A0A087X113_HUMAN Loading...

CD177 molecule

AlphaFold DB , UniProt , Accession A0A087X113, Species HUMAN (Homo sapiens, Human), Gene CD177, Length 139 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.2Low61.3Low220 Ų220106.3 Ų106.3100%1.08463%0.634SS**  0125.10-48.3-155.693.200106.8
2S74.3Confident60.8Low72 Ų72113.3 Ų113.350%0.50365%0.651SS.*  trans-68132-167.6-1790000111.3V4 L5 L6S2-V4 PolarHBondContact O-N 3.07Å; S2-V4 VanDerWaalsContact O-N 3.12Å; S2-V4 PolarHBondContact OG-N 3.14Å; S2-L5 WeakPolarHBondContact O-CB 3.43Å; S2-L5 PolarHBondContact O-N 3.44Å; S2-L6 PolarHBondContact O-N 3.38Å
3A63.5Low60.5Low70 Ų70115 Ų11558%0.57965%0.654SS**Hα-helixtrans-56.1-26.2174.400000112.5L5 L6 L7A3-L5 VanDerWaalsContact C-N 3.35Å; A3-L6 PolarHBondContact O-N 3.32Å; A3-L7 PolarHBondContact O-N 3.06Å; A3-L7 VanDerWaalsContact O-N 3.14Å
4V65Low60.4Low105 Ų105117 Ų11764%0.63666%0.661SS**Hα-helixtrans-66-36.5174.7-175.80000111.7S2 A8S2-V4 PolarHBondContact O-N 3.07Å; S2-V4 VanDerWaalsContact O-N 3.12Å; S2-V4 PolarHBondContact OG-N 3.14Å; V4-A8 WeakPolarHBondContact O-CB 3.46Å; V4-A8 PolarHBondContact O-N 2.92Å; V4-A8 VanDerWaalsContact O-N 3.07Å
5L60.6Low60.3Low108 Ų108116.7 Ų116.757%0.56567%0.666SS**Hα-helixtrans-71.6-35.1179.2-157.381000111.4S2 A3 L9S2-L5 WeakPolarHBondContact O-CB 3.43Å; S2-L5 PolarHBondContact O-N 3.44Å; A3-L5 VanDerWaalsContact C-N 3.35Å; L5-L9 WeakPolarHBondContact O-CD1 3.35Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 3.12Å; L5-L9 VanDerWaalsContact O-N 3.14Å
6L60.9Low60.2Low103 Ų103119.1 Ų119.154%0.53968%0.675SS.*Hα-helixtrans-66.8-43.6174.7-96.9142.5000112.1S2 A3 L9 L10S2-L6 PolarHBondContact O-N 3.38Å; A3-L6 PolarHBondContact O-N 3.32Å; L6-L9 PolarHBondContact O-N 3.41Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 WeakPolarHBondContact O-CD1 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.02Å
7L61.5Low60Low126 Ų126119.5 Ų119.566%0.6668%0.683SS**Hα-helixtrans-66.7-36.9176.5-75.1165.2000112.5A3 L10 G11A3-L7 PolarHBondContact O-N 3.06Å; A3-L7 VanDerWaalsContact O-N 3.14Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-G11 PolarHBondContact O-N 3.14Å
8A60.3Low59.8Low71 Ų71115.9 Ų115.959%0.58768%0.677SS**Hα-helixtrans-66.7-35.2175.400000112.8V4V4-A8 WeakPolarHBondContact O-CB 3.46Å; V4-A8 PolarHBondContact O-N 2.92Å; V4-A8 VanDerWaalsContact O-N 3.07Å
9L58.3Low59.9Low121 Ų121114.6 Ų114.663%0.63467%0.67SS**Hα-helixtrans-74.3-34.1175.1-74.3163.1000112.6L5 L6L5-L9 WeakPolarHBondContact O-CD1 3.35Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 3.12Å; L5-L9 VanDerWaalsContact O-N 3.14Å; L6-L9 PolarHBondContact O-N 3.41Å
10L58.2Low60.3Low117 Ų117117.9 Ų117.961%0.61368%0.679SS**Hα-helixtrans-74.5-25.7177.4-81.2157.3000113.3L6 L7 F12L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 WeakPolarHBondContact O-CD1 3.47Å; L6-L10 WeakPolarHBondContact O-CG 3.43Å; L6-L10 PolarHBondContact O-N 3.02Å; L7-L10 PolarHBondContact O-N 3.37Å; L10-F12 PolarHBondContact O-N 3.43Å
11G56.1Low61.2Low56 Ų56114.8 Ų114.858%0.57767%0.668SS**THydrogen-bonded Turntrans-72.2-9.8178.500000115.3L7L7-G11 PolarHBondContact O-N 3.14Å
12F54.4Low62.9Low190 Ų190105.3 Ų105.383%0.83362%0.621SS**THydrogen-bonded Turntrans-95.9-7.5-174.8-147.4-95.1000114.2L10L10-F12 PolarHBondContact O-N 3.43Å
13I57.6Low64Low136 Ų136104.9 Ų104.970%0.69761%0.613SS**  trans-109.625.7-177.6-35.1-176.7000111.8P15I13-P15 VanDerWaalsContact O-CD 3.22Å; I13-P15 WeakPolarHBondContact O-CD 3.22Å
14L58.7Low65.7Low143 Ų143101.5 Ų101.575%0.74959%0.585SS**  trans-96.398.8161.5-74.8167.5000106L16L14-L16 PolarHBondContact O-N 2.98Å
15P59.3Low67.3Low112 Ų11297.7 Ų97.773%0.72756%0.56SS**  trans-56.4114.516425.6-29.9000104.8I13I13-P15 VanDerWaalsContact O-CD 3.22Å; I13-P15 WeakPolarHBondContact O-CD 3.22Å
16L58.3Low69.1Low156 Ų15697.2 Ų97.282%0.81755%0.554SS**  trans-44.8129.7159.8-77.8153.5000105L14 G18L14-L16 PolarHBondContact O-N 2.98Å; L16-G18 PolarHBondContact O-N 2.6Å
17P57.4Low70.9Confident125 Ų12593.1 Ų93.181%0.81254%0.536SS*.  trans-63.584173.825-30.8000106.5V19P17-V19 PolarHBondContact O-N 2.91Å
18G55.9Low72.6Confident55 Ų5592.3 Ų92.357%0.56754%0.537SS*.  trans-57.8125.4169.800000104.4L16 Q20L16-G18 PolarHBondContact O-N 2.6Å; G18-Q20 VanDerWaalsContact C-N 3.27Å; G18-Q20 PolarHBondContact O-N 3.08Å
19V61.9Low74.3Confident92 Ų9291.2 Ų91.256%0.55852%0.523SS*.  trans-58.597.8178.1-178.60000106.6P17 S51 G52P17-V19 PolarHBondContact O-N 2.91Å; V19-S51 PolarHBondContact O-OG 2.8Å; V19-G52 VanDerWaalsContact CG1-N 3.32Å
20Q68.3Low76.2Confident179 Ų17993.4 Ų93.484%0.83653%0.53SS*.PPolyproline II helixtrans-61.7141.5-177.2-84.2171.8-19.600108.6G18 L22G18-Q20 VanDerWaalsContact C-N 3.27Å; G18-Q20 PolarHBondContact O-N 3.08Å; Q20-L22 PolarHBondContact O-N 3.4Å
21A78.1Confident78Confident54 Ų5492 Ų9245%0.44652%0.52SS..PPolyproline II helixtrans-62.6126170.800000108.4C49A21-C49 WeakPolarHBondContact CB-O 3.47Å
22L93.3Very high80Confident20 Ų2093 Ų9311%0.10552%0.515CS..PPolyproline II helixtrans-87.8137.3-178.8-167.270.4000109.5Q20 C49 C55Q20-L22 PolarHBondContact O-N 3.4Å; L22-C49 WeakPolarHBondContact O-CB 3.38Å; L22-C49 PolarHBondContact O-N 2.79Å; L22-C55 WeakPolarHBondContact CD2-SG 3.42Å
23L97.5Very high82Confident63 Ų6387.1 Ų87.133%0.3349%0.487SS..EExtended strand (participates in β ladder)trans-87.7131168.4-60.7176.3000109.5T47 D108 F109L23-T47 CarbonylContact C-O 3.58Å; L23-T47 WeakPolarHBondContact CA-O 3.41Å; L23-D108 HydrophobicContact CB-CB 4.07Å; L23-D108 PolarHBondContact N-OD1 2.95Å; L23-D108 CarbonylContact O-C 3.55Å; L23-D108 WeakPolarHBondContact O-CA 3.47Å; L23-F109 HydrophobicContact CB-CD1 4.33Å; L23-F109 HydrophobicContact CB-CE1 3.67Å; L23-F109 HydrophobicContact CB-CE2 3.99Å; L23-F109 HydrophobicContact CB-CZ 3.49Å; L23-F109 VanDerWaalsContact CB-CZ 3.49Å; L23-F109 HydrophobicContact CD1-CE2 4.03Å; L23-F109 HydrophobicContact CD1-CZ 3.73Å; L23-F109 HydrophobicContact CG-CZ 4.22Å; L23-F109 PolarHBondContact O-N 2.03Å
24C98.4Very high83.8Confident0 Ų086.9 Ų86.90%048%0.481CS..EExtended strand (participates in β ladder)trans-125.9155.7179.1-62.10000111.6N46 T47 C49 C55C24-N46 CarbonylContact O-C 3.55Å; C24-N46 WeakPolarHBondContact O-CA 3.04Å; C24-T47 HydrophobicContact CB-CG2 4.22Å; C24-T47 PolarHBondContact N-O 3.26Å; C24-T47 PolarHBondContact O-N 3.22Å; C24-C49 PolarHBondContact SG-SG 2.83Å; C24-C55 VanDerWaalsContact CA-SG 3.5Å; C24-C55 HydrophobicContact CB-CB 3.73Å; C24-C55 WeakPolarHBondContact CB-SG 3.45Å; C24-C55 WeakPolarHBondContact SG-CA 3.48Å; C24-C55 WeakPolarHBondContact SG-CB 3.34Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 2.02Å
25Q98.5Very high85.4Confident25 Ų2581.7 Ų81.712%0.11746%0.455CS..EExtended strand (participates in β ladder)trans-69.4140.5163-64.9-169.3-11.800109.7P44 K45 K74 G75 F109 N111Q25-P44 HydrophobicContact CB-CB 3.92Å; Q25-P44 HydrophobicContact CB-CG 4.11Å; Q25-P44 HydrophobicContact CG-CB 4.32Å; Q25-P44 HydrophobicContact CG-CG 3.97Å; Q25-P44 VanDerWaalsContact OE1-CG 3.31Å; Q25-K45 CarbonylContact C-O 3.47Å; Q25-K45 WeakPolarHBondContact CA-O 3.4Å; Q25-K74 HydrophobicContact CB-CD 4.35Å; Q25-K74 CarbonylContact O-C 3.55Å; Q25-K74 VanDerWaalsContact OE1-NZ 3.09Å; Q25-G75 WeakPolarHBondContact O-CA 3.37Å; Q25-G75 PolarHBondContact O-N 3.44Å; Q25-F109 HydrophobicContact CG-CD1 4.34Å; Q25-N111 WeakPolarHBondContact CB-OD1 3.39Å; Q25-N111 VanDerWaalsContact CD-O 3.28Å; Q25-N111 PolarHBondContact N-OD1 2.91Å; Q25-N111 PolarHBondContact O-ND2 3.34Å; Q25-N111 PolarHBondContact OE1-O 2.91Å
26F98.4Very high87Confident98 Ų9881 Ų8143%0.4345%0.453SS..EExtended strand (participates in β ladder)trans-132.5140.7-177.2-180-98.4000111.1K45 T47 K74F26-K45 PolarHBondContact N-O 2.76Å; F26-K45 PolarHBondContact O-N 3.23Å; F26-T47 HydrophobicContact CB-CG2 3.83Å; F26-T47 HydrophobicContact CD2-CG2 4.36Å; F26-T47 HydrophobicContact CG-CG2 4.39Å; F26-K74 WeakPolarHBondContact CA-O 3.44Å; F26-K74 WeakPolarHBondContact CD2-O 3.38Å
27G97.7Very high88.7Confident16 Ų1676.2 Ų76.217%0.16543%0.428CS..EExtended strand (participates in β ladder)trans158.915617300000112.7K74G27-K74 PolarHBondContact N-O 2.83Å; G27-K74 PolarHBondContact O-N 3.11Å
28T97.7Very high90.4Very high110 Ų11071 Ų7168%0.67539%0.394SS*.EExtended strand (participates in β ladder)trans-124.3142.2172.556.70000109.5L72T28-L72 CarbonylContact C-O 3.53Å; T28-L72 VanDerWaalsContact CA-O 3.24Å; T28-L72 WeakPolarHBondContact CA-O 3.49Å
29V96.9Very high92.2Very high48 Ų4871.4 Ų71.429%0.29139%0.386SS..EExtended strand (participates in β ladder)trans-132.7128.6169.8-179.50000107.3H31 L70 V71 L72V29-H31 HydrophobicContact CG1-CB 4.47Å; V29-L70 HydrophobicContact CB-CD2 4.14Å; V29-L70 HydrophobicContact CG1-CD2 3.9Å; V29-V71 CarbonylContact O-C 3.58Å; V29-V71 VanDerWaalsContact O-CA 3.3Å; V29-V71 WeakPolarHBondContact O-CA 2.99Å; V29-L72 HydrophobicContact CB-CB 3.9Å; V29-L72 HydrophobicContact CB-CD2 4.41Å; V29-L72 HydrophobicContact CG2-CB 4.34Å; V29-L72 HydrophobicContact CG2-CD2 3.94Å; V29-L72 PolarHBondContact N-O 3.49Å; V29-L72 PolarHBondContact O-N 2.85Å
30Q97.3Very high93.8Very high167 Ų16771 Ų7178%0.7837%0.374SS*.EExtended strand (participates in β ladder)trans-135.4106.8170.2-178175.6-6.600107.4L70 V71Q30-L70 WeakPolarHBondContact CA-O 3.39Å; Q30-V71 HydrophobicContact CG-CG2 4.49Å
31H97.2Very high95.1Very high88 Ų8870.6 Ų70.641%0.40737%0.373SS..EExtended strand (participates in β ladder)trans-153.6146.7-176.4-165.4-82.5000111.5V29 W33 L70V29-H31 HydrophobicContact CG1-CB 4.47Å; H31-W33 HydrophobicContact CB-CZ2 4.25Å; H31-W33 AromaticContact CE1-CD2 3.87Å; H31-W33 AromaticContact CE1-CE2 3.78Å; H31-W33 AromaticContact CE1-CE3 3.83Å; H31-W33 AromaticContact CE1-CH2 3.57Å; H31-W33 AromaticContact CE1-CZ2 3.68Å; H31-W33 AromaticContact CE1-CZ3 3.66Å; H31-W33 AromaticContact CG-CE2 3.67Å; H31-W33 AromaticContact CG-CZ2 3.68Å; H31-W33 AromaticContact CG-NE1 3.76Å; H31-W33 AromaticContact ND1-CD1 3.81Å; H31-W33 AromaticContact ND1-CD2 3.35Å; H31-W33 VanDerWaalsContact ND1-CD2 3.35Å; H31-W33 AromaticContact ND1-CE2 3.06Å; H31-W33 AromaticContact ND1-CE3 3.8Å; H31-W33 AromaticContact ND1-CG 3.83Å; H31-W33 AromaticContact ND1-CH2 3.71Å; H31-W33 AromaticContact ND1-CZ2 3.3Å; H31-W33 VanDerWaalsContact ND1-CZ2 3.3Å; H31-W33 WeakPolarHBondContact ND1-CZ2 3.42Å; H31-W33 AromaticContact ND1-CZ3 3.94Å; H31-W33 AromaticContact ND1-NE1 3.39Å; H31-W33 PolarHBondContact ND1-NE1 3.21Å; H31-L70 PolarHBondContact N-O 2.86Å; H31-L70 VanDerWaalsContact N-O 3.09Å; H31-L70 PolarHBondContact O-N 3.48Å
32V97.4Very high95.9Very high77 Ų7769.5 Ų69.547%0.46736%0.357SS..EExtended strand (participates in β ladder)trans-97121.6174.3-178.10000109.3Q67 V68V32-Q67 HydrophobicContact CG1-CB 4.15Å; V32-V68 WeakPolarHBondContact CA-O 3.34Å
33W95.6Very high96.1Very high65 Ų6575.2 Ų75.225%0.24639%0.393CS..EExtended strand (participates in β ladder)trans-114.1167.7178.2-63.1103.5000110.7H31 D37 R40 Q67 V68H31-W33 HydrophobicContact CB-CZ2 4.25Å; H31-W33 AromaticContact CE1-CD2 3.87Å; H31-W33 AromaticContact CE1-CE2 3.78Å; H31-W33 AromaticContact CE1-CE3 3.83Å; H31-W33 AromaticContact CE1-CH2 3.57Å; H31-W33 AromaticContact CE1-CZ2 3.68Å; H31-W33 AromaticContact CE1-CZ3 3.66Å; H31-W33 AromaticContact CG-CE2 3.67Å; H31-W33 AromaticContact CG-CZ2 3.68Å; H31-W33 AromaticContact CG-NE1 3.76Å; H31-W33 AromaticContact ND1-CD1 3.81Å; H31-W33 AromaticContact ND1-CD2 3.35Å; H31-W33 VanDerWaalsContact ND1-CD2 3.35Å; H31-W33 AromaticContact ND1-CE2 3.06Å; H31-W33 AromaticContact ND1-CE3 3.8Å; H31-W33 AromaticContact ND1-CG 3.83Å; H31-W33 AromaticContact ND1-CH2 3.71Å; H31-W33 AromaticContact ND1-CZ2 3.3Å; H31-W33 VanDerWaalsContact ND1-CZ2 3.3Å; H31-W33 WeakPolarHBondContact ND1-CZ2 3.42Å; H31-W33 AromaticContact ND1-CZ3 3.94Å; H31-W33 AromaticContact ND1-NE1 3.39Å; H31-W33 PolarHBondContact ND1-NE1 3.21Å; W33-D37 HydrophobicContact CB-CB 4.38Å; W33-R40 HydrophobicContact CG-CG 4.4Å; W33-Q67 WeakPolarHBondContact O-CA 3.44Å; W33-V68 HydrophobicContact CB-CG1 4.06Å; W33-V68 PolarHBondContact N-O 2.99Å; W33-V68 PolarHBondContact O-N 2.98Å
34K95.5Very high96.1Very high131 Ų13173.5 Ų73.557%0.5739%0.385SS*.EExtended strand (participates in β ladder)trans-75.4146.9161.4-60.2175.3-179173.60108.4S36 D37 P66K34-S36 WeakPolarHBondContact CB-OG 3.38Å; K34-S36 PolarHBondContact O-N 3.07Å; K34-D37 WeakPolarHBondContact CB-OD2 3.41Å; K34-D37 PolarHBondContact N-OD2 3.29Å; K34-D37 WeakPolarHBondContact O-CB 3.37Å; K34-D37 PolarHBondContact O-N 2.88Å; K34-P66 WeakPolarHBondContact CA-O 3.35Å
35V92.4Very high96.1Very high34 Ų3480.9 Ų80.921%0.20642%0.418CS..G310 helixtrans-55.8-34.9172.11730000110.8D37 L38 P66 V68 W120V35-D37 PolarHBondContact O-N 3.48Å; V35-D37 VanDerWaalsContact O-N 3.17Å; V35-L38 PolarHBondContact O-N 2.7Å; V35-P66 PolarHBondContact N-O 2.87Å; V35-V68 HydrophobicContact CG2-CB 4.19Å; V35-V68 HydrophobicContact CG2-CG1 4.4Å; V35-W120 HydrophobicContact CG1-CH2 3.4Å; V35-W120 HydrophobicContact CG1-CZ2 4.48Å; V35-W120 HydrophobicContact CG1-CZ3 3.83Å
36S93.1Very high96.1Very high98 Ų9884.7 Ų84.769%0.68544%0.438SS*.G310 helixtrans-64.2-14.5175.259.70000115K34K34-S36 WeakPolarHBondContact CB-OG 3.38Å; K34-S36 PolarHBondContact O-N 3.07Å
37D94.2Very high96.1Very high56 Ų5682.2 Ų82.230%0.29943%0.431SS..G310 helixtrans-90.3-8.2-179.4-54.6-28000112W33 K34 V35 R40W33-D37 HydrophobicContact CB-CB 4.38Å; K34-D37 WeakPolarHBondContact CB-OD2 3.41Å; K34-D37 PolarHBondContact N-OD2 3.29Å; K34-D37 WeakPolarHBondContact O-CB 3.37Å; K34-D37 PolarHBondContact O-N 2.88Å; V35-D37 PolarHBondContact O-N 3.48Å; V35-D37 VanDerWaalsContact O-N 3.17Å; D37-R40 WeakPolarHBondContact O-CD 3.03Å
38L92.8Very high96Very high16 Ų1684.9 Ų84.98%0.08445%0.448CS..PPolyproline II helixtrans-80.2147.9177.2-64.5-168.9000111.7V35 R40 L61 V68 W120V35-L38 PolarHBondContact O-N 2.7Å; L38-R40 HydrophobicContact CD2-CG 3.8Å; L38-L61 HydrophobicContact CD1-CD1 3.93Å; L38-L61 HydrophobicContact CD1-CD2 4.45Å; L38-V68 HydrophobicContact CD1-CB 4.43Å; L38-V68 HydrophobicContact CD1-CG1 3.8Å; L38-V68 HydrophobicContact CD1-CG2 4.16Å; L38-V68 HydrophobicContact CD2-CG1 4.15Å; L38-V68 HydrophobicContact CG-CG1 3.91Å; L38-W120 HydrophobicContact CB-CD2 3.88Å; L38-W120 HydrophobicContact CB-CE3 3.95Å; L38-W120 HydrophobicContact CB-CG 4.35Å; L38-W120 HydrophobicContact CB-CZ2 4.49Å; L38-W120 HydrophobicContact CB-CZ3 4.32Å; L38-W120 HydrophobicContact CD1-CD2 4.24Å; L38-W120 HydrophobicContact CD1-CE3 3.51Å; L38-W120 HydrophobicContact CD1-CZ3 3.81Å; L38-W120 HydrophobicContact CG-CE3 4.37Å
39P94.6Very high96Very high63 Ų6379.8 Ų79.841%0.40942%0.416SS..SBendcis-78.8148.40.132.8-36000113.2S116 L117P39-S116 VanDerWaalsContact CA-OG 3.22Å; P39-S116 WeakPolarHBondContact CA-OG 3.38Å; P39-S116 WeakPolarHBondContact CB-OG 3.36Å; P39-L117 HydrophobicContact CB-CB 4.4Å; P39-L117 HydrophobicContact CB-CD1 4.42Å; P39-L117 HydrophobicContact CG-CD1 4.13Å
40R94.7Very high95.9Very high83 Ų8383.5 Ų83.531%0.31344%0.435SS..PPolyproline II helixtrans-98.5144.4173.1-58.2-61.1-87.8178.3-8.1110.7W33 D37 L38 W42 L70 N115 S116W33-R40 HydrophobicContact CG-CG 4.4Å; D37-R40 WeakPolarHBondContact O-CD 3.03Å; L38-R40 HydrophobicContact CD2-CG 3.8Å; R40-W42 WeakPolarHBondContact O-CZ3 3.4Å; R40-L70 HydrophobicContact CB-CD1 4.36Å; R40-N115 CarbonylContact O-C 3.58Å; R40-N115 WeakPolarHBondContact O-CA 3.39Å; R40-N115 WeakPolarHBondContact O-CB 3.42Å; R40-S116 PolarHBondContact N-OG 3.17Å; R40-S116 PolarHBondContact O-N 3.22Å
41Q96.1Very high95.5Very high171 Ų17179.6 Ų79.680%0.79943%0.426SS*.BIsolated β-bridgetrans-101.9154.6169.2-64-176.3-22.800110.2V114 N115Q41-V114 WeakPolarHBondContact CA-O 3.24Å; Q41-N115 HydrophobicContact CG-CB 3.99Å
42W95.9Very high95.2Very high31 Ų3177.6 Ų77.612%0.11743%0.429CS..  trans-142.9156.917350.980.9000111.4R40 L59 L70 L72 K74 L113 V114 N115 S116R40-W42 WeakPolarHBondContact O-CZ3 3.4Å; W42-L59 HydrophobicContact CH2-CD1 3.92Å; W42-L59 HydrophobicContact CH2-CD2 3.66Å; W42-L59 HydrophobicContact CH2-CG 4.42Å; W42-L59 HydrophobicContact CZ2-CD2 4.42Å; W42-L59 HydrophobicContact CZ3-CD1 4.42Å; W42-L70 HydrophobicContact CZ3-CD1 4.08Å; W42-L72 HydrophobicContact CD2-CD2 3.72Å; W42-L72 VanDerWaalsContact CE2-CD2 3.47Å; W42-L72 HydrophobicContact CE3-CD2 4.48Å; W42-L72 HydrophobicContact CG-CD2 3.79Å; W42-L72 HydrophobicContact CH2-CD1 4.41Å; W42-L72 HydrophobicContact CZ2-CD1 3.75Å; W42-L72 HydrophobicContact CZ2-CD2 4.04Å; W42-K74 VanDerWaalsContact NE1-CE 3.31Å; W42-L113 HydrophobicContact CZ2-CD2 4.06Å; W42-L113 HydrophobicContact CZ2-CG 3.96Å; W42-L113 PolarHBondContact NE1-O 2.88Å; W42-V114 VanDerWaalsContact CE2-C 3.43Å; W42-V114 PolarHBondContact N-O 3.26Å; W42-N115 VanDerWaalsContact CH2-CA 3.47Å; W42-N115 VanDerWaalsContact CH2-O 3.24Å; W42-N115 WeakPolarHBondContact CH2-O 3.44Å; W42-N115 VanDerWaalsContact CZ3-C 3.47Å; W42-S116 VanDerWaalsContact CH2-N 3.32Å
43T97.3Very high95.1Very high140 Ų14075.8 Ų75.886%0.85942%0.416SS*.  trans-110.5108.1175.6-52.30000108.9
44P97.5Very high95.2Very high27 Ų2772.7 Ų72.718%0.17541%0.405CS..  trans-74.7158.1178.430.4-31.1000111.1Q25 K74 V114Q25-P44 HydrophobicContact CB-CB 3.92Å; Q25-P44 HydrophobicContact CB-CG 4.11Å; Q25-P44 HydrophobicContact CG-CB 4.32Å; Q25-P44 HydrophobicContact CG-CG 3.97Å; Q25-P44 VanDerWaalsContact OE1-CG 3.31Å; P44-K74 HydrophobicContact CB-CD 3.96Å; P44-V114 HydrophobicContact CG-CG1 4.46Å
45K98.1Very high95.3Very high155 Ų15566.4 Ų66.467%0.67438%0.378SS*.EExtended strand (participates in β ladder)trans-85.1177.3163.2-62.9-178.1-178.7179.60109.1Q25 F26Q25-K45 CarbonylContact C-O 3.47Å; Q25-K45 WeakPolarHBondContact CA-O 3.4Å; F26-K45 PolarHBondContact N-O 2.76Å; F26-K45 PolarHBondContact O-N 3.23Å
46N97.9Very high95.6Very high104 Ų10467.5 Ų67.556%0.55638%0.38SS*.EExtended strand (participates in β ladder)trans-115.6149.7174.7-65.3-6.7000109.8C24 F109C24-N46 CarbonylContact O-C 3.55Å; C24-N46 WeakPolarHBondContact O-CA 3.04Å; N46-F109 HydrophobicContact CB-CE1 3.8Å; N46-F109 HydrophobicContact CB-CZ 4.44Å; N46-F109 VanDerWaalsContact CG-CE1 3.4Å; N46-F109 WeakPolarHBondContact ND2-CE1 3.31Å
47T97.7Very high95.8Very high46 Ų4662.8 Ų62.828%0.28235%0.348SS..EExtended strand (participates in β ladder)trans-140.6152.3173.8-167.60000110.5L23 C24 F26L23-T47 CarbonylContact C-O 3.58Å; L23-T47 WeakPolarHBondContact CA-O 3.41Å; C24-T47 HydrophobicContact CB-CG2 4.22Å; C24-T47 PolarHBondContact N-O 3.26Å; C24-T47 PolarHBondContact O-N 3.22Å; F26-T47 HydrophobicContact CB-CG2 3.83Å; F26-T47 HydrophobicContact CD2-CG2 4.36Å; F26-T47 HydrophobicContact CG-CG2 4.39Å
48S97.4Very high96Very high73 Ų7361.1 Ų61.151%0.5134%0.34SS..EExtended strand (participates in β ladder)trans-88.4140.5164.6-173.50000108.7
49C96.2Very high96.3Very high2 Ų260.4 Ų60.41%0.01434%0.336CS..  trans-106.8147.2177.5-60.80000111.4A21 L22 C24 L53 C76A21-C49 WeakPolarHBondContact CB-O 3.47Å; L22-C49 WeakPolarHBondContact O-CB 3.38Å; L22-C49 PolarHBondContact O-N 2.79Å; C24-C49 PolarHBondContact SG-SG 2.83Å; C49-L53 HydrophobicContact CB-CB 4.08Å; C49-C76 WeakPolarHBondContact CA-SG 3.32Å; C49-C76 HydrophobicContact CB-CB 3.79Å; C49-C76 WeakPolarHBondContact CB-SG 3.33Å; C49-C76 WeakPolarHBondContact SG-CB 3.34Å; C49-C76 CovalentContact SG-SG 2.03Å; C49-C76 PolarHBondContact SG-SG 2.93Å
50D94.6Very high96.4Very high127 Ų12760.8 Ų60.868%0.67933%0.333SS*.  trans-61.5151.3173.2-65-24.9000111G52 L53D50-G52 PolarHBondContact O-N 3.22Å; D50-L53 HydrophobicContact CB-CD1 3.91Å; D50-L53 HydrophobicContact CB-CG 4.28Å; D50-L53 WeakPolarHBondContact O-CB 3.4Å; D50-L53 PolarHBondContact O-N 2.84Å; D50-L53 VanDerWaalsContact O-N 3.08Å
51S90.6Very high96.4Very high85 Ų8556.8 Ų56.859%0.59432%0.318SS*.THydrogen-bonded Turntrans-53.4125.1179.9-66.60000111.5V19V19-S51 PolarHBondContact O-OG 2.8Å
52G89.4Confident96.3Very high46 Ų4651.6 Ų51.647%0.47430%0.295SS..THydrogen-bonded Turntrans97.3-14.5178.400000114.5V19 D50 R105V19-G52 VanDerWaalsContact CG1-N 3.32Å; D50-G52 PolarHBondContact O-N 3.22Å; G52-R105 PolarHBondContact O-NE 3.17Å
53L96.1Very high96.2Very high38 Ų3851.1 Ų51.120%0.19929%0.294CS..  trans-75.5152.6171.7-59.4-176.2000111.4C49 D50 C76 T77 E78C49-L53 HydrophobicContact CB-CB 4.08Å; D50-L53 HydrophobicContact CB-CD1 3.91Å; D50-L53 HydrophobicContact CB-CG 4.28Å; D50-L53 WeakPolarHBondContact O-CB 3.4Å; D50-L53 PolarHBondContact O-N 2.84Å; D50-L53 VanDerWaalsContact O-N 3.08Å; L53-C76 HydrophobicContact CB-CB 4.33Å; L53-C76 HydrophobicContact CD1-CB 3.89Å; L53-T77 WeakPolarHBondContact CA-O 3.04Å; L53-E78 HydrophobicContact CD2-CB 4.27Å; L53-E78 HydrophobicContact CD2-CG 3.36Å
54G96.8Very high95.9Very high0 Ų047.8 Ų47.80%028%0.277CS..EExtended strand (participates in β ladder)trans-110.9177.217100000112.5C76 T77 C104G54-C76 CarbonylContact O-C 3.51Å; G54-C76 VanDerWaalsContact O-CA 3.24Å; G54-C76 WeakPolarHBondContact O-CA 3.3Å; G54-T77 PolarHBondContact N-O 2.79Å; G54-T77 PolarHBondContact O-N 3.1Å; G54-C104 CarbonylContact C-O 3.46Å; G54-C104 WeakPolarHBondContact CA-O 3.42Å
55C98.4Very high95.6Very high0 Ų049.4 Ų49.40%030%0.298CS..EExtended strand (participates in β ladder)trans-91.7146.4171.5-50.40000111.1L22 C24 G75 V103 C104 N111L22-C55 WeakPolarHBondContact CD2-SG 3.42Å; C24-C55 VanDerWaalsContact CA-SG 3.5Å; C24-C55 HydrophobicContact CB-CB 3.73Å; C24-C55 WeakPolarHBondContact CB-SG 3.45Å; C24-C55 WeakPolarHBondContact SG-CA 3.48Å; C24-C55 WeakPolarHBondContact SG-CB 3.34Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 2.02Å; C55-G75 CarbonylContact C-O 3.42Å; C55-G75 WeakPolarHBondContact CA-O 3.15Å; C55-V103 WeakPolarHBondContact O-CA 3.24Å; C55-C104 PolarHBondContact N-O 2.76Å; C55-C104 PolarHBondContact O-N 2.89Å; C55-N111 HydrophobicContact CB-CB 3.59Å; C55-N111 VanDerWaalsContact CB-CG 3.44Å; C55-N111 WeakPolarHBondContact CB-OD1 3.38Å
56Q98.4Very high95.3Very high56 Ų5646.9 Ų46.926%0.26230%0.297SS..EExtended strand (participates in β ladder)trans-128.7142.5176.4178.9173400111.6T58 K74 G75 T77 F102 V103 N111Q56-T58 PolarHBondContact NE2-OG1 2.82Å; Q56-K74 WeakPolarHBondContact O-CA 3.3Å; Q56-G75 PolarHBondContact N-O 2.9Å; Q56-G75 PolarHBondContact O-N 2.92Å; Q56-T77 HydrophobicContact CB-CG2 3.74Å; Q56-T77 PolarHBondContact OE1-OG1 2.78Å; Q56-T77 VanDerWaalsContact OE1-OG1 3.07Å; Q56-F102 WeakPolarHBondContact CA-O 3.34Å; Q56-V103 HydrophobicContact CB-CG2 4.41Å; Q56-V103 HydrophobicContact CG-CG2 4.2Å; Q56-N111 PolarHBondContact O-ND2 2.88Å
57D98.3Very high95.2Very high0 Ų047.3 Ų47.30%030%0.296CS..EExtended strand (participates in β ladder)trans-117.2131.6159.6-79.1-21000110.3K74 Y100 T101 F102 N111 N112 L113D57-K74 WeakPolarHBondContact OD1-CG 3.39Å; D57-K74 IonicContact OD1-NZ 3.17Å; D57-K74 PolarHBondContact OD1-NZ 3.43Å; D57-K74 IonicContact OD2-NZ 2.66Å; D57-K74 PolarHBondContact OD2-NZ 3.22Å; D57-K74 VanDerWaalsContact OD2-NZ 3.17Å; D57-Y100 HydrophobicContact CB-CD1 4.46Å; D57-Y100 HydrophobicContact CB-CE1 3.92Å; D57-T101 WeakPolarHBondContact O-CA 3.22Å; D57-F102 HydrophobicContact CB-CB 4.36Å; D57-F102 PolarHBondContact N-O 2.74Å; D57-F102 PolarHBondContact O-N 2.89Å; D57-N111 WeakPolarHBondContact OD1-CB 3.45Å; D57-N111 PolarHBondContact OD1-ND2 2.76Å; D57-N111 WeakPolarHBondContact OD2-CA 3.48Å; D57-N111 VanDerWaalsContact OD2-O 3.1Å; D57-N112 PolarHBondContact OD2-N 3.05Å; D57-L113 HydrophobicContact CB-CB 4.31Å; D57-L113 WeakPolarHBondContact OD2-CB 3.36Å; D57-L113 PolarHBondContact OD2-N 2.91Å
58T97.9Very high95.1Very high21 Ų2145.1 Ų45.113%0.12928%0.283CS..EExtended strand (participates in β ladder)trans-136.5121170.5-62.30000109.3Q56 M60 L72 S73 Y100 T101Q56-T58 PolarHBondContact NE2-OG1 2.82Å; T58-M60 HydrophobicContact CG2-CE 4.15Å; T58-L72 CarbonylContact O-C 3.49Å; T58-L72 WeakPolarHBondContact O-CA 3.46Å; T58-S73 PolarHBondContact N-O 2.8Å; T58-S73 PolarHBondContact O-N 3.02Å; T58-Y100 WeakPolarHBondContact CA-O 3.46Å; T58-T101 HydrophobicContact CG2-CG2 4.47Å
59L97.9Very high95Very high0 Ų043 Ų430%027%0.268CS..EExtended strand (participates in β ladder)trans-126.1136.6175.9-179.767.9000109W42 L70 V71 L72 S99 Y100 L113 L119W42-L59 HydrophobicContact CH2-CD1 3.92Å; W42-L59 HydrophobicContact CH2-CD2 3.66Å; W42-L59 HydrophobicContact CH2-CG 4.42Å; W42-L59 HydrophobicContact CZ2-CD2 4.42Å; W42-L59 HydrophobicContact CZ3-CD1 4.42Å; L59-L70 HydrophobicContact CD1-CD1 4.25Å; L59-L70 HydrophobicContact CD1-CD2 3.71Å; L59-L70 HydrophobicContact CD1-CG 3.76Å; L59-V71 CarbonylContact C-O 3.58Å; L59-V71 VanDerWaalsContact CA-O 3.32Å; L59-V71 WeakPolarHBondContact CA-O 3.34Å; L59-L72 HydrophobicContact CB-CD1 4.21Å; L59-L72 HydrophobicContact CD1-CB 4.05Å; L59-L72 HydrophobicContact CD1-CD1 4.03Å; L59-S99 CarbonylContact O-C 3.54Å; L59-S99 VanDerWaalsContact O-CA 3.24Å; L59-S99 WeakPolarHBondContact O-CA 3.38Å; L59-Y100 PolarHBondContact N-O 2.69Å; L59-Y100 PolarHBondContact O-N 2.93Å; L59-L113 HydrophobicContact CB-CD2 3.97Å; L59-L113 HydrophobicContact CD2-CD2 4.05Å; L59-L119 HydrophobicContact CB-CD2 4.17Å; L59-L119 HydrophobicContact CD2-CD1 3.68Å; L59-L119 HydrophobicContact CD2-CD2 3.79Å; L59-L119 HydrophobicContact CD2-CG 4.27Å; L59-L119 HydrophobicContact CG-CD1 4.45Å; L59-L119 HydrophobicContact CG-CD2 3.78Å
60M96.5Very high95.1Very high71 Ų7143 Ų4335%0.3527%0.268SS..EExtended strand (participates in β ladder)trans-130134.1172.6-60.4-178.5-178.600109.6T58 L70 V71 L97 I98T58-M60 HydrophobicContact CG2-CE 4.15Å; M60-L70 WeakPolarHBondContact O-CA 3.24Å; M60-V71 HydrophobicContact CB-CB 4.3Å; M60-V71 PolarHBondContact N-O 3.43Å; M60-V71 PolarHBondContact O-N 2.66Å; M60-L97 HydrophobicContact CB-CD1 3.95Å; M60-L97 HydrophobicContact CG-CD1 4.36Å; M60-I98 CarbonylContact C-O 3.51Å; M60-I98 WeakPolarHBondContact CA-O 3.43Å
61L95.5Very high95.2Very high0 Ų039.2 Ų39.20%025%0.249CC..EExtended strand (participates in β ladder)trans-112.6116.3168.2-61.1-176.8000108L38 V68 S69 L70 L97 I98 L119L38-L61 HydrophobicContact CD1-CD1 3.93Å; L38-L61 HydrophobicContact CD1-CD2 4.45Å; L61-V68 HydrophobicContact CB-CG2 3.93Å; L61-V68 HydrophobicContact CD2-CG2 4.09Å; L61-V68 HydrophobicContact CG-CG2 4.49Å; L61-S69 WeakPolarHBondContact CA-O 3.01Å; L61-L70 HydrophobicContact CD2-CB 4Å; L61-L70 HydrophobicContact CD2-CD1 3.88Å; L61-L70 HydrophobicContact CD2-CG 3.81Å; L61-L97 CarbonylContact O-C 3.57Å; L61-L97 VanDerWaalsContact O-CA 3.31Å; L61-L97 WeakPolarHBondContact O-CA 3.32Å; L61-I98 PolarHBondContact N-O 2.87Å; L61-I98 PolarHBondContact O-N 2.87Å; L61-L119 HydrophobicContact CD1-CB 3.65Å; L61-L119 HydrophobicContact CD1-CD2 4.39Å; L61-L119 HydrophobicContact CG-CB 4.21Å; L61-L119 HydrophobicContact CG-CD2 4.03Å
62I94.4Very high95.6Very high62 Ų6235.4 Ų35.432%0.31822%0.222SC..EExtended strand (participates in β ladder)trans-108.7106.9174.8-55.4158.9000107.2V68 S69 L95 S96 L97I62-V68 CarbonylContact O-C 3.58Å; I62-V68 VanDerWaalsContact O-CA 3.32Å; I62-V68 WeakPolarHBondContact O-CA 3.34Å; I62-S69 PolarHBondContact N-O 3.5Å; I62-S69 PolarHBondContact O-N 2.02Å; I62-L95 HydrophobicContact CG2-CD2 4.09Å; I62-S96 CarbonylContact C-O 3.53Å; I62-S96 WeakPolarHBondContact CA-O 3.25Å; I62-L97 HydrophobicContact CG1-CD1 3.66Å
63E92.8Very high96Very high20 Ų2035.9 Ų35.99%0.09322%0.218CC..EExtended strand (participates in β ladder)trans-96.5134.7-177.4-56.9176.5160.300110.4Q67 V68 L95 S96E63-Q67 WeakPolarHBondContact CA-O 3.01Å; E63-V68 HydrophobicContact CG-CB 4.19Å; E63-V68 HydrophobicContact CG-CG2 3.81Å; E63-L95 WeakPolarHBondContact O-CA 3.24Å; E63-S96 WeakPolarHBondContact CB-OG 3.26Å; E63-S96 PolarHBondContact N-O 3.17Å; E63-S96 PolarHBondContact O-N 3.11Å; E63-S96 PolarHBondContact OE2-OG 3.43Å
64S92.4Very high96.1Very high71 Ų7134.2 Ų34.250%0.49721%0.209SC..EExtended strand (participates in β ladder)trans-143.4105.1171.8-169.20000109.3Q67S64-Q67 PolarHBondContact N-O 2.89Å; S64-Q67 PolarHBondContact O-N 2.82Å; S64-Q67 VanDerWaalsContact O-N 3.16Å
65G90.2Very high96.2Very high61 Ų6134.6 Ų34.663%0.62921%0.213SC*.THydrogen-bonded Turntrans58.1-126.5-174.700000112Q67G65-Q67 VanDerWaalsContact C-N 3.26Å; G65-Q67 PolarHBondContact O-N 2.98Å
66P92.8Very high96.2Very high101 Ų10136.9 Ų36.966%0.65623%0.229SC*.THydrogen-bonded Turntrans-82.61.8-17935.1-35.5000113.9K34 V35K34-P66 WeakPolarHBondContact CA-O 3.35Å; V35-P66 PolarHBondContact N-O 2.87Å
67Q95.3Very high96.1Very high114 Ų11435.1 Ų35.153%0.53322%0.222SC..EExtended strand (participates in β ladder)trans-111.1149.5-177.3-63-176.45.100111.5V32 W33 E63 S64 G65V32-Q67 HydrophobicContact CG1-CB 4.15Å; W33-Q67 WeakPolarHBondContact O-CA 3.44Å; E63-Q67 WeakPolarHBondContact CA-O 3.01Å; S64-Q67 PolarHBondContact N-O 2.89Å; S64-Q67 PolarHBondContact O-N 2.82Å; S64-Q67 VanDerWaalsContact O-N 3.16Å; G65-Q67 VanDerWaalsContact C-N 3.26Å; G65-Q67 PolarHBondContact O-N 2.98Å
68V95.4Very high96.1Very high0 Ų043.3 Ų43.30%026%0.26CS..EExtended strand (participates in β ladder)trans-136.3124.6173.559.90000110V32 W33 V35 L38 L61 I62 E63V32-V68 WeakPolarHBondContact CA-O 3.34Å; W33-V68 HydrophobicContact CB-CG1 4.06Å; W33-V68 PolarHBondContact N-O 2.99Å; W33-V68 PolarHBondContact O-N 2.98Å; V35-V68 HydrophobicContact CG2-CB 4.19Å; V35-V68 HydrophobicContact CG2-CG1 4.4Å; L38-V68 HydrophobicContact CD1-CB 4.43Å; L38-V68 HydrophobicContact CD1-CG1 3.8Å; L38-V68 HydrophobicContact CD1-CG2 4.16Å; L38-V68 HydrophobicContact CD2-CG1 4.15Å; L38-V68 HydrophobicContact CG-CG1 3.91Å; L61-V68 HydrophobicContact CB-CG2 3.93Å; L61-V68 HydrophobicContact CD2-CG2 4.09Å; L61-V68 HydrophobicContact CG-CG2 4.49Å; I62-V68 CarbonylContact O-C 3.58Å; I62-V68 VanDerWaalsContact O-CA 3.32Å; I62-V68 WeakPolarHBondContact O-CA 3.34Å; E63-V68 HydrophobicContact CG-CB 4.19Å; E63-V68 HydrophobicContact CG-CG2 3.81Å
69S96.3Very high96Very high28 Ų2844.4 Ų44.420%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-84.8119.8168-178.70000108.8L61 I62L61-S69 WeakPolarHBondContact CA-O 3.01Å; I62-S69 PolarHBondContact N-O 3.5Å; I62-S69 PolarHBondContact O-N 2.02Å
70L96.8Very high96Very high2 Ų253.1 Ų53.11%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-99.4121.3173.4-172.7154.7000108.8V29 Q30 H31 R40 W42 L59 M60 L61 L72V29-L70 HydrophobicContact CB-CD2 4.14Å; V29-L70 HydrophobicContact CG1-CD2 3.9Å; Q30-L70 WeakPolarHBondContact CA-O 3.39Å; H31-L70 PolarHBondContact N-O 2.86Å; H31-L70 VanDerWaalsContact N-O 3.09Å; H31-L70 PolarHBondContact O-N 3.48Å; R40-L70 HydrophobicContact CB-CD1 4.36Å; W42-L70 HydrophobicContact CZ3-CD1 4.08Å; L59-L70 HydrophobicContact CD1-CD1 4.25Å; L59-L70 HydrophobicContact CD1-CD2 3.71Å; L59-L70 HydrophobicContact CD1-CG 3.76Å; M60-L70 WeakPolarHBondContact O-CA 3.24Å; L61-L70 HydrophobicContact CD2-CB 4Å; L61-L70 HydrophobicContact CD2-CD1 3.88Å; L61-L70 HydrophobicContact CD2-CG 3.81Å; L70-L72 HydrophobicContact CD2-CB 4.09Å
71V97.8Very high96Very high47 Ų4753.4 Ų53.429%0.28531%0.312SS..EExtended strand (participates in β ladder)trans-118.8115.3173.6-175.30000108.6V29 Q30 L59 M60V29-V71 CarbonylContact O-C 3.58Å; V29-V71 VanDerWaalsContact O-CA 3.3Å; V29-V71 WeakPolarHBondContact O-CA 2.99Å; Q30-V71 HydrophobicContact CG-CG2 4.49Å; L59-V71 CarbonylContact C-O 3.58Å; L59-V71 VanDerWaalsContact CA-O 3.32Å; L59-V71 WeakPolarHBondContact CA-O 3.34Å; M60-V71 HydrophobicContact CB-CB 4.3Å; M60-V71 PolarHBondContact N-O 3.43Å; M60-V71 PolarHBondContact O-N 2.66Å
72L98.1Very high96.1Very high5 Ų556.9 Ų56.93%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-116.1136.6175.9179.173.5000109.1T28 V29 W42 T58 L59 L70 K74T28-L72 CarbonylContact C-O 3.53Å; T28-L72 VanDerWaalsContact CA-O 3.24Å; T28-L72 WeakPolarHBondContact CA-O 3.49Å; V29-L72 HydrophobicContact CB-CB 3.9Å; V29-L72 HydrophobicContact CB-CD2 4.41Å; V29-L72 HydrophobicContact CG2-CB 4.34Å; V29-L72 HydrophobicContact CG2-CD2 3.94Å; V29-L72 PolarHBondContact N-O 3.49Å; V29-L72 PolarHBondContact O-N 2.85Å; W42-L72 HydrophobicContact CD2-CD2 3.72Å; W42-L72 VanDerWaalsContact CE2-CD2 3.47Å; W42-L72 HydrophobicContact CE3-CD2 4.48Å; W42-L72 HydrophobicContact CG-CD2 3.79Å; W42-L72 HydrophobicContact CH2-CD1 4.41Å; W42-L72 HydrophobicContact CZ2-CD1 3.75Å; W42-L72 HydrophobicContact CZ2-CD2 4.04Å; T58-L72 CarbonylContact O-C 3.49Å; T58-L72 WeakPolarHBondContact O-CA 3.46Å; L59-L72 HydrophobicContact CB-CD1 4.21Å; L59-L72 HydrophobicContact CD1-CB 4.05Å; L59-L72 HydrophobicContact CD1-CD1 4.03Å; L70-L72 HydrophobicContact CD2-CB 4.09Å; L72-K74 HydrophobicContact CD1-CG 4.05Å; L72-K74 HydrophobicContact CD2-CD 4.15Å; L72-K74 HydrophobicContact CD2-CG 4.25Å; L72-K74 HydrophobicContact CG-CG 4.07Å
73S98.2Very high96.2Very high56 Ų5661.3 Ų61.339%0.39235%0.347SS..EExtended strand (participates in β ladder)trans-134133.1165.1-173.70000109.4T58T58-S73 PolarHBondContact N-O 2.8Å; T58-S73 PolarHBondContact O-N 3.02Å
74K98.4Very high96.4Very high4 Ų463.5 Ų63.52%0.01736%0.363CS..EExtended strand (participates in β ladder)trans-134.8140.1176-54.4179.9148.4-820109.4Q25 F26 G27 W42 P44 Q56 D57 L72 N111 L113Q25-K74 HydrophobicContact CB-CD 4.35Å; Q25-K74 CarbonylContact O-C 3.55Å; Q25-K74 VanDerWaalsContact OE1-NZ 3.09Å; F26-K74 WeakPolarHBondContact CA-O 3.44Å; F26-K74 WeakPolarHBondContact CD2-O 3.38Å; G27-K74 PolarHBondContact N-O 2.83Å; G27-K74 PolarHBondContact O-N 3.11Å; W42-K74 VanDerWaalsContact NE1-CE 3.31Å; P44-K74 HydrophobicContact CB-CD 3.96Å; Q56-K74 WeakPolarHBondContact O-CA 3.3Å; D57-K74 WeakPolarHBondContact OD1-CG 3.39Å; D57-K74 IonicContact OD1-NZ 3.17Å; D57-K74 PolarHBondContact OD1-NZ 3.43Å; D57-K74 IonicContact OD2-NZ 2.66Å; D57-K74 PolarHBondContact OD2-NZ 3.22Å; D57-K74 VanDerWaalsContact OD2-NZ 3.17Å; L72-K74 HydrophobicContact CD1-CG 4.05Å; L72-K74 HydrophobicContact CD2-CD 4.15Å; L72-K74 HydrophobicContact CD2-CG 4.25Å; L72-K74 HydrophobicContact CG-CG 4.07Å; K74-N111 PolarHBondContact NZ-O 2.82Å; K74-L113 WeakPolarHBondContact CE-O 3.34Å; K74-L113 PolarHBondContact NZ-O 3.21Å
75G98.3Very high96.5Very high8 Ų867.1 Ų67.18%0.08237%0.366CS..EExtended strand (participates in β ladder)trans162.5-161.1173.600000114.1Q25 C55 Q56Q25-G75 WeakPolarHBondContact O-CA 3.37Å; Q25-G75 PolarHBondContact O-N 3.44Å; C55-G75 CarbonylContact C-O 3.42Å; C55-G75 WeakPolarHBondContact CA-O 3.15Å; Q56-G75 PolarHBondContact N-O 2.9Å; Q56-G75 PolarHBondContact O-N 2.92Å
76C98.1Very high96.8Very high48 Ų4867.5 Ų67.532%0.32436%0.356SS..EExtended strand (participates in β ladder)trans-75.9146.4176.6-48.80000111.1C49 L53 G54C49-C76 WeakPolarHBondContact CA-SG 3.32Å; C49-C76 HydrophobicContact CB-CB 3.79Å; C49-C76 WeakPolarHBondContact CB-SG 3.33Å; C49-C76 WeakPolarHBondContact SG-CB 3.34Å; C49-C76 CovalentContact SG-SG 2.03Å; C49-C76 PolarHBondContact SG-SG 2.93Å; L53-C76 HydrophobicContact CB-CB 4.33Å; L53-C76 HydrophobicContact CD1-CB 3.89Å; G54-C76 CarbonylContact O-C 3.51Å; G54-C76 VanDerWaalsContact O-CA 3.24Å; G54-C76 WeakPolarHBondContact O-CA 3.3Å
77T97.7Very high96.9Very high19 Ų1964.1 Ų64.112%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-147.8149.3-179.6-165.80000112.8L53 G54 Q56 A79 V103 R105L53-T77 WeakPolarHBondContact CA-O 3.04Å; G54-T77 PolarHBondContact N-O 2.79Å; G54-T77 PolarHBondContact O-N 3.1Å; Q56-T77 HydrophobicContact CB-CG2 3.74Å; Q56-T77 PolarHBondContact OE1-OG1 2.78Å; Q56-T77 VanDerWaalsContact OE1-OG1 3.07Å; T77-A79 HydrophobicContact CG2-CB 4.1Å; T77-A79 WeakPolarHBondContact OG1-CB 3.39Å; T77-A79 PolarHBondContact OG1-N 2.98Å; T77-V103 HydrophobicContact CG2-CG1 3.64Å; T77-V103 HydrophobicContact CG2-CG2 4.43Å; T77-R105 PolarHBondContact O-NH2 2.9Å
78E97.1Very high96.7Very high171 Ų17164.3 Ų64.380%0.79933%0.334SS*.  trans-84.2-13.8168.2-68.2-179.2177.400112.2L53 R105L53-E78 HydrophobicContact CD2-CB 4.27Å; L53-E78 HydrophobicContact CD2-CG 3.36Å; E78-R105 PolarHBondContact O-NH2 2.92Å
79A97.1Very high96.3Very high44 Ų4468.3 Ų68.336%0.36435%0.353SS..SBendtrans-58143.6-177.400000111.4T77 V103 R105T77-A79 HydrophobicContact CG2-CB 4.1Å; T77-A79 WeakPolarHBondContact OG1-CB 3.39Å; T77-A79 PolarHBondContact OG1-N 2.98Å; A79-V103 HydrophobicContact CB-CG1 4.48Å; A79-V103 HydrophobicContact CB-CG2 4.28Å; A79-V103 WeakPolarHBondContact O-CG1 3.06Å; A79-R105 PolarHBondContact O-NH1 3.39Å; A79-R105 PolarHBondContact O-NH2 2.98Å
80K96.3Very high95.6Very high184 Ų18475.6 Ų75.680%0.838%0.376SS*.PPolyproline II helixtrans-63.9154.1178.2-67.4-177173.9-179.90111.2Q82 V103K80-Q82 PolarHBondContact O-N 3.09Å; K80-V103 WeakPolarHBondContact O-CB 3.49Å; K80-V103 WeakPolarHBondContact O-CG1 3.38Å
81D97.3Very high94.8Very high77 Ų7781.2 Ų81.241%0.41240%0.404SS..PPolyproline II helixtrans-52.3137.3174-66.5-10.3000110.4V103 R105 Q106D81-V103 WeakPolarHBondContact CA-O 3.3Å; D81-R105 WeakPolarHBondContact OD1-CD 3.12Å; D81-R105 VanDerWaalsContact OD1-CG 3.3Å; D81-R105 WeakPolarHBondContact OD1-CG 3.39Å; D81-R105 IonicContact OD1-CZ 3.7Å; D81-R105 IonicContact OD1-NE 3.96Å; D81-R105 IonicContact OD1-NH1 2.69Å; D81-R105 PolarHBondContact OD1-NH1 2.83Å; D81-Q106 PolarHBondContact OD2-NE2 2.75Å
82Q97.6Very high93.8Very high72 Ų7281.7 Ų81.734%0.33642%0.418SS..EExtended strand (participates in β ladder)trans-147.9123.3-175.8-173.3-158.8-43.200108.1K80 T101 F102 V103K80-Q82 PolarHBondContact O-N 3.09Å; Q82-T101 PolarHBondContact NE2-OG1 2.9Å; Q82-F102 WeakPolarHBondContact O-CD2 2.84Å; Q82-V103 HydrophobicContact CB-CB 4.18Å; Q82-V103 HydrophobicContact CB-CG2 4.44Å; Q82-V103 PolarHBondContact N-O 2.83Å; Q82-V103 PolarHBondContact O-N 2.77Å; Q82-V103 VanDerWaalsContact O-N 3.1Å
83E96.6Very high92.8Very high155 Ų15588.2 Ų88.272%0.72446%0.461SS*.EExtended strand (participates in β ladder)trans-54.3150.3171.4-68.4-58.7144.300111.9R85E83-R85 PolarHBondContact O-N 3.17Å
84P96.3Very high92Very high66 Ų6688.3 Ų88.343%0.42947%0.471SS..EExtended strand (participates in β ladder)trans-53.6124.4178.4-24.233.1000111.1Y100 F102P84-Y100 HydrophobicContact CB-CE2 3.86Å; P84-F102 HydrophobicContact CB-CB 4.48Å; P84-F102 HydrophobicContact CB-CD2 4.23Å; P84-F102 HydrophobicContact CB-CG 4.48Å; P84-F102 VanDerWaalsContact CD-CD2 3.45Å; P84-F102 HydrophobicContact CG-CD2 3.49Å; P84-F102 VanDerWaalsContact CG-CD2 3.49Å; P84-F102 HydrophobicContact CG-CE2 3.76Å; P84-F102 HydrophobicContact CG-CG 3.99Å; P84-F102 HydrophobicContact CG-CZ 4.42Å
85R96Very high91.6Very high147 Ų14790.9 Ų90.956%0.55548%0.484SS*.EExtended strand (participates in β ladder)trans-129.7125.8-178-178.1179.5173.1167.52.6110.6E83 T87 Y100 T101E83-R85 PolarHBondContact O-N 3.17Å; R85-T87 PolarHBondContact NE-OG1 2.94Å; R85-Y100 CarbonylContact O-C 3.6Å; R85-Y100 VanDerWaalsContact O-CA 3.26Å; R85-Y100 WeakPolarHBondContact O-CA 3.08Å; R85-T101 PolarHBondContact N-O 2.88Å; R85-T101 PolarHBondContact O-N 2.82Å
86V95.5Very high91.2Very high70 Ų7091.8 Ų91.842%0.42449%0.49SS..EExtended strand (participates in β ladder)trans-98.3131.8165.8-178.70000108.6I98 S99 Y100V86-I98 HydrophobicContact CG1-CG2 3.64Å; V86-S99 CarbonylContact C-O 3.55Å; V86-S99 VanDerWaalsContact CA-O 3.25Å; V86-S99 WeakPolarHBondContact CA-O 3.45Å; V86-Y100 HydrophobicContact CG2-CD2 3.91Å
87T94Very high90.9Very high29 Ų2991.2 Ų91.218%0.17848%0.483CS..EExtended strand (participates in β ladder)trans-128.3127.6176.7-50.60000109.4R85 H89 I98 S99R85-T87 PolarHBondContact NE-OG1 2.94Å; T87-H89 VanDerWaalsContact CG2-NE2 3.32Å; T87-H89 WeakPolarHBondContact CG2-NE2 3.32Å; T87-I98 WeakPolarHBondContact O-CA 3.44Å; T87-S99 PolarHBondContact N-O 2.8Å; T87-S99 PolarHBondContact O-N 2.95Å; T87-S99 PolarHBondContact O-OG 3.17Å
88E91.8Very high90.8Very high118 Ų11891.1 Ų91.155%0.55148%0.481SS*.EExtended strand (participates in β ladder)trans-97135173.9-62.9-174-16600110.5I98E88-I98 HydrophobicContact CG-CD1 4.43Å; E88-I98 HydrophobicContact CG-CG1 4.19Å; E88-I98 HydrophobicContact CG-CG2 4.42Å
89H87.8Confident90.7Very high85 Ų8583.4 Ų83.439%0.39445%0.447SS..EExtended strand (participates in β ladder)trans-126113.4175.7-60-86.4000108.3T87 L97T87-H89 VanDerWaalsContact CG2-NE2 3.32Å; T87-H89 WeakPolarHBondContact CG2-NE2 3.32Å; H89-L97 HydrophobicContact CB-CB 4.06Å; H89-L97 HydrophobicContact CB-CD2 4.07Å; H89-L97 HydrophobicContact CB-CG 4.2Å; H89-L97 PolarHBondContact N-O 3.41Å; H89-L97 PolarHBondContact O-N 2.92Å
90R80.2Confident90.7Very high181 Ų18182.4 Ų82.468%0.68343%0.434SS*.EExtended strand (participates in β ladder)trans-101.1123.9175.8-66.7-173.2-176.7-141.9-0.7109.9
91M80.3Confident90.8Very high120 Ų12075.1 Ų75.159%0.59141%0.405SS*.  trans-114.565.3179.3-64.4-169.5-58.800110.5L95M91-L95 HydrophobicContact CB-CD2 4.49Å; M91-L95 HydrophobicContact CE-CD1 3.93Å; M91-L95 HydrophobicContact CE-CD2 3.16Å; M91-L95 HydrophobicContact CE-CG 4.1Å; M91-L95 PolarHBondContact N-O 2.97Å
92G77.6Confident90.8Very high56 Ų5672.9 Ų72.958%0.57739%0.391SS*.SBendtrans73.5-165.9-179.300000113.7
93P77.3Confident90.9Very high142 Ų14269.7 Ų69.792%0.92238%0.377SS*.THydrogen-bonded Turntrans-75.1126.6176.829.8-31.6000110.5
94G80.7Confident90.9Very high59 Ų5962.4 Ų62.461%0.60834%0.343SS*.THydrogen-bonded Turntrans99.7-0.9169.100000116.6
95L89.4Confident90.8Very high58 Ų5862.6 Ų62.630%0.30434%0.335SS..  trans-139121.2170.9-159.1164.1000111.4I62 E63 M91I62-L95 HydrophobicContact CG2-CD2 4.09Å; E63-L95 WeakPolarHBondContact O-CA 3.24Å; M91-L95 HydrophobicContact CB-CD2 4.49Å; M91-L95 HydrophobicContact CE-CD1 3.93Å; M91-L95 HydrophobicContact CE-CD2 3.16Å; M91-L95 HydrophobicContact CE-CG 4.1Å; M91-L95 PolarHBondContact N-O 2.97Å
96S90.3Very high90.5Very high27 Ų2761.9 Ų61.919%0.18934%0.338CS..EExtended strand (participates in β ladder)trans-120141172.131.20000110.3I62 E63I62-S96 CarbonylContact C-O 3.53Å; I62-S96 WeakPolarHBondContact CA-O 3.25Å; E63-S96 WeakPolarHBondContact CB-OG 3.26Å; E63-S96 PolarHBondContact N-O 3.17Å; E63-S96 PolarHBondContact O-N 3.11Å; E63-S96 PolarHBondContact OE2-OG 3.43Å
97L93.1Very high90.4Very high35 Ų3564.7 Ų64.718%0.18335%0.347CS..EExtended strand (participates in β ladder)trans-122.3129168.9161.770.2000108M60 L61 I62 H89M60-L97 HydrophobicContact CB-CD1 3.95Å; M60-L97 HydrophobicContact CG-CD1 4.36Å; L61-L97 CarbonylContact O-C 3.57Å; L61-L97 VanDerWaalsContact O-CA 3.31Å; L61-L97 WeakPolarHBondContact O-CA 3.32Å; I62-L97 HydrophobicContact CG1-CD1 3.66Å; H89-L97 HydrophobicContact CB-CB 4.06Å; H89-L97 HydrophobicContact CB-CD2 4.07Å; H89-L97 HydrophobicContact CB-CG 4.2Å; H89-L97 PolarHBondContact N-O 3.41Å; H89-L97 PolarHBondContact O-N 2.92Å
98I93.9Very high90.5Very high17 Ų1767.2 Ų67.29%0.08736%0.359CS..EExtended strand (participates in β ladder)trans-121.5130.6169.2-53.5-178.9000107.1M60 L61 V86 T87 E88 L119M60-I98 CarbonylContact C-O 3.51Å; M60-I98 WeakPolarHBondContact CA-O 3.43Å; L61-I98 PolarHBondContact N-O 2.87Å; L61-I98 PolarHBondContact O-N 2.87Å; V86-I98 HydrophobicContact CG1-CG2 3.64Å; T87-I98 WeakPolarHBondContact O-CA 3.44Å; E88-I98 HydrophobicContact CG-CD1 4.43Å; E88-I98 HydrophobicContact CG-CG1 4.19Å; E88-I98 HydrophobicContact CG-CG2 4.42Å; I98-L119 HydrophobicContact CG2-CB 4.01Å; I98-L119 HydrophobicContact CG2-CD2 4.23Å; I98-L119 HydrophobicContact CG2-CG 3.99Å
99S95.8Very high90.8Very high10 Ų1064.8 Ų64.87%0.0735%0.347CS..EExtended strand (participates in β ladder)trans-122.2144.1178.765.60000111.2L59 V86 T87L59-S99 CarbonylContact O-C 3.54Å; L59-S99 VanDerWaalsContact O-CA 3.24Å; L59-S99 WeakPolarHBondContact O-CA 3.38Å; V86-S99 CarbonylContact C-O 3.55Å; V86-S99 VanDerWaalsContact CA-O 3.25Å; V86-S99 WeakPolarHBondContact CA-O 3.45Å; T87-S99 PolarHBondContact N-O 2.8Å; T87-S99 PolarHBondContact O-N 2.95Å; T87-S99 PolarHBondContact O-OG 3.17Å
100Y97.5Very high91.2Very high22 Ų2261.1 Ų61.19%0.08633%0.33CS..EExtended strand (participates in β ladder)trans-118.4136.1167.6170.9-80.2000109.4D57 T58 L59 P84 R85 V86 F102 L113 P118 L119D57-Y100 HydrophobicContact CB-CD1 4.46Å; D57-Y100 HydrophobicContact CB-CE1 3.92Å; T58-Y100 WeakPolarHBondContact CA-O 3.46Å; L59-Y100 PolarHBondContact N-O 2.69Å; L59-Y100 PolarHBondContact O-N 2.93Å; P84-Y100 HydrophobicContact CB-CE2 3.86Å; R85-Y100 CarbonylContact O-C 3.6Å; R85-Y100 VanDerWaalsContact O-CA 3.26Å; R85-Y100 WeakPolarHBondContact O-CA 3.08Å; V86-Y100 HydrophobicContact CG2-CD2 3.91Å; Y100-F102 HydrophobicContact CE1-CB 3.65Å; Y100-L113 HydrophobicContact CD1-CD2 3.68Å; Y100-L113 HydrophobicContact CE1-CB 4.42Å; Y100-L113 HydrophobicContact CE1-CD1 4.42Å; Y100-L113 HydrophobicContact CE1-CD2 3.8Å; Y100-L113 HydrophobicContact CE1-CG 4.44Å; Y100-L113 HydrophobicContact CG-CD2 4.34Å; Y100-P118 HydrophobicContact CD2-CB 4.43Å; Y100-L119 HydrophobicContact CD2-CD1 4.26Å; Y100-L119 HydrophobicContact CG-CD1 4.03Å
101T97.9Very high92Very high32 Ų3252.5 Ų52.520%0.19630%0.298CS..EExtended strand (participates in β ladder)trans-135.7136.3176.455.90000109.7D57 T58 Q82 R85D57-T101 WeakPolarHBondContact O-CA 3.22Å; T58-T101 HydrophobicContact CG2-CG2 4.47Å; Q82-T101 PolarHBondContact NE2-OG1 2.9Å; R85-T101 PolarHBondContact N-O 2.88Å; R85-T101 PolarHBondContact O-N 2.82Å
102F98.3Very high92.8Very high29 Ų2951.6 Ų51.613%0.12730%0.295CS..EExtended strand (participates in β ladder)trans-147.3136.9174.5176.5-132000109.7Q56 D57 Q82 P84 Y100 C104 C110Q56-F102 WeakPolarHBondContact CA-O 3.34Å; D57-F102 HydrophobicContact CB-CB 4.36Å; D57-F102 PolarHBondContact N-O 2.74Å; D57-F102 PolarHBondContact O-N 2.89Å; Q82-F102 WeakPolarHBondContact O-CD2 2.84Å; P84-F102 HydrophobicContact CB-CB 4.48Å; P84-F102 HydrophobicContact CB-CD2 4.23Å; P84-F102 HydrophobicContact CB-CG 4.48Å; P84-F102 VanDerWaalsContact CD-CD2 3.45Å; P84-F102 HydrophobicContact CG-CD2 3.49Å; P84-F102 VanDerWaalsContact CG-CD2 3.49Å; P84-F102 HydrophobicContact CG-CE2 3.76Å; P84-F102 HydrophobicContact CG-CG 3.99Å; P84-F102 HydrophobicContact CG-CZ 4.42Å; Y100-F102 HydrophobicContact CE1-CB 3.65Å; F102-C104 HydrophobicContact CE1-CB 3.93Å; F102-C104 VanDerWaalsContact CE1-SG 3.57Å; F102-C104 HydrophobicContact CE2-CB 4.07Å; F102-C104 HydrophobicContact CZ-CB 3.54Å; F102-C110 WeakPolarHBondContact CE1-O 3.4Å
103V98.4Very high93.8Very high6 Ų649.5 Ų49.54%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-135.8128.8177.5-177.70000109.6C55 Q56 T77 A79 K80 D81 Q82C55-V103 WeakPolarHBondContact O-CA 3.24Å; Q56-V103 HydrophobicContact CB-CG2 4.41Å; Q56-V103 HydrophobicContact CG-CG2 4.2Å; T77-V103 HydrophobicContact CG2-CG1 3.64Å; T77-V103 HydrophobicContact CG2-CG2 4.43Å; A79-V103 HydrophobicContact CB-CG1 4.48Å; A79-V103 HydrophobicContact CB-CG2 4.28Å; A79-V103 WeakPolarHBondContact O-CG1 3.06Å; K80-V103 WeakPolarHBondContact O-CB 3.49Å; K80-V103 WeakPolarHBondContact O-CG1 3.38Å; D81-V103 WeakPolarHBondContact CA-O 3.3Å; Q82-V103 HydrophobicContact CB-CB 4.18Å; Q82-V103 HydrophobicContact CB-CG2 4.44Å; Q82-V103 PolarHBondContact N-O 2.83Å; Q82-V103 PolarHBondContact O-N 2.77Å; Q82-V103 VanDerWaalsContact O-N 3.1Å
104C97.3Very high94.7Very high1 Ų145.5 Ų45.51%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-144.9154.9-172.756.20000112.3G54 C55 F102 C110 N111G54-C104 CarbonylContact C-O 3.46Å; G54-C104 WeakPolarHBondContact CA-O 3.42Å; C55-C104 PolarHBondContact N-O 2.76Å; C55-C104 PolarHBondContact O-N 2.89Å; F102-C104 HydrophobicContact CE1-CB 3.93Å; F102-C104 VanDerWaalsContact CE1-SG 3.57Å; F102-C104 HydrophobicContact CE2-CB 4.07Å; F102-C104 HydrophobicContact CZ-CB 3.54Å; C104-C110 VanDerWaalsContact C-SG 3.56Å; C104-C110 HydrophobicContact CB-CB 3.8Å; C104-C110 WeakPolarHBondContact CB-SG 3.47Å; C104-C110 WeakPolarHBondContact SG-CB 3.34Å; C104-C110 CovalentContact SG-SG 2.02Å; C104-C110 PolarHBondContact SG-SG 2.89Å; C104-N111 PolarHBondContact SG-N 2.77Å
105R94.9Very high95.4Very high70 Ų7044.6 Ų44.626%0.26423%0.225SC..  trans-140.2-1.2-177.9-79.9177.6-179.181.61114G52 T77 E78 A79 D81G52-R105 PolarHBondContact O-NE 3.17Å; T77-R105 PolarHBondContact O-NH2 2.9Å; E78-R105 PolarHBondContact O-NH2 2.92Å; A79-R105 PolarHBondContact O-NH1 3.39Å; A79-R105 PolarHBondContact O-NH2 2.98Å; D81-R105 WeakPolarHBondContact OD1-CD 3.12Å; D81-R105 VanDerWaalsContact OD1-CG 3.3Å; D81-R105 WeakPolarHBondContact OD1-CG 3.39Å; D81-R105 IonicContact OD1-CZ 3.7Å; D81-R105 IonicContact OD1-NE 3.96Å; D81-R105 IonicContact OD1-NH1 2.69Å; D81-R105 PolarHBondContact OD1-NH1 2.83Å
106Q88.9Confident95.7Very high133 Ų13341.9 Ų41.962%0.62121%0.211SC*.SBendtrans-77-30.2-165.7-61.773.530.700112.5D81D81-Q106 PolarHBondContact OD2-NE2 2.75Å
107E92.8Very high95.8Very high129 Ų12945.4 Ų45.460%0.60323%0.227SC*.SBendtrans-154.7157.9-174.864.1-175.4178.900112C110E107-C110 HydrophobicContact CG-CB 3.84Å; E107-C110 WeakPolarHBondContact O-CB 3.44Å; E107-C110 PolarHBondContact O-N 3.41Å; E107-C110 PolarHBondContact O-SG 2.76Å
108D96.6Very high95.6Very high81 Ų8146.8 Ų46.843%0.43324%0.238SC..THydrogen-bonded Turntrans-58.5138.8173.9-74.4-22.4000111.1L23 C110L23-D108 HydrophobicContact CB-CB 4.07Å; L23-D108 PolarHBondContact N-OD1 2.95Å; L23-D108 CarbonylContact O-C 3.55Å; L23-D108 WeakPolarHBondContact O-CA 3.47Å; D108-C110 PolarHBondContact O-N 3.22Å
109F97.3Very high95.3Very high68 Ų6846.3 Ų46.330%0.29824%0.235SC..THydrogen-bonded Turntrans6022.9177.7-48.2-67.9000114.9L23 Q25 N46 N111L23-F109 HydrophobicContact CB-CD1 4.33Å; L23-F109 HydrophobicContact CB-CE1 3.67Å; L23-F109 HydrophobicContact CB-CE2 3.99Å; L23-F109 HydrophobicContact CB-CZ 3.49Å; L23-F109 VanDerWaalsContact CB-CZ 3.49Å; L23-F109 HydrophobicContact CD1-CE2 4.03Å; L23-F109 HydrophobicContact CD1-CZ 3.73Å; L23-F109 HydrophobicContact CG-CZ 4.22Å; L23-F109 PolarHBondContact O-N 2.03Å; Q25-F109 HydrophobicContact CG-CD1 4.34Å; N46-F109 HydrophobicContact CB-CE1 3.8Å; N46-F109 HydrophobicContact CB-CZ 4.44Å; N46-F109 VanDerWaalsContact CG-CE1 3.4Å; N46-F109 WeakPolarHBondContact ND2-CE1 3.31Å; F109-N111 PolarHBondContact O-N 3.23Å; F109-N111 VanDerWaalsContact O-N 3.11Å
110C97.2Very high94.5Very high7 Ų748.3 Ų48.35%0.04724%0.242CC..  trans-56.7-28.4178.864.20000113F102 C104 E107 D108 N112F102-C110 WeakPolarHBondContact CE1-O 3.4Å; C104-C110 VanDerWaalsContact C-SG 3.56Å; C104-C110 HydrophobicContact CB-CB 3.8Å; C104-C110 WeakPolarHBondContact CB-SG 3.47Å; C104-C110 WeakPolarHBondContact SG-CB 3.34Å; C104-C110 CovalentContact SG-SG 2.02Å; C104-C110 PolarHBondContact SG-SG 2.89Å; E107-C110 HydrophobicContact CG-CB 3.84Å; E107-C110 WeakPolarHBondContact O-CB 3.44Å; E107-C110 PolarHBondContact O-N 3.41Å; E107-C110 PolarHBondContact O-SG 2.76Å; D108-C110 PolarHBondContact O-N 3.22Å; C110-N112 VanDerWaalsContact C-N 3.25Å; C110-N112 PolarHBondContact O-N 3.22Å
111N97.7Very high93.1Very high0 Ų050.7 Ų50.70%027%0.266CS..  trans-78.665.9175.872.5-41.8000112.8Q25 C55 Q56 D57 K74 C104 F109 L113Q25-N111 WeakPolarHBondContact CB-OD1 3.39Å; Q25-N111 VanDerWaalsContact CD-O 3.28Å; Q25-N111 PolarHBondContact N-OD1 2.91Å; Q25-N111 PolarHBondContact O-ND2 3.34Å; Q25-N111 PolarHBondContact OE1-O 2.91Å; C55-N111 HydrophobicContact CB-CB 3.59Å; C55-N111 VanDerWaalsContact CB-CG 3.44Å; C55-N111 WeakPolarHBondContact CB-OD1 3.38Å; Q56-N111 PolarHBondContact O-ND2 2.88Å; D57-N111 WeakPolarHBondContact OD1-CB 3.45Å; D57-N111 PolarHBondContact OD1-ND2 2.76Å; D57-N111 WeakPolarHBondContact OD2-CA 3.48Å; D57-N111 VanDerWaalsContact OD2-O 3.1Å; K74-N111 PolarHBondContact NZ-O 2.82Å; C104-N111 PolarHBondContact SG-N 2.77Å; F109-N111 PolarHBondContact O-N 3.23Å; F109-N111 VanDerWaalsContact O-N 3.11Å; N111-L113 PolarHBondContact O-N 3.16Å
112N96.7Very high91.2Very high101 Ų10153.7 Ų53.754%0.5429%0.286SS..  trans-94.319-165.365.69.1000115.8D57 C110 V114D57-N112 PolarHBondContact OD2-N 3.05Å; C110-N112 VanDerWaalsContact C-N 3.25Å; C110-N112 PolarHBondContact O-N 3.22Å; N112-V114 PolarHBondContact O-N 2.91Å; N112-V114 VanDerWaalsContact O-N 3.11Å
113L97Very high89Confident12 Ų1257.3 Ų57.36%0.06330%0.303CS..  trans-67.8108.9178.8-174.875.2000111.4W42 D57 L59 K74 Y100 N111 P118W42-L113 HydrophobicContact CZ2-CD2 4.06Å; W42-L113 HydrophobicContact CZ2-CG 3.96Å; W42-L113 PolarHBondContact NE1-O 2.88Å; D57-L113 HydrophobicContact CB-CB 4.31Å; D57-L113 WeakPolarHBondContact OD2-CB 3.36Å; D57-L113 PolarHBondContact OD2-N 2.91Å; L59-L113 HydrophobicContact CB-CD2 3.97Å; L59-L113 HydrophobicContact CD2-CD2 4.05Å; K74-L113 WeakPolarHBondContact CE-O 3.34Å; K74-L113 PolarHBondContact NZ-O 3.21Å; Y100-L113 HydrophobicContact CD1-CD2 3.68Å; Y100-L113 HydrophobicContact CE1-CB 4.42Å; Y100-L113 HydrophobicContact CE1-CD1 4.42Å; Y100-L113 HydrophobicContact CE1-CD2 3.8Å; Y100-L113 HydrophobicContact CE1-CG 4.44Å; Y100-L113 HydrophobicContact CG-CD2 4.34Å; N111-L113 PolarHBondContact O-N 3.16Å; L113-P118 HydrophobicContact CD1-CB 4.48Å; L113-P118 HydrophobicContact CD1-CG 3.63Å
114V96.8Very high86.4Confident58 Ų5861.1 Ų61.135%0.35233%0.328SS..  trans-110.23.2-176.5-66.60000114.9Q41 W42 P44 N112Q41-V114 WeakPolarHBondContact CA-O 3.24Å; W42-V114 VanDerWaalsContact CE2-C 3.43Å; W42-V114 PolarHBondContact N-O 3.26Å; P44-V114 HydrophobicContact CG-CG1 4.46Å; N112-V114 PolarHBondContact O-N 2.91Å; N112-V114 VanDerWaalsContact O-N 3.11Å
115N95.6Very high83.8Confident41 Ų4166 Ų6622%0.21936%0.36CS..BIsolated β-bridgetrans-155.8164.4179.165.666.6000112.7R40 Q41 W42 L117 P118R40-N115 CarbonylContact O-C 3.58Å; R40-N115 WeakPolarHBondContact O-CA 3.39Å; R40-N115 WeakPolarHBondContact O-CB 3.42Å; Q41-N115 HydrophobicContact CG-CB 3.99Å; W42-N115 VanDerWaalsContact CH2-CA 3.47Å; W42-N115 VanDerWaalsContact CH2-O 3.24Å; W42-N115 WeakPolarHBondContact CH2-O 3.44Å; W42-N115 VanDerWaalsContact CZ3-C 3.47Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 3.05Å; N115-L117 WeakPolarHBondContact OD1-CB 3.46Å; N115-L117 PolarHBondContact OD1-N 3.26Å; N115-P118 WeakPolarHBondContact O-CD 2.95Å
116S95.4Very high81.7Confident0 Ų068.1 Ų68.10%039%0.392CS..SBendtrans-85.18-178.770.30000114.4P39 R40 W42 P118 L119 W120P39-S116 VanDerWaalsContact CA-OG 3.22Å; P39-S116 WeakPolarHBondContact CA-OG 3.38Å; P39-S116 WeakPolarHBondContact CB-OG 3.36Å; R40-S116 PolarHBondContact N-OG 3.17Å; R40-S116 PolarHBondContact O-N 3.22Å; W42-S116 VanDerWaalsContact CH2-N 3.32Å; S116-P118 VanDerWaalsContact C-CD 3.48Å; S116-L119 PolarHBondContact O-N 3Å; S116-W120 PolarHBondContact O-N 3Å
117L93.2Very high79.8Confident102 Ų10265.3 Ų65.353%0.53440%0.399SS..G310 helixtrans-58.3-39.5-176.8-170.368.7000113P39 N115 L119 W120P39-L117 HydrophobicContact CB-CB 4.4Å; P39-L117 HydrophobicContact CB-CD1 4.42Å; P39-L117 HydrophobicContact CG-CD1 4.13Å; N115-L117 VanDerWaalsContact C-N 3.27Å; N115-L117 PolarHBondContact O-N 3.05Å; N115-L117 WeakPolarHBondContact OD1-CB 3.46Å; N115-L117 PolarHBondContact OD1-N 3.26Å; L117-L119 PolarHBondContact O-N 2.95Å; L117-W120 PolarHBondContact O-N 3.42Å
118P89Confident77.5Confident64 Ų6462.5 Ų62.542%0.41640%0.398SS..G310 helixtrans-64.6-14.2-178.7-2739.7000115.2Y100 L113 N115 S116Y100-P118 HydrophobicContact CD2-CB 4.43Å; L113-P118 HydrophobicContact CD1-CB 4.48Å; L113-P118 HydrophobicContact CD1-CG 3.63Å; N115-P118 WeakPolarHBondContact O-CD 2.95Å; S116-P118 VanDerWaalsContact C-CD 3.48Å
119L88.1Confident75.1Confident6 Ų663.7 Ų63.73%0.03141%0.412CS..G310 helixtrans-108.7-6.3177.2-68.566.3000111.4L59 L61 I98 Y100 S116 L117L59-L119 HydrophobicContact CB-CD2 4.17Å; L59-L119 HydrophobicContact CD2-CD1 3.68Å; L59-L119 HydrophobicContact CD2-CD2 3.79Å; L59-L119 HydrophobicContact CD2-CG 4.27Å; L59-L119 HydrophobicContact CG-CD1 4.45Å; L59-L119 HydrophobicContact CG-CD2 3.78Å; L61-L119 HydrophobicContact CD1-CB 3.65Å; L61-L119 HydrophobicContact CD1-CD2 4.39Å; L61-L119 HydrophobicContact CG-CB 4.21Å; L61-L119 HydrophobicContact CG-CD2 4.03Å; I98-L119 HydrophobicContact CG2-CB 4.01Å; I98-L119 HydrophobicContact CG2-CD2 4.23Å; I98-L119 HydrophobicContact CG2-CG 3.99Å; Y100-L119 HydrophobicContact CD2-CD1 4.26Å; Y100-L119 HydrophobicContact CG-CD1 4.03Å; S116-L119 PolarHBondContact O-N 3Å; L117-L119 PolarHBondContact O-N 2.95Å
120W78.3Confident72.6Confident52 Ų5262.9 Ų62.920%0.19742%0.422CS..  trans-99.7105-175.7-177.9-112.8000110.6V35 L38 S116 L117 P122V35-W120 HydrophobicContact CG1-CH2 3.4Å; V35-W120 HydrophobicContact CG1-CZ2 4.48Å; V35-W120 HydrophobicContact CG1-CZ3 3.83Å; L38-W120 HydrophobicContact CB-CD2 3.88Å; L38-W120 HydrophobicContact CB-CE3 3.95Å; L38-W120 HydrophobicContact CB-CG 4.35Å; L38-W120 HydrophobicContact CB-CZ2 4.49Å; L38-W120 HydrophobicContact CB-CZ3 4.32Å; L38-W120 HydrophobicContact CD1-CD2 4.24Å; L38-W120 HydrophobicContact CD1-CE3 3.51Å; L38-W120 HydrophobicContact CD1-CZ3 3.81Å; L38-W120 HydrophobicContact CG-CE3 4.37Å; S116-W120 PolarHBondContact O-N 3Å; L117-W120 PolarHBondContact O-N 3.42Å; W120-P122 HydrophobicContact CZ2-CB 4.48Å; W120-P122 HydrophobicContact CZ2-CG 4.46Å
121A68.1Low70.2Confident72 Ų7274.7 Ų74.760%0.59547%0.466SS*.  trans-116121.1159.600000107.1Q123A121-Q123 PolarHBondContact O-N 3.02Å
122P56.8Low67.8Low95 Ų9581 Ų8162%0.61750%0.504SS*.PPolyproline II helixtrans-54.3117.7174.2-21.830.6000109.4W120W120-P122 HydrophobicContact CZ2-CB 4.48Å; W120-P122 HydrophobicContact CZ2-CG 4.46Å
123Q52.6Low65.4Low105 Ų10579.1 Ų79.149%0.49151%0.508SS..PPolyproline II helixtrans-60.7129169.7-65.6-94.7-11.700107.1A121A121-Q123 PolarHBondContact O-N 3.02Å
124P44.1Very low63.1Low87 Ų8790.7 Ų90.757%0.56555%0.551SS**PPolyproline II helixtrans-57.6139.917221.1-28.8000108.9A126P124-A126 PolarHBondContact O-N 3.4Å
125P43.4Very low60.8Low103 Ų10399.2 Ų99.267%0.66958%0.577SS**PPolyproline II helixtrans-54.3140-177.518.6-29.2000110.2G127 A128P125-G127 PolarHBondContact O-N 2.91Å; P125-A128 HydrophobicContact CG-CB 4.47Å; P125-A128 PolarHBondContact O-N 2.75Å
126A51.2Low58.3Low115 Ų115100.5 Ų100.595%0.9560%0.6SS**THydrogen-bonded Turntrans-56.9-3.5-173.400000115.5P124P124-A126 PolarHBondContact O-N 3.4Å
127G47.9Very low55.9Low74 Ų74112.3 Ų112.376%0.76364%0.644SS**THydrogen-bonded Turntrans-104.2-0.8174.800000115.9P125 C129P125-G127 PolarHBondContact O-N 2.91Å; G127-C129 VanDerWaalsContact C-N 3.29Å; G127-C129 PolarHBondContact O-N 3.49Å
128A45.5Very low53.7Low70 Ų70110.9 Ų110.958%0.57966%0.655SS**  trans-84.80.5-179.600000113.9P125 G130P125-A128 HydrophobicContact CG-CB 4.47Å; P125-A128 PolarHBondContact O-N 2.75Å; A128-G130 PolarHBondContact O-N 2.92Å
129C45.6Very low51.6Low106 Ų106116.7 Ų116.772%0.71670%0.695SS**  trans-77.376.5165.9-144.80000108.1G127 R131G127-C129 VanDerWaalsContact C-N 3.29Å; G127-C129 PolarHBondContact O-N 3.49Å; C129-R131 PolarHBondContact O-N 3.48Å
130G44.8Very low49.8Very low50 Ų50122.2 Ų122.252%0.51573%0.728SS.*  trans-55.3138.1165.300000108.5A128 V132A128-G130 PolarHBondContact O-N 2.92Å; G130-V132 PolarHBondContact O-N 2.85Å
131R46.7Very low48.3Very low256 Ų256125.9 Ų125.997%0.96676%0.756SS**  trans-58.686.2175.5-69.8179.5-170.2167.32.8109.8C129C129-R131 PolarHBondContact O-N 3.48Å
132V46.7Very low47.2Very low132 Ų132128.9 Ų128.980%0.877%0.765SS**  trans-86.1114.5168.5178.70000106.7G130G130-V132 PolarHBondContact O-N 2.85Å
133G46.3Very low46.7Very low61 Ų61130.9 Ų130.963%0.62977%0.773SS**  trans-53.9150.1178.200000112.2R135G133-R135 PolarHBondContact O-N 2.7Å
134R49.2Very low46.3Very low255 Ų255132.5 Ų132.596%0.96279%0.791SS**SBendtrans-28.293.9175.8-77178.4170176.1-3.2113.7
135R48.5Very low46.4Very low237 Ų237135.5 Ų135.589%0.89481%0.806SS**  trans-169.6123.5143.4-106.5169.8-165.1-149.83.6108G133G133-R135 PolarHBondContact O-N 2.7Å
136G43.7Very low46.6Very low69 Ų69137.9 Ų137.971%0.71182%0.816SS**  trans-56.8135.6-167.800000115.1
137R44Very low46.3Very low247 Ų247139.6 Ų139.693%0.93281%0.805SS**  -161.5174.4107.3-106.3168-81.2-120.91.6105.8
138G46.3Very low46.2Very low73 Ų73145.1 Ų145.175%0.75381%0.809SS**  trans-52.5177.8177.200000113
139C46.6Very low46.2Very low185 Ų185151.9 Ų151.9100%1.2583%0.83SS**  trans-42.30171.6-57.40000112.3

Retrieved 139 of 139 residues in 79.5 ms (Link to these results)