A0A096MPE6_PAPAN Loading...

Midkine

Secreted protein that functions as cytokine and growth factor and mediates its signal through cell-surface proteoglycan and non-proteoglycan receptors. Regulates many processes like inflammatory response, cell proliferation, cell adhesion, cell growth, cell survival, tissue regeneration, cell differentiation and cell migration.

AlphaFold DB (P21741), UniProt , Accession A0A096MPE6, Species PAPAN (Papio anubis, Olive baboon), Gene MDK, Length 143 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
1M49.5Very low60.2Low234 Ų234138.9 Ų138.9100%1.15369%0.689SS**  059.70-77.2-71.4-170.200110.9
2Q59.7Low60.2Low171 Ų171138.3 Ų138.380%0.79969%0.689SS**  trans-136.4-3.5-172.3-126.2174.1-20.800114.8
3H58.1Low60.3Low158 Ų158132.3 Ų132.373%0.73167%0.674SS**Hα-helixtrans-89.5-18.8-178.5-59.4-63.5000113.9L7H3-L7 PolarHBondContact O-N 3.49Å
4R60.5Low60.2Low213 Ų213131.9 Ų131.980%0.80467%0.673SS**Hα-helixtrans-72.2-34.4179.6-94-179.9157.8167-5.8113.4L8R4-L8 PolarHBondContact O-N 3.48Å
5G57.4Low60Low46 Ų46131.3 Ų131.347%0.47467%0.671SS.*Hα-helixtrans-69.9-37177.800000112.9L8 L9G5-L8 PolarHBondContact O-N 3.4Å; G5-L9 PolarHBondContact O-N 3.29Å
6F60.3Low59.7Low159 Ų159127.8 Ų127.870%0.69767%0.669SS**Hα-helixtrans-70.5-37.4-177.4-145.7-94.7000112.3L9 T10F6-L9 PolarHBondContact O-N 3.03Å; F6-T10 HydrophobicContact CD1-CG2 4.46Å; F6-T10 WeakPolarHBondContact O-CG2 3.49Å; F6-T10 PolarHBondContact O-N 3.41Å; F6-T10 PolarHBondContact O-OG1 3.24Å
7L63.9Low59.5Low125 Ų125129.2 Ų129.265%0.65468%0.676SS**Hα-helixtrans-67.8-32176.2-97.1157.9000113.5H3 T10 L11H3-L7 PolarHBondContact O-N 3.49Å; L7-T10 PolarHBondContact O-OG1 3.42Å; L7-L11 PolarHBondContact O-N 3.45Å
8L64.3Low59.1Low112 Ų112128.2 Ų128.259%0.58668%0.676SS**Hα-helixtrans-74.3-37.6176.7-74.5165.9000111.7R4 G5 L11 L12R4-L8 PolarHBondContact O-N 3.48Å; G5-L8 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 3.22Å; L8-L12 WeakPolarHBondContact O-CD1 3.42Å; L8-L12 PolarHBondContact O-N 3.4Å
9L62.6Low58.4Low133 Ų133127 Ų12770%0.69668%0.68SS**Hα-helixtrans-65.1-38.5176.8-113.684.3000112.5G5 F6 A13G5-L9 PolarHBondContact O-N 3.29Å; F6-L9 PolarHBondContact O-N 3.03Å; L9-A13 PolarHBondContact O-N 3.45Å
10T64.9Low57.8Low65 Ų65125.6 Ų125.640%0.39969%0.686SS.*Hα-helixtrans-69-34.8178.753.80000112.2F6 L7 A13 L14F6-T10 HydrophobicContact CD1-CG2 4.46Å; F6-T10 WeakPolarHBondContact O-CG2 3.49Å; F6-T10 PolarHBondContact O-N 3.41Å; F6-T10 PolarHBondContact O-OG1 3.24Å; L7-T10 PolarHBondContact O-OG1 3.42Å; T10-A13 PolarHBondContact O-N 3.39Å; T10-L14 VanDerWaalsContact O-CD1 3.24Å; T10-L14 WeakPolarHBondContact O-CD1 3.24Å; T10-L14 PolarHBondContact O-N 3.38Å
11L61.4Low57.1Low112 Ų112125.1 Ų125.159%0.58669%0.687SS**Hα-helixtrans-68.6-38.7178.9-156.974.7000112.4L7 L8 A13 L14L7-L11 PolarHBondContact O-N 3.45Å; L8-L11 PolarHBondContact O-N 3.22Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.5Å; L11-L14 PolarHBondContact O-N 3.3Å
12L60Low56.9Low132 Ų132118.6 Ų118.669%0.69167%0.67SS**Hα-helixtrans-67-33.4175.5-92.8114.1000112.7L8 L14 L15L8-L12 WeakPolarHBondContact O-CD1 3.42Å; L8-L12 PolarHBondContact O-N 3.4Å; L12-L14 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.49Å
13A60.9Low56.1Low60 Ų60119.6 Ų119.650%0.49667%0.672SS.*Hα-helixtrans-67.5-33.6178.200000112.9L9 T10 L11L9-A13 PolarHBondContact O-N 3.45Å; T10-A13 PolarHBondContact O-N 3.39Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.5Å
14L58.8Low55.4Low126 Ų126120.8 Ų120.866%0.6668%0.675SS**Hα-helixtrans-72.5-32178.8-91.585.5000113.2T10 L11 L12 A16 L17T10-L14 VanDerWaalsContact O-CD1 3.24Å; T10-L14 WeakPolarHBondContact O-CD1 3.24Å; T10-L14 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 3.3Å; L12-L14 PolarHBondContact O-N 3.49Å; L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.42Å
15L57.6Low54.5Low123 Ų123120.4 Ų120.464%0.64468%0.679SS**Hα-helixtrans-72.5-22-178.1-80.6153.7000113.4L12 L17L12-L15 PolarHBondContact O-N 3.49Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.4Å
16A56Low53.9Low76 Ų76123.6 Ų123.663%0.62869%0.685SS**THydrogen-bonded Turntrans-74.4-14.4178.800000113.9L14L14-A16 VanDerWaalsContact C-N 3.31Å; L14-A16 PolarHBondContact O-N 3.47Å
17L55.5Low53Low152 Ų152124.4 Ų124.480%0.79669%0.689SS**THydrogen-bonded Turntrans-93.1-5.3-173-73.6166.9000114.9L14 L15L14-L17 PolarHBondContact O-N 3.42Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.4Å
18T51.7Low52Low110 Ų110125.4 Ų125.468%0.67570%0.7SS**SBendtrans-101.11.3-173.150.70000116.1A20T18-A20 PolarHBondContact O-N 3.47Å
19S46.8Very low50.9Low106 Ų106129 Ų12974%0.74171%0.711SS**  trans-102.364.9-179.261.30000113.4
20A46.1Very low50.1Low98 Ų98132.8 Ų132.881%0.8172%0.721SS**  trans-154.236.216300000113.5T18 A22T18-A20 PolarHBondContact O-N 3.47Å; A20-A22 PolarHBondContact O-N 3.27Å
21V44Very low48.8Very low117 Ų117133 Ų13371%0.70974%0.736SS**  trans-90.351.2169.469.10000111.2K23V21-K23 HydrophobicContact CG2-CG 4.45Å; V21-K23 PolarHBondContact O-N 2.93Å; V21-K23 VanDerWaalsContact O-N 3.14Å
22A45Very low47.8Very low96 Ų96130.8 Ų130.879%0.79374%0.74SS**  trans-83.489169.100000109.4A20 K24A20-A22 PolarHBondContact O-N 3.27Å; A22-K24 PolarHBondContact O-N 3.14Å
23K42Very low47.1Very low192 Ų192130.9 Ų130.984%0.83575%0.749SS**  trans-53.491.2173.1-64.7-88.3-174.6176.30111.7V21V21-K23 HydrophobicContact CG2-CG 4.45Å; V21-K23 PolarHBondContact O-N 2.93Å; V21-K23 VanDerWaalsContact O-N 3.14Å
24K42.9Very low46.4Very low183 Ų183131.1 Ų131.180%0.79676%0.758SS**  trans-102.493.3162.9-159.4169.1-176.9177.30110.2A22 D26A22-K24 PolarHBondContact O-N 3.14Å; K24-D26 VanDerWaalsContact C-N 3.35Å; K24-D26 PolarHBondContact O-N 3.05Å
25K42.1Very low46.3Very low205 Ų205129.2 Ų129.289%0.89176%0.755SS**  trans-74.779.2-179.5-164.4-174.8-170.4-178.40109.4
26D44.6Very low46.5Very low113 Ų113130.8 Ų130.860%0.60476%0.759SS**  trans-115.1105.5174.8-103.2-63000112.2K24K24-D26 VanDerWaalsContact C-N 3.35Å; K24-D26 PolarHBondContact O-N 3.05Å
27K43.1Very low47.1Very low177 Ų177128 Ų12877%0.7774%0.735SS**  trans38.298.3152.4-59.7-170.8-174.3178.20116.3K29K27-K29 PolarHBondContact O-N 2.99Å
28V41.1Very low48Very low146 Ų146126 Ų12689%0.88574%0.74SS**  trans-42.390.9147.8169.60000109.3
29K41.9Very low49.6Very low188 Ų188129.1 Ų129.182%0.81775%0.747SS**  trans-92.4116.5150.3-85.7-176.6175.5175.20104.6K27 G31K27-K29 PolarHBondContact O-N 2.99Å; K29-G31 VanDerWaalsContact C-N 3.26Å; K29-G31 PolarHBondContact O-N 2.73Å
30K45Very low51.7Low211 Ų211125.8 Ų125.892%0.91772%0.718SS**  trans-4888.9169.8-82.1179.3161.1-179.10110.2
31G39.5Very low53.8Low69 Ų69124.3 Ų124.371%0.71171%0.706SS**  trans-116.6101.6148.800000104.1K29K29-G31 VanDerWaalsContact C-N 3.26Å; K29-G31 PolarHBondContact O-N 2.73Å
32G40.1Very low56.1Low66 Ų66123.6 Ų123.668%0.6869%0.691SS**  trans-59.8162.1174.600000111
33P45.5Very low58.4Low134 Ų134120.7 Ų120.787%0.8767%0.669SS**SBendtrans-70.6135.3-172.531.3-33.8000110.9
34G45.5Very low60.7Low66 Ų66116.9 Ų116.968%0.6866%0.664SS**  trans64.575.4158.600000115.8E36G34-E36 VanDerWaalsContact C-N 3.29Å; G34-E36 PolarHBondContact O-N 2.77Å
35S56.8Low63.1Low86 Ų86109.6 Ų109.660%0.60164%0.636SS**  trans-69.996.6155.460.80000107.5C37S35-C37 CarbonylContact O-C 3.59Å; S35-C37 PolarHBondContact O-N 3.22Å; S35-C37 PolarHBondContact OG-O 2.73Å
36E61.5Low65.4Low156 Ų156104.2 Ų104.273%0.72962%0.621SS**SBendtrans-49-17.916759.4-160.2105.100113.3G34 Q64G34-E36 VanDerWaalsContact C-N 3.29Å; G34-E36 PolarHBondContact O-N 2.77Å; E36-Q64 PolarHBondContact OE1-NE2 2.75Å; E36-Q64 PolarHBondContact OE2-NE2 3.14Å
37C67.7Low67.6Low18 Ų18100.7 Ų100.712%0.12260%0.604CS.*  trans-101.9110.1171.7-76.10000112.4S35 W40 C61S35-C37 CarbonylContact O-C 3.59Å; S35-C37 PolarHBondContact O-N 3.22Å; S35-C37 PolarHBondContact OG-O 2.73Å; C37-W40 HydrophobicContact CB-CZ2 4.17Å; C37-W40 PolarHBondContact O-NE1 2.97Å; C37-C61 HydrophobicContact CB-CB 3.47Å; C37-C61 VanDerWaalsContact CB-CB 3.47Å; C37-C61 WeakPolarHBondContact CB-SG 2.95Å; C37-C61 WeakPolarHBondContact SG-CB 2.83Å; C37-C61 CovalentContact SG-SG 2Å; C37-C61 PolarHBondContact SG-SG 3.42Å
38A75.7Confident69.7Low109 Ų10996.2 Ų96.290%0.90160%0.595SS**SBendtrans-71.4-31.8173.300000112.5
39E84.9Confident71.6Confident175 Ų17593 Ų9382%0.81858%0.579SS**  trans-124.6114-175.9-166.1168.1-16800110.3
40W90.7Very high73.5Confident37 Ų3793.1 Ų93.114%0.1458%0.58CS.*  trans-104.2131.7178-77.679.8000109.6C37 W42 G59 C61 Q64 Q66C37-W40 HydrophobicContact CB-CZ2 4.17Å; C37-W40 PolarHBondContact O-NE1 2.97Å; W40-W42 HydrophobicContact CB-CD2 4.34Å; W40-W42 HydrophobicContact CB-CZ2 3.77Å; W40-W42 VanDerWaalsContact CB-NE1 3.3Å; W40-W42 HydrophobicContact CD2-CH2 4.4Å; W40-W42 HydrophobicContact CD2-CZ2 4.06Å; W40-W42 HydrophobicContact CE3-CH2 4.3Å; W40-W42 HydrophobicContact CE3-CZ2 4.35Å; W40-W42 AromaticContact CG-CZ2 3.82Å; W40-W42 HydrophobicContact CG-CZ2 3.82Å; W40-W42 PolarHBondContact O-N 2Å; W40-G59 WeakPolarHBondContact CZ3-O 3.28Å; W40-C61 HydrophobicContact CD2-CB 3.84Å; W40-C61 HydrophobicContact CE3-CB 3.82Å; W40-C61 HydrophobicContact CG-CB 4.38Å; W40-C61 HydrophobicContact CH2-CB 4.16Å; W40-C61 HydrophobicContact CZ2-CB 4.21Å; W40-C61 HydrophobicContact CZ3-CB 3.98Å; W40-Q64 HydrophobicContact CH2-CB 3.84Å; W40-Q64 HydrophobicContact CZ3-CB 4.44Å; W40-Q66 HydrophobicContact CH2-CB 4.01Å; W40-Q66 HydrophobicContact CH2-CG 3.55Å; W40-Q66 HydrophobicContact CZ2-CG 4.29Å; W40-Q66 HydrophobicContact CZ3-CB 3.88Å; W40-Q66 HydrophobicContact CZ3-CG 3.94Å
41A91.1Very high75.3Confident67 Ų6788.9 Ų88.955%0.55457%0.567SS**EExtended strand (participates in β ladder)trans-81.9100.6170.900000109.3G59 T60A41-G59 WeakPolarHBondContact O-CA 3.24Å; A41-T60 PolarHBondContact N-O 3.09Å; A41-T60 PolarHBondContact O-N 3.05Å; A41-T60 VanDerWaalsContact O-N 3.09Å
42W92.5Very high77.5Confident102 Ų10287.3 Ų87.339%0.38655%0.545SS..EExtended strand (participates in β ladder)trans-91.7128.5-179.4-64101.5000112.3W40 R57 Q66 I68W40-W42 HydrophobicContact CB-CD2 4.34Å; W40-W42 HydrophobicContact CB-CZ2 3.77Å; W40-W42 VanDerWaalsContact CB-NE1 3.3Å; W40-W42 HydrophobicContact CD2-CH2 4.4Å; W40-W42 HydrophobicContact CD2-CZ2 4.06Å; W40-W42 HydrophobicContact CE3-CH2 4.3Å; W40-W42 HydrophobicContact CE3-CZ2 4.35Å; W40-W42 AromaticContact CG-CZ2 3.82Å; W40-W42 HydrophobicContact CG-CZ2 3.82Å; W40-W42 PolarHBondContact O-N 2Å; W42-R57 HydrophobicContact CE3-CG 4.01Å; W42-Q66 HydrophobicContact CH2-CB 4.41Å; W42-I68 HydrophobicContact CD2-CD1 4.36Å; W42-I68 HydrophobicContact CE3-CD1 4.07Å; W42-I68 HydrophobicContact CE3-CG1 4.15Å; W42-I68 HydrophobicContact CH2-CB 4.5Å; W42-I68 HydrophobicContact CH2-CD1 3.96Å; W42-I68 HydrophobicContact CH2-CG1 4.17Å; W42-I68 HydrophobicContact CH2-CG2 3.6Å; W42-I68 HydrophobicContact CZ2-CD1 4.2Å; W42-I68 HydrophobicContact CZ3-CB 4.35Å; W42-I68 HydrophobicContact CZ3-CD1 3.87Å; W42-I68 HydrophobicContact CZ3-CG1 3.75Å; W42-I68 HydrophobicContact CZ3-CG2 3.84Å
43G91.4Very high79.7Confident34 Ų3484.8 Ų84.835%0.35152%0.518SS..EExtended strand (participates in β ladder)trans-77.4-179.8170.400000114.1E58G43-E58 PolarHBondContact N-O 2.83Å
44P91.7Very high81.9Confident112 Ų11282.7 Ų82.773%0.72750%0.503SS*.EExtended strand (participates in β ladder)trans-64.7158.9176.128.9-34.8000111.8T46P44-T46 PolarHBondContact O-N 2.82Å
45C92.1Very high84.2Confident31 Ų3179.6 Ų79.621%0.20947%0.471CS..EExtended strand (participates in β ladder)trans-81.2117.5174.1-175.20000110.3C70 V72C45-C70 VanDerWaalsContact CA-SG 3.52Å; C45-C70 HydrophobicContact CB-CB 3.93Å; C45-C70 WeakPolarHBondContact CB-SG 3Å; C45-C70 WeakPolarHBondContact SG-CB 3.33Å; C45-C70 CovalentContact SG-SG 2.01Å; C45-C70 PolarHBondContact SG-SG 2.8Å; C45-V72 HydrophobicContact CB-CG2 4.01Å; C45-V72 WeakPolarHBondContact O-CG2 3.45Å; C45-V72 WeakPolarHBondContact SG-CG2 3.44Å
46T91.6Very high85.9Confident91 Ų9178.7 Ų78.756%0.55846%0.456SS*.EExtended strand (participates in β ladder)trans-98.6125.8178.6-56.20000110.1P44 G55 F56P44-T46 PolarHBondContact O-N 2.82Å; T46-G55 CarbonylContact O-C 3.51Å; T46-G55 WeakPolarHBondContact O-CA 3.34Å; T46-F56 PolarHBondContact N-O 2.96Å; T46-F56 PolarHBondContact O-N 2.72Å
47P90.6Very high87.4Confident39 Ų3975.9 Ų75.925%0.25344%0.439SS..EExtended strand (participates in β ladder)trans-69140.9-179.829.7-31.5000110.8S49 K50 V72P47-S49 VanDerWaalsContact C-N 3.3Å; P47-K50 WeakPolarHBondContact CB-O 3.46Å; P47-K50 WeakPolarHBondContact CG-O 3.44Å; P47-V72 HydrophobicContact CB-CB 4.35Å; P47-V72 HydrophobicContact CB-CG2 3.98Å; P47-V72 HydrophobicContact CG-CG2 4.35Å
48S87.6Confident88.6Confident84 Ų8479.7 Ų79.759%0.58746%0.455SS*.SBendtrans-76.1-20.9179-172.90000112.9V54S48-V54 WeakPolarHBondContact CB-O 3.44Å; S48-V54 PolarHBondContact N-O 2.83Å
49S80.9Confident89.5Confident79 Ų7974.5 Ų74.555%0.55241%0.413SS*.SBendtrans-156.7134.4-178.862.40000108.7P47P47-S49 VanDerWaalsContact C-N 3.3Å
50K80.6Confident89.8Confident190 Ų19069.2 Ų69.283%0.82639%0.392SS*.SBendtrans59.8-170.7-176.4-49.2-176.3178.9-174.60112.7P47 C52P47-K50 WeakPolarHBondContact CB-O 3.46Å; P47-K50 WeakPolarHBondContact CG-O 3.44Å; K50-C52 VanDerWaalsContact C-N 3.32Å; K50-C52 PolarHBondContact O-N 2.84Å
51D84.1Confident89.8Confident121 Ų12168.6 Ų68.665%0.64739%0.393SS*.SBendtrans-78.5-6.3-178.6-63.8-80.8000115.7
52C85.2Confident89.5Confident37 Ų3769.3 Ų69.325%0.2541%0.407CS..SBendtrans-156.8166.1-175.474.40000112.6K50 V72 C74K50-C52 VanDerWaalsContact C-N 3.32Å; K50-C52 PolarHBondContact O-N 2.84Å; C52-V72 HydrophobicContact CB-CG1 4.39Å; C52-C74 HydrophobicContact CB-CB 3.75Å; C52-C74 WeakPolarHBondContact CB-SG 3.04Å; C52-C74 WeakPolarHBondContact SG-CA 3.15Å; C52-C74 WeakPolarHBondContact SG-CB 3.33Å; C52-C74 CovalentContact SG-SG 2.04Å; C52-C74 PolarHBondContact SG-SG 2.9Å
53G87.1Confident89.2Confident12 Ų1269.7 Ų69.712%0.12443%0.432CS..EExtended strand (participates in β ladder)trans111.7-147.9178.600000112.5R71 V72G53-R71 CarbonylContact O-C 3.6Å; G53-R71 VanDerWaalsContact O-CA 3.24Å; G53-R71 WeakPolarHBondContact O-CA 3.01Å; G53-R71 WeakPolarHBondContact O-CG 3.39Å; G53-V72 PolarHBondContact N-O 3.21Å; G53-V72 PolarHBondContact O-N 3.29Å
54V90.8Very high89.1Confident91 Ų9171 Ų7155%0.55243%0.429SS*.EExtended strand (participates in β ladder)trans-69.4135.5-178.5-179.60000109.3S48S48-V54 WeakPolarHBondContact CB-O 3.44Å; S48-V54 PolarHBondContact N-O 2.83Å
55G93Very high89.1Confident0 Ų069.7 Ų69.70%042%0.419CS..EExtended strand (participates in β ladder)trans-152.1-173.2-177.100000112.2T46 C70T46-G55 CarbonylContact O-C 3.51Å; T46-G55 WeakPolarHBondContact O-CA 3.34Å; G55-C70 CarbonylContact C-O 3.42Å; G55-C70 PolarHBondContact N-O 3.25Å; G55-C70 PolarHBondContact O-N 2.94Å
56F93.8Very high89Confident67 Ų6772.5 Ų72.529%0.29443%0.429SS..EExtended strand (participates in β ladder)trans-130.4139.5177.2-60.1-86.9000109.3T46 I68 R69T46-F56 PolarHBondContact N-O 2.96Å; T46-F56 PolarHBondContact O-N 2.72Å; F56-I68 WeakPolarHBondContact CA-O 3.13Å; F56-R69 HydrophobicContact CD1-CG 4.18Å; F56-R69 HydrophobicContact CE1-CG 3.7Å
57R93.5Very high89Confident97 Ų9776.2 Ų76.237%0.36643%0.433SS..EExtended strand (participates in β ladder)trans-108.5134.9163.268.2179.471.2174.3-4.5107.5W42 R67 I68 C70W42-R57 HydrophobicContact CE3-CG 4.01Å; R57-R67 WeakPolarHBondContact O-CA 3.21Å; R57-I68 HydrophobicContact CG-CD1 3.93Å; R57-I68 HydrophobicContact CG-CG1 3.37Å; R57-I68 PolarHBondContact N-O 3.47Å; R57-I68 PolarHBondContact O-N 2.68Å; R57-C70 HydrophobicContact CG-CB 4.45Å; R57-C70 PolarHBondContact N-SG 2.82Å
58E92.8Very high89.1Confident98 Ų9877.3 Ų77.346%0.45844%0.436SS..EExtended strand (participates in β ladder)trans-91.8140.9175-165.3160.8112.500108.5G43 T65 Q66 R67G43-E58 PolarHBondContact N-O 2.83Å; E58-T65 HydrophobicContact CG-CG2 3.48Å; E58-T65 VanDerWaalsContact CG-CG2 3.48Å; E58-Q66 CarbonylContact C-O 3.57Å; E58-Q66 WeakPolarHBondContact CA-O 3.47Å; E58-R67 HydrophobicContact CB-CG 4.33Å; E58-R67 HydrophobicContact CG-CG 4.04Å; E58-R67 IonicContact OE2-NE 3.94Å
59G93.1Very high89.3Confident1 Ų183.4 Ų83.41%0.0145%0.446CS..EExtended strand (participates in β ladder)trans-135.4146.2171.800000109.9W40 A41 T65 Q66W40-G59 WeakPolarHBondContact CZ3-O 3.28Å; A41-G59 WeakPolarHBondContact O-CA 3.24Å; G59-T65 CarbonylContact O-C 3.57Å; G59-T65 WeakPolarHBondContact O-CA 2.99Å; G59-Q66 PolarHBondContact N-O 3.44Å; G59-Q66 PolarHBondContact O-N 2.9Å
60T91.7Very high89.8Confident64 Ų6480.4 Ų80.439%0.39343%0.425SS..EExtended strand (participates in β ladder)trans-119.5145.1178.5530000110A41 Q64 T65A41-T60 PolarHBondContact N-O 3.09Å; A41-T60 PolarHBondContact O-N 3.05Å; A41-T60 VanDerWaalsContact O-N 3.09Å; T60-Q64 CarbonylContact C-O 3.54Å; T60-Q64 VanDerWaalsContact CA-O 3.28Å; T60-Q64 WeakPolarHBondContact CA-O 3.36Å; T60-T65 HydrophobicContact CG2-CG2 4.05Å
61C90.9Very high90Very high24 Ų2480.6 Ų80.616%0.16242%0.42CS..EExtended strand (participates in β ladder)trans-144.2113.8166.1179.60000109.4C37 W40 A63 Q64C37-C61 HydrophobicContact CB-CB 3.47Å; C37-C61 VanDerWaalsContact CB-CB 3.47Å; C37-C61 WeakPolarHBondContact CB-SG 2.95Å; C37-C61 WeakPolarHBondContact SG-CB 2.83Å; C37-C61 CovalentContact SG-SG 2Å; C37-C61 PolarHBondContact SG-SG 3.42Å; W40-C61 HydrophobicContact CD2-CB 3.84Å; W40-C61 HydrophobicContact CE3-CB 3.82Å; W40-C61 HydrophobicContact CG-CB 4.38Å; W40-C61 HydrophobicContact CH2-CB 4.16Å; W40-C61 HydrophobicContact CZ2-CB 4.21Å; W40-C61 HydrophobicContact CZ3-CB 3.98Å; C61-A63 PolarHBondContact O-N 3.27Å; C61-Q64 PolarHBondContact N-O 2.74Å; C61-Q64 WeakPolarHBondContact O-CB 2.98Å; C61-Q64 PolarHBondContact O-N 2.7Å
62G85.1Confident90.2Very high82 Ų8276 Ų7685%0.84540%0.397SS*.THydrogen-bonded Turntrans56.3-122-172.800000111.1
63A85.8Confident89.9Confident109 Ų10979.5 Ų79.590%0.90142%0.419SS*.THydrogen-bonded Turntrans-87-2.3176.200000114C61C61-A63 PolarHBondContact O-N 3.27Å
64Q88.4Confident89.3Confident63 Ų6382.1 Ų82.129%0.29443%0.434SS..EExtended strand (participates in β ladder)trans-94.7133.3-178.5-57.9-164300111.6E36 W40 T60 C61E36-Q64 PolarHBondContact OE1-NE2 2.75Å; E36-Q64 PolarHBondContact OE2-NE2 3.14Å; W40-Q64 HydrophobicContact CH2-CB 3.84Å; W40-Q64 HydrophobicContact CZ3-CB 4.44Å; T60-Q64 CarbonylContact C-O 3.54Å; T60-Q64 VanDerWaalsContact CA-O 3.28Å; T60-Q64 WeakPolarHBondContact CA-O 3.36Å; C61-Q64 PolarHBondContact N-O 2.74Å; C61-Q64 WeakPolarHBondContact O-CB 2.98Å; C61-Q64 PolarHBondContact O-N 2.7Å
65T91.6Very high88.5Confident83 Ų8381.8 Ų81.851%0.50943%0.429SS..EExtended strand (participates in β ladder)trans-117.9129.8170.3-55.60000109.1E58 G59 T60E58-T65 HydrophobicContact CG-CG2 3.48Å; E58-T65 VanDerWaalsContact CG-CG2 3.48Å; G59-T65 CarbonylContact O-C 3.57Å; G59-T65 WeakPolarHBondContact O-CA 2.99Å; T60-T65 HydrophobicContact CG2-CG2 4.05Å
66Q90.9Very high87.2Confident91 Ų9186.5 Ų86.543%0.42545%0.448SS..EExtended strand (participates in β ladder)trans-126.5145174.6-72.5-167.52500111.5W40 W42 E58 G59W40-Q66 HydrophobicContact CH2-CB 4.01Å; W40-Q66 HydrophobicContact CH2-CG 3.55Å; W40-Q66 HydrophobicContact CZ2-CG 4.29Å; W40-Q66 HydrophobicContact CZ3-CB 3.88Å; W40-Q66 HydrophobicContact CZ3-CG 3.94Å; W42-Q66 HydrophobicContact CH2-CB 4.41Å; E58-Q66 CarbonylContact C-O 3.57Å; E58-Q66 WeakPolarHBondContact CA-O 3.47Å; G59-Q66 PolarHBondContact N-O 3.44Å; G59-Q66 PolarHBondContact O-N 2.9Å
67R91.9Very high85.9Confident168 Ų16887.1 Ų87.163%0.63445%0.45SS*.EExtended strand (participates in β ladder)trans-113.9117.9175-65.917971.3-1775.6109.1R57 E58R57-R67 WeakPolarHBondContact O-CA 3.21Å; E58-R67 HydrophobicContact CB-CG 4.33Å; E58-R67 HydrophobicContact CG-CG 4.04Å; E58-R67 IonicContact OE2-NE 3.94Å
68I91.9Very high84.5Confident63 Ų6388.4 Ų88.432%0.32346%0.458SS..EExtended strand (participates in β ladder)trans-108.4146.8177.169174.4000110.7W42 F56 R57 C70W42-I68 HydrophobicContact CD2-CD1 4.36Å; W42-I68 HydrophobicContact CE3-CD1 4.07Å; W42-I68 HydrophobicContact CE3-CG1 4.15Å; W42-I68 HydrophobicContact CH2-CB 4.5Å; W42-I68 HydrophobicContact CH2-CD1 3.96Å; W42-I68 HydrophobicContact CH2-CG1 4.17Å; W42-I68 HydrophobicContact CH2-CG2 3.6Å; W42-I68 HydrophobicContact CZ2-CD1 4.2Å; W42-I68 HydrophobicContact CZ3-CB 4.35Å; W42-I68 HydrophobicContact CZ3-CD1 3.87Å; W42-I68 HydrophobicContact CZ3-CG1 3.75Å; W42-I68 HydrophobicContact CZ3-CG2 3.84Å; F56-I68 WeakPolarHBondContact CA-O 3.13Å; R57-I68 HydrophobicContact CG-CD1 3.93Å; R57-I68 HydrophobicContact CG-CG1 3.37Å; R57-I68 PolarHBondContact N-O 3.47Å; R57-I68 PolarHBondContact O-N 2.68Å; I68-C70 PolarHBondContact O-N 2.99Å
69R92.5Very high83.2Confident212 Ų21292.4 Ų92.480%0.848%0.477SS*.EExtended strand (participates in β ladder)trans-67.4132.8176.1-69-179.1-176178.50.4109.7F56F56-R69 HydrophobicContact CD1-CG 4.18Å; F56-R69 HydrophobicContact CE1-CG 3.7Å
70C90.1Very high82Confident16 Ų1693.2 Ų93.211%0.10848%0.48CS..EExtended strand (participates in β ladder)trans-137.8171.2172.859.40000109.4C45 G55 R57 I68C45-C70 VanDerWaalsContact CA-SG 3.52Å; C45-C70 HydrophobicContact CB-CB 3.93Å; C45-C70 WeakPolarHBondContact CB-SG 3Å; C45-C70 WeakPolarHBondContact SG-CB 3.33Å; C45-C70 CovalentContact SG-SG 2.01Å; C45-C70 PolarHBondContact SG-SG 2.8Å; G55-C70 CarbonylContact C-O 3.42Å; G55-C70 PolarHBondContact N-O 3.25Å; G55-C70 PolarHBondContact O-N 2.94Å; R57-C70 HydrophobicContact CG-CB 4.45Å; R57-C70 PolarHBondContact N-SG 2.82Å; I68-C70 PolarHBondContact O-N 2.99Å
71R86.4Confident80.8Confident193 Ų19391.4 Ų91.473%0.72847%0.474SS*.EExtended strand (participates in β ladder)trans-125.9115177-163.3178.3-173.4-172.11.6109.1G53 P73G53-R71 CarbonylContact O-C 3.6Å; G53-R71 VanDerWaalsContact O-CA 3.24Å; G53-R71 WeakPolarHBondContact O-CA 3.01Å; G53-R71 WeakPolarHBondContact O-CG 3.39Å; R71-P73 WeakPolarHBondContact O-CD 2.99Å
72V87.5Confident79.9Confident25 Ų2594 Ų9415%0.15250%0.497CS..EExtended strand (participates in β ladder)trans-70.7118.6170.5-177.30000107.3C45 P47 C52 G53 C74C45-V72 HydrophobicContact CB-CG2 4.01Å; C45-V72 WeakPolarHBondContact O-CG2 3.45Å; C45-V72 WeakPolarHBondContact SG-CG2 3.44Å; P47-V72 HydrophobicContact CB-CB 4.35Å; P47-V72 HydrophobicContact CB-CG2 3.98Å; P47-V72 HydrophobicContact CG-CG2 4.35Å; C52-V72 HydrophobicContact CB-CG1 4.39Å; G53-V72 PolarHBondContact N-O 3.21Å; G53-V72 PolarHBondContact O-N 3.29Å; V72-C74 PolarHBondContact O-N 2.76Å
73P78.2Confident79.8Confident110 Ų11093.4 Ų93.471%0.71448%0.475SS*.  trans-58.3125.5-180-2434.4000110.6R71 N75R71-P73 WeakPolarHBondContact O-CD 2.99Å; P73-N75 PolarHBondContact O-N 3.07Å
74C76.2Confident79.8Confident67 Ų6788.6 Ų88.645%0.45343%0.434SS..  trans-69.2106.7168.2-69.10000108.4C52 V72 W76C52-C74 HydrophobicContact CB-CB 3.75Å; C52-C74 WeakPolarHBondContact CB-SG 3.04Å; C52-C74 WeakPolarHBondContact SG-CA 3.15Å; C52-C74 WeakPolarHBondContact SG-CB 3.33Å; C52-C74 CovalentContact SG-SG 2.04Å; C52-C74 PolarHBondContact SG-SG 2.9Å; V72-C74 PolarHBondContact O-N 2.76Å; C74-W76 PolarHBondContact O-N 2.86Å
75N73.4Confident79.7Confident84 Ų8490.8 Ų90.845%0.44944%0.443SS..  trans-72.884.1173.7-169.9-3.8000107.6P73 K77 K78P73-N75 PolarHBondContact O-N 3.07Å; N75-K77 PolarHBondContact O-N 2.91Å; N75-K77 WeakPolarHBondContact OD1-CA 3.4Å; N75-K77 WeakPolarHBondContact OD1-CB 3.25Å; N75-K77 PolarHBondContact OD1-N 2.9Å; N75-K78 HydrophobicContact CB-CB 4.29Å; N75-K78 HydrophobicContact CB-CD 4.22Å; N75-K78 HydrophobicContact CB-CG 3.8Å; N75-K78 WeakPolarHBondContact O-CB 3.28Å; N75-K78 PolarHBondContact O-N 2.85Å; N75-K78 PolarHBondContact OD1-N 2.01Å; N75-K78 VanDerWaalsContact OD1-N 3.1Å
76W66Low79.6Confident100 Ų10087.8 Ų87.838%0.37942%0.423SS..THydrogen-bonded Turntrans-56.5-12.6167.161.1-87.1000112C74 F80 F88 V122C74-W76 PolarHBondContact O-N 2.86Å; W76-F80 AromaticContact CE3-CE1 3.89Å; W76-F80 HydrophobicContact CE3-CE1 3.89Å; W76-F80 AromaticContact CE3-CZ 3.84Å; W76-F80 HydrophobicContact CE3-CZ 3.84Å; W76-F80 HydrophobicContact CH2-CZ 4.1Å; W76-F80 AromaticContact CZ3-CE1 3.85Å; W76-F80 HydrophobicContact CZ3-CE1 3.85Å; W76-F80 AromaticContact CZ3-CZ 3.41Å; W76-F80 HydrophobicContact CZ3-CZ 3.41Å; W76-F80 VanDerWaalsContact CZ3-CZ 3.41Å; W76-F80 WeakPolarHBondContact O-CE1 3.22Å; W76-F88 HydrophobicContact CH2-CE2 4.31Å; W76-F88 HydrophobicContact CH2-CZ 4.15Å; W76-F88 HydrophobicContact CZ3-CE1 4.26Å; W76-F88 AromaticContact CZ3-CZ 3.91Å; W76-F88 HydrophobicContact CZ3-CZ 3.91Å; W76-V122 HydrophobicContact CE3-CB 3.71Å; W76-V122 HydrophobicContact CE3-CG1 3.82Å; W76-V122 HydrophobicContact CE3-CG2 4.12Å; W76-V122 HydrophobicContact CZ3-CB 3.82Å; W76-V122 HydrophobicContact CZ3-CG1 3.76Å; W76-V122 HydrophobicContact CZ3-CG2 3.77Å
77K65.7Low79.6Confident80 Ų8090.7 Ų90.735%0.34843%0.434SS..THydrogen-bonded Turntrans-92.9-2.6174.8164.8164.7-163.4-163.70114N75 E79 F80 G81N75-K77 PolarHBondContact O-N 2.91Å; N75-K77 WeakPolarHBondContact OD1-CA 3.4Å; N75-K77 WeakPolarHBondContact OD1-CB 3.25Å; N75-K77 PolarHBondContact OD1-N 2.9Å; K77-E79 PolarHBondContact O-N 3.21Å; K77-F80 VanDerWaalsContact CA-CE1 3.43Å; K77-F80 VanDerWaalsContact CA-CZ 3.41Å; K77-F80 HydrophobicContact CB-CE1 3.92Å; K77-F80 HydrophobicContact CB-CE2 3.68Å; K77-F80 HydrophobicContact CB-CZ 3.3Å; K77-F80 HydrophobicContact CD-CD2 4.43Å; K77-F80 HydrophobicContact CD-CE2 3.54Å; K77-F80 HydrophobicContact CD-CZ 3.96Å; K77-F80 HydrophobicContact CG-CD2 3.9Å; K77-F80 HydrophobicContact CG-CE1 4.35Å; K77-F80 HydrophobicContact CG-CE2 3.25Å; K77-F80 HydrophobicContact CG-CZ 3.49Å; K77-F80 VanDerWaalsContact CG-CZ 3.49Å; K77-F80 PolarHBondContact O-N 3.49Å; K77-G81 PolarHBondContact O-N 2.85Å
78K64.8Low79.5Confident123 Ų12385.3 Ų85.354%0.53542%0.415SS..G310 helixtrans-58.6-36.6172.9-99.1178.2179.3-168.90111.5N75 F80 G81N75-K78 HydrophobicContact CB-CB 4.29Å; N75-K78 HydrophobicContact CB-CD 4.22Å; N75-K78 HydrophobicContact CB-CG 3.8Å; N75-K78 WeakPolarHBondContact O-CB 3.28Å; N75-K78 PolarHBondContact O-N 2.85Å; N75-K78 PolarHBondContact OD1-N 2.01Å; N75-K78 VanDerWaalsContact OD1-N 3.1Å; K78-F80 VanDerWaalsContact C-N 3.29Å; K78-F80 PolarHBondContact O-N 2.02Å; K78-G81 PolarHBondContact O-N 3.43Å
79E65.4Low79.6Confident182 Ų18288 Ų8885%0.8543%0.426SS*.G310 helixtrans-63.8-30.4-175-67.5-167.9177.200114.1K77K77-E79 PolarHBondContact O-N 3.21Å
80F67.9Low79.6Confident19 Ų1985 Ų858%0.08343%0.426CS..G310 helixtrans-109.17.7-178.950.5-91.9000113.6W76 K77 K78 C84 Y86 F88 I120 V122W76-F80 AromaticContact CE3-CE1 3.89Å; W76-F80 HydrophobicContact CE3-CE1 3.89Å; W76-F80 AromaticContact CE3-CZ 3.84Å; W76-F80 HydrophobicContact CE3-CZ 3.84Å; W76-F80 HydrophobicContact CH2-CZ 4.1Å; W76-F80 AromaticContact CZ3-CE1 3.85Å; W76-F80 HydrophobicContact CZ3-CE1 3.85Å; W76-F80 AromaticContact CZ3-CZ 3.41Å; W76-F80 HydrophobicContact CZ3-CZ 3.41Å; W76-F80 VanDerWaalsContact CZ3-CZ 3.41Å; W76-F80 WeakPolarHBondContact O-CE1 3.22Å; K77-F80 VanDerWaalsContact CA-CE1 3.43Å; K77-F80 VanDerWaalsContact CA-CZ 3.41Å; K77-F80 HydrophobicContact CB-CE1 3.92Å; K77-F80 HydrophobicContact CB-CE2 3.68Å; K77-F80 HydrophobicContact CB-CZ 3.3Å; K77-F80 HydrophobicContact CD-CD2 4.43Å; K77-F80 HydrophobicContact CD-CE2 3.54Å; K77-F80 HydrophobicContact CD-CZ 3.96Å; K77-F80 HydrophobicContact CG-CD2 3.9Å; K77-F80 HydrophobicContact CG-CE1 4.35Å; K77-F80 HydrophobicContact CG-CE2 3.25Å; K77-F80 HydrophobicContact CG-CZ 3.49Å; K77-F80 VanDerWaalsContact CG-CZ 3.49Å; K77-F80 PolarHBondContact O-N 3.49Å; K78-F80 VanDerWaalsContact C-N 3.29Å; K78-F80 PolarHBondContact O-N 2.02Å; F80-C84 VanDerWaalsContact O-CB 3.25Å; F80-C84 WeakPolarHBondContact O-CB 3.41Å; F80-C84 PolarHBondContact O-SG 3.28Å; F80-Y86 HydrophobicContact CB-CE2 3.76Å; F80-Y86 AromaticContact CD2-CD2 3.76Å; F80-Y86 HydrophobicContact CD2-CD2 3.76Å; F80-Y86 AromaticContact CD2-CE2 3.81Å; F80-Y86 HydrophobicContact CD2-CE2 3.81Å; F80-Y86 HydrophobicContact CE2-CD2 4.23Å; F80-Y86 HydrophobicContact CG-CD2 4.34Å; F80-Y86 HydrophobicContact CG-CE2 4.07Å; F80-F88 HydrophobicContact CE2-CZ 4.06Å; F80-F88 AromaticContact CZ-CZ 3.81Å; F80-F88 HydrophobicContact CZ-CZ 3.81Å; F80-I120 HydrophobicContact CB-CD1 4.14Å; F80-I120 HydrophobicContact CB-CG2 4.34Å; F80-I120 HydrophobicContact CD1-CD1 3.53Å; F80-I120 HydrophobicContact CD2-CD1 3.86Å; F80-I120 HydrophobicContact CE1-CD1 3.74Å; F80-I120 HydrophobicContact CE2-CD1 3.99Å; F80-I120 HydrophobicContact CG-CD1 3.59Å; F80-I120 HydrophobicContact CZ-CD1 3.96Å; F80-V122 HydrophobicContact CD1-CG1 4.22Å; F80-V122 HydrophobicContact CE1-CG1 3.49Å; F80-V122 VanDerWaalsContact CE1-CG1 3.49Å; F80-V122 HydrophobicContact CZ-CG1 4.2Å
81G66.8Low79.5Confident26 Ų2687.8 Ų87.827%0.26843%0.434SS..THydrogen-bonded Turntrans67.5164.9177.600000114.3K77 K78K77-G81 PolarHBondContact O-N 2.85Å; K78-G81 PolarHBondContact O-N 3.43Å
82A72Confident79.6Confident78 Ų7880.4 Ų80.465%0.64542%0.418SS*.THydrogen-bonded Turntrans-75.6-19.1173.600000112.1
83D82.2Confident79.7Confident69 Ų6983.6 Ų83.637%0.36945%0.447SS..THydrogen-bonded Turntrans-81.5-24.1-170.7-52.4-65000113R111 A114D83-R111 HydrophobicContact CB-CB 4.37Å; D83-R111 WeakPolarHBondContact O-CB 3.43Å; D83-R111 WeakPolarHBondContact O-CG 3.3Å; D83-R111 PolarHBondContact O-N 3.04Å; D83-A114 HydrophobicContact CB-CB 3.86Å
84C85.5Confident80.2Confident8 Ų881.8 Ų81.85%0.05444%0.437CS..EExtended strand (participates in β ladder)trans-95.2114178.1-54.90000110.7F80 Y86 L107 C116F80-C84 VanDerWaalsContact O-CB 3.25Å; F80-C84 WeakPolarHBondContact O-CB 3.41Å; F80-C84 PolarHBondContact O-SG 3.28Å; C84-Y86 HydrophobicContact CB-CD2 4.18Å; C84-Y86 HydrophobicContact CB-CE2 3.31Å; C84-Y86 WeakPolarHBondContact O-CD2 3.49Å; C84-L107 HydrophobicContact CB-CD1 4.18Å; C84-C116 VanDerWaalsContact CA-SG 3.53Å; C84-C116 HydrophobicContact CB-CB 3.72Å; C84-C116 WeakPolarHBondContact CB-SG 2.99Å; C84-C116 VanDerWaalsContact SG-CA 3.51Å; C84-C116 WeakPolarHBondContact SG-CB 3.36Å; C84-C116 CovalentContact SG-SG 2.02Å; C84-C116 PolarHBondContact SG-SG 3.45Å
85K87Confident80.6Confident110 Ų11082.5 Ų82.548%0.47844%0.436SS..EExtended strand (participates in β ladder)trans-94.2118.7177.3-174.7172.8-177.1173.20109.9K108 K109K85-K108 WeakPolarHBondContact O-CA 2.98Å; K85-K108 WeakPolarHBondContact O-CB 3.4Å; K85-K108 PolarHBondContact O-N 2.92Å; K85-K109 HydrophobicContact CB-CB 4.4Å; K85-K109 PolarHBondContact N-O 3.06Å; K85-K109 PolarHBondContact O-N 2.8Å; K85-K109 VanDerWaalsContact O-N 3.13Å
86Y88.9Confident81.1Confident20 Ų2081.7 Ų81.78%0.07845%0.448CS..EExtended strand (participates in β ladder)trans-108.3145.9178.6-66.1-90.2000112.4F80 C84 T106 L107 Q117 I120F80-Y86 HydrophobicContact CB-CE2 3.76Å; F80-Y86 AromaticContact CD2-CD2 3.76Å; F80-Y86 HydrophobicContact CD2-CD2 3.76Å; F80-Y86 AromaticContact CD2-CE2 3.81Å; F80-Y86 HydrophobicContact CD2-CE2 3.81Å; F80-Y86 HydrophobicContact CE2-CD2 4.23Å; F80-Y86 HydrophobicContact CG-CD2 4.34Å; F80-Y86 HydrophobicContact CG-CE2 4.07Å; C84-Y86 HydrophobicContact CB-CD2 4.18Å; C84-Y86 HydrophobicContact CB-CE2 3.31Å; C84-Y86 WeakPolarHBondContact O-CD2 3.49Å; Y86-T106 CarbonylContact C-O 3.44Å; Y86-T106 VanDerWaalsContact CA-O 3.3Å; Y86-T106 WeakPolarHBondContact CA-O 3.25Å; Y86-L107 HydrophobicContact CD1-CB 4.12Å; Y86-L107 HydrophobicContact CD1-CD1 4.35Å; Y86-L107 HydrophobicContact CE1-CB 3.74Å; Y86-L107 HydrophobicContact CE1-CD1 3.86Å; Y86-L107 HydrophobicContact CE1-CG 4.41Å; Y86-L107 HydrophobicContact CE2-CD1 4.23Å; Y86-Q117 WeakPolarHBondContact CE1-O 3.39Å; Y86-Q117 PolarHBondContact OH-N 3Å; Y86-Q117 PolarHBondContact OH-O 2.87Å; Y86-I120 HydrophobicContact CD1-CB 4.47Å; Y86-I120 HydrophobicContact CD1-CD1 3.74Å; Y86-I120 HydrophobicContact CD1-CG1 3.57Å; Y86-I120 HydrophobicContact CD1-CG2 4.24Å; Y86-I120 HydrophobicContact CD2-CD1 3.43Å; Y86-I120 VanDerWaalsContact CD2-CD1 3.43Å; Y86-I120 HydrophobicContact CD2-CG1 4.22Å; Y86-I120 HydrophobicContact CE1-CB 4.23Å; Y86-I120 HydrophobicContact CE1-CD1 4.04Å; Y86-I120 HydrophobicContact CE1-CG1 3.79Å; Y86-I120 HydrophobicContact CE1-CG2 3.54Å; Y86-I120 HydrophobicContact CE2-CD1 3.73Å; Y86-I120 HydrophobicContact CE2-CG1 4.39Å; Y86-I120 HydrophobicContact CE2-CG2 4.17Å; Y86-I120 HydrophobicContact CG-CD1 3.44Å; Y86-I120 VanDerWaalsContact CG-CD1 3.44Å; Y86-I120 HydrophobicContact CG-CG1 3.81Å
87K91Very high82Confident152 Ų15280.7 Ų80.766%0.66147%0.468SS*.EExtended strand (participates in β ladder)trans-93.5113.8164.1-176.2-175.2178.3-170.90107.3G105 T106K87-G105 CarbonylContact O-C 3.56Å; K87-G105 WeakPolarHBondContact O-CA 3.11Å; K87-T106 PolarHBondContact N-O 2.75Å; K87-T106 PolarHBondContact O-N 2.98Å
88F91Very high82.7Confident54 Ų5481.2 Ų81.224%0.23748%0.478CS..EExtended strand (participates in β ladder)trans-93.1144.7179.5-66.5-82.7000111.3W76 F80 R103 Q104 I120 V122W76-F88 HydrophobicContact CH2-CE2 4.31Å; W76-F88 HydrophobicContact CH2-CZ 4.15Å; W76-F88 HydrophobicContact CZ3-CE1 4.26Å; W76-F88 AromaticContact CZ3-CZ 3.91Å; W76-F88 HydrophobicContact CZ3-CZ 3.91Å; F80-F88 HydrophobicContact CE2-CZ 4.06Å; F80-F88 AromaticContact CZ-CZ 3.81Å; F80-F88 HydrophobicContact CZ-CZ 3.81Å; F88-R103 HydrophobicContact CD1-CG 4.13Å; F88-Q104 WeakPolarHBondContact CA-O 3.35Å; F88-I120 HydrophobicContact CE1-CD1 3.61Å; F88-I120 HydrophobicContact CE1-CG1 4.03Å; F88-I120 HydrophobicContact CZ-CD1 3.58Å; F88-I120 HydrophobicContact CZ-CG1 4.44Å; F88-V122 HydrophobicContact CD1-CG2 3.93Å; F88-V122 HydrophobicContact CE1-CB 4.4Å; F88-V122 HydrophobicContact CE1-CG1 3.85Å; F88-V122 HydrophobicContact CE1-CG2 3.6Å; F88-V122 HydrophobicContact CZ-CG1 4.39Å
89E92.2Very high83.5Confident119 Ų11976.3 Ų76.356%0.55646%0.463SS*.  trans-75.6177.8167-61.2-174.1153.700111.4Q104E89-Q104 PolarHBondContact N-O 3.44Å
90N92.8Very high84.4Confident151 Ų15169.1 Ų69.181%0.80743%0.431SS*.PPolyproline II helixtrans-61.7150173.7-71.714.1000110.1G92N90-G92 PolarHBondContact O-N 3.32Å
91W88.2Confident85.5Confident73 Ų7370.7 Ų70.728%0.27744%0.438SS..PPolyproline II helixtrans-64.5130.6173.3-74.299.6000109.9K101 R103 V122 K124W91-K101 HydrophobicContact CB-CD 3.96Å; W91-K101 HydrophobicContact CD2-CD 3.94Å; W91-K101 VanDerWaalsContact CD2-CE 3.44Å; W91-K101 HydrophobicContact CD2-CG 4.16Å; W91-K101 HydrophobicContact CE3-CB 4.22Å; W91-K101 HydrophobicContact CE3-CD 3.9Å; W91-K101 HydrophobicContact CE3-CG 3.6Å; W91-K101 HydrophobicContact CG-CD 3.99Å; W91-K101 HydrophobicContact CZ3-CG 4.08Å; W91-K101 WeakPolarHBondContact CZ3-O 3.37Å; W91-R103 HydrophobicContact CD2-CB 4.42Å; W91-R103 HydrophobicContact CD2-CG 4.13Å; W91-R103 HydrophobicContact CE3-CB 4.02Å; W91-R103 HydrophobicContact CE3-CG 3.78Å; W91-R103 HydrophobicContact CH2-CG 4.06Å; W91-R103 HydrophobicContact CZ2-CG 4.38Å; W91-R103 VanDerWaalsContact CZ2-CZ 3.48Å; W91-R103 VanDerWaalsContact CZ2-NE 3.27Å; W91-R103 HydrophobicContact CZ3-CB 4.38Å; W91-R103 HydrophobicContact CZ3-CG 3.75Å; W91-V122 HydrophobicContact CH2-CG2 4.15Å; W91-V122 HydrophobicContact CZ3-CG2 4.46Å; W91-K124 HydrophobicContact CH2-CB 3.51Å; W91-K124 HydrophobicContact CH2-CD 4.31Å; W91-K124 HydrophobicContact CZ2-CB 4.21Å; W91-K124 HydrophobicContact CZ2-CD 4.15Å; W91-K124 HydrophobicContact CZ3-CB 3.76Å
92G89.2Confident86.5Confident38 Ų3871.6 Ų71.639%0.39244%0.438SS..PPolyproline II helixtrans-64.7172.8169.600000112.4N90 V102N90-G92 PolarHBondContact O-N 3.32Å; G92-V102 PolarHBondContact N-O 3.1Å
93A88.5Confident87.4Confident92 Ų9270.1 Ų70.176%0.7642%0.416SS*.PPolyproline II helixtrans-57.3156.6173.400000111.5D95A93-D95 PolarHBondContact O-N 3.37Å
94C88.9Confident87.8Confident73 Ų7372.3 Ų72.349%0.49342%0.424SS..EExtended strand (participates in β ladder)trans-71.3118.5172.7-174.60000109.3G96 C126C94-G96 PolarHBondContact O-N 3.34Å; C94-C126 VanDerWaalsContact CA-SG 3.57Å; C94-C126 HydrophobicContact CB-CB 4.14Å; C94-C126 WeakPolarHBondContact CB-SG 3.21Å; C94-C126 WeakPolarHBondContact SG-CB 3.41Å; C94-C126 CovalentContact SG-SG 2.02Å; C94-C126 PolarHBondContact SG-SG 2.89Å
95D85.9Confident88Confident82 Ų8272 Ų7244%0.43942%0.422SS..EExtended strand (participates in β ladder)trans-71.2123.2174.2176.5-98.6000109.9A93 G97 T98 G99 T100A93-D95 PolarHBondContact O-N 3.37Å; D95-G97 VanDerWaalsContact C-N 3.33Å; D95-G97 PolarHBondContact O-N 2.84Å; D95-G97 PolarHBondContact OD1-N 2.84Å; D95-T98 WeakPolarHBondContact CB-OG1 3.45Å; D95-T98 WeakPolarHBondContact OD1-CB 3.12Å; D95-T98 WeakPolarHBondContact OD1-CG2 3.5Å; D95-T98 PolarHBondContact OD1-N 2.81Å; D95-T98 PolarHBondContact OD1-OG1 2.04Å; D95-G99 VanDerWaalsContact O-CA 3.25Å; D95-G99 WeakPolarHBondContact O-CA 3.42Å; D95-G99 PolarHBondContact O-N 3.43Å; D95-T100 WeakPolarHBondContact CB-O 3.07Å; D95-T100 PolarHBondContact N-O 2.88Å
96G83.6Confident88.2Confident67 Ų6770.2 Ų70.269%0.69142%0.42SS*.THydrogen-bonded Turntrans-69.3-29-174.200000114C94C94-G96 PolarHBondContact O-N 3.34Å
97G84.5Confident88.2Confident78 Ų7871.7 Ų71.780%0.80443%0.429SS*.THydrogen-bonded Turntrans-74.2-47.1-179.600000112.3D95D95-G97 VanDerWaalsContact C-N 3.33Å; D95-G97 PolarHBondContact O-N 2.84Å; D95-G97 PolarHBondContact OD1-N 2.84Å
98T80.2Confident88.2Confident91 Ų9171.4 Ų71.456%0.55843%0.428SS*.THydrogen-bonded Turntrans-90.9-20.4-178.461.30000113.4D95 T100D95-T98 WeakPolarHBondContact CB-OG1 3.45Å; D95-T98 WeakPolarHBondContact OD1-CB 3.12Å; D95-T98 WeakPolarHBondContact OD1-CG2 3.5Å; D95-T98 PolarHBondContact OD1-N 2.81Å; D95-T98 PolarHBondContact OD1-OG1 2.04Å; T98-T100 PolarHBondContact O-N 3.31Å; T98-T100 PolarHBondContact OG1-N 2.89Å; T98-T100 PolarHBondContact OG1-OG1 3.01Å
99G82.6Confident87.9Confident21 Ų2175.1 Ų75.122%0.21644%0.444CS..THydrogen-bonded Turntrans63.427.6-170.900000112.3D95 C126D95-G99 VanDerWaalsContact O-CA 3.25Å; D95-G99 WeakPolarHBondContact O-CA 3.42Å; D95-G99 PolarHBondContact O-N 3.43Å; G99-C126 WeakPolarHBondContact O-CB 3.38Å; G99-C126 PolarHBondContact O-N 2.8Å; G99-C126 PolarHBondContact O-SG 2.87Å; G99-C126 VanDerWaalsContact O-SG 3.34Å
100T84.5Confident87.5Confident30 Ų3071.3 Ų71.318%0.18443%0.433CS..EExtended strand (participates in β ladder)trans-124.3155.8179.769.50000110.9D95 T98 T123 K124D95-T100 WeakPolarHBondContact CB-O 3.07Å; D95-T100 PolarHBondContact N-O 2.88Å; T98-T100 PolarHBondContact O-N 3.31Å; T98-T100 PolarHBondContact OG1-N 2.89Å; T98-T100 PolarHBondContact OG1-OG1 3.01Å; T100-T123 HydrophobicContact CG2-CG2 3.8Å; T100-T123 VanDerWaalsContact OG1-CG2 3.22Å; T100-T123 WeakPolarHBondContact OG1-CG2 3.48Å; T100-K124 CarbonylContact C-O 3.53Å; T100-K124 VanDerWaalsContact CA-O 3.28Å; T100-K124 WeakPolarHBondContact CA-O 3.35Å; T100-K124 WeakPolarHBondContact CB-O 3.45Å
101K89.8Confident87Confident52 Ų5270.2 Ų70.223%0.22642%0.417CS..EExtended strand (participates in β ladder)trans-112.6143.417058.2-179.9-164.6162.70108.9W91 T123 K124W91-K101 HydrophobicContact CB-CD 3.96Å; W91-K101 HydrophobicContact CD2-CD 3.94Å; W91-K101 VanDerWaalsContact CD2-CE 3.44Å; W91-K101 HydrophobicContact CD2-CG 4.16Å; W91-K101 HydrophobicContact CE3-CB 4.22Å; W91-K101 HydrophobicContact CE3-CD 3.9Å; W91-K101 HydrophobicContact CE3-CG 3.6Å; W91-K101 HydrophobicContact CG-CD 3.99Å; W91-K101 HydrophobicContact CZ3-CG 4.08Å; W91-K101 WeakPolarHBondContact CZ3-O 3.37Å; K101-T123 WeakPolarHBondContact O-CA 3.34Å; K101-K124 HydrophobicContact CG-CB 4.32Å; K101-K124 PolarHBondContact N-O 2.89Å; K101-K124 PolarHBondContact O-N 3.13Å
102V88.5Confident86.7Confident46 Ų4676 Ų7628%0.27944%0.441SS..EExtended strand (participates in β ladder)trans-115.2153.5-178.9-620000110.3G92 V122 T123G92-V102 PolarHBondContact N-O 3.1Å; V102-V122 WeakPolarHBondContact CA-O 3.16Å; V102-T123 HydrophobicContact CG1-CG2 4.17Å
103R90.4Very high86Confident46 Ų4681.9 Ų81.917%0.17446%0.463CS..EExtended strand (participates in β ladder)trans-147.2156.2164.864.6-177.7-178.6172.70.7109.5F88 W91 V122F88-R103 HydrophobicContact CD1-CG 4.13Å; W91-R103 HydrophobicContact CD2-CB 4.42Å; W91-R103 HydrophobicContact CD2-CG 4.13Å; W91-R103 HydrophobicContact CE3-CB 4.02Å; W91-R103 HydrophobicContact CE3-CG 3.78Å; W91-R103 HydrophobicContact CH2-CG 4.06Å; W91-R103 HydrophobicContact CZ2-CG 4.38Å; W91-R103 VanDerWaalsContact CZ2-CZ 3.48Å; W91-R103 VanDerWaalsContact CZ2-NE 3.27Å; W91-R103 HydrophobicContact CZ3-CB 4.38Å; W91-R103 HydrophobicContact CZ3-CG 3.75Å; R103-V122 HydrophobicContact CG-CG2 3.37Å; R103-V122 PolarHBondContact N-O 2.81Å; R103-V122 PolarHBondContact O-N 2.77Å
104Q90Very high85.6Confident115 Ų11579 Ų7954%0.53744%0.44SS..EExtended strand (participates in β ladder)trans-98.4152.4172.2-69.9177.3-54.900110F88 E89 I120F88-Q104 WeakPolarHBondContact CA-O 3.35Å; E89-Q104 PolarHBondContact N-O 3.44Å; Q104-I120 CarbonylContact C-O 3.56Å; Q104-I120 WeakPolarHBondContact CA-O 3.43Å
105G90.4Very high85.1Confident1 Ų185.3 Ų85.31%0.0146%0.462CS..EExtended strand (participates in β ladder)trans-137.8137.9171.600000111.1K87 T119 I120K87-G105 CarbonylContact O-C 3.56Å; K87-G105 WeakPolarHBondContact O-CA 3.11Å; G105-T119 CarbonylContact O-C 3.55Å; G105-T119 WeakPolarHBondContact O-CA 3.4Å; G105-I120 PolarHBondContact N-O 3.27Å; G105-I120 PolarHBondContact O-N 2.02Å
106T91.3Very high85Confident73 Ų7382.7 Ų82.745%0.44845%0.449SS..EExtended strand (participates in β ladder)trans-99.6139.9177.2-43.20000109.5Y86 K87 K108 E118 T119Y86-T106 CarbonylContact C-O 3.44Å; Y86-T106 VanDerWaalsContact CA-O 3.3Å; Y86-T106 WeakPolarHBondContact CA-O 3.25Å; K87-T106 PolarHBondContact N-O 2.75Å; K87-T106 PolarHBondContact O-N 2.98Å; T106-K108 PolarHBondContact O-N 3.35Å; T106-E118 CarbonylContact C-O 3.51Å; T106-E118 WeakPolarHBondContact CA-O 3.02Å; T106-T119 HydrophobicContact CG2-CG2 4.42Å
107L88.9Confident85Confident51 Ų5185.9 Ų85.927%0.26745%0.446SS..EExtended strand (participates in β ladder)trans-62.7123.4179.8-17763.4000109.3C84 Y86 C116 E118C84-L107 HydrophobicContact CB-CD1 4.18Å; Y86-L107 HydrophobicContact CD1-CB 4.12Å; Y86-L107 HydrophobicContact CD1-CD1 4.35Å; Y86-L107 HydrophobicContact CE1-CB 3.74Å; Y86-L107 HydrophobicContact CE1-CD1 3.86Å; Y86-L107 HydrophobicContact CE1-CG 4.41Å; Y86-L107 HydrophobicContact CE2-CD1 4.23Å; L107-C116 HydrophobicContact CD1-CB 3.54Å; L107-C116 HydrophobicContact CD2-CB 3.5Å; L107-C116 VanDerWaalsContact CD2-CB 3.5Å; L107-C116 HydrophobicContact CG-CB 4.17Å; L107-E118 WeakPolarHBondContact CB-O 3.45Å; L107-E118 PolarHBondContact N-O 2.92Å
108K90Very high85.2Confident147 Ų14789.5 Ų89.564%0.63944%0.442SS*.EExtended strand (participates in β ladder)trans-97.3-39.3174.5-176.1171.2-177.8169.80111.3K85 T106K85-K108 WeakPolarHBondContact O-CA 2.98Å; K85-K108 WeakPolarHBondContact O-CB 3.4Å; K85-K108 PolarHBondContact O-N 2.92Å; T106-K108 PolarHBondContact O-N 3.35Å
109K86.3Confident85.6Confident132 Ų13289.3 Ų89.357%0.57444%0.441SS*.EExtended strand (participates in β ladder)trans-160128.6-178.7-171.3166.7-175.2169.80110.6K85K85-K109 HydrophobicContact CB-CB 4.4Å; K85-K109 PolarHBondContact N-O 3.06Å; K85-K109 PolarHBondContact O-N 2.8Å; K85-K109 VanDerWaalsContact O-N 3.13Å
110A84.2Confident85.9Confident38 Ų3888.8 Ų88.831%0.31443%0.433SS..EExtended strand (participates in β ladder)trans-85.9131.9161.300000108.9C116A110-C116 HydrophobicContact CB-CB 4.23Å; A110-C116 WeakPolarHBondContact CB-SG 3.34Å
111R81.1Confident86Confident128 Ų12895.4 Ų95.448%0.48346%0.455SS..SBendtrans-95.2149.2170.3-64.7-178.4171.6-171-5.3109.3D83 N113 A114D83-R111 HydrophobicContact CB-CB 4.37Å; D83-R111 WeakPolarHBondContact O-CB 3.43Å; D83-R111 WeakPolarHBondContact O-CG 3.3Å; D83-R111 PolarHBondContact O-N 3.04Å; R111-N113 PolarHBondContact O-N 2.97Å; R111-N113 VanDerWaalsContact O-N 3.16Å; R111-A114 WeakPolarHBondContact O-CB 3.44Å; R111-A114 PolarHBondContact O-N 3.31Å
112Y82.5Confident85.8Confident196 Ų19693.2 Ų93.277%0.76945%0.446SS*.THydrogen-bonded Turntrans5631.9173.4-48.8-72.1000114.8A114Y112-A114 PolarHBondContact O-N 3.35Å; Y112-A114 VanDerWaalsContact O-N 3.16Å
113N74.8Confident85.7Confident161 Ų16194.3 Ų94.386%0.86145%0.452SS*.THydrogen-bonded Turntrans5429.7-173.8-59.1-53.5000113.5R111 Q115R111-N113 PolarHBondContact O-N 2.97Å; R111-N113 VanDerWaalsContact O-N 3.16Å; N113-Q115 PolarHBondContact O-N 3.43Å
114A78.6Confident85.3Confident32 Ų3296.6 Ų96.626%0.26446%0.464SS..  trans-60.1138.2174.700000110.7D83 R111 Y112 C116D83-A114 HydrophobicContact CB-CB 3.86Å; R111-A114 WeakPolarHBondContact O-CB 3.44Å; R111-A114 PolarHBondContact O-N 3.31Å; Y112-A114 PolarHBondContact O-N 3.35Å; Y112-A114 VanDerWaalsContact O-N 3.16Å; A114-C116 PolarHBondContact O-N 3.31Å; A114-C116 PolarHBondContact O-SG 3.28Å
115Q79.2Confident84.9Confident205 Ų20595.2 Ų95.296%0.95847%0.465SS*.  trans-72.196.8172-67.5-169.3-70.100109.2N113N113-Q115 PolarHBondContact O-N 3.43Å
116C82.9Confident84.4Confident26 Ų2696.6 Ų96.618%0.17647%0.474CS..  trans-103.1136.6179.9-58.10000110.1C84 L107 A110 A114C84-C116 VanDerWaalsContact CA-SG 3.53Å; C84-C116 HydrophobicContact CB-CB 3.72Å; C84-C116 WeakPolarHBondContact CB-SG 2.99Å; C84-C116 VanDerWaalsContact SG-CA 3.51Å; C84-C116 WeakPolarHBondContact SG-CB 3.36Å; C84-C116 CovalentContact SG-SG 2.02Å; C84-C116 PolarHBondContact SG-SG 3.45Å; L107-C116 HydrophobicContact CD1-CB 3.54Å; L107-C116 HydrophobicContact CD2-CB 3.5Å; L107-C116 VanDerWaalsContact CD2-CB 3.5Å; L107-C116 HydrophobicContact CG-CB 4.17Å; A110-C116 HydrophobicContact CB-CB 4.23Å; A110-C116 WeakPolarHBondContact CB-SG 3.34Å; A114-C116 PolarHBondContact O-N 3.31Å; A114-C116 PolarHBondContact O-SG 3.28Å
117Q84.5Confident83.4Confident135 Ų13599.1 Ų99.163%0.63149%0.489SS*.  trans-65.9140.9168.7-67.3-177.8-37.800109.6Y86 T119 I120Y86-Q117 WeakPolarHBondContact CE1-O 3.39Å; Y86-Q117 PolarHBondContact OH-N 3Å; Y86-Q117 PolarHBondContact OH-O 2.87Å; Q117-T119 VanDerWaalsContact C-N 3.32Å; Q117-T119 PolarHBondContact O-N 3.45Å; Q117-I120 HydrophobicContact CB-CG2 4.02Å
118E88.5Confident81.9Confident153 Ų153101.9 Ų101.972%0.71551%0.51SS*.SBendtrans-66.9-35.2180-171.5173-167.500112.1T106 L107T106-E118 CarbonylContact C-O 3.51Å; T106-E118 WeakPolarHBondContact CA-O 3.02Å; L107-E118 WeakPolarHBondContact CB-O 3.45Å; L107-E118 PolarHBondContact N-O 2.92Å
119T88.6Confident80.2Confident87 Ų87103.4 Ų103.453%0.53452%0.517SS..EExtended strand (participates in β ladder)trans-129.7142.6172.259.20000110.4G105 T106 Q117G105-T119 CarbonylContact O-C 3.55Å; G105-T119 WeakPolarHBondContact O-CA 3.4Å; T106-T119 HydrophobicContact CG2-CG2 4.42Å; Q117-T119 VanDerWaalsContact C-N 3.32Å; Q117-T119 PolarHBondContact O-N 3.45Å
120I88.8Confident78.4Confident10 Ų10103.7 Ų103.75%0.05153%0.53CS..EExtended strand (participates in β ladder)trans-127.5149.3175.761168.2000110.2F80 Y86 F88 Q104 G105 Q117 V122F80-I120 HydrophobicContact CB-CD1 4.14Å; F80-I120 HydrophobicContact CB-CG2 4.34Å; F80-I120 HydrophobicContact CD1-CD1 3.53Å; F80-I120 HydrophobicContact CD2-CD1 3.86Å; F80-I120 HydrophobicContact CE1-CD1 3.74Å; F80-I120 HydrophobicContact CE2-CD1 3.99Å; F80-I120 HydrophobicContact CG-CD1 3.59Å; F80-I120 HydrophobicContact CZ-CD1 3.96Å; Y86-I120 HydrophobicContact CD1-CB 4.47Å; Y86-I120 HydrophobicContact CD1-CD1 3.74Å; Y86-I120 HydrophobicContact CD1-CG1 3.57Å; Y86-I120 HydrophobicContact CD1-CG2 4.24Å; Y86-I120 HydrophobicContact CD2-CD1 3.43Å; Y86-I120 VanDerWaalsContact CD2-CD1 3.43Å; Y86-I120 HydrophobicContact CD2-CG1 4.22Å; Y86-I120 HydrophobicContact CE1-CB 4.23Å; Y86-I120 HydrophobicContact CE1-CD1 4.04Å; Y86-I120 HydrophobicContact CE1-CG1 3.79Å; Y86-I120 HydrophobicContact CE1-CG2 3.54Å; Y86-I120 HydrophobicContact CE2-CD1 3.73Å; Y86-I120 HydrophobicContact CE2-CG1 4.39Å; Y86-I120 HydrophobicContact CE2-CG2 4.17Å; Y86-I120 HydrophobicContact CG-CD1 3.44Å; Y86-I120 VanDerWaalsContact CG-CD1 3.44Å; Y86-I120 HydrophobicContact CG-CG1 3.81Å; F88-I120 HydrophobicContact CE1-CD1 3.61Å; F88-I120 HydrophobicContact CE1-CG1 4.03Å; F88-I120 HydrophobicContact CZ-CD1 3.58Å; F88-I120 HydrophobicContact CZ-CG1 4.44Å; Q104-I120 CarbonylContact C-O 3.56Å; Q104-I120 WeakPolarHBondContact CA-O 3.43Å; G105-I120 PolarHBondContact N-O 3.27Å; G105-I120 PolarHBondContact O-N 2.02Å; Q117-I120 HydrophobicContact CB-CG2 4.02Å; I120-V122 HydrophobicContact CD1-CG1 4.02Å; I120-V122 HydrophobicContact CG1-CG1 4.45Å
121R85.8Confident76.7Confident169 Ų169110.7 Ų110.764%0.63855%0.553SS**EExtended strand (participates in β ladder)trans-112.6129.3172-174.2177.4176.5-153.21.5108.7
122V86.7Confident75.2Confident6 Ų6109 Ų1094%0.03657%0.567CS.*EExtended strand (participates in β ladder)trans-124.8135.5-178.5-60.30000111W76 F80 F88 W91 V102 R103 I120W76-V122 HydrophobicContact CE3-CB 3.71Å; W76-V122 HydrophobicContact CE3-CG1 3.82Å; W76-V122 HydrophobicContact CE3-CG2 4.12Å; W76-V122 HydrophobicContact CZ3-CB 3.82Å; W76-V122 HydrophobicContact CZ3-CG1 3.76Å; W76-V122 HydrophobicContact CZ3-CG2 3.77Å; F80-V122 HydrophobicContact CD1-CG1 4.22Å; F80-V122 HydrophobicContact CE1-CG1 3.49Å; F80-V122 VanDerWaalsContact CE1-CG1 3.49Å; F80-V122 HydrophobicContact CZ-CG1 4.2Å; F88-V122 HydrophobicContact CD1-CG2 3.93Å; F88-V122 HydrophobicContact CE1-CB 4.4Å; F88-V122 HydrophobicContact CE1-CG1 3.85Å; F88-V122 HydrophobicContact CE1-CG2 3.6Å; F88-V122 HydrophobicContact CZ-CG1 4.39Å; W91-V122 HydrophobicContact CH2-CG2 4.15Å; W91-V122 HydrophobicContact CZ3-CG2 4.46Å; V102-V122 WeakPolarHBondContact CA-O 3.16Å; R103-V122 HydrophobicContact CG-CG2 3.37Å; R103-V122 PolarHBondContact N-O 2.81Å; R103-V122 PolarHBondContact O-N 2.77Å; I120-V122 HydrophobicContact CD1-CG1 4.02Å; I120-V122 HydrophobicContact CG1-CG1 4.45Å
123T85.3Confident73.5Confident69 Ų69108.8 Ų108.842%0.42357%0.57SS.*EExtended strand (participates in β ladder)trans-114.9135.6-175.9-56.20000109.7T100 K101 V102T100-T123 HydrophobicContact CG2-CG2 3.8Å; T100-T123 VanDerWaalsContact OG1-CG2 3.22Å; T100-T123 WeakPolarHBondContact OG1-CG2 3.48Å; K101-T123 WeakPolarHBondContact O-CA 3.34Å; V102-T123 HydrophobicContact CG1-CG2 4.17Å
124K82.2Confident72.2Confident94 Ų94105.5 Ų105.541%0.40957%0.565SS.*EExtended strand (participates in β ladder)trans-131.5137.1175.3-176-175175.3179.90109.7W91 T100 K101 C126W91-K124 HydrophobicContact CH2-CB 3.51Å; W91-K124 HydrophobicContact CH2-CD 4.31Å; W91-K124 HydrophobicContact CZ2-CB 4.21Å; W91-K124 HydrophobicContact CZ2-CD 4.15Å; W91-K124 HydrophobicContact CZ3-CB 3.76Å; T100-K124 CarbonylContact C-O 3.53Å; T100-K124 VanDerWaalsContact CA-O 3.28Å; T100-K124 WeakPolarHBondContact CA-O 3.35Å; T100-K124 WeakPolarHBondContact CB-O 3.45Å; K101-K124 HydrophobicContact CG-CB 4.32Å; K101-K124 PolarHBondContact N-O 2.89Å; K101-K124 PolarHBondContact O-N 3.13Å; K124-C126 PolarHBondContact O-N 2.83Å
125P82Confident70.6Confident87 Ų87113.5 Ų113.557%0.56559%0.594SS**EExtended strand (participates in β ladder)trans-58.7137.5171.624.6-33.6000110.9
126C81Confident69.2Low29 Ų29107.5 Ų107.520%0.19658%0.58CS.*  trans-62.1143.7167.1-55.30000108C94 G99 K124C94-C126 VanDerWaalsContact CA-SG 3.57Å; C94-C126 HydrophobicContact CB-CB 4.14Å; C94-C126 WeakPolarHBondContact CB-SG 3.21Å; C94-C126 WeakPolarHBondContact SG-CB 3.41Å; C94-C126 CovalentContact SG-SG 2.02Å; C94-C126 PolarHBondContact SG-SG 2.89Å; G99-C126 WeakPolarHBondContact O-CB 3.38Å; G99-C126 PolarHBondContact O-N 2.8Å; G99-C126 PolarHBondContact O-SG 2.87Å; G99-C126 VanDerWaalsContact O-SG 3.34Å; K124-C126 PolarHBondContact O-N 2.83Å
127T70.2Confident67.4Low126 Ų126116.4 Ų116.477%0.77362%0.615SS**SBendtrans-45.8142.2178.937.60000110.7K129T127-K129 PolarHBondContact O-N 2.84Å; T127-K129 VanDerWaalsContact O-N 3.07Å
128P56.7Low65.5Low109 Ų109119.6 Ų119.671%0.70863%0.627SS**  trans-52.5121.9-162.619.9-31.6000109.2T130P128-T130 PolarHBondContact O-N 3.48Å; P128-T130 PolarHBondContact O-OG1 2.76Å
129K54.6Low63.4Low180 Ų180115.8 Ų115.878%0.78363%0.629SS**  trans-4399.5161.2-79.8-175.2176.8173.80105.1T127 K131T127-K129 PolarHBondContact O-N 2.84Å; T127-K129 VanDerWaalsContact O-N 3.07Å; K129-K131 PolarHBondContact O-N 2.75Å
130T48.6Very low61.3Low138 Ų138121.8 Ų121.885%0.84765%0.647SS**  trans-61.7112.7177-39.50000102.3P128 A132P128-T130 PolarHBondContact O-N 3.48Å; P128-T130 PolarHBondContact O-OG1 2.76Å; T130-A132 PolarHBondContact O-N 3.25Å; T130-A132 VanDerWaalsContact O-N 3.14Å
131K48.4Very low59.1Low184 Ų184125 Ų12580%0.868%0.683SS**  trans-13.3109.2-170-60.9-163178.2-169.50110.7K129 K133K129-K131 PolarHBondContact O-N 2.75Å; K131-K133 VanDerWaalsContact C-N 3.31Å; K131-K133 PolarHBondContact O-N 3.44Å
132A49Very low57Low94 Ų94126 Ų12678%0.77769%0.692SS**  trans-39.3108.7166.300000105.3T130 A134T130-A132 PolarHBondContact O-N 3.25Å; T130-A132 VanDerWaalsContact O-N 3.14Å; A132-A134 VanDerWaalsContact C-N 3.26Å; A132-A134 PolarHBondContact O-N 3Å
133K46.4Very low55.3Low191 Ų191137.4 Ų137.483%0.8375%0.753SS**  trans-56.3107.4-177.8-74.4-162.8177.8-172.60102.8K131 K135K131-K133 VanDerWaalsContact C-N 3.31Å; K131-K133 PolarHBondContact O-N 3.44Å; K133-K135 PolarHBondContact O-N 3.49Å
134A47.8Very low53.7Low91 Ų91140.8 Ų140.875%0.75277%0.769SS**  trans-51.998.9161.400000103.1A132 A136A132-A134 VanDerWaalsContact C-N 3.26Å; A132-A134 PolarHBondContact O-N 3Å; A134-A136 PolarHBondContact O-N 2.96Å
135K46.4Very low52.3Low201 Ų201143.3 Ų143.387%0.87479%0.788SS**  trans-64.477.1161.3-78.7-165.3176.9-173.30103.4K133 K137K133-K135 PolarHBondContact O-N 3.49Å; K135-K137 PolarHBondContact O-N 3.16Å
136A47.9Very low50.6Low79 Ų79146.4 Ų146.465%0.65380%0.801SS**  trans-58.595159.200000103.8A134 K138A134-A136 PolarHBondContact O-N 2.96Å; A136-K138 PolarHBondContact O-N 3.16Å
137K45.6Very low48.8Very low213 Ų213153.3 Ų153.393%0.92684%0.836SS**  trans-55.890.5156.7-84.7-174.9171.2-177.30105.2K135K135-K137 PolarHBondContact O-N 3.16Å
138K44.2Very low47.5Very low202 Ų202155 Ų15588%0.87884%0.84SS**  trans-119.6113.5171.1-154.8-178.6-173.8-176.50105.4A136A136-K138 PolarHBondContact O-N 3.16Å
139G44.7Very low46.9Very low73 Ų73158.1 Ų158.175%0.75385%0.849SS**  trans120.9116.6-173.800000108.5
140K46Very low46.3Very low212 Ų212156.5 Ų156.592%0.92285%0.854SS**  cis-155.5106.141.9-163.8175.4-179.1-173.70108
141G41Very low46.1Very low78 Ų78157.9 Ų157.980%0.80485%0.854SS**  trans-94.8123.1156.600000107.3
142K42.8Very low45.9Very low190 Ų190155.8 Ų155.883%0.82686%0.859SS**  trans-178.394.9147.8-129.3-175.6175.7-175.10107.4
143D49.6Very low45.7Very low245 Ų245161.4 Ų161.4100%1.3187%0.866SS**  trans-1400137.2-82.6-60.4000105.8

Retrieved 143 of 143 residues in 25.7 ms (Link to these results)