A0A096LPR5_POEFO Loading...

Rieske domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LPR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 167 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
1M34.6Very low59.4Low239 Ų239140.6 Ų140.6100%1.17768%0.681SS**  0103.50-80.4170.7167.200105.7E3M1-E3 PolarHBondContact O-N 2.99Å
2E42.4Very low62.5Low194 Ų194137.9 Ų137.991%0.90766%0.664SS**  trans-76.6105.7172.7-72.4173130.700106.8K4E2-K4 PolarHBondContact O-N 2.75Å
3E41.5Very low65.2Low182 Ų182127.5 Ų127.585%0.8561%0.614SS**  trans-66.8104.5169.6-68.9-176.113500107.2M1 E5M1-E3 PolarHBondContact O-N 2.99Å; E3-E5 PolarHBondContact O-N 2.73Å
4K37Very low67.5Low196 Ų196118.6 Ų118.685%0.85257%0.573SS**  trans-63.4108.1170.4-77-179.9173.9178.80107.6E2 E6E2-K4 PolarHBondContact O-N 2.75Å; K4-E6 PolarHBondContact O-N 3.13Å; K4-E6 VanDerWaalsContact O-N 3.17Å
5E48.3Very low69.6Low157 Ų157118.3 Ų118.373%0.73457%0.567SS**  trans-55.1119.2163.6-71.1-168.6162.400108.3E3 K125E3-E5 PolarHBondContact O-N 2.73Å; E5-K125 IonicContact OE2-NZ 3.65Å; E5-K125 PolarHBondContact OE2-NZ 3.12Å
6E48.4Very low71.4Confident170 Ų170114.6 Ų114.679%0.79455%0.548SS*.  trans-49133.1163.5-74.8-74.6140.300108.1K4 G8K4-E6 PolarHBondContact O-N 3.13Å; K4-E6 VanDerWaalsContact O-N 3.17Å; E6-G8 PolarHBondContact O-N 3.46Å
7P53.4Low72.9Confident115 Ų115115.4 Ų115.475%0.74756%0.556SS**  trans-68.386.1-177.527.4-32.4000109R9P7-R9 PolarHBondContact O-N 2.83Å
8G68.4Low74.3Confident30 Ų30115.2 Ų115.231%0.30955%0.554SS.*PPolyproline II helixtrans-50.9137.6174.800000110.5E6 L10E6-G8 PolarHBondContact O-N 3.46Å; G8-L10 PolarHBondContact O-N 3.17Å
9R88.1Confident75.6Confident171 Ų171109.5 Ų109.565%0.64553%0.527SS*.PPolyproline II helixtrans-57.8134.1-176.7-175.6177.9179.8-176.44.2110.8P7 H11 E30P7-R9 PolarHBondContact O-N 2.83Å; R9-H11 PolarHBondContact O-CD2 3.41Å; R9-E30 WeakPolarHBondContact CD-OE1 3.33Å; R9-E30 IonicContact NH1-OE1 3.1Å
10L93.9Very high76.7Confident72 Ų72106.4 Ų106.438%0.37751%0.512SS..EExtended strand (participates in β ladder)trans-84130.9169.1-72168.9000109.4G8 F123 K125G8-L10 PolarHBondContact O-N 3.17Å; L10-F123 HydrophobicContact CB-CB 4.27Å; L10-F123 HydrophobicContact CB-CD1 4.28Å; L10-F123 HydrophobicContact CD2-CB 4.07Å; L10-K125 HydrophobicContact CD2-CB 3.99Å
11H96.9Very high77.7Confident21 Ų21110.1 Ų110.110%0.09753%0.527CS..EExtended strand (participates in β ladder)trans-111122.2177.1-61.7-86.5000110R9 V13 L29 E30 F123 V124R9-H11 PolarHBondContact O-CD2 3.41Å; H11-V13 PolarHBondContact O-N 2.76Å; H11-L29 HydrophobicContact CB-CD1 4.01Å; H11-L29 HydrophobicContact CB-CD2 3.79Å; H11-L29 HydrophobicContact CB-CG 4.42Å; H11-E30 VanDerWaalsContact CE1-CG 3.44Å; H11-E30 WeakPolarHBondContact CE1-CG 3.39Å; H11-E30 IonicContact CE1-OE1 3.3Å; H11-E30 PolarHBondContact CE1-OE1 3.32Å; H11-E30 IonicContact NE2-OE1 2.73Å; H11-E30 PolarHBondContact NE2-OE1 2.83Å; H11-F123 CarbonylContact O-C 3.53Å; H11-F123 WeakPolarHBondContact O-CA 3.38Å; H11-V124 WeakPolarHBondContact CB-O 3.38Å; H11-V124 PolarHBondContact CD2-O 2.8Å; H11-V124 PolarHBondContact N-O 2.79Å; H11-V124 PolarHBondContact O-N 2.78Å
12F97.2Very high80.7Confident108 Ų108101.5 Ų101.547%0.47449%0.493SS..EExtended strand (participates in β ladder)trans-63.3128.2170.7174.3-104.2000110G14 E121 F123F12-G14 WeakPolarHBondContact CE2-O 3.27Å; F12-G14 VanDerWaalsContact CZ-CA 3.43Å; F12-E121 HydrophobicContact CD2-CB 4.1Å; F12-E121 HydrophobicContact CD2-CG 4.48Å; F12-E121 HydrophobicContact CE2-CB 3.81Å; F12-E121 HydrophobicContact CE2-CG 3.86Å; F12-F123 HydrophobicContact CB-CD1 4.03Å; F12-F123 HydrophobicContact CB-CE1 3.72Å; F12-F123 HydrophobicContact CB-CZ 4.49Å; F12-F123 HydrophobicContact CD2-CE1 4.13Å; F12-F123 HydrophobicContact CD2-CZ 4.08Å; F12-F123 HydrophobicContact CG-CE1 4.43Å
13V97.8Very high83.3Confident2 Ų299 Ų991%0.01248%0.479CS..EExtended strand (participates in β ladder)trans-117.5-11.7-179.8-64.10000113.9H11 L19 R27 L29 I36 I122 V124H11-V13 PolarHBondContact O-N 2.76Å; V13-L19 HydrophobicContact CG2-CD1 4.02Å; V13-R27 HydrophobicContact CB-CG 4.07Å; V13-R27 HydrophobicContact CG1-CG 4.04Å; V13-R27 VanDerWaalsContact O-CZ 3.29Å; V13-R27 PolarHBondContact O-NE 3.39Å; V13-R27 PolarHBondContact O-NH2 3.15Å; V13-L29 HydrophobicContact CG1-CD1 4.18Å; V13-L29 HydrophobicContact CG1-CD2 4.3Å; V13-I36 HydrophobicContact CB-CD1 3.7Å; V13-I36 HydrophobicContact CG1-CD1 3.9Å; V13-I36 HydrophobicContact CG2-CD1 3.99Å; V13-I36 HydrophobicContact CG2-CG1 4.4Å; V13-I122 HydrophobicContact CG2-CB 3.91Å; V13-I122 HydrophobicContact CG2-CG2 3.64Å; V13-I122 WeakPolarHBondContact CG2-O 3.49Å; V13-I122 PolarHBondContact N-O 3.5Å; V13-V124 HydrophobicContact CB-CG2 4.46Å; V13-V124 HydrophobicContact CG1-CB 4.04Å; V13-V124 HydrophobicContact CG1-CG2 3.71Å; V13-V124 HydrophobicContact CG2-CG2 3.94Å
14G97.6Very high86Confident4 Ų493.4 Ų93.44%0.04145%0.45CS..EExtended strand (participates in β ladder)trans150.5173.8174.500000113.2F12 I122F12-G14 WeakPolarHBondContact CE2-O 3.27Å; F12-G14 VanDerWaalsContact CZ-CA 3.43Å; G14-I122 PolarHBondContact O-N 3.35Å
15K98.2Very high88.9Confident113 Ų11384.8 Ų84.849%0.49141%0.414SS..EExtended strand (participates in β ladder)trans-73.8145.1170.8-65-178.1-178.7173.60110.2D17 E18 L19K15-D17 PolarHBondContact O-N 3.37Å; K15-E18 HydrophobicContact CB-CB 4.4Å; K15-E18 HydrophobicContact CB-CG 4.14Å; K15-E18 PolarHBondContact O-N 3.3Å; K15-L19 WeakPolarHBondContact O-CG 3.41Å; K15-L19 PolarHBondContact O-N 3.27Å
16K98.1Very high91.2Very high59 Ų5980.4 Ų80.426%0.25739%0.393SS..Hα-helixtrans-53.6-53-179175.1171.3-1801670112.2E18 L19 I20 F43 E117 G120 I122K16-E18 VanDerWaalsContact C-N 3.28Å; K16-E18 PolarHBondContact O-N 3.48Å; K16-L19 PolarHBondContact O-N 3.44Å; K16-I20 HydrophobicContact CD-CD1 4.34Å; K16-I20 HydrophobicContact CG-CD1 3.6Å; K16-I20 HydrophobicContact CG-CG1 4.23Å; K16-I20 WeakPolarHBondContact O-CB 3.26Å; K16-I20 VanDerWaalsContact O-CG1 3.29Å; K16-I20 WeakPolarHBondContact O-CG1 3.37Å; K16-I20 PolarHBondContact O-N 3.14Å; K16-F43 HydrophobicContact CG-CE2 4.2Å; K16-F43 HydrophobicContact CG-CZ 4.41Å; K16-E117 HydrophobicContact CD-CG 4.45Å; K16-E117 VanDerWaalsContact CD-OE1 3.27Å; K16-E117 WeakPolarHBondContact CD-OE1 3.36Å; K16-E117 WeakPolarHBondContact CD-OE2 3.29Å; K16-E117 WeakPolarHBondContact CE-OE2 3.47Å; K16-E117 IonicContact NZ-OE1 2.78Å; K16-E117 PolarHBondContact NZ-OE1 2.94Å; K16-E117 IonicContact NZ-OE2 2.75Å; K16-E117 PolarHBondContact NZ-OE2 2.91Å; K16-G120 VanDerWaalsContact CB-O 3.26Å; K16-G120 WeakPolarHBondContact CB-O 3.5Å; K16-G120 PolarHBondContact N-O 2.98Å; K16-I122 HydrophobicContact CB-CD1 4.16Å; K16-I122 HydrophobicContact CB-CG1 4.23Å; K16-I122 HydrophobicContact CG-CD1 4.41Å
17D98.1Very high93.6Very high128 Ų12876.7 Ų76.768%0.68437%0.372SS*.Hα-helixtrans-63.7-35.9-174.7-60.5-26.1000112.4K15 K21K15-D17 PolarHBondContact O-N 3.37Å; D17-K21 WeakPolarHBondContact O-CB 3.41Å; D17-K21 PolarHBondContact O-N 3.06Å
18E98Very high95.6Very high113 Ų11375 Ų7553%0.52836%0.36SS..Hα-helixtrans-66.4-45.3176.1-65.7172.6178.900111.1K15 K16 K21 A22K15-E18 HydrophobicContact CB-CB 4.4Å; K15-E18 HydrophobicContact CB-CG 4.14Å; K15-E18 PolarHBondContact O-N 3.3Å; K16-E18 VanDerWaalsContact C-N 3.28Å; K16-E18 PolarHBondContact O-N 3.48Å; E18-K21 PolarHBondContact O-N 2.92Å; E18-A22 WeakPolarHBondContact O-CB 3.34Å; E18-A22 PolarHBondContact O-N 3.41Å
19L97.9Very high96.9Very high6 Ų674.2 Ų74.23%0.03135%0.348CS..Hα-helixtrans-71-35179.3-65.1173.6000112.5V13 K15 K16 A22 K23 F43 I122V13-L19 HydrophobicContact CG2-CD1 4.02Å; K15-L19 WeakPolarHBondContact O-CG 3.41Å; K15-L19 PolarHBondContact O-N 3.27Å; K16-L19 PolarHBondContact O-N 3.44Å; L19-A22 PolarHBondContact O-N 2.99Å; L19-K23 PolarHBondContact O-N 2.9Å; L19-F43 HydrophobicContact CB-CE1 3.69Å; L19-F43 HydrophobicContact CB-CZ 4.02Å; L19-F43 HydrophobicContact CD1-CE1 4.49Å; L19-I122 HydrophobicContact CD1-CB 3.64Å; L19-I122 HydrophobicContact CD1-CG1 3.77Å; L19-I122 HydrophobicContact CD1-CG2 4.13Å
20I98.2Very high97.2Very high47 Ų4771.2 Ų71.224%0.24134%0.341CS..Hα-helixtrans-60.5-48.6171.3-72.8175.9000109.9K16 A22 K23 Y38 F43K16-I20 HydrophobicContact CD-CD1 4.34Å; K16-I20 HydrophobicContact CG-CD1 3.6Å; K16-I20 HydrophobicContact CG-CG1 4.23Å; K16-I20 WeakPolarHBondContact O-CB 3.26Å; K16-I20 VanDerWaalsContact O-CG1 3.29Å; K16-I20 WeakPolarHBondContact O-CG1 3.37Å; K16-I20 PolarHBondContact O-N 3.14Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 3.18Å; I20-K23 PolarHBondContact O-N 2.94Å; I20-K23 VanDerWaalsContact O-N 3.15Å; I20-Y38 HydrophobicContact CB-CD1 4.13Å; I20-Y38 HydrophobicContact CB-CE1 4.13Å; I20-Y38 HydrophobicContact CD1-CE1 4.42Å; I20-Y38 HydrophobicContact CD1-CE2 4.15Å; I20-Y38 HydrophobicContact CG1-CD1 3.96Å; I20-Y38 HydrophobicContact CG1-CD2 3.96Å; I20-Y38 HydrophobicContact CG1-CE1 3.82Å; I20-Y38 HydrophobicContact CG1-CE2 3.8Å; I20-Y38 HydrophobicContact CG1-CG 4.01Å; I20-Y38 HydrophobicContact CG2-CD1 3.96Å; I20-Y38 HydrophobicContact CG2-CE1 3.62Å; I20-F43 HydrophobicContact CG1-CE2 4.3Å; I20-F43 HydrophobicContact CG1-CZ 3.77Å
21K98Very high97.1Very high186 Ų18669.8 Ų69.881%0.80935%0.345SS*.Hα-helixtrans-62.7-41.9179.1-175.1179.4-179.8-178.60111.7D17 E18 K23D17-K21 WeakPolarHBondContact O-CB 3.41Å; D17-K21 PolarHBondContact O-N 3.06Å; E18-K21 PolarHBondContact O-N 2.92Å; K21-K23 PolarHBondContact O-N 2.78Å
22A97.4Very high97Very high57 Ų5770.3 Ų70.347%0.47135%0.346SS..Hα-helixtrans-66.5-26.9177.200000112.4E18 L19 I20 R24E18-A22 WeakPolarHBondContact O-CB 3.34Å; E18-A22 PolarHBondContact O-N 3.41Å; L19-A22 PolarHBondContact O-N 2.99Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 3.18Å; A22-R24 PolarHBondContact O-N 2.87Å
23K97.8Very high97Very high141 Ų14166 Ų6661%0.61333%0.328SS*.SBendtrans60.3-32.9-170.2-59.5-177.2178.1178.80114.7L19 I20 K21 Y38L19-K23 PolarHBondContact O-N 2.9Å; I20-K23 PolarHBondContact O-N 2.94Å; I20-K23 VanDerWaalsContact O-N 3.15Å; K21-K23 PolarHBondContact O-N 2.78Å; K23-Y38 PolarHBondContact O-N 2.77Å
24R97.7Very high97Very high66 Ų6666 Ų6625%0.24933%0.327CS..EExtended strand (participates in β ladder)trans-141.7141.7179.2-60.7-177.8-173-177.2-2.6109.3A22 L35 I36 E58 G60A22-R24 PolarHBondContact O-N 2.87Å; R24-L35 HydrophobicContact CB-CD1 4.38Å; R24-I36 CarbonylContact C-O 3.43Å; R24-I36 VanDerWaalsContact CA-O 3.25Å; R24-I36 WeakPolarHBondContact CA-O 3.47Å; R24-E58 WeakPolarHBondContact CD-O 3.36Å; R24-E58 PolarHBondContact NH1-O 2.92Å; R24-G60 PolarHBondContact NH1-O 2.91Å; R24-G60 PolarHBondContact NH2-O 2.7Å
25S97.5Very high97.1Very high14 Ų1465.8 Ų65.810%0.09833%0.325CS..EExtended strand (participates in β ladder)trans-150.2134.5179.7-177.70000111R27 I36S25-R27 PolarHBondContact OG-NH1 2.87Å; S25-R27 PolarHBondContact OG-NH2 2.87Å; S25-I36 PolarHBondContact N-O 2.86Å; S25-I36 PolarHBondContact O-N 2.79Å
26F97.5Very high97.1Very high66 Ų6660.5 Ų60.529%0.28930%0.303SS..EExtended strand (participates in β ladder)trans-90.1139.7174.9175.9-90.2000111.8T28 D33 C48F26-T28 WeakPolarHBondContact CE1-OG1 3.41Å; F26-D33 HydrophobicContact CE2-CB 3.63Å; F26-D33 HydrophobicContact CZ-CB 3.75Å; F26-D33 VanDerWaalsContact CZ-CG 3.42Å; F26-D33 WeakPolarHBondContact CZ-OD1 3.21Å; F26-C48 HydrophobicContact CD2-CB 4.12Å; F26-C48 HydrophobicContact CE2-CB 4.04Å
27R97.4Very high97.1Very high91 Ų9157.7 Ų57.734%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-142.9140.4171.3-64.6-66178.5-99.6-1.9111.1V13 S25 L29 V34 I36V13-R27 HydrophobicContact CB-CG 4.07Å; V13-R27 HydrophobicContact CG1-CG 4.04Å; V13-R27 VanDerWaalsContact O-CZ 3.29Å; V13-R27 PolarHBondContact O-NE 3.39Å; V13-R27 PolarHBondContact O-NH2 3.15Å; S25-R27 PolarHBondContact OG-NH1 2.87Å; S25-R27 PolarHBondContact OG-NH2 2.87Å; R27-L29 HydrophobicContact CB-CD2 4.09Å; R27-L29 HydrophobicContact CB-CG 4.23Å; R27-V34 PolarHBondContact N-O 2.79Å; R27-V34 PolarHBondContact O-N 2.92Å; R27-I36 HydrophobicContact CB-CD1 4.07Å; R27-I36 HydrophobicContact CG-CD1 3.42Å; R27-I36 VanDerWaalsContact CG-CD1 3.42Å
28T96.8Very high97.1Very high80 Ų8054.5 Ų54.549%0.49127%0.269SS..EExtended strand (participates in β ladder)trans-97115.9166.2-54.90000108.9F26 R32 D33F26-T28 WeakPolarHBondContact CE1-OG1 3.41Å; T28-R32 CarbonylContact C-O 3.52Å; T28-R32 WeakPolarHBondContact CA-O 3.14Å; T28-D33 WeakPolarHBondContact CB-OD1 3.31Å; T28-D33 WeakPolarHBondContact CG2-OD1 3.48Å; T28-D33 PolarHBondContact OG1-OD1 2.81Å
29L95.6Very high97.1Very high13 Ų1351.5 Ų51.57%0.06826%0.255CS..EExtended strand (participates in β ladder)trans-118.3117-178.5-54.8-178.2000108.4H11 V13 R27 G31 R32 V34 V124 L126H11-L29 HydrophobicContact CB-CD1 4.01Å; H11-L29 HydrophobicContact CB-CD2 3.79Å; H11-L29 HydrophobicContact CB-CG 4.42Å; V13-L29 HydrophobicContact CG1-CD1 4.18Å; V13-L29 HydrophobicContact CG1-CD2 4.3Å; R27-L29 HydrophobicContact CB-CD2 4.09Å; R27-L29 HydrophobicContact CB-CG 4.23Å; L29-G31 PolarHBondContact O-N 2.67Å; L29-G31 VanDerWaalsContact O-N 3.12Å; L29-R32 PolarHBondContact N-O 2.89Å; L29-R32 WeakPolarHBondContact O-CA 3.44Å; L29-R32 VanDerWaalsContact O-CB 3.3Å; L29-R32 WeakPolarHBondContact O-CB 3.25Å; L29-R32 PolarHBondContact O-N 2.77Å; L29-V34 HydrophobicContact CD1-CG2 4.27Å; L29-V124 HydrophobicContact CD1-CB 3.87Å; L29-V124 HydrophobicContact CD1-CG1 3.87Å; L29-L126 HydrophobicContact CB-CD1 4.01Å; L29-L126 HydrophobicContact CB-CD2 4.16Å; L29-L126 HydrophobicContact CB-CG 4.33Å; L29-L126 HydrophobicContact CD1-CD2 4.12Å
30E93.3Very high97Very high108 Ų10857.7 Ų57.751%0.50528%0.284SS..THydrogen-bonded Turntrans51.537.5-179.1-51-166.4164.800113.4R9 H11 R32 L126R9-E30 WeakPolarHBondContact CD-OE1 3.33Å; R9-E30 IonicContact NH1-OE1 3.1Å; H11-E30 VanDerWaalsContact CE1-CG 3.44Å; H11-E30 WeakPolarHBondContact CE1-CG 3.39Å; H11-E30 IonicContact CE1-OE1 3.3Å; H11-E30 PolarHBondContact CE1-OE1 3.32Å; H11-E30 IonicContact NE2-OE1 2.73Å; H11-E30 PolarHBondContact NE2-OE1 2.83Å; E30-R32 VanDerWaalsContact C-N 3.25Å; E30-R32 PolarHBondContact O-N 3.22Å; E30-L126 HydrophobicContact CB-CD1 4.06Å; E30-L126 HydrophobicContact CG-CD1 4.22Å
31G92.2Very high97Very high43 Ų4357.9 Ų57.944%0.44330%0.298SS..THydrogen-bonded Turntrans78.13.5-178.100000115.1L29L29-G31 PolarHBondContact O-N 2.67Å; L29-G31 VanDerWaalsContact O-N 3.12Å
32R94.6Very high96.9Very high32 Ų3252.3 Ų52.312%0.12128%0.279CS..EExtended strand (participates in β ladder)trans-102.9129.8174.8-166.1175.7-16810410.6110.9T28 L29 E30 D47 R111 D136 Q139T28-R32 CarbonylContact C-O 3.52Å; T28-R32 WeakPolarHBondContact CA-O 3.14Å; L29-R32 PolarHBondContact N-O 2.89Å; L29-R32 WeakPolarHBondContact O-CA 3.44Å; L29-R32 VanDerWaalsContact O-CB 3.3Å; L29-R32 WeakPolarHBondContact O-CB 3.25Å; L29-R32 PolarHBondContact O-N 2.77Å; E30-R32 VanDerWaalsContact C-N 3.25Å; E30-R32 PolarHBondContact O-N 3.22Å; R32-D47 IonicContact CZ-OD1 2.93Å; R32-D47 IonicContact CZ-OD2 2.6Å; R32-D47 IonicContact NE-OD1 3.21Å; R32-D47 PolarHBondContact NE-OD1 3.27Å; R32-D47 IonicContact NE-OD2 3.68Å; R32-D47 IonicContact NH2-OD1 3.42Å; R32-D47 PolarHBondContact NH2-OD1 2.95Å; R32-D47 IonicContact NH2-OD2 3.61Å; R32-D47 PolarHBondContact NH2-OD2 2.9Å; R32-R111 VanDerWaalsContact NH2-CD 3.3Å; R32-D136 IonicContact CZ-OD1 2.6Å; R32-D136 IonicContact NH1-OD1 2.71Å; R32-D136 PolarHBondContact NH1-OD1 3.36Å; R32-D136 IonicContact NH2-OD1 3.25Å; R32-D136 PolarHBondContact NH2-OD1 3.31Å; R32-Q139 HydrophobicContact CG-CB 4.31Å; R32-Q139 HydrophobicContact CG-CG 3.87Å
33D97.5Very high97Very high18 Ų1851 Ų5110%0.09626%0.262CS..EExtended strand (participates in β ladder)trans-92114.6-177.1-73.2-20000110.9F26 T28 C48 Y49 Q139 R147F26-D33 HydrophobicContact CE2-CB 3.63Å; F26-D33 HydrophobicContact CZ-CB 3.75Å; F26-D33 VanDerWaalsContact CZ-CG 3.42Å; F26-D33 WeakPolarHBondContact CZ-OD1 3.21Å; T28-D33 WeakPolarHBondContact CB-OD1 3.31Å; T28-D33 WeakPolarHBondContact CG2-OD1 3.48Å; T28-D33 PolarHBondContact OG1-OD1 2.81Å; D33-C48 HydrophobicContact CB-CB 4.26Å; D33-C48 WeakPolarHBondContact O-CB 3.46Å; D33-C48 PolarHBondContact O-N 3.29Å; D33-Y49 HydrophobicContact CB-CD2 4.14Å; D33-Y49 HydrophobicContact CB-CE2 3.42Å; D33-Y49 VanDerWaalsContact CB-CE2 3.42Å; D33-Y49 WeakPolarHBondContact OD2-CE2 3.36Å; D33-Y49 PolarHBondContact OD2-OH 2.82Å; D33-Q139 VanDerWaalsContact N-OE1 3.08Å; D33-Q139 PolarHBondContact O-NE2 2.85Å; D33-R147 IonicContact OD2-NH2 2.92Å
34V98.1Very high97Very high0 Ų046 Ų460%024%0.24CC..EExtended strand (participates in β ladder)trans-114.3135.2-172.6178.50000110.2R27 L29 I36 A45 M46 L126R27-V34 PolarHBondContact N-O 2.79Å; R27-V34 PolarHBondContact O-N 2.92Å; L29-V34 HydrophobicContact CD1-CG2 4.27Å; V34-I36 HydrophobicContact CG1-CG1 4.49Å; V34-A45 HydrophobicContact CG1-CB 3.96Å; V34-M46 CarbonylContact C-O 3.52Å; V34-M46 WeakPolarHBondContact CA-O 3.48Å; V34-L126 HydrophobicContact CG2-CD2 3.91Å
35L98.6Very high97Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-98.4119.5169.1179.963.5000108.9R24 I37 A45 M46 C48 L57 E58 I71R24-L35 HydrophobicContact CB-CD1 4.38Å; L35-I37 HydrophobicContact CD2-CD1 3.88Å; L35-I37 HydrophobicContact CD2-CG1 4.05Å; L35-I37 HydrophobicContact CG-CD1 4.15Å; L35-I37 HydrophobicContact CG-CG1 3.82Å; L35-A45 WeakPolarHBondContact O-CA 3.27Å; L35-M46 PolarHBondContact N-O 3.2Å; L35-M46 PolarHBondContact O-N 2.84Å; L35-C48 HydrophobicContact CB-CB 4.16Å; L35-L57 HydrophobicContact CD2-CB 3.88Å; L35-E58 HydrophobicContact CD1-CB 4.29Å; L35-E58 HydrophobicContact CD1-CG 4.26Å; L35-I71 HydrophobicContact CD2-CD1 4.13Å
36I98.6Very high97.1Very high3 Ų342.3 Ų42.32%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-94.8130.5171.1-59.4126.8000107.9V13 R24 S25 R27 V34 F43 Y44 V124V13-I36 HydrophobicContact CB-CD1 3.7Å; V13-I36 HydrophobicContact CG1-CD1 3.9Å; V13-I36 HydrophobicContact CG2-CD1 3.99Å; V13-I36 HydrophobicContact CG2-CG1 4.4Å; R24-I36 CarbonylContact C-O 3.43Å; R24-I36 VanDerWaalsContact CA-O 3.25Å; R24-I36 WeakPolarHBondContact CA-O 3.47Å; S25-I36 PolarHBondContact N-O 2.86Å; S25-I36 PolarHBondContact O-N 2.79Å; R27-I36 HydrophobicContact CB-CD1 4.07Å; R27-I36 HydrophobicContact CG-CD1 3.42Å; R27-I36 VanDerWaalsContact CG-CD1 3.42Å; V34-I36 HydrophobicContact CG1-CG1 4.49Å; I36-F43 HydrophobicContact CG2-CD1 4.04Å; I36-Y44 CarbonylContact C-O 3.6Å; I36-Y44 WeakPolarHBondContact CA-O 3.15Å; I36-V124 HydrophobicContact CG1-CG2 4.21Å
37I98.6Very high97.1Very high0 Ų039.2 Ų39.20%021%0.211CC..EExtended strand (participates in β ladder)trans-127128.5-176.5-57.7170.6000107.9L35 H39 F43 Y44 M46 I62 I71 L82L35-I37 HydrophobicContact CD2-CD1 3.88Å; L35-I37 HydrophobicContact CD2-CG1 4.05Å; L35-I37 HydrophobicContact CG-CD1 4.15Å; L35-I37 HydrophobicContact CG-CG1 3.82Å; I37-H39 HydrophobicContact CG2-CB 4.24Å; I37-F43 CarbonylContact O-C 3.6Å; I37-F43 VanDerWaalsContact O-CA 3.32Å; I37-F43 WeakPolarHBondContact O-CA 3.37Å; I37-Y44 PolarHBondContact N-O 3.09Å; I37-Y44 PolarHBondContact O-N 2.88Å; I37-M46 HydrophobicContact CD1-SD 4.21Å; I37-I62 HydrophobicContact CG2-CD1 3.59Å; I37-I71 HydrophobicContact CD1-CD1 3.74Å; I37-L82 HydrophobicContact CD1-CD2 3.66Å
38Y98.4Very high97.1Very high60 Ų6034.9 Ų34.924%0.23520%0.195CC..EExtended strand (participates in β ladder)trans-103117.8165.2-177.8-107.4000109.3I20 K23 G41 V42 F43I20-Y38 HydrophobicContact CB-CD1 4.13Å; I20-Y38 HydrophobicContact CB-CE1 4.13Å; I20-Y38 HydrophobicContact CD1-CE1 4.42Å; I20-Y38 HydrophobicContact CD1-CE2 4.15Å; I20-Y38 HydrophobicContact CG1-CD1 3.96Å; I20-Y38 HydrophobicContact CG1-CD2 3.96Å; I20-Y38 HydrophobicContact CG1-CE1 3.82Å; I20-Y38 HydrophobicContact CG1-CE2 3.8Å; I20-Y38 HydrophobicContact CG1-CG 4.01Å; I20-Y38 HydrophobicContact CG2-CD1 3.96Å; I20-Y38 HydrophobicContact CG2-CE1 3.62Å; K23-Y38 PolarHBondContact O-N 2.77Å; Y38-G41 VanDerWaalsContact CE2-C 3.43Å; Y38-G41 WeakPolarHBondContact OH-CA 3.35Å; Y38-V42 WeakPolarHBondContact CA-O 3.32Å; Y38-F43 AromaticContact CD2-CD1 3.98Å; Y38-F43 HydrophobicContact CD2-CD1 3.98Å; Y38-F43 AromaticContact CD2-CD2 3.98Å; Y38-F43 HydrophobicContact CD2-CD2 3.98Å; Y38-F43 AromaticContact CD2-CE1 3.82Å; Y38-F43 HydrophobicContact CD2-CE1 3.82Å; Y38-F43 AromaticContact CD2-CE2 3.82Å; Y38-F43 HydrophobicContact CD2-CE2 3.82Å; Y38-F43 HydrophobicContact CD2-CG 4.07Å; Y38-F43 AromaticContact CD2-CZ 3.75Å; Y38-F43 HydrophobicContact CD2-CZ 3.75Å; Y38-F43 HydrophobicContact CE2-CD2 4.44Å; Y38-F43 HydrophobicContact CE2-CE2 4.16Å; Y38-F43 HydrophobicContact CE2-CZ 4.4Å; Y38-F43 HydrophobicContact CG-CD1 4.43Å; Y38-F43 HydrophobicContact CG-CE1 4.1Å; Y38-F43 HydrophobicContact CG-CZ 4.3Å
39H98.1Very high97.2Very high50 Ų5032.1 Ų32.123%0.23118%0.175CC..EExtended strand (participates in β ladder)trans-145133.5178.9-166.678.6000110.2I37 G41 V42 Y44 I62I37-H39 HydrophobicContact CG2-CB 4.24Å; H39-G41 VanDerWaalsContact C-N 3.26Å; H39-G41 PolarHBondContact O-N 2.86Å; H39-V42 PolarHBondContact N-O 3.39Å; H39-V42 PolarHBondContact O-N 2.82Å; H39-Y44 HydrophobicContact CB-CE2 4.34Å; H39-I62 HydrophobicContact CB-CD1 4.21Å
40Q96.2Very high97.3Very high136 Ų13631.5 Ų31.564%0.63617%0.172SC*.THydrogen-bonded Turntrans48.442.9178.6-66.8178.610.700114.3V42Q40-V42 VanDerWaalsContact C-N 3.29Å; Q40-V42 PolarHBondContact O-N 3.05Å
41G96.4Very high97.5Very high52 Ų5227.2 Ų27.254%0.53615%0.151SC..THydrogen-bonded Turntrans85.5-5.8177.800000115.1Y38 H39Y38-G41 VanDerWaalsContact CE2-C 3.43Å; Y38-G41 WeakPolarHBondContact OH-CA 3.35Å; H39-G41 VanDerWaalsContact C-N 3.26Å; H39-G41 PolarHBondContact O-N 2.86Å
42V97.5Very high97.6Very high69 Ų6928.5 Ų28.542%0.41815%0.146SC..EExtended strand (participates in β ladder)trans-117.5140.8-172.4-176.90000110.8Y38 H39 Q40 Y44Y38-V42 WeakPolarHBondContact CA-O 3.32Å; H39-V42 PolarHBondContact N-O 3.39Å; H39-V42 PolarHBondContact O-N 2.82Å; Q40-V42 VanDerWaalsContact C-N 3.29Å; Q40-V42 PolarHBondContact O-N 3.05Å; V42-Y44 HydrophobicContact CB-CE2 3.8Å; V42-Y44 HydrophobicContact CG1-CD2 4.41Å; V42-Y44 HydrophobicContact CG1-CE1 3.93Å; V42-Y44 HydrophobicContact CG1-CE2 3.82Å
43F98.4Very high97.6Very high28 Ų2828.5 Ų28.512%0.12315%0.153CC..EExtended strand (participates in β ladder)trans-92.8135.4168.5-74.5-78.6000111.4K16 L19 I20 I36 I37 Y38 V115 I122K16-F43 HydrophobicContact CG-CE2 4.2Å; K16-F43 HydrophobicContact CG-CZ 4.41Å; L19-F43 HydrophobicContact CB-CE1 3.69Å; L19-F43 HydrophobicContact CB-CZ 4.02Å; L19-F43 HydrophobicContact CD1-CE1 4.49Å; I20-F43 HydrophobicContact CG1-CE2 4.3Å; I20-F43 HydrophobicContact CG1-CZ 3.77Å; I36-F43 HydrophobicContact CG2-CD1 4.04Å; I37-F43 CarbonylContact O-C 3.6Å; I37-F43 VanDerWaalsContact O-CA 3.32Å; I37-F43 WeakPolarHBondContact O-CA 3.37Å; Y38-F43 AromaticContact CD2-CD1 3.98Å; Y38-F43 HydrophobicContact CD2-CD1 3.98Å; Y38-F43 AromaticContact CD2-CD2 3.98Å; Y38-F43 HydrophobicContact CD2-CD2 3.98Å; Y38-F43 AromaticContact CD2-CE1 3.82Å; Y38-F43 HydrophobicContact CD2-CE1 3.82Å; Y38-F43 AromaticContact CD2-CE2 3.82Å; Y38-F43 HydrophobicContact CD2-CE2 3.82Å; Y38-F43 HydrophobicContact CD2-CG 4.07Å; Y38-F43 AromaticContact CD2-CZ 3.75Å; Y38-F43 HydrophobicContact CD2-CZ 3.75Å; Y38-F43 HydrophobicContact CE2-CD2 4.44Å; Y38-F43 HydrophobicContact CE2-CE2 4.16Å; Y38-F43 HydrophobicContact CE2-CZ 4.4Å; Y38-F43 HydrophobicContact CG-CD1 4.43Å; Y38-F43 HydrophobicContact CG-CE1 4.1Å; Y38-F43 HydrophobicContact CG-CZ 4.3Å; F43-V115 HydrophobicContact CB-CB 4.22Å; F43-V115 HydrophobicContact CB-CG1 3.7Å; F43-V115 HydrophobicContact CB-CG2 4.38Å; F43-V115 HydrophobicContact CG-CG1 4.42Å; F43-I122 HydrophobicContact CD2-CD1 3.81Å; F43-I122 HydrophobicContact CD2-CG1 4.39Å; F43-I122 HydrophobicContact CE1-CG1 4.42Å; F43-I122 HydrophobicContact CE2-CD1 3.51Å; F43-I122 HydrophobicContact CE2-CG1 3.92Å; F43-I122 HydrophobicContact CZ-CD1 4.05Å; F43-I122 HydrophobicContact CZ-CG1 3.92Å
44Y98.6Very high97.5Very high38 Ų3828 Ų2815%0.14915%0.151CC..EExtended strand (participates in β ladder)trans-121.4147.1172-54.2-87.4000108.8I36 I37 H39 V42 L82 A83I36-Y44 CarbonylContact C-O 3.6Å; I36-Y44 WeakPolarHBondContact CA-O 3.15Å; I37-Y44 PolarHBondContact N-O 3.09Å; I37-Y44 PolarHBondContact O-N 2.88Å; H39-Y44 HydrophobicContact CB-CE2 4.34Å; V42-Y44 HydrophobicContact CB-CE2 3.8Å; V42-Y44 HydrophobicContact CG1-CD2 4.41Å; V42-Y44 HydrophobicContact CG1-CE1 3.93Å; V42-Y44 HydrophobicContact CG1-CE2 3.82Å; Y44-L82 HydrophobicContact CD1-CB 3.69Å; Y44-L82 WeakPolarHBondContact CD1-O 3.35Å; Y44-L82 HydrophobicContact CD2-CB 4.18Å; Y44-L82 HydrophobicContact CD2-CD1 3.92Å; Y44-L82 HydrophobicContact CE1-CB 3.91Å; Y44-L82 HydrophobicContact CE2-CB 4.38Å; Y44-L82 HydrophobicContact CE2-CD1 3.96Å; Y44-L82 HydrophobicContact CG-CB 3.84Å; Y44-L82 HydrophobicContact CG-CD1 4.38Å; Y44-A83 HydrophobicContact CE1-CB 4.35Å
45A98.4Very high97.3Very high2 Ų228 Ų282%0.01715%0.152CC..EExtended strand (participates in β ladder)trans-131.2131.4169.900000108.7V34 L35 V112 H113 V115 V124V34-A45 HydrophobicContact CG1-CB 3.96Å; L35-A45 WeakPolarHBondContact O-CA 3.27Å; A45-V112 CarbonylContact O-C 3.52Å; A45-V112 WeakPolarHBondContact O-CA 3.38Å; A45-H113 HydrophobicContact CB-CB 3.96Å; A45-H113 PolarHBondContact O-N 2.89Å; A45-V115 HydrophobicContact CB-CG2 3.46Å; A45-V115 VanDerWaalsContact CB-CG2 3.46Å; A45-V124 HydrophobicContact CB-CG1 4.05Å; A45-V124 HydrophobicContact CB-CG2 3.98Å
46M98.3Very high97.2Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-149.2165.1178.173.8-163.7-28.600110.6V34 L35 I37 C48 L57 I71 I80 L82 Q110 R111 V112V34-M46 CarbonylContact C-O 3.52Å; V34-M46 WeakPolarHBondContact CA-O 3.48Å; L35-M46 PolarHBondContact N-O 3.2Å; L35-M46 PolarHBondContact O-N 2.84Å; I37-M46 HydrophobicContact CD1-SD 4.21Å; M46-C48 PolarHBondContact O-N 2.89Å; M46-L57 HydrophobicContact SD-CD1 4.45Å; M46-I71 HydrophobicContact CE-CG2 4.4Å; M46-I71 HydrophobicContact SD-CG2 3.88Å; M46-I80 HydrophobicContact CE-CG2 3.65Å; M46-L82 HydrophobicContact SD-CD2 4.14Å; M46-Q110 HydrophobicContact CB-CG 4.47Å; M46-Q110 HydrophobicContact CE-CB 4.23Å; M46-Q110 HydrophobicContact CE-CG 3.83Å; M46-Q110 HydrophobicContact CG-CG 4.47Å; M46-R111 CarbonylContact C-O 3.53Å; M46-R111 WeakPolarHBondContact CA-O 3.01Å; M46-R111 WeakPolarHBondContact CB-O 3.34Å; M46-V112 HydrophobicContact CB-CG1 4.14Å; M46-V112 HydrophobicContact CE-CG1 4.12Å
47D97.9Very high97.1Very high0 Ų029.9 Ų29.90%016%0.164CC..EExtended strand (participates in β ladder)trans-50.6132.3170.6-83-22.2000111.4R32 Y49 Q110 R111 H113 S135 Q139R32-D47 IonicContact CZ-OD1 2.93Å; R32-D47 IonicContact CZ-OD2 2.6Å; R32-D47 IonicContact NE-OD1 3.21Å; R32-D47 PolarHBondContact NE-OD1 3.27Å; R32-D47 IonicContact NE-OD2 3.68Å; R32-D47 IonicContact NH2-OD1 3.42Å; R32-D47 PolarHBondContact NH2-OD1 2.95Å; R32-D47 IonicContact NH2-OD2 3.61Å; R32-D47 PolarHBondContact NH2-OD2 2.9Å; D47-Y49 PolarHBondContact O-N 3.37Å; D47-Q110 HydrophobicContact CB-CG 4.44Å; D47-Q110 PolarHBondContact O-NE2 3.44Å; D47-R111 PolarHBondContact N-O 2.9Å; D47-R111 WeakPolarHBondContact OD2-CB 3.46Å; D47-H113 IonicContact OD1-NE2 3.7Å; D47-S135 WeakPolarHBondContact OD2-CB 3.12Å; D47-S135 PolarHBondContact OD2-OG 3.04Å; D47-Q139 VanDerWaalsContact CG-NE2 3.25Å; D47-Q139 PolarHBondContact OD1-NE2 2.94Å
48C97.9Very high97Very high1 Ų133.3 Ų33.31%0.00718%0.18CC..SBendtrans-67.8-24.3-176.8-174.40000113.3F26 D33 L35 M46 L57F26-C48 HydrophobicContact CD2-CB 4.12Å; F26-C48 HydrophobicContact CE2-CB 4.04Å; D33-C48 HydrophobicContact CB-CB 4.26Å; D33-C48 WeakPolarHBondContact O-CB 3.46Å; D33-C48 PolarHBondContact O-N 3.29Å; L35-C48 HydrophobicContact CB-CB 4.16Å; M46-C48 PolarHBondContact O-N 2.89Å; C48-L57 WeakPolarHBondContact O-CB 3.43Å; C48-L57 PolarHBondContact O-N 2.8Å
49Y97.7Very high96.9Very high21 Ų2136.2 Ų36.28%0.08220%0.199CC..BIsolated β-bridgetrans-110.1126.6-171.7-53.9-84.5000111.8D33 D47 Y51 G54 G55 Q110 R147D33-Y49 HydrophobicContact CB-CD2 4.14Å; D33-Y49 HydrophobicContact CB-CE2 3.42Å; D33-Y49 VanDerWaalsContact CB-CE2 3.42Å; D33-Y49 WeakPolarHBondContact OD2-CE2 3.36Å; D33-Y49 PolarHBondContact OD2-OH 2.82Å; D47-Y49 PolarHBondContact O-N 3.37Å; Y49-Y51 PolarHBondContact O-N 2.9Å; Y49-G54 WeakPolarHBondContact CD1-O 3.16Å; Y49-G55 WeakPolarHBondContact CA-O 3.27Å; Y49-Q110 PolarHBondContact O-NE2 3.39Å; Y49-Q110 PolarHBondContact O-OE1 3.4Å; Y49-R147 VanDerWaalsContact CD1-CD 3.41Å; Y49-R147 VanDerWaalsContact CD2-CZ 3.48Å; Y49-R147 VanDerWaalsContact CG-CD 3.48Å
50C97.7Very high96.8Very high0 Ų033.8 Ų33.80%019%0.188CC..  trans-55.8128.6-177.2-177.30000111.8H52 A53 G54 G55 L57 C73 Y138C50-H52 PolarHBondContact O-N 2.97Å; C50-A53 PolarHBondContact O-N 3.46Å; C50-G54 WeakPolarHBondContact O-CA 3.36Å; C50-G54 PolarHBondContact O-N 2.86Å; C50-G55 VanDerWaalsContact CB-O 3.32Å; C50-G55 WeakPolarHBondContact CB-O 3.14Å; C50-G55 PolarHBondContact N-O 3.32Å; C50-L57 HydrophobicContact CB-CD2 3.7Å; C50-L57 HydrophobicContact CB-CG 4.16Å; C50-C73 HydrophobicContact CB-CB 4.23Å; C50-Y138 WeakPolarHBondContact O-CD2 3.42Å
51Y97.3Very high96.9Very high18 Ų1832 Ų327%0.07118%0.183CC..THydrogen-bonded Turntrans-56.9-17.6177.382.2-92.4000115.3Y49 Y78 I80 K109 D134 Y138Y49-Y51 PolarHBondContact O-N 2.9Å; Y51-Y78 AromaticContact CE1-CD1 3.95Å; Y51-Y78 HydrophobicContact CE1-CD1 3.95Å; Y51-Y78 HydrophobicContact CE2-CD1 4.3Å; Y51-Y78 HydrophobicContact CE2-CE1 4.26Å; Y51-Y78 AromaticContact CZ-CD1 3.56Å; Y51-Y78 AromaticContact CZ-CE1 3.89Å; Y51-Y78 VanDerWaalsContact OH-CD1 3.23Å; Y51-Y78 WeakPolarHBondContact OH-CD1 3.49Å; Y51-Y78 WeakPolarHBondContact OH-CE1 3.44Å; Y51-I80 HydrophobicContact CD1-CD1 3.78Å; Y51-I80 HydrophobicContact CD1-CG1 4.1Å; Y51-I80 HydrophobicContact CE1-CD1 4.03Å; Y51-I80 HydrophobicContact CE1-CG1 3.89Å; Y51-K109 WeakPolarHBondContact CB-O 3.49Å; Y51-K109 HydrophobicContact CD1-CB 3.65Å; Y51-K109 HydrophobicContact CD2-CB 3.74Å; Y51-K109 HydrophobicContact CD2-CD 4.15Å; Y51-K109 HydrophobicContact CD2-CG 4.26Å; Y51-K109 HydrophobicContact CE1-CB 3.64Å; Y51-K109 HydrophobicContact CE1-CG 4.4Å; Y51-K109 HydrophobicContact CE2-CB 3.73Å; Y51-K109 HydrophobicContact CE2-CD 3.97Å; Y51-K109 HydrophobicContact CE2-CG 3.88Å; Y51-K109 HydrophobicContact CG-CB 3.68Å; Y51-D134 HydrophobicContact CD2-CB 3.97Å; Y51-D134 HydrophobicContact CG-CB 4.36Å; Y51-Y138 WeakPolarHBondContact O-CE2 3.31Å
52H95.4Very high97Very high70 Ų7031 Ų3132%0.32417%0.165SC..THydrogen-bonded Turntrans-73-47.7-178.8177-121000112.5C50 H76 Y78 Y138C50-H52 PolarHBondContact O-N 2.97Å; H52-H76 AromaticContact CE1-CG 3.76Å; H52-H76 AromaticContact CE1-ND1 3.86Å; H52-H76 AromaticContact ND1-CG 3.47Å; H52-H76 AromaticContact ND1-ND1 3.27Å; H52-H76 PolarHBondContact ND1-ND1 3.3Å; H52-Y78 HydrophobicContact CB-CD1 3.98Å; H52-Y78 HydrophobicContact CB-CD2 4.1Å; H52-Y78 HydrophobicContact CB-CE1 4.03Å; H52-Y78 HydrophobicContact CB-CE2 4.15Å; H52-Y78 HydrophobicContact CB-CG 4.01Å; H52-Y78 AromaticContact CD2-CE1 3.7Å; H52-Y78 AromaticContact CD2-CE2 3.43Å; H52-Y78 VanDerWaalsContact CD2-CE2 3.43Å; H52-Y78 WeakPolarHBondContact CD2-CE2 3.36Å; H52-Y78 AromaticContact CD2-CZ 3.11Å; H52-Y78 PolarHBondContact CD2-OH 2.83Å; H52-Y78 AromaticContact CE1-CE2 3.56Å; H52-Y78 AromaticContact CG-CD2 3.81Å; H52-Y78 AromaticContact CG-CE1 3.94Å; H52-Y78 AromaticContact CG-CE2 3.44Å; H52-Y78 VanDerWaalsContact CG-CE2 3.44Å; H52-Y78 AromaticContact CG-CZ 3.52Å; H52-Y78 AromaticContact ND1-CD2 3.88Å; H52-Y78 AromaticContact ND1-CE2 3.54Å; H52-Y78 AromaticContact NE2-CE2 3.45Å; H52-Y78 WeakPolarHBondContact NE2-CE2 3.38Å; H52-Y78 AromaticContact NE2-CZ 3.43Å; H52-Y78 PolarHBondContact NE2-OH 3.46Å; H52-Y78 VanDerWaalsContact NE2-OH 3.1Å; H52-Y138 PolarHBondContact O-OH 3.17Å
53A94.4Very high97Very high33 Ų3332.1 Ų32.127%0.27317%0.165SC..THydrogen-bonded Turntrans-157.117.9-167.500000113C50 G55 Y138C50-A53 PolarHBondContact O-N 3.46Å; A53-G55 PolarHBondContact O-N 2.92Å; A53-G55 VanDerWaalsContact O-N 3.17Å; A53-Y138 VanDerWaalsContact CA-OH 3.24Å; A53-Y138 WeakPolarHBondContact CA-OH 3.36Å
54G94.9Very high97Very high6 Ų637.4 Ų37.46%0.06219%0.191CC..  trans70.99.817600000116Y49 C50 Y138Y49-G54 WeakPolarHBondContact CD1-O 3.16Å; C50-G54 WeakPolarHBondContact O-CA 3.36Å; C50-G54 PolarHBondContact O-N 2.86Å; G54-Y138 VanDerWaalsContact N-CZ 3.28Å
55G94.7Very high96.9Very high2 Ų236 Ų362%0.02119%0.186CC..  trans-64139.9174.500000112Y49 C50 A53 L57Y49-G55 WeakPolarHBondContact CA-O 3.27Å; C50-G55 VanDerWaalsContact CB-O 3.32Å; C50-G55 WeakPolarHBondContact CB-O 3.14Å; C50-G55 PolarHBondContact N-O 3.32Å; A53-G55 PolarHBondContact O-N 2.92Å; A53-G55 VanDerWaalsContact O-N 3.17Å; G55-L57 PolarHBondContact O-N 2.78Å
56T96Very high96.7Very high41 Ų4140.9 Ų40.925%0.25221%0.212SC..BIsolated β-bridgetrans-61.9134.6176.6179.70000111.1E58 P74T56-E58 WeakPolarHBondContact OG1-CB 3.2Å; T56-E58 PolarHBondContact OG1-N 3.14Å; T56-P74 WeakPolarHBondContact O-CD 3.38Å
57L97.6Very high96.6Very high0 Ų043.9 Ų43.90%024%0.243CC..  trans-87.9-8.5174.7-64.7178.1000112.3L35 M46 C48 C50 G55 N59 G60 I71 C73 I80 Q110L35-L57 HydrophobicContact CD2-CB 3.88Å; M46-L57 HydrophobicContact SD-CD1 4.45Å; C48-L57 WeakPolarHBondContact O-CB 3.43Å; C48-L57 PolarHBondContact O-N 2.8Å; C50-L57 HydrophobicContact CB-CD2 3.7Å; C50-L57 HydrophobicContact CB-CG 4.16Å; G55-L57 PolarHBondContact O-N 2.78Å; L57-N59 PolarHBondContact O-N 3.24Å; L57-N59 VanDerWaalsContact O-N 3.09Å; L57-G60 PolarHBondContact O-N 2.85Å; L57-I71 HydrophobicContact CB-CD1 4.07Å; L57-I71 HydrophobicContact CD1-CG2 4.33Å; L57-I71 VanDerWaalsContact O-CD1 3.27Å; L57-I71 WeakPolarHBondContact O-CD1 3.21Å; L57-C73 HydrophobicContact CD2-CB 3.82Å; L57-I80 HydrophobicContact CD1-CD1 4.04Å; L57-I80 HydrophobicContact CD2-CD1 4.13Å; L57-Q110 HydrophobicContact CD1-CG 4.29Å
58E96.2Very high96.6Very high72 Ų7247.2 Ų47.234%0.33626%0.257SS..THydrogen-bonded Turntrans-52.2-38.6-172.7-174.3170.2-15600113.5R24 L35 T56R24-E58 WeakPolarHBondContact CD-O 3.36Å; R24-E58 PolarHBondContact NH1-O 2.92Å; L35-E58 HydrophobicContact CD1-CB 4.29Å; L35-E58 HydrophobicContact CD1-CG 4.26Å; T56-E58 WeakPolarHBondContact OG1-CB 3.2Å; T56-E58 PolarHBondContact OG1-N 3.14Å
59N94.9Very high96.6Very high121 Ų12148.5 Ų48.565%0.64726%0.264SS*.THydrogen-bonded Turntrans-100.714.1-179.9-61.5-27.7000113.4L57 P74L57-N59 PolarHBondContact O-N 3.24Å; L57-N59 VanDerWaalsContact O-N 3.09Å; N59-P74 HydrophobicContact CB-CG 4.34Å
60G97.3Very high96.7Very high0 Ų047.5 Ų47.50%026%0.26CS..  trans-74.5136.6-178.700000112.7R24 L57 I72R24-G60 PolarHBondContact NH1-O 2.91Å; R24-G60 PolarHBondContact NH2-O 2.7Å; L57-G60 PolarHBondContact O-N 2.85Å; G60-I72 CarbonylContact C-O 3.56Å; G60-I72 WeakPolarHBondContact CA-O 3.37Å
61D97.8Very high96.7Very high98 Ų9847.5 Ų47.552%0.52426%0.26SS..EExtended strand (participates in β ladder)trans-64154.3175.5-64.5-48.8000111.2I71 I72D61-I71 CarbonylContact O-C 3.58Å; D61-I71 WeakPolarHBondContact O-CA 3.44Å; D61-I72 HydrophobicContact CB-CB 4.46Å; D61-I72 HydrophobicContact CB-CG1 4.46Å; D61-I72 PolarHBondContact O-N 2.88Å
62I98.4Very high96.8Very high31 Ų3147 Ų4716%0.15926%0.258CS..EExtended strand (participates in β ladder)trans-112119.9172.8-65.5165.6000107.8I37 H39 L69 C70 I71 L82I37-I62 HydrophobicContact CG2-CD1 3.59Å; H39-I62 HydrophobicContact CB-CD1 4.21Å; I62-L69 HydrophobicContact CG2-CD2 4.33Å; I62-C70 VanDerWaalsContact CA-O 3.31Å; I62-C70 WeakPolarHBondContact CA-O 3.43Å; I62-I71 HydrophobicContact CG1-CB 4.49Å; I62-L82 HydrophobicContact CD1-CD1 4.16Å; I62-L82 HydrophobicContact CG1-CD1 4.41Å; I62-L82 HydrophobicContact CG2-CD1 3.96Å
63E98Very high96.9Very high92 Ų9243.7 Ų43.743%0.4324%0.243SC..EExtended strand (participates in β ladder)trans-127.5149.8-177.4-66.5177.8-15200110.5I65 C70 I72E63-I65 HydrophobicContact CB-CD1 4.37Å; E63-I65 HydrophobicContact CB-CG1 4.24Å; E63-C70 PolarHBondContact N-O 2.91Å; E63-C70 PolarHBondContact O-N 2.85Å; E63-I72 HydrophobicContact CB-CD1 4.37Å; E63-I72 HydrophobicContact CB-CG1 4.33Å; E63-I72 HydrophobicContact CG-CG1 4.05Å
64E97.8Very high97Very high140 Ų14044 Ų4465%0.65424%0.242SC*.EExtended strand (participates in β ladder)trans-87.3117.2170-168-177.713000110.1L69E64-L69 HydrophobicContact CB-CD2 4.46Å
65I96.7Very high96.9Very high9 Ų947.1 Ų47.15%0.04625%0.254CS..EExtended strand (participates in β ladder)trans-129.2120.3-177-62.8178.4000108.7E63 G67 K68 C70 I72 K79 L88 W103E63-I65 HydrophobicContact CB-CD1 4.37Å; E63-I65 HydrophobicContact CB-CG1 4.24Å; I65-G67 PolarHBondContact O-N 3.4Å; I65-K68 PolarHBondContact N-O 2.8Å; I65-K68 PolarHBondContact O-N 3.36Å; I65-C70 HydrophobicContact CD1-CB 4.29Å; I65-I72 HydrophobicContact CD1-CD1 3.8Å; I65-K79 HydrophobicContact CD1-CB 4.17Å; I65-K79 HydrophobicContact CD1-CD 3.74Å; I65-K79 HydrophobicContact CD1-CG 3.56Å; I65-L88 HydrophobicContact CB-CD1 4.49Å; I65-L88 HydrophobicContact CG2-CD1 4.11Å; I65-W103 HydrophobicContact CD1-CH2 4.42Å; I65-W103 HydrophobicContact CG2-CD2 3.6Å; I65-W103 VanDerWaalsContact CG2-CE2 3.44Å; I65-W103 HydrophobicContact CG2-CE3 3.73Å; I65-W103 HydrophobicContact CG2-CG 4.33Å; I65-W103 HydrophobicContact CG2-CH2 3.6Å; I65-W103 HydrophobicContact CG2-CZ2 3.46Å; I65-W103 VanDerWaalsContact CG2-CZ2 3.46Å; I65-W103 HydrophobicContact CG2-CZ3 3.74Å
66N94.8Very high96.8Very high104 Ų10451.5 Ų51.556%0.55627%0.274SS*.THydrogen-bonded Turntrans5539.8180-161.550.9000112.6K68 W103N66-K68 PolarHBondContact O-N 3.48Å; N66-W103 HydrophobicContact CB-CB 3.81Å; N66-W103 HydrophobicContact CB-CG 3.79Å
67G95.9Very high96.8Very high63 Ų6355 Ų5565%0.64929%0.286SS*.THydrogen-bonded Turntrans70.412.2-176.800000114.7I65I65-G67 PolarHBondContact O-N 3.4Å
68K97.6Very high96.8Very high69 Ų6957.9 Ų57.930%0.330%0.297SS..EExtended strand (participates in β ladder)trans-119.4133.2177.9-60.1-166.4176.4-157.50110.3I65 N66 C70 T81 E84 E86I65-K68 PolarHBondContact N-O 2.8Å; I65-K68 PolarHBondContact O-N 3.36Å; N66-K68 PolarHBondContact O-N 3.48Å; K68-C70 PolarHBondContact O-N 2.92Å; K68-T81 HydrophobicContact CB-CG2 3.96Å; K68-T81 HydrophobicContact CD-CG2 3.68Å; K68-T81 HydrophobicContact CG-CG2 4.46Å; K68-E84 IonicContact NZ-OE2 3.92Å; K68-E84 PolarHBondContact NZ-OE2 2.6Å; K68-E86 IonicContact NZ-OE1 3.86Å; K68-E86 PolarHBondContact NZ-OE1 3.44Å
69L98.3Very high96.9Very high29 Ų2956.9 Ų56.915%0.15229%0.291CS..EExtended strand (participates in β ladder)trans-69.6122.9170.1-69.3169.7000109.5I62 E64 T81 L82I62-L69 HydrophobicContact CG2-CD2 4.33Å; E64-L69 HydrophobicContact CB-CD2 4.46Å; L69-T81 CarbonylContact O-C 3.54Å; L69-T81 WeakPolarHBondContact O-CA 3.19Å; L69-L82 HydrophobicContact CB-CD1 4.06Å; L69-L82 HydrophobicContact CB-CG 4.4Å; L69-L82 PolarHBondContact O-N 2.91Å
70C98.6Very high97.1Very high0 Ų051.1 Ų51.10%026%0.261CS..EExtended strand (participates in β ladder)trans-123.2133.7-177.9-71.60000111.1I62 E63 I65 K68 I72 K79 I80 L88I62-C70 VanDerWaalsContact CA-O 3.31Å; I62-C70 WeakPolarHBondContact CA-O 3.43Å; E63-C70 PolarHBondContact N-O 2.91Å; E63-C70 PolarHBondContact O-N 2.85Å; I65-C70 HydrophobicContact CD1-CB 4.29Å; K68-C70 PolarHBondContact O-N 2.92Å; C70-I72 HydrophobicContact CB-CD1 4.32Å; C70-K79 HydrophobicContact CB-CB 4.4Å; C70-I80 CarbonylContact C-O 3.55Å; C70-I80 WeakPolarHBondContact CA-O 3.44Å; C70-L88 VanDerWaalsContact SG-CD1 3.6Å
71I98.6Very high97.2Very high0 Ų051.2 Ų51.20%026%0.261CS..EExtended strand (participates in β ladder)trans-80.4132.6160.9-168.3155.6000110L35 I37 M46 L57 D61 I62 I80 L82L35-I71 HydrophobicContact CD2-CD1 4.13Å; I37-I71 HydrophobicContact CD1-CD1 3.74Å; M46-I71 HydrophobicContact CE-CG2 4.4Å; M46-I71 HydrophobicContact SD-CG2 3.88Å; L57-I71 HydrophobicContact CB-CD1 4.07Å; L57-I71 HydrophobicContact CD1-CG2 4.33Å; L57-I71 VanDerWaalsContact O-CD1 3.27Å; L57-I71 WeakPolarHBondContact O-CD1 3.21Å; D61-I71 CarbonylContact O-C 3.58Å; D61-I71 WeakPolarHBondContact O-CA 3.44Å; I62-I71 HydrophobicContact CG1-CB 4.49Å; I71-I80 HydrophobicContact CG2-CB 3.9Å; I71-I80 HydrophobicContact CG2-CG2 4.42Å; I71-I80 PolarHBondContact N-O 2.91Å; I71-I80 PolarHBondContact O-N 2.81Å; I71-L82 HydrophobicContact CB-CD2 3.81Å; I71-L82 HydrophobicContact CG2-CD2 4.02Å
72I98.4Very high97.2Very high7 Ų746.7 Ų46.74%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-98.5113.3-179.9-48.4-56.1000108G60 D61 E63 I65 C70 P74 K77 Y78 K79G60-I72 CarbonylContact C-O 3.56Å; G60-I72 WeakPolarHBondContact CA-O 3.37Å; D61-I72 HydrophobicContact CB-CB 4.46Å; D61-I72 HydrophobicContact CB-CG1 4.46Å; D61-I72 PolarHBondContact O-N 2.88Å; E63-I72 HydrophobicContact CB-CD1 4.37Å; E63-I72 HydrophobicContact CB-CG1 4.33Å; E63-I72 HydrophobicContact CG-CG1 4.05Å; I65-I72 HydrophobicContact CD1-CD1 3.8Å; C70-I72 HydrophobicContact CB-CD1 4.32Å; I72-P74 WeakPolarHBondContact O-CD 3.39Å; I72-P74 VanDerWaalsContact O-N 3.17Å; I72-K77 HydrophobicContact CG2-CB 4.14Å; I72-K77 HydrophobicContact CG2-CD 4.15Å; I72-Y78 WeakPolarHBondContact CA-O 3.18Å; I72-K79 HydrophobicContact CD1-CB 4.13Å; I72-K79 HydrophobicContact CD1-CG 3.44Å; I72-K79 VanDerWaalsContact CD1-CG 3.44Å
73C97.8Very high97.2Very high0 Ų048.5 Ų48.50%026%0.257CS..  trans-55.6122.6177.2174.60000110.3C50 L57 K75 K77 Y78C50-C73 HydrophobicContact CB-CB 4.23Å; L57-C73 HydrophobicContact CD2-CB 3.82Å; C73-K75 PolarHBondContact O-N 3.32Å; C73-K77 WeakPolarHBondContact O-CA 3.38Å; C73-K77 PolarHBondContact O-N 3.1Å; C73-Y78 PolarHBondContact N-O 3.21Å
74P96.3Very high97.1Very high41 Ų4148.6 Ų48.627%0.26626%0.257SS..THydrogen-bonded Turntrans-56-39.3-177.8-26.732.6000113.3T56 N59 I72 K77T56-P74 WeakPolarHBondContact O-CD 3.38Å; N59-P74 HydrophobicContact CB-CG 4.34Å; I72-P74 WeakPolarHBondContact O-CD 3.39Å; I72-P74 VanDerWaalsContact O-N 3.17Å; P74-K77 WeakPolarHBondContact O-CE 3.36Å; P74-K77 PolarHBondContact O-NZ 3.1Å
75K93.1Very high97.1Very high71 Ų7141.9 Ų41.931%0.30923%0.226SC..THydrogen-bonded Turntrans-70.6-55.4-173.9-65-154.6177.2-158.90112.8C73 A150 D154C73-K75 PolarHBondContact O-N 3.32Å; K75-A150 PolarHBondContact NZ-O 2.81Å; K75-D154 WeakPolarHBondContact CE-OD2 3.16Å; K75-D154 IonicContact NZ-OD2 3.89Å; K75-D154 PolarHBondContact NZ-OD2 3.3Å
76H93Very high97.1Very high94 Ų9442.8 Ų42.844%0.43523%0.23SC..THydrogen-bonded Turntrans-121.98-168.7-55109.4000113.9H52 Y78H52-H76 AromaticContact CE1-CG 3.76Å; H52-H76 AromaticContact CE1-ND1 3.86Å; H52-H76 AromaticContact ND1-CG 3.47Å; H52-H76 AromaticContact ND1-ND1 3.27Å; H52-H76 PolarHBondContact ND1-ND1 3.3Å; H76-Y78 HydrophobicContact CB-CD2 3.82Å; H76-Y78 HydrophobicContact CB-CE2 4.21Å; H76-Y78 PolarHBondContact O-N 2.86Å; H76-Y78 VanDerWaalsContact O-N 3.1Å
77K96.6Very high97.3Very high115 Ų11537.9 Ų37.950%0.520%0.203SC..  trans58.424.2177.1-46.2-53.4-175.7-1680115I72 C73 P74 K79I72-K77 HydrophobicContact CG2-CB 4.14Å; I72-K77 HydrophobicContact CG2-CD 4.15Å; C73-K77 WeakPolarHBondContact O-CA 3.38Å; C73-K77 PolarHBondContact O-N 3.1Å; P74-K77 WeakPolarHBondContact O-CE 3.36Å; P74-K77 PolarHBondContact O-NZ 3.1Å; K77-K79 PolarHBondContact O-NZ 3.29Å
78Y97.6Very high97.4Very high60 Ų6035.4 Ų35.424%0.23518%0.175CC..  trans-63.1135.2170.2-89.8-113.4000110.3Y51 H52 I72 C73 H76Y51-Y78 AromaticContact CE1-CD1 3.95Å; Y51-Y78 HydrophobicContact CE1-CD1 3.95Å; Y51-Y78 HydrophobicContact CE2-CD1 4.3Å; Y51-Y78 HydrophobicContact CE2-CE1 4.26Å; Y51-Y78 AromaticContact CZ-CD1 3.56Å; Y51-Y78 AromaticContact CZ-CE1 3.89Å; Y51-Y78 VanDerWaalsContact OH-CD1 3.23Å; Y51-Y78 WeakPolarHBondContact OH-CD1 3.49Å; Y51-Y78 WeakPolarHBondContact OH-CE1 3.44Å; H52-Y78 HydrophobicContact CB-CD1 3.98Å; H52-Y78 HydrophobicContact CB-CD2 4.1Å; H52-Y78 HydrophobicContact CB-CE1 4.03Å; H52-Y78 HydrophobicContact CB-CE2 4.15Å; H52-Y78 HydrophobicContact CB-CG 4.01Å; H52-Y78 AromaticContact CD2-CE1 3.7Å; H52-Y78 AromaticContact CD2-CE2 3.43Å; H52-Y78 VanDerWaalsContact CD2-CE2 3.43Å; H52-Y78 WeakPolarHBondContact CD2-CE2 3.36Å; H52-Y78 AromaticContact CD2-CZ 3.11Å; H52-Y78 PolarHBondContact CD2-OH 2.83Å; H52-Y78 AromaticContact CE1-CE2 3.56Å; H52-Y78 AromaticContact CG-CD2 3.81Å; H52-Y78 AromaticContact CG-CE1 3.94Å; H52-Y78 AromaticContact CG-CE2 3.44Å; H52-Y78 VanDerWaalsContact CG-CE2 3.44Å; H52-Y78 AromaticContact CG-CZ 3.52Å; H52-Y78 AromaticContact ND1-CD2 3.88Å; H52-Y78 AromaticContact ND1-CE2 3.54Å; H52-Y78 AromaticContact NE2-CE2 3.45Å; H52-Y78 WeakPolarHBondContact NE2-CE2 3.38Å; H52-Y78 AromaticContact NE2-CZ 3.43Å; H52-Y78 PolarHBondContact NE2-OH 3.46Å; H52-Y78 VanDerWaalsContact NE2-OH 3.1Å; I72-Y78 WeakPolarHBondContact CA-O 3.18Å; C73-Y78 PolarHBondContact N-O 3.21Å; H76-Y78 HydrophobicContact CB-CD2 3.82Å; H76-Y78 HydrophobicContact CB-CE2 4.21Å; H76-Y78 PolarHBondContact O-N 2.86Å; H76-Y78 VanDerWaalsContact O-N 3.1Å
79K98.4Very high97.3Very high51 Ų5136.8 Ų36.822%0.22218%0.179CC..EExtended strand (participates in β ladder)trans-101.9119-174.4-65.8141.9179.9720108.6I65 C70 I72 K77 G87 L88 W103I65-K79 HydrophobicContact CD1-CB 4.17Å; I65-K79 HydrophobicContact CD1-CD 3.74Å; I65-K79 HydrophobicContact CD1-CG 3.56Å; C70-K79 HydrophobicContact CB-CB 4.4Å; I72-K79 HydrophobicContact CD1-CB 4.13Å; I72-K79 HydrophobicContact CD1-CG 3.44Å; I72-K79 VanDerWaalsContact CD1-CG 3.44Å; K77-K79 PolarHBondContact O-NZ 3.29Å; K79-G87 CarbonylContact O-C 3.58Å; K79-G87 WeakPolarHBondContact O-CA 3.28Å; K79-L88 HydrophobicContact CB-CB 4.13Å; K79-L88 PolarHBondContact O-N 3.06Å; K79-W103 HydrophobicContact CD-CH2 3.75Å; K79-W103 HydrophobicContact CD-CZ3 3.62Å
80I98.7Very high97.1Very high0 Ų043 Ų430%020%0.201CC..EExtended strand (participates in β ladder)trans-123.6120.3-174.1-59.7170.7000108.4M46 Y51 L57 C70 I71 L82 E86 Q110M46-I80 HydrophobicContact CE-CG2 3.65Å; Y51-I80 HydrophobicContact CD1-CD1 3.78Å; Y51-I80 HydrophobicContact CD1-CG1 4.1Å; Y51-I80 HydrophobicContact CE1-CD1 4.03Å; Y51-I80 HydrophobicContact CE1-CG1 3.89Å; L57-I80 HydrophobicContact CD1-CD1 4.04Å; L57-I80 HydrophobicContact CD2-CD1 4.13Å; C70-I80 CarbonylContact C-O 3.55Å; C70-I80 WeakPolarHBondContact CA-O 3.44Å; I71-I80 HydrophobicContact CG2-CB 3.9Å; I71-I80 HydrophobicContact CG2-CG2 4.42Å; I71-I80 PolarHBondContact N-O 2.91Å; I71-I80 PolarHBondContact O-N 2.81Å; I80-L82 PolarHBondContact O-N 2.66Å; I80-E86 CarbonylContact C-O 3.57Å; I80-E86 VanDerWaalsContact CA-O 3.26Å; I80-E86 WeakPolarHBondContact CA-O 3.46Å; I80-Q110 HydrophobicContact CD1-CB 4.3Å; I80-Q110 HydrophobicContact CD1-CG 4.36Å; I80-Q110 HydrophobicContact CG2-CB 3.34Å; I80-Q110 HydrophobicContact CG2-CG 3.91Å
81T98.6Very high96.8Very high2 Ų243.6 Ų43.61%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-64135179.266.90000110.7K68 L69 G85 E86 L88K68-T81 HydrophobicContact CB-CG2 3.96Å; K68-T81 HydrophobicContact CD-CG2 3.68Å; K68-T81 HydrophobicContact CG-CG2 4.46Å; L69-T81 CarbonylContact O-C 3.54Å; L69-T81 WeakPolarHBondContact O-CA 3.19Å; T81-G85 WeakPolarHBondContact O-CA 3.36Å; T81-G85 PolarHBondContact O-N 2.79Å; T81-G85 PolarHBondContact OG1-N 2.79Å; T81-G85 VanDerWaalsContact OG1-N 3.15Å; T81-E86 HydrophobicContact CG2-CB 3.95Å; T81-E86 PolarHBondContact N-O 2.77Å; T81-E86 PolarHBondContact OG1-N 3.2Å; T81-L88 HydrophobicContact CG2-CD1 3.97Å; T81-L88 HydrophobicContact CG2-CD2 4.27Å; T81-L88 HydrophobicContact CG2-CG 3.97Å
82L98.4Very high96.5Very high2 Ų251.5 Ų51.51%0.0124%0.237CC..THydrogen-bonded Turntrans-68.3-37.9-179.1-68.9-176.9000112.2I37 Y44 M46 I62 L69 I71 I80I37-L82 HydrophobicContact CD1-CD2 3.66Å; Y44-L82 HydrophobicContact CD1-CB 3.69Å; Y44-L82 WeakPolarHBondContact CD1-O 3.35Å; Y44-L82 HydrophobicContact CD2-CB 4.18Å; Y44-L82 HydrophobicContact CD2-CD1 3.92Å; Y44-L82 HydrophobicContact CE1-CB 3.91Å; Y44-L82 HydrophobicContact CE2-CB 4.38Å; Y44-L82 HydrophobicContact CE2-CD1 3.96Å; Y44-L82 HydrophobicContact CG-CB 3.84Å; Y44-L82 HydrophobicContact CG-CD1 4.38Å; M46-L82 HydrophobicContact SD-CD2 4.14Å; I62-L82 HydrophobicContact CD1-CD1 4.16Å; I62-L82 HydrophobicContact CG1-CD1 4.41Å; I62-L82 HydrophobicContact CG2-CD1 3.96Å; L69-L82 HydrophobicContact CB-CD1 4.06Å; L69-L82 HydrophobicContact CB-CG 4.4Å; L69-L82 PolarHBondContact O-N 2.91Å; I71-L82 HydrophobicContact CB-CD2 3.81Å; I71-L82 HydrophobicContact CG2-CD2 4.02Å; I80-L82 PolarHBondContact O-N 2.66Å
83A97.2Very high95.9Very high70 Ų7054 Ų5458%0.57925%0.251SS*.THydrogen-bonded Turntrans-74.5-41.1-174.600000113Y44Y44-A83 HydrophobicContact CE1-CB 4.35Å
84E96.4Very high95.3Very high93 Ų9359.4 Ų59.444%0.43529%0.286SS..THydrogen-bonded Turntrans-121-14.4-168.9-61.7176.9135.600112.8K68 E86K68-E84 IonicContact NZ-OE2 3.92Å; K68-E84 PolarHBondContact NZ-OE2 2.6Å; E84-E86 VanDerWaalsContact C-N 3.33Å; E84-E86 HydrophobicContact CB-CG 4.1Å; E84-E86 VanDerWaalsContact OE2-OE1 3.09Å
85G97.7Very high94.9Very high0 Ų065.7 Ų65.70%031%0.312CS..  trans73.123.7-17800000114.1T81 K109 Q110T81-G85 WeakPolarHBondContact O-CA 3.36Å; T81-G85 PolarHBondContact O-N 2.79Å; T81-G85 PolarHBondContact OG1-N 2.79Å; T81-G85 VanDerWaalsContact OG1-N 3.15Å; G85-K109 PolarHBondContact O-N 3.3Å; G85-Q110 VanDerWaalsContact CA-O 3.29Å; G85-Q110 WeakPolarHBondContact CA-O 3.49Å; G85-Q110 PolarHBondContact O-N 3.44Å
86E98.1Very high94.8Very high28 Ų2865 Ų6513%0.13131%0.31CS..EExtended strand (participates in β ladder)trans-73.9137.5178.5-67.1-176.1-72.700112.3K68 I80 T81 E84 L88 S105 G107 I108K68-E86 IonicContact NZ-OE1 3.86Å; K68-E86 PolarHBondContact NZ-OE1 3.44Å; I80-E86 CarbonylContact C-O 3.57Å; I80-E86 VanDerWaalsContact CA-O 3.26Å; I80-E86 WeakPolarHBondContact CA-O 3.46Å; T81-E86 HydrophobicContact CG2-CB 3.95Å; T81-E86 PolarHBondContact N-O 2.77Å; T81-E86 PolarHBondContact OG1-N 3.2Å; E84-E86 VanDerWaalsContact C-N 3.33Å; E84-E86 HydrophobicContact CB-CG 4.1Å; E84-E86 VanDerWaalsContact OE2-OE1 3.09Å; E86-L88 HydrophobicContact CB-CD2 4.43Å; E86-L88 PolarHBondContact O-N 3.36Å; E86-S105 VanDerWaalsContact OE2-CB 3.29Å; E86-S105 WeakPolarHBondContact OE2-CB 3.45Å; E86-S105 PolarHBondContact OE2-OG 3.16Å; E86-G107 VanDerWaalsContact CA-O 3.26Å; E86-G107 WeakPolarHBondContact CA-O 3.36Å; E86-I108 HydrophobicContact CG-CG1 4.38Å
87G98.1Very high94.7Very high0 Ų069.8 Ų69.80%033%0.329CS..EExtended strand (participates in β ladder)trans-84.5107.9172.500000111.7K79 K106 G107K79-G87 CarbonylContact O-C 3.58Å; K79-G87 WeakPolarHBondContact O-CA 3.28Å; G87-K106 WeakPolarHBondContact O-CB 3.37Å; G87-K106 PolarHBondContact O-N 2.89Å; G87-G107 PolarHBondContact N-O 3.27Å; G87-G107 VanDerWaalsContact N-O 3.12Å
88L97.7Very high94.2Very high11 Ų1169.2 Ų69.26%0.05834%0.337CS..EExtended strand (participates in β ladder)trans-89.1144.3178.2-57.6-171.5000112.2I65 C70 K79 T81 E86 W103 Y104I65-L88 HydrophobicContact CB-CD1 4.49Å; I65-L88 HydrophobicContact CG2-CD1 4.11Å; C70-L88 VanDerWaalsContact SG-CD1 3.6Å; K79-L88 HydrophobicContact CB-CB 4.13Å; K79-L88 PolarHBondContact O-N 3.06Å; T81-L88 HydrophobicContact CG2-CD1 3.97Å; T81-L88 HydrophobicContact CG2-CD2 4.27Å; T81-L88 HydrophobicContact CG2-CG 3.97Å; E86-L88 HydrophobicContact CB-CD2 4.43Å; E86-L88 PolarHBondContact O-N 3.36Å; L88-W103 HydrophobicContact CB-CE3 4.36Å; L88-Y104 WeakPolarHBondContact CA-O 3.39Å
89Y95.8Very high93.7Very high99 Ų9970.4 Ų70.439%0.38835%0.352SS..EExtended strand (participates in β ladder)trans-141150.1172.572.7-77.5000111.7Y104 K106Y89-Y104 WeakPolarHBondContact CD1-O 3.36Å; Y89-Y104 HydrophobicContact CE1-CG 4.37Å; Y89-Y104 HydrophobicContact CE2-CD2 4.1Å; Y89-Y104 HydrophobicContact CE2-CG 4.28Å; Y89-Y104 AromaticContact CZ-CG 3.94Å; Y89-Y104 PolarHBondContact N-O 2.95Å; Y89-Y104 PolarHBondContact O-N 2.6Å; Y89-K106 HydrophobicContact CD1-CD 4.36Å; Y89-K106 HydrophobicContact CD1-CG 3.65Å; Y89-K106 HydrophobicContact CE1-CG 3.89Å
90R94.2Very high93.4Very high158 Ų15870.5 Ų70.560%0.59636%0.357SS*.EExtended strand (participates in β ladder)trans-95.1123.5173.8-154.3175.486.4178.65.9108.6F101 R102 W103R90-F101 HydrophobicContact CG-CB 4.27Å; R90-F101 HydrophobicContact CG-CD1 4.3Å; R90-R102 WeakPolarHBondContact CA-O 3.23Å; R90-W103 HydrophobicContact CB-CD2 4.44Å; R90-W103 HydrophobicContact CB-CE3 4.07Å; R90-W103 HydrophobicContact CB-CH2 4.09Å; R90-W103 HydrophobicContact CB-CZ2 4.45Å; R90-W103 HydrophobicContact CB-CZ3 3.88Å; R90-W103 HydrophobicContact CG-CD2 4.4Å; R90-W103 HydrophobicContact CG-CZ2 4.46Å
91G92.3Very high93Very high14 Ų1476.2 Ų76.214%0.14438%0.382CS..EExtended strand (participates in β ladder)trans-139.1171-17600000112.2F101 R102G91-F101 WeakPolarHBondContact O-CA 3.29Å; G91-R102 PolarHBondContact N-O 2.85Å; G91-R102 PolarHBondContact O-N 2.93Å
92R92.6Very high92.8Very high165 Ų16581.9 Ų81.962%0.62340%0.403SS*.EExtended strand (participates in β ladder)trans-117.5143171.763.8-178.3179.9-178.6-0.4109P94 F101R92-P94 WeakPolarHBondContact O-CD 3.26Å; R92-F101 HydrophobicContact CB-CE1 4.49Å
93N85.3Confident92.6Very high61 Ų6185.6 Ų85.633%0.32642%0.417SS..  trans-80.6117.2166.9-176.9-8.8000108.5Q95 E96N93-Q95 PolarHBondContact O-N 2.93Å; N93-Q95 VanDerWaalsContact O-N 3.13Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.26Å; N93-Q95 PolarHBondContact OD1-N 3.25Å; N93-E96 HydrophobicContact CB-CB 4.1Å; N93-E96 PolarHBondContact O-N 2.98Å
94P86.3Confident92.5Very high113 Ų11385.7 Ų85.773%0.73440%0.403SS*.THydrogen-bonded Turntrans-61.4-20.5-179.7-22.734.4000114.1R92R92-P94 WeakPolarHBondContact O-CD 3.26Å
95Q87.7Confident92.5Very high173 Ų17383.7 Ų83.781%0.80840%0.399SS*.THydrogen-bonded Turntrans-85.7-17.6-178.8-60.1179.6-9.500113.1N93N93-Q95 PolarHBondContact O-N 2.93Å; N93-Q95 VanDerWaalsContact O-N 3.13Å; N93-Q95 WeakPolarHBondContact OD1-CB 3.26Å; N93-Q95 PolarHBondContact OD1-N 3.25Å
96E91Very high92.4Very high57 Ų5787.9 Ų87.927%0.26642%0.417SS..SBendtrans-85.2128.1-177.7-164.7174.7179.500110.6N93 P98 R102N93-E96 HydrophobicContact CB-CB 4.1Å; N93-E96 PolarHBondContact O-N 2.98Å; E96-P98 CarbonylContact C-O 3.57Å; E96-P98 CarbonylContact O-C 3.51Å; E96-R102 IonicContact OE1-CZ 3.57Å; E96-R102 IonicContact OE1-NE 3.64Å; E96-R102 IonicContact OE1-NH2 2.65Å; E96-R102 PolarHBondContact OE1-NH2 3.47Å; E96-R102 IonicContact OE2-NE 3.92Å; E96-R102 IonicContact OE2-NH2 2.94Å
97K89.4Confident92.4Very high193 Ų19388 Ų8884%0.83943%0.426SS*.SBendtrans-125.4118.1174.8-67.4-177.4-177.7177.60109.1
98P86.9Confident92.3Very high103 Ų10392.8 Ų92.867%0.66945%0.451SS*.SBendcis-71.91602.731.4-36.1000113.1E96 V100E96-P98 CarbonylContact C-O 3.57Å; E96-P98 CarbonylContact O-C 3.51Å; P98-V100 PolarHBondContact O-N 2.89Å
99P87Confident92.3Very high86 Ų8694.4 Ų94.456%0.55846%0.457SS*.  trans-64.5121.3176.8-17.930.7000111.1
100V91.7Very high92.4Very high52 Ų5289.7 Ų89.732%0.31544%0.439SS..  trans-110.2129.2174.8-175.70000109.5P98 R102P98-V100 PolarHBondContact O-N 2.89Å; V100-R102 HydrophobicContact CG1-CG 4.17Å
101F91.3Very high92.5Very high120 Ų12082.9 Ų82.953%0.52641%0.413SS..EExtended strand (participates in β ladder)trans-80.1126.8171.6-78-82.9000110R90 G91 R92R90-F101 HydrophobicContact CG-CB 4.27Å; R90-F101 HydrophobicContact CG-CD1 4.3Å; G91-F101 WeakPolarHBondContact O-CA 3.29Å; R92-F101 HydrophobicContact CB-CE1 4.49Å
102R93.3Very high92.7Very high122 Ų12283.9 Ų83.946%0.4642%0.417SS..EExtended strand (participates in β ladder)trans-128.7158.9176.6-58.8179.1-172.9-94.60.8110R90 G91 E96 V100 Y104R90-R102 WeakPolarHBondContact CA-O 3.23Å; G91-R102 PolarHBondContact N-O 2.85Å; G91-R102 PolarHBondContact O-N 2.93Å; E96-R102 IonicContact OE1-CZ 3.57Å; E96-R102 IonicContact OE1-NE 3.64Å; E96-R102 IonicContact OE1-NH2 2.65Å; E96-R102 PolarHBondContact OE1-NH2 3.47Å; E96-R102 IonicContact OE2-NE 3.92Å; E96-R102 IonicContact OE2-NH2 2.94Å; V100-R102 HydrophobicContact CG1-CG 4.17Å; R102-Y104 HydrophobicContact CB-CD2 4.48Å; R102-Y104 HydrophobicContact CB-CE2 3.74Å; R102-Y104 VanDerWaalsContact O-CD2 3.28Å; R102-Y104 WeakPolarHBondContact O-CD2 3.42Å; R102-Y104 WeakPolarHBondContact O-CE2 3.43Å
103W94.9Very high92.9Very high80 Ų8076.6 Ų76.630%0.30339%0.389SS..EExtended strand (participates in β ladder)trans-84.6136.1169.8-71.3107.6000109.9I65 N66 K79 L88 R90I65-W103 HydrophobicContact CD1-CH2 4.42Å; I65-W103 HydrophobicContact CG2-CD2 3.6Å; I65-W103 VanDerWaalsContact CG2-CE2 3.44Å; I65-W103 HydrophobicContact CG2-CE3 3.73Å; I65-W103 HydrophobicContact CG2-CG 4.33Å; I65-W103 HydrophobicContact CG2-CH2 3.6Å; I65-W103 HydrophobicContact CG2-CZ2 3.46Å; I65-W103 VanDerWaalsContact CG2-CZ2 3.46Å; I65-W103 HydrophobicContact CG2-CZ3 3.74Å; N66-W103 HydrophobicContact CB-CB 3.81Å; N66-W103 HydrophobicContact CB-CG 3.79Å; K79-W103 HydrophobicContact CD-CH2 3.75Å; K79-W103 HydrophobicContact CD-CZ3 3.62Å; L88-W103 HydrophobicContact CB-CE3 4.36Å; R90-W103 HydrophobicContact CB-CD2 4.44Å; R90-W103 HydrophobicContact CB-CE3 4.07Å; R90-W103 HydrophobicContact CB-CH2 4.09Å; R90-W103 HydrophobicContact CB-CZ2 4.45Å; R90-W103 HydrophobicContact CB-CZ3 3.88Å; R90-W103 HydrophobicContact CG-CD2 4.4Å; R90-W103 HydrophobicContact CG-CZ2 4.46Å
104Y94.8Very high93.4Very high72 Ų7276.9 Ų76.928%0.28239%0.393SS..EExtended strand (participates in β ladder)trans-131.4153.4178.9-62.5-86.2000109.6L88 Y89 R102L88-Y104 WeakPolarHBondContact CA-O 3.39Å; Y89-Y104 WeakPolarHBondContact CD1-O 3.36Å; Y89-Y104 HydrophobicContact CE1-CG 4.37Å; Y89-Y104 HydrophobicContact CE2-CD2 4.1Å; Y89-Y104 HydrophobicContact CE2-CG 4.28Å; Y89-Y104 AromaticContact CZ-CG 3.94Å; Y89-Y104 PolarHBondContact N-O 2.95Å; Y89-Y104 PolarHBondContact O-N 2.6Å; R102-Y104 HydrophobicContact CB-CD2 4.48Å; R102-Y104 HydrophobicContact CB-CE2 3.74Å; R102-Y104 VanDerWaalsContact O-CD2 3.28Å; R102-Y104 WeakPolarHBondContact O-CD2 3.42Å; R102-Y104 WeakPolarHBondContact O-CE2 3.43Å
105S96.7Very high94Very high50 Ų5073.2 Ų73.235%0.3537%0.369SS..EExtended strand (participates in β ladder)trans-99.9140.9174.4-179.40000110.7E86 G107E86-S105 VanDerWaalsContact OE2-CB 3.29Å; E86-S105 WeakPolarHBondContact OE2-CB 3.45Å; E86-S105 PolarHBondContact OE2-OG 3.16Å; S105-G107 WeakPolarHBondContact OG-CA 3.5Å; S105-G107 PolarHBondContact OG-N 3.12Å
106K95.9Very high94.4Very high88 Ų8867.2 Ų67.238%0.38334%0.344SS..EExtended strand (participates in β ladder)trans-87.58.7166-65.1179.2176.3179.10111.9G87 Y89 K109G87-K106 WeakPolarHBondContact O-CB 3.37Å; G87-K106 PolarHBondContact O-N 2.89Å; Y89-K106 HydrophobicContact CD1-CD 4.36Å; Y89-K106 HydrophobicContact CD1-CG 3.65Å; Y89-K106 HydrophobicContact CE1-CG 3.89Å; K106-K109 HydrophobicContact CB-CG 4.1Å; K106-K109 WeakPolarHBondContact O-CE 3.32Å
107G96.6Very high94.7Very high31 Ų3169.1 Ų69.132%0.3235%0.353SS..EExtended strand (participates in β ladder)trans77.3-173-167.200000112.2E86 G87 S105 K109E86-G107 VanDerWaalsContact CA-O 3.26Å; E86-G107 WeakPolarHBondContact CA-O 3.36Å; G87-G107 PolarHBondContact N-O 3.27Å; G87-G107 VanDerWaalsContact N-O 3.12Å; S105-G107 WeakPolarHBondContact OG-CA 3.5Å; S105-G107 PolarHBondContact OG-N 3.12Å; G107-K109 WeakPolarHBondContact O-CG 3.2Å; G107-K109 PolarHBondContact O-N 2.88Å
108I96.5Very high95Very high100 Ų10064.1 Ų64.151%0.51333%0.333SS..EExtended strand (participates in β ladder)trans-66.6119.9175.8-60.5172.9000108.9E86 V133E86-I108 HydrophobicContact CG-CG1 4.38Å; I108-V133 HydrophobicContact CG2-CG1 4.23Å; I108-V133 HydrophobicContact CG2-CG2 4.11Å
109K97.4Very high95.3Very high46 Ų4667 Ų6720%0.234%0.343CS..  trans-126.9-28-174.3-70.3-67.3176.2-174.40113.2Y51 G85 K106 G107 V133 D134 S135Y51-K109 WeakPolarHBondContact CB-O 3.49Å; Y51-K109 HydrophobicContact CD1-CB 3.65Å; Y51-K109 HydrophobicContact CD2-CB 3.74Å; Y51-K109 HydrophobicContact CD2-CD 4.15Å; Y51-K109 HydrophobicContact CD2-CG 4.26Å; Y51-K109 HydrophobicContact CE1-CB 3.64Å; Y51-K109 HydrophobicContact CE1-CG 4.4Å; Y51-K109 HydrophobicContact CE2-CB 3.73Å; Y51-K109 HydrophobicContact CE2-CD 3.97Å; Y51-K109 HydrophobicContact CE2-CG 3.88Å; Y51-K109 HydrophobicContact CG-CB 3.68Å; G85-K109 PolarHBondContact O-N 3.3Å; K106-K109 HydrophobicContact CB-CG 4.1Å; K106-K109 WeakPolarHBondContact O-CE 3.32Å; G107-K109 WeakPolarHBondContact O-CG 3.2Å; G107-K109 PolarHBondContact O-N 2.88Å; K109-V133 WeakPolarHBondContact O-CG1 3.44Å; K109-D134 HydrophobicContact CD-CB 4.15Å; K109-D134 VanDerWaalsContact CD-CG 3.45Å; K109-D134 WeakPolarHBondContact CD-OD2 3.3Å; K109-D134 WeakPolarHBondContact CE-OD2 3.1Å; K109-D134 IonicContact NZ-OD1 2.68Å; K109-D134 PolarHBondContact NZ-OD1 3.15Å; K109-D134 IonicContact NZ-OD2 3.07Å; K109-D134 PolarHBondContact NZ-OD2 3.43Å; K109-S135 PolarHBondContact O-N 2.85Å; K109-S135 VanDerWaalsContact O-N 3.14Å
110Q98Very high95.7Very high0 Ų064.5 Ų64.50%033%0.332CS..SBendtrans-109.2130.3172.4-162.971.521.700108.7M46 D47 Y49 L57 I80 G85 V112M46-Q110 HydrophobicContact CB-CG 4.47Å; M46-Q110 HydrophobicContact CE-CB 4.23Å; M46-Q110 HydrophobicContact CE-CG 3.83Å; M46-Q110 HydrophobicContact CG-CG 4.47Å; D47-Q110 HydrophobicContact CB-CG 4.44Å; D47-Q110 PolarHBondContact O-NE2 3.44Å; Y49-Q110 PolarHBondContact O-NE2 3.39Å; Y49-Q110 PolarHBondContact O-OE1 3.4Å; L57-Q110 HydrophobicContact CD1-CG 4.29Å; I80-Q110 HydrophobicContact CD1-CB 4.3Å; I80-Q110 HydrophobicContact CD1-CG 4.36Å; I80-Q110 HydrophobicContact CG2-CB 3.34Å; I80-Q110 HydrophobicContact CG2-CG 3.91Å; G85-Q110 VanDerWaalsContact CA-O 3.29Å; G85-Q110 WeakPolarHBondContact CA-O 3.49Å; G85-Q110 PolarHBondContact O-N 3.44Å; Q110-V112 PolarHBondContact O-N 3.43Å
111R97.1Very high96Very high14 Ų1465.6 Ų65.65%0.05333%0.334CS..  trans-74.3125.6177.8-170.8174-68.4-77.1-1.6110.5R32 M46 D47 V127 N131 V133 S135 D136R32-R111 VanDerWaalsContact NH2-CD 3.3Å; M46-R111 CarbonylContact C-O 3.53Å; M46-R111 WeakPolarHBondContact CA-O 3.01Å; M46-R111 WeakPolarHBondContact CB-O 3.34Å; D47-R111 PolarHBondContact N-O 2.9Å; D47-R111 WeakPolarHBondContact OD2-CB 3.46Å; R111-V127 VanDerWaalsContact CD-O 3.23Å; R111-V127 WeakPolarHBondContact CD-O 3.49Å; R111-N131 PolarHBondContact NH2-O 3.17Å; R111-V133 HydrophobicContact CB-CB 4.48Å; R111-V133 HydrophobicContact CB-CG1 4.42Å; R111-S135 PolarHBondContact N-OG 3.11Å; R111-D136 IonicContact CZ-OD1 3.24Å; R111-D136 IonicContact CZ-OD2 2.69Å; R111-D136 IonicContact NE-OD1 3.24Å; R111-D136 PolarHBondContact NE-OD1 3.36Å; R111-D136 IonicContact NE-OD2 3.42Å; R111-D136 IonicContact NH2-OD1 2.74Å; R111-D136 PolarHBondContact NH2-OD1 3.1Å; R111-D136 IonicContact NH2-OD2 3.75Å; R111-D136 PolarHBondContact NH2-OD2 2.92Å
112V97.2Very high96.3Very high36 Ų3659.9 Ų59.922%0.21831%0.309CS..EExtended strand (participates in β ladder)trans-97.1152.9169.1-62.70000110.5A45 M46 Q110A45-V112 CarbonylContact O-C 3.52Å; A45-V112 WeakPolarHBondContact O-CA 3.38Å; M46-V112 HydrophobicContact CB-CG1 4.14Å; M46-V112 HydrophobicContact CE-CG1 4.12Å; Q110-V112 PolarHBondContact O-N 3.43Å
113H96.7Very high96.6Very high11 Ų1155.6 Ų55.65%0.05129%0.294CS..EExtended strand (participates in β ladder)trans-124.8153.6-179.1-57.8-53.5000109.8A45 D47 V124 V127A45-H113 HydrophobicContact CB-CB 3.96Å; A45-H113 PolarHBondContact O-N 2.89Å; D47-H113 IonicContact OD1-NE2 3.7Å; H113-V124 HydrophobicContact CB-CG1 3.75Å; H113-V127 PolarHBondContact ND1-N 3.27Å
114T96.1Very high96.7Very high67 Ų6751.8 Ų51.841%0.41128%0.279SS..EExtended strand (participates in β ladder)trans-79130.7-178-49.30000109.5V124 K125T114-V124 CarbonylContact O-C 3.48Å; T114-V124 VanDerWaalsContact O-CA 3.31Å; T114-V124 WeakPolarHBondContact O-CA 3.36Å; T114-K125 PolarHBondContact N-O 3.39Å; T114-K125 VanDerWaalsContact N-O 3.14Å; T114-K125 PolarHBondContact O-N 2.55Å
115V97.4Very high96.8Very high36 Ų3650.3 Ų50.322%0.21827%0.274CS..EExtended strand (participates in β ladder)trans-105.8133.2172.5-171.20000109.3F43 A45 I122 F123 V124F43-V115 HydrophobicContact CB-CB 4.22Å; F43-V115 HydrophobicContact CB-CG1 3.7Å; F43-V115 HydrophobicContact CB-CG2 4.38Å; F43-V115 HydrophobicContact CG-CG1 4.42Å; A45-V115 HydrophobicContact CB-CG2 3.46Å; A45-V115 VanDerWaalsContact CB-CG2 3.46Å; V115-I122 HydrophobicContact CG1-CG2 3.4Å; V115-I122 VanDerWaalsContact CG1-CG2 3.4Å; V115-F123 CarbonylContact C-O 3.53Å; V115-F123 WeakPolarHBondContact CA-O 3.29Å; V115-V124 HydrophobicContact CG2-CG2 4.36Å
116T97.2Very high96.7Very high48 Ų4848.6 Ų48.629%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-128.2134.3176.8-51.20000109.5Q118 F123T116-Q118 HydrophobicContact CG2-CG 4.07Å; T116-F123 PolarHBondContact N-O 2.68Å; T116-F123 PolarHBondContact O-N 2.65Å
117E96.1Very high96.4Very high97 Ų9747 Ų4745%0.45326%0.259SS..EExtended strand (participates in β ladder)trans-97.7131.9171.1179.7-179157.500109.9K16 E121 I122K16-E117 HydrophobicContact CD-CG 4.45Å; K16-E117 VanDerWaalsContact CD-OE1 3.27Å; K16-E117 WeakPolarHBondContact CD-OE1 3.36Å; K16-E117 WeakPolarHBondContact CD-OE2 3.29Å; K16-E117 WeakPolarHBondContact CE-OE2 3.47Å; K16-E117 IonicContact NZ-OE1 2.78Å; K16-E117 PolarHBondContact NZ-OE1 2.94Å; K16-E117 IonicContact NZ-OE2 2.75Å; K16-E117 PolarHBondContact NZ-OE2 2.91Å; E117-E121 CarbonylContact C-O 3.54Å; E117-E121 WeakPolarHBondContact CA-O 3.24Å; E117-I122 HydrophobicContact CB-CD1 3.86Å; E117-I122 HydrophobicContact CG-CD1 3.93Å
118Q95.4Very high95.3Very high87 Ų8750.7 Ų50.741%0.40727%0.269SS..EExtended strand (participates in β ladder)trans-140.7125.2173.4-57.9-1787.900109T116 G120 E121 F123T116-Q118 HydrophobicContact CG2-CG 4.07Å; Q118-G120 VanDerWaalsContact C-N 3.25Å; Q118-G120 PolarHBondContact O-N 2.82Å; Q118-G120 VanDerWaalsContact O-N 3.13Å; Q118-E121 PolarHBondContact N-O 2.68Å; Q118-E121 WeakPolarHBondContact O-CA 3.37Å; Q118-E121 WeakPolarHBondContact O-CB 3.26Å; Q118-E121 PolarHBondContact O-N 3.38Å; Q118-F123 HydrophobicContact CB-CD2 4.29Å; Q118-F123 HydrophobicContact CB-CE2 3.99Å; Q118-F123 HydrophobicContact CG-CD2 4.39Å
119N94.6Very high93.9Very high165 Ų16552.8 Ų52.888%0.88228%0.279SS*.THydrogen-bonded Turntrans51.836.3175.4-57-31.2000115.2E121N119-E121 VanDerWaalsContact C-N 3.27Å; N119-E121 PolarHBondContact O-N 2.99Å
120G95.3Very high92.4Very high33 Ų3355.8 Ų55.834%0.3430%0.304SS..THydrogen-bonded Turntrans789-177.600000114.6K16 Q118K16-G120 VanDerWaalsContact CB-O 3.26Å; K16-G120 WeakPolarHBondContact CB-O 3.5Å; K16-G120 PolarHBondContact N-O 2.98Å; Q118-G120 VanDerWaalsContact C-N 3.25Å; Q118-G120 PolarHBondContact O-N 2.82Å; Q118-G120 VanDerWaalsContact O-N 3.13Å
121E98Very high91.3Very high74 Ų7461.5 Ų61.535%0.34633%0.334SS..EExtended strand (participates in β ladder)trans-111.1145.3175.7-62-178.6152.300110.3F12 E117 Q118 N119 F123F12-E121 HydrophobicContact CD2-CB 4.1Å; F12-E121 HydrophobicContact CD2-CG 4.48Å; F12-E121 HydrophobicContact CE2-CB 3.81Å; F12-E121 HydrophobicContact CE2-CG 3.86Å; E117-E121 CarbonylContact C-O 3.54Å; E117-E121 WeakPolarHBondContact CA-O 3.24Å; Q118-E121 PolarHBondContact N-O 2.68Å; Q118-E121 WeakPolarHBondContact O-CA 3.37Å; Q118-E121 WeakPolarHBondContact O-CB 3.26Å; Q118-E121 PolarHBondContact O-N 3.38Å; N119-E121 VanDerWaalsContact C-N 3.27Å; N119-E121 PolarHBondContact O-N 2.99Å; E121-F123 HydrophobicContact CB-CD2 4.45Å; E121-F123 HydrophobicContact CB-CE2 3.6Å; E121-F123 HydrophobicContact CB-CZ 4.07Å
122I98.2Very high90.9Very high1 Ų169.3 Ų69.31%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-106.2132.8179.4-54.8-59000109.1V13 G14 K16 L19 F43 V115 E117V13-I122 HydrophobicContact CG2-CB 3.91Å; V13-I122 HydrophobicContact CG2-CG2 3.64Å; V13-I122 WeakPolarHBondContact CG2-O 3.49Å; V13-I122 PolarHBondContact N-O 3.5Å; G14-I122 PolarHBondContact O-N 3.35Å; K16-I122 HydrophobicContact CB-CD1 4.16Å; K16-I122 HydrophobicContact CB-CG1 4.23Å; K16-I122 HydrophobicContact CG-CD1 4.41Å; L19-I122 HydrophobicContact CD1-CB 3.64Å; L19-I122 HydrophobicContact CD1-CG1 3.77Å; L19-I122 HydrophobicContact CD1-CG2 4.13Å; F43-I122 HydrophobicContact CD2-CD1 3.81Å; F43-I122 HydrophobicContact CD2-CG1 4.39Å; F43-I122 HydrophobicContact CE1-CG1 4.42Å; F43-I122 HydrophobicContact CE2-CD1 3.51Å; F43-I122 HydrophobicContact CE2-CG1 3.92Å; F43-I122 HydrophobicContact CZ-CD1 4.05Å; F43-I122 HydrophobicContact CZ-CG1 3.92Å; V115-I122 HydrophobicContact CG1-CG2 3.4Å; V115-I122 VanDerWaalsContact CG1-CG2 3.4Å; E117-I122 HydrophobicContact CB-CD1 3.86Å; E117-I122 HydrophobicContact CG-CD1 3.93Å
123F98.1Very high90.8Very high31 Ų3168.1 Ų68.114%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-122.1146.5177.9-61.8-95.9000110.6L10 H11 F12 V115 T116 Q118 E121L10-F123 HydrophobicContact CB-CB 4.27Å; L10-F123 HydrophobicContact CB-CD1 4.28Å; L10-F123 HydrophobicContact CD2-CB 4.07Å; H11-F123 CarbonylContact O-C 3.53Å; H11-F123 WeakPolarHBondContact O-CA 3.38Å; F12-F123 HydrophobicContact CB-CD1 4.03Å; F12-F123 HydrophobicContact CB-CE1 3.72Å; F12-F123 HydrophobicContact CB-CZ 4.49Å; F12-F123 HydrophobicContact CD2-CE1 4.13Å; F12-F123 HydrophobicContact CD2-CZ 4.08Å; F12-F123 HydrophobicContact CG-CE1 4.43Å; V115-F123 CarbonylContact C-O 3.53Å; V115-F123 WeakPolarHBondContact CA-O 3.29Å; T116-F123 PolarHBondContact N-O 2.68Å; T116-F123 PolarHBondContact O-N 2.65Å; Q118-F123 HydrophobicContact CB-CD2 4.29Å; Q118-F123 HydrophobicContact CB-CE2 3.99Å; Q118-F123 HydrophobicContact CG-CD2 4.39Å; E121-F123 HydrophobicContact CB-CD2 4.45Å; E121-F123 HydrophobicContact CB-CE2 3.6Å; E121-F123 HydrophobicContact CB-CZ 4.07Å
124V97.7Very high90.7Very high0 Ų071 Ų710%038%0.378CS..EExtended strand (participates in β ladder)trans-118130.8173.3175.70000109.5H11 V13 L29 I36 A45 H113 T114 V115H11-V124 WeakPolarHBondContact CB-O 3.38Å; H11-V124 PolarHBondContact CD2-O 2.8Å; H11-V124 PolarHBondContact N-O 2.79Å; H11-V124 PolarHBondContact O-N 2.78Å; V13-V124 HydrophobicContact CB-CG2 4.46Å; V13-V124 HydrophobicContact CG1-CB 4.04Å; V13-V124 HydrophobicContact CG1-CG2 3.71Å; V13-V124 HydrophobicContact CG2-CG2 3.94Å; L29-V124 HydrophobicContact CD1-CB 3.87Å; L29-V124 HydrophobicContact CD1-CG1 3.87Å; I36-V124 HydrophobicContact CG1-CG2 4.21Å; A45-V124 HydrophobicContact CB-CG1 4.05Å; A45-V124 HydrophobicContact CB-CG2 3.98Å; H113-V124 HydrophobicContact CB-CG1 3.75Å; T114-V124 CarbonylContact O-C 3.48Å; T114-V124 VanDerWaalsContact O-CA 3.31Å; T114-V124 WeakPolarHBondContact O-CA 3.36Å; V115-V124 HydrophobicContact CG2-CG2 4.36Å
125K95.8Very high90.8Very high42 Ų4267.9 Ų67.918%0.18336%0.358CS..EExtended strand (participates in β ladder)trans-101.7120.4167.9-178.4-171.7-177.5-1670108.4E5 L10 T114 V127E5-K125 IonicContact OE2-NZ 3.65Å; E5-K125 PolarHBondContact OE2-NZ 3.12Å; L10-K125 HydrophobicContact CD2-CB 3.99Å; T114-K125 PolarHBondContact N-O 3.39Å; T114-K125 VanDerWaalsContact N-O 3.14Å; T114-K125 PolarHBondContact O-N 2.55Å; K125-V127 PolarHBondContact O-N 2.85Å
126L94.6Very high90.7Very high14 Ų1467.5 Ų67.57%0.07336%0.355CS..  trans-70115.9176.2-64-179.2000110.3L29 E30 V34 M128L29-L126 HydrophobicContact CB-CD1 4.01Å; L29-L126 HydrophobicContact CB-CD2 4.16Å; L29-L126 HydrophobicContact CB-CG 4.33Å; L29-L126 HydrophobicContact CD1-CD2 4.12Å; E30-L126 HydrophobicContact CB-CD1 4.06Å; E30-L126 HydrophobicContact CG-CD1 4.22Å; V34-L126 HydrophobicContact CG2-CD2 3.91Å; L126-M128 HydrophobicContact CB-CG 4.25Å
127V91.2Very high90.6Very high54 Ų5469.4 Ų69.433%0.32736%0.357SS..  trans-78.4123.4168179.10000108R111 H113 K125R111-V127 VanDerWaalsContact CD-O 3.23Å; R111-V127 WeakPolarHBondContact CD-O 3.49Å; H113-V127 PolarHBondContact ND1-N 3.27Å; K125-V127 PolarHBondContact O-N 2.85Å
128M73.6Confident90.6Very high108 Ų10866 Ų6653%0.53234%0.34SS..  trans-127.9-19.7-174.9-66.7-162-81.100115.2L126L126-M128 HydrophobicContact CB-CG 4.25Å
129I67.2Low90.5Very high144 Ų14462.5 Ų62.574%0.73832%0.324SS*.  trans-137.6148.9-168.1-63.1177.5000108.1
130P64.2Low90.4Very high109 Ų10956.2 Ų56.271%0.70830%0.298SS*.SBendcis-102-116.835.3-32.2000116.8
131N76.6Confident90.2Very high120 Ų12061 Ų6164%0.64231%0.312SS*.  trans-101128.9-172.2-65-33.7000112.2R111R111-N131 PolarHBondContact NH2-O 3.17Å
132K88.1Confident89.9Confident178 Ų17865.1 Ų65.177%0.77433%0.328SS*.  trans-65.5132.3167.6-173.6178.2-179.1-179.10109.1D136K132-D136 WeakPolarHBondContact CA-OD2 3.17Å
133V94.3Very high89.6Confident12 Ų1265 Ų657%0.07333%0.328CS..  trans-116.7144.5-179177.50000108.2I108 K109 R111 S135 D136I108-V133 HydrophobicContact CG2-CG1 4.23Å; I108-V133 HydrophobicContact CG2-CG2 4.11Å; K109-V133 WeakPolarHBondContact O-CG1 3.44Å; R111-V133 HydrophobicContact CB-CB 4.48Å; R111-V133 HydrophobicContact CB-CG1 4.42Å; V133-S135 PolarHBondContact O-N 2.66Å; V133-S135 VanDerWaalsContact O-N 3.12Å; V133-D136 PolarHBondContact N-OD2 3.06Å; V133-D136 WeakPolarHBondContact O-CB 3.44Å; V133-D136 PolarHBondContact O-N 3.49Å
134D96Very high89.3Confident72 Ų7267 Ų6739%0.38534%0.337SS..THydrogen-bonded Turntrans-52.8-38.1-174.1-66.724.5000112.7Y51 K109 D136 Y137Y51-D134 HydrophobicContact CD2-CB 3.97Å; Y51-D134 HydrophobicContact CG-CB 4.36Å; K109-D134 HydrophobicContact CD-CB 4.15Å; K109-D134 VanDerWaalsContact CD-CG 3.45Å; K109-D134 WeakPolarHBondContact CD-OD2 3.3Å; K109-D134 WeakPolarHBondContact CE-OD2 3.1Å; K109-D134 IonicContact NZ-OD1 2.68Å; K109-D134 PolarHBondContact NZ-OD1 3.15Å; K109-D134 IonicContact NZ-OD2 3.07Å; K109-D134 PolarHBondContact NZ-OD2 3.43Å; D134-D136 PolarHBondContact O-N 3.47Å; D134-Y137 WeakPolarHBondContact O-CB 3.23Å; D134-Y137 PolarHBondContact O-N 2.78Å
135S96.6Very high89Confident0 Ų070.9 Ų70.90%036%0.36CS..THydrogen-bonded Turntrans-63.2-20.6177.165.50000114.9D47 K109 R111 V133 Y137 Y138D47-S135 WeakPolarHBondContact OD2-CB 3.12Å; D47-S135 PolarHBondContact OD2-OG 3.04Å; K109-S135 PolarHBondContact O-N 2.85Å; K109-S135 VanDerWaalsContact O-N 3.14Å; R111-S135 PolarHBondContact N-OG 3.11Å; V133-S135 PolarHBondContact O-N 2.66Å; V133-S135 VanDerWaalsContact O-N 3.12Å; S135-Y137 PolarHBondContact O-N 3.25Å; S135-Y138 PolarHBondContact O-N 3.32Å; S135-Y138 VanDerWaalsContact O-N 3.12Å
136D95.6Very high88.7Confident29 Ų2972.8 Ų72.816%0.15537%0.369CS..Hα-helixtrans-58.2-32.6174.7-66.5-31.6000112R32 R111 K132 V133 D134 Y138 Q139 G140R32-D136 IonicContact CZ-OD1 2.6Å; R32-D136 IonicContact NH1-OD1 2.71Å; R32-D136 PolarHBondContact NH1-OD1 3.36Å; R32-D136 IonicContact NH2-OD1 3.25Å; R32-D136 PolarHBondContact NH2-OD1 3.31Å; R111-D136 IonicContact CZ-OD1 3.24Å; R111-D136 IonicContact CZ-OD2 2.69Å; R111-D136 IonicContact NE-OD1 3.24Å; R111-D136 PolarHBondContact NE-OD1 3.36Å; R111-D136 IonicContact NE-OD2 3.42Å; R111-D136 IonicContact NH2-OD1 2.74Å; R111-D136 PolarHBondContact NH2-OD1 3.1Å; R111-D136 IonicContact NH2-OD2 3.75Å; R111-D136 PolarHBondContact NH2-OD2 2.92Å; K132-D136 WeakPolarHBondContact CA-OD2 3.17Å; V133-D136 PolarHBondContact N-OD2 3.06Å; V133-D136 WeakPolarHBondContact O-CB 3.44Å; V133-D136 PolarHBondContact O-N 3.49Å; D134-D136 PolarHBondContact O-N 3.47Å; D136-Y138 PolarHBondContact O-N 2.89Å; D136-Q139 PolarHBondContact O-N 3.44Å; D136-Q139 VanDerWaalsContact O-N 3.16Å; D136-G140 PolarHBondContact O-N 2.93Å
137Y95.6Very high88.4Confident88 Ų8873 Ų7335%0.34537%0.369SS..Hα-helixtrans-55.2-44.8178.3178.8-100.1000111.2D134 S135 Q139 G140 K142 G143 E146D134-Y137 WeakPolarHBondContact O-CB 3.23Å; D134-Y137 PolarHBondContact O-N 2.78Å; S135-Y137 PolarHBondContact O-N 3.25Å; Y137-Q139 VanDerWaalsContact C-N 3.32Å; Y137-Q139 PolarHBondContact O-N 2.81Å; Y137-G140 PolarHBondContact O-N 3.32Å; Y137-K142 HydrophobicContact CE2-CB 4.23Å; Y137-G143 WeakPolarHBondContact O-CA 3.09Å; Y137-G143 PolarHBondContact O-N 2.57Å; Y137-E146 WeakPolarHBondContact CE1-OE2 3.5Å; Y137-E146 VanDerWaalsContact OH-CD 3.31Å; Y137-E146 PolarHBondContact OH-OE1 3.16Å
138Y95.9Very high88.2Confident24 Ų2472.7 Ų72.79%0.09437%0.372CS..Hα-helixtrans-70.3-31.1-177.3-68.7-66.1000112C50 Y51 H52 A53 G54 S135 D136 G140 G143 R147C50-Y138 WeakPolarHBondContact O-CD2 3.42Å; Y51-Y138 WeakPolarHBondContact O-CE2 3.31Å; H52-Y138 PolarHBondContact O-OH 3.17Å; A53-Y138 VanDerWaalsContact CA-OH 3.24Å; A53-Y138 WeakPolarHBondContact CA-OH 3.36Å; G54-Y138 VanDerWaalsContact N-CZ 3.28Å; S135-Y138 PolarHBondContact O-N 3.32Å; S135-Y138 VanDerWaalsContact O-N 3.12Å; D136-Y138 PolarHBondContact O-N 2.89Å; Y138-G140 VanDerWaalsContact C-N 3.31Å; Y138-G140 PolarHBondContact O-N 2.69Å; Y138-G143 CarbonylContact O-C 3.57Å; Y138-R147 HydrophobicContact CD1-CG 4.04Å; Y138-R147 PolarHBondContact O-NE 2.91Å; Y138-R147 PolarHBondContact O-NH1 3.1Å
139Q94.4Very high88.5Confident15 Ų1574 Ų747%0.0738%0.375CS..Hα-helixtrans-71.4-24176.5-59.3-67.17.100113.5R32 D33 D47 D136 Y137 K144R32-Q139 HydrophobicContact CG-CB 4.31Å; R32-Q139 HydrophobicContact CG-CG 3.87Å; D33-Q139 VanDerWaalsContact N-OE1 3.08Å; D33-Q139 PolarHBondContact O-NE2 2.85Å; D47-Q139 VanDerWaalsContact CG-NE2 3.25Å; D47-Q139 PolarHBondContact OD1-NE2 2.94Å; D136-Q139 PolarHBondContact O-N 3.44Å; D136-Q139 VanDerWaalsContact O-N 3.16Å; Y137-Q139 VanDerWaalsContact C-N 3.32Å; Y137-Q139 PolarHBondContact O-N 2.81Å; Q139-K144 WeakPolarHBondContact O-CE 3.49Å
140G91.6Very high88.9Confident32 Ų3268.5 Ų68.533%0.3335%0.351SS..SBendtrans-77.2169.8177.800000114.1D136 Y137 Y138 K142 G143 K144D136-G140 PolarHBondContact O-N 2.93Å; Y137-G140 PolarHBondContact O-N 3.32Å; Y138-G140 VanDerWaalsContact C-N 3.31Å; Y138-G140 PolarHBondContact O-N 2.69Å; G140-K142 VanDerWaalsContact C-N 3.34Å; G140-K142 PolarHBondContact O-N 3.12Å; G140-G143 PolarHBondContact O-N 2.9Å; G140-G143 VanDerWaalsContact O-N 3.1Å; G140-K144 WeakPolarHBondContact O-CG 3.37Å; G140-K144 PolarHBondContact O-N 3.14Å
141E92.2Very high89.2Confident134 Ų13469.5 Ų69.563%0.62634%0.344SS*.Hα-helixtrans-56.7-42.4-176.6-63.9-5511800113.6G143 K144 V145E141-G143 PolarHBondContact O-N 2.69Å; E141-K144 WeakPolarHBondContact O-CB 3.34Å; E141-K144 PolarHBondContact O-N 2.83Å; E141-K144 IonicContact OE1-NZ 2.68Å; E141-K144 PolarHBondContact OE1-NZ 2.74Å; E141-V145 WeakPolarHBondContact O-CG2 3.36Å; E141-V145 PolarHBondContact O-N 3.24Å
142K91.5Very high88.9Confident160 Ų16071 Ų7170%0.69635%0.347SS*.Hα-helixtrans-62.6-45.2176.5-67.6-174.7177.6-176.90111.7Y137 G140 K144 V145 E146Y137-K142 HydrophobicContact CE2-CB 4.23Å; G140-K142 VanDerWaalsContact C-N 3.34Å; G140-K142 PolarHBondContact O-N 3.12Å; K142-K144 PolarHBondContact O-N 3.24Å; K142-V145 PolarHBondContact O-N 3.05Å; K142-E146 PolarHBondContact O-N 3.2Å; K142-E146 VanDerWaalsContact O-N 3.11Å
143G91.6Very high87.6Confident0 Ų066 Ų660%034%0.335CS..Hα-helixtrans-60.7-42.1176.300000113Y137 Y138 G140 E141 V145 E146 R147Y137-G143 WeakPolarHBondContact O-CA 3.09Å; Y137-G143 PolarHBondContact O-N 2.57Å; Y138-G143 CarbonylContact O-C 3.57Å; G140-G143 PolarHBondContact O-N 2.9Å; G140-G143 VanDerWaalsContact O-N 3.1Å; E141-G143 PolarHBondContact O-N 2.69Å; G143-V145 VanDerWaalsContact C-N 3.32Å; G143-V145 PolarHBondContact O-N 3.1Å; G143-E146 PolarHBondContact O-N 3.21Å; G143-R147 VanDerWaalsContact O-CG 3.26Å; G143-R147 WeakPolarHBondContact O-CG 3.32Å; G143-R147 PolarHBondContact O-N 3.32Å
144K90.9Very high85.8Confident73 Ų7369.4 Ų69.432%0.31735%0.353SS..Hα-helixtrans-55.9-45.5174.7-73.1172.6-173.5171.20112Q139 G140 E141 K142 R147 A148Q139-K144 WeakPolarHBondContact O-CE 3.49Å; G140-K144 WeakPolarHBondContact O-CG 3.37Å; G140-K144 PolarHBondContact O-N 3.14Å; E141-K144 WeakPolarHBondContact O-CB 3.34Å; E141-K144 PolarHBondContact O-N 2.83Å; E141-K144 IonicContact OE1-NZ 2.68Å; E141-K144 PolarHBondContact OE1-NZ 2.74Å; K142-K144 PolarHBondContact O-N 3.24Å; K144-R147 VanDerWaalsContact CG-NH2 3.35Å; K144-R147 PolarHBondContact O-N 3.12Å; K144-A148 PolarHBondContact O-N 3.3Å
145V91.7Very high83.7Confident80 Ų8069.5 Ų69.549%0.48537%0.371SS..Hα-helixtrans-63.2-44.3177.4175.20000111.4E141 K142 G143 A148 K149E141-V145 WeakPolarHBondContact O-CG2 3.36Å; E141-V145 PolarHBondContact O-N 3.24Å; K142-V145 PolarHBondContact O-N 3.05Å; G143-V145 VanDerWaalsContact C-N 3.32Å; G143-V145 PolarHBondContact O-N 3.1Å; V145-A148 PolarHBondContact O-N 3.28Å; V145-K149 HydrophobicContact CG1-CD 4.37Å; V145-K149 WeakPolarHBondContact O-CG 3.49Å; V145-K149 PolarHBondContact O-N 3.47Å; V145-K149 VanDerWaalsContact O-N 3.1Å
146E88.6Confident81Confident83 Ų8376 Ų7639%0.38841%0.406SS..Hα-helixtrans-65.1-40.8178-73.5-176.5-163.900113Y137 K142 G143 A148 K149 A150Y137-E146 WeakPolarHBondContact CE1-OE2 3.5Å; Y137-E146 VanDerWaalsContact OH-CD 3.31Å; Y137-E146 PolarHBondContact OH-OE1 3.16Å; K142-E146 PolarHBondContact O-N 3.2Å; K142-E146 VanDerWaalsContact O-N 3.11Å; G143-E146 PolarHBondContact O-N 3.21Å; E146-A148 VanDerWaalsContact C-N 3.29Å; E146-A148 PolarHBondContact O-N 3.45Å; E146-K149 PolarHBondContact O-N 3.22Å; E146-A150 WeakPolarHBondContact O-CB 3.43Å; E146-A150 PolarHBondContact O-N 3.23Å
147R89.6Confident78.3Confident19 Ų1982 Ų827%0.07243%0.434CS..Hα-helixtrans-63.3-36.5175.6-68.6-175.6-52.1-157.616112.1D33 Y49 Y138 G143 K144 K151D33-R147 IonicContact OD2-NH2 2.92Å; Y49-R147 VanDerWaalsContact CD1-CD 3.41Å; Y49-R147 VanDerWaalsContact CD2-CZ 3.48Å; Y49-R147 VanDerWaalsContact CG-CD 3.48Å; Y138-R147 HydrophobicContact CD1-CG 4.04Å; Y138-R147 PolarHBondContact O-NE 2.91Å; Y138-R147 PolarHBondContact O-NH1 3.1Å; G143-R147 VanDerWaalsContact O-CG 3.26Å; G143-R147 WeakPolarHBondContact O-CG 3.32Å; G143-R147 PolarHBondContact O-N 3.32Å; K144-R147 VanDerWaalsContact CG-NH2 3.35Å; K144-R147 PolarHBondContact O-N 3.12Å; R147-K151 WeakPolarHBondContact O-CG 3.36Å; R147-K151 PolarHBondContact O-N 3.37Å; R147-K151 VanDerWaalsContact O-N 3.11Å
148A85.8Confident75.6Confident47 Ų4783 Ų8339%0.38845%0.452SS..Hα-helixtrans-64.6-5017600000110.7K144 V145 E146 A150 K151 E152K144-A148 PolarHBondContact O-N 3.3Å; V145-A148 PolarHBondContact O-N 3.28Å; E146-A148 VanDerWaalsContact C-N 3.29Å; E146-A148 PolarHBondContact O-N 3.45Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A150 PolarHBondContact O-N 3.22Å; A148-K151 WeakPolarHBondContact O-CB 3.47Å; A148-K151 PolarHBondContact O-N 3.39Å; A148-E152 PolarHBondContact O-N 3.21Å; A148-E152 VanDerWaalsContact O-N 3.16Å
149K81.1Confident73.2Confident134 Ų13488.3 Ų88.358%0.58349%0.486SS*.Hα-helixtrans-57.9-43.7176.5-68.6176179.1-177.50112.7V145 E146 K151 E152 S153V145-K149 HydrophobicContact CG1-CD 4.37Å; V145-K149 WeakPolarHBondContact O-CG 3.49Å; V145-K149 PolarHBondContact O-N 3.47Å; V145-K149 VanDerWaalsContact O-N 3.1Å; E146-K149 PolarHBondContact O-N 3.22Å; K149-K151 VanDerWaalsContact C-N 3.26Å; K149-K151 PolarHBondContact O-N 3.26Å; K149-E152 PolarHBondContact O-N 3.48Å; K149-S153 PolarHBondContact O-N 3.34Å
150A74.9Confident70.7Confident29 Ų2995.7 Ų95.724%0.2452%0.523CS..Hα-helixtrans-73.1-13.6179.300000114K75 E146 A148 S153K75-A150 PolarHBondContact NZ-O 2.81Å; E146-A150 WeakPolarHBondContact O-CB 3.43Å; E146-A150 PolarHBondContact O-N 3.23Å; A148-A150 VanDerWaalsContact C-N 3.33Å; A148-A150 PolarHBondContact O-N 3.22Å; A150-S153 PolarHBondContact O-OG 3.11Å
151K71.4Confident68.3Low130 Ų130102.4 Ų102.457%0.56554%0.543SS*.Hα-helixtrans-83.7-35.4170.1-81.3-179.2176.2-173.40111.2R147 A148 K149R147-K151 WeakPolarHBondContact O-CG 3.36Å; R147-K151 PolarHBondContact O-N 3.37Å; R147-K151 VanDerWaalsContact O-N 3.11Å; A148-K151 WeakPolarHBondContact O-CB 3.47Å; A148-K151 PolarHBondContact O-N 3.39Å; K149-K151 VanDerWaalsContact C-N 3.26Å; K149-K151 PolarHBondContact O-N 3.26Å
152E69.6Low66Low151 Ų151103.4 Ų103.471%0.70655%0.553SS**Hα-helixtrans-68.9-36.7178.2-68.4170.916800111.9A148 K149A148-E152 PolarHBondContact O-N 3.21Å; A148-E152 VanDerWaalsContact O-N 3.16Å; K149-E152 PolarHBondContact O-N 3.48Å
153S60.5Low63.9Low75 Ų75102.9 Ų102.952%0.52456%0.558SS.*G310 helixtrans-73.5-28.8178.361.60000114.6K149 A150 G155K149-S153 PolarHBondContact O-N 3.34Å; A150-S153 PolarHBondContact O-OG 3.11Å; S153-G155 VanDerWaalsContact C-N 3.25Å; S153-G155 PolarHBondContact O-N 3.5Å
154D57.1Low61.8Low82 Ų82111.2 Ų111.244%0.43960%0.597SS.*G310 helixtrans-77.2-13.1-179.2-77.86.7000112.5K75 D156K75-D154 WeakPolarHBondContact CE-OD2 3.16Å; K75-D154 IonicContact NZ-OD2 3.89Å; K75-D154 PolarHBondContact NZ-OD2 3.3Å; D154-D156 PolarHBondContact O-N 3.06Å
155G51Low59.9Low74 Ų74117 Ų11776%0.76363%0.625SS**G310 helixtrans-77-4.4175.600000114.8S153S153-G155 VanDerWaalsContact C-N 3.25Å; S153-G155 PolarHBondContact O-N 3.5Å
156D40.7Very low57.8Low138 Ų138120.2 Ų120.274%0.73864%0.639SS**G310 helixtrans-11323.4-173.6-162.531.6000113.5D154 P158D154-D156 PolarHBondContact O-N 3.06Å; D156-P158 VanDerWaalsContact O-CD 3.27Å; D156-P158 WeakPolarHBondContact O-CD 3.42Å
157M38Very low55.9Low153 Ų153127.7 Ų127.775%0.75468%0.682SS**  trans-79.1115.9169.4-74.8-158.1-76.900109.6V159M157-V159 PolarHBondContact O-N 3.18Å
158P40.1Very low54.2Low111 Ų111133.1 Ų133.172%0.72171%0.712SS**  trans-60.6131.8174.124.4-31.2000108.6D156 M160D156-P158 VanDerWaalsContact O-CD 3.27Å; D156-P158 WeakPolarHBondContact O-CD 3.42Å; P158-M160 PolarHBondContact O-N 3.02Å
159V44.4Very low52.6Low134 Ų134137.6 Ų137.681%0.81273%0.729SS**  trans-55.4105.6165.7-179.20000105.9M157 K161M157-V159 PolarHBondContact O-N 3.18Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 2.79Å
160M43.4Very low51Low171 Ų171137.8 Ų137.884%0.84274%0.738SS**  trans-59.4107.2163.6-67.8-178.7-178.500104.6P158 D162P158-M160 PolarHBondContact O-N 3.02Å; M160-D162 PolarHBondContact O-N 3.13Å
161K40.7Very low49.6Very low172 Ų172144.2 Ų144.275%0.74877%0.767SS**  trans-61.6122.9164.8-74.7177.7175.9178.30104.9V159 D163V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 2.79Å; K161-D163 PolarHBondContact O-N 2.71Å
162D43Very low48.2Very low155 Ų155145.1 Ų145.183%0.82978%0.779SS**  trans-60.399.5162-65.1-44.8000105.2M160 E164M160-D162 PolarHBondContact O-N 3.13Å; D162-E164 PolarHBondContact O-N 3.07Å; D162-E164 VanDerWaalsContact O-N 3.14Å
163D46.8Very low46.8Very low149 Ų149144.7 Ų144.780%0.79778%0.784SS**  trans-66.9112.3168.8-76.2-33000105.9K161K161-D163 PolarHBondContact O-N 2.71Å
164E49.2Very low45.8Very low176 Ų176149.7 Ų149.782%0.82280%0.803SS**  trans-48.1135.8173.5-70171.4140.200110.1D162 D166D162-E164 PolarHBondContact O-N 3.07Å; D162-E164 VanDerWaalsContact O-N 3.14Å; E164-D166 PolarHBondContact O-N 2.54Å
165E50.3Low44.9Very low193 Ų193154.9 Ų154.990%0.90283%0.831SS**  trans-55.4120.4162.5-69.7177.3154.200108.5
166D47.2Very low44.4Very low148 Ų148161.7 Ų161.779%0.79184%0.837SS**  trans-140.2126.8156.4-94.3-37.3000109.3E164E164-D166 PolarHBondContact O-N 2.54Å
167D49.5Very low44.8Very low240 Ų240163.8 Ų163.8100%1.28385%0.846SS**  trans80.10174.2-64.7-39000120.7

Retrieved 167 of 167 residues in 122.6 ms (Link to these results)

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