A0A087YS43_POEFO Loading...

Ribosome biogenesis regulatory protein

Involved in ribosomal large subunit assembly.

AlphaFold DB , UniProt , Accession A0A087YS43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M43.5Very low69.9Low245 Ų245106.5 Ų106.5100%1.20763%0.628SS**  082.20-69.3-89.5-94.400106.8A3M1-A3 PolarHBondContact O-N 3.34Å
2A47.5Very low71.2Confident101 Ų101106.8 Ų106.884%0.83562%0.616SS**  trans-77.6114-177.300000108.2C4A2-C4 PolarHBondContact O-N 2.93Å
3A55.2Low72.1Confident99 Ų99102 Ų10282%0.81860%0.597SS**  trans-69.499169.600000107.2M1 S5M1-A3 PolarHBondContact O-N 3.34Å; A3-S5 PolarHBondContact O-N 2.95Å; A3-S5 VanDerWaalsContact O-N 3.15Å
4C56.8Low72.8Confident74 Ų74104.7 Ų104.750%0.560%0.601SS.*  trans-52.9121.3164.7-74.10000107.1A2 V6 L9A2-C4 PolarHBondContact O-N 2.93Å; C4-V6 PolarHBondContact O-N 3.38Å; C4-L9 HydrophobicContact CB-CD1 4.33Å; C4-L9 HydrophobicContact CB-CD2 4.43Å; C4-L9 HydrophobicContact CB-CG 4.24Å
5S76.8Confident73.1Confident41 Ų41105.8 Ų105.829%0.28760%0.599SS.*  trans-61.3138178.767.30000108.5A3 E7 E8 L9A3-S5 PolarHBondContact O-N 2.95Å; A3-S5 VanDerWaalsContact O-N 3.15Å; S5-E7 PolarHBondContact O-N 3.15Å; S5-E7 VanDerWaalsContact O-N 3.11Å; S5-E8 PolarHBondContact O-N 3.47Å; S5-E8 WeakPolarHBondContact OG-CB 3.05Å; S5-E8 WeakPolarHBondContact OG-CG 3.26Å; S5-E8 PolarHBondContact OG-N 3.07Å; S5-E8 PolarHBondContact OG-OE1 3.13Å; S5-L9 PolarHBondContact O-N 2.97Å
6V76.8Confident73.5Confident108 Ų108106.2 Ų106.266%0.65559%0.594SS**Hα-helixtrans-56-29.9179.3176.20000110.8C4 L9 L10C4-V6 PolarHBondContact O-N 3.38Å; V6-L9 PolarHBondContact O-N 2.84Å; V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 WeakPolarHBondContact O-CG 3.17Å; V6-L10 PolarHBondContact O-N 2.94Å
7E78.8Confident73.7Confident156 Ų156105.8 Ų105.873%0.72959%0.587SS**Hα-helixtrans-64.3-43.1174.8-64.2175.9-179.600112.7S5 L9 L10 A11S5-E7 PolarHBondContact O-N 3.15Å; S5-E7 VanDerWaalsContact O-N 3.11Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 2.57Å; E7-L10 PolarHBondContact O-N 3.03Å; E7-A11 WeakPolarHBondContact O-CB 3.37Å; E7-A11 PolarHBondContact O-N 2.72Å
8E82.6Confident73.4Confident105 Ų105103.3 Ų103.349%0.49158%0.582SS.*Hα-helixtrans-67.3-34.1176-78164-135.100112.6S5 K12S5-E8 PolarHBondContact O-N 3.47Å; S5-E8 WeakPolarHBondContact OG-CB 3.05Å; S5-E8 WeakPolarHBondContact OG-CG 3.26Å; S5-E8 PolarHBondContact OG-N 3.07Å; S5-E8 PolarHBondContact OG-OE1 3.13Å; E8-K12 WeakPolarHBondContact O-CB 3.44Å; E8-K12 VanDerWaalsContact O-CG 3.29Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 2.95Å
9L82.6Confident73.2Confident100 Ų100106.5 Ų106.552%0.52459%0.592SS.*Hα-helixtrans-71.2-39176.2-69.3175.9000111.8C4 S5 V6 E7 A13C4-L9 HydrophobicContact CB-CD1 4.33Å; C4-L9 HydrophobicContact CB-CD2 4.43Å; C4-L9 HydrophobicContact CB-CG 4.24Å; S5-L9 PolarHBondContact O-N 2.97Å; V6-L9 PolarHBondContact O-N 2.84Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 2.57Å; L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 3.02Å
10L84.3Confident73.2Confident101 Ų101108.2 Ų108.253%0.52959%0.592SS.*Hα-helixtrans-66.1-44.8173.4-79.3164.3000111.7V6 E7 K12 A13 E14V6-L10 HydrophobicContact CG1-CD1 4.08Å; V6-L10 WeakPolarHBondContact O-CG 3.17Å; V6-L10 PolarHBondContact O-N 2.94Å; E7-L10 PolarHBondContact O-N 3.03Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.04Å; L10-A13 PolarHBondContact O-N 3.1Å; L10-E14 WeakPolarHBondContact O-CG 3.35Å; L10-E14 PolarHBondContact O-N 3.22Å
11A84.7Confident73.1Confident41 Ų41109 Ų10934%0.33960%0.595SS.*Hα-helixtrans-62.5-38.3177.200000112.3E7 E14 Q15E7-A11 WeakPolarHBondContact O-CB 3.37Å; E7-A11 PolarHBondContact O-N 2.72Å; A11-E14 PolarHBondContact O-N 2.6Å; A11-Q15 WeakPolarHBondContact O-CB 3.35Å; A11-Q15 VanDerWaalsContact O-CG 3.24Å; A11-Q15 WeakPolarHBondContact O-CG 3.39Å; A11-Q15 PolarHBondContact O-N 3.47Å
12K85.3Confident74.6Confident110 Ų110105.9 Ų105.948%0.47858%0.575SS.*Hα-helixtrans-66.4-42172.8-77.2174.9-179173.40112.2E8 L10 E14 Q15 E16E8-K12 WeakPolarHBondContact O-CB 3.44Å; E8-K12 VanDerWaalsContact O-CG 3.29Å; E8-K12 WeakPolarHBondContact O-CG 3.29Å; E8-K12 PolarHBondContact O-N 2.95Å; L10-K12 VanDerWaalsContact C-N 3.32Å; L10-K12 PolarHBondContact O-N 3.04Å; K12-E14 VanDerWaalsContact C-N 3.35Å; K12-Q15 PolarHBondContact O-N 2.71Å; K12-E16 WeakPolarHBondContact O-CB 3.44Å; K12-E16 WeakPolarHBondContact O-CG 3.42Å; K12-E16 PolarHBondContact O-N 2.99Å
13A82.4Confident76.3Confident45 Ų45104.8 Ų104.837%0.37256%0.562SS.*Hα-helixtrans-63.9-39.9175.800000111.9L9 L10 E16 E17L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 3.02Å; L10-A13 PolarHBondContact O-N 3.1Å; A13-E16 PolarHBondContact O-N 3.34Å; A13-E17 WeakPolarHBondContact O-CB 3.44Å; A13-E17 VanDerWaalsContact O-CG 3.28Å; A13-E17 WeakPolarHBondContact O-CG 3.5Å; A13-E17 PolarHBondContact O-N 3.36Å
14E82Confident77.8Confident140 Ų140105.4 Ų105.465%0.65455%0.55SS**Hα-helixtrans-64.8-39.3173.8-74.8178.9174.600112.2L10 A11 K12 A18L10-E14 WeakPolarHBondContact O-CG 3.35Å; L10-E14 PolarHBondContact O-N 3.22Å; A11-E14 PolarHBondContact O-N 2.6Å; K12-E14 VanDerWaalsContact C-N 3.35Å; E14-A18 WeakPolarHBondContact O-CB 3.47Å; E14-A18 PolarHBondContact O-N 3.04Å
15Q77.8Confident79.3Confident121 Ų121106 Ų10657%0.56556%0.555SS**Hα-helixtrans-66.2-44.9174.4-75.4173.6300111.8A11 K12 E17 A18 E19A11-Q15 WeakPolarHBondContact O-CB 3.35Å; A11-Q15 VanDerWaalsContact O-CG 3.24Å; A11-Q15 WeakPolarHBondContact O-CG 3.39Å; A11-Q15 PolarHBondContact O-N 3.47Å; K12-Q15 PolarHBondContact O-N 2.71Å; Q15-E17 VanDerWaalsContact C-N 3.34Å; Q15-E17 PolarHBondContact O-N 2.9Å; Q15-A18 CarbonylContact O-C 3.56Å; Q15-A18 PolarHBondContact O-N 3.19Å; Q15-E19 WeakPolarHBondContact O-CB 3.44Å; Q15-E19 VanDerWaalsContact O-CG 3.32Å; Q15-E19 WeakPolarHBondContact O-CG 3.44Å; Q15-E19 PolarHBondContact O-N 3.04Å
16E79.7Confident80Confident112 Ų112105 Ų10552%0.52355%0.547SS..Hα-helixtrans-64.2-38176.5-74177.8-172.400112K12 A13 K20K12-E16 WeakPolarHBondContact O-CB 3.44Å; K12-E16 WeakPolarHBondContact O-CG 3.42Å; K12-E16 PolarHBondContact O-N 2.99Å; A13-E16 PolarHBondContact O-N 3.34Å; E16-K20 VanDerWaalsContact O-CG 3.25Å; E16-K20 WeakPolarHBondContact O-CG 3.23Å; E16-K20 PolarHBondContact O-N 2.91Å; E16-K20 VanDerWaalsContact O-N 3.11Å
17E75.7Confident80.6Confident100 Ų100108.9 Ų108.947%0.46756%0.558SS.*Hα-helixtrans-68.4-40.6172.5-74.3-66.4126.400111.6A13 Q15 E19 K20 L21A13-E17 WeakPolarHBondContact O-CB 3.44Å; A13-E17 VanDerWaalsContact O-CG 3.28Å; A13-E17 WeakPolarHBondContact O-CG 3.5Å; A13-E17 PolarHBondContact O-N 3.36Å; Q15-E17 VanDerWaalsContact C-N 3.34Å; Q15-E17 PolarHBondContact O-N 2.9Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.17Å; E17-K20 WeakPolarHBondContact O-CB 3.27Å; E17-K20 PolarHBondContact O-N 2.95Å; E17-K20 IonicContact OE1-NZ 3.61Å; E17-K20 PolarHBondContact OE1-NZ 3.45Å; E17-L21 VanDerWaalsContact O-CG 3.28Å; E17-L21 WeakPolarHBondContact O-CG 3.29Å; E17-L21 PolarHBondContact O-N 3.38Å
18A68.9Low81.1Confident61 Ų61103.9 Ų103.950%0.50453%0.534SS..Hα-helixtrans-65.7-34.9175.400000112.5E14 Q15 L21E14-A18 WeakPolarHBondContact O-CB 3.47Å; E14-A18 PolarHBondContact O-N 3.04Å; Q15-A18 CarbonylContact O-C 3.56Å; Q15-A18 PolarHBondContact O-N 3.19Å; A18-L21 PolarHBondContact O-N 3.08Å
19E70.2Confident81.3Confident164 Ų164107.7 Ų107.777%0.76655%0.552SS**Hα-helixtrans-70.5-32174.3-75.9179.7176.700112.4Q15 E17 L21Q15-E19 WeakPolarHBondContact O-CB 3.44Å; Q15-E19 VanDerWaalsContact O-CG 3.32Å; Q15-E19 WeakPolarHBondContact O-CG 3.44Å; Q15-E19 PolarHBondContact O-N 3.04Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-E19 PolarHBondContact O-N 3.17Å; E19-L21 VanDerWaalsContact C-N 3.32Å
20K72.2Confident81.8Confident139 Ų139107.4 Ų107.460%0.60455%0.55SS**Hα-helixtrans-68.4-32.3170.8-70.8169-157.6168.80111.8E16 E17E16-K20 VanDerWaalsContact O-CG 3.25Å; E16-K20 WeakPolarHBondContact O-CG 3.23Å; E16-K20 PolarHBondContact O-N 2.91Å; E16-K20 VanDerWaalsContact O-N 3.11Å; E17-K20 WeakPolarHBondContact O-CB 3.27Å; E17-K20 PolarHBondContact O-N 2.95Å; E17-K20 IonicContact OE1-NZ 3.61Å; E17-K20 PolarHBondContact OE1-NZ 3.45Å
21L72.4Confident82Confident125 Ų125109.7 Ų109.765%0.65456%0.563SS**SBendtrans-82.8115.3-180-67.2169.7000110.7E17 A18 E19E17-L21 VanDerWaalsContact O-CG 3.28Å; E17-L21 WeakPolarHBondContact O-CG 3.29Å; E17-L21 PolarHBondContact O-N 3.38Å; A18-L21 PolarHBondContact O-N 3.08Å; E19-L21 VanDerWaalsContact C-N 3.32Å
22K73.5Confident82.4Confident180 Ų180108.4 Ų108.478%0.78355%0.55SS**  trans-60.7150.1172.7-66.8178.6-179.9177.20110.6I24K22-I24 PolarHBondContact O-N 3.04Å
23S84.3Confident82.8Confident79 Ų79108.2 Ų108.255%0.55255%0.551SS**  trans-56.7128.5179.164.50000112.2
24I86.6Confident83.3Confident112 Ų112109.2 Ų109.257%0.57455%0.547SS*.SBendtrans-83.2-18.4177.457.2164.8000113K22 Q70 N74K22-I24 PolarHBondContact O-N 3.04Å; I24-Q70 VanDerWaalsContact O-CG 3.23Å; I24-Q70 WeakPolarHBondContact O-CG 3.19Å; I24-N74 PolarHBondContact O-ND2 3.23Å
25S88.1Confident84Confident85 Ų85102.9 Ų102.959%0.59452%0.518SS*.  trans-85.4135.2174.853.40000110
26V90.6Very high84.7Confident22 Ų2298 Ų9813%0.13350%0.497CS..  trans-129.4123.5177.2-1770000106.8K28 R66 D67 Q70 L71V26-K28 HydrophobicContact CG1-CG 4.39Å; V26-R66 VanDerWaalsContact CG2-NH2 3.28Å; V26-D67 HydrophobicContact CG1-CB 3.86Å; V26-Q70 HydrophobicContact CG2-CB 4.26Å; V26-Q70 HydrophobicContact CG2-CG 4.22Å; V26-L71 HydrophobicContact CB-CD1 4.43Å; V26-L71 HydrophobicContact CB-CD2 4.14Å; V26-L71 HydrophobicContact CB-CG 4.18Å
27Q89.3Confident85.4Confident189 Ų18993.3 Ų93.388%0.88348%0.477SS*.  trans-99.3131.3177.6-67.1179.6-10.300108.9
28K89.5Confident86.3Confident50 Ų5090.9 Ų90.922%0.21747%0.468CS..  trans-130.2159176.1-69.9-169164.7-155.70109.6V26 L32 D43 N68 L71V26-K28 HydrophobicContact CG1-CG 4.39Å; K28-L32 HydrophobicContact CD-CD1 3.67Å; K28-D43 IonicContact NZ-OD2 2.77Å; K28-D43 PolarHBondContact NZ-OD2 3.1Å; K28-N68 WeakPolarHBondContact CE-OD1 3.33Å; K28-N68 PolarHBondContact NZ-OD1 3.47Å; K28-L71 HydrophobicContact CD-CD1 4.41Å
29E88.4Confident87.5Confident185 Ų18592.5 Ų92.586%0.86447%0.467SS*.SBendtrans-65.7-42.1179.4-63.4-178.6173.500111.8
30L91Very high88.6Confident94 Ų9487.9 Ų87.949%0.49245%0.448SS..SBendtrans-115.8137.1172.7-58171.6000110.4N45L30-N45 VanDerWaalsContact CB-OD1 3.29Å; L30-N45 WeakPolarHBondContact CB-OD1 3.24Å; L30-N45 PolarHBondContact N-OD1 2.94Å; L30-N45 PolarHBondContact O-ND2 3.48Å
31D90.6Very high89.7Confident150 Ų15082.9 Ų82.980%0.80243%0.432SS*.PPolyproline II helixtrans-64.6148.2171.6-66.8-33.9000111.3
32L91.9Very high90.8Very high14 Ų1479.7 Ų79.77%0.07342%0.42CS..PPolyproline II helixtrans-80.6146.3178.9-8765.4000111.2K28 F34 A41 D43 N68 L71K28-L32 HydrophobicContact CD-CD1 3.67Å; L32-F34 HydrophobicContact CB-CE1 3.96Å; L32-F34 HydrophobicContact CB-CE2 3.91Å; L32-F34 HydrophobicContact CB-CZ 3.55Å; L32-F34 HydrophobicContact CD2-CE1 4.27Å; L32-F34 HydrophobicContact CD2-CZ 4.37Å; L32-F34 WeakPolarHBondContact O-CD2 3.4Å; L32-F34 WeakPolarHBondContact O-CE2 3.24Å; L32-A41 HydrophobicContact CD2-CB 4.11Å; L32-D43 HydrophobicContact CD2-CB 4.49Å; L32-D43 HydrophobicContact CG-CB 4.27Å; L32-N68 HydrophobicContact CD2-CB 4.29Å; L32-N68 WeakPolarHBondContact CD2-OD1 3.5Å; L32-L71 HydrophobicContact CD1-CD1 3.95Å; L32-L71 HydrophobicContact CD2-CD1 4.12Å
33E93.9Very high91.8Very high105 Ų10573.2 Ų73.249%0.49139%0.394SS..EExtended strand (participates in β ladder)trans-89.5123.3168.6-72179.6174.800109.8C42 K44E33-C42 HydrophobicContact CB-CB 4.02Å; E33-C42 PolarHBondContact N-O 2.96Å; E33-C42 VanDerWaalsContact N-O 3.1Å; E33-C42 PolarHBondContact O-N 2.98Å; E33-K44 WeakPolarHBondContact OE1-CE 3.48Å; E33-K44 IonicContact OE1-NZ 3.12Å; E33-K44 PolarHBondContact OE1-NZ 3.18Å; E33-K44 WeakPolarHBondContact OE2-CE 3.32Å; E33-K44 IonicContact OE2-NZ 3.34Å; E33-K44 PolarHBondContact OE2-NZ 3.36Å
34F93.9Very high92.2Very high67 Ų6775.4 Ų75.429%0.29439%0.393SS..EExtended strand (participates in β ladder)trans-106.8134-177.2-58.6-78.6000111.9L32 V36 A41 L71 L72 E75L32-F34 HydrophobicContact CB-CE1 3.96Å; L32-F34 HydrophobicContact CB-CE2 3.91Å; L32-F34 HydrophobicContact CB-CZ 3.55Å; L32-F34 HydrophobicContact CD2-CE1 4.27Å; L32-F34 HydrophobicContact CD2-CZ 4.37Å; L32-F34 WeakPolarHBondContact O-CD2 3.4Å; L32-F34 WeakPolarHBondContact O-CE2 3.24Å; F34-V36 HydrophobicContact CB-CG2 4.17Å; F34-A41 HydrophobicContact CD1-CB 3.85Å; F34-A41 HydrophobicContact CE1-CB 3.94Å; F34-L71 HydrophobicContact CE1-CB 4.26Å; F34-L71 HydrophobicContact CZ-CB 4.03Å; F34-L72 HydrophobicContact CD1-CD1 4.14Å; F34-L72 HydrophobicContact CE1-CB 4.48Å; F34-E75 HydrophobicContact CD1-CG 4.14Å; F34-E75 HydrophobicContact CD2-CG 3.92Å; F34-E75 HydrophobicContact CE1-CG 4.12Å; F34-E75 HydrophobicContact CE2-CG 3.9Å; F34-E75 HydrophobicContact CG-CG 4.04Å; F34-E75 HydrophobicContact CZ-CG 4Å
35D94.9Very high92.5Very high7 Ų771.4 Ų71.44%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-119.981.5163.7-176.811.4000107.9G37 N38 L39 L40 T96 T97D35-G37 PolarHBondContact O-N 2.86Å; D35-N38 CarbonylContact O-C 3.59Å; D35-N38 PolarHBondContact O-N 3.33Å; D35-N38 PolarHBondContact OD2-ND2 3.44Å; D35-L39 PolarHBondContact O-N 2.86Å; D35-L39 VanDerWaalsContact O-N 3.09Å; D35-L40 HydrophobicContact CB-CB 4.31Å; D35-L40 PolarHBondContact N-O 3.44Å; D35-L40 PolarHBondContact O-N 2.8Å; D35-T96 PolarHBondContact OD1-N 3.4Å; D35-T97 WeakPolarHBondContact OD2-CB 3.44Å; D35-T97 PolarHBondContact OD2-N 2.88Å; D35-T97 PolarHBondContact OD2-OG1 3.26Å
36V93.7Very high92.5Very high19 Ų1977 Ų7712%0.11538%0.381CS..G310 helixtrans-63.7-27.9-173.5-1700000111.7F34 N38 L39 E75 I76 L79 L92 P93F34-V36 HydrophobicContact CB-CG2 4.17Å; V36-N38 PolarHBondContact O-N 3.08Å; V36-L39 PolarHBondContact O-N 3.45Å; V36-L39 VanDerWaalsContact O-N 3.08Å; V36-E75 HydrophobicContact CG2-CB 4.4Å; V36-I76 HydrophobicContact CG1-CG1 3.98Å; V36-L79 HydrophobicContact CG1-CD1 3.66Å; V36-L92 HydrophobicContact CG1-CD2 4.09Å; V36-P93 HydrophobicContact CB-CG 4.08Å
37G93.4Very high92.4Very high12 Ų1279.5 Ų79.512%0.12439%0.393CS..G310 helixtrans-63.6-26.7174.300000113.6D35 P93D35-G37 PolarHBondContact O-N 2.86Å; G37-P93 WeakPolarHBondContact CA-O 3.31Å
38N94.3Very high92.2Very high50 Ų5074.5 Ų74.527%0.26737%0.37SS..G310 helixtrans-105.36.6173.6-74.8-40.9000113D35 V36 L40 Q95D35-N38 CarbonylContact O-C 3.59Å; D35-N38 PolarHBondContact O-N 3.33Å; D35-N38 PolarHBondContact OD2-ND2 3.44Å; V36-N38 PolarHBondContact O-N 3.08Å; N38-L40 HydrophobicContact CB-CB 4.18Å; N38-L40 PolarHBondContact O-N 3.44Å; N38-Q95 VanDerWaalsContact OD1-CG 3.31Å; N38-Q95 WeakPolarHBondContact OD1-CG 3.42Å; N38-Q95 PolarHBondContact OD1-NE2 2.97Å
39L94.3Very high91.9Very high94 Ų9475.9 Ų75.949%0.49238%0.382SS..THydrogen-bonded Turntrans50.642.1-173.4-55.8174000112.1D35 V36 L72 I76 L92D35-L39 PolarHBondContact O-N 2.86Å; D35-L39 VanDerWaalsContact O-N 3.09Å; V36-L39 PolarHBondContact O-N 3.45Å; V36-L39 VanDerWaalsContact O-N 3.08Å; L39-L72 WeakPolarHBondContact O-CD2 3.29Å; L39-I76 HydrophobicContact CD2-CD1 3.75Å; L39-I76 HydrophobicContact CD2-CG1 4.23Å; L39-L92 HydrophobicContact CD2-CD1 4.28Å; L39-L92 HydrophobicContact CD2-CD2 4.12Å
40L94.9Very high91.6Very high67 Ų6776.2 Ų76.235%0.35138%0.376SS..EExtended strand (participates in β ladder)trans-115.2135.9-172.2-175.7156.6000110.3D35 N38 C42D35-L40 HydrophobicContact CB-CB 4.31Å; D35-L40 PolarHBondContact N-O 3.44Å; D35-L40 PolarHBondContact O-N 2.8Å; N38-L40 HydrophobicContact CB-CB 4.18Å; N38-L40 PolarHBondContact O-N 3.44Å; L40-C42 HydrophobicContact CD2-CB 4.43Å; L40-C42 WeakPolarHBondContact CD2-SG 3.47Å
41A95.2Very high91Very high34 Ų3474.7 Ų74.728%0.28137%0.368SS..EExtended strand (participates in β ladder)trans-125.3122.217100000109.8L32 F34 L72L32-A41 HydrophobicContact CD2-CB 4.11Å; F34-A41 HydrophobicContact CD1-CB 3.85Å; F34-A41 HydrophobicContact CE1-CB 3.94Å; A41-L72 HydrophobicContact CB-CB 4.18Å; A41-L72 HydrophobicContact CB-CD1 4.28Å
42C94.3Very high90.6Very high58 Ų5870.7 Ų70.739%0.39235%0.346SS..EExtended strand (participates in β ladder)trans-97.4109.6178.5-84.40000109.7E33 L40E33-C42 HydrophobicContact CB-CB 4.02Å; E33-C42 PolarHBondContact N-O 2.96Å; E33-C42 VanDerWaalsContact N-O 3.1Å; E33-C42 PolarHBondContact O-N 2.98Å; L40-C42 HydrophobicContact CD2-CB 4.43Å; L40-C42 WeakPolarHBondContact CD2-SG 3.47Å
43D94.8Very high90Very high45 Ų4579.2 Ų79.224%0.24138%0.377CS..  trans-91.4115.8173.5-170.2-0.8000110.2K28 L32 N45 N68K28-D43 IonicContact NZ-OD2 2.77Å; K28-D43 PolarHBondContact NZ-OD2 3.1Å; L32-D43 HydrophobicContact CD2-CB 4.49Å; L32-D43 HydrophobicContact CG-CB 4.27Å; D43-N45 VanDerWaalsContact OD1-CB 3.26Å; D43-N45 WeakPolarHBondContact OD1-CB 3.43Å; D43-N45 PolarHBondContact OD1-N 2.89Å; D43-N45 PolarHBondContact OD1-ND2 2.87Å; D43-N68 PolarHBondContact OD2-ND2 3.01Å; D43-N68 PolarHBondContact OD2-OD1 3.21Å
44K93.4Very high89.2Confident125 Ų12579.5 Ų79.554%0.54338%0.379SS..  trans-96.90.6178.7-66.8-177.4177.6177.40113.2E33E33-K44 WeakPolarHBondContact OE1-CE 3.48Å; E33-K44 IonicContact OE1-NZ 3.12Å; E33-K44 PolarHBondContact OE1-NZ 3.18Å; E33-K44 WeakPolarHBondContact OE2-CE 3.32Å; E33-K44 IonicContact OE2-NZ 3.34Å; E33-K44 PolarHBondContact OE2-NZ 3.36Å
45N91.9Very high88.4Confident28 Ų2886.9 Ų86.915%0.1541%0.411CS..SBendtrans-63.9145.6179.8-68.8-68.6000111L30 D43L30-N45 VanDerWaalsContact CB-OD1 3.29Å; L30-N45 WeakPolarHBondContact CB-OD1 3.24Å; L30-N45 PolarHBondContact N-OD1 2.94Å; L30-N45 PolarHBondContact O-ND2 3.48Å; D43-N45 VanDerWaalsContact OD1-CB 3.26Å; D43-N45 WeakPolarHBondContact OD1-CB 3.43Å; D43-N45 PolarHBondContact OD1-N 2.89Å; D43-N45 PolarHBondContact OD1-ND2 2.87Å
46R89.1Confident87.9Confident202 Ų20293.3 Ų93.376%0.76244%0.439SS*.PPolyproline II helixtrans-71.9132.5-179.1-179.5177.5164.8-175.1-12.5110.1E48R46-E48 IonicContact CZ-OE1 2.69Å; R46-E48 IonicContact NE-OE1 3.15Å; R46-E48 PolarHBondContact NE-OE1 2.96Å; R46-E48 IonicContact NH2-OE1 3.91Å; R46-E48 PolarHBondContact NH2-OE1 2.66Å; R46-E48 IonicContact NH2-OE2 3.64Å; R46-E48 PolarHBondContact NH2-OE2 3.47Å
47I88.5Confident87.7Confident75 Ų7598.4 Ų98.439%0.38546%0.456SS..PPolyproline II helixtrans-103.6129.9174-58.1170.6000108.9L52 F60 L64I47-L52 HydrophobicContact CG2-CD1 3.9Å; I47-L52 HydrophobicContact CG2-CD2 4.47Å; I47-L52 HydrophobicContact CG2-CG 4.09Å; I47-F60 HydrophobicContact CG2-CE1 3.84Å; I47-F60 HydrophobicContact CG2-CZ 3.98Å; I47-L64 HydrophobicContact CD1-CD2 3.98Å
48E84.1Confident87.5Confident83 Ų83102.5 Ų102.539%0.38848%0.475SS..PPolyproline II helixtrans-78131.5175.9-68.9-57.8144.300111.4R46 R50 D51R46-E48 IonicContact CZ-OE1 2.69Å; R46-E48 IonicContact NE-OE1 3.15Å; R46-E48 PolarHBondContact NE-OE1 2.96Å; R46-E48 IonicContact NH2-OE1 3.91Å; R46-E48 PolarHBondContact NH2-OE1 2.66Å; R46-E48 IonicContact NH2-OE2 3.64Å; R46-E48 PolarHBondContact NH2-OE2 3.47Å; E48-R50 PolarHBondContact O-N 3.09Å; E48-R50 VanDerWaalsContact O-N 3.13Å; E48-D51 PolarHBondContact O-N 3.11Å
49T82.8Confident87.4Confident79 Ų79104.6 Ų104.649%0.48549%0.486SS..THydrogen-bonded Turntrans-71.4-8.1-175.258.40000114.1R53T49-R53 PolarHBondContact O-NE 3.24Å; T49-R53 PolarHBondContact OG1-NH2 3.04Å
50R82.9Confident87.2Confident192 Ų192102.9 Ų102.973%0.72548%0.475SS*.THydrogen-bonded Turntrans-76.2-46176.5-66.4-178.6-179.9-1800.4110.4E48 L52 R53 E54E48-R50 PolarHBondContact O-N 3.09Å; E48-R50 VanDerWaalsContact O-N 3.13Å; R50-L52 PolarHBondContact O-N 3.26Å; R50-L52 VanDerWaalsContact O-N 3.15Å; R50-R53 PolarHBondContact O-N 3.46Å; R50-E54 PolarHBondContact O-N 3.32Å
51D79.3Confident87.1Confident63 Ų63103.1 Ų103.134%0.33748%0.476SS..THydrogen-bonded Turntrans-62.6-26.8-178.7-55.3-24.8000112.6E48 F60E48-D51 PolarHBondContact O-N 3.11Å; D51-F60 HydrophobicContact CB-CD1 4.27Å; D51-F60 HydrophobicContact CB-CD2 4.04Å; D51-F60 HydrophobicContact CB-CE1 4.34Å; D51-F60 HydrophobicContact CB-CE2 4.1Å; D51-F60 HydrophobicContact CB-CG 4.13Å; D51-F60 HydrophobicContact CB-CZ 4.25Å
52L81Confident87Confident65 Ų65109.7 Ų109.734%0.3449%0.493SS..THydrogen-bonded Turntrans-77.8-19.2176.3-68.6171000114.2I47 R50 R57 F60 L61I47-L52 HydrophobicContact CG2-CD1 3.9Å; I47-L52 HydrophobicContact CG2-CD2 4.47Å; I47-L52 HydrophobicContact CG2-CG 4.09Å; R50-L52 PolarHBondContact O-N 3.26Å; R50-L52 VanDerWaalsContact O-N 3.15Å; L52-R57 WeakPolarHBondContact O-CD 3.35Å; L52-R57 WeakPolarHBondContact O-CG 3.19Å; L52-F60 HydrophobicContact CD2-CD1 4.4Å; L52-F60 HydrophobicContact CD2-CE1 4.35Å; L52-L61 HydrophobicContact CD2-CD2 4.03Å
53R78.8Confident86.8Confident193 Ų193109.3 Ų109.373%0.72849%0.494SS*.THydrogen-bonded Turntrans-99-16.8-174.6-80-176.1-89.5-163.5-4.8113.9T49 R50T49-R53 PolarHBondContact O-NE 3.24Å; T49-R53 PolarHBondContact OG1-NH2 3.04Å; R50-R53 PolarHBondContact O-N 3.46Å
54E77.9Confident86.7Confident112 Ų112109 Ų10952%0.52349%0.493SS..SBendtrans-76.2162.1-177-69.7-171.6177.300113.5R50 K56 R57R50-E54 PolarHBondContact O-N 3.32Å; E54-K56 PolarHBondContact O-N 3.31Å; E54-R57 WeakPolarHBondContact O-CB 3.34Å; E54-R57 PolarHBondContact O-N 3.42Å
55K77.7Confident86.7Confident222 Ų222105.5 Ų105.597%0.96549%0.487SS*.THydrogen-bonded Turntrans-54.8-20.6172.5-70.2-179179177.90112.9
56K83.3Confident86.8Confident142 Ų142108.5 Ų108.562%0.61750%0.496SS*.THydrogen-bonded Turntrans-90.19.8179.1-64.1-178.8178.9177.20114.7E54 N58 D59 F60E54-K56 PolarHBondContact O-N 3.31Å; K56-N58 VanDerWaalsContact C-N 3.29Å; K56-N58 PolarHBondContact O-N 2.92Å; K56-D59 PolarHBondContact O-N 3.44Å; K56-F60 PolarHBondContact O-N 2.8Å; K56-F60 VanDerWaalsContact O-N 3.08Å
57R89.1Confident87Confident126 Ų126100.8 Ų100.848%0.47547%0.47SS..Hα-helixtrans-47.3-47.6-179-176.9-17480.91602.8113.9L52 E54 D59 F60 L61L52-R57 WeakPolarHBondContact O-CD 3.35Å; L52-R57 WeakPolarHBondContact O-CG 3.19Å; E54-R57 WeakPolarHBondContact O-CB 3.34Å; E54-R57 PolarHBondContact O-N 3.42Å; R57-D59 VanDerWaalsContact C-N 3.31Å; R57-D59 PolarHBondContact O-N 2.96Å; R57-F60 PolarHBondContact O-N 3.14Å; R57-L61 HydrophobicContact CG-CD1 4.06Å; R57-L61 HydrophobicContact CG-CG 4.45Å; R57-L61 WeakPolarHBondContact O-CG 3.24Å; R57-L61 PolarHBondContact O-N 3.47Å
58N90.4Very high87.3Confident97 Ų9798.5 Ų98.552%0.51946%0.459SS..Hα-helixtrans-67.9-33.5-175.8-66.8-21.6000112K56 R62K56-N58 VanDerWaalsContact C-N 3.29Å; K56-N58 PolarHBondContact O-N 2.92Å; N58-R62 VanDerWaalsContact O-CB 3.24Å; N58-R62 WeakPolarHBondContact O-CB 3.31Å; N58-R62 PolarHBondContact O-N 2.96Å
59D91Very high87.9Confident95 Ų9598 Ų9851%0.50846%0.461SS..Hα-helixtrans-70.9-40.7177.5-61.4-34.7000110.6K56 R57 R62 A63K56-D59 PolarHBondContact O-N 3.44Å; R57-D59 VanDerWaalsContact C-N 3.31Å; R57-D59 PolarHBondContact O-N 2.96Å; D59-R62 PolarHBondContact O-N 3.31Å; D59-A63 WeakPolarHBondContact O-CB 3.43Å; D59-A63 PolarHBondContact O-N 3.29Å
60F90.8Very high88.4Confident58 Ų5896.4 Ų96.425%0.25445%0.448SS..Hα-helixtrans-60.2-50.7172.4174.5-99.7000112I47 D51 L52 K56 R57 R62 A63 L64I47-F60 HydrophobicContact CG2-CE1 3.84Å; I47-F60 HydrophobicContact CG2-CZ 3.98Å; D51-F60 HydrophobicContact CB-CD1 4.27Å; D51-F60 HydrophobicContact CB-CD2 4.04Å; D51-F60 HydrophobicContact CB-CE1 4.34Å; D51-F60 HydrophobicContact CB-CE2 4.1Å; D51-F60 HydrophobicContact CB-CG 4.13Å; D51-F60 HydrophobicContact CB-CZ 4.25Å; L52-F60 HydrophobicContact CD2-CD1 4.4Å; L52-F60 HydrophobicContact CD2-CE1 4.35Å; K56-F60 PolarHBondContact O-N 2.8Å; K56-F60 VanDerWaalsContact O-N 3.08Å; R57-F60 PolarHBondContact O-N 3.14Å; F60-R62 VanDerWaalsContact C-N 3.27Å; F60-R62 PolarHBondContact O-N 3.48Å; F60-A63 PolarHBondContact O-N 3.22Å; F60-L64 WeakPolarHBondContact O-CB 3.47Å; F60-L64 PolarHBondContact O-N 3.02Å
61L91.8Very high89Confident71 Ų7188.8 Ų88.837%0.37242%0.422SS..Hα-helixtrans-61.4-36.8178.1-70.2175.4000112.1L52 R57 A65L52-L61 HydrophobicContact CD2-CD2 4.03Å; R57-L61 HydrophobicContact CG-CD1 4.06Å; R57-L61 HydrophobicContact CG-CG 4.45Å; R57-L61 WeakPolarHBondContact O-CG 3.24Å; R57-L61 PolarHBondContact O-N 3.47Å; L61-A65 WeakPolarHBondContact O-CB 3.19Å; L61-A65 PolarHBondContact O-N 3.25Å
62R93.4Very high89.7Confident173 Ų17386.9 Ų86.965%0.65341%0.412SS*.Hα-helixtrans-66.7-42.8176-176.2-177.8-66.4160.1-1111.6N58 D59 F60 A65 R66N58-R62 VanDerWaalsContact O-CB 3.24Å; N58-R62 WeakPolarHBondContact O-CB 3.31Å; N58-R62 PolarHBondContact O-N 2.96Å; D59-R62 PolarHBondContact O-N 3.31Å; F60-R62 VanDerWaalsContact C-N 3.27Å; F60-R62 PolarHBondContact O-N 3.48Å; R62-A65 PolarHBondContact O-N 3.01Å; R62-R66 VanDerWaalsContact O-CB 3.29Å; R62-R66 WeakPolarHBondContact O-CB 3.36Å; R62-R66 PolarHBondContact O-N 3.37Å
63A91.4Very high90.4Very high50 Ų5087.3 Ų87.341%0.41341%0.413SS..Hα-helixtrans-62-49.9175.400000110.8D59 F60 A65 R66 D67D59-A63 WeakPolarHBondContact O-CB 3.43Å; D59-A63 PolarHBondContact O-N 3.29Å; F60-A63 PolarHBondContact O-N 3.22Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 2.77Å; A63-R66 WeakPolarHBondContact O-CB 3.47Å; A63-R66 PolarHBondContact O-N 2.63Å; A63-D67 VanDerWaalsContact O-CG 3.25Å; A63-D67 PolarHBondContact O-N 3.35Å
64L92.2Very high91.1Very high39 Ų3980.1 Ų80.120%0.20439%0.389CS..Hα-helixtrans-58.2-44.1176.7-173.375.6000112.4I47 F60 D67 N68I47-L64 HydrophobicContact CD1-CD2 3.98Å; F60-L64 WeakPolarHBondContact O-CB 3.47Å; F60-L64 PolarHBondContact O-N 3.02Å; L64-D67 PolarHBondContact O-N 3.3Å; L64-N68 PolarHBondContact O-N 2.98Å; L64-N68 VanDerWaalsContact O-N 3.08Å; L64-N68 PolarHBondContact O-ND2 3.28Å
65A93.7Very high91.8Very high51 Ų5177.5 Ų77.542%0.42138%0.377SS..Hα-helixtrans-64.9-43.3177.500000111.4L61 R62 A63 D67 N68 T69L61-A65 WeakPolarHBondContact O-CB 3.19Å; L61-A65 PolarHBondContact O-N 3.25Å; R62-A65 PolarHBondContact O-N 3.01Å; A63-A65 VanDerWaalsContact C-N 3.34Å; A63-A65 PolarHBondContact O-N 2.77Å; A65-D67 VanDerWaalsContact C-N 3.32Å; A65-D67 PolarHBondContact O-N 3.09Å; A65-N68 PolarHBondContact O-N 3.16Å; A65-T69 WeakPolarHBondContact O-CB 3.38Å; A65-T69 VanDerWaalsContact O-CG2 3.27Å; A65-T69 WeakPolarHBondContact O-CG2 3.41Å; A65-T69 PolarHBondContact O-N 2.93Å; A65-T69 PolarHBondContact O-OG1 3.5Å
66R94.1Very high92.6Very high90 Ų9068.9 Ų68.934%0.3434%0.341SS..Hα-helixtrans-57.9-45.2176.1-179.1-127.369.3118.9-11.8111.4V26 R62 A63 T69 Q70V26-R66 VanDerWaalsContact CG2-NH2 3.28Å; R62-R66 VanDerWaalsContact O-CB 3.29Å; R62-R66 WeakPolarHBondContact O-CB 3.36Å; R62-R66 PolarHBondContact O-N 3.37Å; A63-R66 WeakPolarHBondContact O-CB 3.47Å; A63-R66 PolarHBondContact O-N 2.63Å; R66-T69 PolarHBondContact O-OG1 2.86Å; R66-T69 VanDerWaalsContact O-OG1 3.1Å; R66-Q70 VanDerWaalsContact O-CB 3.31Å; R66-Q70 WeakPolarHBondContact O-CB 3.36Å; R66-Q70 PolarHBondContact O-N 2.93Å
67D93.4Very high93Very high41 Ų4171.4 Ų71.422%0.21935%0.347CS..Hα-helixtrans-60.5-49178.8-72.219.3000111.2V26 A63 L64 A65 Q70 L71V26-D67 HydrophobicContact CG1-CB 3.86Å; A63-D67 VanDerWaalsContact O-CG 3.25Å; A63-D67 PolarHBondContact O-N 3.35Å; L64-D67 PolarHBondContact O-N 3.3Å; A65-D67 VanDerWaalsContact C-N 3.32Å; A65-D67 PolarHBondContact O-N 3.09Å; D67-Q70 PolarHBondContact O-N 3.05Å; D67-L71 PolarHBondContact O-N 3.44Å
68N94.9Very high93.2Very high27 Ų2772.4 Ų72.414%0.14436%0.355CS..Hα-helixtrans-68.4-41-178.8-73.2-16.7000112.8K28 L32 D43 L64 A65 Q70 L71 L72K28-N68 WeakPolarHBondContact CE-OD1 3.33Å; K28-N68 PolarHBondContact NZ-OD1 3.47Å; L32-N68 HydrophobicContact CD2-CB 4.29Å; L32-N68 WeakPolarHBondContact CD2-OD1 3.5Å; D43-N68 PolarHBondContact OD2-ND2 3.01Å; D43-N68 PolarHBondContact OD2-OD1 3.21Å; L64-N68 PolarHBondContact O-N 2.98Å; L64-N68 VanDerWaalsContact O-N 3.08Å; L64-N68 PolarHBondContact O-ND2 3.28Å; A65-N68 PolarHBondContact O-N 3.16Å; N68-Q70 VanDerWaalsContact C-N 3.35Å; N68-L71 PolarHBondContact O-N 3.5Å; N68-L72 PolarHBondContact O-N 2.95Å
69T95.1Very high93.3Very high72 Ų7269.5 Ų69.544%0.44234%0.339SS..Hα-helixtrans-68.8-35.5177.455.90000111.7A65 R66 L72 I73A65-T69 WeakPolarHBondContact O-CB 3.38Å; A65-T69 VanDerWaalsContact O-CG2 3.27Å; A65-T69 WeakPolarHBondContact O-CG2 3.41Å; A65-T69 PolarHBondContact O-N 2.93Å; A65-T69 PolarHBondContact O-OG1 3.5Å; R66-T69 PolarHBondContact O-OG1 2.86Å; R66-T69 VanDerWaalsContact O-OG1 3.1Å; T69-L72 PolarHBondContact O-N 2.95Å; T69-I73 WeakPolarHBondContact O-CB 3.18Å; T69-I73 VanDerWaalsContact O-CG1 3.24Å; T69-I73 WeakPolarHBondContact O-CG1 3.17Å; T69-I73 PolarHBondContact O-N 2.97Å
70Q94.3Very high93.4Very high45 Ų4569 Ų6921%0.2134%0.341CS..Hα-helixtrans-59.9-47.3175.1-174.164.555.200111I24 V26 R66 D67 N68 I73 N74I24-Q70 VanDerWaalsContact O-CG 3.23Å; I24-Q70 WeakPolarHBondContact O-CG 3.19Å; V26-Q70 HydrophobicContact CG2-CB 4.26Å; V26-Q70 HydrophobicContact CG2-CG 4.22Å; R66-Q70 VanDerWaalsContact O-CB 3.31Å; R66-Q70 WeakPolarHBondContact O-CB 3.36Å; R66-Q70 PolarHBondContact O-N 2.93Å; D67-Q70 PolarHBondContact O-N 3.05Å; N68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-I73 PolarHBondContact O-N 3.16Å; Q70-N74 PolarHBondContact NE2-OD1 3.11Å; Q70-N74 WeakPolarHBondContact O-CB 3.34Å; Q70-N74 PolarHBondContact O-N 3.44Å; Q70-N74 PolarHBondContact O-ND2 2.9Å; Q70-N74 PolarHBondContact O-OD1 3.04Å; Q70-N74 VanDerWaalsContact O-OD1 3.14Å
71L94.7Very high93.5Very high33 Ų3370 Ų7017%0.17335%0.352CS..Hα-helixtrans-63.2-42.8177.5-68.1175.5000112.1V26 K28 L32 F34 D67 N68 I73 N74 E75V26-L71 HydrophobicContact CB-CD1 4.43Å; V26-L71 HydrophobicContact CB-CD2 4.14Å; V26-L71 HydrophobicContact CB-CG 4.18Å; K28-L71 HydrophobicContact CD-CD1 4.41Å; L32-L71 HydrophobicContact CD1-CD1 3.95Å; L32-L71 HydrophobicContact CD2-CD1 4.12Å; F34-L71 HydrophobicContact CE1-CB 4.26Å; F34-L71 HydrophobicContact CZ-CB 4.03Å; D67-L71 PolarHBondContact O-N 3.44Å; N68-L71 PolarHBondContact O-N 3.5Å; L71-I73 PolarHBondContact O-N 2.94Å; L71-N74 WeakPolarHBondContact O-CB 3.46Å; L71-N74 PolarHBondContact O-N 3.1Å; L71-E75 PolarHBondContact O-N 3.28Å; L71-E75 VanDerWaalsContact O-N 3.11Å
72L95Very high93.5Very high23 Ų2370.6 Ų70.612%0.1235%0.353CS..Hα-helixtrans-61.8-44.3176.2177.463.2000112.1F34 L39 A41 N68 T69 N74 E75 I76F34-L72 HydrophobicContact CD1-CD1 4.14Å; F34-L72 HydrophobicContact CE1-CB 4.48Å; L39-L72 WeakPolarHBondContact O-CD2 3.29Å; A41-L72 HydrophobicContact CB-CB 4.18Å; A41-L72 HydrophobicContact CB-CD1 4.28Å; N68-L72 PolarHBondContact O-N 2.95Å; T69-L72 PolarHBondContact O-N 2.95Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-E75 PolarHBondContact O-N 2.95Å; L72-I76 HydrophobicContact CD1-CD1 4.41Å; L72-I76 HydrophobicContact CG-CD1 4.09Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 2.99Å
73I94.8Very high93.4Very high73 Ų7372.4 Ų72.437%0.37436%0.36SS..Hα-helixtrans-63.4-42.4177.6-73.4171.8000110.1T69 Q70 L71 E75 I76 W77T69-I73 WeakPolarHBondContact O-CB 3.18Å; T69-I73 VanDerWaalsContact O-CG1 3.24Å; T69-I73 WeakPolarHBondContact O-CG1 3.17Å; T69-I73 PolarHBondContact O-N 2.97Å; Q70-I73 PolarHBondContact O-N 3.16Å; L71-I73 PolarHBondContact O-N 2.94Å; I73-E75 VanDerWaalsContact C-N 3.26Å; I73-E75 PolarHBondContact O-N 2.82Å; I73-I76 PolarHBondContact O-N 3.18Å; I73-I76 VanDerWaalsContact O-N 3.09Å; I73-W77 PolarHBondContact O-N 3.4Å
74N93.8Very high93.3Very high42 Ų4273.7 Ų73.723%0.22536%0.362CS..Hα-helixtrans-57.3-40175.8-66.5-9.2000111.6I24 Q70 L71 L72 K78I24-N74 PolarHBondContact O-ND2 3.23Å; Q70-N74 PolarHBondContact NE2-OD1 3.11Å; Q70-N74 WeakPolarHBondContact O-CB 3.34Å; Q70-N74 PolarHBondContact O-N 3.44Å; Q70-N74 PolarHBondContact O-ND2 2.9Å; Q70-N74 PolarHBondContact O-OD1 3.04Å; Q70-N74 VanDerWaalsContact O-OD1 3.14Å; L71-N74 WeakPolarHBondContact O-CB 3.46Å; L71-N74 PolarHBondContact O-N 3.1Å; L72-N74 VanDerWaalsContact C-N 3.33Å; N74-K78 WeakPolarHBondContact O-CG 3.27Å; N74-K78 PolarHBondContact O-N 2.91Å
75E93.1Very high93.1Very high58 Ų5881 Ų8127%0.27140%0.395SS..Hα-helixtrans-67.8-39174.5-69-54.1137.200113F34 V36 L71 L72 I73 W77 K78F34-E75 HydrophobicContact CD1-CG 4.14Å; F34-E75 HydrophobicContact CD2-CG 3.92Å; F34-E75 HydrophobicContact CE1-CG 4.12Å; F34-E75 HydrophobicContact CE2-CG 3.9Å; F34-E75 HydrophobicContact CG-CG 4.04Å; F34-E75 HydrophobicContact CZ-CG 4Å; V36-E75 HydrophobicContact CG2-CB 4.4Å; L71-E75 PolarHBondContact O-N 3.28Å; L71-E75 VanDerWaalsContact O-N 3.11Å; L72-E75 PolarHBondContact O-N 2.95Å; I73-E75 VanDerWaalsContact C-N 3.26Å; I73-E75 PolarHBondContact O-N 2.82Å; E75-W77 VanDerWaalsContact C-N 3.34Å; E75-W77 PolarHBondContact O-N 2.84Å; E75-K78 WeakPolarHBondContact O-CB 3.48Å; E75-K78 PolarHBondContact O-N 3.5Å; E75-K78 IonicContact OE1-NZ 2.95Å; E75-K78 PolarHBondContact OE1-NZ 3.33Å; E75-K78 IonicContact OE2-NZ 2.93Å
76I93.8Very high92.9Very high41 Ų4187.8 Ų87.821%0.2142%0.418CS..Hα-helixtrans-63-41.1177.1-66.9163.2000111V36 L39 L72 I73 K78 L79V36-I76 HydrophobicContact CG1-CG1 3.98Å; L39-I76 HydrophobicContact CD2-CD1 3.75Å; L39-I76 HydrophobicContact CD2-CG1 4.23Å; L72-I76 HydrophobicContact CD1-CD1 4.41Å; L72-I76 HydrophobicContact CG-CD1 4.09Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 2.99Å; I73-I76 PolarHBondContact O-N 3.18Å; I73-I76 VanDerWaalsContact O-N 3.09Å; I76-K78 PolarHBondContact O-N 2.86Å; I76-L79 VanDerWaalsContact O-CB 3.27Å; I76-L79 WeakPolarHBondContact O-CB 3.28Å; I76-L79 WeakPolarHBondContact O-CG 3.48Å; I76-L79 PolarHBondContact O-N 2.97Å; I76-L79 VanDerWaalsContact O-N 3.11Å
77W92.3Very high92.7Very high195 Ų19587.9 Ų87.974%0.73943%0.429SS*.Hα-helixtrans-71.2-16179.8-75.7107.3000114.2I73 E75 L79I73-W77 PolarHBondContact O-N 3.4Å; E75-W77 VanDerWaalsContact C-N 3.34Å; E75-W77 PolarHBondContact O-N 2.84Å; W77-L79 VanDerWaalsContact C-N 3.26Å
78K92.8Very high92.6Very high146 Ų14691.1 Ų91.164%0.63545%0.445SS*.THydrogen-bonded Turntrans-75.1-15.8170.8-68.6169.7-173.1175.50112.7N74 E75 I76N74-K78 WeakPolarHBondContact O-CG 3.27Å; N74-K78 PolarHBondContact O-N 2.91Å; E75-K78 WeakPolarHBondContact O-CB 3.48Å; E75-K78 PolarHBondContact O-N 3.5Å; E75-K78 IonicContact OE1-NZ 2.95Å; E75-K78 PolarHBondContact OE1-NZ 3.33Å; E75-K78 IonicContact OE2-NZ 2.93Å; I76-K78 PolarHBondContact O-N 2.86Å
79L93Very high92.5Very high36 Ų3693.2 Ų93.219%0.18846%0.458CS..SBendtrans-72.3152.2-177.8-64.7-180000112.3V36 I76 W77 T81 A90 L92V36-L79 HydrophobicContact CG1-CD1 3.66Å; I76-L79 VanDerWaalsContact O-CB 3.27Å; I76-L79 WeakPolarHBondContact O-CB 3.28Å; I76-L79 WeakPolarHBondContact O-CG 3.48Å; I76-L79 PolarHBondContact O-N 2.97Å; I76-L79 VanDerWaalsContact O-N 3.11Å; W77-L79 VanDerWaalsContact C-N 3.26Å; L79-T81 PolarHBondContact O-N 3.06Å; L79-A90 HydrophobicContact CB-CB 4.41Å; L79-L92 HydrophobicContact CD1-CD2 3.73Å
80P93.8Very high92.4Very high85 Ų8591.1 Ų91.155%0.55245%0.449SS*.PPolyproline II helixtrans-62.4126.3174.825.7-33.2000110.5K91P80-K91 HydrophobicContact CG-CB 4.38Å; P80-K91 PolarHBondContact O-N 3.26Å
81T92.4Very high92.3Very high78 Ų7894.4 Ų94.448%0.47946%0.462SS..EExtended strand (participates in β ladder)trans-99.7139.3176.6520000110.5L79 I88 V89 A90L79-T81 PolarHBondContact O-N 3.06Å; T81-I88 HydrophobicContact CG2-CG2 4.24Å; T81-V89 CarbonylContact C-O 3.27Å; T81-V89 WeakPolarHBondContact CA-O 3.36Å; T81-A90 HydrophobicContact CG2-CB 4.34Å
82E92.2Very high92.2Very high85 Ų8596.8 Ų96.840%0.39748%0.475SS..EExtended strand (participates in β ladder)trans-124.7144.7175-68-171.4172.400109.8V89 K91E82-V89 PolarHBondContact N-O 2.9Å; E82-V89 PolarHBondContact O-N 3.18Å; E82-K91 HydrophobicContact CG-CD 4.48Å; E82-K91 VanDerWaalsContact OE1-CE 3.27Å; E82-K91 WeakPolarHBondContact OE1-CE 3.25Å; E82-K91 IonicContact OE1-NZ 2.66Å; E82-K91 PolarHBondContact OE1-NZ 3.16Å; E82-K91 WeakPolarHBondContact OE2-CE 3.28Å; E82-K91 IonicContact OE2-NZ 3.56Å; E82-K91 PolarHBondContact OE2-NZ 2.95Å
83R90.9Very high92.1Very high210 Ų21098.8 Ų98.879%0.79249%0.489SS*.EExtended strand (participates in β ladder)trans-89.8112169.8-71.4-176.4178.2174.8-0.6108.1I88R83-I88 HydrophobicContact CG-CG1 4.19Å
84V88Confident92.1Very high78 Ų78104 Ų10447%0.47351%0.512SS..EExtended strand (participates in β ladder)trans-108.2113.6172.4-177.80000106.2E86 V87V84-E86 PolarHBondContact O-N 3.11Å; V84-E86 VanDerWaalsContact O-N 3.14Å; V84-V87 PolarHBondContact N-O 3.08Å; V84-V87 PolarHBondContact O-N 3.45Å; V84-V87 VanDerWaalsContact O-N 3.08Å
85E88.4Confident92.1Very high191 Ų191107.7 Ų107.789%0.89353%0.528SS*.THydrogen-bonded Turntrans58.4-110.3-172.1-56.1172.3-179.600111.1
86E89.8Confident92Very high194 Ų194110 Ų11091%0.90755%0.546SS*.THydrogen-bonded Turntrans-108.51.8179.9-63.9-178.3172.900113V84V84-E86 PolarHBondContact O-N 3.11Å; V84-E86 VanDerWaalsContact O-N 3.14Å
87V91.2Very high92Very high93 Ų93111.1 Ų111.156%0.56456%0.555SS**EExtended strand (participates in β ladder)trans-113.3136-173.9-173.50000111.4V84 V89V84-V87 PolarHBondContact N-O 3.08Å; V84-V87 PolarHBondContact O-N 3.45Å; V84-V87 VanDerWaalsContact O-N 3.08Å; V87-V89 HydrophobicContact CG1-CG2 4.12Å
88I91.1Very high92Very high108 Ų108113.5 Ų113.555%0.55456%0.564SS**EExtended strand (participates in β ladder)trans-83.2120.2172.7-56.7173.1000108.1T81 R83T81-I88 HydrophobicContact CG2-CG2 4.24Å; R83-I88 HydrophobicContact CG-CG1 4.19Å
89V93Very high91.9Very high71 Ų71112.1 Ų112.143%0.4356%0.563SS.*EExtended strand (participates in β ladder)trans-124.2137.6-178.4-176.50000109.4T81 E82 V87T81-V89 CarbonylContact C-O 3.27Å; T81-V89 WeakPolarHBondContact CA-O 3.36Å; E82-V89 PolarHBondContact N-O 2.9Å; E82-V89 PolarHBondContact O-N 3.18Å; V87-V89 HydrophobicContact CG1-CG2 4.12Å
90A92.1Very high92Very high29 Ų29116.3 Ų116.324%0.2459%0.592CS.*EExtended strand (participates in β ladder)trans-90.9137.7172.700000110.9L79 T81 L92L79-A90 HydrophobicContact CB-CB 4.41Å; T81-A90 HydrophobicContact CG2-CB 4.34Å; A90-L92 PolarHBondContact O-N 2.72Å
91K91.8Very high92.2Very high113 Ų113120.9 Ų120.949%0.49160%0.598SS.*  trans-81.3105.3172.9-79.5-178.7163.9167.70110.4P80 E82P80-K91 HydrophobicContact CG-CB 4.38Å; P80-K91 PolarHBondContact O-N 3.26Å; E82-K91 HydrophobicContact CG-CD 4.48Å; E82-K91 VanDerWaalsContact OE1-CE 3.27Å; E82-K91 WeakPolarHBondContact OE1-CE 3.25Å; E82-K91 IonicContact OE1-NZ 2.66Å; E82-K91 PolarHBondContact OE1-NZ 3.16Å; E82-K91 WeakPolarHBondContact OE2-CE 3.28Å; E82-K91 IonicContact OE2-NZ 3.56Å; E82-K91 PolarHBondContact OE2-NZ 2.95Å
92L92.8Very high92.2Very high84 Ų84125.2 Ų125.244%0.4461%0.613SS.*PPolyproline II helixtrans-72.7142.9176.6-59.1178.5000111.4V36 L39 L79 A90V36-L92 HydrophobicContact CG1-CD2 4.09Å; L39-L92 HydrophobicContact CD2-CD1 4.28Å; L39-L92 HydrophobicContact CD2-CD2 4.12Å; L79-L92 HydrophobicContact CD1-CD2 3.73Å; A90-L92 PolarHBondContact O-N 2.72Å
93P93.8Very high92.4Very high65 Ų65127.4 Ų127.442%0.42262%0.621SS.*PPolyproline II helixtrans-71.8170174.131.2-35.4000112.2V36 G37V36-P93 HydrophobicContact CB-CG 4.08Å; G37-P93 WeakPolarHBondContact CA-O 3.31Å
94E93.2Very high92.6Very high181 Ų181122.4 Ų122.485%0.84662%0.616SS**PPolyproline II helixtrans-62.3145.6171.5-66.5-170.6172.400111.4T96E94-T96 PolarHBondContact O-N 2.99Å
95Q93.9Very high92.8Very high121 Ų121123 Ų12357%0.56562%0.622SS**PPolyproline II helixtrans-66.9129.1-177.5-63.7172.1-1100111.1N38N38-Q95 VanDerWaalsContact OD1-CG 3.31Å; N38-Q95 WeakPolarHBondContact OD1-CG 3.42Å; N38-Q95 PolarHBondContact OD1-NE2 2.97Å
96T92.5Very high93Very high107 Ų107119.7 Ų119.766%0.65662%0.616SS**  trans-85.1-35.3179.3-55.90000111.5D35 E94 R98D35-T96 PolarHBondContact OD1-N 3.4Å; E94-T96 PolarHBondContact O-N 2.99Å; T96-R98 PolarHBondContact O-N 3.06Å
97T92.2Very high93Very high64 Ų64119.3 Ų119.339%0.39361%0.612SS.*SBendtrans-70.5115.5-179.5-54.60000111D35 L99D35-T97 WeakPolarHBondContact OD2-CB 3.44Å; D35-T97 PolarHBondContact OD2-N 2.88Å; D35-T97 PolarHBondContact OD2-OG1 3.26Å; T97-L99 HydrophobicContact CG2-CD2 4.18Å; T97-L99 PolarHBondContact O-N 3.19Å; T97-L99 VanDerWaalsContact O-N 3.16Å
98R92.7Very high92.9Very high244 Ų244120.6 Ų120.692%0.92162%0.622SS**  trans-74.9105179-68-177.5177.3-112.2-1.7110.9T96T96-R98 PolarHBondContact O-N 3.06Å
99L91.6Very high92.7Very high117 Ų117125 Ų12561%0.61364%0.637SS**PPolyproline II helixtrans-92.7142.3174.8-60.7176.7000111.7T97T97-L99 HydrophobicContact CG2-CD2 4.18Å; T97-L99 PolarHBondContact O-N 3.19Å; T97-L99 VanDerWaalsContact O-N 3.16Å
100P95.7Very high92.4Very high124 Ų124125.2 Ų125.281%0.80564%0.64SS**PPolyproline II helixtrans-67.2141.2174.128.7-33.8000110.6
101R96.1Very high92.4Very high182 Ų182127.5 Ų127.569%0.68765%0.653SS**PPolyproline II helixtrans-73.1141.8176.4-65173.959.293.73.3110.7K103R101-K103 VanDerWaalsContact C-N 3.31Å; R101-K103 WeakPolarHBondContact CB-O 3.15Å; R101-K103 PolarHBondContact NE-O 3.08Å; R101-K103 PolarHBondContact O-N 3.44Å
102E94.4Very high92.4Very high169 Ų169124.3 Ų124.379%0.7964%0.643SS**SBendtrans-61.3-41.3170.2-172.6-156.9145.800111.6
103K95.3Very high92.4Very high131 Ų131126.7 Ų126.757%0.5765%0.65SS**SBendtrans-120.3142.4-175.2-68.8173.8-174.6155.70111.7R101R101-K103 VanDerWaalsContact C-N 3.31Å; R101-K103 WeakPolarHBondContact CB-O 3.15Å; R101-K103 PolarHBondContact NE-O 3.08Å; R101-K103 PolarHBondContact O-N 3.44Å
104P94.8Very high92.3Very high104 Ų104131.4 Ų131.468%0.67566%0.659SS**PPolyproline II helixtrans-59.4153.617326.9-34.4000110.2
105P92Very high92.3Very high92 Ų92127.6 Ų127.660%0.59764%0.641SS**PPolyproline II helixtrans-58144.2174.925.5-33.6000110.3K107P105-K107 PolarHBondContact O-N 3.06Å; P105-K107 VanDerWaalsContact O-N 3.16Å
106P93.8Very high92.2Very high120 Ų120126.6 Ų126.678%0.77964%0.637SS**PPolyproline II helixtrans-60.1123.1179.725.2-33.2000109.5
107K89.4Confident92.4Very high186 Ų186125.8 Ų125.881%0.80962%0.624SS**PPolyproline II helixtrans-64.2140.7178.3-64.9-178.6-177.3178.60109.5P105 K109P105-K107 PolarHBondContact O-N 3.06Å; P105-K107 VanDerWaalsContact O-N 3.16Å; K107-K109 PolarHBondContact O-N 2.66Å
108P88.8Confident92.5Very high121 Ų121123.3 Ų123.379%0.78661%0.61SS**PPolyproline II helixtrans-57.9137.2174.625.1-33.6000109.4
109K86.3Confident92.6Very high199 Ų199120.5 Ų120.587%0.86561%0.605SS**PPolyproline II helixtrans-63.4129-179.1-67.1179.6-178.4175.90108.9K107K107-K109 PolarHBondContact O-N 2.66Å
110P88.3Confident92.8Very high76 Ų76122 Ų12249%0.49461%0.613SS.*PPolyproline II helixtrans-63.7141.1176.626.2-33000109.8T112 A196P110-T112 PolarHBondContact O-N 2.62Å; P110-A196 HydrophobicContact CG-CB 3.51Å
111P90.8Very high92.9Very high77 Ų77122.9 Ų122.950%0.560%0.604SS.*PPolyproline II helixtrans-65.7135.8-178.227-34.3000110.6E115 Q116P111-E115 WeakPolarHBondContact CA-OE2 3.22Å; P111-E115 HydrophobicContact CB-CB 4.31Å; P111-Q116 HydrophobicContact CB-CG 4.09Å; P111-Q116 HydrophobicContact CG-CG 4.11Å; P111-Q116 PolarHBondContact O-NE2 3.17Å
112T92.8Very high92.8Very high47 Ų47117 Ų11729%0.28860%0.599SS.*PPolyproline II helixtrans-67.7160.8173.363.40000110.9P110 W114 E115 Q116P110-T112 PolarHBondContact O-N 2.62Å; T112-W114 PolarHBondContact O-N 3.21Å; T112-E115 PolarHBondContact N-OE2 3.03Å; T112-E115 PolarHBondContact O-N 2.71Å; T112-E115 VanDerWaalsContact OG1-CG 3.26Å; T112-E115 WeakPolarHBondContact OG1-CG 3.5Å; T112-E115 PolarHBondContact OG1-N 3.34Å; T112-E115 PolarHBondContact OG1-OE2 3.12Å; T112-Q116 WeakPolarHBondContact O-CG 3.37Å; T112-Q116 PolarHBondContact O-N 3.03Å
113K91.2Very high92.8Very high134 Ų134113 Ų11358%0.58358%0.583SS**Hα-helixtrans-57.5-35.1177.7-169.8175.2-177.4177.70112.6F117K113-F117 WeakPolarHBondContact O-CB 3.48Å; K113-F117 PolarHBondContact O-N 2.88Å
114W92.3Very high92.7Very high163 Ų163114.7 Ų114.762%0.61759%0.593SS**Hα-helixtrans-69.3-40.3175.8177.8-106000112T112 F117 A118T112-W114 PolarHBondContact O-N 3.21Å; W114-F117 AromaticContact CE3-CD1 3.82Å; W114-F117 HydrophobicContact CE3-CD1 3.82Å; W114-F117 HydrophobicContact CE3-CE1 4.46Å; W114-F117 HydrophobicContact CH2-CD1 4.07Å; W114-F117 HydrophobicContact CH2-CE1 4.05Å; W114-F117 AromaticContact CZ3-CD1 3.51Å; W114-F117 HydrophobicContact CZ3-CD1 3.51Å; W114-F117 AromaticContact CZ3-CE1 3.7Å; W114-F117 HydrophobicContact CZ3-CE1 3.7Å; W114-F117 PolarHBondContact O-N 3.45Å; W114-A118 VanDerWaalsContact O-CB 3.26Å; W114-A118 WeakPolarHBondContact O-CB 3.41Å; W114-A118 PolarHBondContact O-N 3.26Å
115E92.8Very high92.6Very high102 Ų102119.8 Ų119.848%0.47760%0.604SS.*Hα-helixtrans-67.3-38.1176.2-72.1161.516300112P111 T112 A118 K119P111-E115 WeakPolarHBondContact CA-OE2 3.22Å; P111-E115 HydrophobicContact CB-CB 4.31Å; T112-E115 PolarHBondContact N-OE2 3.03Å; T112-E115 PolarHBondContact O-N 2.71Å; T112-E115 VanDerWaalsContact OG1-CG 3.26Å; T112-E115 WeakPolarHBondContact OG1-CG 3.5Å; T112-E115 PolarHBondContact OG1-N 3.34Å; T112-E115 PolarHBondContact OG1-OE2 3.12Å; E115-A118 PolarHBondContact O-N 3.33Å; E115-K119 WeakPolarHBondContact O-CB 3.24Å; E115-K119 PolarHBondContact O-N 3.17Å
116Q93.3Very high92.6Very high100 Ų100123.6 Ų123.647%0.46761%0.611SS.*Hα-helixtrans-59.4-48.2171.3-67.5173.32.500110.7P111 T112 K119 L120P111-Q116 HydrophobicContact CB-CG 4.09Å; P111-Q116 HydrophobicContact CG-CG 4.11Å; P111-Q116 PolarHBondContact O-NE2 3.17Å; T112-Q116 WeakPolarHBondContact O-CG 3.37Å; T112-Q116 PolarHBondContact O-N 3.03Å; Q116-K119 PolarHBondContact O-N 3.15Å; Q116-L120 VanDerWaalsContact O-CG 3.29Å; Q116-L120 WeakPolarHBondContact O-CG 3.36Å; Q116-L120 PolarHBondContact O-N 3.11Å
117F95.4Very high92.5Very high89 Ų89128 Ų12839%0.3962%0.618SS.*Hα-helixtrans-62.6-45.1176.6175.2-97.7000112.5K113 W114 K119 L120 K121 I123K113-F117 WeakPolarHBondContact O-CB 3.48Å; K113-F117 PolarHBondContact O-N 2.88Å; W114-F117 AromaticContact CE3-CD1 3.82Å; W114-F117 HydrophobicContact CE3-CD1 3.82Å; W114-F117 HydrophobicContact CE3-CE1 4.46Å; W114-F117 HydrophobicContact CH2-CD1 4.07Å; W114-F117 HydrophobicContact CH2-CE1 4.05Å; W114-F117 AromaticContact CZ3-CD1 3.51Å; W114-F117 HydrophobicContact CZ3-CD1 3.51Å; W114-F117 AromaticContact CZ3-CE1 3.7Å; W114-F117 HydrophobicContact CZ3-CE1 3.7Å; W114-F117 PolarHBondContact O-N 3.45Å; F117-K119 VanDerWaalsContact C-N 3.31Å; F117-K119 PolarHBondContact O-N 3.48Å; F117-L120 PolarHBondContact O-N 3.47Å; F117-K121 HydrophobicContact CD2-CG 4.22Å; F117-K121 HydrophobicContact CE1-CG 4.08Å; F117-K121 HydrophobicContact CE2-CG 3.75Å; F117-K121 HydrophobicContact CZ-CG 3.67Å; F117-K121 WeakPolarHBondContact O-CB 3.41Å; F117-K121 PolarHBondContact O-N 3.3Å; F117-I123 HydrophobicContact CD1-CD1 4.4Å; F117-I123 HydrophobicContact CE1-CD1 3.92Å
118A95.5Very high92.5Very high13 Ų13126.9 Ų126.911%0.10761%0.613CS.*Hα-helixtrans-61.8-40.8178.500000111.2W114 E115 K121 G122 I123W114-A118 VanDerWaalsContact O-CB 3.26Å; W114-A118 WeakPolarHBondContact O-CB 3.41Å; W114-A118 PolarHBondContact O-N 3.26Å; E115-A118 PolarHBondContact O-N 3.33Å; A118-K121 CarbonylContact O-C 3.53Å; A118-K121 PolarHBondContact O-N 3.15Å; A118-G122 CarbonylContact O-C 3.57Å; A118-G122 PolarHBondContact O-N 3.4Å; A118-I123 HydrophobicContact CB-CB 4.12Å; A118-I123 PolarHBondContact O-N 3.48Å
119K94.4Very high92.7Very high184 Ų184125.8 Ų125.880%0.860%0.604SS**Hα-helixtrans-63.3-46.1174.2-171.2178.5-178.5-178.50111.6E115 Q116 F117 K121 G122E115-K119 WeakPolarHBondContact O-CB 3.24Å; E115-K119 PolarHBondContact O-N 3.17Å; Q116-K119 PolarHBondContact O-N 3.15Å; F117-K119 VanDerWaalsContact C-N 3.31Å; F117-K119 PolarHBondContact O-N 3.48Å; K119-K121 VanDerWaalsContact C-N 3.29Å; K119-K121 PolarHBondContact O-N 2.97Å; K119-G122 PolarHBondContact O-N 2.93Å
120L96.3Very high92.9Very high150 Ų150119.4 Ų119.479%0.78558%0.58SS**Hα-helixtrans-62.8-34.3177.8-72172.7000112.9Q116 F117Q116-L120 VanDerWaalsContact O-CG 3.29Å; Q116-L120 WeakPolarHBondContact O-CG 3.36Å; Q116-L120 PolarHBondContact O-N 3.11Å; F117-L120 PolarHBondContact O-N 3.47Å
121K96.8Very high93.1Very high142 Ų142119.9 Ų119.962%0.61758%0.578SS**THydrogen-bonded Turntrans-92.61.2178.9-68.3-62.2-171.8-179.30113.9F117 A118 K119 I123F117-K121 HydrophobicContact CD2-CG 4.22Å; F117-K121 HydrophobicContact CE1-CG 4.08Å; F117-K121 HydrophobicContact CE2-CG 3.75Å; F117-K121 HydrophobicContact CZ-CG 3.67Å; F117-K121 WeakPolarHBondContact O-CB 3.41Å; F117-K121 PolarHBondContact O-N 3.3Å; A118-K121 CarbonylContact O-C 3.53Å; A118-K121 PolarHBondContact O-N 3.15Å; K119-K121 VanDerWaalsContact C-N 3.29Å; K119-K121 PolarHBondContact O-N 2.97Å; K121-I123 HydrophobicContact CB-CD1 3.87Å; K121-I123 HydrophobicContact CB-CG1 3.82Å; K121-I123 PolarHBondContact O-N 3.36Å
122G94.1Very high93.2Very high57 Ų57117.8 Ų117.859%0.58856%0.564SS**THydrogen-bonded Turntrans62.722.9-176.300000114.3A118 K119 Q124A118-G122 CarbonylContact O-C 3.57Å; A118-G122 PolarHBondContact O-N 3.4Å; K119-G122 PolarHBondContact O-N 2.93Å; G122-Q124 PolarHBondContact O-N 3Å; G122-Q124 VanDerWaalsContact O-N 3.15Å
123I95.2Very high93.2Very high87 Ų87121.1 Ų121.145%0.44657%0.571SS.*  trans-74.6108.1-179.3-59.2170.5000108.7F117 A118 K121F117-I123 HydrophobicContact CD1-CD1 4.4Å; F117-I123 HydrophobicContact CE1-CD1 3.92Å; A118-I123 HydrophobicContact CB-CB 4.12Å; A118-I123 PolarHBondContact O-N 3.48Å; K121-I123 HydrophobicContact CB-CD1 3.87Å; K121-I123 HydrophobicContact CB-CG1 3.82Å; K121-I123 PolarHBondContact O-N 3.36Å
124Q92.8Very high93.2Very high165 Ų165115.2 Ų115.277%0.77155%0.546SS*.  trans-79.2135.9177-64.7-177.2-10.800111.8G122 K126G122-Q124 PolarHBondContact O-N 3Å; G122-Q124 VanDerWaalsContact O-N 3.15Å; Q124-K126 PolarHBondContact O-N 3.41Å
125K91.5Very high93.1Very high211 Ų211115.1 Ų115.192%0.91755%0.552SS**  trans-74.4106176.4-176.3-178.2178.4-177.70110
126K93.1Very high92.8Very high173 Ų173116.2 Ų116.275%0.75257%0.566SS**PPolyproline II helixtrans-87.3136.4172.7-61.9-175.8179.6-176.30111.2Q124 K128Q124-K126 PolarHBondContact O-N 3.41Å; K126-K128 PolarHBondContact O-N 3.26Å
127K92Very high92.4Very high213 Ų213112.8 Ų112.893%0.92656%0.555SS**PPolyproline II helixtrans-68.3123.4171.8-172.5178.1-179.9-178.30108.5
128K89.5Confident92.2Very high162 Ų162116.3 Ų116.370%0.70457%0.57SS**PPolyproline II helixtrans-95.9133.6173.4-64.3-174.1-179.4-176.20109.1K126K126-K128 PolarHBondContact O-N 3.26Å
129T92.1Very high92.1Very high97 Ų97120.8 Ų120.860%0.59559%0.589SS**PPolyproline II helixtrans-69.2150.617353.20000110.9L131 R143T129-L131 PolarHBondContact OG1-O 3.06Å; T129-L131 VanDerWaalsContact OG1-O 3.14Å; T129-R143 PolarHBondContact O-NE 2.92Å; T129-R143 VanDerWaalsContact O-NE 3.16Å; T129-R143 PolarHBondContact O-NH2 3.08Å
130N90.6Very high92Very high65 Ų65119.7 Ų119.735%0.34858%0.58SS.*SBendtrans-75.5-34.9176.9-166.610.5000111.4R142 R143N130-R142 CarbonylContact O-C 3.53Å; N130-R142 WeakPolarHBondContact O-CA 3.21Å; N130-R143 WeakPolarHBondContact O-CB 3.33Å; N130-R143 PolarHBondContact O-N 3.01Å
131L92.8Very high91.8Very high86 Ų86115.6 Ų115.645%0.4555%0.554SS.*EExtended strand (participates in β ladder)trans-87.7136.7177.8-7474.5000110.4T129 W140 R141T129-L131 PolarHBondContact OG1-O 3.06Å; T129-L131 VanDerWaalsContact OG1-O 3.14Å; L131-W140 HydrophobicContact CB-CB 4.41Å; L131-W140 HydrophobicContact CB-CE3 4.02Å; L131-W140 HydrophobicContact CD2-CB 3.87Å; L131-R141 CarbonylContact C-O 3.59Å; L131-R141 WeakPolarHBondContact CA-O 3.48Å
132V93.5Very high91.7Very high34 Ų34116 Ų11621%0.20655%0.552CS.*EExtended strand (participates in β ladder)trans-133.4131.7177.8-178.60000106.8D134 R141 R143 A149V132-D134 PolarHBondContact O-N 3.06Å; V132-R141 PolarHBondContact N-O 3.27Å; V132-R141 PolarHBondContact O-N 3.24Å; V132-R141 VanDerWaalsContact O-O 3.05Å; V132-R143 HydrophobicContact CG2-CB 3.92Å; V132-R143 HydrophobicContact CG2-CG 4.19Å; V132-R143 VanDerWaalsContact CG2-NH2 3.33Å; V132-A149 HydrophobicContact CB-CB 4.08Å; V132-A149 HydrophobicContact CG1-CB 4.29Å
133W92.3Very high91.6Very high116 Ų116118.6 Ų118.644%0.43954%0.543SS..EExtended strand (participates in β ladder)trans-63.3126174.6-175.3-106.2000109.9K138 W140W133-K138 HydrophobicContact CH2-CB 4.43Å; W133-K138 WeakPolarHBondContact CH2-O 3.48Å; W133-K138 HydrophobicContact CZ2-CB 4.09Å; W133-W140 HydrophobicContact CB-CD2 4.44Å; W133-W140 HydrophobicContact CB-CE3 4.18Å; W133-W140 HydrophobicContact CB-CH2 4.2Å; W133-W140 HydrophobicContact CB-CZ2 4.44Å; W133-W140 HydrophobicContact CB-CZ3 4.06Å; W133-W140 AromaticContact CE3-CD1 3.62Å; W133-W140 AromaticContact CE3-CD2 3.92Å; W133-W140 HydrophobicContact CE3-CD2 3.92Å; W133-W140 AromaticContact CE3-CE2 3.73Å; W133-W140 AromaticContact CE3-CG 3.86Å; W133-W140 HydrophobicContact CE3-CG 3.86Å; W133-W140 HydrophobicContact CE3-CZ2 4.38Å; W133-W140 AromaticContact CE3-NE1 3.52Å; W133-W140 AromaticContact CZ3-CD1 3.68Å; W133-W140 HydrophobicContact CZ3-CG 4.3Å; W133-W140 AromaticContact CZ3-NE1 3.72Å; W133-W140 VanDerWaalsContact N-CE3 3.32Å
134D90.2Very high91.3Very high10 Ų10123.1 Ų123.15%0.05356%0.555CS.*EExtended strand (participates in β ladder)trans-100109174.5-171.2-7000108.5V132 T136 A137 K138 E139 R141 A149V132-D134 PolarHBondContact O-N 3.06Å; D134-T136 PolarHBondContact O-N 3.47Å; D134-T136 PolarHBondContact OD1-N 3.39Å; D134-T136 PolarHBondContact OD1-OG1 2.75Å; D134-A137 HydrophobicContact CB-CB 4.33Å; D134-A137 PolarHBondContact O-N 3.24Å; D134-K138 WeakPolarHBondContact O-CA 3.33Å; D134-K138 PolarHBondContact O-N 3.39Å; D134-E139 PolarHBondContact N-O 2.99Å; D134-E139 PolarHBondContact O-N 3.32Å; D134-R141 HydrophobicContact CB-CB 4.37Å; D134-R141 HydrophobicContact CB-CG 4.34Å; D134-R141 WeakPolarHBondContact OD2-CD 3.34Å; D134-R141 IonicContact OD2-CZ 3.96Å; D134-R141 IonicContact OD2-NE 3.45Å; D134-R141 IonicContact OD2-NH1 3.56Å; D134-R141 PolarHBondContact OD2-NH1 3.3Å; D134-R141 VanDerWaalsContact OD2-NH1 3.08Å; D134-A149 HydrophobicContact CB-CB 4.25Å
135E90.4Very high91.2Very high161 Ų161117.2 Ų117.275%0.75254%0.538SS*.THydrogen-bonded Turntrans-61.7-31.4-177.6-69.7169.5-171.900112.4
136T86.6Confident91.1Very high125 Ų125116.3 Ų116.377%0.76753%0.531SS*.THydrogen-bonded Turntrans-72.1-41.4-178.462.60000112.2D134D134-T136 PolarHBondContact O-N 3.47Å; D134-T136 PolarHBondContact OD1-N 3.39Å; D134-T136 PolarHBondContact OD1-OG1 2.75Å
137A84.9Confident90.8Very high29 Ų29113.3 Ų113.324%0.2452%0.518CS..THydrogen-bonded Turntrans-93.8-10.5-178.700000113.6D134 E139D134-A137 HydrophobicContact CB-CB 4.33Å; D134-A137 PolarHBondContact O-N 3.24Å; A137-E139 HydrophobicContact CB-CB 4.39Å; A137-E139 PolarHBondContact O-N 3.24Å
138K91.3Very high90.7Very high162 Ų162106 Ų10670%0.70448%0.484SS*.THydrogen-bonded Turntrans5140-173.1-57179.7-177.2179.10112.4W133 D134W133-K138 HydrophobicContact CH2-CB 4.43Å; W133-K138 WeakPolarHBondContact CH2-O 3.48Å; W133-K138 HydrophobicContact CZ2-CB 4.09Å; D134-K138 WeakPolarHBondContact O-CA 3.33Å; D134-K138 PolarHBondContact O-N 3.39Å
139E93.3Very high90.6Very high107 Ų10798.7 Ų98.750%0.545%0.454SS..EExtended strand (participates in β ladder)trans-137.4150.4-176.3-76.8175.6169.100111D134 A137 R141D134-E139 PolarHBondContact N-O 2.99Å; D134-E139 PolarHBondContact O-N 3.32Å; A137-E139 HydrophobicContact CB-CB 4.39Å; A137-E139 PolarHBondContact O-N 3.24Å; E139-R141 HydrophobicContact CB-CG 4.46Å; E139-R141 PolarHBondContact O-N 2.91Å; E139-R141 IonicContact OE2-CZ 3.97Å; E139-R141 IonicContact OE2-NE 2.84Å; E139-R141 IonicContact OE2-NH2 3.65Å; E139-R141 PolarHBondContact OE2-NH2 3.5Å
140W92.3Very high90.1Very high162 Ų162101.8 Ų101.861%0.61446%0.46SS*.EExtended strand (participates in β ladder)trans-74.9111.4168.6-72.498.8000110.6L131 W133L131-W140 HydrophobicContact CB-CB 4.41Å; L131-W140 HydrophobicContact CB-CE3 4.02Å; L131-W140 HydrophobicContact CD2-CB 3.87Å; W133-W140 HydrophobicContact CB-CD2 4.44Å; W133-W140 HydrophobicContact CB-CE3 4.18Å; W133-W140 HydrophobicContact CB-CH2 4.2Å; W133-W140 HydrophobicContact CB-CZ2 4.44Å; W133-W140 HydrophobicContact CB-CZ3 4.06Å; W133-W140 AromaticContact CE3-CD1 3.62Å; W133-W140 AromaticContact CE3-CD2 3.92Å; W133-W140 HydrophobicContact CE3-CD2 3.92Å; W133-W140 AromaticContact CE3-CE2 3.73Å; W133-W140 AromaticContact CE3-CG 3.86Å; W133-W140 HydrophobicContact CE3-CG 3.86Å; W133-W140 HydrophobicContact CE3-CZ2 4.38Å; W133-W140 AromaticContact CE3-NE1 3.52Å; W133-W140 AromaticContact CZ3-CD1 3.68Å; W133-W140 HydrophobicContact CZ3-CG 4.3Å; W133-W140 AromaticContact CZ3-NE1 3.72Å; W133-W140 VanDerWaalsContact N-CE3 3.32Å
141R93Very high89.8Confident63 Ų63100.3 Ų100.324%0.23845%0.452CS..EExtended strand (participates in β ladder)trans-114158.7180-73.6-177.8173.4175.5-1.5112L131 V132 D134 E139 K147 A149L131-R141 CarbonylContact C-O 3.59Å; L131-R141 WeakPolarHBondContact CA-O 3.48Å; V132-R141 PolarHBondContact N-O 3.27Å; V132-R141 PolarHBondContact O-N 3.24Å; V132-R141 VanDerWaalsContact O-O 3.05Å; D134-R141 HydrophobicContact CB-CB 4.37Å; D134-R141 HydrophobicContact CB-CG 4.34Å; D134-R141 WeakPolarHBondContact OD2-CD 3.34Å; D134-R141 IonicContact OD2-CZ 3.96Å; D134-R141 IonicContact OD2-NE 3.45Å; D134-R141 IonicContact OD2-NH1 3.56Å; D134-R141 PolarHBondContact OD2-NH1 3.3Å; D134-R141 VanDerWaalsContact OD2-NH1 3.08Å; E139-R141 HydrophobicContact CB-CG 4.46Å; E139-R141 PolarHBondContact O-N 2.91Å; E139-R141 IonicContact OE2-CZ 3.97Å; E139-R141 IonicContact OE2-NE 2.84Å; E139-R141 IonicContact OE2-NH2 3.65Å; E139-R141 PolarHBondContact OE2-NH2 3.5Å; R141-K147 WeakPolarHBondContact CD-O 3.46Å; R141-A149 HydrophobicContact CB-CB 4.07Å
142R93.9Very high89.3Confident152 Ų15299.3 Ų99.357%0.57445%0.447SS*.EExtended strand (participates in β ladder)trans-67.9146.4178.1-65.2-175.3174.5-165.5-0.2110.2N130 W144 R148 A149N130-R142 CarbonylContact O-C 3.53Å; N130-R142 WeakPolarHBondContact O-CA 3.21Å; R142-W144 WeakPolarHBondContact CB-O 3.44Å; R142-W144 PolarHBondContact O-N 3.39Å; R142-R148 CarbonylContact O-C 3.59Å; R142-R148 WeakPolarHBondContact O-CA 3.33Å; R142-R148 WeakPolarHBondContact O-CB 3.34Å; R142-A149 PolarHBondContact O-N 3.25Å
143R91.7Very high88.7Confident110 Ų110102.2 Ų102.242%0.41547%0.465SS..SBendtrans-67.4-27.6177.8-174.4-179.8-64.7-81.41.2112.5T129 N130 V132T129-R143 PolarHBondContact O-NE 2.92Å; T129-R143 VanDerWaalsContact O-NE 3.16Å; T129-R143 PolarHBondContact O-NH2 3.08Å; N130-R143 WeakPolarHBondContact O-CB 3.33Å; N130-R143 PolarHBondContact O-N 3.01Å; V132-R143 HydrophobicContact CG2-CB 3.92Å; V132-R143 HydrophobicContact CG2-CG 4.19Å; V132-R143 VanDerWaalsContact CG2-NH2 3.33Å
144W90.2Very high88.2Confident182 Ų182103.2 Ų103.269%0.68947%0.472SS*.SBendtrans-147.9161.4179.160.1-84.5000109.6R142R142-W144 WeakPolarHBondContact CB-O 3.44Å; R142-W144 PolarHBondContact O-N 3.39Å
145G90.3Very high87.9Confident41 Ų41105.9 Ų105.942%0.42349%0.487SS..SBendtrans96.4-155.4-178.100000114.1
146Y88.3Confident87.6Confident193 Ų193109 Ų10976%0.75749%0.491SS*.THydrogen-bonded Turntrans-67.4136.9-179.5-176.9-111.4000111.4R148Y146-R148 PolarHBondContact O-N 2.92Å
147K87.1Confident87.4Confident110 Ų110108 Ų10848%0.47848%0.481SS..THydrogen-bonded Turntrans47.145-176-66.3179.4178-176.60112.5R141R141-K147 WeakPolarHBondContact CD-O 3.46Å
148R90.6Very high87.4Confident58 Ų58108.6 Ų108.622%0.21948%0.48CS..  trans-66151.3179.167.6173.4-174.7-93.6-12.3111.6R142 Y146 D151R142-R148 CarbonylContact O-C 3.59Å; R142-R148 WeakPolarHBondContact O-CA 3.33Å; R142-R148 WeakPolarHBondContact O-CB 3.34Å; Y146-R148 PolarHBondContact O-N 2.92Å; R148-D151 HydrophobicContact CG-CB 4.24Å; R148-D151 IonicContact CZ-OD1 2.87Å; R148-D151 IonicContact NE-OD1 3.79Å; R148-D151 IonicContact NH1-OD1 3.28Å; R148-D151 IonicContact NH2-OD1 2.6Å; R148-D151 PolarHBondContact NH2-OD1 2.93Å
149A87.1Confident87Confident10 Ų10109.1 Ų109.18%0.08349%0.485CS..SBendtrans-60.3141.9167.600000109.7V132 D134 R141 R142V132-A149 HydrophobicContact CB-CB 4.08Å; V132-A149 HydrophobicContact CG1-CB 4.29Å; D134-A149 HydrophobicContact CB-CB 4.25Å; R141-A149 HydrophobicContact CB-CB 4.07Å; R142-A149 PolarHBondContact O-N 3.25Å
150K82.9Confident86.6Confident162 Ų162107.7 Ų107.770%0.70448%0.483SS*.SBendtrans54.566.4-177.5-55.8-173.2178.8-166.30112.1D152K150-D152 PolarHBondContact O-N 3.12Å
151D83.6Confident86.1Confident33 Ų33103.5 Ų103.518%0.17648%0.477CS..  trans-90.885.3-178.1-166.722.1000112.7R148 T153 K154R148-D151 HydrophobicContact CG-CB 4.24Å; R148-D151 IonicContact CZ-OD1 2.87Å; R148-D151 IonicContact NE-OD1 3.79Å; R148-D151 IonicContact NH1-OD1 3.28Å; R148-D151 IonicContact NH2-OD1 2.6Å; R148-D151 PolarHBondContact NH2-OD1 2.93Å; D151-T153 PolarHBondContact O-N 2.86Å; D151-T153 PolarHBondContact OD1-OG1 3.43Å; D151-T153 PolarHBondContact OD2-OG1 3.02Å; D151-K154 PolarHBondContact O-N 3.25Å; D151-K154 VanDerWaalsContact O-N 3.13Å; D151-K154 WeakPolarHBondContact OD2-CE 3.46Å
152D81.6Confident85.3Confident66 Ų66110.2 Ų110.235%0.35351%0.511SS..THydrogen-bonded Turntrans-62.32.2-178.4-30.8-35.7000116.3K150 D155 R174K150-D152 PolarHBondContact O-N 3.12Å; D152-D155 WeakPolarHBondContact CA-OD2 3.4Å; D152-R174 VanDerWaalsContact CB-CZ 3.4Å; D152-R174 IonicContact OD1-NH2 3.95Å; D152-R174 IonicContact OD2-CZ 2.75Å; D152-R174 IonicContact OD2-NE 2.66Å; D152-R174 IonicContact OD2-NH2 2.62Å; D152-R174 PolarHBondContact OD2-NH2 3.45Å
153T81.7Confident84.6Confident95 Ų95110 Ų11058%0.58353%0.527SS*.THydrogen-bonded Turntrans-91-11.6175.854.40000113.2D151D151-T153 PolarHBondContact O-N 2.86Å; D151-T153 PolarHBondContact OD1-OG1 3.43Å; D151-T153 PolarHBondContact OD2-OG1 3.02Å
154K81.9Confident83.8Confident136 Ų136106 Ų10659%0.59152%0.517SS*.SBendtrans-99.5-0.1179.4-63.5-176.4-177.6-1780113D151 W156D151-K154 PolarHBondContact O-N 3.25Å; D151-K154 VanDerWaalsContact O-N 3.13Å; D151-K154 WeakPolarHBondContact OD2-CE 3.46Å; K154-W156 PolarHBondContact O-N 3.31Å
155D84.1Confident83.2Confident67 Ų67101.7 Ų101.736%0.35851%0.507SS..  trans-62117.6175.2-58.4-15.6000108.2D152 F171D152-D155 WeakPolarHBondContact CA-OD2 3.4Å; D155-F171 WeakPolarHBondContact O-CE1 3.41Å
156W83Confident82.4Confident225 Ų225105.1 Ų105.185%0.85252%0.522SS*.SBendtrans-85-16.6-177.859.9-89000112.5K154K154-W156 PolarHBondContact O-N 3.31Å
157L83.2Confident82Confident106 Ų106103.1 Ų103.156%0.55553%0.525SS*.  trans-141.8138178.9-179.866.3000109.3
158I84Confident81.7Confident40 Ų40101.5 Ų101.521%0.20552%0.519CS..  trans-123.7123170.3-63.6176000106.8V160 Q170 F171I158-V160 PolarHBondContact O-N 3.47Å; I158-Q170 HydrophobicContact CB-CB 4.39Å; I158-Q170 HydrophobicContact CG2-CB 3.91Å; I158-Q170 HydrophobicContact CG2-CG 4.47Å; I158-F171 HydrophobicContact CB-CE2 4.5Å; I158-F171 HydrophobicContact CB-CZ 4.36Å; I158-F171 HydrophobicContact CD1-CD1 3.41Å; I158-F171 VanDerWaalsContact CD1-CD1 3.41Å; I158-F171 HydrophobicContact CD1-CD2 4.18Å; I158-F171 HydrophobicContact CD1-CE1 3.35Å; I158-F171 HydrophobicContact CD1-CE2 4.12Å; I158-F171 HydrophobicContact CD1-CG 3.84Å; I158-F171 HydrophobicContact CD1-CZ 3.74Å; I158-F171 HydrophobicContact CG1-CD1 4.27Å; I158-F171 HydrophobicContact CG1-CE1 3.71Å; I158-F171 HydrophobicContact CG1-CE2 4.21Å; I158-F171 HydrophobicContact CG1-CZ 3.67Å
159E84Confident81.5Confident173 Ų173103.1 Ų103.181%0.80853%0.532SS*.PPolyproline II helixtrans-65.3131.4174.3-66.6173.3-17500110P161E159-P161 WeakPolarHBondContact O-CD 3.32Å
160V83.7Confident81.4Confident78 Ų78104 Ų10447%0.47353%0.534SS..PPolyproline II helixtrans-84.7120.4175.9-178.60000107.8I158 A164 Q170I158-V160 PolarHBondContact O-N 3.47Å; V160-A164 HydrophobicContact CG1-CB 4.13Å; V160-Q170 HydrophobicContact CG2-CG 3.97Å
161P82.6Confident81.6Confident74 Ų74100.2 Ų100.248%0.48152%0.518SS..PPolyproline II helixtrans-61.1141.3175.4-20.331.7000110.9E159 T163 A164E159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-T163 PolarHBondContact O-N 3.09Å; P161-A164 HydrophobicContact CB-CB 4.48Å; P161-A164 WeakPolarHBondContact O-CB 3.42Å; P161-A164 PolarHBondContact O-N 2.87Å
162E75.5Confident81.8Confident204 Ų204100.2 Ų100.295%0.95352%0.523SS*.THydrogen-bonded Turntrans-57.5-22-178-65.9-179.4168.400113.9
163T78.9Confident82.1Confident148 Ų148101.3 Ų101.391%0.90852%0.524SS*.THydrogen-bonded Turntrans-87.7-6.5178.6-29.30000113.7P161P161-T163 PolarHBondContact O-N 3.09Å
164A75.7Confident82.4Confident24 Ų24102 Ų10220%0.19852%0.516CS..SBendtrans-92153.3-177.300000111.8V160 P161 P166V160-A164 HydrophobicContact CG1-CB 4.13Å; P161-A164 HydrophobicContact CB-CB 4.48Å; P161-A164 WeakPolarHBondContact O-CB 3.42Å; P161-A164 PolarHBondContact O-N 2.87Å; A164-P166 WeakPolarHBondContact O-CD 3.29Å
165D77Confident82.8Confident93 Ų9399.6 Ų99.650%0.49751%0.509SS..  trans-61.3122.3173.6-176-11000109.8N167 E168D165-N167 PolarHBondContact O-N 3.07Å; D165-N167 VanDerWaalsContact O-N 3.08Å; D165-N167 PolarHBondContact OD1-N 3.2Å; D165-E168 HydrophobicContact CB-CB 4.39Å; D165-E168 PolarHBondContact O-N 2.72Å; D165-E168 VanDerWaalsContact O-N 3.1Å
166P73.7Confident83.2Confident113 Ų113102.6 Ų102.673%0.73452%0.519SS*.THydrogen-bonded Turntrans-57.3-21.8179.4-26.635.5000114.5A164A164-P166 WeakPolarHBondContact O-CD 3.29Å
167N80Confident83.6Confident151 Ų15193.7 Ų93.781%0.80749%0.494SS*.THydrogen-bonded Turntrans-91.7-0.5-179-66.7-45000114.1D165D165-N167 PolarHBondContact O-N 3.07Å; D165-N167 VanDerWaalsContact O-N 3.08Å; D165-N167 PolarHBondContact OD1-N 3.2Å
168E80.9Confident84Confident75 Ų7593.3 Ų93.335%0.3549%0.488SS..SBendtrans-85.7125.6-178.5-166.9-178.4-170.300112.5D165 Q170 K173D165-E168 HydrophobicContact CB-CB 4.39Å; D165-E168 PolarHBondContact O-N 2.72Å; D165-E168 VanDerWaalsContact O-N 3.1Å; E168-Q170 PolarHBondContact O-N 3.13Å; E168-Q170 VanDerWaalsContact O-N 3.1Å; E168-Q170 PolarHBondContact O-NE2 2.82Å; E168-K173 WeakPolarHBondContact OE1-CD 3.35Å; E168-K173 IonicContact OE1-NZ 3.72Å; E168-K173 IonicContact OE2-NZ 2.91Å; E168-K173 PolarHBondContact OE2-NZ 2.95Å
169D85.6Confident84.4Confident93 Ų9398.7 Ų98.750%0.49751%0.51SS..  trans-69.5105172.3177.51000111.4F171 A172 K173D169-F171 VanDerWaalsContact C-N 3.29Å; D169-F171 PolarHBondContact O-N 3.25Å; D169-F171 WeakPolarHBondContact OD1-CA 3.4Å; D169-F171 WeakPolarHBondContact OD1-CB 3.49Å; D169-F171 PolarHBondContact OD1-N 2.66Å; D169-A172 HydrophobicContact CB-CB 3.98Å; D169-A172 PolarHBondContact O-N 3.1Å; D169-A172 PolarHBondContact OD1-N 3.36Å; D169-A172 WeakPolarHBondContact OD2-CB 3.41Å; D169-K173 PolarHBondContact O-N 3.34Å
170Q85.6Confident85Confident27 Ų2796.7 Ų96.713%0.12650%0.5CS..Hα-helixtrans-64-30-179.8-59.5-55.5-28.400113.3I158 V160 E168 K173 R174I158-Q170 HydrophobicContact CB-CB 4.39Å; I158-Q170 HydrophobicContact CG2-CB 3.91Å; I158-Q170 HydrophobicContact CG2-CG 4.47Å; V160-Q170 HydrophobicContact CG2-CG 3.97Å; E168-Q170 PolarHBondContact O-N 3.13Å; E168-Q170 VanDerWaalsContact O-N 3.1Å; E168-Q170 PolarHBondContact O-NE2 2.82Å; Q170-K173 PolarHBondContact O-N 2.62Å; Q170-R174 WeakPolarHBondContact O-CB 3.43Å; Q170-R174 PolarHBondContact O-N 3.18Å
171F86.9Confident85.6Confident84 Ų84101.1 Ų101.137%0.36851%0.508SS..Hα-helixtrans-69.3-43.4175.6-67.2-86.4000110.9D155 I158 D169 R174 N175D155-F171 WeakPolarHBondContact O-CE1 3.41Å; I158-F171 HydrophobicContact CB-CE2 4.5Å; I158-F171 HydrophobicContact CB-CZ 4.36Å; I158-F171 HydrophobicContact CD1-CD1 3.41Å; I158-F171 VanDerWaalsContact CD1-CD1 3.41Å; I158-F171 HydrophobicContact CD1-CD2 4.18Å; I158-F171 HydrophobicContact CD1-CE1 3.35Å; I158-F171 HydrophobicContact CD1-CE2 4.12Å; I158-F171 HydrophobicContact CD1-CG 3.84Å; I158-F171 HydrophobicContact CD1-CZ 3.74Å; I158-F171 HydrophobicContact CG1-CD1 4.27Å; I158-F171 HydrophobicContact CG1-CE1 3.71Å; I158-F171 HydrophobicContact CG1-CE2 4.21Å; I158-F171 HydrophobicContact CG1-CZ 3.67Å; D169-F171 VanDerWaalsContact C-N 3.29Å; D169-F171 PolarHBondContact O-N 3.25Å; D169-F171 WeakPolarHBondContact OD1-CA 3.4Å; D169-F171 WeakPolarHBondContact OD1-CB 3.49Å; D169-F171 PolarHBondContact OD1-N 2.66Å; F171-R174 PolarHBondContact O-N 3.24Å; F171-N175 WeakPolarHBondContact O-CB 3.42Å; F171-N175 PolarHBondContact O-N 3.5Å; F171-N175 PolarHBondContact O-ND2 2.89Å
172A88.1Confident86.1Confident33 Ų33102 Ų10227%0.27351%0.513SS..Hα-helixtrans-62.8-42.6175.200000111.6D169 N175 K176D169-A172 HydrophobicContact CB-CB 3.98Å; D169-A172 PolarHBondContact O-N 3.1Å; D169-A172 PolarHBondContact OD1-N 3.36Å; D169-A172 WeakPolarHBondContact OD2-CB 3.41Å; A172-N175 PolarHBondContact O-N 3.44Å; A172-K176 WeakPolarHBondContact O-CG 3.32Å; A172-K176 PolarHBondContact O-N 2.98Å
173K88.4Confident87Confident88 Ų8895.2 Ų95.238%0.38349%0.491SS..Hα-helixtrans-59.8-47.2175.7-168.9-179-163.1158.60111.9E168 D169 Q170 N175 K176 A177E168-K173 WeakPolarHBondContact OE1-CD 3.35Å; E168-K173 IonicContact OE1-NZ 3.72Å; E168-K173 IonicContact OE2-NZ 2.91Å; E168-K173 PolarHBondContact OE2-NZ 2.95Å; D169-K173 PolarHBondContact O-N 3.34Å; Q170-K173 PolarHBondContact O-N 2.62Å; K173-N175 VanDerWaalsContact C-N 3.33Å; K173-N175 PolarHBondContact O-N 2.91Å; K173-K176 PolarHBondContact O-N 3.4Å; K173-A177 WeakPolarHBondContact O-CB 3.5Å; K173-A177 PolarHBondContact O-N 2.92Å
174R87.8Confident87.8Confident110 Ų11095.1 Ų95.142%0.41548%0.478SS..Hα-helixtrans-58.6-44175.8-170.8-178.8-172.4114.311.7112D152 Q170 F171 A177 K178D152-R174 VanDerWaalsContact CB-CZ 3.4Å; D152-R174 IonicContact OD1-NH2 3.95Å; D152-R174 IonicContact OD2-CZ 2.75Å; D152-R174 IonicContact OD2-NE 2.66Å; D152-R174 IonicContact OD2-NH2 2.62Å; D152-R174 PolarHBondContact OD2-NH2 3.45Å; Q170-R174 WeakPolarHBondContact O-CB 3.43Å; Q170-R174 PolarHBondContact O-N 3.18Å; F171-R174 PolarHBondContact O-N 3.24Å; R174-A177 PolarHBondContact O-N 2.96Å; R174-K178 WeakPolarHBondContact O-CB 3.45Å; R174-K178 PolarHBondContact O-N 2.79Å
175N89.6Confident88.7Confident85 Ų8599.4 Ų99.446%0.45550%0.498SS..Hα-helixtrans-65.4-41.9177.9-76.6-33.5000112.5F171 A172 K173 K178 K179F171-N175 WeakPolarHBondContact O-CB 3.42Å; F171-N175 PolarHBondContact O-N 3.5Å; F171-N175 PolarHBondContact O-ND2 2.89Å; A172-N175 PolarHBondContact O-N 3.44Å; K173-N175 VanDerWaalsContact C-N 3.33Å; K173-N175 PolarHBondContact O-N 2.91Å; N175-K178 PolarHBondContact O-N 3.43Å; N175-K179 WeakPolarHBondContact O-CG 3.42Å; N175-K179 PolarHBondContact O-N 2.87Å
176K92.3Very high89.5Confident130 Ų13098.6 Ų98.657%0.56549%0.491SS*.Hα-helixtrans-61.2-50.3173.6-73173.5-176.9175.20110.9A172 K173 K178 K179 E180A172-K176 WeakPolarHBondContact O-CG 3.32Å; A172-K176 PolarHBondContact O-N 2.98Å; K173-K176 PolarHBondContact O-N 3.4Å; K176-K178 VanDerWaalsContact C-N 3.28Å; K176-K178 PolarHBondContact O-N 3.27Å; K176-K179 WeakPolarHBondContact O-CB 3.31Å; K176-K179 PolarHBondContact O-N 3.5Å; K176-E180 WeakPolarHBondContact O-CG 3.44Å; K176-E180 PolarHBondContact O-N 2.6Å
177A91.6Very high90.3Very high38 Ų3896.9 Ų96.931%0.31448%0.475SS..Hα-helixtrans-58.4-37.8178.100000112.8K173 R174 R181K173-A177 WeakPolarHBondContact O-CB 3.5Å; K173-A177 PolarHBondContact O-N 2.92Å; R174-A177 PolarHBondContact O-N 2.96Å; A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 3.25Å
178K91Very high90.8Very high98 Ų9892.6 Ų92.643%0.42645%0.452SS..Hα-helixtrans-64.5-47.7173.4-176.3178179.3178.50111.6R174 N175 K176 E180 R181 V182R174-K178 WeakPolarHBondContact O-CB 3.45Å; R174-K178 PolarHBondContact O-N 2.79Å; N175-K178 PolarHBondContact O-N 3.43Å; K176-K178 VanDerWaalsContact C-N 3.28Å; K176-K178 PolarHBondContact O-N 3.27Å; K178-E180 VanDerWaalsContact C-N 3.33Å; K178-E180 PolarHBondContact O-N 3.15Å; K178-R181 PolarHBondContact O-N 2.91Å; K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 3.4Å
179K94.3Very high91.3Very high154 Ų15495.7 Ų95.767%0.6746%0.461SS*.Hα-helixtrans-60-43.5177.5-73175.4-1791800111.3N175 K176 V182 A183N175-K179 WeakPolarHBondContact O-CG 3.42Å; N175-K179 PolarHBondContact O-N 2.87Å; K176-K179 WeakPolarHBondContact O-CB 3.31Å; K176-K179 PolarHBondContact O-N 3.5Å; K179-V182 PolarHBondContact O-N 2.82Å; K179-A183 WeakPolarHBondContact O-CB 3.44Å; K179-A183 PolarHBondContact O-N 3.39Å
180E95.9Very high91.5Very high130 Ų13096 Ų9661%0.60746%0.462SS*.Hα-helixtrans-61.9-43.1176.3-72.6169.7-166.300112.2K176 K178 V182 A183 K184K176-E180 WeakPolarHBondContact O-CG 3.44Å; K176-E180 PolarHBondContact O-N 2.6Å; K178-E180 VanDerWaalsContact C-N 3.33Å; K178-E180 PolarHBondContact O-N 3.15Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 2.87Å; E180-A183 PolarHBondContact O-N 2.81Å; E180-K184 VanDerWaalsContact O-CB 3.27Å; E180-K184 WeakPolarHBondContact O-CB 3.23Å; E180-K184 PolarHBondContact O-N 2.95Å
181R95.1Very high91.6Very high171 Ų17199.4 Ų99.465%0.64547%0.473SS*.Hα-helixtrans-62.2-41.9176-167.4-174.1-56122.93111.9A177 K178 N185A177-R181 WeakPolarHBondContact O-CB 3.32Å; A177-R181 PolarHBondContact O-N 3.25Å; K178-R181 PolarHBondContact O-N 2.91Å; R181-N185 PolarHBondContact O-N 3.41Å
182V95.1Very high91.7Very high94 Ų9497.2 Ų97.257%0.5747%0.466SS*.Hα-helixtrans-65.2-47.1176.4172.90000110.5K178 K179 E180 K184 N185 E186K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 3.4Å; K179-V182 PolarHBondContact O-N 2.82Å; E180-V182 VanDerWaalsContact C-N 3.34Å; E180-V182 PolarHBondContact O-N 2.87Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-K184 PolarHBondContact O-N 3.43Å; V182-N185 WeakPolarHBondContact O-CB 3.39Å; V182-N185 PolarHBondContact O-N 2.76Å; V182-N185 VanDerWaalsContact O-N 3.15Å; V182-E186 PolarHBondContact O-N 3.03Å
183A94.4Very high91.8Very high60 Ų6099 Ų9950%0.49647%0.47SS..Hα-helixtrans-60.4-42176.900000111.9K179 E180 N185 E186 L187K179-A183 WeakPolarHBondContact O-CB 3.44Å; K179-A183 PolarHBondContact O-N 3.39Å; E180-A183 PolarHBondContact O-N 2.81Å; A183-N185 VanDerWaalsContact C-N 3.32Å; A183-N185 PolarHBondContact O-N 3.3Å; A183-E186 PolarHBondContact O-N 3.27Å; A183-L187 VanDerWaalsContact O-CB 3.25Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 PolarHBondContact O-N 2.78Å
184K94.3Very high91.8Very high146 Ų14695.4 Ų95.464%0.63546%0.456SS*.Hα-helixtrans-63-37.9175.6-174.5174.8-177.5174.80112E180 V182 N188E180-K184 VanDerWaalsContact O-CB 3.27Å; E180-K184 WeakPolarHBondContact O-CB 3.23Å; E180-K184 PolarHBondContact O-N 2.95Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-K184 PolarHBondContact O-N 3.43Å; K184-N188 WeakPolarHBondContact O-CB 3.42Å; K184-N188 VanDerWaalsContact O-CG 3.22Å; K184-N188 PolarHBondContact O-N 2.86Å; K184-N188 PolarHBondContact O-ND2 3.48Å
185N94.8Very high91.6Very high115 Ų11595.5 Ų95.562%0.61546%0.457SS*.Hα-helixtrans-65.3-47.3175.4-170.220.5000111.5R181 V182 A183 L187 N188 R189R181-N185 PolarHBondContact O-N 3.41Å; V182-N185 WeakPolarHBondContact O-CB 3.39Å; V182-N185 PolarHBondContact O-N 2.76Å; V182-N185 VanDerWaalsContact O-N 3.15Å; A183-N185 VanDerWaalsContact C-N 3.32Å; A183-N185 PolarHBondContact O-N 3.3Å; N185-L187 VanDerWaalsContact C-N 3.34Å; N185-L187 PolarHBondContact O-N 3.01Å; N185-N188 PolarHBondContact O-N 2.91Å; N185-R189 PolarHBondContact O-N 3.34Å
186E93.8Very high91.4Very high75 Ų7593.7 Ų93.735%0.3545%0.453SS..Hα-helixtrans-64.7-40.4178.6-170.157.7-15500111.7V182 A183 N188 R189 L190V182-E186 PolarHBondContact O-N 3.03Å; A183-E186 PolarHBondContact O-N 3.27Å; E186-N188 VanDerWaalsContact C-N 3.34Å; E186-N188 PolarHBondContact O-N 3.41Å; E186-R189 WeakPolarHBondContact O-CB 3.45Å; E186-R189 PolarHBondContact O-N 2.84Å; E186-R189 VanDerWaalsContact O-N 3.16Å; E186-R189 IonicContact OE1-CZ 3.08Å; E186-R189 IonicContact OE1-NH1 3.85Å; E186-R189 PolarHBondContact OE1-NH1 3.19Å; E186-R189 WeakPolarHBondContact OE2-CD 3.27Å; E186-R189 IonicContact OE2-NH1 3.62Å; E186-R189 PolarHBondContact OE2-NH1 2.94Å; E186-L190 HydrophobicContact CG-CD1 4.46Å; E186-L190 WeakPolarHBondContact O-CG 3.4Å; E186-L190 PolarHBondContact O-N 3.33Å
187L91.3Very high91.1Very high78 Ų7894.1 Ų94.141%0.40846%0.457SS..Hα-helixtrans-58.6-46.4174-164.5170.7000110.9A183 N185 R189 L190 R191A183-L187 VanDerWaalsContact O-CB 3.25Å; A183-L187 WeakPolarHBondContact O-CB 3.48Å; A183-L187 PolarHBondContact O-N 2.78Å; N185-L187 VanDerWaalsContact C-N 3.34Å; N185-L187 PolarHBondContact O-N 3.01Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 3.23Å; L187-L190 PolarHBondContact O-N 2.88Å; L187-R191 HydrophobicContact CD2-CG 3.98Å; L187-R191 VanDerWaalsContact CD2-NH1 3.32Å; L187-R191 PolarHBondContact O-N 2.93Å
188N89.9Confident90.6Very high60 Ų60101.5 Ų101.532%0.32148%0.482SS..Hα-helixtrans-64.7-36.5176.7-73.7-26.4000112.7K184 N185 E186 R191 N192K184-N188 WeakPolarHBondContact O-CB 3.42Å; K184-N188 VanDerWaalsContact O-CG 3.22Å; K184-N188 PolarHBondContact O-N 2.86Å; K184-N188 PolarHBondContact O-ND2 3.48Å; N185-N188 PolarHBondContact O-N 2.91Å; E186-N188 VanDerWaalsContact C-N 3.34Å; E186-N188 PolarHBondContact O-N 3.41Å; N188-R191 PolarHBondContact O-N 2.93Å; N188-N192 VanDerWaalsContact O-CG 3.24Å; N188-N192 PolarHBondContact O-N 2.97Å; N188-N192 PolarHBondContact O-ND2 3.39Å
189R90.8Very high90.1Very high141 Ų141101.1 Ų101.153%0.53249%0.488SS..Hα-helixtrans-60.9-50.8172.8179.4-170.6171.7-151.21.8110.6N185 E186 L187 R191 N192 I193N185-R189 PolarHBondContact O-N 3.34Å; E186-R189 WeakPolarHBondContact O-CB 3.45Å; E186-R189 PolarHBondContact O-N 2.84Å; E186-R189 VanDerWaalsContact O-N 3.16Å; E186-R189 IonicContact OE1-CZ 3.08Å; E186-R189 IonicContact OE1-NH1 3.85Å; E186-R189 PolarHBondContact OE1-NH1 3.19Å; E186-R189 WeakPolarHBondContact OE2-CD 3.27Å; E186-R189 IonicContact OE2-NH1 3.62Å; E186-R189 PolarHBondContact OE2-NH1 2.94Å; L187-R189 VanDerWaalsContact C-N 3.33Å; L187-R189 PolarHBondContact O-N 3.23Å; R189-R191 VanDerWaalsContact C-N 3.34Å; R189-R191 PolarHBondContact O-N 3.46Å; R189-N192 PolarHBondContact O-N 2.57Å; R189-N192 VanDerWaalsContact O-N 3.12Å; R189-I193 HydrophobicContact CG-CD1 3.97Å; R189-I193 WeakPolarHBondContact O-CG1 2.92Å; R189-I193 PolarHBondContact O-N 3.44Å
190L90.4Very high88.9Confident100 Ų100102.5 Ų102.552%0.52449%0.494SS..Hα-helixtrans-60.5-41.4178.1-69.5174.5000112.1E186 L187 N192 I193 A194E186-L190 HydrophobicContact CG-CD1 4.46Å; E186-L190 WeakPolarHBondContact O-CG 3.4Å; E186-L190 PolarHBondContact O-N 3.33Å; L187-L190 PolarHBondContact O-N 2.88Å; L190-N192 PolarHBondContact O-N 3.15Å; L190-I193 PolarHBondContact O-N 3.35Å; L190-A194 WeakPolarHBondContact O-CB 3.46Å; L190-A194 PolarHBondContact O-N 2.85Å
191R87.8Confident87.4Confident97 Ų9798.7 Ų98.737%0.36648%0.48SS..Hα-helixtrans-61.5-40.7173.3-77.5-179.1-178149.1-2112.6L187 N188 R189 A194 R195L187-R191 HydrophobicContact CD2-CG 3.98Å; L187-R191 VanDerWaalsContact CD2-NH1 3.32Å; L187-R191 PolarHBondContact O-N 2.93Å; N188-R191 PolarHBondContact O-N 2.93Å; R189-R191 VanDerWaalsContact C-N 3.34Å; R189-R191 PolarHBondContact O-N 3.46Å; R191-A194 PolarHBondContact O-N 3.12Å; R191-R195 WeakPolarHBondContact O-CG 3.26Å; R191-R195 PolarHBondContact O-N 2.99Å
192N90.1Very high85.5Confident39 Ų3996.9 Ų96.921%0.20949%0.49CS..Hα-helixtrans-68.1-39.9177.8-70.8-24.3000111.6N188 R189 L190 R195 A196N188-N192 VanDerWaalsContact O-CG 3.24Å; N188-N192 PolarHBondContact O-N 2.97Å; N188-N192 PolarHBondContact O-ND2 3.39Å; R189-N192 PolarHBondContact O-N 2.57Å; R189-N192 VanDerWaalsContact O-N 3.12Å; L190-N192 PolarHBondContact O-N 3.15Å; N192-R195 PolarHBondContact O-N 3.46Å; N192-R195 PolarHBondContact OD1-NH1 3.13Å; N192-A196 WeakPolarHBondContact O-CB 3.26Å; N192-A196 PolarHBondContact O-N 3.41Å
193I89.2Confident83.8Confident71 Ų7196.4 Ų96.436%0.36450%0.504SS..Hα-helixtrans-61.9-48.8173.6-67.3169.2000109.9R189 L190 R195 A196 H197R189-I193 HydrophobicContact CG-CD1 3.97Å; R189-I193 WeakPolarHBondContact O-CG1 2.92Å; R189-I193 PolarHBondContact O-N 3.44Å; L190-I193 PolarHBondContact O-N 3.35Å; I193-R195 VanDerWaalsContact C-N 3.32Å; I193-R195 PolarHBondContact O-N 2.82Å; I193-A196 WeakPolarHBondContact O-CB 3.37Å; I193-A196 PolarHBondContact O-N 3.37Å; I193-A196 VanDerWaalsContact O-N 3.08Å; I193-H197 PolarHBondContact O-CD2 3Å; I193-H197 VanDerWaalsContact O-CD2 3.23Å; I193-H197 PolarHBondContact O-N 2.99Å
194A88.3Confident81.9Confident12 Ų1296.9 Ų96.910%0.09950%0.496CS..Hα-helixtrans-58.6-42.2177.900000112.4L190 R191 H197 K198 V199 T201L190-A194 WeakPolarHBondContact O-CB 3.46Å; L190-A194 PolarHBondContact O-N 2.85Å; R191-A194 PolarHBondContact O-N 3.12Å; A194-H197 CarbonylContact O-C 3.59Å; A194-H197 PolarHBondContact O-N 3.16Å; A194-K198 CarbonylContact O-C 3.5Å; A194-K198 WeakPolarHBondContact O-CA 3.5Å; A194-K198 PolarHBondContact O-N 3.44Å; A194-V199 PolarHBondContact O-N 3.43Å; A194-T201 HydrophobicContact CB-CG2 3.47Å; A194-T201 VanDerWaalsContact CB-CG2 3.47Å
195R83.8Confident80.2Confident112 Ų11292.5 Ų92.542%0.42349%0.492SS..Hα-helixtrans-63.1-41.5173.5-73.4-173.8-139127.18.9112.5R191 N192 I193 H197 K198R191-R195 WeakPolarHBondContact O-CG 3.26Å; R191-R195 PolarHBondContact O-N 2.99Å; N192-R195 PolarHBondContact O-N 3.46Å; N192-R195 PolarHBondContact OD1-NH1 3.13Å; I193-R195 VanDerWaalsContact C-N 3.32Å; I193-R195 PolarHBondContact O-N 2.82Å; R195-H197 VanDerWaalsContact C-N 3.34Å; R195-H197 PolarHBondContact O-N 2.83Å; R195-K198 PolarHBondContact O-N 3.01Å
196A86.2Confident78.5Confident46 Ų4689.7 Ų89.738%0.3848%0.477SS..Hα-helixtrans-62.2-41.9177.600000111.9P110 N192 I193 K198P110-A196 HydrophobicContact CG-CB 3.51Å; N192-A196 WeakPolarHBondContact O-CB 3.26Å; N192-A196 PolarHBondContact O-N 3.41Å; I193-A196 WeakPolarHBondContact O-CB 3.37Å; I193-A196 PolarHBondContact O-N 3.37Å; I193-A196 VanDerWaalsContact O-N 3.08Å; A196-K198 VanDerWaalsContact C-N 3.33Å
197H85.1Confident76.9Confident139 Ų13991.1 Ų91.164%0.64449%0.487SS*.THydrogen-bonded Turntrans-872.1178.1-68.7-80.5000113.9I193 A194 R195 V199I193-H197 PolarHBondContact O-CD2 3Å; I193-H197 VanDerWaalsContact O-CD2 3.23Å; I193-H197 PolarHBondContact O-N 2.99Å; A194-H197 CarbonylContact O-C 3.59Å; A194-H197 PolarHBondContact O-N 3.16Å; R195-H197 VanDerWaalsContact C-N 3.34Å; R195-H197 PolarHBondContact O-N 2.83Å; H197-V199 HydrophobicContact CB-CG2 3.77Å; H197-V199 PolarHBondContact O-N 3.03Å; H197-V199 VanDerWaalsContact O-N 3.12Å
198K81.8Confident75.3Confident193 Ų19393.4 Ų93.484%0.83951%0.506SS*.THydrogen-bonded Turntrans51.429.9-174.5-56.8179.5-178.9-178.70113.4A194 R195 A196A194-K198 CarbonylContact O-C 3.5Å; A194-K198 WeakPolarHBondContact O-CA 3.5Å; A194-K198 PolarHBondContact O-N 3.44Å; R195-K198 PolarHBondContact O-N 3.01Å; A196-K198 VanDerWaalsContact C-N 3.33Å
199V79.9Confident74.3Confident91 Ų9195.9 Ų95.955%0.55251%0.514SS*.  trans-80.2132.2177.21780000108.9A194 H197 T201A194-V199 PolarHBondContact O-N 3.43Å; H197-V199 HydrophobicContact CB-CG2 3.77Å; H197-V199 PolarHBondContact O-N 3.03Å; H197-V199 VanDerWaalsContact O-N 3.12Å; V199-T201 PolarHBondContact O-N 2.68Å
200K69.6Low73.2Confident183 Ų18394.6 Ų94.680%0.79653%0.533SS*.  trans-73110.2176.4-70.8173.7-179.4168.40109.5
201T63.3Low72.4Confident50 Ų5098.3 Ų98.331%0.30755%0.548SS..  trans-74.9129.8173.928.60000111.1A194 V199 E204A194-T201 HydrophobicContact CB-CG2 3.47Å; A194-T201 VanDerWaalsContact CB-CG2 3.47Å; V199-T201 PolarHBondContact O-N 2.68Å; T201-E204 WeakPolarHBondContact CB-OE2 3.35Å; T201-E204 PolarHBondContact OG1-OE2 3.05Å
202P56Low71.7Confident132 Ų13296.6 Ų96.686%0.85754%0.544SS*.THydrogen-bonded Turntrans-64.6135.8171.1-15.928.7000110.6
203G58.8Low71.3Confident84 Ų8497.5 Ų97.587%0.86655%0.554SS**THydrogen-bonded Turntrans85.62.3174.200000115.9G205G203-G205 VanDerWaalsContact C-N 3.29Å; G203-G205 PolarHBondContact O-N 2.66Å
204E55.6Low70.9Confident70 Ų70102.8 Ų102.833%0.32757%0.574SS.*  trans-72.395.4160.2-135.2124.4-171.100106.3T201T201-E204 WeakPolarHBondContact CB-OE2 3.35Å; T201-E204 PolarHBondContact OG1-OE2 3.05Å
205G58.8Low70.4Confident54 Ų54107.6 Ų107.656%0.55760%0.598SS**  trans-50.2157.7165.600000109.9G203 L207G203-G205 VanDerWaalsContact C-N 3.29Å; G203-G205 PolarHBondContact O-N 2.66Å; G205-L207 PolarHBondContact O-N 3.42Å
206L58.7Low70Confident57 Ų57104.3 Ų104.330%0.29859%0.587SS.*  trans-55.6112.5-177.6-72.3139.9000110.2E216 K219 A220L206-E216 WeakPolarHBondContact CD1-O 3.43Å; L206-E216 VanDerWaalsContact CD2-CA 3.48Å; L206-E216 HydrophobicContact CD2-CB 3.31Å; L206-E216 HydrophobicContact CD2-CG 3.67Å; L206-E216 WeakPolarHBondContact CD2-O 3.16Å; L206-K219 HydrophobicContact CD1-CB 4.42Å; L206-A220 HydrophobicContact CD1-CB 3.2Å
207L59.9Low69.7Low105 Ų105106.4 Ų106.455%0.5559%0.592SS.*  trans-65.9133.9171.8-60.8175.5000107.1G205 K209G205-L207 PolarHBondContact O-N 3.42Å; L207-K209 PolarHBondContact O-N 2.96Å
208P57.8Low69.4Low126 Ų126102.7 Ų102.782%0.81859%0.585SS**  trans-60.4111.3172.823.2-30000107.8
209K68.2Low69.2Low111 Ų11198.6 Ų98.648%0.48357%0.567SS.*  trans-113.1146.3172.5-70.8179.1-178.6171.10107L207 Q211 E216L207-K209 PolarHBondContact O-N 2.96Å; K209-Q211 PolarHBondContact O-N 3.37Å; K209-E216 IonicContact NZ-OE1 2.84Å; K209-E216 PolarHBondContact NZ-OE1 2.93Å
210A68.2Low69.2Low114 Ų11495.7 Ų95.794%0.94255%0.552SS**SBendtrans-57.9-31.5177.600000112.6
211Q72.6Confident69.8Low178 Ų17890 Ų9083%0.83253%0.533SS*.SBendtrans-129.8124.3167.5-66.2-156.3-24.800110.2K209K209-Q211 PolarHBondContact O-N 3.37Å
212Q74.8Confident70.6Confident62 Ų6290.2 Ų90.229%0.2954%0.536SS..  trans-95.4133.8173.8-66-159-12.300110.1E216 L217Q212-E216 HydrophobicContact CB-CB 4.28Å; Q212-L217 HydrophobicContact CB-CD2 4.04Å; Q212-L217 HydrophobicContact CB-CG 3.91Å
213S80.4Confident71.8Confident58 Ų5887.5 Ų87.541%0.40652%0.518SS..  trans-66.6156172.659.30000111.1D215 E216 L217S213-D215 PolarHBondContact O-N 3.3Å; S213-D215 VanDerWaalsContact O-N 3.16Å; S213-E216 PolarHBondContact N-OE2 2.98Å; S213-E216 WeakPolarHBondContact O-CA 3.34Å; S213-E216 WeakPolarHBondContact O-CB 3.47Å; S213-E216 PolarHBondContact O-N 2.83Å; S213-E216 WeakPolarHBondContact OG-CB 3.43Å; S213-E216 WeakPolarHBondContact OG-CG 3.37Å; S213-E216 PolarHBondContact OG-N 3.02Å; S213-E216 PolarHBondContact OG-OE2 3.14Å; S213-L217 PolarHBondContact O-N 3.19Å
214K81.5Confident73Confident181 Ų18186.3 Ų86.379%0.78750%0.5SS*.Hα-helixtrans-51.7-39.3176.5-176.7178.2-179.8175.40112.8L217 A218K214-L217 PolarHBondContact O-N 3.08Å; K214-A218 WeakPolarHBondContact O-CB 3.38Å; K214-A218 PolarHBondContact O-N 3.32Å
215D76.9Confident74.2Confident114 Ų11485 Ų8561%0.6149%0.492SS*.Hα-helixtrans-71.3-33.5178.7-70.1-14.3000112.7S213 K219S213-D215 PolarHBondContact O-N 3.3Å; S213-D215 VanDerWaalsContact O-N 3.16Å; D215-K219 VanDerWaalsContact O-CG 3.24Å; D215-K219 WeakPolarHBondContact O-CG 3.37Å; D215-K219 PolarHBondContact O-N 3.49Å; D215-K219 VanDerWaalsContact O-N 3.08Å
216E76.9Confident75.1Confident42 Ų4286.4 Ų86.420%0.19649%0.491CS..Hα-helixtrans-67.6-46.3173.9-80.9169163.300110.4L206 K209 Q212 S213 A218 K219 A220L206-E216 WeakPolarHBondContact CD1-O 3.43Å; L206-E216 VanDerWaalsContact CD2-CA 3.48Å; L206-E216 HydrophobicContact CD2-CB 3.31Å; L206-E216 HydrophobicContact CD2-CG 3.67Å; L206-E216 WeakPolarHBondContact CD2-O 3.16Å; K209-E216 IonicContact NZ-OE1 2.84Å; K209-E216 PolarHBondContact NZ-OE1 2.93Å; Q212-E216 HydrophobicContact CB-CB 4.28Å; S213-E216 PolarHBondContact N-OE2 2.98Å; S213-E216 WeakPolarHBondContact O-CA 3.34Å; S213-E216 WeakPolarHBondContact O-CB 3.47Å; S213-E216 PolarHBondContact O-N 2.83Å; S213-E216 WeakPolarHBondContact OG-CB 3.43Å; S213-E216 WeakPolarHBondContact OG-CG 3.37Å; S213-E216 PolarHBondContact OG-N 3.02Å; S213-E216 PolarHBondContact OG-OE2 3.14Å; E216-A218 PolarHBondContact O-N 3Å; E216-K219 WeakPolarHBondContact O-CB 3.18Å; E216-K219 PolarHBondContact O-N 3.16Å; E216-A220 PolarHBondContact O-N 3.41Å
217L78.6Confident76.3Confident91 Ų9188.1 Ų88.148%0.47651%0.508SS..Hα-helixtrans-60.5-43174.4-71169.6000112.1Q212 S213 K214 K219 A220 V221Q212-L217 HydrophobicContact CB-CD2 4.04Å; Q212-L217 HydrophobicContact CB-CG 3.91Å; S213-L217 PolarHBondContact O-N 3.19Å; K214-L217 PolarHBondContact O-N 3.08Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 PolarHBondContact O-N 2.9Å; L217-A220 WeakPolarHBondContact O-CA 3.36Å; L217-A220 WeakPolarHBondContact O-CB 3.43Å; L217-A220 PolarHBondContact O-N 3.45Å; L217-V221 WeakPolarHBondContact O-CG2 3.3Å; L217-V221 PolarHBondContact O-N 2.91Å
218A79.3Confident77.4Confident60 Ų6085.8 Ų85.850%0.49650%0.497SS..Hα-helixtrans-62-38.9176.400000112.2K214 E216 A220 S222K214-A218 WeakPolarHBondContact O-CB 3.38Å; K214-A218 PolarHBondContact O-N 3.32Å; E216-A218 PolarHBondContact O-N 3Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-S222 PolarHBondContact O-N 3.42Å
219K77.8Confident78.7Confident108 Ų10885.1 Ų85.147%0.4750%0.503SS..Hα-helixtrans-66.3-37172.6-72169.7-171.3176.20111.4L206 D215 E216 L217 S222 V223L206-K219 HydrophobicContact CD1-CB 4.42Å; D215-K219 VanDerWaalsContact O-CG 3.24Å; D215-K219 WeakPolarHBondContact O-CG 3.37Å; D215-K219 PolarHBondContact O-N 3.49Å; D215-K219 VanDerWaalsContact O-N 3.08Å; E216-K219 WeakPolarHBondContact O-CB 3.18Å; E216-K219 PolarHBondContact O-N 3.16Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 PolarHBondContact O-N 2.9Å; K219-S222 WeakPolarHBondContact CA-OG 3.27Å; K219-S222 PolarHBondContact O-N 2.91Å; K219-S222 PolarHBondContact O-OG 3.1Å; K219-V223 WeakPolarHBondContact O-CB 3.36Å; K219-V223 WeakPolarHBondContact O-CG2 3.35Å; K219-V223 PolarHBondContact O-N 2.94Å
220A80.4Confident79.4Confident29 Ų2981.3 Ų81.324%0.2449%0.49CS..Hα-helixtrans-60-51.3179.900000110.2L206 E216 L217 A218 S222 V223 A224L206-A220 HydrophobicContact CD1-CB 3.2Å; E216-A220 PolarHBondContact O-N 3.41Å; L217-A220 WeakPolarHBondContact O-CA 3.36Å; L217-A220 WeakPolarHBondContact O-CB 3.43Å; L217-A220 PolarHBondContact O-N 3.45Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A220-S222 VanDerWaalsContact C-N 3.32Å; A220-S222 PolarHBondContact O-N 3.32Å; A220-V223 PolarHBondContact O-N 2.86Å; A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 3Å
221V81.9Confident80.1Confident63 Ų6380.8 Ų80.838%0.38248%0.475SS..Hα-helixtrans-59.6-44.1176.7175.80000110.4L217 V223 K225 E241L217-V221 WeakPolarHBondContact O-CG2 3.3Å; L217-V221 PolarHBondContact O-N 2.91Å; V221-V223 PolarHBondContact O-N 3.43Å; V221-K225 HydrophobicContact CG1-CD 4.22Å; V221-K225 WeakPolarHBondContact O-CB 3.25Å; V221-K225 VanDerWaalsContact O-CG 3.32Å; V221-K225 WeakPolarHBondContact O-CG 3.46Å; V221-K225 PolarHBondContact O-N 3.19Å; V221-E241 WeakPolarHBondContact CG1-OE1 3.36Å
222S79.6Confident80.5Confident55 Ų5572.8 Ų72.839%0.38544%0.44SS..Hα-helixtrans-63.5-41.9178.173.20000113.1A218 K219 A220 T226A218-S222 PolarHBondContact O-N 3.42Å; K219-S222 WeakPolarHBondContact CA-OG 3.27Å; K219-S222 PolarHBondContact O-N 2.91Å; K219-S222 PolarHBondContact O-OG 3.1Å; A220-S222 VanDerWaalsContact C-N 3.32Å; A220-S222 PolarHBondContact O-N 3.32Å; S222-T226 WeakPolarHBondContact O-CG2 3.31Å; S222-T226 PolarHBondContact O-N 3.25Å; S222-T226 VanDerWaalsContact O-N 3.07Å; S222-T226 PolarHBondContact O-OG1 3.05Å; S222-T226 VanDerWaalsContact O-OG1 3.09Å
223V81.1Confident80.7Confident76 Ų7679.7 Ų79.746%0.46146%0.464SS..Hα-helixtrans-67.8-49.2-179.8169.70000109.3K219 A220 V221 K225 T226 S227K219-V223 WeakPolarHBondContact O-CB 3.36Å; K219-V223 WeakPolarHBondContact O-CG2 3.35Å; K219-V223 PolarHBondContact O-N 2.94Å; A220-V223 PolarHBondContact O-N 2.86Å; V221-V223 PolarHBondContact O-N 3.43Å; V223-K225 VanDerWaalsContact C-N 3.3Å; V223-K225 PolarHBondContact O-N 3.25Å; V223-T226 WeakPolarHBondContact CA-OG1 3.42Å; V223-T226 PolarHBondContact O-N 3.39Å; V223-T226 VanDerWaalsContact O-N 3.13Å; V223-T226 PolarHBondContact O-OG1 3.21Å; V223-S227 WeakPolarHBondContact O-CB 3.18Å; V223-S227 PolarHBondContact O-N 3.46Å; V223-S227 PolarHBondContact O-OG 3.03Å
224A83.5Confident80.8Confident59 Ų5984.7 Ų84.749%0.48848%0.478SS..Hα-helixtrans-55.8-43.6178.200000112.3A220 S227 T228A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 3Å; A224-S227 PolarHBondContact O-N 2.97Å; A224-T228 PolarHBondContact O-N 3.15Å; A224-T228 PolarHBondContact O-OG1 2.87Å
225K80.4Confident80.8Confident41 Ų4178.8 Ų78.818%0.17845%0.454CS..Hα-helixtrans-64.3-44.7176.3-74.1-174.7176.8-162.30112.5V221 V223 S227 T228 V231 G232 E241V221-K225 HydrophobicContact CG1-CD 4.22Å; V221-K225 WeakPolarHBondContact O-CB 3.25Å; V221-K225 VanDerWaalsContact O-CG 3.32Å; V221-K225 WeakPolarHBondContact O-CG 3.46Å; V221-K225 PolarHBondContact O-N 3.19Å; V223-K225 VanDerWaalsContact C-N 3.3Å; V223-K225 PolarHBondContact O-N 3.25Å; K225-S227 VanDerWaalsContact C-N 3.28Å; K225-S227 PolarHBondContact O-N 3.21Å; K225-T228 PolarHBondContact O-N 3.44Å; K225-V231 CarbonylContact O-C 3.46Å; K225-V231 VanDerWaalsContact O-C 3.27Å; K225-G232 PolarHBondContact O-N 3.21Å; K225-E241 WeakPolarHBondContact CE-OE1 3.46Å; K225-E241 IonicContact NZ-OE1 2.57Å; K225-E241 PolarHBondContact NZ-OE1 3.29Å; K225-E241 IonicContact NZ-OE2 3.7Å; K225-E241 PolarHBondContact NZ-OE2 2.75Å
226T79.2Confident81Confident85 Ų8581 Ų8152%0.52147%0.465SS..Hα-helixtrans-68.8-27.7177.752.50000113.4S222 V223 T228 V231S222-T226 WeakPolarHBondContact O-CG2 3.31Å; S222-T226 PolarHBondContact O-N 3.25Å; S222-T226 VanDerWaalsContact O-N 3.07Å; S222-T226 PolarHBondContact O-OG1 3.05Å; S222-T226 VanDerWaalsContact O-OG1 3.09Å; V223-T226 WeakPolarHBondContact CA-OG1 3.42Å; V223-T226 PolarHBondContact O-N 3.39Å; V223-T226 VanDerWaalsContact O-N 3.13Å; V223-T226 PolarHBondContact O-OG1 3.21Å; T226-T228 VanDerWaalsContact C-N 3.27Å; T226-T228 PolarHBondContact O-N 3.01Å; T226-V231 HydrophobicContact CG2-CG1 4.38Å
227S82.7Confident81.2Confident93 Ų9386.2 Ų86.265%0.6548%0.483SS*.THydrogen-bonded Turntrans-79.4-6-180-65.70000113.6V223 A224 K225V223-S227 WeakPolarHBondContact O-CB 3.18Å; V223-S227 PolarHBondContact O-N 3.46Å; V223-S227 PolarHBondContact O-OG 3.03Å; A224-S227 PolarHBondContact O-N 2.97Å; K225-S227 VanDerWaalsContact C-N 3.28Å; K225-S227 PolarHBondContact O-N 3.21Å
228T84.6Confident81.3Confident55 Ų5588.1 Ų88.134%0.33749%0.493SS..SBendtrans-80148.7173-36.60000110.3A224 K225 T226 S230 V231 Q235A224-T228 PolarHBondContact O-N 3.15Å; A224-T228 PolarHBondContact O-OG1 2.87Å; K225-T228 PolarHBondContact O-N 3.44Å; T226-T228 VanDerWaalsContact C-N 3.27Å; T226-T228 PolarHBondContact O-N 3.01Å; T228-S230 PolarHBondContact O-N 2.99Å; T228-V231 PolarHBondContact O-N 3.28Å; T228-Q235 PolarHBondContact OG1-NE2 3.33Å
229A83.9Confident81.3Confident112 Ų11291.8 Ų91.893%0.92651%0.512SS*.THydrogen-bonded Turntrans-54.3-27.4-178.500000113.9
230S84.2Confident81.5Confident32 Ų3296.3 Ų96.322%0.22453%0.531CS..THydrogen-bonded Turntrans-94.37.317759.40000114.8T228 G232 R233 Q235T228-S230 PolarHBondContact O-N 2.99Å; S230-G232 PolarHBondContact O-N 2.9Å; S230-G232 VanDerWaalsContact O-N 3.16Å; S230-R233 WeakPolarHBondContact O-CB 3.31Å; S230-R233 PolarHBondContact O-N 3.37Å; S230-Q235 PolarHBondContact OG-NE2 2.92Å; S230-Q235 PolarHBondContact OG-OE1 3.34Å; S230-Q235 VanDerWaalsContact OG-OE1 3.1Å
231V81.2Confident81.2Confident103 Ų10397.6 Ų97.662%0.62453%0.533SS*.THydrogen-bonded Turntrans51.238.4-179.2-161.60000112.2K225 T226 T228 R233K225-V231 CarbonylContact O-C 3.46Å; K225-V231 VanDerWaalsContact O-C 3.27Å; T226-V231 HydrophobicContact CG2-CG1 4.38Å; T228-V231 PolarHBondContact O-N 3.28Å; V231-R233 VanDerWaalsContact C-N 3.33Å; V231-R233 PolarHBondContact O-N 2.91Å
232G80.9Confident80.8Confident10 Ų10103 Ų10310%0.10355%0.551CS.*THydrogen-bonded Turntrans78.911.5177.900000114.8K225 S230K225-G232 PolarHBondContact O-N 3.21Å; S230-G232 PolarHBondContact O-N 2.9Å; S230-G232 VanDerWaalsContact O-N 3.16Å
233R80Confident80.4Confident207 Ų207104.5 Ų104.578%0.78156%0.559SS**THydrogen-bonded Turntrans-74.6-32.2-177.8-171.7175.9-178-175.5-1.2113.6S230 V231S230-R233 WeakPolarHBondContact O-CB 3.31Å; S230-R233 PolarHBondContact O-N 3.37Å; V231-R233 VanDerWaalsContact C-N 3.33Å; V231-R233 PolarHBondContact O-N 2.91Å
234F81.7Confident79.7Confident162 Ų162105.1 Ų105.171%0.71157%0.565SS**THydrogen-bonded Turntrans-108.818.2-177.3-59-65.7000112.1
235Q82.3Confident78.7Confident57 Ų57111.5 Ų111.527%0.26658%0.582SS.*SBendtrans-104.4124.5-179.3-76.572.99.900108.7T228 S230T228-Q235 PolarHBondContact OG1-NE2 3.33Å; S230-Q235 PolarHBondContact OG-NE2 2.92Å; S230-Q235 PolarHBondContact OG-OE1 3.34Å; S230-Q235 VanDerWaalsContact OG-OE1 3.1Å
236D81.8Confident77.5Confident160 Ų160116.9 Ų116.986%0.85661%0.612SS**  trans-59.4143.9176-65.3-27.7000111
237R79.9Confident76.6Confident153 Ų153117.2 Ų117.258%0.57762%0.618SS**  trans-105.5137.1-179.1-62-177.5-176.11762.5109.2
238L81Confident75.5Confident131 Ų131115.6 Ų115.669%0.68662%0.616SS**  trans-65.4146.9171.2-77.4134000109.8K240 E241L238-K240 PolarHBondContact O-N 3Å; L238-E241 HydrophobicContact CB-CB 4.18Å; L238-E241 PolarHBondContact N-OE2 3.31Å; L238-E241 WeakPolarHBondContact O-CB 3.34Å; L238-E241 PolarHBondContact O-N 2.96Å
239P80.3Confident74.7Confident136 Ų136123.4 Ų123.488%0.88365%0.645SS**THydrogen-bonded Turntrans-55.9-24.6-172.7-28.234.2000115.8
240K81Confident73.8Confident203 Ų203126.3 Ų126.388%0.88364%0.637SS**THydrogen-bonded Turntrans-114.515.1-180-63.7-178.2-179.3176.20113.2L238L238-K240 PolarHBondContact O-N 3Å
241E74.4Confident73.1Confident57 Ų57135.2 Ų135.227%0.26667%0.666SS.*PPolyproline II helixtrans-76.1128.3-179.7-159.3-172.2152.900111.2V221 K225 L238V221-E241 WeakPolarHBondContact CG1-OE1 3.36Å; K225-E241 WeakPolarHBondContact CE-OE1 3.46Å; K225-E241 IonicContact NZ-OE1 2.57Å; K225-E241 PolarHBondContact NZ-OE1 3.29Å; K225-E241 IonicContact NZ-OE2 3.7Å; K225-E241 PolarHBondContact NZ-OE2 2.75Å; L238-E241 HydrophobicContact CB-CB 4.18Å; L238-E241 PolarHBondContact N-OE2 3.31Å; L238-E241 WeakPolarHBondContact O-CB 3.34Å; L238-E241 PolarHBondContact O-N 2.96Å
242K73.5Confident72.7Confident177 Ų177139.6 Ų139.677%0.7768%0.676SS**PPolyproline II helixtrans-70134.2178.1-66.1-176.8-179.6-178.90109.7
243P69.9Low72.5Confident86 Ų86147.3 Ų147.356%0.55871%0.707SS**PPolyproline II helixtrans-62.4147.3175.926.2-33.7000110.7K245P243-K245 PolarHBondContact O-N 3Å
244P66.6Low72.2Confident88 Ų88144 Ų14457%0.57170%0.701SS**PPolyproline II helixtrans-61.8122.5-179.624.9-33.2000110.2N246P244-N246 PolarHBondContact O-N 3.28Å; P244-N246 VanDerWaalsContact O-N 3.13Å
245K62.3Low72.1Confident193 Ų193140.9 Ų140.984%0.83970%0.697SS**THydrogen-bonded Turntrans-73.93.6-178.7-73.7-172.9173.4-1720114.6P243P243-K245 PolarHBondContact O-N 3Å
246N57.2Low71.7Confident154 Ų154146.9 Ų146.982%0.82473%0.73SS**THydrogen-bonded Turntrans-110.432.7-174.8-70.40.1000113.2P244 G248P244-N246 PolarHBondContact O-N 3.28Å; P244-N246 VanDerWaalsContact O-N 3.13Å; N246-G248 VanDerWaalsContact C-N 3.34Å; N246-G248 PolarHBondContact O-N 3.01Å
247S58.4Low71.5Confident93 Ų93146.2 Ų146.265%0.6573%0.725SS**SBendtrans-65.5104.9153.460.60000105.7
248G61.4Low71.4Confident58 Ų58140.6 Ų140.660%0.59871%0.714SS**  trans-45.6151.6177.500000111N246 K250N246-G248 VanDerWaalsContact C-N 3.34Å; N246-G248 PolarHBondContact O-N 3.01Å; G248-K250 VanDerWaalsContact C-N 3.3Å; G248-K250 PolarHBondContact O-N 3.46Å
249K66.4Low71.5Confident219 Ų219139 Ų13995%0.95271%0.707SS**  trans-50.693.8-179-88.5-178.7175.6178.70110R251K249-R251 PolarHBondContact O-N 3.28Å
250K64.6Low71.6Confident174 Ų174139.8 Ų139.876%0.75770%0.696SS**  trans-70.7126168-69.1-169.4176.3-173.30105.3G248 K252G248-K250 VanDerWaalsContact C-N 3.3Å; G248-K250 PolarHBondContact O-N 3.46Å; K250-K252 PolarHBondContact O-N 2.82Å
251R70.9Confident71.9Confident218 Ų218135.4 Ų135.482%0.82368%0.683SS**  trans-61.1105.7171.7-61.8-178.288.2157.52.9106.1K249 F253K249-R251 PolarHBondContact O-N 3.28Å; R251-F253 HydrophobicContact CB-CE2 4.38Å
252K72.6Confident72.5Confident196 Ų196134.5 Ų134.585%0.85268%0.683SS**  trans-85.7110.1169-65.9-166.6179-1720105.6K250K250-K252 PolarHBondContact O-N 2.82Å
253F75.7Confident73Confident172 Ų172130.5 Ų130.575%0.75467%0.667SS**PPolyproline II helixtrans-73.7138167.4-65.1-81.2000107.7R251R251-F253 HydrophobicContact CB-CE2 4.38Å
254E75.3Confident73.9Confident136 Ų136133 Ų13364%0.63667%0.669SS**PPolyproline II helixtrans-74145.7173.7-61.5-169.4157.500109.1K266E254-K266 WeakPolarHBondContact OE1-CE 3.42Å; E254-K266 IonicContact OE1-NZ 2.73Å; E254-K266 PolarHBondContact OE1-NZ 3.35Å; E254-K266 IonicContact OE2-NZ 2.71Å; E254-K266 PolarHBondContact OE2-NZ 3.25Å
255P79.4Confident75.1Confident98 Ų98135 Ų13564%0.63667%0.67SS**PPolyproline II helixtrans-61.4150175.326.9-33.8000110.6I257P255-I257 PolarHBondContact O-N 3.42Å
256L72.4Confident76.2Confident182 Ų182129.3 Ų129.395%0.95365%0.646SS**SBendtrans-64.4-26.8-176.9-158.873.7000112.9
257I77.6Confident77.7Confident146 Ų146127.3 Ų127.375%0.74963%0.632SS**SBendtrans-121.5109.3171.7-61.7168.9000106P255P255-I257 PolarHBondContact O-N 3.42Å
258G79.3Confident79.3Confident35 Ų35127 Ų12736%0.36162%0.622SS.*  trans-118.6-168.9-176.700000113F260G258-F260 PolarHBondContact O-N 2.84Å
259D83.2Confident80.6Confident98 Ų98130.1 Ų130.152%0.52462%0.621SS.*  trans-72.7113.1173.2175.411.2000110.5N261 S262 E263D259-N261 PolarHBondContact O-N 3.03Å; D259-N261 PolarHBondContact OD1-N 3.43Å; D259-N261 VanDerWaalsContact OD1-N 3.1Å; D259-S262 WeakPolarHBondContact O-CB 3.4Å; D259-S262 PolarHBondContact O-N 2.96Å; D259-S262 PolarHBondContact O-OG 3.01Å; D259-E263 PolarHBondContact O-N 2.93Å; D259-E263 VanDerWaalsContact O-N 3.15Å
260F82.7Confident81.5Confident152 Ų152124.6 Ų124.667%0.66760%0.601SS**Hα-helixtrans-56.6-30-178-62.7-70.1000113.5G258 K264G258-F260 PolarHBondContact O-N 2.84Å; F260-K264 WeakPolarHBondContact O-CB 3.5Å; F260-K264 PolarHBondContact O-N 3.23Å
261N87.3Confident82.5Confident111 Ų111121.8 Ų121.859%0.59459%0.594SS**Hα-helixtrans-69.1-41.5177-78-35.5000111.5D259 E263 K264 Q265D259-N261 PolarHBondContact O-N 3.03Å; D259-N261 PolarHBondContact OD1-N 3.43Å; D259-N261 VanDerWaalsContact OD1-N 3.1Å; N261-E263 VanDerWaalsContact C-N 3.33Å; N261-K264 PolarHBondContact O-N 3.23Å; N261-Q265 WeakPolarHBondContact O-CG 3.39Å; N261-Q265 PolarHBondContact O-N 3.14Å
262S85.8Confident83.2Confident39 Ų39118.8 Ų118.827%0.27359%0.587SS.*Hα-helixtrans-67-35.9177.279.20000112.1D259 K266D259-S262 WeakPolarHBondContact O-CB 3.4Å; D259-S262 PolarHBondContact O-N 2.96Å; D259-S262 PolarHBondContact O-OG 3.01Å; S262-K266 WeakPolarHBondContact O-CG 3.42Å; S262-K266 PolarHBondContact O-N 3.06Å; S262-K266 VanDerWaalsContact O-N 3.12Å
263E85.1Confident83.6Confident93 Ų93113.8 Ų113.844%0.43557%0.568SS.*Hα-helixtrans-67.4-48175.8-173.2176.2-172.200111.2D259 N261 Q265 K266 Q267D259-E263 PolarHBondContact O-N 2.93Å; D259-E263 VanDerWaalsContact O-N 3.15Å; N261-E263 VanDerWaalsContact C-N 3.33Å; E263-Q265 VanDerWaalsContact C-N 3.3Å; E263-Q265 PolarHBondContact O-N 3.45Å; E263-K266 PolarHBondContact O-N 3.43Å; E263-Q267 WeakPolarHBondContact O-CG 3.35Å; E263-Q267 PolarHBondContact O-N 3.48Å
264K88.8Confident83.8Confident139 Ų139113.1 Ų113.160%0.60457%0.57SS**Hα-helixtrans-56.9-42.5175.5-175.9178-179.51780112.1F260 N261 Q267 L268F260-K264 WeakPolarHBondContact O-CB 3.5Å; F260-K264 PolarHBondContact O-N 3.23Å; N261-K264 PolarHBondContact O-N 3.23Å; K264-Q267 PolarHBondContact O-N 2.86Å; K264-L268 HydrophobicContact CG-CD1 4.2Å; K264-L268 WeakPolarHBondContact O-CB 3.4Å; K264-L268 WeakPolarHBondContact O-CG 3.27Å; K264-L268 PolarHBondContact O-N 2.88Å
265Q90.3Very high84.1Confident128 Ų128109.6 Ų109.660%0.59857%0.57SS**Hα-helixtrans-62.6-45.8176.6-76176.4-0.200112.1N261 E263 Q267 L268 E269N261-Q265 WeakPolarHBondContact O-CG 3.39Å; N261-Q265 PolarHBondContact O-N 3.14Å; E263-Q265 VanDerWaalsContact C-N 3.3Å; E263-Q265 PolarHBondContact O-N 3.45Å; Q265-Q267 VanDerWaalsContact C-N 3.33Å; Q265-Q267 PolarHBondContact O-N 3.16Å; Q265-L268 PolarHBondContact O-N 2.74Å; Q265-E269 WeakPolarHBondContact O-CG 3.47Å; Q265-E269 PolarHBondContact O-N 2.97Å
266K86.1Confident84Confident75 Ų75107.4 Ų107.433%0.32656%0.557SS.*Hα-helixtrans-61.8-40.7176-72165.1-176.9158.80112.2E254 S262 E263 E269 L270E254-K266 WeakPolarHBondContact OE1-CE 3.42Å; E254-K266 IonicContact OE1-NZ 2.73Å; E254-K266 PolarHBondContact OE1-NZ 3.35Å; E254-K266 IonicContact OE2-NZ 2.71Å; E254-K266 PolarHBondContact OE2-NZ 3.25Å; S262-K266 WeakPolarHBondContact O-CG 3.42Å; S262-K266 PolarHBondContact O-N 3.06Å; S262-K266 VanDerWaalsContact O-N 3.12Å; E263-K266 PolarHBondContact O-N 3.43Å; K266-E269 PolarHBondContact O-N 3.04Å; K266-L270 WeakPolarHBondContact O-CB 3.46Å; K266-L270 WeakPolarHBondContact O-CG 3.38Å; K266-L270 PolarHBondContact O-N 3.04Å
267Q88.9Confident84.1Confident112 Ų112108.8 Ų108.852%0.52356%0.555SS.*Hα-helixtrans-66.4-39.5176.8-68.4-157.64.900112E263 K264 Q265 L270 L271E263-Q267 WeakPolarHBondContact O-CG 3.35Å; E263-Q267 PolarHBondContact O-N 3.48Å; K264-Q267 PolarHBondContact O-N 2.86Å; Q265-Q267 VanDerWaalsContact C-N 3.33Å; Q265-Q267 PolarHBondContact O-N 3.16Å; Q267-L270 PolarHBondContact O-N 2.84Å; Q267-L271 WeakPolarHBondContact O-CB 3.26Å; Q267-L271 PolarHBondContact O-N 3.33Å
268L92.3Very high83.7Confident86 Ų86106.9 Ų106.945%0.4555%0.55SS.*Hα-helixtrans-65.4-38.2173-75.2169.2000112.5K264 Q265 L271 K272K264-L268 HydrophobicContact CG-CD1 4.2Å; K264-L268 WeakPolarHBondContact O-CB 3.4Å; K264-L268 WeakPolarHBondContact O-CG 3.27Å; K264-L268 PolarHBondContact O-N 2.88Å; Q265-L268 PolarHBondContact O-N 2.74Å; L268-L271 PolarHBondContact O-N 3.46Å; L268-K272 WeakPolarHBondContact O-CG 3.46Å; L268-K272 PolarHBondContact O-N 3.38Å
269E88.6Confident83.3Confident123 Ų123110.2 Ų110.258%0.57557%0.566SS**Hα-helixtrans-64.9-42.9173.2-76.8-174.817500111.9Q265 K266 L271 K272 I273Q265-E269 WeakPolarHBondContact O-CG 3.47Å; Q265-E269 PolarHBondContact O-N 2.97Å; K266-E269 PolarHBondContact O-N 3.04Å; E269-L271 VanDerWaalsContact C-N 3.35Å; E269-L271 PolarHBondContact O-N 3.44Å; E269-K272 PolarHBondContact O-N 2.79Å; E269-I273 WeakPolarHBondContact O-CD1 3.33Å; E269-I273 VanDerWaalsContact O-CG1 3.23Å; E269-I273 WeakPolarHBondContact O-CG1 3.1Å; E269-I273 PolarHBondContact O-N 2.91Å
270L84.5Confident82.6Confident103 Ų103114.4 Ų114.454%0.53958%0.579SS.*Hα-helixtrans-60.2-44.2173.6-77.8168.4000111.6K266 Q267 K272 I273 M274K266-L270 WeakPolarHBondContact O-CB 3.46Å; K266-L270 WeakPolarHBondContact O-CG 3.38Å; K266-L270 PolarHBondContact O-N 3.04Å; Q267-L270 PolarHBondContact O-N 2.84Å; L270-K272 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 3.09Å; L270-I273 PolarHBondContact O-N 2.77Å; L270-M274 WeakPolarHBondContact O-CB 3.4Å; L270-M274 WeakPolarHBondContact O-CG 3.4Å; L270-M274 PolarHBondContact O-N 2.93Å
271L87Confident82.1Confident115 Ų115114 Ų11460%0.60258%0.583SS**Hα-helixtrans-60.4-40.8174.7-98150.5000112.4Q267 L268 E269 I273 M274 G275Q267-L271 WeakPolarHBondContact O-CB 3.26Å; Q267-L271 PolarHBondContact O-N 3.33Å; L268-L271 PolarHBondContact O-N 3.46Å; E269-L271 VanDerWaalsContact C-N 3.35Å; E269-L271 PolarHBondContact O-N 3.44Å; L271-I273 VanDerWaalsContact C-N 3.35Å; L271-M274 PolarHBondContact O-N 2.82Å; L271-G275 PolarHBondContact O-N 3.32Å
272K85.6Confident81.6Confident156 Ų156113 Ų11368%0.67858%0.578SS**Hα-helixtrans-64-40.6174.4-74.2173.4-176.4179.30111.8L268 E269 L270 G275 S276L268-K272 WeakPolarHBondContact O-CG 3.46Å; L268-K272 PolarHBondContact O-N 3.38Å; E269-K272 PolarHBondContact O-N 2.79Å; L270-K272 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 3.09Å; K272-G275 PolarHBondContact O-N 3.37Å; K272-S276 PolarHBondContact O-N 2.83Å; K272-S276 PolarHBondContact O-OG 3.32Å
273I80.5Confident81.3Confident90 Ų90117 Ų11746%0.46260%0.595SS.*Hα-helixtrans-68.4-39.1177.9-66.6162.4000111.2E269 L270 L271 S276E269-I273 WeakPolarHBondContact O-CD1 3.33Å; E269-I273 VanDerWaalsContact O-CG1 3.23Å; E269-I273 WeakPolarHBondContact O-CG1 3.1Å; E269-I273 PolarHBondContact O-N 2.91Å; L270-I273 PolarHBondContact O-N 2.77Å; L271-I273 VanDerWaalsContact C-N 3.35Å; I273-S276 PolarHBondContact O-OG 2.69Å
274M78.9Confident81Confident158 Ų158117 Ų11778%0.77860%0.602SS**Hα-helixtrans-73.8-34.5176.5-70.7-179.567.500112.3L270 L271L270-M274 WeakPolarHBondContact O-CB 3.4Å; L270-M274 WeakPolarHBondContact O-CG 3.4Å; L270-M274 PolarHBondContact O-N 2.93Å; L271-M274 PolarHBondContact O-N 2.82Å
275G81Confident80.8Confident62 Ų62117.2 Ų117.264%0.63960%0.602SS**Hα-helixtrans-74-26.6177.400000113.2L271 K272 K277L271-G275 PolarHBondContact O-N 3.32Å; K272-G275 PolarHBondContact O-N 3.37Å; G275-K277 PolarHBondContact O-N 2.77Å
276S78.3Confident80.4Confident52 Ų52113.7 Ų113.736%0.36460%0.595SS.*SBendtrans-72.1114.7168.757.90000110K272 I273 T278K272-S276 PolarHBondContact O-N 2.83Å; K272-S276 PolarHBondContact O-OG 3.32Å; I273-S276 PolarHBondContact O-OG 2.69Å; S276-T278 PolarHBondContact O-N 3.37Å
277K73.5Confident80.3Confident212 Ų212113.2 Ų113.292%0.92260%0.598SS**SBendtrans-66.44.1176.2-68-178.9178.9-179.10114.2G275G275-K277 PolarHBondContact O-N 2.77Å
278T70.6Confident80.1Confident105 Ų105112 Ų11264%0.64460%0.596SS**SBendtrans-100.7119.3-179.248.20000110.2S276 K280S276-T278 PolarHBondContact O-N 3.37Å; T278-K280 PolarHBondContact O-N 2.73Å
279P71.3Confident79.9Confident105 Ų105111.4 Ų111.468%0.68260%0.596SS**  trans-66.4130.3176.526.8-32.7000110L281P279-L281 PolarHBondContact O-N 3.4Å
280K68.6Low79.8Confident187 Ų187110.6 Ų110.681%0.81359%0.592SS**  trans-70.396.7175-169.4177.2-176.4175.40109.5T278 D282T278-K280 PolarHBondContact O-N 2.73Å; K280-D282 PolarHBondContact O-N 3.02Å
281L71.1Confident79.8Confident142 Ų142110 Ų11074%0.74359%0.587SS**  trans-75.3108.9174.6-66.6171.1000109.5P279 I283P279-L281 PolarHBondContact O-N 3.4Å; L281-I283 VanDerWaalsContact C-N 3.32Å; L281-I283 PolarHBondContact O-N 3.3Å
282D77.1Confident79.8Confident90 Ų90112.7 Ų112.748%0.48159%0.589SS.*  trans-78.887168.3-170.9-14.2000109.2K280 T284 K285 A286K280-D282 PolarHBondContact O-N 3.02Å; D282-T284 PolarHBondContact O-N 3.46Å; D282-T284 PolarHBondContact OD1-N 3.42Å; D282-T284 PolarHBondContact OD1-OG1 3.26Å; D282-K285 HydrophobicContact CB-CB 3.96Å; D282-K285 PolarHBondContact O-N 2.88Å; D282-K285 PolarHBondContact OD1-N 2.9Å; D282-A286 PolarHBondContact O-N 2.88Å
283I79.2Confident79.9Confident123 Ų123110.9 Ų110.963%0.63158%0.584SS**Hα-helixtrans-53.6-37.9-178.5-55.4169.2000110.4L281 A286 V287L281-I283 VanDerWaalsContact C-N 3.32Å; L281-I283 PolarHBondContact O-N 3.3Å; I283-A286 PolarHBondContact O-N 2.9Å; I283-V287 HydrophobicContact CG2-CG2 4.18Å; I283-V287 WeakPolarHBondContact O-CB 3.4Å; I283-V287 WeakPolarHBondContact O-CG2 3.34Å; I283-V287 PolarHBondContact O-N 3.45Å
284T79.8Confident80.1Confident95 Ų95111.1 Ų111.158%0.58358%0.583SS**Hα-helixtrans-69.2-37.4-178.969.30000112.2D282 N288D282-T284 PolarHBondContact O-N 3.46Å; D282-T284 PolarHBondContact OD1-N 3.42Å; D282-T284 PolarHBondContact OD1-OG1 3.26Å; T284-N288 VanDerWaalsContact O-CB 3.3Å; T284-N288 WeakPolarHBondContact O-CB 3.38Å; T284-N288 PolarHBondContact O-N 2.97Å; T284-N288 VanDerWaalsContact O-N 3.1Å; T284-N288 PolarHBondContact O-ND2 2.82Å
285K83.9Confident80.4Confident142 Ų142108.8 Ų108.862%0.61757%0.574SS**Hα-helixtrans-70.4-43.4175.9-168.1179.3179.4-172.30111D282 N288 T289D282-K285 HydrophobicContact CB-CB 3.96Å; D282-K285 PolarHBondContact O-N 2.88Å; D282-K285 PolarHBondContact OD1-N 2.9Å; K285-N288 PolarHBondContact O-N 2.93Å; K285-T289 PolarHBondContact O-N 2.8Å; K285-T289 PolarHBondContact O-OG1 3.45Å
286A81.1Confident80.7Confident54 Ų54114.3 Ų114.345%0.44658%0.575SS.*Hα-helixtrans-61.1-45.7178.200000112.4D282 I283 T289 Q290D282-A286 PolarHBondContact O-N 2.88Å; I283-A286 PolarHBondContact O-N 2.9Å; A286-T289 VanDerWaalsContact C-OG1 3.32Å; A286-T289 VanDerWaalsContact CA-OG1 3.31Å; A286-T289 WeakPolarHBondContact CA-OG1 3.37Å; A286-T289 PolarHBondContact O-N 3.27Å; A286-T289 PolarHBondContact O-OG1 3.28Å; A286-Q290 PolarHBondContact O-N 3.29Å
287V84.2Confident81.1Confident65 Ų65118.5 Ų118.539%0.39459%0.589SS.*Hα-helixtrans-66.5-39.2177.1172.40000111.2I283 Q290 M291I283-V287 HydrophobicContact CG2-CG2 4.18Å; I283-V287 WeakPolarHBondContact O-CB 3.4Å; I283-V287 WeakPolarHBondContact O-CG2 3.34Å; I283-V287 PolarHBondContact O-N 3.45Å; V287-Q290 PolarHBondContact O-N 3.24Å; V287-M291 HydrophobicContact CG1-CE 3.67Å; V287-M291 WeakPolarHBondContact O-CG 3.38Å; V287-M291 PolarHBondContact O-N 2.83Å
288N86Confident81.5Confident87 Ų87113.3 Ų113.347%0.46557%0.568SS.*Hα-helixtrans-69.1-32.7176.4-76.6-35.1000113.3T284 K285 M291 R292T284-N288 VanDerWaalsContact O-CB 3.3Å; T284-N288 WeakPolarHBondContact O-CB 3.38Å; T284-N288 PolarHBondContact O-N 2.97Å; T284-N288 VanDerWaalsContact O-N 3.1Å; T284-N288 PolarHBondContact O-ND2 2.82Å; K285-N288 PolarHBondContact O-N 2.93Å; N288-M291 WeakPolarHBondContact OD1-CE 3.36Å; N288-R292 WeakPolarHBondContact O-CG 3.18Å; N288-R292 PolarHBondContact O-N 2.76Å
289T86.9Confident82Confident73 Ų73110.7 Ų110.745%0.44856%0.557SS.*Hα-helixtrans-68.2-42.7172.337.30000111.2K285 A286 R292 E293K285-T289 PolarHBondContact O-N 2.8Å; K285-T289 PolarHBondContact O-OG1 3.45Å; A286-T289 VanDerWaalsContact C-OG1 3.32Å; A286-T289 VanDerWaalsContact CA-OG1 3.31Å; A286-T289 WeakPolarHBondContact CA-OG1 3.37Å; A286-T289 PolarHBondContact O-N 3.27Å; A286-T289 PolarHBondContact O-OG1 3.28Å; T289-R292 PolarHBondContact O-N 3.37Å; T289-E293 PolarHBondContact O-N 3.27Å
290Q86.9Confident82.5Confident107 Ų107108 Ų10850%0.554%0.543SS..Hα-helixtrans-63.3-47.9177.3-171.3-176.1-12.900111.7A286 V287 R292 E293 E294A286-Q290 PolarHBondContact O-N 3.29Å; V287-Q290 PolarHBondContact O-N 3.24Å; Q290-R292 PolarHBondContact O-N 3.48Å; Q290-E293 PolarHBondContact O-N 3.27Å; Q290-E294 PolarHBondContact NE2-OE1 2.84Å; Q290-E294 WeakPolarHBondContact O-CG 3.23Å; Q290-E294 PolarHBondContact O-N 3.08Å
291M84.1Confident83.1Confident90 Ų90101.3 Ų101.344%0.44352%0.523SS..Hα-helixtrans-57.8-36.6175.7-77.9-165.6-87.500112.4V287 N288 D295V287-M291 HydrophobicContact CG1-CE 3.67Å; V287-M291 WeakPolarHBondContact O-CG 3.38Å; V287-M291 PolarHBondContact O-N 2.83Å; N288-M291 WeakPolarHBondContact OD1-CE 3.36Å; M291-D295 WeakPolarHBondContact O-CB 3.06Å; M291-D295 PolarHBondContact O-N 3.24Å
292R86.9Confident83.3Confident171 Ų171103 Ų10365%0.64552%0.519SS*.Hα-helixtrans-72.4-33.3176.3-78.8-177.1-176.3-173.42.4113.3N288 T289 Q290 R296N288-R292 WeakPolarHBondContact O-CG 3.18Å; N288-R292 PolarHBondContact O-N 2.76Å; T289-R292 PolarHBondContact O-N 3.37Å; Q290-R292 PolarHBondContact O-N 3.48Å; R292-R296 VanDerWaalsContact O-CB 3.31Å; R292-R296 WeakPolarHBondContact O-CB 3.44Å; R292-R296 WeakPolarHBondContact O-CG 3.5Å; R292-R296 PolarHBondContact O-N 2.94Å
293E87.7Confident82.9Confident119 Ų119108.5 Ų108.556%0.55653%0.534SS*.Hα-helixtrans-68.1-46.9173.7-80.3176.2168.100110.3T289 Q290 D295 R296 E297T289-E293 PolarHBondContact O-N 3.27Å; Q290-E293 PolarHBondContact O-N 3.27Å; E293-D295 PolarHBondContact O-N 2.99Å; E293-R296 CarbonylContact O-C 3.44Å; E293-R296 WeakPolarHBondContact O-CB 3.35Å; E293-R296 PolarHBondContact O-N 2.9Å; E293-R296 VanDerWaalsContact O-N 3.09Å; E293-E297 WeakPolarHBondContact O-CB 3.49Å; E293-E297 WeakPolarHBondContact O-CG 3.44Å; E293-E297 PolarHBondContact O-N 3.36Å
294E85.4Confident82.4Confident95 Ų95112.7 Ų112.744%0.44454%0.542SS..Hα-helixtrans-57.6-46.7173.9-71.5173.5-174.400111.5Q290 R296 E297 E298Q290-E294 PolarHBondContact NE2-OE1 2.84Å; Q290-E294 WeakPolarHBondContact O-CG 3.23Å; Q290-E294 PolarHBondContact O-N 3.08Å; E294-R296 VanDerWaalsContact C-N 3.32Å; E294-R296 PolarHBondContact O-N 2.7Å; E294-E297 PolarHBondContact O-N 3.13Å; E294-E298 WeakPolarHBondContact O-CB 3.4Å; E294-E298 PolarHBondContact O-N 2.95Å
295D85.8Confident81.6Confident109 Ų109116.9 Ų116.958%0.58355%0.552SS**Hα-helixtrans-61.5-38.1175.3-83-19.3000112.5M291 E293 A299M291-D295 WeakPolarHBondContact O-CB 3.06Å; M291-D295 PolarHBondContact O-N 3.24Å; E293-D295 PolarHBondContact O-N 2.99Å; D295-A299 VanDerWaalsContact O-CB 3.26Å; D295-A299 WeakPolarHBondContact O-CB 3.46Å; D295-A299 PolarHBondContact O-N 2.88Å
296R85.8Confident80.2Confident177 Ų177113 Ų11367%0.66855%0.552SS**Hα-helixtrans-71-41.2177.8-81.3173.7-178.2-174.80.7111.6R292 E293 E294 A299 A300R292-R296 VanDerWaalsContact O-CB 3.31Å; R292-R296 WeakPolarHBondContact O-CB 3.44Å; R292-R296 WeakPolarHBondContact O-CG 3.5Å; R292-R296 PolarHBondContact O-N 2.94Å; E293-R296 CarbonylContact O-C 3.44Å; E293-R296 WeakPolarHBondContact O-CB 3.35Å; E293-R296 PolarHBondContact O-N 2.9Å; E293-R296 VanDerWaalsContact O-N 3.09Å; E294-R296 VanDerWaalsContact C-N 3.32Å; E294-R296 PolarHBondContact O-N 2.7Å; R296-A299 PolarHBondContact O-N 3.35Å; R296-A300 VanDerWaalsContact O-CB 3.27Å; R296-A300 WeakPolarHBondContact O-CB 3.35Å; R296-A300 PolarHBondContact O-N 3.1Å
297E86.7Confident78.8Confident141 Ų141114.5 Ų114.566%0.65956%0.564SS**Hα-helixtrans-65.8-42.8175.6-75.1-171.9168.800110.9E293 E294 A299 A300 A301E293-E297 WeakPolarHBondContact O-CB 3.49Å; E293-E297 WeakPolarHBondContact O-CG 3.44Å; E293-E297 PolarHBondContact O-N 3.36Å; E294-E297 PolarHBondContact O-N 3.13Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 3.5Å; E297-A300 PolarHBondContact O-N 3.21Å; E297-A301 VanDerWaalsContact O-CB 3.23Å; E297-A301 WeakPolarHBondContact O-CB 3.37Å; E297-A301 PolarHBondContact O-N 3.1Å
298E83.1Confident77.1Confident103 Ų103115 Ų11548%0.48158%0.583SS.*Hα-helixtrans-59.6-44.6171.5-84-155.8-171.600111.7E294 A301 R302E294-E298 WeakPolarHBondContact O-CB 3.4Å; E294-E298 PolarHBondContact O-N 2.95Å; E298-A301 PolarHBondContact O-N 3.47Å; E298-R302 WeakPolarHBondContact O-CB 3.49Å; E298-R302 WeakPolarHBondContact O-CG 3.4Å; E298-R302 PolarHBondContact O-N 3.23Å; E298-R302 IonicContact OE2-CZ 2.72Å; E298-R302 IonicContact OE2-NE 2.62Å; E298-R302 IonicContact OE2-NH2 2.66Å; E298-R302 PolarHBondContact OE2-NH2 3.43Å
299A80.5Confident75.4Confident50 Ų50113.7 Ų113.741%0.41359%0.589SS.*Hα-helixtrans-65.1-39.517700000112.2D295 R296 E297 R302 R303D295-A299 VanDerWaalsContact O-CB 3.26Å; D295-A299 WeakPolarHBondContact O-CB 3.46Å; D295-A299 PolarHBondContact O-N 2.88Å; R296-A299 PolarHBondContact O-N 3.35Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 3.5Å; A299-R302 PolarHBondContact O-N 3.25Å; A299-R303 WeakPolarHBondContact O-CG 3.36Å; A299-R303 PolarHBondContact O-N 2.97Å
300A82.1Confident73.2Confident48 Ų48119.9 Ų119.940%0.39761%0.61SS.*Hα-helixtrans-68.8-40.2176.300000111.8R296 E297 R303 R304R296-A300 VanDerWaalsContact O-CB 3.27Å; R296-A300 WeakPolarHBondContact O-CB 3.35Å; R296-A300 PolarHBondContact O-N 3.1Å; E297-A300 PolarHBondContact O-N 3.21Å; A300-R303 PolarHBondContact O-N 3.15Å; A300-R304 WeakPolarHBondContact O-CB 3.38Å; A300-R304 PolarHBondContact O-N 3.05Å
301A80.1Confident71.2Confident47 Ų47118.6 Ų118.639%0.38863%0.626SS.*Hα-helixtrans-64.7-39.917400000111.3E297 E298 R304 K305E297-A301 VanDerWaalsContact O-CB 3.23Å; E297-A301 WeakPolarHBondContact O-CB 3.37Å; E297-A301 PolarHBondContact O-N 3.1Å; E298-A301 PolarHBondContact O-N 3.47Å; A301-R304 PolarHBondContact O-N 3.08Å; A301-K305 WeakPolarHBondContact O-CB 3.47Å; A301-K305 WeakPolarHBondContact O-CG 3.34Å; A301-K305 PolarHBondContact O-N 3.01Å
302R75.8Confident69Low176 Ų176126 Ų12666%0.66465%0.649SS**Hα-helixtrans-64.2-39.6172.2-72.5173-166.5-166.310.4111.9E298 A299 G306E298-R302 WeakPolarHBondContact O-CB 3.49Å; E298-R302 WeakPolarHBondContact O-CG 3.4Å; E298-R302 PolarHBondContact O-N 3.23Å; E298-R302 IonicContact OE2-CZ 2.72Å; E298-R302 IonicContact OE2-NE 2.62Å; E298-R302 IonicContact OE2-NH2 2.66Å; E298-R302 PolarHBondContact OE2-NH2 3.43Å; A299-R302 PolarHBondContact O-N 3.25Å; R302-G306 PolarHBondContact O-N 3.45Å
303R69.6Low66.9Low207 Ų207128 Ų12878%0.78166%0.662SS**Hα-helixtrans-66.5-43.6174.1-79.6-178.4170.6-172-2.2112.6A299 A300 G306 A307A299-R303 WeakPolarHBondContact O-CG 3.36Å; A299-R303 PolarHBondContact O-N 2.97Å; A300-R303 PolarHBondContact O-N 3.15Å; R303-G306 PolarHBondContact O-N 3.49Å; R303-G306 VanDerWaalsContact O-N 3.15Å; R303-A307 PolarHBondContact O-N 3.21Å
304R68.3Low64.3Low211 Ų211125.7 Ų125.780%0.79667%0.67SS**Hα-helixtrans-62.9-41.2174.8-78.8-178.8171.6174.7-2.1111.9A300 A301 G306 A307 G308A300-R304 WeakPolarHBondContact O-CB 3.38Å; A300-R304 PolarHBondContact O-N 3.05Å; A301-R304 PolarHBondContact O-N 3.08Å; R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 3.19Å; R304-A307 PolarHBondContact O-N 3.5Å; R304-G308 PolarHBondContact O-N 3.3Å
305K62Low62.2Low183 Ų183128.7 Ų128.780%0.79669%0.69SS**Hα-helixtrans-67.1-27.1173.1-74.6-178.7177.8179.90113.2A301A301-K305 WeakPolarHBondContact O-CB 3.47Å; A301-K305 WeakPolarHBondContact O-CG 3.34Å; A301-K305 PolarHBondContact O-N 3.01Å
306G54.9Low59.7Low61 Ų61130.3 Ų130.363%0.62970%0.704SS**Hα-helixtrans-78.2-25.1173.600000114.6R302 R303 R304R302-G306 PolarHBondContact O-N 3.45Å; R303-G306 PolarHBondContact O-N 3.49Å; R303-G306 VanDerWaalsContact O-N 3.15Å; R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 3.19Å
307A52.6Low57.4Low85 Ų85126.5 Ų126.570%0.70271%0.71SS**Hα-helixtrans-83.4-15.9179.900000114R303 R304 G309R303-A307 PolarHBondContact O-N 3.21Å; R304-A307 PolarHBondContact O-N 3.5Å; A307-G309 PolarHBondContact O-N 3.02Å
308G47.6Very low55.1Low76 Ų76123.3 Ų123.378%0.78472%0.715SS**THydrogen-bonded Turntrans-77.78.4-179.900000115.7R304R304-G308 PolarHBondContact O-N 3.3Å
309G51.3Low52.8Low58 Ų58130.8 Ų130.860%0.59874%0.739SS**SBendtrans-14358.7-170.400000114.4A307A307-G309 PolarHBondContact O-N 3.02Å
310K40.4Very low50.8Low203 Ų203131.9 Ų131.988%0.88376%0.755SS**  trans-176.394.6148-106.7171-178.1-177.30110.3
311G43.9Very low48.9Very low81 Ų81140 Ų14084%0.83578%0.782SS**  trans-72.9132.9150.900000109
312R39.5Very low46.8Very low244 Ų244141.5 Ų141.592%0.92180%0.801SS**  trans-154115.2150.1-159.5167.7173.6165.7-2.9110.2
313K41.1Very low45.1Very low213 Ų213143.7 Ų143.793%0.92682%0.815SS**  trans-42.2136.6159.6-88.1171.5164.4175.20111
314G33.7Very low43.6Very low71 Ų71141 Ų14173%0.73285%0.853SS**  trans-159.796.4169.200000110
315N41.3Very low42.4Very low159 Ų159137.6 Ų137.685%0.8586%0.855SS**  trans-63.8129.8171.6-169.630.3000110.1
316T33.8Very low41.4Very low143 Ų143135.2 Ų135.288%0.87786%0.859SS**  trans-155.2117.4155.620.60000110.1
317A37.7Very low40.6Very low97 Ų97139.3 Ų139.380%0.80287%0.871SS**  trans-78.9154.1170.300000111.7
318G38.4Very low39.9Very low74 Ų74142.5 Ų142.576%0.76388%0.881SS**  trans88.798.5138.600000119.9
319R35Very low39.4Very low259 Ų259146.6 Ų146.698%0.97789%0.887SS**  trans163.3132.3137.9-104.4169.4147.9167.7-7.9106.2
320G37Very low38.6Very low73 Ų73152.5 Ų152.575%0.75391%0.907SS**  cis141.9125.82800000105.1
321K42.7Very low38.5Very low220 Ų220148.9 Ų148.996%0.95791%0.908SS**  trans-30.4147.9178.3-101.7169.7169.7174.80116.6
322G35.1Very low38.1Very low77 Ų77154.2 Ų154.279%0.79491%0.914SS**  trans-171.193.5153.800000111.9
323K41.2Very low38Very low222 Ų222146.7 Ų146.797%0.96591%0.914SS**  trans-70.5135.9158-85.2-177.8171.3-175.50107.7
324G38.7Very low37.7Very low152 Ų152140.6 Ų140.6100%1.56791%0.912SS**  trans-166.10168.200000107.1

Retrieved 324 of 324 residues in 177.6 ms (Link to these results)