A0A3Q0KEJ2_SCHMA Loading...

PB1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KEJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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
1M36.8Very low64Low227 Ų227110.2 Ų110.2100%1.11858%0.579SS**  0107.80-74.3-175.4152.400108.1H3M1-H3 PolarHBondContact O-N 2.94Å
2S41.7Very low66.3Low120 Ų120104.7 Ų104.784%0.83955%0.547SS*.  trans-76.2111175.359.70000108.2S4S2-S4 VanDerWaalsContact C-N 3.27Å; S2-S4 PolarHBondContact O-N 2.9Å
3H46.4Very low68.3Low178 Ų17896.7 Ų96.782%0.82451%0.505SS*.  trans-68.594165.8-70-78.1000107M1 K5M1-H3 PolarHBondContact O-N 2.94Å; H3-K5 VanDerWaalsContact C-N 3.27Å; H3-K5 PolarHBondContact O-N 3.45Å
4S53.5Low70.1Confident106 Ų10693.2 Ų93.274%0.74148%0.484SS*.  trans-61.697.4166.849.30000107S2 K6S2-S4 VanDerWaalsContact C-N 3.27Å; S2-S4 PolarHBondContact O-N 2.9Å; S4-K6 PolarHBondContact O-N 2.83Å
5K58.3Low71.6Confident206 Ų20687 Ų8790%0.89645%0.452SS*.  trans-54.3110177.8-136.6174.1-175.8177.70106.1H3 S7H3-K5 VanDerWaalsContact C-N 3.27Å; H3-K5 PolarHBondContact O-N 3.45Å; K5-S7 PolarHBondContact O-N 3.34Å; K5-S7 VanDerWaalsContact O-N 3.07Å
6K59.9Low72.8Confident176 Ų17686.1 Ų86.177%0.76545%0.445SS*.  trans-50.9121.3176.7-71.8-178.7179.41790107.2S4 I8S4-K6 PolarHBondContact O-N 2.83Å; K6-I8 PolarHBondContact O-N 3.15Å; K6-I8 VanDerWaalsContact O-N 3.09Å
7S68.4Low73.5Confident80 Ų8081.5 Ų81.556%0.55942%0.421SS*.  trans-60.7115.4178.455.90000108.4K5K5-S7 PolarHBondContact O-N 3.34Å; K5-S7 VanDerWaalsContact O-N 3.07Å
8I79Confident73.9Confident103 Ų10379.8 Ų79.853%0.52842%0.416SS..PPolyproline II helixtrans-89.2122.1175.1-59.4174.7000106.9K6 M29K6-I8 PolarHBondContact O-N 3.15Å; K6-I8 VanDerWaalsContact O-N 3.09Å; I8-M29 HydrophobicContact CB-CE 4.48Å; I8-M29 HydrophobicContact CG2-CB 4.09Å; I8-M29 HydrophobicContact CG2-CE 3.65Å
9L84Confident74Confident6 Ų682.8 Ų82.83%0.03143%0.432CS..EExtended strand (participates in β ladder)trans-78.9122.3169.817768.4000108.4V11 T30 I32 L37 V80 V93L9-V11 HydrophobicContact CD1-CG2 4.4Å; L9-V11 HydrophobicContact CD2-CG2 3.94Å; L9-V11 HydrophobicContact CG-CG2 3.84Å; L9-T30 HydrophobicContact CB-CG2 4.21Å; L9-T30 HydrophobicContact CD2-CG2 4.44Å; L9-T30 PolarHBondContact N-O 3.05Å; L9-T30 PolarHBondContact O-N 3.43Å; L9-I32 WeakPolarHBondContact CB-O 3.45Å; L9-L37 HydrophobicContact CD2-CD1 3.96Å; L9-L37 HydrophobicContact CD2-CD2 4.37Å; L9-V80 HydrophobicContact CD1-CG1 3.96Å; L9-V93 HydrophobicContact CD1-CG2 3.94Å
10S87.7Confident73.9Confident9 Ų982.3 Ų82.36%0.06343%0.43CS..EExtended strand (participates in β ladder)trans-102.2116.4171.9179.70000109.2M29 C92 V93S10-M29 WeakPolarHBondContact CB-SD 3.22Å; S10-M29 PolarHBondContact OG-SD 3.12Å; S10-C92 VanDerWaalsContact O-CA 3.29Å; S10-C92 WeakPolarHBondContact O-CA 3.43Å; S10-C92 WeakPolarHBondContact O-CB 3.34Å; S10-C92 VanDerWaalsContact OG-CB 3.28Å; S10-C92 WeakPolarHBondContact OG-CB 3.38Å; S10-V93 PolarHBondContact O-N 3.5Å
11V88.3Confident73.7Confident1 Ų186.9 Ų86.91%0.00645%0.449CS..EExtended strand (participates in β ladder)trans-114.7124.5174.2-170.80000108.9L9 F13 R27 W28 V93 L95L9-V11 HydrophobicContact CD1-CG2 4.4Å; L9-V11 HydrophobicContact CD2-CG2 3.94Å; L9-V11 HydrophobicContact CG-CG2 3.84Å; V11-F13 HydrophobicContact CB-CE2 4.01Å; V11-F13 HydrophobicContact CB-CZ 4.15Å; V11-F13 HydrophobicContact CG1-CD1 4.41Å; V11-F13 HydrophobicContact CG1-CD2 4.29Å; V11-F13 HydrophobicContact CG1-CE1 3.89Å; V11-F13 HydrophobicContact CG1-CE2 3.74Å; V11-F13 HydrophobicContact CG1-CZ 3.53Å; V11-R27 CarbonylContact O-C 3.55Å; V11-R27 WeakPolarHBondContact O-CA 3.22Å; V11-W28 PolarHBondContact N-O 3.1Å; V11-W28 PolarHBondContact O-N 3.03Å; V11-V93 CarbonylContact C-O 3.54Å; V11-V93 WeakPolarHBondContact CA-O 3.29Å; V11-V93 HydrophobicContact CG1-CB 4.34Å; V11-V93 HydrophobicContact CG1-CG1 4.33Å; V11-V93 HydrophobicContact CG2-CB 4.34Å; V11-L95 HydrophobicContact CG1-CD1 3.76Å; V11-L95 HydrophobicContact CG1-CG 4.12Å
12K91.5Very high75.5Confident44 Ų4481.3 Ų81.319%0.19142%0.423CS..EExtended strand (participates in β ladder)trans-107.1115.4176.7-171.1177.1-178-179.90109F14 V25 Y26 C92 V93 R94 L95K12-F14 HydrophobicContact CB-CE2 4.44Å; K12-F14 HydrophobicContact CD-CE1 4.39Å; K12-F14 HydrophobicContact CD-CE2 3.97Å; K12-F14 HydrophobicContact CD-CZ 3.62Å; K12-F14 VanDerWaalsContact CE-CZ 3.49Å; K12-F14 HydrophobicContact CG-CE2 3.94Å; K12-F14 HydrophobicContact CG-CZ 4.02Å; K12-V25 HydrophobicContact CD-CG1 4.3Å; K12-V25 HydrophobicContact CG-CG1 4.06Å; K12-Y26 CarbonylContact C-O 3.52Å; K12-Y26 WeakPolarHBondContact CA-O 3.23Å; K12-C92 VanDerWaalsContact CB-SG 3.59Å; K12-V93 PolarHBondContact N-O 3.39Å; K12-R94 WeakPolarHBondContact O-CA 3.45Å; K12-L95 PolarHBondContact O-N 3.33Å
13F93Very high77.4Confident1 Ų181.7 Ų81.70%0.00441%0.412CS..EExtended strand (participates in β ladder)trans-95.4128.7176.6-57.6-85.3000109.6V11 I15 V25 Y26 W28 I42 L46 L95 V97V11-F13 HydrophobicContact CB-CE2 4.01Å; V11-F13 HydrophobicContact CB-CZ 4.15Å; V11-F13 HydrophobicContact CG1-CD1 4.41Å; V11-F13 HydrophobicContact CG1-CD2 4.29Å; V11-F13 HydrophobicContact CG1-CE1 3.89Å; V11-F13 HydrophobicContact CG1-CE2 3.74Å; V11-F13 HydrophobicContact CG1-CZ 3.53Å; F13-I15 HydrophobicContact CB-CD1 4.19Å; F13-I15 HydrophobicContact CB-CG1 3.86Å; F13-V25 WeakPolarHBondContact O-CA 3.4Å; F13-Y26 AromaticContact CD2-CD1 3.86Å; F13-Y26 HydrophobicContact CD2-CD1 3.86Å; F13-Y26 HydrophobicContact CE2-CD1 4.38Å; F13-Y26 PolarHBondContact N-O 3.06Å; F13-Y26 PolarHBondContact O-N 3.47Å; F13-W28 HydrophobicContact CD2-CB 4.46Å; F13-W28 HydrophobicContact CE2-CB 3.8Å; F13-W28 HydrophobicContact CE2-CE3 4.2Å; F13-W28 HydrophobicContact CZ-CE3 4.24Å; F13-I42 HydrophobicContact CE1-CD1 4.3Å; F13-I42 HydrophobicContact CE1-CG2 3.95Å; F13-I42 HydrophobicContact CZ-CD1 3.79Å; F13-I42 HydrophobicContact CZ-CG2 4.21Å; F13-L46 HydrophobicContact CB-CD2 4.32Å; F13-L46 HydrophobicContact CD1-CD2 3.83Å; F13-L46 HydrophobicContact CE1-CD2 4.25Å; F13-L46 HydrophobicContact CG-CD2 4.02Å; F13-L95 CarbonylContact C-O 3.57Å; F13-L95 WeakPolarHBondContact CA-O 3.48Å; F13-L95 HydrophobicContact CD1-CB 4.1Å; F13-L95 HydrophobicContact CD1-CD1 4.22Å; F13-L95 HydrophobicContact CE1-CB 4.47Å; F13-L95 HydrophobicContact CE1-CD1 3.75Å; F13-V97 HydrophobicContact CB-CG2 4.2Å; F13-V97 HydrophobicContact CD1-CG2 3.77Å; F13-V97 HydrophobicContact CG-CG2 4.47Å
14F93.2Very high79.3Confident48 Ų4876.1 Ų76.121%0.21139%0.387CS..EExtended strand (participates in β ladder)trans-104.995.4169.3-61-93.3000107.2K12 V25 R94 L95 V97K12-F14 HydrophobicContact CB-CE2 4.44Å; K12-F14 HydrophobicContact CD-CE1 4.39Å; K12-F14 HydrophobicContact CD-CE2 3.97Å; K12-F14 HydrophobicContact CD-CZ 3.62Å; K12-F14 VanDerWaalsContact CE-CZ 3.49Å; K12-F14 HydrophobicContact CG-CE2 3.94Å; K12-F14 HydrophobicContact CG-CZ 4.02Å; F14-V25 HydrophobicContact CD1-CG1 4.39Å; F14-V25 HydrophobicContact CD1-CG2 3.87Å; F14-V25 HydrophobicContact CE1-CG1 4.29Å; F14-V25 HydrophobicContact CE1-CG2 4.26Å; F14-R94 HydrophobicContact CE2-CB 3.98Å; F14-R94 HydrophobicContact CE2-CG 4.04Å; F14-L95 PolarHBondContact N-O 2.9Å; F14-V97 PolarHBondContact O-N 2.9Å
15I92.3Very high81.1Confident0 Ų074.8 Ų74.80%038%0.375CS..EExtended strand (participates in β ladder)trans-96.8120.4-170.2-49.6167.4000109.1F13 H23 I24 L46 V49 T50 V97F13-I15 HydrophobicContact CB-CD1 4.19Å; F13-I15 HydrophobicContact CB-CG1 3.86Å; I15-H23 WeakPolarHBondContact O-CA 3.25Å; I15-I24 HydrophobicContact CB-CB 4.18Å; I15-I24 WeakPolarHBondContact CB-O 3.33Å; I15-I24 HydrophobicContact CD1-CG2 4.39Å; I15-I24 PolarHBondContact N-O 3.24Å; I15-I24 PolarHBondContact O-N 3.28Å; I15-L46 HydrophobicContact CD1-CD2 3.73Å; I15-L46 HydrophobicContact CG1-CD2 4.09Å; I15-V49 HydrophobicContact CD1-CG1 4.14Å; I15-T50 HydrophobicContact CD1-CG2 4.13Å; I15-T50 HydrophobicContact CG2-CG2 3.96Å; I15-V97 CarbonylContact C-O 3.57Å; I15-V97 WeakPolarHBondContact CA-O 3.42Å; I15-V97 HydrophobicContact CB-CB 4.4Å; I15-V97 HydrophobicContact CG1-CB 4.1Å; I15-V97 HydrophobicContact CG1-CG2 4.34Å; I15-V97 HydrophobicContact CG2-CB 4.42Å; I15-V97 HydrophobicContact CG2-CG1 4.41Å
16Q90.3Very high82.7Confident73 Ų7367.9 Ų67.934%0.34134%0.343SS..EExtended strand (participates in β ladder)trans-95.5120172.1-175.1177.12.800109.4V97 A99Q16-V97 PolarHBondContact N-O 2.96Å; Q16-A99 PolarHBondContact O-N 2.73Å
17D85Confident84.2Confident7 Ų764.8 Ų64.84%0.03733%0.327CS..PPolyproline II helixtrans-79.4132.6172.6-164.2-30.6000109.6L19 N20 K52 Y54D17-L19 VanDerWaalsContact C-N 3.27Å; D17-L19 PolarHBondContact O-N 2.75Å; D17-L19 PolarHBondContact OD1-N 3.13Å; D17-N20 HydrophobicContact CB-CB 4.21Å; D17-K52 IonicContact OD1-NZ 3.75Å; D17-K52 IonicContact OD2-NZ 3.1Å; D17-K52 PolarHBondContact OD2-NZ 2.9Å; D17-Y54 PolarHBondContact OD1-OH 2.91Å; D17-Y54 PolarHBondContact OD2-OH 3.09Å
18P80.3Confident85.2Confident52 Ų5262.8 Ų62.834%0.33831%0.307SS..SBendtrans-69-22.4176.826.4-37.1000113.8Y54 A99 P101P18-Y54 HydrophobicContact CG-CD1 4.37Å; P18-Y54 HydrophobicContact CG-CE1 3.82Å; P18-A99 WeakPolarHBondContact CD-O 3.45Å; P18-A99 WeakPolarHBondContact CG-O 3.46Å; P18-P101 HydrophobicContact CB-CB 4.36Å; P18-P101 HydrophobicContact CB-CG 4.08Å; P18-P101 HydrophobicContact CG-CB 3.96Å; P18-P101 HydrophobicContact CG-CG 4.15Å
19L77.5Confident85.6Confident137 Ų13762.7 Ų62.772%0.71731%0.306SS*.SBendtrans-100.6-22-175.5-63.5176.5000113.5D17D17-L19 VanDerWaalsContact C-N 3.27Å; D17-L19 PolarHBondContact O-N 2.75Å; D17-L19 PolarHBondContact OD1-N 3.13Å
20N72Confident85.5Confident71 Ų7163 Ų6338%0.3831%0.308SS..SBendtrans-122.5135.7-180-66.4-2.8000108D17 D22D17-N20 HydrophobicContact CB-CB 4.21Å; N20-D22 HydrophobicContact CB-CB 4.23Å; N20-D22 PolarHBondContact O-N 3.46Å
21H69.5Low85.2Confident179 Ų17967.3 Ų67.383%0.82934%0.335SS*.SBendtrans-69.15.8170.8-62.9-67.5000113.3
22D72.9Confident84.8Confident110 Ų11069.2 Ų69.259%0.58835%0.345SS*.PPolyproline II helixtrans-73.8133.1176.5-64.3-31.5000110.9N20N20-D22 HydrophobicContact CB-CB 4.23Å; N20-D22 PolarHBondContact O-N 3.46Å
23H82.3Confident84.2Confident128 Ų12870 Ų7059%0.59335%0.354SS*.EExtended strand (participates in β ladder)trans-95.7120.7170.8-62.8-69.3000109.7I15I15-H23 WeakPolarHBondContact O-CA 3.25Å
24I87.5Confident83.5Confident61 Ų6171.5 Ų71.531%0.31336%0.361SS..EExtended strand (participates in β ladder)trans-90.6117.5172.6-59169000107.8I15I15-I24 HydrophobicContact CB-CB 4.18Å; I15-I24 WeakPolarHBondContact CB-O 3.33Å; I15-I24 HydrophobicContact CD1-CG2 4.39Å; I15-I24 PolarHBondContact N-O 3.24Å; I15-I24 PolarHBondContact O-N 3.28Å
25V91.4Very high82.9Confident79 Ų7979.3 Ų79.348%0.47939%0.39SS..EExtended strand (participates in β ladder)trans-100115.1173-177.60000109.2K12 F13 F14K12-V25 HydrophobicContact CD-CG1 4.3Å; K12-V25 HydrophobicContact CG-CG1 4.06Å; F13-V25 WeakPolarHBondContact O-CA 3.4Å; F14-V25 HydrophobicContact CD1-CG1 4.39Å; F14-V25 HydrophobicContact CD1-CG2 3.87Å; F14-V25 HydrophobicContact CE1-CG1 4.29Å; F14-V25 HydrophobicContact CE1-CG2 4.26Å
26Y92Very high82.5Confident61 Ų6184.9 Ų84.924%0.23942%0.415CS..EExtended strand (participates in β ladder)trans-120.2126.2179.7-179.9-109.4000111.3K12 F13 W28 K45 V49K12-Y26 CarbonylContact C-O 3.52Å; K12-Y26 WeakPolarHBondContact CA-O 3.23Å; F13-Y26 AromaticContact CD2-CD1 3.86Å; F13-Y26 HydrophobicContact CD2-CD1 3.86Å; F13-Y26 HydrophobicContact CE2-CD1 4.38Å; F13-Y26 PolarHBondContact N-O 3.06Å; F13-Y26 PolarHBondContact O-N 3.47Å; Y26-W28 HydrophobicContact CD1-CB 4.29Å; Y26-W28 HydrophobicContact CE1-CB 3.69Å; Y26-W28 HydrophobicContact CE1-CG 4.21Å; Y26-K45 HydrophobicContact CE1-CG 4.35Å; Y26-K45 WeakPolarHBondContact OH-CE 3.46Å; Y26-K45 PolarHBondContact OH-NZ 3.35Å; Y26-V49 HydrophobicContact CD1-CB 4.37Å; Y26-V49 HydrophobicContact CD1-CG1 4.06Å; Y26-V49 HydrophobicContact CD1-CG2 3.52Å; Y26-V49 HydrophobicContact CD2-CG1 3.78Å; Y26-V49 HydrophobicContact CD2-CG2 3.92Å; Y26-V49 HydrophobicContact CE1-CG2 3.38Å; Y26-V49 HydrophobicContact CE2-CG1 4.44Å; Y26-V49 HydrophobicContact CE2-CG2 3.81Å; Y26-V49 HydrophobicContact CG-CB 4.33Å; Y26-V49 HydrophobicContact CG-CG1 3.57Å; Y26-V49 HydrophobicContact CG-CG2 3.79Å
27R91.4Very high82.2Confident111 Ų11181.4 Ų81.442%0.41940%0.399SS..EExtended strand (participates in β ladder)trans-102.1116172.7-175.9177.4-79.7-158.8-4.5110V11 M29 D90V11-R27 CarbonylContact O-C 3.55Å; V11-R27 WeakPolarHBondContact O-CA 3.22Å; R27-M29 HydrophobicContact CG-CG 4.4Å; R27-M29 HydrophobicContact CG-SD 4.11Å; R27-D90 IonicContact NH2-OD2 2.84Å; R27-D90 PolarHBondContact NH2-OD2 3.38Å
28W88.5Confident82.5Confident38 Ų3883.2 Ų83.214%0.14441%0.409CS..EExtended strand (participates in β ladder)trans-97.1114.3172.6-169.225.2000110.8V11 F13 Y26 T30 L37 I42 K45V11-W28 PolarHBondContact N-O 3.1Å; V11-W28 PolarHBondContact O-N 3.03Å; F13-W28 HydrophobicContact CD2-CB 4.46Å; F13-W28 HydrophobicContact CE2-CB 3.8Å; F13-W28 HydrophobicContact CE2-CE3 4.2Å; F13-W28 HydrophobicContact CZ-CE3 4.24Å; Y26-W28 HydrophobicContact CD1-CB 4.29Å; Y26-W28 HydrophobicContact CE1-CB 3.69Å; Y26-W28 HydrophobicContact CE1-CG 4.21Å; W28-T30 HydrophobicContact CD2-CG2 4.13Å; W28-T30 HydrophobicContact CE3-CG2 4.31Å; W28-T30 HydrophobicContact CH2-CG2 4.44Å; W28-T30 HydrophobicContact CZ2-CG2 4.24Å; W28-T30 HydrophobicContact CZ3-CG2 4.44Å; W28-L37 HydrophobicContact CZ3-CD1 4.38Å; W28-I42 HydrophobicContact CE3-CD1 3.98Å; W28-I42 HydrophobicContact CZ3-CD1 3.49Å; W28-I42 VanDerWaalsContact CZ3-CD1 3.49Å; W28-I42 HydrophobicContact CZ3-CG1 4.33Å; W28-K45 HydrophobicContact CD2-CG 4.14Å; W28-K45 HydrophobicContact CE3-CG 4.43Å; W28-K45 HydrophobicContact CG-CG 4.47Å
29M87.5Confident83Confident100 Ų10082.6 Ų82.649%0.49340%0.4SS..EExtended strand (participates in β ladder)trans-99.8118.2171.7-58.8-65.9-70.800108.1I8 S10 R27I8-M29 HydrophobicContact CB-CE 4.48Å; I8-M29 HydrophobicContact CG2-CB 4.09Å; I8-M29 HydrophobicContact CG2-CE 3.65Å; S10-M29 WeakPolarHBondContact CB-SD 3.22Å; S10-M29 PolarHBondContact OG-SD 3.12Å; R27-M29 HydrophobicContact CG-CG 4.4Å; R27-M29 HydrophobicContact CG-SD 4.11Å
30T82.5Confident83.6Confident12 Ų1281.6 Ų81.67%0.07440%0.395CS..EExtended strand (participates in β ladder)trans-134132.1-177.2177.60000111.2L9 W28 I32L9-T30 HydrophobicContact CB-CG2 4.21Å; L9-T30 HydrophobicContact CD2-CG2 4.44Å; L9-T30 PolarHBondContact N-O 3.05Å; L9-T30 PolarHBondContact O-N 3.43Å; W28-T30 HydrophobicContact CD2-CG2 4.13Å; W28-T30 HydrophobicContact CE3-CG2 4.31Å; W28-T30 HydrophobicContact CH2-CG2 4.44Å; W28-T30 HydrophobicContact CZ2-CG2 4.24Å; W28-T30 HydrophobicContact CZ3-CG2 4.44Å; T30-I32 HydrophobicContact CG2-CD1 3.78Å; T30-I32 HydrophobicContact CG2-CG1 3.57Å; T30-I32 PolarHBondContact O-N 3.02Å; T30-I32 WeakPolarHBondContact OG1-CG1 3.16Å; T30-I32 WeakPolarHBondContact OG1-CG2 3.3Å
31P81Confident84.4Confident100 Ų10083.8 Ų83.865%0.64940%0.401SS*.SBendtrans-79.642.5-179.736.4-37.4000111.3
32I79.9Confident85.5Confident41 Ų4175.3 Ų75.321%0.2136%0.362CS..  trans-112.7144.8178.269.2-178.9000109.7L9 T30 H36 L37L9-I32 WeakPolarHBondContact CB-O 3.45Å; T30-I32 HydrophobicContact CG2-CD1 3.78Å; T30-I32 HydrophobicContact CG2-CG1 3.57Å; T30-I32 PolarHBondContact O-N 3.02Å; T30-I32 WeakPolarHBondContact OG1-CG1 3.16Å; T30-I32 WeakPolarHBondContact OG1-CG2 3.3Å; I32-H36 HydrophobicContact CB-CB 4.13Å; I32-L37 HydrophobicContact CD1-CD1 3.94Å
33T78.3Confident86.3Confident61 Ų6171.6 Ų71.637%0.37434%0.342SS..  trans-79.1159.9168.962.60000110.3R35 H36T33-R35 PolarHBondContact O-N 2.83Å; T33-H36 PolarHBondContact O-N 2.98Å; T33-H36 PolarHBondContact OG1-CE1 2.71Å; T33-H36 VanDerWaalsContact OG1-CE1 3.24Å; T33-H36 PolarHBondContact OG1-ND1 3.14Å
34I78.5Confident86.7Confident32 Ų3272.2 Ų72.216%0.16435%0.345CS..G310 helixtrans-49.9-38.8-179.9-49.7173000112.1H36 L37 R77 V80 E81 Q84I34-H36 PolarHBondContact O-N 3.34Å; I34-H36 VanDerWaalsContact O-N 3.13Å; I34-L37 WeakPolarHBondContact O-CB 3.49Å; I34-L37 PolarHBondContact O-N 3.11Å; I34-R77 HydrophobicContact CG2-CB 4.12Å; I34-R77 HydrophobicContact CG2-CG 4.26Å; I34-R77 WeakPolarHBondContact CG2-O 3.35Å; I34-V80 HydrophobicContact CB-CG1 4.28Å; I34-V80 HydrophobicContact CD1-CG1 3.98Å; I34-V80 HydrophobicContact CG1-CG1 3.71Å; I34-V80 HydrophobicContact CG2-CB 4.07Å; I34-V80 HydrophobicContact CG2-CG1 3.75Å; I34-E81 HydrophobicContact CD1-CB 4.26Å; I34-Q84 VanDerWaalsContact CD1-CD 3.5Å; I34-Q84 HydrophobicContact CD1-CG 4.49Å
35R80.6Confident86.9Confident213 Ų21371.5 Ų71.580%0.80434%0.34SS*.G310 helixtrans-58.1-25.8178.9-61.9-176.9-178.5-178.1-0114.4T33 R77T33-R35 PolarHBondContact O-N 2.83Å; R35-R77 VanDerWaalsContact O-CZ 3.22Å; R35-R77 PolarHBondContact O-NE 3Å; R35-R77 PolarHBondContact O-NH2 3.48Å
36H82.8Confident86.9Confident116 Ų11667.8 Ų67.854%0.53732%0.317SS..G310 helixtrans-96.5-1.8-179.9-57.7108.8000113I32 T33 I34I32-H36 HydrophobicContact CB-CB 4.13Å; T33-H36 PolarHBondContact O-N 2.98Å; T33-H36 PolarHBondContact OG1-CE1 2.71Å; T33-H36 VanDerWaalsContact OG1-CE1 3.24Å; T33-H36 PolarHBondContact OG1-ND1 3.14Å; I34-H36 PolarHBondContact O-N 3.34Å; I34-H36 VanDerWaalsContact O-N 3.13Å
37L85Confident86.8Confident1 Ų167.7 Ų67.71%0.00532%0.319CS..  trans-68.8132.2174.5-159.467.7000108.7L9 W28 I32 I34 I42 T73 L76 R77 V80L9-L37 HydrophobicContact CD2-CD1 3.96Å; L9-L37 HydrophobicContact CD2-CD2 4.37Å; W28-L37 HydrophobicContact CZ3-CD1 4.38Å; I32-L37 HydrophobicContact CD1-CD1 3.94Å; I34-L37 WeakPolarHBondContact O-CB 3.49Å; I34-L37 PolarHBondContact O-N 3.11Å; L37-I42 HydrophobicContact CD1-CD1 3.96Å; L37-I42 HydrophobicContact CD1-CG1 4.39Å; L37-T73 WeakPolarHBondContact O-CG2 3.46Å; L37-L76 HydrophobicContact CD2-CD1 4.07Å; L37-L76 HydrophobicContact CD2-CD2 3.6Å; L37-L76 HydrophobicContact CD2-CG 3.56Å; L37-L76 HydrophobicContact CG-CD2 3.69Å; L37-L76 HydrophobicContact CG-CG 4.21Å; L37-R77 HydrophobicContact CB-CG 4.41Å; L37-R77 VanDerWaalsContact O-CZ 3.3Å; L37-R77 PolarHBondContact O-NE 2.88Å; L37-R77 PolarHBondContact O-NH2 2.99Å; L37-V80 HydrophobicContact CD2-CB 4.46Å; L37-V80 HydrophobicContact CD2-CG2 3.68Å
38D90.3Very high86.8Confident45 Ų4570.7 Ų70.724%0.24133%0.331CS..  trans-137.8136.2-173.2-174.8-98.5000109.3D40 K41 I42D38-D40 PolarHBondContact O-N 3.11Å; D38-D40 PolarHBondContact OD1-N 3.33Å; D38-D40 VanDerWaalsContact OD1-N 3.12Å; D38-K41 HydrophobicContact CB-CB 4.32Å; D38-K41 HydrophobicContact CB-CD 4.06Å; D38-K41 HydrophobicContact CB-CG 4.08Å; D38-K41 PolarHBondContact O-N 3.35Å; D38-K41 PolarHBondContact OD1-N 3.29Å; D38-I42 WeakPolarHBondContact O-CG1 3.27Å; D38-I42 PolarHBondContact O-N 3.08Å
39W91.1Very high86.8Confident39 Ų3970.3 Ų70.315%0.14833%0.333CS..Hα-helixtrans-60.4-45.4-175.4-174.2-95.9000111.8K41 I42 I43 M59 L70 T73 L76W39-K41 VanDerWaalsContact C-N 3.3Å; W39-K41 PolarHBondContact O-N 3.17Å; W39-I42 WeakPolarHBondContact O-CB 3.05Å; W39-I42 PolarHBondContact O-N 3.49Å; W39-I43 HydrophobicContact CG-CG1 4.47Å; W39-I43 HydrophobicContact CZ2-CD1 4.27Å; W39-I43 WeakPolarHBondContact O-CG1 3.38Å; W39-I43 PolarHBondContact O-N 3.01Å; W39-M59 HydrophobicContact CD2-CE 4.07Å; W39-M59 HydrophobicContact CE3-CE 3.85Å; W39-M59 HydrophobicContact CH2-CB 4.09Å; W39-M59 HydrophobicContact CH2-CE 3.13Å; W39-M59 HydrophobicContact CH2-CG 4.37Å; W39-M59 HydrophobicContact CH2-SD 4.34Å; W39-M59 HydrophobicContact CZ2-CE 3.38Å; W39-M59 HydrophobicContact CZ3-CE 3.38Å; W39-M59 HydrophobicContact CZ3-SD 4.5Å; W39-L70 HydrophobicContact CH2-CB 3.94Å; W39-L70 WeakPolarHBondContact CH2-O 3.2Å; W39-L70 HydrophobicContact CZ3-CB 3.67Å; W39-T73 VanDerWaalsContact CB-OG1 3.22Å; W39-T73 WeakPolarHBondContact CB-OG1 3.02Å; W39-T73 PolarHBondContact N-OG1 2.85Å; W39-L76 HydrophobicContact CE3-CB 4.22Å; W39-L76 HydrophobicContact CE3-CD2 4.31Å; W39-L76 HydrophobicContact CZ3-CB 4.46Å
40D91Very high86.8Confident116 Ų11666 Ų6662%0.6231%0.313SS*.Hα-helixtrans-65.3-38-176.4-63.1-28.4000111D38 I42 I43 E44D38-D40 PolarHBondContact O-N 3.11Å; D38-D40 PolarHBondContact OD1-N 3.33Å; D38-D40 VanDerWaalsContact OD1-N 3.12Å; D40-I42 VanDerWaalsContact C-N 3.32Å; D40-I42 PolarHBondContact O-N 2.71Å; D40-I43 PolarHBondContact O-N 2.73Å; D40-E44 WeakPolarHBondContact O-CB 3.32Å; D40-E44 PolarHBondContact O-N 3.4Å
41K89.4Confident86.9Confident117 Ų11770.8 Ų70.851%0.50935%0.346SS..Hα-helixtrans-63.4-35.7173.7-65.5-176-176173.90112.9D38 W39 K45D38-K41 HydrophobicContact CB-CB 4.32Å; D38-K41 HydrophobicContact CB-CD 4.06Å; D38-K41 HydrophobicContact CB-CG 4.08Å; D38-K41 PolarHBondContact O-N 3.35Å; D38-K41 PolarHBondContact OD1-N 3.29Å; W39-K41 VanDerWaalsContact C-N 3.3Å; W39-K41 PolarHBondContact O-N 3.17Å; K41-K45 VanDerWaalsContact O-CB 3.3Å; K41-K45 WeakPolarHBondContact O-CB 3.49Å; K41-K45 PolarHBondContact O-N 2.85Å
42I90.9Very high86.9Confident0 Ų069.7 Ų69.70%033%0.331CS..Hα-helixtrans-68-46.5175.8-66.8-86.8000109.8F13 W28 L37 D38 W39 D40 K45 L46 M59 L76F13-I42 HydrophobicContact CE1-CD1 4.3Å; F13-I42 HydrophobicContact CE1-CG2 3.95Å; F13-I42 HydrophobicContact CZ-CD1 3.79Å; F13-I42 HydrophobicContact CZ-CG2 4.21Å; W28-I42 HydrophobicContact CE3-CD1 3.98Å; W28-I42 HydrophobicContact CZ3-CD1 3.49Å; W28-I42 VanDerWaalsContact CZ3-CD1 3.49Å; W28-I42 HydrophobicContact CZ3-CG1 4.33Å; L37-I42 HydrophobicContact CD1-CD1 3.96Å; L37-I42 HydrophobicContact CD1-CG1 4.39Å; D38-I42 WeakPolarHBondContact O-CG1 3.27Å; D38-I42 PolarHBondContact O-N 3.08Å; W39-I42 WeakPolarHBondContact O-CB 3.05Å; W39-I42 PolarHBondContact O-N 3.49Å; D40-I42 VanDerWaalsContact C-N 3.32Å; D40-I42 PolarHBondContact O-N 2.71Å; I42-K45 WeakPolarHBondContact O-CB 3.36Å; I42-K45 PolarHBondContact O-N 3.01Å; I42-K45 VanDerWaalsContact O-N 3.17Å; I42-L46 HydrophobicContact CG2-CD1 3.99Å; I42-L46 HydrophobicContact CG2-CG 4.42Å; I42-L46 WeakPolarHBondContact O-CG 3.39Å; I42-L46 PolarHBondContact O-N 2.73Å; I42-M59 HydrophobicContact CG2-CE 3.62Å; I42-M59 HydrophobicContact CG2-SD 3.7Å; I42-L76 HydrophobicContact CD1-CD2 4.36Å; I42-L76 HydrophobicContact CG1-CD2 3.78Å
43I91.5Very high87Confident32 Ų3276.4 Ų76.416%0.16436%0.359CS..Hα-helixtrans-61.6-45.4178.7-63.7-64.7000110.8W39 D40 K45 L46 H47 F57 M59W39-I43 HydrophobicContact CG-CG1 4.47Å; W39-I43 HydrophobicContact CZ2-CD1 4.27Å; W39-I43 WeakPolarHBondContact O-CG1 3.38Å; W39-I43 PolarHBondContact O-N 3.01Å; D40-I43 PolarHBondContact O-N 2.73Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 3.17Å; I43-L46 PolarHBondContact O-N 2.95Å; I43-H47 PolarHBondContact O-CD2 2.96Å; I43-H47 PolarHBondContact O-N 3.29Å; I43-F57 HydrophobicContact CD1-CB 4.15Å; I43-F57 HydrophobicContact CD1-CD2 3.97Å; I43-F57 HydrophobicContact CG2-CD2 4.26Å; I43-M59 HydrophobicContact CD1-CE 3.66Å; I43-M59 HydrophobicContact CG1-CE 4.44Å
44E90.1Very high87.3Confident142 Ų14274.4 Ų74.466%0.66435%0.345SS*.Hα-helixtrans-57.5-44.8173.6-173.6-175.3-17700111.1D40 L46 H47 Y48D40-E44 WeakPolarHBondContact O-CB 3.32Å; D40-E44 PolarHBondContact O-N 3.4Å; E44-L46 VanDerWaalsContact C-N 3.35Å; E44-L46 PolarHBondContact O-N 3.33Å; E44-H47 PolarHBondContact O-N 3.42Å; E44-Y48 WeakPolarHBondContact O-CB 3.3Å; E44-Y48 PolarHBondContact O-N 3.05Å
45K90.5Very high87.7Confident46 Ų4676.3 Ų76.320%0.236%0.361CS..Hα-helixtrans-63.5-39.2178-169.861.9177.1175.20112.3Y26 W28 K41 I42 I43 Y48 V49Y26-K45 HydrophobicContact CE1-CG 4.35Å; Y26-K45 WeakPolarHBondContact OH-CE 3.46Å; Y26-K45 PolarHBondContact OH-NZ 3.35Å; W28-K45 HydrophobicContact CD2-CG 4.14Å; W28-K45 HydrophobicContact CE3-CG 4.43Å; W28-K45 HydrophobicContact CG-CG 4.47Å; K41-K45 VanDerWaalsContact O-CB 3.3Å; K41-K45 WeakPolarHBondContact O-CB 3.49Å; K41-K45 PolarHBondContact O-N 2.85Å; I42-K45 WeakPolarHBondContact O-CB 3.36Å; I42-K45 PolarHBondContact O-N 3.01Å; I42-K45 VanDerWaalsContact O-N 3.17Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 3.17Å; K45-Y48 WeakPolarHBondContact O-CB 3.5Å; K45-Y48 PolarHBondContact O-N 3.41Å; K45-V49 HydrophobicContact CG-CG2 4.44Å; K45-V49 WeakPolarHBondContact O-CB 3.35Å; K45-V49 WeakPolarHBondContact O-CG2 3.26Å; K45-V49 PolarHBondContact O-N 2.98Å
46L91.7Very high88.1Confident1 Ų166.9 Ų66.91%0.00533%0.33CS..Hα-helixtrans-66.9-40.7177.1-72.6170.1000111.8F13 I15 I42 I43 E44 Y48 V49 T50 F57 M59 V97F13-L46 HydrophobicContact CB-CD2 4.32Å; F13-L46 HydrophobicContact CD1-CD2 3.83Å; F13-L46 HydrophobicContact CE1-CD2 4.25Å; F13-L46 HydrophobicContact CG-CD2 4.02Å; I15-L46 HydrophobicContact CD1-CD2 3.73Å; I15-L46 HydrophobicContact CG1-CD2 4.09Å; I42-L46 HydrophobicContact CG2-CD1 3.99Å; I42-L46 HydrophobicContact CG2-CG 4.42Å; I42-L46 WeakPolarHBondContact O-CG 3.39Å; I42-L46 PolarHBondContact O-N 2.73Å; I43-L46 PolarHBondContact O-N 2.95Å; E44-L46 VanDerWaalsContact C-N 3.35Å; E44-L46 PolarHBondContact O-N 3.33Å; L46-Y48 VanDerWaalsContact C-N 3.34Å; L46-Y48 PolarHBondContact O-N 3.4Å; L46-V49 PolarHBondContact O-N 3.08Å; L46-T50 WeakPolarHBondContact O-CB 3.16Å; L46-T50 VanDerWaalsContact O-CG2 3.3Å; L46-T50 WeakPolarHBondContact O-CG2 3.32Å; L46-T50 PolarHBondContact O-N 3.41Å; L46-T50 PolarHBondContact O-OG1 2.89Å; L46-F57 HydrophobicContact CB-CD1 4.32Å; L46-F57 HydrophobicContact CB-CD2 3.88Å; L46-F57 HydrophobicContact CB-CE1 4.01Å; L46-F57 HydrophobicContact CB-CE2 3.52Å; L46-F57 HydrophobicContact CB-CG 4.26Å; L46-F57 HydrophobicContact CB-CZ 3.6Å; L46-F57 HydrophobicContact CD1-CB 4.15Å; L46-F57 HydrophobicContact CD1-CD1 4.32Å; L46-F57 HydrophobicContact CD1-CD2 4.02Å; L46-F57 HydrophobicContact CD1-CG 3.91Å; L46-M59 HydrophobicContact CD1-CE 4.27Å; L46-M59 HydrophobicContact CD1-SD 3.82Å; L46-V97 HydrophobicContact CD1-CG1 3.91Å; L46-V97 HydrophobicContact CD1-CG2 4.41Å; L46-V97 HydrophobicContact CD2-CG1 4.25Å; L46-V97 HydrophobicContact CD2-CG2 4.2Å
47H91Very high88.5Confident59 Ų5962.1 Ų62.127%0.27331%0.308SS..Hα-helixtrans-61.5-42.2171.5-80.8-57.9000112.2I43 E44 T50 S51 K52 Y54 F57I43-H47 PolarHBondContact O-CD2 2.96Å; I43-H47 PolarHBondContact O-N 3.29Å; E44-H47 PolarHBondContact O-N 3.42Å; H47-T50 PolarHBondContact O-OG1 2.93Å; H47-S51 PolarHBondContact O-N 3.37Å; H47-S51 VanDerWaalsContact O-N 3.14Å; H47-K52 PolarHBondContact ND1-O 3.14Å; H47-Y54 PolarHBondContact CE1-O 2.77Å; H47-F57 AromaticContact CD2-CE2 3.69Å; H47-F57 AromaticContact CE1-CE2 3.56Å; H47-F57 AromaticContact CE1-CZ 3.95Å; H47-F57 AromaticContact CG-CE2 3.77Å; H47-F57 AromaticContact ND1-CE2 3.71Å; H47-F57 AromaticContact ND1-CZ 3.8Å; H47-F57 AromaticContact NE2-CE2 3.56Å
48Y90.4Very high88.9Confident173 Ų17366.6 Ų66.668%0.67833%0.329SS*.Hα-helixtrans-61.3-48.1176.7176.7-93.4000111.9E44 K45 L46 S51E44-Y48 WeakPolarHBondContact O-CB 3.3Å; E44-Y48 PolarHBondContact O-N 3.05Å; K45-Y48 WeakPolarHBondContact O-CB 3.5Å; K45-Y48 PolarHBondContact O-N 3.41Å; L46-Y48 VanDerWaalsContact C-N 3.34Å; L46-Y48 PolarHBondContact O-N 3.4Å; Y48-S51 PolarHBondContact O-N 3.22Å
49V89.5Confident89Confident31 Ų3164.4 Ų64.419%0.18832%0.317CS..Hα-helixtrans-67.7-40.9-176.9169.90000112I15 Y26 K45 L46 S51I15-V49 HydrophobicContact CD1-CG1 4.14Å; Y26-V49 HydrophobicContact CD1-CB 4.37Å; Y26-V49 HydrophobicContact CD1-CG1 4.06Å; Y26-V49 HydrophobicContact CD1-CG2 3.52Å; Y26-V49 HydrophobicContact CD2-CG1 3.78Å; Y26-V49 HydrophobicContact CD2-CG2 3.92Å; Y26-V49 HydrophobicContact CE1-CG2 3.38Å; Y26-V49 HydrophobicContact CE2-CG1 4.44Å; Y26-V49 HydrophobicContact CE2-CG2 3.81Å; Y26-V49 HydrophobicContact CG-CB 4.33Å; Y26-V49 HydrophobicContact CG-CG1 3.57Å; Y26-V49 HydrophobicContact CG-CG2 3.79Å; K45-V49 HydrophobicContact CG-CG2 4.44Å; K45-V49 WeakPolarHBondContact O-CB 3.35Å; K45-V49 WeakPolarHBondContact O-CG2 3.26Å; K45-V49 PolarHBondContact O-N 2.98Å; L46-V49 PolarHBondContact O-N 3.08Å; V49-S51 VanDerWaalsContact C-N 3.29Å; V49-S51 PolarHBondContact O-N 3.06Å
50T86.9Confident89.1Confident9 Ų963.4 Ų63.46%0.05532%0.315CS..Hα-helixtrans-77-17.3-178.256.10000113.1I15 L46 H47 K52 Y54 F57I15-T50 HydrophobicContact CD1-CG2 4.13Å; I15-T50 HydrophobicContact CG2-CG2 3.96Å; L46-T50 WeakPolarHBondContact O-CB 3.16Å; L46-T50 VanDerWaalsContact O-CG2 3.3Å; L46-T50 WeakPolarHBondContact O-CG2 3.32Å; L46-T50 PolarHBondContact O-N 3.41Å; L46-T50 PolarHBondContact O-OG1 2.89Å; H47-T50 PolarHBondContact O-OG1 2.93Å; T50-K52 WeakPolarHBondContact O-CG 3.43Å; T50-K52 PolarHBondContact O-N 2.79Å; T50-Y54 HydrophobicContact CG2-CE2 3.96Å; T50-F57 HydrophobicContact CG2-CE1 4.29Å
51S84.4Confident89.1Confident112 Ų11258 Ų5878%0.78329%0.286SS*.  trans52.919.8-174-60.70000113.8H47 Y48 V49H47-S51 PolarHBondContact O-N 3.37Å; H47-S51 VanDerWaalsContact O-N 3.14Å; Y48-S51 PolarHBondContact O-N 3.22Å; V49-S51 VanDerWaalsContact C-N 3.29Å; V49-S51 PolarHBondContact O-N 3.06Å
52K81.5Confident89.1Confident77 Ų7758.2 Ų58.234%0.33529%0.285SS..SBendtrans-123.2141.2-174.4-76.7178.3177.4-172.50110.7D17 H47 T50 Y54D17-K52 IonicContact OD1-NZ 3.75Å; D17-K52 IonicContact OD2-NZ 3.1Å; D17-K52 PolarHBondContact OD2-NZ 2.9Å; H47-K52 PolarHBondContact ND1-O 3.14Å; T50-K52 WeakPolarHBondContact O-CG 3.43Å; T50-K52 PolarHBondContact O-N 2.79Å; K52-Y54 VanDerWaalsContact C-N 3.35Å; K52-Y54 HydrophobicContact CB-CD2 3.96Å; K52-Y54 HydrophobicContact CB-CE1 4.32Å; K52-Y54 HydrophobicContact CB-CE2 3.48Å; K52-Y54 VanDerWaalsContact CB-CE2 3.48Å; K52-Y54 HydrophobicContact CD-CE1 4.4Å; K52-Y54 HydrophobicContact CD-CE2 4.21Å; K52-Y54 WeakPolarHBondContact CD-OH 3.11Å; K52-Y54 HydrophobicContact CG-CE2 4.45Å; K52-Y54 PolarHBondContact O-N 3.16Å; K52-Y54 VanDerWaalsContact O-N 3.14Å
53K81.1Confident88.8Confident182 Ų18258.4 Ų58.479%0.79129%0.286SS*.  trans-86.973.7177.7-67.8-172.9179.71800110.7K102K53-K102 VanDerWaalsContact O-CB 3.32Å; K53-K102 WeakPolarHBondContact O-CB 3.48Å
54Y85.1Confident88.4Confident19 Ų1958.3 Ų58.38%0.07529%0.292CS..  trans-69.3161.1169.4-64-61.2000111.7D17 P18 H47 T50 K52 G56 F57 A99 I100D17-Y54 PolarHBondContact OD1-OH 2.91Å; D17-Y54 PolarHBondContact OD2-OH 3.09Å; P18-Y54 HydrophobicContact CG-CD1 4.37Å; P18-Y54 HydrophobicContact CG-CE1 3.82Å; H47-Y54 PolarHBondContact CE1-O 2.77Å; T50-Y54 HydrophobicContact CG2-CE2 3.96Å; K52-Y54 VanDerWaalsContact C-N 3.35Å; K52-Y54 HydrophobicContact CB-CD2 3.96Å; K52-Y54 HydrophobicContact CB-CE1 4.32Å; K52-Y54 HydrophobicContact CB-CE2 3.48Å; K52-Y54 VanDerWaalsContact CB-CE2 3.48Å; K52-Y54 HydrophobicContact CD-CE1 4.4Å; K52-Y54 HydrophobicContact CD-CE2 4.21Å; K52-Y54 WeakPolarHBondContact CD-OH 3.11Å; K52-Y54 HydrophobicContact CG-CE2 4.45Å; K52-Y54 PolarHBondContact O-N 3.16Å; K52-Y54 VanDerWaalsContact O-N 3.14Å; Y54-G56 VanDerWaalsContact C-N 3.34Å; Y54-F57 AromaticContact CD2-CE1 3.63Å; Y54-F57 HydrophobicContact CD2-CE1 3.63Å; Y54-F57 AromaticContact CD2-CZ 3.74Å; Y54-F57 HydrophobicContact CD2-CZ 3.74Å; Y54-F57 HydrophobicContact CE2-CE1 4.22Å; Y54-F57 HydrophobicContact CG-CE1 4.36Å; Y54-F57 HydrophobicContact CG-CZ 4.48Å; Y54-A99 HydrophobicContact CD1-CB 3.77Å; Y54-A99 HydrophobicContact CD2-CB 3.69Å; Y54-A99 HydrophobicContact CE1-CB 3.71Å; Y54-A99 HydrophobicContact CE2-CB 3.58Å; Y54-A99 HydrophobicContact CG-CB 3.76Å; Y54-I100 WeakPolarHBondContact CA-O 3.47Å; Y54-I100 VanDerWaalsContact CB-O 3.26Å; Y54-I100 WeakPolarHBondContact CB-O 3.49Å
55S87.3Confident88.2Confident72 Ų7258.5 Ų58.550%0.50329%0.291SS..SBendtrans-76.9-26.7170.551.80000111.9I100 P101S55-I100 PolarHBondContact N-O 3.08Å; S55-I100 WeakPolarHBondContact OG-CB 3.38Å; S55-I100 WeakPolarHBondContact OG-CG2 3.33Å; S55-I100 PolarHBondContact OG-O 3.06Å; S55-I100 VanDerWaalsContact OG-O 3.06Å; S55-P101 PolarHBondContact OG-O 2.75Å
56G89.3Confident88Confident15 Ų1561.7 Ų61.716%0.15531%0.306CS..EExtended strand (participates in β ladder)trans176.4-168.8178.200000111.6Y54 I100Y54-G56 VanDerWaalsContact C-N 3.34Å; G56-I100 PolarHBondContact O-N 3.33Å
57F91.4Very high87.7Confident16 Ų1665 Ų657%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-137.6133.5179.3-59.8-82.7000109.8I43 L46 H47 T50 Y54 V97 R98 A99I43-F57 HydrophobicContact CD1-CB 4.15Å; I43-F57 HydrophobicContact CD1-CD2 3.97Å; I43-F57 HydrophobicContact CG2-CD2 4.26Å; L46-F57 HydrophobicContact CB-CD1 4.32Å; L46-F57 HydrophobicContact CB-CD2 3.88Å; L46-F57 HydrophobicContact CB-CE1 4.01Å; L46-F57 HydrophobicContact CB-CE2 3.52Å; L46-F57 HydrophobicContact CB-CG 4.26Å; L46-F57 HydrophobicContact CB-CZ 3.6Å; L46-F57 HydrophobicContact CD1-CB 4.15Å; L46-F57 HydrophobicContact CD1-CD1 4.32Å; L46-F57 HydrophobicContact CD1-CD2 4.02Å; L46-F57 HydrophobicContact CD1-CG 3.91Å; H47-F57 AromaticContact CD2-CE2 3.69Å; H47-F57 AromaticContact CE1-CE2 3.56Å; H47-F57 AromaticContact CE1-CZ 3.95Å; H47-F57 AromaticContact CG-CE2 3.77Å; H47-F57 AromaticContact ND1-CE2 3.71Å; H47-F57 AromaticContact ND1-CZ 3.8Å; H47-F57 AromaticContact NE2-CE2 3.56Å; T50-F57 HydrophobicContact CG2-CE1 4.29Å; Y54-F57 AromaticContact CD2-CE1 3.63Å; Y54-F57 HydrophobicContact CD2-CE1 3.63Å; Y54-F57 AromaticContact CD2-CZ 3.74Å; Y54-F57 HydrophobicContact CD2-CZ 3.74Å; Y54-F57 HydrophobicContact CE2-CE1 4.22Å; Y54-F57 HydrophobicContact CG-CE1 4.36Å; Y54-F57 HydrophobicContact CG-CZ 4.48Å; F57-V97 HydrophobicContact CB-CG1 3.84Å; F57-V97 HydrophobicContact CD1-CG1 3.66Å; F57-V97 HydrophobicContact CG-CG1 4.07Å; F57-R98 WeakPolarHBondContact CA-O 3.17Å; F57-A99 HydrophobicContact CD1-CB 3.87Å; F57-A99 HydrophobicContact CE1-CB 3.81Å
58E91.8Very high87.7Confident95 Ų9562.1 Ų62.144%0.44431%0.309SS..EExtended strand (participates in β ladder)trans-90130.9163.8-59.4-179.115300107.9V97 R98 I100E58-V97 CarbonylContact O-C 3.57Å; E58-V97 WeakPolarHBondContact O-CA 3.4Å; E58-R98 HydrophobicContact CB-CB 4.32Å; E58-R98 PolarHBondContact N-O 3.3Å; E58-R98 PolarHBondContact O-N 2.95Å; E58-R98 IonicContact OE2-NH1 3.91Å; E58-I100 HydrophobicContact CG-CD1 3.86Å; E58-I100 HydrophobicContact CG-CG1 4.12Å
59M93.7Very high87.7Confident0 Ų055.5 Ų55.50%029%0.286CS..EExtended strand (participates in β ladder)trans-121132179.4-67.6-168.7-92.300110.7W39 I42 I43 L46 L70 H96 V97W39-M59 HydrophobicContact CD2-CE 4.07Å; W39-M59 HydrophobicContact CE3-CE 3.85Å; W39-M59 HydrophobicContact CH2-CB 4.09Å; W39-M59 HydrophobicContact CH2-CE 3.13Å; W39-M59 HydrophobicContact CH2-CG 4.37Å; W39-M59 HydrophobicContact CH2-SD 4.34Å; W39-M59 HydrophobicContact CZ2-CE 3.38Å; W39-M59 HydrophobicContact CZ3-CE 3.38Å; W39-M59 HydrophobicContact CZ3-SD 4.5Å; I42-M59 HydrophobicContact CG2-CE 3.62Å; I42-M59 HydrophobicContact CG2-SD 3.7Å; I43-M59 HydrophobicContact CD1-CE 3.66Å; I43-M59 HydrophobicContact CG1-CE 4.44Å; L46-M59 HydrophobicContact CD1-CE 4.27Å; L46-M59 HydrophobicContact CD1-SD 3.82Å; M59-L70 HydrophobicContact CB-CB 4.31Å; M59-L70 HydrophobicContact CB-CD1 4.48Å; M59-L70 PolarHBondContact O-N 3.09Å; M59-H96 CarbonylContact C-O 3.57Å; M59-H96 WeakPolarHBondContact CA-O 3.47Å; M59-V97 HydrophobicContact CG-CG1 4.19Å; M59-V97 HydrophobicContact CG-CG2 4.06Å; M59-V97 HydrophobicContact SD-CG2 4.42Å
60T93.3Very high87.8Confident18 Ų1854.2 Ų54.211%0.1128%0.278CS..EExtended strand (participates in β ladder)trans-129.5157.8174.568.50000111.1C68 V69 H96T60-C68 WeakPolarHBondContact CA-O 3.3Å; T60-C68 WeakPolarHBondContact CB-O 3.44Å; T60-V69 HydrophobicContact CG2-CG2 4.13Å; T60-H96 PolarHBondContact N-O 3.47Å; T60-H96 PolarHBondContact O-N 3.39Å
61W90.8Very high87.9Confident1 Ų157.3 Ų57.30%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-137.8155.9171.177.3-71000109.2D63 H67 C68 L70 A79 L82 M83 L95 Y126W61-D63 HydrophobicContact CE3-CB 4.46Å; W61-D63 HydrophobicContact CH2-CB 3.42Å; W61-D63 VanDerWaalsContact CH2-CB 3.42Å; W61-D63 HydrophobicContact CZ2-CB 3.61Å; W61-D63 VanDerWaalsContact CZ3-CA 3.49Å; W61-D63 HydrophobicContact CZ3-CB 3.89Å; W61-H67 WeakPolarHBondContact O-CA 3.35Å; W61-C68 PolarHBondContact N-O 3.42Å; W61-C68 PolarHBondContact O-N 3.1Å; W61-L70 VanDerWaalsContact CD1-CD2 3.44Å; W61-L70 HydrophobicContact CG-CD2 4.46Å; W61-A79 HydrophobicContact CD2-CB 3.88Å; W61-A79 HydrophobicContact CG-CB 4.04Å; W61-A79 HydrophobicContact CZ2-CB 4.04Å; W61-L82 HydrophobicContact CH2-CB 4.08Å; W61-L82 HydrophobicContact CH2-CD1 3.87Å; W61-L82 HydrophobicContact CZ2-CD1 4.21Å; W61-M83 HydrophobicContact CB-CE 3.93Å; W61-M83 HydrophobicContact CB-SD 4.47Å; W61-M83 HydrophobicContact CD2-CE 3.83Å; W61-M83 HydrophobicContact CD2-SD 4.49Å; W61-M83 HydrophobicContact CE3-CE 3.66Å; W61-M83 HydrophobicContact CE3-CG 3.62Å; W61-M83 HydrophobicContact CE3-SD 3.8Å; W61-M83 HydrophobicContact CG-CE 3.96Å; W61-M83 HydrophobicContact CZ3-CE 4.43Å; W61-M83 HydrophobicContact CZ3-CG 3.7Å; W61-M83 HydrophobicContact CZ3-SD 4.48Å; W61-L95 HydrophobicContact CB-CD2 3.86Å; W61-Y126 AromaticContact CE2-CD2 3.93Å; W61-Y126 HydrophobicContact CH2-CE2 4.44Å; W61-Y126 AromaticContact CZ2-CD2 3.52Å; W61-Y126 HydrophobicContact CZ2-CD2 3.52Å; W61-Y126 AromaticContact CZ2-CE2 3.55Å; W61-Y126 HydrophobicContact CZ2-CE2 3.55Å; W61-Y126 AromaticContact NE1-CD2 3.71Å
62Y88.2Confident88.2Confident123 Ų12354.6 Ų54.648%0.48227%0.274SS..EExtended strand (participates in β ladder)trans-97.2115.9179.9-174-110.1000110.2G64 H67Y62-G64 VanDerWaalsContact CE1-C 3.45Å; Y62-G64 PolarHBondContact O-N 3.32Å; Y62-G64 VanDerWaalsContact OH-C 3.26Å; Y62-G64 PolarHBondContact OH-O 3.15Å; Y62-H67 AromaticContact CD2-NE2 3.88Å
63D84.6Confident88.7Confident4 Ų452.4 Ų52.42%0.02127%0.267CS..  trans-85.610.8-178.184.1-19.5000113.5W61 F65 H66 R86 Q133W61-D63 HydrophobicContact CE3-CB 4.46Å; W61-D63 HydrophobicContact CH2-CB 3.42Å; W61-D63 VanDerWaalsContact CH2-CB 3.42Å; W61-D63 HydrophobicContact CZ2-CB 3.61Å; W61-D63 VanDerWaalsContact CZ3-CA 3.49Å; W61-D63 HydrophobicContact CZ3-CB 3.89Å; D63-F65 WeakPolarHBondContact OD1-CA 3.4Å; D63-F65 PolarHBondContact OD1-N 3.46Å; D63-H66 PolarHBondContact N-O 2.98Å; D63-H66 PolarHBondContact OD1-N 2.88Å; D63-R86 PolarHBondContact O-NH1 3.09Å; D63-R86 PolarHBondContact O-NH2 2.79Å; D63-Q133 PolarHBondContact OD2-NE2 2.92Å
64G83.8Confident89.2Confident29 Ų2949.6 Ų49.630%0.29926%0.255SS..SBendtrans94.9-19.9-173.500000114.3Y62Y62-G64 VanDerWaalsContact CE1-C 3.45Å; Y62-G64 PolarHBondContact O-N 3.32Å; Y62-G64 VanDerWaalsContact OH-C 3.26Å; Y62-G64 PolarHBondContact OH-O 3.15Å
65F85.2Confident89.4Confident147 Ų14748.7 Ų48.765%0.64525%0.251SS*.SBendtrans-127.9-42.7-178.4-61.9-83.8000112.3D63D63-F65 WeakPolarHBondContact OD1-CA 3.4Å; D63-F65 PolarHBondContact OD1-N 3.46Å
66H86.5Confident89.5Confident112 Ų11245.3 Ų45.352%0.51923%0.227SC..SBendtrans-133.4155.2-176.1-58.5-61.3000112D63 C68D63-H66 PolarHBondContact N-O 2.98Å; D63-H66 PolarHBondContact OD1-N 2.88Å; H66-C68 PolarHBondContact O-N 3.14Å
67H86.7Confident89.6Confident70 Ų7048.9 Ų48.932%0.32424%0.236SC..EExtended strand (participates in β ladder)trans-79.8109.2162-78.4-82.3000108.8W61 Y62W61-H67 WeakPolarHBondContact O-CA 3.35Å; Y62-H67 AromaticContact CD2-NE2 3.88Å
68C89.2Confident89.3Confident0 Ų051.2 Ų51.20%025%0.246CC..EExtended strand (participates in β ladder)trans-92.7133178.9-61.50000110.2T60 W61 H66T60-C68 WeakPolarHBondContact CA-O 3.3Å; T60-C68 WeakPolarHBondContact CB-O 3.44Å; W61-C68 PolarHBondContact N-O 3.42Å; W61-C68 PolarHBondContact O-N 3.1Å; H66-C68 PolarHBondContact O-N 3.14Å
69V90.7Very high89.1Confident34 Ų3446.7 Ų46.721%0.20623%0.225CC..EExtended strand (participates in β ladder)trans-77.7134.1174.2-174.40000109.6T60 T71 L123 P124 Y126T60-V69 HydrophobicContact CG2-CG2 4.13Å; V69-T71 HydrophobicContact CG1-CG2 4Å; V69-L123 HydrophobicContact CG2-CB 3.77Å; V69-L123 HydrophobicContact CG2-CD1 4.08Å; V69-P124 PolarHBondContact N-O 2.76Å; V69-Y126 PolarHBondContact O-N 2.91Å
70L92.6Very high88.7Confident3 Ų346.8 Ų46.82%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-96.5126.6169.3-56.4177.1000107.8W39 M59 W61 D75 L76 A79 L95W39-L70 HydrophobicContact CH2-CB 3.94Å; W39-L70 WeakPolarHBondContact CH2-O 3.2Å; W39-L70 HydrophobicContact CZ3-CB 3.67Å; M59-L70 HydrophobicContact CB-CB 4.31Å; M59-L70 HydrophobicContact CB-CD1 4.48Å; M59-L70 PolarHBondContact O-N 3.09Å; W61-L70 VanDerWaalsContact CD1-CD2 3.44Å; W61-L70 HydrophobicContact CG-CD2 4.46Å; L70-D75 HydrophobicContact CD2-CB 3.97Å; L70-L76 HydrophobicContact CD1-CD1 3.9Å; L70-A79 HydrophobicContact CD2-CB 3.67Å; L70-L95 HydrophobicContact CD1-CD2 3.63Å
71T89.3Confident88.3Confident75 Ų7551.1 Ų51.146%0.4625%0.245SC..  trans-117.2-18.9-176.565.30000113.5V69 D75V69-T71 HydrophobicContact CG1-CG2 4Å; T71-D75 PolarHBondContact N-OD2 3.21Å; T71-D75 VanDerWaalsContact N-OD2 3.11Å; T71-D75 PolarHBondContact OG1-OD2 2.93Å
72N90.3Very high88Confident54 Ų5453.9 Ų53.929%0.28926%0.259SS..SBendtrans-156.8174-171.264.165.1000111.9K74 D75 L76N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 2.86Å; N72-K74 WeakPolarHBondContact OD1-CA 3.19Å; N72-K74 WeakPolarHBondContact OD1-CB 3.49Å; N72-K74 PolarHBondContact OD1-N 3.02Å; N72-D75 PolarHBondContact ND2-OD1 3.34Å; N72-D75 PolarHBondContact ND2-OD2 2.89Å; N72-D75 VanDerWaalsContact ND2-OD2 3.15Å; N72-D75 PolarHBondContact O-N 3.44Å; N72-D75 PolarHBondContact OD1-N 3.33Å; N72-D75 PolarHBondContact OD1-OD1 3.05Å; N72-L76 WeakPolarHBondContact O-CB 3.35Å; N72-L76 PolarHBondContact O-N 3.33Å; N72-L76 VanDerWaalsContact O-N 3.08Å
73T92.3Very high87.7Confident31 Ų3148.8 Ų48.819%0.1924%0.24CC..Hα-helixtrans-58.8-34.4179.5-61.20000113.5L37 W39 R77L37-T73 WeakPolarHBondContact O-CG2 3.46Å; W39-T73 VanDerWaalsContact CB-OG1 3.22Å; W39-T73 WeakPolarHBondContact CB-OG1 3.02Å; W39-T73 PolarHBondContact N-OG1 2.85Å; T73-R77 HydrophobicContact CG2-CG 4.38Å; T73-R77 VanDerWaalsContact CG2-NH2 3.31Å; T73-R77 WeakPolarHBondContact O-CB 3.32Å; T73-R77 VanDerWaalsContact O-CG 3.25Å; T73-R77 WeakPolarHBondContact O-CG 3.41Å; T73-R77 PolarHBondContact O-N 3.25Å
74K91.4Very high87.4Confident123 Ų12353.3 Ų53.354%0.53526%0.261SS..Hα-helixtrans-70-44.7-179.8-176-178178-176.90111N72 L76 R77 K78N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 2.86Å; N72-K74 WeakPolarHBondContact OD1-CA 3.19Å; N72-K74 WeakPolarHBondContact OD1-CB 3.49Å; N72-K74 PolarHBondContact OD1-N 3.02Å; K74-L76 VanDerWaalsContact C-N 3.35Å; K74-R77 PolarHBondContact O-N 3.21Å; K74-K78 WeakPolarHBondContact O-CG 3.3Å; K74-K78 PolarHBondContact O-N 2.88Å; K74-K78 VanDerWaalsContact O-N 3.11Å
75D89.2Confident87.1Confident1 Ų158 Ų581%0.00528%0.279CS..Hα-helixtrans-60.1-48.6175.8-61.2-7.8000110.3L70 T71 N72 R77 K78 A79 L127L70-D75 HydrophobicContact CD2-CB 3.97Å; T71-D75 PolarHBondContact N-OD2 3.21Å; T71-D75 VanDerWaalsContact N-OD2 3.11Å; T71-D75 PolarHBondContact OG1-OD2 2.93Å; N72-D75 PolarHBondContact ND2-OD1 3.34Å; N72-D75 PolarHBondContact ND2-OD2 2.89Å; N72-D75 VanDerWaalsContact ND2-OD2 3.15Å; N72-D75 PolarHBondContact O-N 3.44Å; N72-D75 PolarHBondContact OD1-N 3.33Å; N72-D75 PolarHBondContact OD1-OD1 3.05Å; D75-R77 PolarHBondContact O-N 2.85Å; D75-K78 PolarHBondContact O-N 3.43Å; D75-A79 VanDerWaalsContact O-CB 3.3Å; D75-A79 WeakPolarHBondContact O-CB 3.42Å; D75-A79 PolarHBondContact O-N 3.49Å; D75-L127 WeakPolarHBondContact OD1-CD1 3.28Å; D75-L127 VanDerWaalsContact OD1-CG 3.3Å; D75-L127 WeakPolarHBondContact OD1-CG 3.44Å
76L89.4Confident86.6Confident0 Ų056.1 Ų56.10%027%0.268CS..Hα-helixtrans-58.5-48-179.7177.466.8000111.9L37 W39 I42 L70 N72 K74 A79 V80 L95L37-L76 HydrophobicContact CD2-CD1 4.07Å; L37-L76 HydrophobicContact CD2-CD2 3.6Å; L37-L76 HydrophobicContact CD2-CG 3.56Å; L37-L76 HydrophobicContact CG-CD2 3.69Å; L37-L76 HydrophobicContact CG-CG 4.21Å; W39-L76 HydrophobicContact CE3-CB 4.22Å; W39-L76 HydrophobicContact CE3-CD2 4.31Å; W39-L76 HydrophobicContact CZ3-CB 4.46Å; I42-L76 HydrophobicContact CD1-CD2 4.36Å; I42-L76 HydrophobicContact CG1-CD2 3.78Å; L70-L76 HydrophobicContact CD1-CD1 3.9Å; N72-L76 WeakPolarHBondContact O-CB 3.35Å; N72-L76 PolarHBondContact O-N 3.33Å; N72-L76 VanDerWaalsContact O-N 3.08Å; K74-L76 VanDerWaalsContact C-N 3.35Å; L76-A79 PolarHBondContact O-N 3.14Å; L76-V80 HydrophobicContact CD1-CG2 4.3Å; L76-V80 WeakPolarHBondContact O-CB 3.48Å; L76-V80 WeakPolarHBondContact O-CG2 3.32Å; L76-V80 PolarHBondContact O-N 3.37Å; L76-L95 HydrophobicContact CD1-CD1 3.98Å
77R90.5Very high85.5Confident91 Ų9162.2 Ų62.234%0.34329%0.286SS..Hα-helixtrans-62.7-44.8179.8-74.4177.9-172.8165.67.1111.9I34 R35 L37 T73 K74 D75 V80 E81I34-R77 HydrophobicContact CG2-CB 4.12Å; I34-R77 HydrophobicContact CG2-CG 4.26Å; I34-R77 WeakPolarHBondContact CG2-O 3.35Å; R35-R77 VanDerWaalsContact O-CZ 3.22Å; R35-R77 PolarHBondContact O-NE 3Å; R35-R77 PolarHBondContact O-NH2 3.48Å; L37-R77 HydrophobicContact CB-CG 4.41Å; L37-R77 VanDerWaalsContact O-CZ 3.3Å; L37-R77 PolarHBondContact O-NE 2.88Å; L37-R77 PolarHBondContact O-NH2 2.99Å; T73-R77 HydrophobicContact CG2-CG 4.38Å; T73-R77 VanDerWaalsContact CG2-NH2 3.31Å; T73-R77 WeakPolarHBondContact O-CB 3.32Å; T73-R77 VanDerWaalsContact O-CG 3.25Å; T73-R77 WeakPolarHBondContact O-CG 3.41Å; T73-R77 PolarHBondContact O-N 3.25Å; K74-R77 PolarHBondContact O-N 3.21Å; D75-R77 PolarHBondContact O-N 2.85Å; R77-V80 PolarHBondContact O-N 2.78Å; R77-E81 WeakPolarHBondContact O-CB 3.41Å; R77-E81 PolarHBondContact O-N 2.9Å
78K86.3Confident84.6Confident65 Ų6561.1 Ų61.128%0.28328%0.284SS..Hα-helixtrans-66.1-42179-72.4-173.4176.1-168.50112.2K74 D75 V80 E81 L82 Y126 L127K74-K78 WeakPolarHBondContact O-CG 3.3Å; K74-K78 PolarHBondContact O-N 2.88Å; K74-K78 VanDerWaalsContact O-N 3.11Å; D75-K78 PolarHBondContact O-N 3.43Å; K78-V80 VanDerWaalsContact C-N 3.34Å; K78-V80 PolarHBondContact O-N 3.42Å; K78-E81 PolarHBondContact O-N 3.05Å; K78-L82 PolarHBondContact O-N 2.99Å; K78-Y126 HydrophobicContact CB-CD1 4.13Å; K78-Y126 HydrophobicContact CB-CE1 3.33Å; K78-Y126 HydrophobicContact CD-CD1 4.4Å; K78-Y126 HydrophobicContact CD-CE1 3.57Å; K78-Y126 HydrophobicContact CG-CE1 4.13Å; K78-L127 HydrophobicContact CD-CD2 4.08Å
79A86.5Confident83.5Confident0 Ų070.3 Ų70.30%033%0.327CS..Hα-helixtrans-60.6-44.3175.500000111.5W61 L70 D75 L76 L82 M83W61-A79 HydrophobicContact CD2-CB 3.88Å; W61-A79 HydrophobicContact CG-CB 4.04Å; W61-A79 HydrophobicContact CZ2-CB 4.04Å; L70-A79 HydrophobicContact CD2-CB 3.67Å; D75-A79 VanDerWaalsContact O-CB 3.3Å; D75-A79 WeakPolarHBondContact O-CB 3.42Å; D75-A79 PolarHBondContact O-N 3.49Å; L76-A79 PolarHBondContact O-N 3.14Å; A79-L82 PolarHBondContact O-N 3.3Å; A79-M83 VanDerWaalsContact C-CE 3.48Å; A79-M83 HydrophobicContact CB-CE 3.82Å; A79-M83 WeakPolarHBondContact O-CB 3.35Å; A79-M83 VanDerWaalsContact O-CE 3.28Å; A79-M83 WeakPolarHBondContact O-CE 3.35Å; A79-M83 WeakPolarHBondContact O-CG 3.36Å; A79-M83 PolarHBondContact O-N 3.08Å
80V85.9Confident82.7Confident1 Ų170.4 Ų70.41%0.00633%0.327CS..Hα-helixtrans-62.9-42.4176.3167.70000111.7L9 I34 L37 L76 R77 K78 M83 Q84 V93L9-V80 HydrophobicContact CD1-CG1 3.96Å; I34-V80 HydrophobicContact CB-CG1 4.28Å; I34-V80 HydrophobicContact CD1-CG1 3.98Å; I34-V80 HydrophobicContact CG1-CG1 3.71Å; I34-V80 HydrophobicContact CG2-CB 4.07Å; I34-V80 HydrophobicContact CG2-CG1 3.75Å; L37-V80 HydrophobicContact CD2-CB 4.46Å; L37-V80 HydrophobicContact CD2-CG2 3.68Å; L76-V80 HydrophobicContact CD1-CG2 4.3Å; L76-V80 WeakPolarHBondContact O-CB 3.48Å; L76-V80 WeakPolarHBondContact O-CG2 3.32Å; L76-V80 PolarHBondContact O-N 3.37Å; R77-V80 PolarHBondContact O-N 2.78Å; K78-V80 VanDerWaalsContact C-N 3.34Å; K78-V80 PolarHBondContact O-N 3.42Å; V80-M83 PolarHBondContact O-N 3.12Å; V80-Q84 WeakPolarHBondContact O-CG 3.28Å; V80-Q84 PolarHBondContact O-N 3.28Å; V80-V93 HydrophobicContact CB-CG2 4.37Å; V80-V93 HydrophobicContact CG1-CG2 3.92Å; V80-V93 HydrophobicContact CG2-CG1 3.7Å; V80-V93 HydrophobicContact CG2-CG2 4.15Å
81E85.3Confident81.7Confident110 Ų11076.6 Ų76.651%0.51436%0.36SS..Hα-helixtrans-59.6-46.8176.1-176.3171.4-155.500111.7I34 R77 K78 Q84 N85I34-E81 HydrophobicContact CD1-CB 4.26Å; R77-E81 WeakPolarHBondContact O-CB 3.41Å; R77-E81 PolarHBondContact O-N 2.9Å; K78-E81 PolarHBondContact O-N 3.05Å; E81-Q84 PolarHBondContact O-N 2.93Å; E81-N85 PolarHBondContact O-N 2.84Å; E81-N85 PolarHBondContact O-ND2 2.73Å
82L83.1Confident81.3Confident58 Ų5873.2 Ų73.230%0.30434%0.339SS..Hα-helixtrans-63.5-43174.9-73.8179.5000112.8W61 K78 A79 Q84 N85 R86 Y126W61-L82 HydrophobicContact CH2-CB 4.08Å; W61-L82 HydrophobicContact CH2-CD1 3.87Å; W61-L82 HydrophobicContact CZ2-CD1 4.21Å; K78-L82 PolarHBondContact O-N 2.99Å; A79-L82 PolarHBondContact O-N 3.3Å; L82-Q84 VanDerWaalsContact C-N 3.26Å; L82-Q84 PolarHBondContact O-N 2.84Å; L82-N85 PolarHBondContact O-N 2.95Å; L82-R86 PolarHBondContact O-N 2.94Å; L82-R86 VanDerWaalsContact O-N 3.12Å; L82-Y126 HydrophobicContact CD1-CE2 3.65Å; L82-Y126 WeakPolarHBondContact CD1-OH 3.11Å
83M82Confident81Confident17 Ų1770.8 Ų70.88%0.08433%0.326CS..Hα-helixtrans-65-29.6178.3-78.8-175.5-93.900112.7W61 A79 V80 V93 L95W61-M83 HydrophobicContact CB-CE 3.93Å; W61-M83 HydrophobicContact CB-SD 4.47Å; W61-M83 HydrophobicContact CD2-CE 3.83Å; W61-M83 HydrophobicContact CD2-SD 4.49Å; W61-M83 HydrophobicContact CE3-CE 3.66Å; W61-M83 HydrophobicContact CE3-CG 3.62Å; W61-M83 HydrophobicContact CE3-SD 3.8Å; W61-M83 HydrophobicContact CG-CE 3.96Å; W61-M83 HydrophobicContact CZ3-CE 4.43Å; W61-M83 HydrophobicContact CZ3-CG 3.7Å; W61-M83 HydrophobicContact CZ3-SD 4.48Å; A79-M83 VanDerWaalsContact C-CE 3.48Å; A79-M83 HydrophobicContact CB-CE 3.82Å; A79-M83 WeakPolarHBondContact O-CB 3.35Å; A79-M83 VanDerWaalsContact O-CE 3.28Å; A79-M83 WeakPolarHBondContact O-CE 3.35Å; A79-M83 WeakPolarHBondContact O-CG 3.36Å; A79-M83 PolarHBondContact O-N 3.08Å; V80-M83 PolarHBondContact O-N 3.12Å; M83-V93 HydrophobicContact CB-CG2 4.36Å; M83-V93 HydrophobicContact CE-CG1 3.34Å; M83-V93 HydrophobicContact SD-CB 4.22Å; M83-V93 HydrophobicContact SD-CG1 3.48Å; M83-V93 WeakPolarHBondContact SD-CG1 3.41Å; M83-L95 HydrophobicContact CE-CD2 3.96Å
84Q79Confident80.9Confident99 Ų9973.8 Ų73.846%0.46333%0.334SS..Hα-helixtrans-74.4-32.6173.8-74.7-172.9-2.900112.6I34 V80 E81 L82 R86I34-Q84 VanDerWaalsContact CD1-CD 3.5Å; I34-Q84 HydrophobicContact CD1-CG 4.49Å; V80-Q84 WeakPolarHBondContact O-CG 3.28Å; V80-Q84 PolarHBondContact O-N 3.28Å; E81-Q84 PolarHBondContact O-N 2.93Å; L82-Q84 VanDerWaalsContact C-N 3.26Å; L82-Q84 PolarHBondContact O-N 2.84Å; Q84-R86 VanDerWaalsContact C-N 3.26Å; Q84-R86 PolarHBondContact O-N 2.92Å
85N78.6Confident80.9Confident126 Ų12667.9 Ų67.967%0.67431%0.309SS*.Hα-helixtrans-70.3-26.2175.7-67.3-20000112E81 L82E81-N85 PolarHBondContact O-N 2.84Å; E81-N85 PolarHBondContact O-ND2 2.73Å; L82-N85 PolarHBondContact O-N 2.95Å
86R73.9Confident81.1Confident108 Ų10871.7 Ų71.741%0.40833%0.326SS..SBendtrans-89.8110.1172.1-64.1-177-177.8-168.96.9109.4D63 L82 Q84 T88D63-R86 PolarHBondContact O-NH1 3.09Å; D63-R86 PolarHBondContact O-NH2 2.79Å; L82-R86 PolarHBondContact O-N 2.94Å; L82-R86 VanDerWaalsContact O-N 3.12Å; Q84-R86 VanDerWaalsContact C-N 3.26Å; Q84-R86 PolarHBondContact O-N 2.92Å; R86-T88 PolarHBondContact O-N 3.07Å
87R63.2Low81.3Confident241 Ų24171.9 Ų71.991%0.90933%0.327SS*.  trans-6299.3174.9-69.7-174180174.41.4109.9
88T67.1Low81.3Confident46 Ų4671 Ų7128%0.28232%0.324SS..  trans-82.4147.5168.758.20000109.4R86 D90 N91 C92R86-T88 PolarHBondContact O-N 3.07Å; T88-D90 PolarHBondContact O-N 2.74Å; T88-N91 PolarHBondContact O-N 3.18Å; T88-N91 VanDerWaalsContact O-N 3.08Å; T88-C92 PolarHBondContact OG1-N 3.18Å; T88-C92 PolarHBondContact OG1-O 3.32Å
89E66.6Low81.5Confident194 Ų19468 Ų6891%0.90731%0.311SS*.THydrogen-bonded Turntrans-52.9-32.9-175.3-65.1175.9171.100113.7
90D73.2Confident81.6Confident36 Ų3670.9 Ų70.919%0.19333%0.326CS..THydrogen-bonded Turntrans-107.613.8-176.969.2-30.1000114.8R27 T88 C92 R94R27-D90 IonicContact NH2-OD2 2.84Å; R27-D90 PolarHBondContact NH2-OD2 3.38Å; T88-D90 PolarHBondContact O-N 2.74Å; D90-C92 PolarHBondContact O-N 3.38Å; D90-C92 VanDerWaalsContact O-N 3.12Å; D90-C92 PolarHBondContact OD1-SG 2.94Å; D90-C92 PolarHBondContact OD2-SG 3.12Å; D90-R94 IonicContact OD1-CZ 2.57Å; D90-R94 IonicContact OD1-NE 2.85Å; D90-R94 PolarHBondContact OD1-NE 3.01Å; D90-R94 VanDerWaalsContact OD1-NE 3.1Å; D90-R94 IonicContact OD1-NH2 3.42Å; D90-R94 PolarHBondContact OD1-NH2 2.96Å; D90-R94 IonicContact OD2-CZ 3.87Å; D90-R94 IonicContact OD2-NE 3.21Å; D90-R94 IonicContact OD2-NH2 3.79Å; D90-R94 PolarHBondContact OD2-NH2 3.18Å
91N73.2Confident81.5Confident133 Ų13372.9 Ų72.971%0.71134%0.338SS*.SBendtrans46.241.4179.6-69.1-48.5000112.8T88T88-N91 PolarHBondContact O-N 3.18Å; T88-N91 VanDerWaalsContact O-N 3.08Å
92C79.5Confident81.1Confident4 Ų473.3 Ų73.33%0.02734%0.339CS..  trans-131.6151.3179.184.90000112.2S10 K12 T88 D90S10-C92 VanDerWaalsContact O-CA 3.29Å; S10-C92 WeakPolarHBondContact O-CA 3.43Å; S10-C92 WeakPolarHBondContact O-CB 3.34Å; S10-C92 VanDerWaalsContact OG-CB 3.28Å; S10-C92 WeakPolarHBondContact OG-CB 3.38Å; K12-C92 VanDerWaalsContact CB-SG 3.59Å; T88-C92 PolarHBondContact OG1-N 3.18Å; T88-C92 PolarHBondContact OG1-O 3.32Å; D90-C92 PolarHBondContact O-N 3.38Å; D90-C92 VanDerWaalsContact O-N 3.12Å; D90-C92 PolarHBondContact OD1-SG 2.94Å; D90-C92 PolarHBondContact OD2-SG 3.12Å
93V84.4Confident80.3Confident3 Ų375.3 Ų75.32%0.01835%0.349CS..EExtended strand (participates in β ladder)trans-78.7121.1170.8176.90000107.3L9 S10 V11 K12 V80 M83 L95L9-V93 HydrophobicContact CD1-CG2 3.94Å; S10-V93 PolarHBondContact O-N 3.5Å; V11-V93 CarbonylContact C-O 3.54Å; V11-V93 WeakPolarHBondContact CA-O 3.29Å; V11-V93 HydrophobicContact CG1-CB 4.34Å; V11-V93 HydrophobicContact CG1-CG1 4.33Å; V11-V93 HydrophobicContact CG2-CB 4.34Å; K12-V93 PolarHBondContact N-O 3.39Å; V80-V93 HydrophobicContact CB-CG2 4.37Å; V80-V93 HydrophobicContact CG1-CG2 3.92Å; V80-V93 HydrophobicContact CG2-CG1 3.7Å; V80-V93 HydrophobicContact CG2-CG2 4.15Å; M83-V93 HydrophobicContact CB-CG2 4.36Å; M83-V93 HydrophobicContact CE-CG1 3.34Å; M83-V93 HydrophobicContact SD-CB 4.22Å; M83-V93 HydrophobicContact SD-CG1 3.48Å; M83-V93 WeakPolarHBondContact SD-CG1 3.41Å; V93-L95 HydrophobicContact CG1-CD2 4.14Å; V93-L95 HydrophobicContact CG1-CG 4.14Å
94R90.1Very high78.8Confident93 Ų9381 Ų8135%0.35138%0.379SS..EExtended strand (participates in β ladder)trans-102.5117.7-177.9-66.6-176.2176.9-148.78.9109.9K12 F14 D90K12-R94 WeakPolarHBondContact O-CA 3.45Å; F14-R94 HydrophobicContact CE2-CB 3.98Å; F14-R94 HydrophobicContact CE2-CG 4.04Å; D90-R94 IonicContact OD1-CZ 2.57Å; D90-R94 IonicContact OD1-NE 2.85Å; D90-R94 PolarHBondContact OD1-NE 3.01Å; D90-R94 VanDerWaalsContact OD1-NE 3.1Å; D90-R94 IonicContact OD1-NH2 3.42Å; D90-R94 PolarHBondContact OD1-NH2 2.96Å; D90-R94 IonicContact OD2-CZ 3.87Å; D90-R94 IonicContact OD2-NE 3.21Å; D90-R94 IonicContact OD2-NH2 3.79Å; D90-R94 PolarHBondContact OD2-NH2 3.18Å
95L92.2Very high77.2Confident0 Ų085.4 Ų85.40%039%0.392CS..EExtended strand (participates in β ladder)trans-118.5129.6179.2-60.9-178.4000109.7V11 K12 F13 F14 W61 L70 L76 M83 V93V11-L95 HydrophobicContact CG1-CD1 3.76Å; V11-L95 HydrophobicContact CG1-CG 4.12Å; K12-L95 PolarHBondContact O-N 3.33Å; F13-L95 CarbonylContact C-O 3.57Å; F13-L95 WeakPolarHBondContact CA-O 3.48Å; F13-L95 HydrophobicContact CD1-CB 4.1Å; F13-L95 HydrophobicContact CD1-CD1 4.22Å; F13-L95 HydrophobicContact CE1-CB 4.47Å; F13-L95 HydrophobicContact CE1-CD1 3.75Å; F14-L95 PolarHBondContact N-O 2.9Å; W61-L95 HydrophobicContact CB-CD2 3.86Å; L70-L95 HydrophobicContact CD1-CD2 3.63Å; L76-L95 HydrophobicContact CD1-CD1 3.98Å; M83-L95 HydrophobicContact CE-CD2 3.96Å; V93-L95 HydrophobicContact CG1-CD2 4.14Å; V93-L95 HydrophobicContact CG1-CG 4.14Å
96H93.3Very high75.8Confident80 Ų8084.6 Ų84.637%0.3739%0.393SS..EExtended strand (participates in β ladder)trans-89.6133.1168.9-67.9-95.5000108.5M59 T60M59-H96 CarbonylContact C-O 3.57Å; M59-H96 WeakPolarHBondContact CA-O 3.47Å; T60-H96 PolarHBondContact N-O 3.47Å; T60-H96 PolarHBondContact O-N 3.39Å
97V93.2Very high74.5Confident4 Ų486.8 Ų86.82%0.02441%0.408CS..EExtended strand (participates in β ladder)trans-128.4122.9-174.8-1730000108.4F13 F14 I15 Q16 L46 F57 E58 M59F13-V97 HydrophobicContact CB-CG2 4.2Å; F13-V97 HydrophobicContact CD1-CG2 3.77Å; F13-V97 HydrophobicContact CG-CG2 4.47Å; F14-V97 PolarHBondContact O-N 2.9Å; I15-V97 CarbonylContact C-O 3.57Å; I15-V97 WeakPolarHBondContact CA-O 3.42Å; I15-V97 HydrophobicContact CB-CB 4.4Å; I15-V97 HydrophobicContact CG1-CB 4.1Å; I15-V97 HydrophobicContact CG1-CG2 4.34Å; I15-V97 HydrophobicContact CG2-CB 4.42Å; I15-V97 HydrophobicContact CG2-CG1 4.41Å; Q16-V97 PolarHBondContact N-O 2.96Å; L46-V97 HydrophobicContact CD1-CG1 3.91Å; L46-V97 HydrophobicContact CD1-CG2 4.41Å; L46-V97 HydrophobicContact CD2-CG1 4.25Å; L46-V97 HydrophobicContact CD2-CG2 4.2Å; F57-V97 HydrophobicContact CB-CG1 3.84Å; F57-V97 HydrophobicContact CD1-CG1 3.66Å; F57-V97 HydrophobicContact CG-CG1 4.07Å; E58-V97 CarbonylContact O-C 3.57Å; E58-V97 WeakPolarHBondContact O-CA 3.4Å; M59-V97 HydrophobicContact CG-CG1 4.19Å; M59-V97 HydrophobicContact CG-CG2 4.06Å; M59-V97 HydrophobicContact SD-CG2 4.42Å
98R91.1Very high73.6Confident74 Ų7479 Ų7928%0.27939%0.39SS..EExtended strand (participates in β ladder)trans-104.5119.9168.6-179.7-177.5175.3-178.54.4108.3F57 E58 T116F57-R98 WeakPolarHBondContact CA-O 3.17Å; E58-R98 HydrophobicContact CB-CB 4.32Å; E58-R98 PolarHBondContact N-O 3.3Å; E58-R98 PolarHBondContact O-N 2.95Å; E58-R98 IonicContact OE2-NH1 3.91Å; R98-T116 VanDerWaalsContact CZ-CG2 3.43Å; R98-T116 PolarHBondContact NH2-OG1 2.83Å
99A89.9Confident72.6Confident0 Ų086.2 Ų86.20%041%0.412CS..EExtended strand (participates in β ladder)trans-76.6136.1175.700000110.5Q16 P18 Y54 F57Q16-A99 PolarHBondContact O-N 2.73Å; P18-A99 WeakPolarHBondContact CD-O 3.45Å; P18-A99 WeakPolarHBondContact CG-O 3.46Å; Y54-A99 HydrophobicContact CD1-CB 3.77Å; Y54-A99 HydrophobicContact CD2-CB 3.69Å; Y54-A99 HydrophobicContact CE1-CB 3.71Å; Y54-A99 HydrophobicContact CE2-CB 3.58Å; Y54-A99 HydrophobicContact CG-CB 3.76Å; F57-A99 HydrophobicContact CD1-CB 3.87Å; F57-A99 HydrophobicContact CE1-CB 3.81Å
100I88Confident71.7Confident62 Ų6281.2 Ų81.232%0.31840%0.399SS..EExtended strand (participates in β ladder)trans-95.7119.9178.8-49.5176.4000107.8Y54 S55 G56 E58 K102Y54-I100 WeakPolarHBondContact CA-O 3.47Å; Y54-I100 VanDerWaalsContact CB-O 3.26Å; Y54-I100 WeakPolarHBondContact CB-O 3.49Å; S55-I100 PolarHBondContact N-O 3.08Å; S55-I100 WeakPolarHBondContact OG-CB 3.38Å; S55-I100 WeakPolarHBondContact OG-CG2 3.33Å; S55-I100 PolarHBondContact OG-O 3.06Å; S55-I100 VanDerWaalsContact OG-O 3.06Å; G56-I100 PolarHBondContact O-N 3.33Å; E58-I100 HydrophobicContact CG-CD1 3.86Å; E58-I100 HydrophobicContact CG-CG1 4.12Å; I100-K102 PolarHBondContact O-N 2.77Å
101P83.9Confident70.4Confident42 Ų4287.6 Ų87.627%0.27343%0.427SS..PPolyproline II helixtrans-63.6136.5-179.126.1-30.9000109.8P18 S55 L103P18-P101 HydrophobicContact CB-CB 4.36Å; P18-P101 HydrophobicContact CB-CG 4.08Å; P18-P101 HydrophobicContact CG-CB 3.96Å; P18-P101 HydrophobicContact CG-CG 4.15Å; S55-P101 PolarHBondContact OG-O 2.75Å; P101-L103 PolarHBondContact O-N 2.88Å; P101-L103 VanDerWaalsContact O-N 3.08Å
102K78.3Confident69.1Low120 Ų12087 Ų8752%0.52242%0.423SS..  trans-66.9111.2168.4-172.7171.4-175.3172.20106.7K53 I100 L104K53-K102 VanDerWaalsContact O-CB 3.32Å; K53-K102 WeakPolarHBondContact O-CB 3.48Å; I100-K102 PolarHBondContact O-N 2.77Å; K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 2.87Å
103L64.6Low67.5Low100 Ų10092.8 Ų92.852%0.52445%0.453SS..  trans-59.597.2174.2-68.6174.5000108.2P101 R105P101-L103 PolarHBondContact O-N 2.88Å; P101-L103 VanDerWaalsContact O-N 3.08Å; L103-R105 VanDerWaalsContact C-N 3.35Å; L103-R105 PolarHBondContact O-N 3.41Å; L103-R105 VanDerWaalsContact O-N 3.1Å
104L50.7Low65.5Low137 Ų137100 Ų10072%0.71749%0.492SS*.  trans-76.395.3168.7-67.2172.5000105.8K102K102-L104 VanDerWaalsContact C-N 3.3Å; K102-L104 PolarHBondContact O-N 2.87Å
105R46.3Very low63.1Low191 Ų191102.7 Ų102.772%0.72151%0.513SS*.SBendtrans74.7148.3174.9-58.7-179.2177.2152.5-0.3116.4L103 E107L103-R105 VanDerWaalsContact C-N 3.35Å; L103-R105 PolarHBondContact O-N 3.41Å; L103-R105 VanDerWaalsContact O-N 3.1Å; R105-E107 PolarHBondContact O-N 2.85Å
106P48.2Very low60.8Low108 Ų108105.1 Ų105.170%0.70153%0.528SS*.G310 helixtrans-59.3-13.1179.1-22.332.7000115.5
107E48.1Very low58.3Low155 Ų155110.5 Ų110.572%0.72455%0.553SS**G310 helixtrans-82.8-14.1-168.9-65.1167.6-178.900113.9R105R105-E107 PolarHBondContact O-N 2.85Å
108C44.1Very low56.2Low78 Ų78115.9 Ų115.953%0.52758%0.577SS.*G310 helixtrans-92.66.5178.7-67.20000114.5S110C108-S110 PolarHBondContact O-N 2.84Å; C108-S110 VanDerWaalsContact O-N 3.16Å
109R44.9Very low54.1Low196 Ų196117 Ų11774%0.7460%0.596SS**THydrogen-bonded Turntrans-65.2-14179.8-85.5-176.5167176.5-3.8114.3
110S47.7Very low52.3Low90 Ų90121 Ų12163%0.62964%0.637SS**THydrogen-bonded Turntrans-93.41.9-174.249.20000115.4C108C108-S110 PolarHBondContact O-N 2.84Å; C108-S110 VanDerWaalsContact O-N 3.16Å
111Q46.4Very low50.9Low169 Ų169126.2 Ų126.279%0.7966%0.66SS**  trans-1225.5-176.5-69.4-172.85.300115.3N113Q111-N113 PolarHBondContact O-N 2.9Å; Q111-N113 VanDerWaalsContact O-N 3.08Å
112I46.7Very low50Low121 Ų121132.3 Ų132.362%0.62168%0.679SS**  trans-86.871.1167.4-50.9176.7000107.2
113N45.9Very low49.4Very low125 Ų125129.4 Ų129.467%0.66867%0.669SS**  trans-81.1116.9169.2-82.2-1.7000108.8Q111 D115Q111-N113 PolarHBondContact O-N 2.9Å; Q111-N113 VanDerWaalsContact O-N 3.08Å; N113-D115 PolarHBondContact O-N 2.78Å; N113-D115 VanDerWaalsContact O-N 3.08Å
114D41Very low49.8Very low154 Ų154125.6 Ų125.682%0.82465%0.65SS**SBendtrans46.641.3139-63.7-35.2000120.9
115D39.7Very low51.1Low151 Ų151120 Ų12081%0.80762%0.623SS**  trans-136.143.4168.4-89-36.3000114.3N113N113-D115 PolarHBondContact O-N 2.78Å; N113-D115 VanDerWaalsContact O-N 3.08Å
116T43.8Very low52.2Low51 Ų51111.6 Ų111.631%0.31359%0.591SS.*  trans-121.8106.7151.929.70000111.3R98 F118R98-T116 VanDerWaalsContact CZ-CG2 3.43Å; R98-T116 PolarHBondContact NH2-OG1 2.83Å; T116-F118 CarbonylContact O-C 3.58Å; T116-F118 PolarHBondContact O-N 2.78Å
117Q41.7Very low53.6Low192 Ų192109.2 Ų109.290%0.89757%0.572SS**SBendtrans-62.229.1168.2-71-177.1-1.700114.1
118F49.7Very low55Low117 Ų117105.8 Ų105.851%0.51356%0.556SS.*  trans-95.156.5150.1-78.8-78.2000107.9T116 G120 L123T116-F118 CarbonylContact O-C 3.58Å; T116-F118 PolarHBondContact O-N 2.78Å; F118-G120 PolarHBondContact O-N 2.82Å; F118-L123 HydrophobicContact CD1-CD1 3.72Å; F118-L123 HydrophobicContact CE1-CD1 3.63Å
119S46.5Very low56.5Low99 Ų99102.2 Ų102.269%0.69253%0.532SS*.  trans-76.3108.8-178.1179.20000109.8Q121S119-Q121 VanDerWaalsContact C-N 3.26Å; S119-Q121 PolarHBondContact O-N 2.8Å
120G52.1Low58Low83 Ų8395.7 Ų95.786%0.85651%0.511SS*.SBendtrans67.70.9152.100000119.1F118F118-G120 PolarHBondContact O-N 2.82Å
121Q58.7Low59.2Low171 Ų17194.5 Ų94.580%0.79951%0.513SS*.PPolyproline II helixtrans-103.1124.7178.4-65.6-178.88.900110.5S119 L123S119-Q121 VanDerWaalsContact C-N 3.26Å; S119-Q121 PolarHBondContact O-N 2.8Å; Q121-L123 PolarHBondContact O-N 3.47Å
122Y65Low60.2Low170 Ų17092.7 Ų92.767%0.66751%0.508SS*.PPolyproline II helixtrans-60.5117.6174.6171.8-96.5000109.8P124 E128Y122-P124 HydrophobicContact CE1-CB 4.38Å; Y122-E128 PolarHBondContact OH-OE1 2.83Å; Y122-E128 PolarHBondContact OH-OE2 3.48Å
123L66.2Low60.9Low60 Ų6090.9 Ų90.931%0.31450%0.497SS..PPolyproline II helixtrans-89.6124.4170.1-66.8174.8000108.6V69 F118 Q121V69-L123 HydrophobicContact CG2-CB 3.77Å; V69-L123 HydrophobicContact CG2-CD1 4.08Å; F118-L123 HydrophobicContact CD1-CD1 3.72Å; F118-L123 HydrophobicContact CE1-CD1 3.63Å; Q121-L123 PolarHBondContact O-N 3.47Å
124P73.1Confident61.5Low20 Ų2090.5 Ų90.513%0.1350%0.502CS..PPolyproline II helixtrans-65.2141.4174.927.8-33000109.8V69 Y122 E128 A129V69-P124 PolarHBondContact N-O 2.76Å; Y122-P124 HydrophobicContact CE1-CB 4.38Å; P124-E128 HydrophobicContact CB-CB 3.67Å; P124-A129 HydrophobicContact CB-CB 4.24Å; P124-A129 HydrophobicContact CG-CB 4.03Å
125S77.7Confident62.1Low20 Ų2087.8 Ų87.814%0.1450%0.495CS..BIsolated β-bridgetrans-55.9156.5158.867.10000109.3L127 E128 A129S125-L127 PolarHBondContact O-N 2.91Å; S125-L127 VanDerWaalsContact O-N 3.14Å; S125-E128 VanDerWaalsContact CB-OE2 3.27Å; S125-E128 WeakPolarHBondContact CB-OE2 3.45Å; S125-E128 PolarHBondContact N-OE2 2.75Å; S125-E128 WeakPolarHBondContact O-CB 3.4Å; S125-E128 PolarHBondContact O-N 3.41Å; S125-E128 WeakPolarHBondContact OG-CG 3.48Å; S125-E128 PolarHBondContact OG-N 3.07Å; S125-E128 PolarHBondContact OG-OE2 2.64Å; S125-A129 PolarHBondContact O-N 3.16Å
126Y68.9Low62.3Low14 Ų1488 Ų886%0.05549%0.494CS..Hα-helixtrans-51.6-39.6176.7167.9-100.8000113W61 V69 K78 L82 E128 A129 I130W61-Y126 AromaticContact CE2-CD2 3.93Å; W61-Y126 HydrophobicContact CH2-CE2 4.44Å; W61-Y126 AromaticContact CZ2-CD2 3.52Å; W61-Y126 HydrophobicContact CZ2-CD2 3.52Å; W61-Y126 AromaticContact CZ2-CE2 3.55Å; W61-Y126 HydrophobicContact CZ2-CE2 3.55Å; W61-Y126 AromaticContact NE1-CD2 3.71Å; V69-Y126 PolarHBondContact O-N 2.91Å; K78-Y126 HydrophobicContact CB-CD1 4.13Å; K78-Y126 HydrophobicContact CB-CE1 3.33Å; K78-Y126 HydrophobicContact CD-CD1 4.4Å; K78-Y126 HydrophobicContact CD-CE1 3.57Å; K78-Y126 HydrophobicContact CG-CE1 4.13Å; L82-Y126 HydrophobicContact CD1-CE2 3.65Å; L82-Y126 WeakPolarHBondContact CD1-OH 3.11Å; Y126-E128 VanDerWaalsContact C-N 3.33Å; Y126-E128 PolarHBondContact O-N 2.57Å; Y126-A129 PolarHBondContact O-N 3.4Å; Y126-I130 HydrophobicContact CD2-CG2 4.07Å; Y126-I130 HydrophobicContact CE1-CD1 4.06Å; Y126-I130 HydrophobicContact CE1-CG2 4.15Å; Y126-I130 HydrophobicContact CE2-CG2 3.4Å; Y126-I130 VanDerWaalsContact CE2-CG2 3.4Å; Y126-I130 VanDerWaalsContact CZ-CG2 3.48Å; Y126-I130 PolarHBondContact O-N 3.12Å; Y126-I130 VanDerWaalsContact O-N 3.09Å
127L77.4Confident62.2Low58 Ų5892.6 Ų92.630%0.30451%0.512SS..Hα-helixtrans-68.4-31.2179-67.1176.3000113.1D75 K78 S125 I130D75-L127 WeakPolarHBondContact OD1-CD1 3.28Å; D75-L127 VanDerWaalsContact OD1-CG 3.3Å; D75-L127 WeakPolarHBondContact OD1-CG 3.44Å; K78-L127 HydrophobicContact CD-CD2 4.08Å; S125-L127 PolarHBondContact O-N 2.91Å; S125-L127 VanDerWaalsContact O-N 3.14Å; L127-I130 HydrophobicContact CD2-CD1 3.95Å; L127-I130 VanDerWaalsContact O-CG1 3.23Å; L127-I130 WeakPolarHBondContact O-CG1 3.38Å
128E78.7Confident62Low82 Ų8290.8 Ų90.838%0.38351%0.509SS..Hα-helixtrans-73.1-42.6173.1-71.6158.1155.600110.5Y122 P124 S125 Y126 I130 G131 L132Y122-E128 PolarHBondContact OH-OE1 2.83Å; Y122-E128 PolarHBondContact OH-OE2 3.48Å; P124-E128 HydrophobicContact CB-CB 3.67Å; S125-E128 VanDerWaalsContact CB-OE2 3.27Å; S125-E128 WeakPolarHBondContact CB-OE2 3.45Å; S125-E128 PolarHBondContact N-OE2 2.75Å; S125-E128 WeakPolarHBondContact O-CB 3.4Å; S125-E128 PolarHBondContact O-N 3.41Å; S125-E128 WeakPolarHBondContact OG-CG 3.48Å; S125-E128 PolarHBondContact OG-N 3.07Å; S125-E128 PolarHBondContact OG-OE2 2.64Å; Y126-E128 VanDerWaalsContact C-N 3.33Å; Y126-E128 PolarHBondContact O-N 2.57Å; E128-I130 PolarHBondContact O-N 3.08Å; E128-G131 PolarHBondContact O-N 3.25Å; E128-G131 VanDerWaalsContact O-N 3.08Å; E128-L132 WeakPolarHBondContact O-CG 3.47Å; E128-L132 PolarHBondContact O-N 3.37Å; E128-L132 VanDerWaalsContact O-N 3.1Å
129A74.6Confident61.4Low4 Ų491.1 Ų91.13%0.03352%0.515CS..Hα-helixtrans-60.3-45.1-179.700000112.2P124 S125 Y126 G131 L132 Q133P124-A129 HydrophobicContact CB-CB 4.24Å; P124-A129 HydrophobicContact CG-CB 4.03Å; S125-A129 PolarHBondContact O-N 3.16Å; Y126-A129 PolarHBondContact O-N 3.4Å; A129-G131 PolarHBondContact O-N 2.83Å; A129-L132 PolarHBondContact O-N 3.03Å; A129-L132 VanDerWaalsContact O-N 3.14Å; A129-Q133 PolarHBondContact O-N 3.25Å; A129-Q133 VanDerWaalsContact O-N 3.15Å
130I75.7Confident60.7Low59 Ų5991.5 Ų91.530%0.30352%0.518SS..Hα-helixtrans-66.8-25.6176.863.4176.7000113.2Y126 L127 E128 L132Y126-I130 HydrophobicContact CD2-CG2 4.07Å; Y126-I130 HydrophobicContact CE1-CD1 4.06Å; Y126-I130 HydrophobicContact CE1-CG2 4.15Å; Y126-I130 HydrophobicContact CE2-CG2 3.4Å; Y126-I130 VanDerWaalsContact CE2-CG2 3.4Å; Y126-I130 VanDerWaalsContact CZ-CG2 3.48Å; Y126-I130 PolarHBondContact O-N 3.12Å; Y126-I130 VanDerWaalsContact O-N 3.09Å; L127-I130 HydrophobicContact CD2-CD1 3.95Å; L127-I130 VanDerWaalsContact O-CG1 3.23Å; L127-I130 WeakPolarHBondContact O-CG1 3.38Å; E128-I130 PolarHBondContact O-N 3.08Å; I130-L132 VanDerWaalsContact C-N 3.34Å
131G72.9Confident60Low65 Ų6592.9 Ų92.967%0.6751%0.505SS*.Hα-helixtrans-77.4-22.9175.100000113E128 A129E128-G131 PolarHBondContact O-N 3.25Å; E128-G131 VanDerWaalsContact O-N 3.08Å; A129-G131 PolarHBondContact O-N 2.83Å
132L68.4Low58.9Low130 Ų13091.9 Ų91.968%0.68151%0.505SS*.Hα-helixtrans-91.3-15.7178.8-67.7171.4000113.3E128 A129 I130E128-L132 WeakPolarHBondContact O-CG 3.47Å; E128-L132 PolarHBondContact O-N 3.37Å; E128-L132 VanDerWaalsContact O-N 3.1Å; A129-L132 PolarHBondContact O-N 3.03Å; A129-L132 VanDerWaalsContact O-N 3.14Å; I130-L132 VanDerWaalsContact C-N 3.34Å
133Q61.6Low57.4Low84 Ų8490.9 Ų90.939%0.39351%0.511SS..SBendtrans-61.7126.6172-73.9-177.6-1.400108.2D63 A129 S135D63-Q133 PolarHBondContact OD2-NE2 2.92Å; A129-Q133 PolarHBondContact O-N 3.25Å; A129-Q133 VanDerWaalsContact O-N 3.15Å; Q133-S135 PolarHBondContact O-N 2.86Å; Q133-S135 VanDerWaalsContact O-N 3.09Å
134P57.9Low56.1Low117 Ų11795.5 Ų95.576%0.7653%0.531SS*.  trans-53.7127173.421.6-29.8000106.5I136P134-I136 VanDerWaalsContact C-N 3.3Å; P134-I136 PolarHBondContact O-N 2.98Å
135S53Low54.4Low97 Ų97102.4 Ų102.468%0.67856%0.559SS**  trans-52.3104.3174.554.50000106.4Q133 Q137Q133-S135 PolarHBondContact O-N 2.86Å; Q133-S135 VanDerWaalsContact O-N 3.09Å; S135-Q137 PolarHBondContact O-N 3.08Å
136I44.2Very low52.6Low155 Ų155110.4 Ų110.480%0.79559%0.594SS**  trans-65.291.9152.1-58.5175.7000100.9P134 N138P134-I136 VanDerWaalsContact C-N 3.3Å; P134-I136 PolarHBondContact O-N 2.98Å; I136-N138 VanDerWaalsContact C-N 3.34Å; I136-N138 PolarHBondContact O-N 3.06Å
137Q42.2Very low51Low148 Ų148118.7 Ų118.769%0.69263%0.631SS**  trans-47.5114.7162.8-80.7178.3-22.300103.4S135 D139S135-Q137 PolarHBondContact O-N 3.08Å; Q137-D139 PolarHBondContact O-N 3.21Å
138N37.6Very low49.1Very low154 Ų154123.8 Ų123.882%0.82465%0.651SS**  trans-57.789.1156.1-80.6-22.6000104I136 S140I136-N138 VanDerWaalsContact C-N 3.34Å; I136-N138 PolarHBondContact O-N 3.06Å; N138-S140 PolarHBondContact O-N 2.85Å
139D36.9Very low47.2Very low123 Ų123125.5 Ų125.566%0.65866%0.663SS**  trans-60.987.2152.8-91-19.4000104.7Q137 I141Q137-D139 PolarHBondContact O-N 3.21Å; D139-I141 HydrophobicContact CB-CD1 4.25Å; D139-I141 HydrophobicContact CB-CG1 4.2Å; D139-I141 PolarHBondContact O-N 3.1Å
140S32.7Very low45.5Very low107 Ų107133.4 Ų133.475%0.74870%0.699SS**  trans-48.384.4148.2163.10000107.3N138N138-S140 PolarHBondContact O-N 2.85Å
141I37.3Very low43.7Very low113 Ų113136.7 Ų136.758%0.57972%0.717SS**  trans-117.8100162.9-61.7177.3000106.3D139 N143D139-I141 HydrophobicContact CB-CD1 4.25Å; D139-I141 HydrophobicContact CB-CG1 4.2Å; D139-I141 PolarHBondContact O-N 3.1Å; I141-N143 PolarHBondContact O-N 2.84Å; I141-N143 VanDerWaalsContact O-N 3.12Å
142D34.5Very low42Very low150 Ų150142.3 Ų142.380%0.80273%0.731SS**  trans-32.8111151.2-75.9-47.9000110.1
143N33.8Very low40.8Very low149 Ų149143.7 Ų143.780%0.79773%0.732SS**  trans-13158.2166.2-89.1-36.8000109.1I141I141-N143 PolarHBondContact O-N 2.84Å; I141-N143 VanDerWaalsContact O-N 3.12Å
144E39.3Very low39.9Very low157 Ų157144.9 Ų144.973%0.73475%0.747SS**  trans-89.2117.5146.4-85.1-155.492.400108.7
145K37.9Very low39.2Very low165 Ų165148.1 Ų148.172%0.71775%0.749SS**  trans69.398.7152.8-57.3168.6-173.2162.40117.4
146Q38.5Very low38.8Very low188 Ų188150.9 Ų150.988%0.87975%0.751SS**  -179.9100.5126.2-97.9161.123.400107.6
147F35.5Very low38.6Very low188 Ų188151.4 Ų151.483%0.82575%0.75SS**  41.39287.5-92.6-77.4000112.8
148F37.7Very low38.9Very low164 Ų164155.9 Ų155.972%0.71976%0.762SS**  162.3125.2113.4-110.1-116.2000112.6
149N38.7Very low39.1Very low119 Ų119158 Ų15864%0.63676%0.759SS**  trans74.9125.2138.3-79-5.3000124
150Q39.7Very low39.9Very low169 Ų169165.8 Ų165.879%0.7978%0.779SS**  trans9986.9134.1-76172.6-2.200119.4
151D37.1Very low40.2Very low129 Ų129168.7 Ų168.769%0.6978%0.781SS**  20.4121.6126.4-67.5-54000120
152L37.9Very low40.4Very low183 Ų183171.6 Ų171.696%0.95879%0.791SS**  trans-150.795.7138.9-112.4119.6000110.1
153F42.6Very low40.7Very low158 Ų158172.8 Ų172.869%0.69379%0.79SS**  trans-73.7172.6161.6-90-78000109.9
154P44.1Very low41.1Very low110 Ų110174.2 Ų174.271%0.71479%0.79SS**  cis-146.516931.935.7-11.6000118.9
155K42.3Very low41.3Very low184 Ų184175.3 Ų175.380%0.879%0.794SS**  trans-70.2134.6166.7-71.8170.1172.3175.80111
156H44.4Very low41.5Very low155 Ų155176 Ų17672%0.71880%0.799SS**  trans-129.3112.6151.1-92-81000106.3
157E40.9Very low41.7Very low167 Ų167175.1 Ų175.178%0.7879%0.793SS**  90.1107.288.1-123.2176.1175.100111.6
158Y47.3Very low42.2Very low241 Ų241174.2 Ų174.295%0.94579%0.791SS**  trans-99.5126.7165.2-83.1-86000109
159R41.8Very low42.5Very low199 Ų199175 Ų17575%0.75180%0.797SS**  trans-63.6149.4165.3-63.5158.476.3-179.48.7109.3
160W53.9Low42.9Very low286 Ų286180.1 Ų180.1100%1.08381%0.811SS**  cis-140.9019.6-74.482.2000109.9

Retrieved 160 of 160 residues in 257.3 ms (Link to these results)

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