Q8TEK8_HUMAN Loading...

FLJ00186 protein

AlphaFold DB , UniProt , Accession Q8TEK8, Species HUMAN (Homo sapiens, Human), Gene FLJ00186, Length 185 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
1V36.8Very low47.6Very low185 Ų185147.3 Ų147.3100%1.12179%0.791SS**  095.50179.20000107.8K3V1-K3 PolarHBondContact O-N 3.47Å
2C34.9Very low50.6Low132 Ų132138.6 Ų138.689%0.89275%0.749SS**  trans-84.2109.8176.5-64.20000107.9
3K31.2Very low53.7Low182 Ų182133.2 Ų133.279%0.79172%0.724SS**  trans-69.9135.7171.5-67-176.9176.4-177.20108.4V1 V5V1-K3 PolarHBondContact O-N 3.47Å; K3-V5 PolarHBondContact O-N 3.41Å
4P43Very low56.3Low124 Ų124131.8 Ų131.881%0.80571%0.714SS**  trans-65.8130.2165.665.7000107.9E6P4-E6 VanDerWaalsContact C-N 3.33Å; P4-E6 PolarHBondContact O-N 3.35Å
5V35.6Very low58.8Low129 Ų129132.1 Ų132.178%0.78271%0.709SS**  trans-69.396.9170.7179.80000106.5K3 E7K3-V5 PolarHBondContact O-N 3.41Å; V5-E7 HydrophobicContact CG1-CG 3.95Å; V5-E7 PolarHBondContact O-N 3.17Å
6E43.9Very low61Low176 Ų176127.3 Ų127.382%0.82268%0.681SS**  trans-71.588.7166.7-161.4165.6-161.600106.2P4 T8P4-E6 VanDerWaalsContact C-N 3.33Å; P4-E6 PolarHBondContact O-N 3.35Å; E6-T8 VanDerWaalsContact C-N 3.34Å; E6-T8 PolarHBondContact O-N 2.98Å
7E40.8Very low63Low136 Ų136120.4 Ų120.464%0.63664%0.644SS**  trans-64.698.1172-74.4-170.7166.300108V5 Q9V5-E7 HydrophobicContact CG1-CG 3.95Å; V5-E7 PolarHBondContact O-N 3.17Å; E7-Q9 HydrophobicContact CB-CG 4.08Å; E7-Q9 PolarHBondContact O-N 3.16Å; E7-Q9 PolarHBondContact OE2-NE2 2.99Å
8T42.7Very low64.8Low138 Ų138120.3 Ų120.385%0.84764%0.637SS**  trans-67.874.1165.8-43.50000108.3E6 R10E6-T8 VanDerWaalsContact C-N 3.34Å; E6-T8 PolarHBondContact O-N 2.98Å; T8-R10 PolarHBondContact O-N 2.76Å
9Q59Low66.5Low124 Ų124119.6 Ų119.658%0.57963%0.63SS**PPolyproline II helixtrans-65.2124.6176.2-71.9-179.7-2.100108.4E7E7-Q9 HydrophobicContact CB-CG 4.08Å; E7-Q9 PolarHBondContact O-N 3.16Å; E7-Q9 PolarHBondContact OE2-NE2 2.99Å
10R77.8Confident68Low177 Ų177117.8 Ų117.867%0.66862%0.616SS**PPolyproline II helixtrans-49.6145171.966.6-174.9-169.5173.35.2109.9T8 E16T8-R10 PolarHBondContact O-N 2.76Å; R10-E16 IonicContact CZ-OE1 2.58Å; R10-E16 IonicContact NH2-OE1 3.51Å; R10-E16 PolarHBondContact NH2-OE1 3.08Å
11P77.7Confident69.4Low117 Ų117112.3 Ų112.376%0.7659%0.588SS**PPolyproline II helixtrans-53.5129.8173.3-24.333.6000110
12P83.3Confident72.3Confident43 Ų43107.4 Ų107.428%0.27956%0.555SS.*PPolyproline II helixtrans-63.2141.4179.426.1-34.1000110.2E16 I17 Y149P12-E16 WeakPolarHBondContact CA-OE2 3.45Å; P12-E16 HydrophobicContact CB-CB 4.44Å; P12-I17 HydrophobicContact CB-CD1 3.94Å; P12-I17 HydrophobicContact CB-CG1 4.16Å; P12-I17 HydrophobicContact CG-CD1 3.64Å; P12-I17 HydrophobicContact CG-CG1 4.13Å; P12-Y149 HydrophobicContact CG-CE2 4.02Å
13T91Very high75.3Confident69 Ų69104.7 Ų104.742%0.42354%0.537SS..PPolyproline II helixtrans-69.6157.8175.3620000110.9Q15 E16 I17T13-Q15 PolarHBondContact O-N 2.8Å; T13-E16 PolarHBondContact N-OE2 3.34Å; T13-E16 PolarHBondContact O-N 3.05Å; T13-E16 VanDerWaalsContact O-N 3.12Å; T13-E16 WeakPolarHBondContact OG1-CB 3.33Å; T13-E16 VanDerWaalsContact OG1-CD 3.28Å; T13-E16 WeakPolarHBondContact OG1-CG 3.22Å; T13-E16 PolarHBondContact OG1-N 2.77Å; T13-E16 PolarHBondContact OG1-OE2 3.3Å; T13-E16 VanDerWaalsContact OG1-OE2 3.05Å; T13-I17 PolarHBondContact O-N 2.88Å
14L91.1Very high78.4Confident113 Ų11396.5 Ų96.559%0.59250%0.502SS*.Hα-helixtrans-57.6-35.3176.6-68.6176.7000112.6I17 K18L14-I17 PolarHBondContact O-N 2.72Å; L14-K18 WeakPolarHBondContact O-CB 3.38Å; L14-K18 PolarHBondContact O-N 2.89Å
15Q93.4Very high81Confident136 Ų13693 Ų9364%0.63648%0.476SS*.Hα-helixtrans-67.4-43176.9-172.8176.2-4.500111.9T13 I17 K18 Q19T13-Q15 PolarHBondContact O-N 2.8Å; Q15-I17 VanDerWaalsContact C-N 3.33Å; Q15-I17 PolarHBondContact O-N 2.93Å; Q15-K18 PolarHBondContact O-N 2.92Å; Q15-Q19 WeakPolarHBondContact O-CG 3.29Å; Q15-Q19 PolarHBondContact O-N 2.91Å
16E93.6Very high83.9Confident56 Ų5692.8 Ų92.826%0.26248%0.475SS..Hα-helixtrans-62.6-40.4174.7-73.6164.2159.400111.1R10 P12 T13 Q19 K20R10-E16 IonicContact CZ-OE1 2.58Å; R10-E16 IonicContact NH2-OE1 3.51Å; R10-E16 PolarHBondContact NH2-OE1 3.08Å; P12-E16 WeakPolarHBondContact CA-OE2 3.45Å; P12-E16 HydrophobicContact CB-CB 4.44Å; T13-E16 PolarHBondContact N-OE2 3.34Å; T13-E16 PolarHBondContact O-N 3.05Å; T13-E16 VanDerWaalsContact O-N 3.12Å; T13-E16 WeakPolarHBondContact OG1-CB 3.33Å; T13-E16 VanDerWaalsContact OG1-CD 3.28Å; T13-E16 WeakPolarHBondContact OG1-CG 3.22Å; T13-E16 PolarHBondContact OG1-N 2.77Å; T13-E16 PolarHBondContact OG1-OE2 3.3Å; T13-E16 VanDerWaalsContact OG1-OE2 3.05Å; E16-Q19 PolarHBondContact O-N 3.31Å; E16-K20 WeakPolarHBondContact O-CB 3.42Å; E16-K20 WeakPolarHBondContact O-CG 3.48Å; E16-K20 PolarHBondContact O-N 3Å
17I95.3Very high86.3Confident10 Ų1091 Ų915%0.05146%0.461CS..Hα-helixtrans-63.1-47.1175.3-68.1-61.5000111.1P12 T13 L14 Q15 Q19 K20 I21 L36 Y42 Y149 L152P12-I17 HydrophobicContact CB-CD1 3.94Å; P12-I17 HydrophobicContact CB-CG1 4.16Å; P12-I17 HydrophobicContact CG-CD1 3.64Å; P12-I17 HydrophobicContact CG-CG1 4.13Å; T13-I17 PolarHBondContact O-N 2.88Å; L14-I17 PolarHBondContact O-N 2.72Å; Q15-I17 VanDerWaalsContact C-N 3.33Å; Q15-I17 PolarHBondContact O-N 2.93Å; I17-Q19 PolarHBondContact O-N 3.4Å; I17-K20 PolarHBondContact O-N 3.08Å; I17-I21 HydrophobicContact CG2-CD1 3.78Å; I17-I21 HydrophobicContact CG2-CG1 4.39Å; I17-I21 WeakPolarHBondContact O-CG1 3.36Å; I17-I21 PolarHBondContact O-N 3.32Å; I17-L36 HydrophobicContact CG2-CD1 4.08Å; I17-Y42 HydrophobicContact CD1-CE1 4.3Å; I17-Y42 HydrophobicContact CG2-CD1 3.73Å; I17-Y42 HydrophobicContact CG2-CE1 3.86Å; I17-Y149 HydrophobicContact CD1-CE2 4.41Å; I17-L152 HydrophobicContact CD1-CD2 4.13Å; I17-L152 HydrophobicContact CG2-CD2 4.48Å
18K96.3Very high88.7Confident119 Ų11986.2 Ų86.252%0.51744%0.439SS..Hα-helixtrans-57-49.2177.5-175.1178178.7-179.60111.4L14 Q15 K20 I21 D22 L36L14-K18 WeakPolarHBondContact O-CB 3.38Å; L14-K18 PolarHBondContact O-N 2.89Å; Q15-K18 PolarHBondContact O-N 2.92Å; K18-K20 VanDerWaalsContact C-N 3.33Å; K18-K20 PolarHBondContact O-N 3.42Å; K18-I21 PolarHBondContact O-N 3.19Å; K18-I21 VanDerWaalsContact O-N 3.15Å; K18-D22 PolarHBondContact O-N 3.22Å; K18-L36 HydrophobicContact CB-CD2 4.07Å; K18-L36 HydrophobicContact CG-CD2 4.21Å
19Q96.8Very high90.6Very high107 Ų10788.5 Ų88.550%0.544%0.437SS..Hα-helixtrans-60.5-40.2177.8-73175.9-13.400112.8Q15 E16 I17 S23Q15-Q19 WeakPolarHBondContact O-CG 3.29Å; Q15-Q19 PolarHBondContact O-N 2.91Å; E16-Q19 PolarHBondContact O-N 3.31Å; I17-Q19 PolarHBondContact O-N 3.4Å; Q19-S23 WeakPolarHBondContact O-CB 3.37Å; Q19-S23 PolarHBondContact O-N 3.46Å; Q19-S23 PolarHBondContact O-OG 3.45Å
20K96.7Very high91.8Very high82 Ų8287.9 Ų87.936%0.35744%0.437SS..Hα-helixtrans-65.3-40.8175.2-76.4177.5-179.8-71.70111.8E16 I17 K18 S23 Y24 L152 L153E16-K20 WeakPolarHBondContact O-CB 3.42Å; E16-K20 WeakPolarHBondContact O-CG 3.48Å; E16-K20 PolarHBondContact O-N 3Å; I17-K20 PolarHBondContact O-N 3.08Å; K18-K20 VanDerWaalsContact C-N 3.33Å; K18-K20 PolarHBondContact O-N 3.42Å; K20-S23 PolarHBondContact O-N 3.31Å; K20-Y24 VanDerWaalsContact O-CB 3.29Å; K20-Y24 WeakPolarHBondContact O-CB 3.35Å; K20-Y24 PolarHBondContact O-N 2.99Å; K20-L152 HydrophobicContact CB-CD1 3.9Å; K20-L152 HydrophobicContact CB-CD2 4.25Å; K20-L152 HydrophobicContact CB-CG 4.07Å; K20-L153 HydrophobicContact CD-CD2 4.02Å
21I97.8Very high91.9Very high4 Ų485.7 Ų85.72%0.02145%0.448CS..Hα-helixtrans-63.9-45.9177-73.3171.6000110.4I17 K18 S23 Y24 N25 M34 L36 Y42 L152I17-I21 HydrophobicContact CG2-CD1 3.78Å; I17-I21 HydrophobicContact CG2-CG1 4.39Å; I17-I21 WeakPolarHBondContact O-CG1 3.36Å; I17-I21 PolarHBondContact O-N 3.32Å; K18-I21 PolarHBondContact O-N 3.19Å; K18-I21 VanDerWaalsContact O-N 3.15Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3Å; I21-Y24 WeakPolarHBondContact O-CB 3.25Å; I21-Y24 PolarHBondContact O-N 3.22Å; I21-N25 WeakPolarHBondContact O-CB 3.43Å; I21-N25 PolarHBondContact O-N 3.5Å; I21-N25 PolarHBondContact O-ND2 2.86Å; I21-M34 HydrophobicContact CG1-CB 4.13Å; I21-M34 HydrophobicContact CG2-CB 4.04Å; I21-M34 WeakPolarHBondContact CG2-O 3.47Å; I21-L36 HydrophobicContact CD1-CB 4.03Å; I21-L36 HydrophobicContact CD1-CD1 4.08Å; I21-Y42 HydrophobicContact CD1-CD1 4.28Å; I21-Y42 HydrophobicContact CD1-CD2 4.32Å; I21-Y42 HydrophobicContact CD1-CG 3.84Å; I21-L152 HydrophobicContact CG1-CD1 3.88Å; I21-L152 HydrophobicContact CG1-CD2 4.18Å
22D97.3Very high92.6Very high81 Ų8181.6 Ų81.643%0.43342%0.42SS..Hα-helixtrans-59.9-47.5178.1-66.7-24.6000110.4K18 Y24 N25 T26K18-D22 PolarHBondContact O-N 3.22Å; D22-Y24 VanDerWaalsContact C-N 3.33Å; D22-Y24 PolarHBondContact O-N 2.82Å; D22-N25 PolarHBondContact O-N 2.99Å; D22-T26 PolarHBondContact O-N 3.34Å; D22-T26 PolarHBondContact O-OG1 3.49Å
23S96.9Very high93.1Very high75 Ų7580.5 Ų80.552%0.52442%0.416SS..Hα-helixtrans-61.5-39176.7-58.30000113Q19 K20 I21Q19-S23 WeakPolarHBondContact O-CB 3.37Å; Q19-S23 PolarHBondContact O-N 3.46Å; Q19-S23 PolarHBondContact O-OG 3.45Å; K20-S23 PolarHBondContact O-N 3.31Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3Å
24Y97.4Very high93.4Very high10 Ų1077.3 Ų77.34%0.03940%0.396CS..Hα-helixtrans-62.2-49.9174.6-178.6-74.8000110.3K20 I21 D22 T26 R27 E28 M34 R151 L152 G155 P156K20-Y24 VanDerWaalsContact O-CB 3.29Å; K20-Y24 WeakPolarHBondContact O-CB 3.35Å; K20-Y24 PolarHBondContact O-N 2.99Å; I21-Y24 WeakPolarHBondContact O-CB 3.25Å; I21-Y24 PolarHBondContact O-N 3.22Å; D22-Y24 VanDerWaalsContact C-N 3.33Å; D22-Y24 PolarHBondContact O-N 2.82Å; Y24-T26 PolarHBondContact O-N 3.38Å; Y24-R27 PolarHBondContact O-N 2.97Å; Y24-R27 VanDerWaalsContact O-N 3.09Å; Y24-E28 HydrophobicContact CD1-CB 4.31Å; Y24-E28 HydrophobicContact CE1-CB 4.05Å; Y24-E28 HydrophobicContact CE1-CG 4.28Å; Y24-E28 PolarHBondContact O-N 3.27Å; Y24-E28 VanDerWaalsContact O-N 3.09Å; Y24-M34 HydrophobicContact CD1-CG 4.14Å; Y24-M34 HydrophobicContact CD2-CE 3.99Å; Y24-M34 HydrophobicContact CE1-CE 4.4Å; Y24-M34 HydrophobicContact CE1-CG 4.2Å; Y24-M34 HydrophobicContact CE2-CE 3.65Å; Y24-M34 HydrophobicContact CG-CE 4.5Å; Y24-R151 HydrophobicContact CE2-CG 4.07Å; Y24-L152 HydrophobicContact CD2-CD1 4.39Å; Y24-L152 HydrophobicContact CG-CD1 4.49Å; Y24-G155 VanDerWaalsContact CD2-C 3.48Å; Y24-G155 WeakPolarHBondContact CE2-O 3.23Å; Y24-P156 HydrophobicContact CE1-CB 4.03Å; Y24-P156 HydrophobicContact CE2-CB 3.97Å
25N96.9Very high93.7Very high51 Ų5179.2 Ų79.227%0.27340%0.4SS..Hα-helixtrans-67.2-33.3-174.7-71.9-12000112.7I21 D22 R27 E28 G33 M34I21-N25 WeakPolarHBondContact O-CB 3.43Å; I21-N25 PolarHBondContact O-N 3.5Å; I21-N25 PolarHBondContact O-ND2 2.86Å; D22-N25 PolarHBondContact O-N 2.99Å; N25-R27 PolarHBondContact O-N 3.42Å; N25-E28 PolarHBondContact O-N 3.12Å; N25-G33 WeakPolarHBondContact OD1-CA 3.38Å; N25-M34 PolarHBondContact ND2-O 3.45Å; N25-M34 PolarHBondContact OD1-N 2.98Å
26T96.2Very high93.9Very high125 Ų12576.1 Ų76.177%0.76739%0.387SS*.Hα-helixtrans-61.4-30.2173.2-530000112.5D22 Y24D22-T26 PolarHBondContact O-N 3.34Å; D22-T26 PolarHBondContact O-OG1 3.49Å; Y24-T26 PolarHBondContact O-N 3.38Å
27R94.7Very high94Very high139 Ų13975.6 Ų75.653%0.52539%0.39SS..Hα-helixtrans-91.5-17.9179.8-67.4173.260.2-163.9-1.6113.2Y24 N25 P156Y24-R27 PolarHBondContact O-N 2.97Å; Y24-R27 VanDerWaalsContact O-N 3.09Å; N25-R27 PolarHBondContact O-N 3.42Å; R27-P156 HydrophobicContact CB-CG 3.59Å
28E91.3Very high93.8Very high34 Ų3485.1 Ų85.116%0.15943%0.434CS..  trans-84.6122.5-178.7-178.458.8-116.800111.1Y24 N25 N30 L32 P156Y24-E28 HydrophobicContact CD1-CB 4.31Å; Y24-E28 HydrophobicContact CE1-CB 4.05Å; Y24-E28 HydrophobicContact CE1-CG 4.28Å; Y24-E28 PolarHBondContact O-N 3.27Å; Y24-E28 VanDerWaalsContact O-N 3.09Å; N25-E28 PolarHBondContact O-N 3.12Å; E28-N30 PolarHBondContact OE1-N 3.23Å; E28-N30 PolarHBondContact OE1-ND2 2.94Å; E28-N30 VanDerWaalsContact OE1-ND2 3.14Å; E28-L32 HydrophobicContact CG-CB 4.15Å; E28-P156 HydrophobicContact CB-CB 4.3Å; E28-P156 WeakPolarHBondContact OE2-CB 3.35Å
29K83.1Confident93.6Very high186 Ų18685.1 Ų85.181%0.80944%0.44SS*.  trans-101.7-12.4-171.4-62.8-176.8-179.4-179.80114.2
30N82.9Confident93.3Very high111 Ų11180.9 Ų80.959%0.59443%0.425SS*.SBendtrans-105.821.7-165.7-55.7-62.2000114.4E28 L32E28-N30 PolarHBondContact OE1-N 3.23Å; E28-N30 PolarHBondContact OE1-ND2 2.94Å; E28-N30 VanDerWaalsContact OE1-ND2 3.14Å; N30-L32 HydrophobicContact CB-CD1 3.87Å; N30-L32 HydrophobicContact CB-CG 3.91Å; N30-L32 WeakPolarHBondContact O-CG 3.42Å; N30-L32 PolarHBondContact O-N 3.13Å; N30-L32 VanDerWaalsContact O-N 3.12Å
31C81.5Confident93.2Very high131 Ų13178.6 Ų78.689%0.88542%0.417SS*.SBendtrans58.220.4-170.9-55.40000113.7G33C31-G33 VanDerWaalsContact C-N 3.31Å
32L90.7Very high93.2Very high32 Ų3279 Ų7917%0.16842%0.419CS..  trans-98.228.9179.8-59.4175.7000112.2E28 N30 F45E28-L32 HydrophobicContact CG-CB 4.15Å; N30-L32 HydrophobicContact CB-CD1 3.87Å; N30-L32 HydrophobicContact CB-CG 3.91Å; N30-L32 WeakPolarHBondContact O-CG 3.42Å; N30-L32 PolarHBondContact O-N 3.13Å; N30-L32 VanDerWaalsContact O-N 3.12Å; L32-F45 HydrophobicContact CB-CB 4.49Å; L32-F45 HydrophobicContact CB-CD2 3.98Å; L32-F45 HydrophobicContact CB-CG 4.39Å; L32-F45 HydrophobicContact CD2-CD1 4.23Å; L32-F45 HydrophobicContact CD2-CD2 3.93Å; L32-F45 HydrophobicContact CD2-CE1 4.31Å; L32-F45 HydrophobicContact CD2-CE2 4.04Å; L32-F45 HydrophobicContact CD2-CG 4.02Å; L32-F45 HydrophobicContact CD2-CZ 4.23Å
33G94.1Very high93.3Very high19 Ų1976.9 Ų76.920%0.19641%0.409CS..  trans-65.9164.9-179.300000112.8N25 C31N25-G33 WeakPolarHBondContact OD1-CA 3.38Å; C31-G33 VanDerWaalsContact C-N 3.31Å
34M97.8Very high93.4Very high3 Ų373.3 Ų73.32%0.01538%0.384CS..  trans-87.8148.6172-59.3-161.3-174.700111I21 Y24 N25 Y42 T43 L148 R151 L152I21-M34 HydrophobicContact CG1-CB 4.13Å; I21-M34 HydrophobicContact CG2-CB 4.04Å; I21-M34 WeakPolarHBondContact CG2-O 3.47Å; Y24-M34 HydrophobicContact CD1-CG 4.14Å; Y24-M34 HydrophobicContact CD2-CE 3.99Å; Y24-M34 HydrophobicContact CE1-CE 4.4Å; Y24-M34 HydrophobicContact CE1-CG 4.2Å; Y24-M34 HydrophobicContact CE2-CE 3.65Å; Y24-M34 HydrophobicContact CG-CE 4.5Å; N25-M34 PolarHBondContact ND2-O 3.45Å; N25-M34 PolarHBondContact OD1-N 2.98Å; M34-Y42 HydrophobicContact SD-CD2 3.99Å; M34-Y42 HydrophobicContact SD-CE2 4.11Å; M34-T43 CarbonylContact C-O 3.59Å; M34-T43 WeakPolarHBondContact CA-O 3.31Å; M34-T43 WeakPolarHBondContact CB-O 3.43Å; M34-L148 HydrophobicContact CE-CD1 3.8Å; M34-L148 HydrophobicContact CE-CG 4.24Å; M34-L148 HydrophobicContact SD-CD1 4.28Å; M34-L148 HydrophobicContact SD-CG 4.32Å; M34-R151 HydrophobicContact CE-CB 4.19Å; M34-R151 HydrophobicContact CE-CG 3.92Å; M34-L152 HydrophobicContact CE-CB 3.82Å; M34-L152 HydrophobicContact CE-CD1 4.36Å; M34-L152 HydrophobicContact SD-CB 3.85Å; M34-L152 HydrophobicContact SD-CD1 3.73Å; M34-L152 HydrophobicContact SD-CG 4.23Å
35K97.1Very high93.4Very high153 Ų15375.6 Ų75.667%0.66539%0.394SS*.EExtended strand (participates in β ladder)trans-123.4123.3178.6-65.1-176.8-179.5-177.30109.6Y42 T43K35-Y42 CarbonylContact O-C 3.59Å; K35-Y42 WeakPolarHBondContact O-CA 3.46Å; K35-Y42 VanDerWaalsContact O-CB 3.25Å; K35-Y42 WeakPolarHBondContact O-CB 3.43Å; K35-T43 PolarHBondContact N-O 3.41Å; K35-T43 PolarHBondContact O-N 3.49Å
36L97.4Very high93.4Very high70 Ų7073.3 Ų73.337%0.36638%0.382SS..EExtended strand (participates in β ladder)trans-78.6134.4172.4-172.367.6000109.6I17 K18 I21I17-L36 HydrophobicContact CG2-CD1 4.08Å; K18-L36 HydrophobicContact CB-CD2 4.07Å; K18-L36 HydrophobicContact CG-CD2 4.21Å; I21-L36 HydrophobicContact CD1-CB 4.03Å; I21-L36 HydrophobicContact CD1-CD1 4.08Å
37S96.1Very high93.4Very high46 Ų4672.2 Ų72.232%0.32237%0.367SS..  trans-96.1162.1174.5-60.30000110.7D39 G40 T41S37-D39 VanDerWaalsContact C-N 3.28Å; S37-D39 WeakPolarHBondContact CB-OD1 3.18Å; S37-D39 PolarHBondContact O-N 3.49Å; S37-G40 PolarHBondContact O-N 2.84Å; S37-G40 VanDerWaalsContact O-N 3.13Å; S37-T41 VanDerWaalsContact CB-O 3.31Å; S37-T41 WeakPolarHBondContact CB-O 3.36Å; S37-T41 WeakPolarHBondContact CB-OG1 3.48Å; S37-T41 PolarHBondContact N-O 3.44Å; S37-T41 PolarHBondContact OG-OG1 2.88Å
38E91.4Very high93.6Very high210 Ų21065.6 Ų65.698%0.98134%0.342SS*.THydrogen-bonded Turntrans-64.7-30.5-179.4-63.8178.8-17700113.4G40E38-G40 PolarHBondContact O-N 3.41Å
39D91.4Very high93.8Very high119 Ų11965.5 Ų65.564%0.63634%0.341SS*.THydrogen-bonded Turntrans-76.42.5176.968.2-11.2000113.4S37 T41S37-D39 VanDerWaalsContact C-N 3.28Å; S37-D39 WeakPolarHBondContact CB-OD1 3.18Å; S37-D39 PolarHBondContact O-N 3.49Å; D39-T41 VanDerWaalsContact CG-OG1 3.31Å; D39-T41 PolarHBondContact O-N 3.09Å; D39-T41 WeakPolarHBondContact OD1-CB 3.17Å; D39-T41 PolarHBondContact OD1-N 3.28Å; D39-T41 PolarHBondContact OD1-OG1 3.17Å; D39-T41 WeakPolarHBondContact OD2-CG2 3.26Å; D39-T41 PolarHBondContact OD2-OG1 3Å
40G89.9Confident94.3Very high18 Ų1856.7 Ų56.719%0.18630%0.303CS..SBendtrans80.7-1.5-177.400000114.4S37 E38S37-G40 PolarHBondContact O-N 2.84Å; S37-G40 VanDerWaalsContact O-N 3.13Å; E38-G40 PolarHBondContact O-N 3.41Å
41T96.1Very high94.6Very high33 Ų3356 Ų5620%0.20230%0.295CS..  trans-74.8166.2167.670.70000110.2S37 D39 T101S37-T41 VanDerWaalsContact CB-O 3.31Å; S37-T41 WeakPolarHBondContact CB-O 3.36Å; S37-T41 WeakPolarHBondContact CB-OG1 3.48Å; S37-T41 PolarHBondContact N-O 3.44Å; S37-T41 PolarHBondContact OG-OG1 2.88Å; D39-T41 VanDerWaalsContact CG-OG1 3.31Å; D39-T41 PolarHBondContact O-N 3.09Å; D39-T41 WeakPolarHBondContact OD1-CB 3.17Å; D39-T41 PolarHBondContact OD1-N 3.28Å; D39-T41 PolarHBondContact OD1-OG1 3.17Å; D39-T41 WeakPolarHBondContact OD2-CG2 3.26Å; D39-T41 PolarHBondContact OD2-OG1 3Å; T41-T101 HydrophobicContact CG2-CG2 4.23Å
42Y98Very high94.7Very high12 Ų1250 Ų505%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-142.5155.3173.653.6-85.8000110.1I17 I21 M34 K35 S99 S100 L148 Y149 L152I17-Y42 HydrophobicContact CD1-CE1 4.3Å; I17-Y42 HydrophobicContact CG2-CD1 3.73Å; I17-Y42 HydrophobicContact CG2-CE1 3.86Å; I21-Y42 HydrophobicContact CD1-CD1 4.28Å; I21-Y42 HydrophobicContact CD1-CD2 4.32Å; I21-Y42 HydrophobicContact CD1-CG 3.84Å; M34-Y42 HydrophobicContact SD-CD2 3.99Å; M34-Y42 HydrophobicContact SD-CE2 4.11Å; K35-Y42 CarbonylContact O-C 3.59Å; K35-Y42 WeakPolarHBondContact O-CA 3.46Å; K35-Y42 VanDerWaalsContact O-CB 3.25Å; K35-Y42 WeakPolarHBondContact O-CB 3.43Å; Y42-S99 CarbonylContact O-C 3.58Å; Y42-S99 WeakPolarHBondContact O-CA 3.49Å; Y42-S100 PolarHBondContact N-OG 3.05Å; Y42-S100 PolarHBondContact O-N 3.14Å; Y42-L148 HydrophobicContact CD2-CD2 3.67Å; Y42-L148 HydrophobicContact CD2-CG 4.23Å; Y42-L148 HydrophobicContact CE2-CD2 3.78Å; Y42-L148 HydrophobicContact CE2-CG 3.91Å; Y42-Y149 WeakPolarHBondContact OH-CA 3.44Å; Y42-Y149 WeakPolarHBondContact OH-CB 3.47Å; Y42-Y149 WeakPolarHBondContact OH-CD2 3.39Å; Y42-L152 HydrophobicContact CE1-CD2 4.33Å; Y42-L152 HydrophobicContact CE2-CB 4.46Å; Y42-L152 HydrophobicContact CE2-CD2 3.85Å
43T98.5Very high94.2Very high38 Ų3856.2 Ų56.223%0.23328%0.275CS..EExtended strand (participates in β ladder)trans-119.7156.7177.955.10000110.1M34 K35 I98M34-T43 CarbonylContact C-O 3.59Å; M34-T43 WeakPolarHBondContact CA-O 3.31Å; M34-T43 WeakPolarHBondContact CB-O 3.43Å; K35-T43 PolarHBondContact N-O 3.41Å; K35-T43 PolarHBondContact O-N 3.49Å; T43-I98 VanDerWaalsContact CA-O 3.31Å; T43-I98 WeakPolarHBondContact CA-O 3.31Å
44G98Very high93Very high0 Ų057.1 Ų57.10%027%0.273CS..EExtended strand (participates in β ladder)trans179-170.4179.600000111.9H97 I98G44-H97 WeakPolarHBondContact O-CA 3.45Å; G44-H97 PolarHBondContact O-CD2 2.83Å; G44-H97 VanDerWaalsContact O-CD2 3.27Å; G44-I98 PolarHBondContact N-O 3.34Å; G44-I98 PolarHBondContact O-N 3.42Å
45F97.9Very high91.4Very high57 Ų5759.1 Ų59.125%0.2529%0.286CS..EExtended strand (participates in β ladder)trans-112.7142.4-172.8-61.2-92.6000112.3L32 Q95 L96 H97L32-F45 HydrophobicContact CB-CB 4.49Å; L32-F45 HydrophobicContact CB-CD2 3.98Å; L32-F45 HydrophobicContact CB-CG 4.39Å; L32-F45 HydrophobicContact CD2-CD1 4.23Å; L32-F45 HydrophobicContact CD2-CD2 3.93Å; L32-F45 HydrophobicContact CD2-CE1 4.31Å; L32-F45 HydrophobicContact CD2-CE2 4.04Å; L32-F45 HydrophobicContact CD2-CG 4.02Å; L32-F45 HydrophobicContact CD2-CZ 4.23Å; F45-Q95 HydrophobicContact CB-CG 4.42Å; F45-Q95 HydrophobicContact CD1-CG 4.09Å; F45-L96 CarbonylContact C-O 3.57Å; F45-L96 VanDerWaalsContact CA-O 3.24Å; F45-L96 WeakPolarHBondContact CA-O 3.33Å; F45-H97 HydrophobicContact CD1-CB 3.93Å; F45-H97 HydrophobicContact CE1-CB 3.66Å; F45-H97 AromaticContact CE1-CD2 3.88Å; F45-H97 AromaticContact CE1-CG 3.94Å; F45-H97 AromaticContact CE2-CD2 3.94Å; F45-H97 HydrophobicContact CZ-CB 4.32Å; F45-H97 AromaticContact CZ-CD2 3.73Å
46I97.5Very high89.5Confident3 Ų355 Ų552%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-125.5153.6164.664.3166.9000110V48 Q95 L96 I98 V107 P147 L148 R151 F163I46-V48 HydrophobicContact CD1-CG2 3.86Å; I46-V48 HydrophobicContact CG1-CG2 4.33Å; I46-Q95 CarbonylContact O-C 3.49Å; I46-Q95 WeakPolarHBondContact O-CA 3.46Å; I46-L96 HydrophobicContact CD1-CD1 4.32Å; I46-L96 HydrophobicContact CG1-CB 4.01Å; I46-L96 HydrophobicContact CG1-CD1 4.43Å; I46-L96 PolarHBondContact N-O 2.78Å; I46-L96 PolarHBondContact O-N 2.81Å; I46-I98 HydrophobicContact CD1-CD1 3.61Å; I46-I98 HydrophobicContact CG1-CD1 3.85Å; I46-I98 HydrophobicContact CG1-CG1 4.36Å; I46-I98 HydrophobicContact CG2-CD1 4.05Å; I46-V107 HydrophobicContact CD1-CG2 4.41Å; I46-P147 HydrophobicContact CD1-CB 3.88Å; I46-L148 HydrophobicContact CG2-CD1 4.11Å; I46-R151 HydrophobicContact CG2-CB 4.05Å; I46-R151 HydrophobicContact CG2-CG 4.29Å; I46-F163 HydrophobicContact CB-CD2 4.16Å; I46-F163 HydrophobicContact CB-CE2 4.15Å; I46-F163 HydrophobicContact CG2-CD2 4.47Å; I46-F163 HydrophobicContact CG2-CE2 3.95Å
47K96.8Very high87.6Confident102 Ų10253.8 Ų53.844%0.44327%0.268SS..EExtended strand (participates in β ladder)trans-111.1126.2169.2-68.3179.5-177.6175.10108.7I93 K94 Q95K47-I93 HydrophobicContact CB-CG2 4.11Å; K47-K94 WeakPolarHBondContact CA-O 3.37Å; K47-Q95 HydrophobicContact CG-CB 4.35Å; K47-Q95 HydrophobicContact CG-CG 4.37Å
48V97.6Very high85.6Confident0 Ų054.5 Ų54.50%027%0.271CS..EExtended strand (participates in β ladder)trans-114.3124.6176.8-175.90000108.8I46 L50 I93 K94 L96 V107 L111 L126 F163 L165I46-V48 HydrophobicContact CD1-CG2 3.86Å; I46-V48 HydrophobicContact CG1-CG2 4.33Å; V48-L50 WeakPolarHBondContact O-CD1 3.36Å; V48-I93 CarbonylContact O-C 3.48Å; V48-I93 WeakPolarHBondContact O-CA 3.17Å; V48-K94 PolarHBondContact N-O 2.92Å; V48-K94 PolarHBondContact O-N 2.6Å; V48-L96 HydrophobicContact CG2-CD1 4.13Å; V48-V107 HydrophobicContact CG2-CG1 4.27Å; V48-L111 HydrophobicContact CB-CD1 3.93Å; V48-L111 HydrophobicContact CG1-CD1 3.63Å; V48-L111 HydrophobicContact CG2-CD1 4.14Å; V48-L126 HydrophobicContact CG1-CD1 3.64Å; V48-L126 HydrophobicContact CG2-CD1 4.43Å; V48-F163 CarbonylContact C-O 3.58Å; V48-F163 WeakPolarHBondContact CA-O 3.43Å; V48-F163 HydrophobicContact CB-CB 4.5Å; V48-F163 HydrophobicContact CG1-CB 4.49Å; V48-F163 HydrophobicContact CG2-CB 4.06Å; V48-L165 HydrophobicContact CG1-CB 3.94Å
49H95.8Very high83.8Confident33 Ų3349.1 Ų49.115%0.15325%0.254CS..EExtended strand (participates in β ladder)trans-86.4112.7171.3-169.1173.1000108.9K51 D91 A92 I93 F163 V164 L165H49-K51 WeakPolarHBondContact CE1-CE 3.39Å; H49-D91 IonicContact CD2-OD1 3.41Å; H49-D91 PolarHBondContact CD2-OD1 3.09Å; H49-D91 IonicContact CE1-OD1 2.93Å; H49-D91 IonicContact NE2-OD1 3.98Å; H49-D91 PolarHBondContact NE2-OD1 3.29Å; H49-D91 IonicContact NE2-OD2 2.83Å; H49-A92 CarbonylContact C-O 3.55Å; H49-I93 HydrophobicContact CB-CG1 4.37Å; H49-F163 PolarHBondContact N-O 3.14Å; H49-V164 HydrophobicContact CB-CG1 4.31Å; H49-V164 HydrophobicContact CB-CG2 4.16Å; H49-V164 CarbonylContact O-C 3.43Å; H49-V164 VanDerWaalsContact O-CA 3.25Å; H49-V164 WeakPolarHBondContact O-CA 3.31Å; H49-V164 WeakPolarHBondContact O-CG1 3.13Å; H49-L165 PolarHBondContact O-N 2.67Å
50L93.3Very high81.9Confident0 Ų046.4 Ų46.40%025%0.248CC..EExtended strand (participates in β ladder)trans-84.1119.2173.3-65.882.6000107.9V48 L52 L90 D91 A92 K94 L111 F115 L165V48-L50 WeakPolarHBondContact O-CD1 3.36Å; L50-L52 HydrophobicContact CD2-CD1 4.42Å; L50-L90 CarbonylContact C-O 3.59Å; L50-L90 HydrophobicContact CB-CD2 3.99Å; L50-L90 HydrophobicContact CD2-CD2 3.88Å; L50-D91 WeakPolarHBondContact O-CA 3.32Å; L50-A92 WeakPolarHBondContact CD1-O 3.47Å; L50-A92 PolarHBondContact N-O 2.86Å; L50-A92 PolarHBondContact O-N 2.88Å; L50-A92 VanDerWaalsContact O-N 3.12Å; L50-K94 HydrophobicContact CD1-CB 3.81Å; L50-L111 HydrophobicContact CD1-CD2 4.27Å; L50-L111 HydrophobicContact CD2-CB 4.47Å; L50-F115 HydrophobicContact CD1-CE2 3.94Å; L50-F115 HydrophobicContact CD1-CZ 4.16Å; L50-F115 HydrophobicContact CD2-CD2 3.49Å; L50-F115 VanDerWaalsContact CD2-CD2 3.49Å; L50-F115 HydrophobicContact CD2-CE2 3.4Å; L50-F115 VanDerWaalsContact CD2-CE2 3.4Å; L50-F115 HydrophobicContact CD2-CG 4.12Å; L50-F115 HydrophobicContact CD2-CZ 3.95Å; L50-F115 HydrophobicContact CG-CE2 4.36Å; L50-L165 HydrophobicContact CD2-CD2 4.28Å; L50-L165 HydrophobicContact CG-CB 4.49Å; L50-L165 HydrophobicContact CG-CD2 4.22Å
51K89.6Confident80.1Confident98 Ų9848.7 Ų48.743%0.42627%0.272SS..EExtended strand (participates in β ladder)trans-122.480.2171.4-69.7-168.3174-167.40108.2H49 L90 V164 L165 K166H49-K51 WeakPolarHBondContact CE1-CE 3.39Å; K51-L90 WeakPolarHBondContact CA-O 3.36Å; K51-V164 HydrophobicContact CB-CG1 4.46Å; K51-V164 HydrophobicContact CD-CG1 4.21Å; K51-V164 HydrophobicContact CG-CG1 4.19Å; K51-L165 PolarHBondContact N-O 3.2Å; K51-K166 HydrophobicContact CB-CG 4.34Å
52L84.7Confident78Confident5 Ų554.5 Ų54.53%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-117.3159-173.8-56.1-177.1000110.6L50 R54 P89 L90 L112 V117 F124 L165L50-L52 HydrophobicContact CD2-CD1 4.42Å; L52-R54 HydrophobicContact CB-CG 4.47Å; L52-P89 CarbonylContact O-C 3.48Å; L52-P89 WeakPolarHBondContact O-CA 3.33Å; L52-L90 HydrophobicContact CB-CB 4.43Å; L52-L90 PolarHBondContact N-O 3.43Å; L52-L90 PolarHBondContact O-N 2.89Å; L52-L112 HydrophobicContact CD1-CD2 4.11Å; L52-V117 HydrophobicContact CD1-CG2 4.14Å; L52-F124 HydrophobicContact CD1-CD1 4.49Å; L52-F124 HydrophobicContact CD1-CE1 4.18Å; L52-F124 HydrophobicContact CD2-CD1 3.55Å; L52-F124 HydrophobicContact CD2-CE1 3.65Å; L52-F124 HydrophobicContact CG-CE1 4.4Å; L52-L165 HydrophobicContact CD1-CD2 4.22Å; L52-L165 HydrophobicContact CD2-CG 4.22Å
53R78.8Confident75.9Confident162 Ų16260.5 Ų60.561%0.61132%0.323SS*.EExtended strand (participates in β ladder)trans-110.2122.8165.9-65.3-177.9-174.8176.35.6107.8Y87 E167R53-Y87 HydrophobicContact CB-CD1 4.33Å; R53-E167 PolarHBondContact N-OE1 2.98Å; R53-E167 VanDerWaalsContact N-OE1 3.09Å
54R68.4Low73.6Confident38 Ų3862.7 Ų62.714%0.14334%0.337CS..EExtended strand (participates in β ladder)trans-117.5135.9-172.6-67.9-175.9-177.6-167.6-11.1113.2L52 V56 Y87 L88 L90 F115 V117L52-R54 HydrophobicContact CB-CG 4.47Å; R54-V56 PolarHBondContact O-N 2.86Å; R54-Y87 CarbonylContact O-C 3.58Å; R54-Y87 WeakPolarHBondContact O-CA 3.48Å; R54-L88 PolarHBondContact N-O 2.78Å; R54-L88 PolarHBondContact O-N 2.58Å; R54-L90 HydrophobicContact CG-CB 4.45Å; R54-F115 VanDerWaalsContact CZ-CB 3.45Å; R54-F115 VanDerWaalsContact NH1-CB 3.31Å; R54-F115 PolarHBondContact NH1-O 3.4Å; R54-V117 HydrophobicContact CG-CG2 4.27Å; R54-V117 VanDerWaalsContact NE-CG2 3.29Å
55P64.4Low71.4Confident45 Ų4571.2 Ų71.229%0.29238%0.377SS..EExtended strand (participates in β ladder)trans-67104.6171.728.2-30.7000109.6F86 Y87P55-F86 CarbonylContact C-O 3.46Å; P55-F86 WeakPolarHBondContact CA-O 3.45Å; P55-Y87 HydrophobicContact CB-CD1 4.35Å; P55-Y87 HydrophobicContact CB-CE1 3.98Å; P55-Y87 HydrophobicContact CG-CE1 4.08Å
56V58.4Low69.3Low66 Ų6673.6 Ų73.640%0.440%0.401SS..EExtended strand (participates in β ladder)trans-83.4123.1161.3-179.80000106.9R54 S85 F86 L88R54-V56 PolarHBondContact O-N 2.86Å; V56-S85 CarbonylContact O-C 3.51Å; V56-S85 WeakPolarHBondContact O-CA 3.44Å; V56-F86 WeakPolarHBondContact CA-O 3.06Å; V56-F86 PolarHBondContact N-O 3.29Å; V56-F86 PolarHBondContact O-N 3.14Å; V56-L88 HydrophobicContact CG2-CB 3.49Å; V56-L88 VanDerWaalsContact CG2-CB 3.49Å; V56-L88 HydrophobicContact CG2-CD2 4.23Å; V56-L88 HydrophobicContact CG2-CG 4.5Å
57T56.7Low67.3Low44 Ų4477.6 Ų77.627%0.2742%0.422SS..EExtended strand (participates in β ladder)trans-101.7122.3174.3-3.70000110.3R83T57-R83 VanDerWaalsContact CB-CZ 3.45Å; T57-R83 HydrophobicContact CG2-CB 3.7Å; T57-R83 HydrophobicContact CG2-CG 3.34Å; T57-R83 VanDerWaalsContact CG2-NE 3.27Å; T57-R83 PolarHBondContact OG1-NH2 3.49Å
58V54.3Low65.1Low61 Ų6180.9 Ų80.937%0.3743%0.433SS..PPolyproline II helixtrans-82139.4171.1-66.60000109.4A60 T84 F86V58-A60 PolarHBondContact O-N 2.94Å; V58-T84 WeakPolarHBondContact CG2-OG1 3.42Å; V58-F86 HydrophobicContact CG1-CD2 4.42Å; V58-F86 HydrophobicContact CG2-CD2 4.25Å; V58-F86 HydrophobicContact CG2-CE2 3.91Å
59P53.9Low62.9Low98 Ų9889 Ų8964%0.63648%0.476SS*.PPolyproline II helixtrans-59.5126.4168.8-20.131.9000109.4G61P59-G61 PolarHBondContact O-N 2.9Å; P59-G61 VanDerWaalsContact O-N 3.11Å
60A50.7Low60.9Low62 Ų6291.1 Ų91.151%0.51250%0.499SS..THydrogen-bonded Turntrans-65.3110.816900000107.8V58V58-A60 PolarHBondContact O-N 2.94Å
61G53Low59.1Low66 Ų6696.3 Ų96.368%0.6853%0.526SS*.THydrogen-bonded Turntrans153.5-13.1176.700000118P59 R63P59-G61 PolarHBondContact O-N 2.9Å; P59-G61 VanDerWaalsContact O-N 3.11Å; G61-R63 PolarHBondContact O-N 3.31Å
62I52Low57.4Low154 Ų154101.9 Ų101.979%0.7955%0.55SS**  trans-78.980.2172.5-49.8178.2000108.2
63R52.8Low55.9Low138 Ų138110.2 Ų110.252%0.52159%0.589SS.*  trans-73.6128164.8-65.7-179.9-177.5175.61.1107.1G61 Q65G61-R63 PolarHBondContact O-N 3.31Å; R63-Q65 PolarHBondContact O-N 3.37Å
64P51.2Low54.4Low84 Ų84106 Ų10655%0.54558%0.581SS.*  trans-55.9142.5163.822.6-30.2000108.7S66 I67P64-S66 PolarHBondContact O-N 3.41Å; P64-I67 HydrophobicContact CG-CD1 4.3Å
65Q51.7Low53.5Low179 Ų179110.7 Ų110.784%0.83661%0.609SS**G310 helixtrans-58.9-8.2-173.1-80.4157.2-37.400114.6R63 I67R63-Q65 PolarHBondContact O-N 3.37Å; Q65-I67 VanDerWaalsContact C-N 3.32Å; Q65-I67 PolarHBondContact O-N 3.5Å
66S53.5Low52.7Low108 Ų108115.8 Ų115.876%0.75563%0.633SS**G310 helixtrans-77.4-1.9-175.559.90000116.2P64P64-S66 PolarHBondContact O-N 3.41Å
67I55.9Low52.1Low86 Ų86117 Ų11744%0.44165%0.65SS.*G310 helixtrans-115.66.9-174.4-18.9177.3000113.7P64 Q65 D69 A70P64-I67 HydrophobicContact CG-CD1 4.3Å; Q65-I67 VanDerWaalsContact C-N 3.32Å; Q65-I67 PolarHBondContact O-N 3.5Å; I67-D69 PolarHBondContact O-N 2.98Å; I67-D69 VanDerWaalsContact O-N 3.16Å; I67-A70 PolarHBondContact O-N 2.9Å
68Y51.3Low51.6Low172 Ų172118.4 Ų118.468%0.67567%0.666SS**THydrogen-bonded Turntrans-64.4-20-173.7-93.8-87.6000114.4
69D49.9Very low51.4Low169 Ų169118.5 Ų118.590%0.90467%0.667SS**THydrogen-bonded Turntrans-94.2-11.2-174.9-68.5-28.9000115.1I67I67-D69 PolarHBondContact O-N 2.98Å; I67-D69 VanDerWaalsContact O-N 3.16Å
70A54.9Low51Low79 Ų79119.6 Ų119.665%0.65367%0.672SS**SBendtrans-95.9-16.1-166.600000116.4I67I67-A70 PolarHBondContact O-N 2.9Å
71I55.3Low50.9Low109 Ų109123.9 Ų123.956%0.55969%0.686SS**  trans-143.494-173.4-45.3177.5000111.2E73 V74I71-E73 VanDerWaalsContact C-N 3.34Å; I71-V74 HydrophobicContact CG2-CG2 3.65Å
72K52.7Low50.7Low215 Ų215128.6 Ų128.694%0.93569%0.688SS**SBendtrans-82.60.1179.5-121.5-177.6-176.1-179.10115
73E53.7Low50.8Low179 Ų179129.1 Ų129.184%0.83668%0.68SS**  trans-142.198.2179.2-71.1-170.6161.500111.6I71I71-E73 VanDerWaalsContact C-N 3.34Å
74V48.5Very low50.6Low74 Ų74126.1 Ų126.145%0.44868%0.677SS.*  trans-136.6118.7159-175.40000107.5I71 L76 T79I71-V74 HydrophobicContact CG2-CG2 3.65Å; V74-L76 PolarHBondContact O-N 2.89Å; V74-T79 HydrophobicContact CG1-CG2 4.01Å
75N48.2Very low50.7Low137 Ų137125.2 Ų125.273%0.73367%0.673SS**  trans-48.6111.5172.3-84.6-67.1000110.7A77 A78N75-A77 PolarHBondContact O-N 3.16Å; N75-A77 VanDerWaalsContact O-N 3.1Å; N75-A78 PolarHBondContact O-N 3.5Å; N75-A78 VanDerWaalsContact O-N 3.13Å
76L48Very low50.9Low152 Ų152122.5 Ų122.580%0.79666%0.658SS**G310 helixtrans-55-31.2-179.2-96.882.4000112.6V74 A78 T79V74-L76 PolarHBondContact O-N 2.89Å; L76-A78 VanDerWaalsContact C-N 3.25Å; L76-A78 PolarHBondContact O-N 3.15Å; L76-T79 PolarHBondContact O-N 2.87Å; L76-T79 PolarHBondContact O-OG1 3.33Å
77A45.5Very low51.2Low91 Ų91123.8 Ų123.875%0.75265%0.648SS**G310 helixtrans-68.8-16-177.700000114.6N75N75-A77 PolarHBondContact O-N 3.16Å; N75-A77 VanDerWaalsContact O-N 3.1Å
78A47.1Very low51.5Low74 Ų74124.9 Ų124.961%0.61265%0.654SS**G310 helixtrans-96.6-0.8-179.100000114N75 L76N75-A78 PolarHBondContact O-N 3.5Å; N75-A78 VanDerWaalsContact O-N 3.13Å; L76-A78 VanDerWaalsContact C-N 3.25Å; L76-A78 PolarHBondContact O-N 3.15Å
79T49.2Very low52.4Low62 Ų62121.1 Ų121.138%0.3865%0.651SS.*SBendtrans-101.8-5.5-172.459.60000114.8V74 L76 D81V74-T79 HydrophobicContact CG1-CG2 4.01Å; L76-T79 PolarHBondContact O-N 2.87Å; L76-T79 PolarHBondContact O-OG1 3.33Å; T79-D81 VanDerWaalsContact C-N 3.34Å; T79-D81 PolarHBondContact O-N 2.92Å
80T46.9Very low53.8Low121 Ų121114.9 Ų114.974%0.74262%0.617SS**THydrogen-bonded Turntrans-79.2-11.4-174.348.40000114.6
81D47.5Very low55.2Low153 Ų153116.4 Ų116.482%0.81861%0.614SS**THydrogen-bonded Turntrans-105.8-1.7-169.9-139.410.6000114.7T79 R83T79-D81 VanDerWaalsContact C-N 3.34Å; T79-D81 PolarHBondContact O-N 2.92Å; D81-R83 VanDerWaalsContact C-N 3.34Å; D81-R83 PolarHBondContact O-N 3.18Å
82K49.9Very low56.9Low164 Ų164112.3 Ų112.371%0.71360%0.596SS**  trans-95.359.5177.5-63.7-171.1-177.6-178.50111.3T84K82-T84 PolarHBondContact O-N 2.92Å; K82-T84 VanDerWaalsContact O-N 3.14Å
83R53.1Low58.8Low165 Ų165107.6 Ų107.662%0.62358%0.58SS**  trans-73.898.2166.6-126.7-175.5150.9-176.2-12.2107.7T57 D81 S85T57-R83 VanDerWaalsContact CB-CZ 3.45Å; T57-R83 HydrophobicContact CG2-CB 3.7Å; T57-R83 HydrophobicContact CG2-CG 3.34Å; T57-R83 VanDerWaalsContact CG2-NE 3.27Å; T57-R83 PolarHBondContact OG1-NH2 3.49Å; D81-R83 VanDerWaalsContact C-N 3.34Å; D81-R83 PolarHBondContact O-N 3.18Å; R83-S85 PolarHBondContact O-N 2.85Å
84T48.4Very low60.8Low76 Ų76102 Ų10247%0.46655%0.553SS.*PPolyproline II helixtrans-71.4116.2171.443.60000108.8V58 K82V58-T84 WeakPolarHBondContact CG2-OG1 3.42Å; K82-T84 PolarHBondContact O-N 2.92Å; K82-T84 VanDerWaalsContact O-N 3.14Å
85S52.5Low63.1Low64 Ų64102.2 Ų102.245%0.44855%0.549SS..EExtended strand (participates in β ladder)trans-88.1123.3170.947.80000109.4V56 R83V56-S85 CarbonylContact O-C 3.51Å; V56-S85 WeakPolarHBondContact O-CA 3.44Å; R83-S85 PolarHBondContact O-N 2.85Å
86F56.1Low65.4Low123 Ų12397.1 Ų97.154%0.53952%0.522SS..EExtended strand (participates in β ladder)trans-103.8134.7170.7-67.8-85.8000108.8P55 V56 V58 L88P55-F86 CarbonylContact C-O 3.46Å; P55-F86 WeakPolarHBondContact CA-O 3.45Å; V56-F86 WeakPolarHBondContact CA-O 3.06Å; V56-F86 PolarHBondContact N-O 3.29Å; V56-F86 PolarHBondContact O-N 3.14Å; V58-F86 HydrophobicContact CG1-CD2 4.42Å; V58-F86 HydrophobicContact CG2-CD2 4.25Å; V58-F86 HydrophobicContact CG2-CE2 3.91Å; F86-L88 PolarHBondContact O-N 2.82Å
87Y61.4Low67.8Low135 Ų13595.4 Ų95.453%0.52951%0.509SS..EExtended strand (participates in β ladder)trans-84.9104.3176.3-72.8-96.3000110.6R53 R54 P55R53-Y87 HydrophobicContact CB-CD1 4.33Å; R54-Y87 CarbonylContact O-C 3.58Å; R54-Y87 WeakPolarHBondContact O-CA 3.48Å; P55-Y87 HydrophobicContact CB-CD1 4.35Å; P55-Y87 HydrophobicContact CB-CE1 3.98Å; P55-Y87 HydrophobicContact CG-CE1 4.08Å
88L60.7Low70.3Confident109 Ų10992 Ų9257%0.57148%0.478SS*.EExtended strand (participates in β ladder)trans-86.6132.1173-169.971.7000109.7R54 V56 F86 L90R54-L88 PolarHBondContact N-O 2.78Å; R54-L88 PolarHBondContact O-N 2.58Å; V56-L88 HydrophobicContact CG2-CB 3.49Å; V56-L88 VanDerWaalsContact CG2-CB 3.49Å; V56-L88 HydrophobicContact CG2-CD2 4.23Å; V56-L88 HydrophobicContact CG2-CG 4.5Å; F86-L88 PolarHBondContact O-N 2.82Å; L88-L90 PolarHBondContact O-N 2.8Å
89P70.7Confident72.8Confident93 Ų9389.9 Ų89.960%0.60446%0.459SS*.EExtended strand (participates in β ladder)trans-59.1123169.1-21.933.6000110.3L52L52-P89 CarbonylContact O-C 3.48Å; L52-P89 WeakPolarHBondContact O-CA 3.33Å
90L79.3Confident75.1Confident38 Ų3887.5 Ų87.520%0.19945%0.445CS..EExtended strand (participates in β ladder)trans-92.7112.8160.8-175.978.8000108L50 K51 L52 R54 L88 A92 F115L50-L90 CarbonylContact C-O 3.59Å; L50-L90 HydrophobicContact CB-CD2 3.99Å; L50-L90 HydrophobicContact CD2-CD2 3.88Å; K51-L90 WeakPolarHBondContact CA-O 3.36Å; L52-L90 HydrophobicContact CB-CB 4.43Å; L52-L90 PolarHBondContact N-O 3.43Å; L52-L90 PolarHBondContact O-N 2.89Å; R54-L90 HydrophobicContact CG-CB 4.45Å; L88-L90 PolarHBondContact O-N 2.8Å; L90-A92 HydrophobicContact CD1-CB 4.23Å; L90-A92 HydrophobicContact CD2-CB 4.25Å; L90-A92 HydrophobicContact CG-CB 4.15Å; L90-F115 HydrophobicContact CD2-CD1 3.91Å; L90-F115 HydrophobicContact CD2-CE1 4.1Å; L90-F115 HydrophobicContact CD2-CG 4.39Å
91D85.4Confident77.5Confident110 Ų11085.4 Ų85.459%0.58843%0.432SS*.EExtended strand (participates in β ladder)trans-112.3104165.3-169.1-35.1000108.1H49 L50H49-D91 IonicContact CD2-OD1 3.41Å; H49-D91 PolarHBondContact CD2-OD1 3.09Å; H49-D91 IonicContact CE1-OD1 2.93Å; H49-D91 IonicContact NE2-OD1 3.98Å; H49-D91 PolarHBondContact NE2-OD1 3.29Å; H49-D91 IonicContact NE2-OD2 2.83Å; L50-D91 WeakPolarHBondContact O-CA 3.32Å
92A89.5Confident79.9Confident23 Ų2379.1 Ų79.119%0.1940%0.399CS..EExtended strand (participates in β ladder)trans-144.9143.6-17900000111.5H49 L50 L90 F115H49-A92 CarbonylContact C-O 3.55Å; L50-A92 WeakPolarHBondContact CD1-O 3.47Å; L50-A92 PolarHBondContact N-O 2.86Å; L50-A92 PolarHBondContact O-N 2.88Å; L50-A92 VanDerWaalsContact O-N 3.12Å; L90-A92 HydrophobicContact CD1-CB 4.23Å; L90-A92 HydrophobicContact CD2-CB 4.25Å; L90-A92 HydrophobicContact CG-CB 4.15Å; A92-F115 HydrophobicContact CB-CE1 4.21Å; A92-F115 HydrophobicContact CB-CZ 4.3Å
93I93.4Very high82.2Confident116 Ų11672.9 Ų72.960%0.59538%0.375SS*.EExtended strand (participates in β ladder)trans-103.1121170.8-60.3174.9000108.7K47 V48 H49K47-I93 HydrophobicContact CB-CG2 4.11Å; V48-I93 CarbonylContact O-C 3.48Å; V48-I93 WeakPolarHBondContact O-CA 3.17Å; H49-I93 HydrophobicContact CB-CG1 4.37Å
94K95.2Very high84.4Confident63 Ų6365 Ų6527%0.27435%0.345SS..EExtended strand (participates in β ladder)trans-109.2121.6175.2-167.171-147.9174.20111.2K47 V48 L50 L96 L111 K114 F115K47-K94 WeakPolarHBondContact CA-O 3.37Å; V48-K94 PolarHBondContact N-O 2.92Å; V48-K94 PolarHBondContact O-N 2.6Å; L50-K94 HydrophobicContact CD1-CB 3.81Å; K94-L96 HydrophobicContact CG-CD2 3.75Å; K94-L96 HydrophobicContact CG-CG 4.41Å; K94-L111 HydrophobicContact CB-CD2 3.92Å; K94-L111 HydrophobicContact CG-CD2 3.91Å; K94-K114 HydrophobicContact CD-CD 4.03Å; K94-K114 HydrophobicContact CG-CD 4.31Å; K94-F115 HydrophobicContact CB-CE2 4.08Å; K94-F115 HydrophobicContact CB-CZ 4.2Å; K94-F115 HydrophobicContact CD-CE2 4.18Å; K94-F115 HydrophobicContact CD-CZ 4.1Å; K94-F115 HydrophobicContact CG-CE2 4.17Å; K94-F115 HydrophobicContact CG-CZ 4.44Å
95Q96.4Very high86.8Confident78 Ų7863 Ų6336%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-82.1130.8165.5-170.817420.700110.3F45 I46 K47F45-Q95 HydrophobicContact CB-CG 4.42Å; F45-Q95 HydrophobicContact CD1-CG 4.09Å; I46-Q95 CarbonylContact O-C 3.49Å; I46-Q95 WeakPolarHBondContact O-CA 3.46Å; K47-Q95 HydrophobicContact CG-CB 4.35Å; K47-Q95 HydrophobicContact CG-CG 4.37Å
96L97.6Very high89Confident30 Ų3064.8 Ų64.816%0.15734%0.336CS..EExtended strand (participates in β ladder)trans-121.6137.6179.2-56.7177.1000109.2F45 I46 V48 K94 I98 V107 L111F45-L96 CarbonylContact C-O 3.57Å; F45-L96 VanDerWaalsContact CA-O 3.24Å; F45-L96 WeakPolarHBondContact CA-O 3.33Å; I46-L96 HydrophobicContact CD1-CD1 4.32Å; I46-L96 HydrophobicContact CG1-CB 4.01Å; I46-L96 HydrophobicContact CG1-CD1 4.43Å; I46-L96 PolarHBondContact N-O 2.78Å; I46-L96 PolarHBondContact O-N 2.81Å; V48-L96 HydrophobicContact CG2-CD1 4.13Å; K94-L96 HydrophobicContact CG-CD2 3.75Å; K94-L96 HydrophobicContact CG-CG 4.41Å; L96-I98 HydrophobicContact CB-CG2 3.97Å; L96-V107 HydrophobicContact CD1-CG1 3.93Å; L96-L111 HydrophobicContact CD1-CD1 4.28Å; L96-L111 HydrophobicContact CD1-CD2 4.07Å; L96-L111 HydrophobicContact CD1-CG 4.16Å; L96-L111 HydrophobicContact CD2-CD2 4.01Å; L96-L111 HydrophobicContact CG-CD2 4.43Å
97H97.8Very high91Very high115 Ų11559.2 Ų59.253%0.53231%0.312SS..EExtended strand (participates in β ladder)trans-97.9119.2165.8-176.3-132.4000107.6G44 F45G44-H97 WeakPolarHBondContact O-CA 3.45Å; G44-H97 PolarHBondContact O-CD2 2.83Å; G44-H97 VanDerWaalsContact O-CD2 3.27Å; F45-H97 HydrophobicContact CD1-CB 3.93Å; F45-H97 HydrophobicContact CE1-CB 3.66Å; F45-H97 AromaticContact CE1-CD2 3.88Å; F45-H97 AromaticContact CE1-CG 3.94Å; F45-H97 AromaticContact CE2-CD2 3.94Å; F45-H97 HydrophobicContact CZ-CB 4.32Å; F45-H97 AromaticContact CZ-CD2 3.73Å
98I98.4Very high92.7Very high20 Ų2053.2 Ų53.210%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-137.9167.7-171.760.6168.4000110.9T43 G44 I46 L96 T102 P147 L148T43-I98 VanDerWaalsContact CA-O 3.31Å; T43-I98 WeakPolarHBondContact CA-O 3.31Å; G44-I98 PolarHBondContact N-O 3.34Å; G44-I98 PolarHBondContact O-N 3.42Å; I46-I98 HydrophobicContact CD1-CD1 3.61Å; I46-I98 HydrophobicContact CG1-CD1 3.85Å; I46-I98 HydrophobicContact CG1-CG1 4.36Å; I46-I98 HydrophobicContact CG2-CD1 4.05Å; L96-I98 HydrophobicContact CB-CG2 3.97Å; I98-T102 HydrophobicContact CB-CG2 4.1Å; I98-T102 HydrophobicContact CD1-CG2 4.45Å; I98-T102 HydrophobicContact CG2-CG2 4.11Å; I98-P147 HydrophobicContact CD1-CB 4.36Å; I98-L148 HydrophobicContact CD1-CB 3.84Å; I98-L148 HydrophobicContact CG1-CB 4.05Å; I98-L148 HydrophobicContact CG1-CD1 4.13Å; I98-L148 HydrophobicContact CG1-CD2 4.47Å; I98-L148 HydrophobicContact CG1-CG 4.44Å
99S98.4Very high94.4Very high29 Ų2953 Ų5320%0.20329%0.285CS..EExtended strand (participates in β ladder)trans-96.6166174.169.10000111.8Y42 T101 T102Y42-S99 CarbonylContact O-C 3.58Å; Y42-S99 WeakPolarHBondContact O-CA 3.49Å; S99-T101 PolarHBondContact O-N 2.89Å; S99-T101 PolarHBondContact OG-N 2.73Å; S99-T101 PolarHBondContact OG-OG1 2.87Å; S99-T102 PolarHBondContact N-OG1 2.79Å; S99-T102 VanDerWaalsContact N-OG1 3.1Å; S99-T102 WeakPolarHBondContact O-CB 3.42Å; S99-T102 PolarHBondContact O-N 3.23Å; S99-T102 VanDerWaalsContact O-N 3.13Å; S99-T102 PolarHBondContact O-OG1 3.47Å; S99-T102 PolarHBondContact OG-N 3.42Å; S99-T102 PolarHBondContact OG-OG1 2.89Å
100S97.9Very high95.6Very high13 Ų1350.5 Ų50.59%0.09128%0.276CS..THydrogen-bonded Turntrans-63-21.5172.761.70000112.8Y42 R146Y42-S100 PolarHBondContact N-OG 3.05Å; Y42-S100 PolarHBondContact O-N 3.14Å; S100-R146 WeakPolarHBondContact O-CD 3.36Å; S100-R146 WeakPolarHBondContact O-CG 3.49Å
101T97.6Very high96.3Very high76 Ų7648.7 Ų48.747%0.46627%0.266SS..THydrogen-bonded Turntrans-87.1-15.417753.90000113.5T41 S99 T103T41-T101 HydrophobicContact CG2-CG2 4.23Å; S99-T101 PolarHBondContact O-N 2.89Å; S99-T101 PolarHBondContact OG-N 2.73Å; S99-T101 PolarHBondContact OG-OG1 2.87Å; T101-T103 PolarHBondContact O-N 3Å
102T98.7Very high96.6Very high21 Ų2143.7 Ų43.713%0.12924%0.24CC..  trans-63.1125.1-179-55.90000110.4I98 S99 E106 V107 P147I98-T102 HydrophobicContact CB-CG2 4.1Å; I98-T102 HydrophobicContact CD1-CG2 4.45Å; I98-T102 HydrophobicContact CG2-CG2 4.11Å; S99-T102 PolarHBondContact N-OG1 2.79Å; S99-T102 VanDerWaalsContact N-OG1 3.1Å; S99-T102 WeakPolarHBondContact O-CB 3.42Å; S99-T102 PolarHBondContact O-N 3.23Å; S99-T102 VanDerWaalsContact O-N 3.13Å; S99-T102 PolarHBondContact O-OG1 3.47Å; S99-T102 PolarHBondContact OG-N 3.42Å; S99-T102 PolarHBondContact OG-OG1 2.89Å; T102-E106 HydrophobicContact CG2-CB 4.19Å; T102-V107 HydrophobicContact CG2-CG2 3.93Å; T102-P147 VanDerWaalsContact O-CD 3.31Å; T102-P147 WeakPolarHBondContact O-CD 3.31Å
103T98.7Very high96.7Very high33 Ų3351.1 Ų51.120%0.20227%0.267CS..  trans-89.2161.4-178.662.70000112.5T101 S105 E106 V107 D145T101-T103 PolarHBondContact O-N 3Å; T103-S105 PolarHBondContact O-N 3.13Å; T103-E106 WeakPolarHBondContact CB-OE2 3.39Å; T103-E106 PolarHBondContact N-OE2 3.36Å; T103-E106 PolarHBondContact O-N 3.11Å; T103-E106 WeakPolarHBondContact OG1-CG 3.25Å; T103-E106 PolarHBondContact OG1-N 3.37Å; T103-E106 PolarHBondContact OG1-OE2 3.21Å; T103-V107 WeakPolarHBondContact O-CG2 3.3Å; T103-V107 PolarHBondContact O-N 3.25Å; T103-V107 VanDerWaalsContact O-N 3.12Å; T103-D145 CarbonylContact C-O 3.51Å; T103-D145 VanDerWaalsContact CA-O 3.3Å; T103-D145 WeakPolarHBondContact CA-O 3.33Å
104V98.6Very high96.5Very high0 Ų051.3 Ų51.30%026%0.264CS..Hα-helixtrans-56.2-40.5170.1166.80000111.6E106 V107 I108 L126 L141 S142 I143 D145 P147V104-E106 VanDerWaalsContact C-N 3.35Å; V104-E106 PolarHBondContact O-N 2.78Å; V104-V107 PolarHBondContact O-N 2.94Å; V104-I108 HydrophobicContact CG1-CD1 3.66Å; V104-I108 HydrophobicContact CG1-CG1 4.22Å; V104-I108 WeakPolarHBondContact O-CG1 3.35Å; V104-I108 PolarHBondContact O-N 3.41Å; V104-L126 HydrophobicContact CG1-CB 3.71Å; V104-L126 HydrophobicContact CG1-CD2 4.31Å; V104-L126 HydrophobicContact CG2-CD2 4.17Å; V104-L141 HydrophobicContact CG1-CB 4.5Å; V104-L141 HydrophobicContact CG2-CB 3.85Å; V104-L141 HydrophobicContact CG2-CD1 4.04Å; V104-S142 VanDerWaalsContact CB-O 3.26Å; V104-S142 WeakPolarHBondContact CB-O 3.42Å; V104-S142 WeakPolarHBondContact CG2-O 3.12Å; V104-I143 PolarHBondContact N-O 3.24Å; V104-D145 HydrophobicContact CG2-CB 3.81Å; V104-D145 PolarHBondContact N-O 2.99Å; V104-P147 HydrophobicContact CG2-CG 3.69Å
105S98.1Very high96Very high34 Ų3450.5 Ų50.524%0.23826%0.261CS..Hα-helixtrans-55.4-48.9177.2-172.90000112T103 V107 I108 Q109 I143T103-S105 PolarHBondContact O-N 3.13Å; S105-V107 VanDerWaalsContact C-N 3.34Å; S105-V107 PolarHBondContact O-N 2.64Å; S105-I108 PolarHBondContact O-N 3.49Å; S105-Q109 VanDerWaalsContact O-CG 3.31Å; S105-Q109 WeakPolarHBondContact O-CG 3.26Å; S105-Q109 PolarHBondContact O-N 2.74Å; S105-Q109 PolarHBondContact OG-NE2 2.81Å; S105-I143 PolarHBondContact N-O 2.9Å
106E98.5Very high95.5Very high102 Ų10254.8 Ų54.848%0.47728%0.283SS..Hα-helixtrans-64.7-38.6179.1-69.4165.1110.700111.9T102 T103 V104 G110T102-E106 HydrophobicContact CG2-CB 4.19Å; T103-E106 WeakPolarHBondContact CB-OE2 3.39Å; T103-E106 PolarHBondContact N-OE2 3.36Å; T103-E106 PolarHBondContact O-N 3.11Å; T103-E106 WeakPolarHBondContact OG1-CG 3.25Å; T103-E106 PolarHBondContact OG1-N 3.37Å; T103-E106 PolarHBondContact OG1-OE2 3.21Å; V104-E106 VanDerWaalsContact C-N 3.35Å; V104-E106 PolarHBondContact O-N 2.78Å; E106-G110 PolarHBondContact O-N 2.81Å
107V98.3Very high94.9Very high6 Ų654.2 Ų54.24%0.03628%0.281CS..Hα-helixtrans-62.5-46.8175.2171.40000111.1I46 V48 L96 T102 T103 V104 S105 L111 L126 P147I46-V107 HydrophobicContact CD1-CG2 4.41Å; V48-V107 HydrophobicContact CG2-CG1 4.27Å; L96-V107 HydrophobicContact CD1-CG1 3.93Å; T102-V107 HydrophobicContact CG2-CG2 3.93Å; T103-V107 WeakPolarHBondContact O-CG2 3.3Å; T103-V107 PolarHBondContact O-N 3.25Å; T103-V107 VanDerWaalsContact O-N 3.12Å; V104-V107 PolarHBondContact O-N 2.94Å; S105-V107 VanDerWaalsContact C-N 3.34Å; S105-V107 PolarHBondContact O-N 2.64Å; V107-L111 HydrophobicContact CG1-CD1 3.8Å; V107-L111 HydrophobicContact CG1-CG 4.43Å; V107-L111 WeakPolarHBondContact O-CB 3.13Å; V107-L111 VanDerWaalsContact O-CG 3.23Å; V107-L111 WeakPolarHBondContact O-CG 3.4Å; V107-L111 PolarHBondContact O-N 2.86Å; V107-L126 HydrophobicContact CG1-CD2 4.06Å; V107-P147 HydrophobicContact CG2-CG 4.18Å
108I96.9Very high94.2Very high9 Ų955 Ų555%0.04629%0.293CS..Hα-helixtrans-60-55177.9-66.7168.1000109.5V104 S105 G110 L111 L112 F124 L126 L165V104-I108 HydrophobicContact CG1-CD1 3.66Å; V104-I108 HydrophobicContact CG1-CG1 4.22Å; V104-I108 WeakPolarHBondContact O-CG1 3.35Å; V104-I108 PolarHBondContact O-N 3.41Å; S105-I108 PolarHBondContact O-N 3.49Å; I108-G110 VanDerWaalsContact C-N 3.35Å; I108-G110 PolarHBondContact O-N 2.86Å; I108-L111 PolarHBondContact O-N 3.01Å; I108-L112 HydrophobicContact CG2-CD1 3.74Å; I108-L112 HydrophobicContact CG2-CG 4.22Å; I108-L112 VanDerWaalsContact O-CG 3.28Å; I108-L112 WeakPolarHBondContact O-CG 3.31Å; I108-L112 PolarHBondContact O-N 3.12Å; I108-F124 HydrophobicContact CG2-CB 4.1Å; I108-L126 HydrophobicContact CD1-CB 4.36Å; I108-L126 HydrophobicContact CG1-CB 4.27Å; I108-L165 HydrophobicContact CB-CD1 4.42Å; I108-L165 HydrophobicContact CG1-CD1 3.82Å; I108-L165 HydrophobicContact CG2-CD1 4.26Å
109Q96.2Very high93.6Very high104 Ų10455.8 Ų55.849%0.48630%0.297SS..Hα-helixtrans-59-45.4-178.3-69177.114.600112.2S105 L111 L112 K113 P121S105-Q109 VanDerWaalsContact O-CG 3.31Å; S105-Q109 WeakPolarHBondContact O-CG 3.26Å; S105-Q109 PolarHBondContact O-N 2.74Å; S105-Q109 PolarHBondContact OG-NE2 2.81Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 2.91Å; Q109-L112 PolarHBondContact O-N 2.97Å; Q109-K113 VanDerWaalsContact O-CB 3.31Å; Q109-K113 WeakPolarHBondContact O-CB 3.33Å; Q109-K113 PolarHBondContact O-N 2.73Å; Q109-P121 HydrophobicContact CG-CB 4.48Å
110G95.9Very high93.1Very high40 Ų4058.7 Ų58.741%0.41231%0.311SS..Hα-helixtrans-61.5-41178.600000112.5E106 I108 K114E106-G110 PolarHBondContact O-N 2.81Å; I108-G110 VanDerWaalsContact C-N 3.35Å; I108-G110 PolarHBondContact O-N 2.86Å; G110-K114 WeakPolarHBondContact O-CB 3.35Å; G110-K114 PolarHBondContact O-N 2.85Å
111L95.1Very high92.7Very high1 Ų160.5 Ų60.51%0.00532%0.322CS..Hα-helixtrans-70-46176.8-73.1173.6000112.2V48 L50 K94 L96 V107 I108 Q109 K113 K114 F115 L165V48-L111 HydrophobicContact CB-CD1 3.93Å; V48-L111 HydrophobicContact CG1-CD1 3.63Å; V48-L111 HydrophobicContact CG2-CD1 4.14Å; L50-L111 HydrophobicContact CD1-CD2 4.27Å; L50-L111 HydrophobicContact CD2-CB 4.47Å; K94-L111 HydrophobicContact CB-CD2 3.92Å; K94-L111 HydrophobicContact CG-CD2 3.91Å; L96-L111 HydrophobicContact CD1-CD1 4.28Å; L96-L111 HydrophobicContact CD1-CD2 4.07Å; L96-L111 HydrophobicContact CD1-CG 4.16Å; L96-L111 HydrophobicContact CD2-CD2 4.01Å; L96-L111 HydrophobicContact CG-CD2 4.43Å; V107-L111 HydrophobicContact CG1-CD1 3.8Å; V107-L111 HydrophobicContact CG1-CG 4.43Å; V107-L111 WeakPolarHBondContact O-CB 3.13Å; V107-L111 VanDerWaalsContact O-CG 3.23Å; V107-L111 WeakPolarHBondContact O-CG 3.4Å; V107-L111 PolarHBondContact O-N 2.86Å; I108-L111 PolarHBondContact O-N 3.01Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 2.91Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.09Å; L111-K114 PolarHBondContact O-N 2.93Å; L111-F115 HydrophobicContact CD2-CE2 4.09Å; L111-F115 VanDerWaalsContact O-CD2 3.31Å; L111-F115 WeakPolarHBondContact O-CD2 3.17Å; L111-F115 PolarHBondContact O-N 2.92Å; L111-F115 VanDerWaalsContact O-N 3.13Å; L111-L165 HydrophobicContact CB-CD2 3.95Å; L111-L165 HydrophobicContact CD1-CD2 4.01Å
112L92.3Very high92.4Very high5 Ų563.1 Ų63.13%0.02633%0.329CS..Hα-helixtrans-59.6-47177.9-64.8177.1000110.8L52 I108 Q109 F115 M116 V117 P121 F124 L165L52-L112 HydrophobicContact CD1-CD2 4.11Å; I108-L112 HydrophobicContact CG2-CD1 3.74Å; I108-L112 HydrophobicContact CG2-CG 4.22Å; I108-L112 VanDerWaalsContact O-CG 3.28Å; I108-L112 WeakPolarHBondContact O-CG 3.31Å; I108-L112 PolarHBondContact O-N 3.12Å; Q109-L112 PolarHBondContact O-N 2.97Å; L112-F115 CarbonylContact O-C 3.57Å; L112-F115 PolarHBondContact O-N 2.96Å; L112-M116 PolarHBondContact O-N 3.27Å; L112-V117 HydrophobicContact CB-CB 4.12Å; L112-V117 HydrophobicContact CD2-CB 3.76Å; L112-V117 HydrophobicContact CD2-CG1 3.83Å; L112-V117 HydrophobicContact CD2-CG2 4.06Å; L112-V117 PolarHBondContact O-N 3.04Å; L112-P121 HydrophobicContact CD1-CB 3.94Å; L112-P121 HydrophobicContact CD1-CG 4.19Å; L112-F124 HydrophobicContact CD1-CB 4.49Å; L112-F124 HydrophobicContact CD1-CD2 3.47Å; L112-F124 VanDerWaalsContact CD1-CD2 3.47Å; L112-F124 HydrophobicContact CD1-CE2 3.87Å; L112-F124 HydrophobicContact CD1-CG 4.09Å; L112-F124 HydrophobicContact CD2-CD1 4.03Å; L112-F124 HydrophobicContact CD2-CD2 3.8Å; L112-F124 HydrophobicContact CD2-CE1 4.04Å; L112-F124 HydrophobicContact CD2-CE2 3.81Å; L112-F124 HydrophobicContact CD2-CG 3.9Å; L112-F124 HydrophobicContact CD2-CZ 3.95Å; L112-F124 HydrophobicContact CG-CD2 4.28Å; L112-L165 HydrophobicContact CD2-CD2 4.36Å
113K90.3Very high92Very high178 Ų17867.1 Ų67.177%0.77435%0.345SS*.Hα-helixtrans-60.3-50175.4-177177.2-178.71770112.1Q109 L111 F115 M116Q109-K113 VanDerWaalsContact O-CB 3.31Å; Q109-K113 WeakPolarHBondContact O-CB 3.33Å; Q109-K113 PolarHBondContact O-N 2.73Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.09Å; K113-F115 PolarHBondContact O-N 3.22Å; K113-F115 VanDerWaalsContact O-N 3.1Å; K113-M116 PolarHBondContact O-N 3.43Å
114K89.3Confident91.7Very high120 Ų12066 Ų6652%0.52234%0.337SS..Hα-helixtrans-54.3-35.1-178.1178.3175.7-165.2114.40112.3K94 G110 L111K94-K114 HydrophobicContact CD-CD 4.03Å; K94-K114 HydrophobicContact CG-CD 4.31Å; G110-K114 WeakPolarHBondContact O-CB 3.35Å; G110-K114 PolarHBondContact O-N 2.85Å; L111-K114 PolarHBondContact O-N 2.93Å
115F86.2Confident91.5Very high47 Ų4766.1 Ų66.121%0.20634%0.338CS..THydrogen-bonded Turntrans-110.219-175.7-73-91.3000112.6L50 R54 L90 A92 K94 L111 L112 K113 V117L50-F115 HydrophobicContact CD1-CE2 3.94Å; L50-F115 HydrophobicContact CD1-CZ 4.16Å; L50-F115 HydrophobicContact CD2-CD2 3.49Å; L50-F115 VanDerWaalsContact CD2-CD2 3.49Å; L50-F115 HydrophobicContact CD2-CE2 3.4Å; L50-F115 VanDerWaalsContact CD2-CE2 3.4Å; L50-F115 HydrophobicContact CD2-CG 4.12Å; L50-F115 HydrophobicContact CD2-CZ 3.95Å; L50-F115 HydrophobicContact CG-CE2 4.36Å; R54-F115 VanDerWaalsContact CZ-CB 3.45Å; R54-F115 VanDerWaalsContact NH1-CB 3.31Å; R54-F115 PolarHBondContact NH1-O 3.4Å; L90-F115 HydrophobicContact CD2-CD1 3.91Å; L90-F115 HydrophobicContact CD2-CE1 4.1Å; L90-F115 HydrophobicContact CD2-CG 4.39Å; A92-F115 HydrophobicContact CB-CE1 4.21Å; A92-F115 HydrophobicContact CB-CZ 4.3Å; K94-F115 HydrophobicContact CB-CE2 4.08Å; K94-F115 HydrophobicContact CB-CZ 4.2Å; K94-F115 HydrophobicContact CD-CE2 4.18Å; K94-F115 HydrophobicContact CD-CZ 4.1Å; K94-F115 HydrophobicContact CG-CE2 4.17Å; K94-F115 HydrophobicContact CG-CZ 4.44Å; L111-F115 HydrophobicContact CD2-CE2 4.09Å; L111-F115 VanDerWaalsContact O-CD2 3.31Å; L111-F115 WeakPolarHBondContact O-CD2 3.17Å; L111-F115 PolarHBondContact O-N 2.92Å; L111-F115 VanDerWaalsContact O-N 3.13Å; L112-F115 CarbonylContact O-C 3.57Å; L112-F115 PolarHBondContact O-N 2.96Å; K113-F115 PolarHBondContact O-N 3.22Å; K113-F115 VanDerWaalsContact O-N 3.1Å; F115-V117 VanDerWaalsContact C-N 3.29Å; F115-V117 PolarHBondContact O-N 3.28Å
116M85.3Confident91.5Very high168 Ų16864.5 Ų64.583%0.82833%0.327SS*.THydrogen-bonded Turntrans57.734.4172.5-51.1-177.372.200114.9L112 K113L112-M116 PolarHBondContact O-N 3.27Å; K113-M116 PolarHBondContact O-N 3.43Å
117V84.8Confident91.3Very high18 Ų1860.4 Ų60.411%0.10931%0.307CS..  trans-81.6118.3169.5-175.40000108.2L52 R54 L112 F115 D119 F124L52-V117 HydrophobicContact CD1-CG2 4.14Å; R54-V117 HydrophobicContact CG-CG2 4.27Å; R54-V117 VanDerWaalsContact NE-CG2 3.29Å; L112-V117 HydrophobicContact CB-CB 4.12Å; L112-V117 HydrophobicContact CD2-CB 3.76Å; L112-V117 HydrophobicContact CD2-CG1 3.83Å; L112-V117 HydrophobicContact CD2-CG2 4.06Å; L112-V117 PolarHBondContact O-N 3.04Å; F115-V117 VanDerWaalsContact C-N 3.29Å; F115-V117 PolarHBondContact O-N 3.28Å; V117-D119 HydrophobicContact CG1-CB 4.07Å; V117-F124 HydrophobicContact CG1-CE1 4.44Å; V117-F124 HydrophobicContact CG1-CE2 4.04Å; V117-F124 HydrophobicContact CG1-CZ 3.6Å
118V83.6Confident91.2Very high131 Ų13162.3 Ų62.379%0.79432%0.315SS*.  trans-95.3-6.8-175.4-62.30000113.5
119D86.2Confident91.1Very high36 Ų3664.7 Ų64.719%0.19332%0.324CS..SBendtrans-61.1156.5175.5-78.2-93.2000112.9V117 P121 K123 F124V117-D119 HydrophobicContact CG1-CB 4.07Å; D119-P121 WeakPolarHBondContact O-CD 3.44Å; D119-K123 HydrophobicContact CB-CD 4.33Å; D119-K123 IonicContact OD1-NZ 3.66Å; D119-K123 PolarHBondContact OD1-NZ 3.45Å; D119-F124 HydrophobicContact CB-CE2 3.65Å; D119-F124 HydrophobicContact CB-CZ 3.83Å
120N87Confident90.7Very high91 Ų9161.8 Ų61.849%0.48731%0.311SS..  trans-57.6123.2175.9-178.9-10.2000110.4Q122 K123N120-Q122 PolarHBondContact O-N 3.13Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.43Å; N120-Q122 PolarHBondContact OD1-N 3.24Å; N120-K123 HydrophobicContact CB-CG 4.32Å; N120-K123 VanDerWaalsContact O-CB 3.31Å; N120-K123 WeakPolarHBondContact O-CB 3.38Å; N120-K123 PolarHBondContact O-N 3.1Å
121P89.5Confident90.1Very high50 Ų5063.7 Ų63.733%0.32531%0.309SS..G310 helixtrans-53.3-27.7178.8-28.435.6000114.7Q109 L112 D119 K123 F124Q109-P121 HydrophobicContact CG-CB 4.48Å; L112-P121 HydrophobicContact CD1-CB 3.94Å; L112-P121 HydrophobicContact CD1-CG 4.19Å; D119-P121 WeakPolarHBondContact O-CD 3.44Å; P121-K123 PolarHBondContact O-N 3.04Å; P121-F124 PolarHBondContact O-N 3.38Å
122Q90.2Very high89.2Confident132 Ų13269.4 Ų69.462%0.61733%0.334SS*.G310 helixtrans-66.6-16.4177-64-63.2-28.700113.6N120 F124 N168N120-Q122 PolarHBondContact O-N 3.13Å; N120-Q122 WeakPolarHBondContact OD1-CB 3.43Å; N120-Q122 PolarHBondContact OD1-N 3.24Å; Q122-F124 PolarHBondContact O-N 3.32Å; Q122-N168 PolarHBondContact O-ND2 3.33Å
123K90.4Very high88.5Confident105 Ų10576 Ų7646%0.45737%0.369SS..G310 helixtrans-73-11.8170.6-65.3-173.9-176178.30112.6D119 N120 P121 E167 N168D119-K123 HydrophobicContact CB-CD 4.33Å; D119-K123 IonicContact OD1-NZ 3.66Å; D119-K123 PolarHBondContact OD1-NZ 3.45Å; N120-K123 HydrophobicContact CB-CG 4.32Å; N120-K123 VanDerWaalsContact O-CB 3.31Å; N120-K123 WeakPolarHBondContact O-CB 3.38Å; N120-K123 PolarHBondContact O-N 3.1Å; P121-K123 PolarHBondContact O-N 3.04Å; K123-E167 CarbonylContact O-C 3.41Å; K123-E167 VanDerWaalsContact O-CA 3.31Å; K123-E167 WeakPolarHBondContact O-CA 3.31Å; K123-N168 PolarHBondContact O-N 3.26Å
124F92.9Very high88Confident9 Ų970.5 Ų70.54%0.03936%0.363CS..EExtended strand (participates in β ladder)trans-113.2155.8-175.6-55.6-88.1000111.3L52 I108 L112 V117 D119 P121 Q122 L165 K166 E167L52-F124 HydrophobicContact CD1-CD1 4.49Å; L52-F124 HydrophobicContact CD1-CE1 4.18Å; L52-F124 HydrophobicContact CD2-CD1 3.55Å; L52-F124 HydrophobicContact CD2-CE1 3.65Å; L52-F124 HydrophobicContact CG-CE1 4.4Å; I108-F124 HydrophobicContact CG2-CB 4.1Å; L112-F124 HydrophobicContact CD1-CB 4.49Å; L112-F124 HydrophobicContact CD1-CD2 3.47Å; L112-F124 VanDerWaalsContact CD1-CD2 3.47Å; L112-F124 HydrophobicContact CD1-CE2 3.87Å; L112-F124 HydrophobicContact CD1-CG 4.09Å; L112-F124 HydrophobicContact CD2-CD1 4.03Å; L112-F124 HydrophobicContact CD2-CD2 3.8Å; L112-F124 HydrophobicContact CD2-CE1 4.04Å; L112-F124 HydrophobicContact CD2-CE2 3.81Å; L112-F124 HydrophobicContact CD2-CG 3.9Å; L112-F124 HydrophobicContact CD2-CZ 3.95Å; L112-F124 HydrophobicContact CG-CD2 4.28Å; V117-F124 HydrophobicContact CG1-CE1 4.44Å; V117-F124 HydrophobicContact CG1-CE2 4.04Å; V117-F124 HydrophobicContact CG1-CZ 3.6Å; D119-F124 HydrophobicContact CB-CE2 3.65Å; D119-F124 HydrophobicContact CB-CZ 3.83Å; P121-F124 PolarHBondContact O-N 3.38Å; Q122-F124 PolarHBondContact O-N 3.32Å; F124-L165 HydrophobicContact CB-CD1 4.18Å; F124-K166 CarbonylContact C-O 3.48Å; F124-K166 VanDerWaalsContact CA-O 3.29Å; F124-K166 WeakPolarHBondContact CA-O 3.42Å; F124-E167 HydrophobicContact CD1-CG 3.64Å; F124-E167 HydrophobicContact CE1-CG 3.33Å; F124-E167 HydrophobicContact CZ-CG 4.17Å
125A95.4Very high87.6Confident3 Ų369.5 Ų69.53%0.02536%0.36CS..EExtended strand (participates in β ladder)trans-143.4147.4171.900000111.1F127 K140 K166 N168A125-F127 HydrophobicContact CB-CD2 4.35Å; A125-F127 HydrophobicContact CB-CE2 3.69Å; A125-F127 HydrophobicContact CB-CZ 4.14Å; A125-F127 WeakPolarHBondContact O-CD2 3.46Å; A125-K140 HydrophobicContact CB-CD 3.96Å; A125-K140 HydrophobicContact CB-CG 4.06Å; A125-K166 PolarHBondContact N-O 3.29Å; A125-K166 PolarHBondContact O-N 3.11Å; A125-K166 VanDerWaalsContact O-N 3.09Å; A125-N168 WeakPolarHBondContact CB-OD1 3.43Å
126L96.7Very high87.5Confident0 Ų067.9 Ų67.90%035%0.354CS..EExtended strand (participates in β ladder)trans-91.2128.2169.6-163.368.9000108.6V48 V104 V107 I108 L141 P147 F163 L165V48-L126 HydrophobicContact CG1-CD1 3.64Å; V48-L126 HydrophobicContact CG2-CD1 4.43Å; V104-L126 HydrophobicContact CG1-CB 3.71Å; V104-L126 HydrophobicContact CG1-CD2 4.31Å; V104-L126 HydrophobicContact CG2-CD2 4.17Å; V107-L126 HydrophobicContact CG1-CD2 4.06Å; I108-L126 HydrophobicContact CD1-CB 4.36Å; I108-L126 HydrophobicContact CG1-CB 4.27Å; L126-L141 HydrophobicContact CB-CD1 4.48Å; L126-L141 HydrophobicContact CD2-CD1 4.04Å; L126-L141 HydrophobicContact CG-CD1 4.19Å; L126-L141 WeakPolarHBondContact O-CB 3.24Å; L126-L141 PolarHBondContact O-N 3Å; L126-P147 HydrophobicContact CD2-CG 4.04Å; L126-F163 HydrophobicContact CD1-CB 4.27Å; L126-F163 HydrophobicContact CD2-CD1 4.3Å; L126-L165 HydrophobicContact CD1-CB 4.18Å; L126-L165 HydrophobicContact CD1-CD1 4.48Å
127F95.9Very high87.7Confident16 Ų1661.9 Ų61.97%0.0733%0.325CS..EExtended strand (participates in β ladder)trans-109.7145.9176.2-65.2-101000109.4A125 F138 Q139 K140 F163 V164 K166A125-F127 HydrophobicContact CB-CD2 4.35Å; A125-F127 HydrophobicContact CB-CE2 3.69Å; A125-F127 HydrophobicContact CB-CZ 4.14Å; A125-F127 WeakPolarHBondContact O-CD2 3.46Å; F127-F138 HydrophobicContact CB-CB 4.41Å; F127-F138 HydrophobicContact CB-CD1 4.32Å; F127-F138 HydrophobicContact CD1-CB 4.02Å; F127-F138 HydrophobicContact CG-CB 4.48Å; F127-Q139 CarbonylContact C-O 3.54Å; F127-Q139 VanDerWaalsContact CA-O 3.26Å; F127-Q139 WeakPolarHBondContact CA-O 3.29Å; F127-K140 HydrophobicContact CD1-CB 3.96Å; F127-K140 HydrophobicContact CE1-CB 3.67Å; F127-K140 HydrophobicContact CE1-CG 4.39Å; F127-K140 HydrophobicContact CZ-CB 4.27Å; F127-F163 CarbonylContact O-C 3.58Å; F127-F163 WeakPolarHBondContact O-CA 3.25Å; F127-V164 PolarHBondContact N-O 2.74Å; F127-V164 PolarHBondContact O-N 3.21Å; F127-K166 HydrophobicContact CD2-CB 4.28Å; F127-K166 HydrophobicContact CD2-CG 4.41Å; F127-K166 HydrophobicContact CE2-CB 4.02Å
128K95.1Very high87.9Confident45 Ų4561.9 Ų61.920%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-90.6130.7156.960.4177.4-179.6-178.50109.3Q139 L141 L161 S162K128-Q139 HydrophobicContact CG-CB 3.89Å; K128-Q139 PolarHBondContact N-O 3.02Å; K128-Q139 PolarHBondContact O-N 3.09Å; K128-L141 HydrophobicContact CB-CD2 4.17Å; K128-L141 HydrophobicContact CD-CD2 3.9Å; K128-L141 HydrophobicContact CG-CD2 3.84Å; K128-L161 HydrophobicContact CB-CD1 3.62Å; K128-L161 HydrophobicContact CD-CD1 4.16Å; K128-L161 HydrophobicContact CG-CD1 4.41Å; K128-S162 CarbonylContact C-O 3.58Å; K128-S162 WeakPolarHBondContact CA-O 3.31Å
129R93.9Very high88.4Confident60 Ų6060.1 Ų60.123%0.22631%0.307CS..EExtended strand (participates in β ladder)trans-97.7122.3170.7-175.5-169.886.3-173.80.4108.3V136 L137 F138 E159 S162 V164R129-V136 HydrophobicContact CG-CG1 3.36Å; R129-L137 VanDerWaalsContact CA-O 3.31Å; R129-L137 WeakPolarHBondContact CA-O 3.31Å; R129-F138 HydrophobicContact CB-CD1 4.05Å; R129-F138 HydrophobicContact CB-CE1 3.83Å; R129-F138 HydrophobicContact CB-CZ 4.47Å; R129-F138 HydrophobicContact CG-CD1 4.27Å; R129-F138 HydrophobicContact CG-CE1 3.77Å; R129-F138 HydrophobicContact CG-CE2 4.49Å; R129-F138 HydrophobicContact CG-CZ 3.89Å; R129-E159 IonicContact NH2-OE2 3.65Å; R129-S162 WeakPolarHBondContact CB-OG 3.48Å; R129-S162 VanDerWaalsContact CZ-OG 3.28Å; R129-S162 PolarHBondContact N-O 3.29Å; R129-S162 PolarHBondContact NE-OG 3.29Å; R129-S162 PolarHBondContact NH2-OG 2.76Å; R129-S162 PolarHBondContact O-N 3.04Å; R129-S162 VanDerWaalsContact O-N 3.14Å; R129-V164 HydrophobicContact CB-CG2 4.36Å
130I88.5Confident88.7Confident42 Ų4263.8 Ų63.822%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-128143.618058.3-179.3000109.6L137 L161I130-L137 HydrophobicContact CD1-CB 4.41Å; I130-L137 HydrophobicContact CG1-CB 3.86Å; I130-L137 PolarHBondContact N-O 3.12Å; I130-L137 PolarHBondContact O-N 3.48Å; I130-L161 HydrophobicContact CG2-CD1 3.86Å
131H83Confident89.2Confident81 Ų8159.9 Ų59.938%0.37530%0.3SS..EExtended strand (participates in β ladder)trans-93.2122.2171.1-64.893.9000109Q135 E159H131-Q135 WeakPolarHBondContact CA-O 3.33Å; H131-E159 PolarHBondContact CE1-O 2.95Å; H131-E159 IonicContact CE1-OE2 2.64Å; H131-E159 PolarHBondContact CE1-OE2 2.68Å; H131-E159 PolarHBondContact ND1-O 3.31Å
132K76.9Confident89.5Confident121 Ų12160.5 Ų60.553%0.52631%0.305SS..EExtended strand (participates in β ladder)trans-139.5126.9178.2-172-178.1176-176.50109.5G134 Q135 L137K132-G134 PolarHBondContact O-N 3.24Å; K132-G134 VanDerWaalsContact O-N 3.16Å; K132-Q135 PolarHBondContact N-O 3.22Å; K132-Q135 PolarHBondContact O-N 2.79Å; K132-L137 HydrophobicContact CB-CD1 4.01Å; K132-L137 HydrophobicContact CD-CD1 4.22Å
133D77.7Confident89.8Confident142 Ų14258.8 Ų58.876%0.75930%0.3SS*.THydrogen-bonded Turntrans52.937.2175.8-51.5-38.6000113.8Q135D133-Q135 PolarHBondContact O-N 2.94Å
134G78.7Confident90.2Very high63 Ų6357 Ų5765%0.64930%0.304SS*.THydrogen-bonded Turntrans76.82.9-177.400000115.2K132K132-G134 PolarHBondContact O-N 3.24Å; K132-G134 VanDerWaalsContact O-N 3.16Å
135Q80.9Confident90.4Very high100 Ų10059.4 Ų59.447%0.46732%0.318SS..EExtended strand (participates in β ladder)trans-108.6148.9177.3-61.2-179.350.900111.4H131 K132 D133H131-Q135 WeakPolarHBondContact CA-O 3.33Å; K132-Q135 PolarHBondContact N-O 3.22Å; K132-Q135 PolarHBondContact O-N 2.79Å; D133-Q135 PolarHBondContact O-N 2.94Å
136V85.6Confident90.5Very high12 Ų1265.8 Ų65.87%0.07334%0.341CS..EExtended strand (participates in β ladder)trans-96.7115.3173.7-175.40000108.5R129 F138 G176 D178R129-V136 HydrophobicContact CG-CG1 3.36Å; V136-F138 HydrophobicContact CG1-CE2 3.91Å; V136-F138 HydrophobicContact CG1-CZ 4.2Å; V136-G176 WeakPolarHBondContact CB-O 3.49Å; V136-G176 PolarHBondContact N-O 2.63Å; V136-G176 PolarHBondContact O-N 3.16Å; V136-D178 HydrophobicContact CG2-CB 3.88Å
137L87.8Confident90.6Very high42 Ų4265.8 Ų65.822%0.2234%0.341CS..EExtended strand (participates in β ladder)trans-103.6134.6178.5-59.4176.3000110.5R129 I130 K132 V175R129-L137 VanDerWaalsContact CA-O 3.31Å; R129-L137 WeakPolarHBondContact CA-O 3.31Å; I130-L137 HydrophobicContact CD1-CB 4.41Å; I130-L137 HydrophobicContact CG1-CB 3.86Å; I130-L137 PolarHBondContact N-O 3.12Å; I130-L137 PolarHBondContact O-N 3.48Å; K132-L137 HydrophobicContact CB-CD1 4.01Å; K132-L137 HydrophobicContact CD-CD1 4.22Å; L137-V175 HydrophobicContact CD2-CG1 3.72Å
138F90.8Very high90.7Very high19 Ų1965 Ų658%0.08334%0.337CS..EExtended strand (participates in β ladder)trans-104.3111.2168.2-66.4-90.8000109.6F127 R129 V136 V164 E174F127-F138 HydrophobicContact CB-CB 4.41Å; F127-F138 HydrophobicContact CB-CD1 4.32Å; F127-F138 HydrophobicContact CD1-CB 4.02Å; F127-F138 HydrophobicContact CG-CB 4.48Å; R129-F138 HydrophobicContact CB-CD1 4.05Å; R129-F138 HydrophobicContact CB-CE1 3.83Å; R129-F138 HydrophobicContact CB-CZ 4.47Å; R129-F138 HydrophobicContact CG-CD1 4.27Å; R129-F138 HydrophobicContact CG-CE1 3.77Å; R129-F138 HydrophobicContact CG-CE2 4.49Å; R129-F138 HydrophobicContact CG-CZ 3.89Å; V136-F138 HydrophobicContact CG1-CE2 3.91Å; V136-F138 HydrophobicContact CG1-CZ 4.2Å; F138-V164 HydrophobicContact CD1-CG2 4.45Å; F138-V164 HydrophobicContact CE1-CB 4.3Å; F138-V164 HydrophobicContact CE1-CG2 3.87Å; F138-E174 HydrophobicContact CB-CB 4.27Å; F138-E174 HydrophobicContact CD2-CB 4.35Å; F138-E174 PolarHBondContact N-O 3.43Å
139Q92.3Very high90.8Very high93 Ų9365.6 Ų65.644%0.43534%0.339SS..EExtended strand (participates in β ladder)trans-104.6122.1175.3-176.5178.5-9.600109.9F127 K128 L141F127-Q139 CarbonylContact C-O 3.54Å; F127-Q139 VanDerWaalsContact CA-O 3.26Å; F127-Q139 WeakPolarHBondContact CA-O 3.29Å; K128-Q139 HydrophobicContact CG-CB 3.89Å; K128-Q139 PolarHBondContact N-O 3.02Å; K128-Q139 PolarHBondContact O-N 3.09Å; Q139-L141 PolarHBondContact O-N 2.94Å
140K94.4Very high91Very high113 Ų11364.5 Ų64.549%0.49134%0.337SS..EExtended strand (participates in β ladder)trans-63.1132174.5-178.4165.7174.1169.60109.9A125 F127 N168A125-K140 HydrophobicContact CB-CD 3.96Å; A125-K140 HydrophobicContact CB-CG 4.06Å; F127-K140 HydrophobicContact CD1-CB 3.96Å; F127-K140 HydrophobicContact CE1-CB 3.67Å; F127-K140 HydrophobicContact CE1-CG 4.39Å; F127-K140 HydrophobicContact CZ-CB 4.27Å; K140-N168 PolarHBondContact NZ-OD1 2.86Å
141L96.1Very high91.4Very high9 Ų963 Ų635%0.04733%0.329CS..PPolyproline II helixtrans-88147.8175-61.1176.6000110.6V104 L126 K128 Q139 D145 L150 F163V104-L141 HydrophobicContact CG1-CB 4.5Å; V104-L141 HydrophobicContact CG2-CB 3.85Å; V104-L141 HydrophobicContact CG2-CD1 4.04Å; L126-L141 HydrophobicContact CB-CD1 4.48Å; L126-L141 HydrophobicContact CD2-CD1 4.04Å; L126-L141 HydrophobicContact CG-CD1 4.19Å; L126-L141 WeakPolarHBondContact O-CB 3.24Å; L126-L141 PolarHBondContact O-N 3Å; K128-L141 HydrophobicContact CB-CD2 4.17Å; K128-L141 HydrophobicContact CD-CD2 3.9Å; K128-L141 HydrophobicContact CG-CD2 3.84Å; Q139-L141 PolarHBondContact O-N 2.94Å; L141-D145 HydrophobicContact CB-CB 4.47Å; L141-L150 HydrophobicContact CD1-CD1 3.95Å; L141-L150 HydrophobicContact CD2-CD1 3.57Å; L141-L150 HydrophobicContact CG-CD1 4.41Å; L141-F163 HydrophobicContact CD1-CD1 3.96Å; L141-F163 HydrophobicContact CD1-CE1 3.93Å
142S96.5Very high92.1Very high63 Ų6359.5 Ų59.544%0.44131%0.313SS..PPolyproline II helixtrans-66.9145.8169.7176.30000109.7V104 A144 D145V104-S142 VanDerWaalsContact CB-O 3.26Å; V104-S142 WeakPolarHBondContact CB-O 3.42Å; V104-S142 WeakPolarHBondContact CG2-O 3.12Å; S142-A144 PolarHBondContact O-N 3.03Å; S142-A144 VanDerWaalsContact O-N 3.11Å; S142-A144 PolarHBondContact OG-N 3.41Å; S142-D145 PolarHBondContact N-OD2 3.44Å; S142-D145 WeakPolarHBondContact O-CB 3.15Å; S142-D145 PolarHBondContact O-N 3.22Å
143I96.8Very high93Very high97 Ų9757.1 Ų57.150%0.49731%0.306SS..THydrogen-bonded Turntrans-60.2-22.5176.658.5169.3000113.3V104 S105V104-I143 PolarHBondContact N-O 3.24Å; S105-I143 PolarHBondContact N-O 2.9Å
144A97.4Very high93.8Very high66 Ų6651.5 Ų51.555%0.54528%0.279SS..THydrogen-bonded Turntrans-91.6-7.8178.100000113.6S142S142-A144 PolarHBondContact O-N 3.03Å; S142-A144 VanDerWaalsContact O-N 3.11Å; S142-A144 PolarHBondContact OG-N 3.41Å
145D97.9Very high94.6Very high61 Ų6148.8 Ų48.833%0.32625%0.251SS..  trans-62.8156.9176.7-75.3-26.1000110.8T103 V104 L141 S142 P147T103-D145 CarbonylContact C-O 3.51Å; T103-D145 VanDerWaalsContact CA-O 3.3Å; T103-D145 WeakPolarHBondContact CA-O 3.33Å; V104-D145 HydrophobicContact CG2-CB 3.81Å; V104-D145 PolarHBondContact N-O 2.99Å; L141-D145 HydrophobicContact CB-CB 4.47Å; S142-D145 PolarHBondContact N-OD2 3.44Å; S142-D145 WeakPolarHBondContact O-CB 3.15Å; S142-D145 PolarHBondContact O-N 3.22Å; D145-P147 WeakPolarHBondContact O-CD 3.38Å
146R98.1Very high95.2Very high136 Ų13645 Ų4551%0.51324%0.235SC..  trans-110.3100179.9-72.2165.4176.8140.74.3110.1S100 L148 Y149 L150S100-R146 WeakPolarHBondContact O-CD 3.36Å; S100-R146 WeakPolarHBondContact O-CG 3.49Å; R146-L148 VanDerWaalsContact C-N 3.27Å; R146-L148 PolarHBondContact O-N 2.95Å; R146-Y149 WeakPolarHBondContact O-CB 3.07Å; R146-Y149 PolarHBondContact O-N 3.38Å; R146-L150 PolarHBondContact O-N 2.91Å
147P98.2Very high95.6Very high0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-58.9-35.7-174.9-2938.8000113.8I46 I98 T102 V104 V107 L126 D145 Y149 L150 R151 F163I46-P147 HydrophobicContact CD1-CB 3.88Å; I98-P147 HydrophobicContact CD1-CB 4.36Å; T102-P147 VanDerWaalsContact O-CD 3.31Å; T102-P147 WeakPolarHBondContact O-CD 3.31Å; V104-P147 HydrophobicContact CG2-CG 3.69Å; V107-P147 HydrophobicContact CG2-CG 4.18Å; L126-P147 HydrophobicContact CD2-CG 4.04Å; D145-P147 WeakPolarHBondContact O-CD 3.38Å; P147-Y149 VanDerWaalsContact C-N 3.32Å; P147-Y149 PolarHBondContact O-N 2.84Å; P147-L150 PolarHBondContact O-N 3.3Å; P147-R151 PolarHBondContact O-N 3.12Å; P147-F163 HydrophobicContact CB-CE1 4.17Å; P147-F163 HydrophobicContact CB-CZ 4.12Å; P147-F163 VanDerWaalsContact O-CZ 3.32Å; P147-F163 WeakPolarHBondContact O-CZ 3.17Å
148L98.4Very high95.7Very high0 Ų048.5 Ų48.50%026%0.256CS..Hα-helixtrans-66.2-36.4177.9-166.667.5000112M34 Y42 I46 I98 R146 R151 L152M34-L148 HydrophobicContact CE-CD1 3.8Å; M34-L148 HydrophobicContact CE-CG 4.24Å; M34-L148 HydrophobicContact SD-CD1 4.28Å; M34-L148 HydrophobicContact SD-CG 4.32Å; Y42-L148 HydrophobicContact CD2-CD2 3.67Å; Y42-L148 HydrophobicContact CD2-CG 4.23Å; Y42-L148 HydrophobicContact CE2-CD2 3.78Å; Y42-L148 HydrophobicContact CE2-CG 3.91Å; I46-L148 HydrophobicContact CG2-CD1 4.11Å; I98-L148 HydrophobicContact CD1-CB 3.84Å; I98-L148 HydrophobicContact CG1-CB 4.05Å; I98-L148 HydrophobicContact CG1-CD1 4.13Å; I98-L148 HydrophobicContact CG1-CD2 4.47Å; I98-L148 HydrophobicContact CG1-CG 4.44Å; R146-L148 VanDerWaalsContact C-N 3.27Å; R146-L148 PolarHBondContact O-N 2.95Å; L148-R151 PolarHBondContact O-N 3.02Å; L148-L152 PolarHBondContact O-N 3.24Å
149Y97.6Very high95.5Very high58 Ų5852.4 Ų52.423%0.22727%0.274CS..Hα-helixtrans-64.2-45.4174.8177.3-117.6000111.3P12 I17 Y42 R146 P147 R151 L152 L153P12-Y149 HydrophobicContact CG-CE2 4.02Å; I17-Y149 HydrophobicContact CD1-CE2 4.41Å; Y42-Y149 WeakPolarHBondContact OH-CA 3.44Å; Y42-Y149 WeakPolarHBondContact OH-CB 3.47Å; Y42-Y149 WeakPolarHBondContact OH-CD2 3.39Å; R146-Y149 WeakPolarHBondContact O-CB 3.07Å; R146-Y149 PolarHBondContact O-N 3.38Å; P147-Y149 VanDerWaalsContact C-N 3.32Å; P147-Y149 PolarHBondContact O-N 2.84Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 3.36Å; Y149-L152 WeakPolarHBondContact O-CB 3.38Å; Y149-L152 PolarHBondContact O-N 2.77Å; Y149-L152 VanDerWaalsContact O-N 3.16Å; Y149-L153 HydrophobicContact CD1-CD1 4.17Å; Y149-L153 HydrophobicContact CD2-CG 4.37Å; Y149-L153 HydrophobicContact CE1-CD1 3.58Å; Y149-L153 HydrophobicContact CE1-CG 4.25Å; Y149-L153 HydrophobicContact CE2-CD1 4.18Å; Y149-L153 HydrophobicContact CE2-CD2 3.96Å; Y149-L153 HydrophobicContact CE2-CG 4Å; Y149-L153 WeakPolarHBondContact O-CG 3.43Å; Y149-L153 PolarHBondContact O-N 2.87Å
150L97.3Very high95.4Very high36 Ų3651.3 Ų51.319%0.18827%0.274CS..Hα-helixtrans-59.5-41175-61.5176.6000111.6L141 R146 P147 L153 A154 L161 F163L141-L150 HydrophobicContact CD1-CD1 3.95Å; L141-L150 HydrophobicContact CD2-CD1 3.57Å; L141-L150 HydrophobicContact CG-CD1 4.41Å; R146-L150 PolarHBondContact O-N 2.91Å; P147-L150 PolarHBondContact O-N 3.3Å; L150-L153 PolarHBondContact O-N 3.46Å; L150-A154 WeakPolarHBondContact O-CB 3.44Å; L150-A154 PolarHBondContact O-N 2.87Å; L150-A154 VanDerWaalsContact O-N 3.08Å; L150-L161 HydrophobicContact CB-CD2 4.2Å; L150-L161 WeakPolarHBondContact O-CD2 3.45Å; L150-F163 HydrophobicContact CB-CE1 4.41Å; L150-F163 HydrophobicContact CB-CZ 4.16Å; L150-F163 HydrophobicContact CD1-CE1 4.31Å
151R97.4Very high95.4Very high11 Ų1146.4 Ų46.44%0.04225%0.253CS..Hα-helixtrans-63.2-43.1175.4-178.366.8-75.7179.9-2.1112Y24 M34 I46 P147 L148 Y149 L153 A154 G155 D157 L161 F163Y24-R151 HydrophobicContact CE2-CG 4.07Å; M34-R151 HydrophobicContact CE-CB 4.19Å; M34-R151 HydrophobicContact CE-CG 3.92Å; I46-R151 HydrophobicContact CG2-CB 4.05Å; I46-R151 HydrophobicContact CG2-CG 4.29Å; P147-R151 PolarHBondContact O-N 3.12Å; L148-R151 PolarHBondContact O-N 3.02Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 3.36Å; R151-L153 VanDerWaalsContact C-N 3.35Å; R151-L153 PolarHBondContact O-N 2.68Å; R151-A154 VanDerWaalsContact NH2-CB 3.31Å; R151-A154 PolarHBondContact NH2-O 3.13Å; R151-A154 PolarHBondContact O-N 3.02Å; R151-G155 PolarHBondContact NE-O 3.32Å; R151-G155 PolarHBondContact NH2-O 2.8Å; R151-G155 PolarHBondContact O-N 3.1Å; R151-D157 PolarHBondContact NH1-O 2.93Å; R151-D157 PolarHBondContact NH2-O 3.45Å; R151-L161 PolarHBondContact NH1-O 3.25Å; R151-F163 HydrophobicContact CB-CE2 4.24Å; R151-F163 HydrophobicContact CB-CZ 4.46Å
152L97.1Very high95.4Very high7 Ų746.9 Ų46.94%0.03726%0.257CS..Hα-helixtrans-60.1-45.8177.3178.160000111I17 K20 I21 Y24 M34 Y42 L148 Y149 A154 G155I17-L152 HydrophobicContact CD1-CD2 4.13Å; I17-L152 HydrophobicContact CG2-CD2 4.48Å; K20-L152 HydrophobicContact CB-CD1 3.9Å; K20-L152 HydrophobicContact CB-CD2 4.25Å; K20-L152 HydrophobicContact CB-CG 4.07Å; I21-L152 HydrophobicContact CG1-CD1 3.88Å; I21-L152 HydrophobicContact CG1-CD2 4.18Å; Y24-L152 HydrophobicContact CD2-CD1 4.39Å; Y24-L152 HydrophobicContact CG-CD1 4.49Å; M34-L152 HydrophobicContact CE-CB 3.82Å; M34-L152 HydrophobicContact CE-CD1 4.36Å; M34-L152 HydrophobicContact SD-CB 3.85Å; M34-L152 HydrophobicContact SD-CD1 3.73Å; M34-L152 HydrophobicContact SD-CG 4.23Å; Y42-L152 HydrophobicContact CE1-CD2 4.33Å; Y42-L152 HydrophobicContact CE2-CB 4.46Å; Y42-L152 HydrophobicContact CE2-CD2 3.85Å; L148-L152 PolarHBondContact O-N 3.24Å; Y149-L152 WeakPolarHBondContact O-CB 3.38Å; Y149-L152 PolarHBondContact O-N 2.77Å; Y149-L152 VanDerWaalsContact O-N 3.16Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.36Å; L152-G155 PolarHBondContact O-N 3.32Å
153L95.6Very high95.4Very high72 Ų7244 Ų4438%0.37724%0.237SC..Hα-helixtrans-63.2-37.1178.7-67.3-175000112.8K20 Y149 L150 R151K20-L153 HydrophobicContact CD-CD2 4.02Å; Y149-L153 HydrophobicContact CD1-CD1 4.17Å; Y149-L153 HydrophobicContact CD2-CG 4.37Å; Y149-L153 HydrophobicContact CE1-CD1 3.58Å; Y149-L153 HydrophobicContact CE1-CG 4.25Å; Y149-L153 HydrophobicContact CE2-CD1 4.18Å; Y149-L153 HydrophobicContact CE2-CD2 3.96Å; Y149-L153 HydrophobicContact CE2-CG 4Å; Y149-L153 WeakPolarHBondContact O-CG 3.43Å; Y149-L153 PolarHBondContact O-N 2.87Å; L150-L153 PolarHBondContact O-N 3.46Å; R151-L153 VanDerWaalsContact C-N 3.35Å; R151-L153 PolarHBondContact O-N 2.68Å
154A94.8Very high95.4Very high23 Ų2339.5 Ų39.519%0.1921%0.213CC..Hα-helixtrans-81.7-7.2-179.200000114.4L150 R151 L152 V160 L161L150-A154 WeakPolarHBondContact O-CB 3.44Å; L150-A154 PolarHBondContact O-N 2.87Å; L150-A154 VanDerWaalsContact O-N 3.08Å; R151-A154 VanDerWaalsContact NH2-CB 3.31Å; R151-A154 PolarHBondContact NH2-O 3.13Å; R151-A154 PolarHBondContact O-N 3.02Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.36Å; A154-V160 HydrophobicContact CB-CG1 4.11Å; A154-L161 HydrophobicContact CB-CB 3.62Å; A154-L161 HydrophobicContact CB-CD2 3.7Å; A154-L161 HydrophobicContact CB-CG 4.24Å
155G95.1Very high95.3Very high7 Ų736.3 Ų36.37%0.07219%0.187CC..  trans76.7-168.1-171.500000112.4Y24 R151 L152Y24-G155 VanDerWaalsContact CD2-C 3.48Å; Y24-G155 WeakPolarHBondContact CE2-O 3.23Å; R151-G155 PolarHBondContact NE-O 3.32Å; R151-G155 PolarHBondContact NH2-O 2.8Å; R151-G155 PolarHBondContact O-N 3.1Å; L152-G155 PolarHBondContact O-N 3.32Å
156P95.3Very high95Very high21 Ų2134.7 Ų34.714%0.13618%0.177CC..SBendtrans-85.1-11.4-177.128.7-33.7000115.6Y24 R27 E28 T158Y24-P156 HydrophobicContact CE1-CB 4.03Å; Y24-P156 HydrophobicContact CE2-CB 3.97Å; R27-P156 HydrophobicContact CB-CG 3.59Å; E28-P156 HydrophobicContact CB-CB 4.3Å; E28-P156 WeakPolarHBondContact OE2-CB 3.35Å; P156-T158 PolarHBondContact O-N 2.83Å
157D92.2Very high94.5Very high66 Ų6631.2 Ų31.235%0.35317%0.167SC..  trans-71.1122.9-171.7-169.3-16.4000112.6R151 E159 V160 L161R151-D157 PolarHBondContact NH1-O 2.93Å; R151-D157 PolarHBondContact NH2-O 3.45Å; D157-E159 VanDerWaalsContact C-N 3.32Å; D157-E159 WeakPolarHBondContact OD1-CB 3.28Å; D157-E159 PolarHBondContact OD1-N 3.42Å; D157-V160 HydrophobicContact CB-CB 4.27Å; D157-V160 HydrophobicContact CB-CG2 3.85Å; D157-V160 PolarHBondContact O-N 2.8Å; D157-L161 PolarHBondContact O-N 2.97Å
158T89.6Confident93.7Very high60 Ų6034 Ų3437%0.36818%0.182SC..THydrogen-bonded Turntrans-76.8-17.6179.550.90000113.7P156 L161P156-T158 PolarHBondContact O-N 2.83Å; T158-L161 WeakPolarHBondContact CA-O 3.31Å; T158-L161 CarbonylContact O-C 3.37Å
159E87.6Confident92.1Very high101 Ų10140.4 Ų40.447%0.47221%0.212SC..THydrogen-bonded Turntrans-76-30.7172-59.8-46.4130.700111.3R129 H131 D157R129-E159 IonicContact NH2-OE2 3.65Å; H131-E159 PolarHBondContact CE1-O 2.95Å; H131-E159 IonicContact CE1-OE2 2.64Å; H131-E159 PolarHBondContact CE1-OE2 2.68Å; H131-E159 PolarHBondContact ND1-O 3.31Å; D157-E159 VanDerWaalsContact C-N 3.32Å; D157-E159 WeakPolarHBondContact OD1-CB 3.28Å; D157-E159 PolarHBondContact OD1-N 3.42Å
160V90.8Very high89.7Confident71 Ų7145.3 Ų45.343%0.4325%0.248SC..THydrogen-bonded Turntrans-70.6-44.3172.6177.40000111.2A154 D157A154-V160 HydrophobicContact CB-CG1 4.11Å; D157-V160 HydrophobicContact CB-CB 4.27Å; D157-V160 HydrophobicContact CB-CG2 3.85Å; D157-V160 PolarHBondContact O-N 2.8Å
161L93.9Very high87.2Confident10 Ų1046.5 Ų46.55%0.05227%0.269CS..  trans-148.2127.4-177.8-174.778.4000110.5K128 I130 L150 R151 A154 D157 T158 F163K128-L161 HydrophobicContact CB-CD1 3.62Å; K128-L161 HydrophobicContact CD-CD1 4.16Å; K128-L161 HydrophobicContact CG-CD1 4.41Å; I130-L161 HydrophobicContact CG2-CD1 3.86Å; L150-L161 HydrophobicContact CB-CD2 4.2Å; L150-L161 WeakPolarHBondContact O-CD2 3.45Å; R151-L161 PolarHBondContact NH1-O 3.25Å; A154-L161 HydrophobicContact CB-CB 3.62Å; A154-L161 HydrophobicContact CB-CD2 3.7Å; A154-L161 HydrophobicContact CB-CG 4.24Å; D157-L161 PolarHBondContact O-N 2.97Å; T158-L161 WeakPolarHBondContact CA-O 3.31Å; T158-L161 CarbonylContact O-C 3.37Å; L161-F163 HydrophobicContact CD2-CE1 4.29Å; L161-F163 HydrophobicContact CD2-CE2 4.2Å; L161-F163 HydrophobicContact CD2-CZ 3.71Å; L161-F163 HydrophobicContact CG-CZ 4.41Å
162S95.9Very high84.8Confident18 Ų1855.1 Ų55.113%0.12631%0.31CS..EExtended strand (participates in β ladder)trans-132.8153.6166.548.80000111K128 R129K128-S162 CarbonylContact C-O 3.58Å; K128-S162 WeakPolarHBondContact CA-O 3.31Å; R129-S162 WeakPolarHBondContact CB-OG 3.48Å; R129-S162 VanDerWaalsContact CZ-OG 3.28Å; R129-S162 PolarHBondContact N-O 3.29Å; R129-S162 PolarHBondContact NE-OG 3.29Å; R129-S162 PolarHBondContact NH2-OG 2.76Å; R129-S162 PolarHBondContact O-N 3.04Å; R129-S162 VanDerWaalsContact O-N 3.14Å
163F97.5Very high82.7Confident3 Ų359.3 Ų59.31%0.01334%0.336CS..EExtended strand (participates in β ladder)trans-103.7135.3179.3-61.1-75.2000110.2I46 V48 H49 L126 F127 L141 P147 L150 R151 L161I46-F163 HydrophobicContact CB-CD2 4.16Å; I46-F163 HydrophobicContact CB-CE2 4.15Å; I46-F163 HydrophobicContact CG2-CD2 4.47Å; I46-F163 HydrophobicContact CG2-CE2 3.95Å; V48-F163 CarbonylContact C-O 3.58Å; V48-F163 WeakPolarHBondContact CA-O 3.43Å; V48-F163 HydrophobicContact CB-CB 4.5Å; V48-F163 HydrophobicContact CG1-CB 4.49Å; V48-F163 HydrophobicContact CG2-CB 4.06Å; H49-F163 PolarHBondContact N-O 3.14Å; L126-F163 HydrophobicContact CD1-CB 4.27Å; L126-F163 HydrophobicContact CD2-CD1 4.3Å; F127-F163 CarbonylContact O-C 3.58Å; F127-F163 WeakPolarHBondContact O-CA 3.25Å; L141-F163 HydrophobicContact CD1-CD1 3.96Å; L141-F163 HydrophobicContact CD1-CE1 3.93Å; P147-F163 HydrophobicContact CB-CE1 4.17Å; P147-F163 HydrophobicContact CB-CZ 4.12Å; P147-F163 VanDerWaalsContact O-CZ 3.32Å; P147-F163 WeakPolarHBondContact O-CZ 3.17Å; L150-F163 HydrophobicContact CB-CE1 4.41Å; L150-F163 HydrophobicContact CB-CZ 4.16Å; L150-F163 HydrophobicContact CD1-CE1 4.31Å; R151-F163 HydrophobicContact CB-CE2 4.24Å; R151-F163 HydrophobicContact CB-CZ 4.46Å; L161-F163 HydrophobicContact CD2-CE1 4.29Å; L161-F163 HydrophobicContact CD2-CE2 4.2Å; L161-F163 HydrophobicContact CD2-CZ 3.71Å; L161-F163 HydrophobicContact CG-CZ 4.41Å
164V96Very high81Confident2 Ų258.7 Ų58.71%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-130.6125.6179.7-169.90000109.7H49 K51 F127 R129 F138 K166H49-V164 HydrophobicContact CB-CG1 4.31Å; H49-V164 HydrophobicContact CB-CG2 4.16Å; H49-V164 CarbonylContact O-C 3.43Å; H49-V164 VanDerWaalsContact O-CA 3.25Å; H49-V164 WeakPolarHBondContact O-CA 3.31Å; H49-V164 WeakPolarHBondContact O-CG1 3.13Å; K51-V164 HydrophobicContact CB-CG1 4.46Å; K51-V164 HydrophobicContact CD-CG1 4.21Å; K51-V164 HydrophobicContact CG-CG1 4.19Å; F127-V164 PolarHBondContact N-O 2.74Å; F127-V164 PolarHBondContact O-N 3.21Å; R129-V164 HydrophobicContact CB-CG2 4.36Å; F138-V164 HydrophobicContact CD1-CG2 4.45Å; F138-V164 HydrophobicContact CE1-CB 4.3Å; F138-V164 HydrophobicContact CE1-CG2 3.87Å; V164-K166 HydrophobicContact CG1-CD 4.38Å; V164-K166 HydrophobicContact CG1-CG 3.85Å
165L95.4Very high79.4Confident0 Ų061.9 Ų61.90%035%0.348CS..EExtended strand (participates in β ladder)trans-94.7120173.5-178.469.4000108.6V48 H49 L50 K51 L52 I108 L111 L112 F124 L126V48-L165 HydrophobicContact CG1-CB 3.94Å; H49-L165 PolarHBondContact O-N 2.67Å; L50-L165 HydrophobicContact CD2-CD2 4.28Å; L50-L165 HydrophobicContact CG-CB 4.49Å; L50-L165 HydrophobicContact CG-CD2 4.22Å; K51-L165 PolarHBondContact N-O 3.2Å; L52-L165 HydrophobicContact CD1-CD2 4.22Å; L52-L165 HydrophobicContact CD2-CG 4.22Å; I108-L165 HydrophobicContact CB-CD1 4.42Å; I108-L165 HydrophobicContact CG1-CD1 3.82Å; I108-L165 HydrophobicContact CG2-CD1 4.26Å; L111-L165 HydrophobicContact CB-CD2 3.95Å; L111-L165 HydrophobicContact CD1-CD2 4.01Å; L112-L165 HydrophobicContact CD2-CD2 4.36Å; F124-L165 HydrophobicContact CB-CD1 4.18Å; L126-L165 HydrophobicContact CD1-CB 4.18Å; L126-L165 HydrophobicContact CD1-CD1 4.48Å
166K91.4Very high77.6Confident26 Ų2662.6 Ų62.611%0.11336%0.355CS..EExtended strand (participates in β ladder)trans-131.7164.4178.7-59.7-173.8-177.3-1790110.8K51 F124 A125 F127 V164 E174K51-K166 HydrophobicContact CB-CG 4.34Å; F124-K166 CarbonylContact C-O 3.48Å; F124-K166 VanDerWaalsContact CA-O 3.29Å; F124-K166 WeakPolarHBondContact CA-O 3.42Å; A125-K166 PolarHBondContact N-O 3.29Å; A125-K166 PolarHBondContact O-N 3.11Å; A125-K166 VanDerWaalsContact O-N 3.09Å; F127-K166 HydrophobicContact CD2-CB 4.28Å; F127-K166 HydrophobicContact CD2-CG 4.41Å; F127-K166 HydrophobicContact CE2-CB 4.02Å; V164-K166 HydrophobicContact CG1-CD 4.38Å; V164-K166 HydrophobicContact CG1-CG 3.85Å; K166-E174 IonicContact NZ-OE2 3.49Å; K166-E174 PolarHBondContact NZ-OE2 3.41Å
167E88.1Confident75.4Confident64 Ų6469.6 Ų69.630%0.29939%0.39SS..EExtended strand (participates in β ladder)trans-70.1146.7162.1-71.2167.8-127.700109.6R53 K123 F124 E169R53-E167 PolarHBondContact N-OE1 2.98Å; R53-E167 VanDerWaalsContact N-OE1 3.09Å; K123-E167 CarbonylContact O-C 3.41Å; K123-E167 VanDerWaalsContact O-CA 3.31Å; K123-E167 WeakPolarHBondContact O-CA 3.31Å; F124-E167 HydrophobicContact CD1-CG 3.64Å; F124-E167 HydrophobicContact CE1-CG 3.33Å; F124-E167 HydrophobicContact CZ-CG 4.17Å; E167-E169 PolarHBondContact O-N 3.49Å
168N80.4Confident73.2Confident59 Ų5969.1 Ų69.132%0.31639%0.388SS..  trans-69.994.2172.3-75.6-45.3000107.6Q122 K123 A125 K140Q122-N168 PolarHBondContact O-ND2 3.33Å; K123-N168 PolarHBondContact O-N 3.26Å; A125-N168 WeakPolarHBondContact CB-OD1 3.43Å; K140-N168 PolarHBondContact NZ-OD1 2.86Å
169E65.9Low71.3Confident133 Ų13371.9 Ų71.962%0.62141%0.406SS*.  trans-70.2136.6160.1-62.8-171.6177.800107.3E167 G171E167-E169 PolarHBondContact O-N 3.49Å; E169-G171 VanDerWaalsContact C-N 3.33Å; E169-G171 PolarHBondContact O-N 2.88Å
170T45.9Very low69.5Low161 Ų16174.5 Ų74.599%0.98842%0.423SS*.SBendtrans-6286.1-176.25.70000110.7
171G45.5Very low67.4Low61 Ų6175.1 Ų75.163%0.62943%0.429SS*.SBendtrans163.1130.1174.800000114.1E169E169-G171 VanDerWaalsContact C-N 3.33Å; E169-G171 PolarHBondContact O-N 2.88Å
172E47.2Very low64.8Low193 Ų19383 Ų8390%0.90246%0.463SS*.SBendtrans-67.9139178.9-62.3177.3153.500111.9
173V53.8Low61.8Low95 Ų9588 Ų8858%0.57650%0.495SS*.  trans5794.7172.4-164.20000115.1V175V173-V175 PolarHBondContact O-N 3.48Å
174E59.8Low59.2Low59 Ų5999.2 Ų99.228%0.27654%0.538SS..EExtended strand (participates in β ladder)trans-76.6120.2165.4-74177-169.100110.5F138 K166F138-E174 HydrophobicContact CB-CB 4.27Å; F138-E174 HydrophobicContact CD2-CB 4.35Å; F138-E174 PolarHBondContact N-O 3.43Å; K166-E174 IonicContact NZ-OE2 3.49Å; K166-E174 PolarHBondContact NZ-OE2 3.41Å
175V60.2Low57Low90 Ų90108.7 Ų108.755%0.54560%0.599SS.*EExtended strand (participates in β ladder)trans-89.4111.7167.3-137.50000107.5L137 V173L137-V175 HydrophobicContact CD2-CG1 3.72Å; V173-V175 PolarHBondContact O-N 3.48Å
176G56.8Low55.1Low22 Ų22114.2 Ų114.223%0.22763%0.629CS.*EExtended strand (participates in β ladder)trans-91125.5173.800000110.3V136V136-G176 WeakPolarHBondContact CB-O 3.49Å; V136-G176 PolarHBondContact N-O 2.63Å; V136-G176 PolarHBondContact O-N 3.16Å
177L49.5Very low53.2Low168 Ų168118.8 Ų118.888%0.8866%0.656SS**  trans-75.9123.4162.4-72.8164.5000107.9P179L177-P179 VanDerWaalsContact O-CD 3.25Å; L177-P179 WeakPolarHBondContact O-CD 3.43Å
178D47Very low51.3Low56 Ų56121.8 Ų121.830%0.29968%0.676SS.*  trans-72.5114.9170.1-177.45.1000109V136 L180 C181V136-D178 HydrophobicContact CG2-CB 3.88Å; D178-L180 PolarHBondContact O-N 3.13Å; D178-L180 VanDerWaalsContact O-N 3.13Å; D178-L180 WeakPolarHBondContact OD1-CB 3.48Å; D178-L180 PolarHBondContact OD1-N 3.1Å; D178-C181 HydrophobicContact CB-CB 4.36Å; D178-C181 PolarHBondContact O-N 2.96Å
179P48.3Very low49.6Very low117 Ų117125.5 Ų125.576%0.7670%0.697SS**THydrogen-bonded Turntrans-64.4-14.9177-16.530.8000113.1L177L177-P179 VanDerWaalsContact O-CD 3.25Å; L177-P179 WeakPolarHBondContact O-CD 3.43Å
180L51.2Low48.5Very low157 Ų157125.1 Ų125.182%0.82270%0.702SS**THydrogen-bonded Turntrans-91.6-13.4-177.4-130.678.3000114D178 K182D178-L180 PolarHBondContact O-N 3.13Å; D178-L180 VanDerWaalsContact O-N 3.13Å; D178-L180 WeakPolarHBondContact OD1-CB 3.48Å; D178-L180 PolarHBondContact OD1-N 3.1Å; L180-K182 PolarHBondContact O-N 3.27Å; L180-K182 VanDerWaalsContact O-N 3.08Å
181C46.7Very low48.7Very low83 Ų83122.7 Ų122.756%0.56168%0.683SS**  trans-8565.6170.9-840000110.5D178D178-C181 HydrophobicContact CB-CB 4.36Å; D178-C181 PolarHBondContact O-N 2.96Å
182K37.6Very low48.9Very low176 Ų176127.1 Ų127.177%0.76569%0.687SS**PPolyproline II helixtrans-69.6133.7160.2-69.7-167.5179-174.80108.2L180 R184L180-K182 PolarHBondContact O-N 3.27Å; L180-K182 VanDerWaalsContact O-N 3.08Å; K182-R184 PolarHBondContact O-N 3.06Å; K182-R184 VanDerWaalsContact O-N 3.17Å
183P33.7Very low49.1Very low122 Ų122122 Ų12279%0.79267%0.67SS**PPolyproline II helixtrans-57.8125.517023.9-29.8000107.7
184R43.3Very low48.7Very low240 Ų240124.3 Ų124.391%0.90668%0.678SS**PPolyproline II helixtrans-65135.3166-87.6-176.1-87.6-141.6-4.9107.5K182K182-R184 PolarHBondContact O-N 3.06Å; K182-R184 VanDerWaalsContact O-N 3.17Å
185P50.2Low47.7Very low201 Ų201130.2 Ų130.2100%1.30572%0.715SS**  trans-61.60-178.927.4-34.6000112.2

Retrieved 185 of 185 residues in 127.8 ms (Link to these results)

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