.435CS..EExtended strand (participates in β ladder)trans-176.4162160.400000113S147 I182S147-G158 PolarHBondContact N-O 2.68Å; S147-G158 PolarHBondContact O-N 2.91Å; S147-G158 PolarHBondContact OG-N 2.83Å; S147-G158 VanDerWaalsContact OG-N 3.08Å; S147-G158 PolarHBondContact OG-O 2.9Å; S147-G158 VanDerWaalsContact OG-O 3.11Å; G158-I182 VanDerWaalsContact CA-CD1 3.45Å
159Q83.5Confident78.2Confident129 Ų12983.6 Ų83.660%0.60344%0.443SS*.EExtended strand (participates in β ladder)trans-142.1121.3-173.2178.7173.57.700107.5M145 V146 T161M145-Q159 CarbonylContact O-C 3.44Å; M145-Q159 WeakPolarHBondContact O-CA 3.49Å; V146-Q159 HydrophobicContact CG2-CG 4.2Å; Q159-T161 HydrophobicContact CG-CG2 4.37Å
160V80.3Confident78.8Confident34 Ų3486.2 Ų86.221%0.20646%0.457CS..EExtended strand (participates in β ladder)trans-114.8119.4176-177.80000106.8S144 M145 F178 N179S144-V160 CarbonylContact C-O 3.58Å; S144-V160 WeakPolarHBondContact CA-O 3.06Å; M145-V160 HydrophobicContact CB-CB 4.4Å; M145-V160 PolarHBondContact N-O 3.05Å; M145-V160 PolarHBondContact O-N 3.49Å; M145-V160 HydrophobicContact SD-CB 4.46Å; V160-F178 HydrophobicContact CG1-CD1 4.17Å; V160-N179 WeakPolarHBondContact CG2-O 3.39Å
161T81.7Confident79.3Confident82 Ų8291.3 Ų91.350%0.50347%0.468SS..EExtended strand (participates in β ladder)trans-106.8124.4173.553.10000107.8Q159Q159-T161 HydrophobicContact CG-CG2 4.37Å
162N75.8Confident80Confident49 Ų4987.6 Ų87.626%0.26245%0.452SS..EExtended strand (participates in β ladder)trans-108.898.3171.7-160.4-14.1000107.5A143 T164 A177 F178A143-N162 PolarHBondContact N-O 2.84Å; A143-N162 VanDerWaalsContact N-O 3.14Å; A143-N162 PolarHBondContact O-N 2.86Å; N162-T164 VanDerWaalsContact C-N 3.31Å; N162-T164 PolarHBondContact O-N 2.8Å; N162-T164 VanDerWaalsContact O-N 3.14Å; N162-T164 WeakPolarHBondContact OD1-CG2 3.49Å; N162-A177 PolarHBondContact ND2-O 3.14Å; N162-F178 HydrophobicContact CB-CD1 4.17Å; N162-F178 HydrophobicContact CB-CE1 3.87Å
163L75.8Confident80.9Confident129 Ų12982.7 Ų82.768%0.67543%0.43SS*.  trans-82.382.7174.6-72.1108.2000108.4N142N142-L163 WeakPolarHBondContact OD1-CD2 3.27Å
164T71.1Confident81.5Confident45 Ų4586.3 Ų86.328%0.27644%0.436SS..  trans-121.6122.1173.350.30000109.2N162 V166N162-T164 VanDerWaalsContact C-N 3.31Å; N162-T164 PolarHBondContact O-N 2.8Å; N162-T164 VanDerWaalsContact O-N 3.14Å; N162-T164 WeakPolarHBondContact OD1-CG2 3.49Å; T164-V166 PolarHBondContact O-N 3.25Å
165E82.8Confident81.7Confident157 Ų15781.4 Ų81.473%0.73443%0.429SS*.  trans-78.2102.4165.5-168.8175.5-175.100108.9V140V140-E165 CarbonylContact O-C 3.54Å; V140-E165 WeakPolarHBondContact O-CA 3.32Å
166V85Confident81.7Confident42 Ų4273.9 Ų73.926%0.25540%0.401SS..EExtended strand (participates in β ladder)trans-116.4118.4179.8-176.50000109.5V140 T164 V168 R174V140-V166 PolarHBondContact N-O 2.75Å; V140-V166 PolarHBondContact O-N 2.78Å; T164-V166 PolarHBondContact O-N 3.25Å; V166-V168 PolarHBondContact O-N 2.91Å; V166-R174 HydrophobicContact CG1-CG 4.43Å
167A87.2Confident81.6Confident60 Ų6071.4 Ų71.450%0.49639%0.39SS..EExtended strand (participates in β ladder)trans-75.6116.8170.200000109.9T137 P169T137-A167 HydrophobicContact CG2-CB 4.23Å; A167-P169 WeakPolarHBondContact O-CD 3.2Å
168V85.6Confident81.6Confident1 Ų168.9 Ų68.91%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-98.9109.3172.8-172.10000107.6I130 N132 I138 V140 V166 R174I130-V168 HydrophobicContact CG2-CG2 4.43Å; N132-V168 HydrophobicContact CB-CB 4.3Å; N132-V168 HydrophobicContact CB-CG1 3.6Å; N132-V168 PolarHBondContact ND2-O 3.11Å; I138-V168 HydrophobicContact CD1-CB 4.22Å; I138-V168 HydrophobicContact CG1-CB 3.73Å; I138-V168 HydrophobicContact CG1-CG2 4.27Å; I138-V168 PolarHBondContact N-O 2.84Å; I138-V168 VanDerWaalsContact N-O 3.13Å; I138-V168 PolarHBondContact O-N 3.4Å; V140-V168 HydrophobicContact CG2-CG2 3.87Å; V166-V168 PolarHBondContact O-N 2.91Å; V168-R174 HydrophobicContact CB-CG 4.24Å; V168-R174 HydrophobicContact CG1-CB 4.37Å; V168-R174 HydrophobicContact CG1-CG 3.98Å; V168-R174 HydrophobicContact CG2-CB 3.99Å; V168-R174 HydrophobicContact CG2-CG 3.92Å
169P87.5Confident81.6Confident49 Ų4972.7 Ų72.732%0.31839%0.39SS..  trans-57.9162-178.6-2333.5000112.6N132 A167 R171 S172N132-P169 PolarHBondContact ND2-O 2.79Å; N132-P169 VanDerWaalsContact ND2-O 3.09Å; A167-P169 WeakPolarHBondContact O-CD 3.2Å; P169-R171 PolarHBondContact O-N 2.77Å; P169-S172 WeakPolarHBondContact O-CB 3.39Å; P169-S172 PolarHBondContact O-N 2.87Å
170L87.7Confident80.9Confident95 Ų9566.7 Ų66.750%0.49736%0.363SS..THydrogen-bonded Turntrans-52.7137.6172.465.193.1000110.8S172L170-S172 PolarHBondContact O-N 2.81Å; L170-S172 VanDerWaalsContact O-N 3.07Å
171R82.9Confident80.1Confident181 Ų18170.7 Ų70.768%0.68339%0.387SS*.THydrogen-bonded Turntrans48.736.9177.9-59.4-169.865.7-177.9-0.3114.2N132 N134 P169N132-R171 WeakPolarHBondContact O-CA 3.16Å; N132-R171 PolarHBondContact O-N 2.78Å; N134-R171 PolarHBondContact O-N 3.4Å; P169-R171 PolarHBondContact O-N 2.77Å
172S86.5Confident79.2Confident42 Ų4268 Ų6829%0.29437%0.369SS..  trans-127.1161.9-177.9-168.30000110.9N132 P169 L170N132-S172 PolarHBondContact N-O 2.86Å; N132-S172 PolarHBondContact O-N 2.89Å; P169-S172 WeakPolarHBondContact O-CB 3.39Å; P169-S172 PolarHBondContact O-N 2.87Å; L170-S172 PolarHBondContact O-N 2.81Å; L170-S172 VanDerWaalsContact O-N 3.07Å
173S85.7Confident78.4Confident59 Ų5970.6 Ų70.641%0.41339%0.387SS..EExtended strand (participates in β ladder)trans-116.3147.6173.856.90000110.8I130I130-S173 CarbonylContact O-C 3.54Å; I130-S173 WeakPolarHBondContact O-CA 3.25Å
174R84.4Confident77.8Confident127 Ų12769 Ų6948%0.47938%0.375SS..EExtended strand (participates in β ladder)trans-135.6135.4173.9-71.9-65.1-167.8-177.8-0.6109.2I130 V166 V168I130-R174 PolarHBondContact N-O 2.78Å; I130-R174 PolarHBondContact O-N 2.84Å; V166-R174 HydrophobicContact CG1-CG 4.43Å; V168-R174 HydrophobicContact CB-CG 4.24Å; V168-R174 HydrophobicContact CG1-CB 4.37Å; V168-R174 HydrophobicContact CG1-CG 3.98Å; V168-R174 HydrophobicContact CG2-CB 3.99Å; V168-R174 HydrophobicContact CG2-CG 3.92Å
175T82.1Confident77.2Confident96 Ų9671.7 Ų71.759%0.58939%0.388SS*.EExtended strand (participates in β ladder)trans-94.3132.2175.748.80000110.2L128 N129L128-T175 CarbonylContact O-C 3.59Å; L128-T175 VanDerWaalsContact O-CA 3.32Å; L128-T175 WeakPolarHBondContact O-CA 3.35Å; N129-T175 HydrophobicContact CB-CG2 4.26Å
176I78.8Confident76.1Confident9 Ų967 Ų675%0.04637%0.37CS..EExtended strand (participates in β ladder)trans-112.2129.8172.6-60-171.7000108.2F127 L128 I130 V140 A143 F178F127-I176 WeakPolarHBondContact CA-O 3.48Å; L128-I176 PolarHBondContact N-O 2.89Å; L128-I176 PolarHBondContact O-N 2.86Å; I130-I176 HydrophobicContact CD1-CD1 3.4Å; I130-I176 HydrophobicContact CD1-CG1 3.96Å; V140-I176 HydrophobicContact CG1-CD1 4.11Å; A143-I176 HydrophobicContact CB-CD1 4.27Å; I176-F178 HydrophobicContact CB-CE2 4.43Å; I176-F178 HydrophobicContact CG2-CD2 4.42Å; I176-F178 HydrophobicContact CG2-CE2 3.94Å; I176-F178 HydrophobicContact CG2-CZ 4.15Å
177A79.3Confident75.3Confident39 Ų3965.3 Ų65.332%0.32236%0.361SS..EExtended strand (participates in β ladder)trans-92.5135.517500000110.8V125 K126 F127 N162V125-A177 HydrophobicContact CG1-CB 3.84Å; K126-A177 CarbonylContact O-C 3.59Å; K126-A177 WeakPolarHBondContact O-CA 3.33Å; F127-A177 HydrophobicContact CD1-CB 4.02Å; F127-A177 HydrophobicContact CE1-CB 3.89Å; N162-A177 PolarHBondContact ND2-O 3.14Å
178F76.9Confident74.7Confident3 Ų363.7 Ų63.71%0.01334%0.343CS..EExtended strand (participates in β ladder)trans-117.2119.5172.1-68.6-87.3000109.5V125 K126 L128 A143 M145 V160 N162 I176 T180 V191V125-F178 CarbonylContact C-O 3.52Å; V125-F178 WeakPolarHBondContact CA-O 3.48Å; K126-F178 HydrophobicContact CB-CB 4.47Å; K126-F178 PolarHBondContact N-O 3.08Å; K126-F178 PolarHBondContact O-N 3.43Å; L128-F178 HydrophobicContact CB-CD2 4.43Å; L128-F178 HydrophobicContact CB-CE2 3.94Å; L128-F178 HydrophobicContact CD2-CE2 4.26Å; A143-F178 HydrophobicContact CB-CE1 4.17Å; A143-F178 HydrophobicContact CB-CZ 3.64Å; M145-F178 HydrophobicContact CB-CD1 3.78Å; M145-F178 HydrophobicContact CB-CE1 3.98Å; M145-F178 HydrophobicContact CB-CG 4.16Å; M145-F178 HydrophobicContact SD-CB 3.62Å; M145-F178 HydrophobicContact SD-CD1 4.37Å; M145-F178 HydrophobicContact SD-CG 4.04Å; V160-F178 HydrophobicContact CG1-CD1 4.17Å; N162-F178 HydrophobicContact CB-CD1 4.17Å; N162-F178 HydrophobicContact CB-CE1 3.87Å; I176-F178 HydrophobicContact CB-CE2 4.43Å; I176-F178 HydrophobicContact CG2-CD2 4.42Å; I176-F178 HydrophobicContact CG2-CE2 3.94Å; I176-F178 HydrophobicContact CG2-CZ 4.15Å; F178-T180 PolarHBondContact O-N 2.81Å; F178-V191 HydrophobicContact CE2-CG1 4.01Å; F178-V191 HydrophobicContact CZ-CG1 3.94Å
179N73.9Confident74.2Confident99 Ų9963.8 Ų63.853%0.52934%0.344SS..EExtended strand (participates in β ladder)trans-83.7109.2172.9-66.5-0.9000107.8V123 V125 V160V123-N179 HydrophobicContact CG1-CB 3.88Å; V125-N179 WeakPolarHBondContact CG2-OD1 3.06Å; V160-N179 WeakPolarHBondContact CG2-O 3.39Å
180T68Low73.9Confident3 Ų363 Ų632%0.01834%0.338CS..  trans-109.6149.1178-179.40000110V123 P124 K126 M145 F178 I182V123-T180 WeakPolarHBondContact CG1-O 3.14Å; P124-T180 HydrophobicContact CB-CG2 4.01Å; P124-T180 WeakPolarHBondContact CD-O 3.38Å; P124-T180 HydrophobicContact CG-CG2 4.16Å; P124-T180 WeakPolarHBondContact CG-O 3.48Å; P124-T180 WeakPolarHBondContact O-CG2 3.19Å; P124-T180 PolarHBondContact O-N 3.45Å; P124-T180 VanDerWaalsContact O-O 3.09Å; K126-T180 HydrophobicContact CG-CG2 4.13Å; M145-T180 HydrophobicContact CE-CG2 3.74Å; F178-T180 PolarHBondContact O-N 2.81Å; T180-I182 PolarHBondContact OG1-N 3.28Å
181T63.9Low73.5Confident118 Ų11858.6 Ų58.672%0.72432%0.315SS*.  trans-108.220.6178.658.20000111.8
182I63Low73.6Confident24 Ų2451.3 Ų51.312%0.12329%0.291CS..  trans-119.1121.1-161.4-58.4172.3000110S147 G158 T180 F184S147-I182 WeakPolarHBondContact OG-CD1 3.36Å; G158-I182 VanDerWaalsContact CA-CD1 3.45Å; T180-I182 PolarHBondContact OG1-N 3.28Å; I182-F184 HydrophobicContact CG2-CD2 3.31Å; I182-F184 HydrophobicContact CG2-CE2 3.58Å; I182-F184 HydrophobicContact CG2-CG 4.44Å
183T58.8Low73.5Confident105 Ų10549.5 Ų49.564%0.64428%0.278SS*.  trans-125.432.2-17257.70000113P124P124-T183 HydrophobicContact CG-CG2 4.27Å
184F62.4Low73.6Confident95 Ų9548.3 Ų48.342%0.41727%0.268SS..  trans-76.8144.7-177.2-61.4-69.9000113.1L149 V157 I182 T186L149-F184 HydrophobicContact CD1-CB 4.13Å; L149-F184 HydrophobicContact CD1-CG 4.17Å; V157-F184 HydrophobicContact CB-CD2 4.47Å; V157-F184 HydrophobicContact CB-CE2 4.06Å; V157-F184 HydrophobicContact CG1-CD2 4.02Å; V157-F184 HydrophobicContact CG1-CE2 3.19Å; V157-F184 HydrophobicContact CG1-CZ 3.65Å; I182-F184 HydrophobicContact CG2-CD2 3.31Å; I182-F184 HydrophobicContact CG2-CE2 3.58Å; I182-F184 HydrophobicContact CG2-CG 4.44Å; F184-T186 PolarHBondContact O-N 2.92Å
185D58.4Low73.6Confident102 Ų10242.4 Ų42.455%0.54525%0.247SC..SBendtrans-58.7-28.6-179.3-62.3-29.7000113.9
186T60.7Low73.8Confident57 Ų5741.4 Ų41.435%0.3524%0.235SC..EExtended strand (participates in β ladder)trans-142.993.5178.352.30000112.1L151 F184L151-T186 WeakPolarHBondContact CD1-OG1 3.36Å; L151-T186 WeakPolarHBondContact CG-OG1 3.48Å; F184-T186 PolarHBondContact O-N 2.92Å
187A67.6Low74Confident8 Ų842 Ų427%0.06624%0.237CC..EExtended strand (participates in β ladder)trans-125.2134.3172.800000110.9I148 Q210I148-A187 CarbonylContact O-C 3.58Å; I148-A187 WeakPolarHBondContact O-CA 3.12Å; A187-Q210 PolarHBondContact O-N 2.82Å; A187-Q210 VanDerWaalsContact O-N 3.07Å
188L74.1Confident74.1Confident25 Ų2545.6 Ų45.613%0.13125%0.25CC..EExtended strand (participates in β ladder)trans-82.8117.8164.7175.972.5000107.6I148 V150 V190 N209I148-L188 HydrophobicContact CB-CB 4.35Å; I148-L188 HydrophobicContact CD1-CD2 4.48Å; I148-L188 PolarHBondContact N-O 2.79Å; I148-L188 PolarHBondContact O-N 2.79Å; V150-L188 HydrophobicContact CG2-CB 3.92Å; L188-V190 HydrophobicContact CD2-CG2 4.05Å; L188-V190 HydrophobicContact CG-CG2 4.07Å; L188-N209 WeakPolarHBondContact CD1-OD1 3.37Å
189L75.6Confident74.2Confident4 Ų448.6 Ų48.62%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-92.2125.7172.2-163.981.3000110.3K126 M145 V191 S207 T208K126-L189 HydrophobicContact CD-CD2 3.74Å; M145-L189 HydrophobicContact CE-CD1 3.1Å; M145-L189 HydrophobicContact CE-CD2 3.99Å; M145-L189 HydrophobicContact CE-CG 4.06Å; M145-L189 HydrophobicContact CG-CD1 3.61Å; M145-L189 HydrophobicContact CG-CD2 4.12Å; M145-L189 HydrophobicContact CG-CG 3.99Å; M145-L189 HydrophobicContact SD-CD1 4.13Å; L189-V191 HydrophobicContact CD2-CG2 3.66Å; L189-V191 HydrophobicContact CG-CG2 4.23Å; L189-S207 CarbonylContact O-C 3.51Å; L189-S207 WeakPolarHBondContact O-CA 3.35Å; L189-T208 HydrophobicContact CB-CG2 3.64Å; L189-T208 HydrophobicContact CD2-CG2 3.74Å; L189-T208 HydrophobicContact CG-CG2 4.29Å; L189-T208 PolarHBondContact N-O 3.4Å; L189-T208 PolarHBondContact O-N 2.77Å
190V80.4Confident74.5Confident31 Ų3149.1 Ų49.119%0.18828%0.281CS..EExtended strand (participates in β ladder)trans-115.8118.4173.3-175.90000108.1M145 V146 I148 L188 T192 I206M145-V190 CarbonylContact C-O 3.55Å; V146-V190 PolarHBondContact N-O 3.13Å; V146-V190 PolarHBondContact O-N 3.07Å; I148-V190 HydrophobicContact CD1-CG2 3.96Å; L188-V190 HydrophobicContact CD2-CG2 4.05Å; L188-V190 HydrophobicContact CG-CG2 4.07Å; V190-T192 HydrophobicContact CG1-CG2 4.26Å; V190-I206 CarbonylContact C-O 3.59Å; V190-I206 WeakPolarHBondContact CA-O 2.96Å
191V80.5Confident75.2Confident4 Ų452.6 Ų52.62%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-108.5122.8175.2-169.50000108.5L128 S144 M145 F178 L189 V193 S205 I206L128-V191 HydrophobicContact CD1-CB 4.47Å; L128-V191 HydrophobicContact CD1-CG1 4.33Å; L128-V191 HydrophobicContact CD2-CG1 3.71Å; S144-V191 CarbonylContact O-C 3.56Å; S144-V191 WeakPolarHBondContact O-CA 3.46Å; M145-V191 HydrophobicContact CB-CG2 4.32Å; M145-V191 HydrophobicContact CG-CG2 4.29Å; F178-V191 HydrophobicContact CE2-CG1 4.01Å; F178-V191 HydrophobicContact CZ-CG1 3.94Å; L189-V191 HydrophobicContact CD2-CG2 3.66Å; L189-V191 HydrophobicContact CG-CG2 4.23Å; V191-V193 HydrophobicContact CG1-CG2 4.42Å; V191-S205 CarbonylContact O-C 3.53Å; V191-S205 VanDerWaalsContact O-CA 3.27Å; V191-S205 WeakPolarHBondContact O-CA 3.34Å; V191-I206 HydrophobicContact CB-CG2 3.98Å; V191-I206 PolarHBondContact N-O 2.81Å; V191-I206 PolarHBondContact O-N 2.79Å
192T84.4Confident76.2Confident27 Ų2749.7 Ų49.717%0.16628%0.283CS..EExtended strand (participates in β ladder)trans-112.1128.4177.457.50000109A143 S144 V190 T204A143-T192 CarbonylContact C-O 3.53Å; A143-T192 WeakPolarHBondContact CA-O 3.15Å; S144-T192 PolarHBondContact N-O 3.06Å; S144-T192 PolarHBondContact O-N 3.09Å; S144-T192 PolarHBondContact O-OG1 3.45Å; S144-T192 PolarHBondContact OG-OG1 3.2Å; V190-T192 HydrophobicContact CG1-CG2 4.26Å; T192-T204 WeakPolarHBondContact CA-O 3.04Å
193V85.3Confident77.3Confident5 Ų555 Ų553%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-120.5128.3179.1-178.50000108L105 L128 I130 V140 A143 V191 Q203 T204L105-V193 HydrophobicContact CD1-CB 4.1Å; L105-V193 HydrophobicContact CD1-CG2 3.9Å; L105-V193 HydrophobicContact CD2-CB 4.13Å; L105-V193 HydrophobicContact CD2-CG2 3.92Å; L128-V193 HydrophobicContact CD2-CG2 3.57Å; I130-V193 HydrophobicContact CD1-CG1 4Å; I130-V193 HydrophobicContact CD1-CG2 4.25Å; V140-V193 HydrophobicContact CG1-CG1 3.58Å; V140-V193 HydrophobicContact CG2-CG1 4.25Å; A143-V193 HydrophobicContact CB-CG2 4.34Å; V191-V193 HydrophobicContact CG1-CG2 4.42Å; V193-Q203 WeakPolarHBondContact O-CA 3.44Å; V193-T204 PolarHBondContact N-O 2.85Å; V193-T204 PolarHBondContact O-N 3.17Å
194T86.6Confident78.4Confident34 Ų3451.5 Ų51.521%0.20929%0.286CS..EExtended strand (participates in β ladder)trans-105.7117.3174-49.60000108.2V141 N142 E202V141-T194 PolarHBondContact N-O 2.86Å; N142-T194 PolarHBondContact N-O 3.34Å; N142-T194 PolarHBondContact O-N 2.83Å; T194-E202 WeakPolarHBondContact CA-O 3.39Å
195S84.4Confident79.4Confident3 Ų350.9 Ų50.92%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-112.5151178.968.60000110.4I103 S139 S201 E202I103-S195 WeakPolarHBondContact CD1-OG 3.43Å; S139-S195 CarbonylContact O-C 3.52Å; S139-S195 VanDerWaalsContact O-CA 3.3Å; S139-S195 WeakPolarHBondContact O-CA 3.39Å; S195-S201 CarbonylContact O-C 3.48Å; S195-S201 VanDerWaalsContact O-CA 3.32Å; S195-S201 WeakPolarHBondContact O-CA 3.45Å; S195-E202 PolarHBondContact N-O 3.07Å; S195-E202 PolarHBondContact O-N 2.95Å; S195-E202 PolarHBondContact OG-O 2.86Å
196H86.1Confident80.5Confident75 Ų7548 Ų4835%0.34728%0.278SS..EExtended strand (participates in β ladder)trans-125.9131.2178-178.8-98.1000109.9S139 V141 G199 H200S139-H196 PolarHBondContact N-O 3.07Å; S139-H196 PolarHBondContact O-N 3.11Å; S139-H196 WeakPolarHBondContact OG-CB 3.09Å; S139-H196 PolarHBondContact OG-O 2.69Å; V141-H196 HydrophobicContact CG2-CB 3.91Å; H196-G199 VanDerWaalsContact NE2-CA 3.28Å; H196-G199 WeakPolarHBondContact NE2-CA 3.41Å; H196-H200 WeakPolarHBondContact CA-O 3.13Å; H196-H200 PolarHBondContact CD2-O 3.07Å; H196-H200 VanDerWaalsContact CD2-O 3.23Å
197Y83.3Confident81.3Confident20 Ų2049.2 Ų49.28%0.07829%0.289CS..EExtended strand (participates in β ladder)trans-151.9139.8177.358.2-96000109.9P100 I103 I138 G199 H200 E202P100-Y197 HydrophobicContact CB-CD2 4.45Å; P100-Y197 HydrophobicContact CB-CE2 3.53Å; P100-Y197 WeakPolarHBondContact CB-OH 3.48Å; P100-Y197 HydrophobicContact CG-CE2 4.06Å; I103-Y197 HydrophobicContact CD1-CD1 4.34Å; I103-Y197 HydrophobicContact CD1-CE1 4.06Å; I138-Y197 HydrophobicContact CG2-CD1 4.21Å; I138-Y197 HydrophobicContact CG2-CG 4.45Å; Y197-G199 PolarHBondContact O-N 3.19Å; Y197-H200 PolarHBondContact N-O 3.18Å; Y197-H200 PolarHBondContact O-N 2.75Å; Y197-H200 VanDerWaalsContact O-O 3.09Å; Y197-E202 HydrophobicContact CE1-CB 3.77Å; Y197-E202 VanDerWaalsContact CE1-OE2 3.25Å; Y197-E202 WeakPolarHBondContact CE1-OE2 3.44Å; Y197-E202 VanDerWaalsContact CZ-OE2 3.29Å; Y197-E202 PolarHBondContact OH-OE2 3.48Å
198L80.8Confident81.4Confident115 Ų11550.1 Ų50.160%0.60229%0.293SS*.THydrogen-bonded Turntrans51.330.6178.2-63.8174.9000115.3L98 L136 H200L98-L198 HydrophobicContact CD2-CD1 4.38Å; L136-L198 HydrophobicContact CD1-CD1 4.45Å; L136-L198 HydrophobicContact CD2-CD1 4.02Å; L136-L198 HydrophobicContact CD2-CD2 3.75Å; L136-L198 HydrophobicContact CD2-CG 3.97Å; L198-H200 VanDerWaalsContact C-N 3.26Å; L198-H200 PolarHBondContact O-N 3.13Å
199G79.1Confident81.1Confident66 Ų6654.6 Ų54.668%0.6832%0.317SS*.THydrogen-bonded Turntrans79.94.1-177.500000114.4H196 Y197H196-G199 VanDerWaalsContact NE2-CA 3.28Å; H196-G199 WeakPolarHBondContact NE2-CA 3.41Å; Y197-G199 PolarHBondContact O-N 3.19Å
200H80.4Confident80.4Confident110 Ų11056.1 Ų56.151%0.50933%0.325SS..EExtended strand (participates in β ladder)trans-108.6140.3175.6-169.9-86.4000110.4H196 Y197 L198H196-H200 WeakPolarHBondContact CA-O 3.13Å; H196-H200 PolarHBondContact CD2-O 3.07Å; H196-H200 VanDerWaalsContact CD2-O 3.23Å; Y197-H200 PolarHBondContact N-O 3.18Å; Y197-H200 PolarHBondContact O-N 2.75Å; Y197-H200 VanDerWaalsContact O-O 3.09Å; L198-H200 VanDerWaalsContact C-N 3.26Å; L198-H200 PolarHBondContact O-N 3.13Å
201S84.3Confident79.2Confident77 Ų7762.8 Ų62.854%0.53835%0.346SS..EExtended strand (participates in β ladder)trans-103.3126171.859.70000110.4S195S195-S201 CarbonylContact O-C 3.48Å; S195-S201 VanDerWaalsContact O-CA 3.32Å; S195-S201 WeakPolarHBondContact O-CA 3.45Å
202E83.3Confident77.9Confident56 Ų5666.1 Ų66.126%0.26236%0.363SS..EExtended strand (participates in β ladder)trans-115.9136.9174.1-173.8-178.8170.200110.2T194 S195 Y197T194-E202 WeakPolarHBondContact CA-O 3.39Å; S195-E202 PolarHBondContact N-O 3.07Å; S195-E202 PolarHBondContact O-N 2.95Å; S195-E202 PolarHBondContact OG-O 2.86Å; Y197-E202 HydrophobicContact CE1-CB 3.77Å; Y197-E202 VanDerWaalsContact CE1-OE2 3.25Å; Y197-E202 WeakPolarHBondContact CE1-OE2 3.44Å; Y197-E202 VanDerWaalsContact CZ-OE2 3.29Å; Y197-E202 PolarHBondContact OH-OE2 3.48Å
203Q86.5Confident76.3Confident137 Ų13772.4 Ų72.464%0.6439%0.385SS*.EExtended strand (participates in β ladder)trans-108.5126.1174.5-174.6173.274.200110.1V193V193-Q203 WeakPolarHBondContact O-CA 3.44Å
204T82.7Confident74.5Confident30 Ų3077.3 Ų77.318%0.18442%0.419CS..EExtended strand (participates in β ladder)trans-121.3138.6176.3-48.10000109L105 T192 V193L105-T204 HydrophobicContact CD1-CG2 3.7Å; L105-T204 WeakPolarHBondContact CD1-O 3.42Å; L105-T204 HydrophobicContact CG-CG2 3.88Å; T192-T204 WeakPolarHBondContact CA-O 3.04Å; V193-T204 PolarHBondContact N-O 2.85Å; V193-T204 PolarHBondContact O-N 3.17Å
205S83.2Confident72.9Confident82 Ų8279.4 Ų79.457%0.57344%0.435SS*.EExtended strand (participates in β ladder)trans-126.4138.6179.963.90000111.6V191V191-S205 CarbonylContact O-C 3.53Å; V191-S205 VanDerWaalsContact O-CA 3.27Å; V191-S205 WeakPolarHBondContact O-CA 3.34Å
206I81.2Confident71.4Confident42 Ų4284.8 Ų84.822%0.21547%0.473CS..EExtended strand (participates in β ladder)trans-122.1143.1170.2-176.8161.6000109.2L105 L128 V190 V191L105-I206 HydrophobicContact CB-CB 4.22Å; L105-I206 HydrophobicContact CB-CG2 4.03Å; L105-I206 HydrophobicContact CD1-CG2 4.15Å; L105-I206 WeakPolarHBondContact O-CD1 3.21Å; L128-I206 HydrophobicContact CD1-CG2 3.93Å; V190-I206 CarbonylContact C-O 3.59Å; V190-I206 WeakPolarHBondContact CA-O 2.96Å; V191-I206 HydrophobicContact CB-CG2 3.98Å; V191-I206 PolarHBondContact N-O 2.81Å; V191-I206 PolarHBondContact O-N 2.79Å
207S77.7Confident69.7Low82 Ų8286.6 Ų86.657%0.57349%0.485SS*.EExtended strand (participates in β ladder)trans-121.6131.6174.864.50000111.2L189L189-S207 CarbonylContact O-C 3.51Å; L189-S207 WeakPolarHBondContact O-CA 3.35Å
208T70.3Confident68Low27 Ų2791.2 Ų91.217%0.16652%0.517CS..EExtended strand (participates in β ladder)trans-124.1141.5176176.30000110E109 L189E109-T208 WeakPolarHBondContact OE2-CB 3.09Å; E109-T208 WeakPolarHBondContact OE2-CG2 3.37Å; E109-T208 PolarHBondContact OE2-OG1 2.81Å; L189-T208 HydrophobicContact CB-CG2 3.64Å; L189-T208 HydrophobicContact CD2-CG2 3.74Å; L189-T208 HydrophobicContact CG-CG2 4.29Å; L189-T208 PolarHBondContact N-O 3.4Å; L189-T208 PolarHBondContact O-N 2.77Å
209N66.6Low66.2Low119 Ų11989.1 Ų89.164%0.63651%0.512SS*.EExtended strand (participates in β ladder)trans-96.9126.9176.5-73-45.1000108.7L188L188-N209 WeakPolarHBondContact CD1-OD1 3.37Å
210Q61.4Low65Low37 Ų3794.1 Ų94.117%0.17352%0.522CS..EExtended strand (participates in β ladder)trans-100.1132.5172.3-62.3-158.8-60.300110.6E109 A187E109-Q210 PolarHBondContact OE1-NE2 2.77Å; A187-Q210 PolarHBondContact O-N 2.82Å; A187-Q210 VanDerWaalsContact O-N 3.07Å
211R55.3Low63.9Low170 Ų17096.7 Ų96.764%0.64254%0.535SS*.EExtended strand (participates in β ladder)trans-124.8120.5167.6-68-176.8179.2160.7-0.6106.9Y213R211-Y213 HydrophobicContact CB-CE2 4.09Å
212L52.5Low62.3Low74 Ų74100.4 Ų100.439%0.38755%0.549SS..  trans-88.7124.1169.9-144109.6000107.4
213Y50.6Low60.6Low159 Ų159103.6 Ų103.662%0.62457%0.566SS**  trans-95.1106170.8-67-88.3000107.7R211 S215R211-Y213 HydrophobicContact CB-CE2 4.09Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.11Å; Y213-S215 VanDerWaalsContact O-N 3.11Å
214C47.5Very low58.3Low109 Ų109107 Ų10774%0.73660%0.596SS**  trans-78.486.9166.3-66.80000107.7
215S54.1Low57.1Low78 Ų78110.9 Ų110.955%0.54562%0.617SS.*  trans-89.6128.1165.9-173.70000109.1Y213 D217Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.11Å; Y213-S215 VanDerWaalsContact O-N 3.11Å; S215-D217 PolarHBondContact OG-N 3.31Å; S215-D217 PolarHBondContact OG-O 3Å
216S53.4Low55.7Low116 Ų116112.4 Ų112.481%0.81162%0.619SS**SBendtrans-79.4-2.5171.348.20000113.1
217D50.5Low54.3Low113 Ų113116.3 Ų116.360%0.60464%0.642SS**SBendtrans-114.4128.9-178.5-87.2-43.7000112.3S215 S219S215-D217 PolarHBondContact OG-N 3.31Å; S215-D217 PolarHBondContact OG-O 3Å; D217-S219 PolarHBondContact O-N 3.24Å
218P45.8Very low52.9Low117 Ų117118.3 Ų118.376%0.7665%0.646SS**  trans-80.854.2172.636.2-34.8000110.4
219S44.8Very low51.8Low71 Ų71124 Ų12450%0.49768%0.676SS.*  trans-89.6115.3171.549.90000110.2D217 E221D217-S219 PolarHBondContact O-N 3.24Å; S219-E221 PolarHBondContact O-N 2.88Å
220L53.8Low50.8Low170 Ų170124.3 Ų124.389%0.8968%0.678SS**THydrogen-bonded Turntrans-69.459.3174.1-172.282.7000110.7
221E56Low50.1Low165 Ų165130.6 Ų130.677%0.77172%0.715SS**THydrogen-bonded Turntrans-138.4-9.6-177.7-75.6-170.113300116S219S219-E221 PolarHBondContact O-N 2.88Å
222D51.4Low49.7Very low155 Ų155127.5 Ų127.583%0.82972%0.72SS**SBendtrans-97.215.4-178.1-85.7-24.7000115.1
223I47.8Very low49.4Very low122 Ų122132 Ų13263%0.62675%0.748SS**  trans-121.175.3179.6-48.7162.7000109.3V113V113-I223 HydrophobicContact CB-CD1 4.41Å; V113-I223 HydrophobicContact CG1-CD1 3.98Å; V113-I223 HydrophobicContact CG2-CD1 3.63Å; V113-I223 HydrophobicContact CG2-CG1 4.05Å
224T37.6Very low49.3Very low209 Ų209129.5 Ų129.5100%1.28276%0.759SS**  trans-1400158.7-9.50000110.8

Retrieved 224 of 224 residues in 759 ms (Link to these results)