A0A077ZR13_TRITR Loading...

Large ribosomal subunit protein eL22

AlphaFold DB , UniProt , Accession A0A077ZR13, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 114 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
1M77.8Confident70Confident24 Ų2466 Ų6612%0.11832%0.321CS..  0128.30-68.1173.9101.600109.8I30 E31 C32 P35 M41 F46 L97 R107 V109M1-I30 HydrophobicContact CE-CG2 4.24Å; M1-E31 WeakPolarHBondContact CA-O 3.33Å; M1-C32 HydrophobicContact CE-CB 4.3Å; M1-C32 WeakPolarHBondContact CE-SG 3.07Å; M1-P35 HydrophobicContact CG-CG 3.95Å; M1-M41 HydrophobicContact CE-CE 3.79Å; M1-M41 HydrophobicContact CE-SD 3.42Å; M1-M41 WeakPolarHBondContact CE-SD 3.37Å; M1-M41 HydrophobicContact CG-CE 4.49Å; M1-M41 HydrophobicContact SD-CE 3.51Å; M1-M41 VanDerWaalsContact SD-CE 3.51Å; M1-M41 HydrophobicContact SD-SD 3.94Å; M1-F46 HydrophobicContact CE-CD1 3.87Å; M1-F46 HydrophobicContact CE-CE1 3.71Å; M1-F46 HydrophobicContact CE-CZ 4.24Å; M1-L97 HydrophobicContact SD-CD1 4.46Å; M1-L97 HydrophobicContact SD-CD2 4.28Å; M1-R107 PolarHBondContact N-O 2.92Å; M1-V109 PolarHBondContact O-N 3.2Å
2A81.8Confident68.3Low17 Ų1766.8 Ų66.814%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-108.9138.617900000110.9I30 E31 V109 L111A2-I30 WeakPolarHBondContact O-CA 3.43Å; A2-E31 PolarHBondContact N-O 2.98Å; A2-E31 VanDerWaalsContact N-O 3.15Å; A2-E31 PolarHBondContact O-N 2.99Å; A2-V109 CarbonylContact C-O 3.59Å; A2-V109 WeakPolarHBondContact CA-O 3.38Å; A2-L111 HydrophobicContact CB-CD1 3.93Å; A2-L111 HydrophobicContact CB-CD2 4.2Å; A2-L111 HydrophobicContact CB-CG 3.83Å
3I83.5Confident66.2Low2 Ų269.9 Ų69.91%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-114125.4172.3-50176.3000109.1F29 I30 K86 L89 K90 T93 V108 V109 A110 L111I3-F29 WeakPolarHBondContact CA-O 3.34Å; I3-I30 HydrophobicContact CG1-CG1 4.34Å; I3-I30 HydrophobicContact CG1-CG2 4.34Å; I3-I30 HydrophobicContact CG2-CG1 4.33Å; I3-K86 HydrophobicContact CB-CG 4.47Å; I3-K86 HydrophobicContact CG2-CD 4.15Å; I3-K86 HydrophobicContact CG2-CG 3.76Å; I3-K86 WeakPolarHBondContact O-CE 3.4Å; I3-K86 PolarHBondContact O-NZ 3.31Å; I3-L89 HydrophobicContact CD1-CB 4.44Å; I3-K90 HydrophobicContact CD1-CB 4.03Å; I3-T93 HydrophobicContact CD1-CG2 4.2Å; I3-V108 HydrophobicContact CD1-CG1 3.54Å; I3-V108 HydrophobicContact CG1-CG1 3.91Å; I3-V109 PolarHBondContact N-O 3.14Å; I3-A110 WeakPolarHBondContact O-CA 3.47Å; I3-L111 PolarHBondContact O-N 3.21Å
4K84Confident64.1Low66 Ų6679.6 Ų79.629%0.28741%0.405SS..EExtended strand (participates in β ladder)trans-120.6121174.2-177.8158-178.9133.70109.7F28 F29 L111 D112K4-F28 WeakPolarHBondContact O-CA 3.31Å; K4-F29 PolarHBondContact N-O 3.11Å; K4-F29 PolarHBondContact O-N 3.38Å; K4-L111 HydrophobicContact CB-CD1 4.27Å; K4-L111 HydrophobicContact CD-CD1 4.43Å; K4-D112 WeakPolarHBondContact CD-OD2 3.44Å; K4-D112 WeakPolarHBondContact CE-OD2 3.49Å; K4-D112 IonicContact NZ-OD2 3.34Å; K4-D112 PolarHBondContact NZ-OD2 3.3Å
5G77.2Confident62.5Low4 Ų483.4 Ų83.44%0.04143%0.434CS..EExtended strand (participates in β ladder)trans-93.9144.3169.600000110.1D114G5-D114 WeakPolarHBondContact CA-OD2 3.28Å; G5-D114 PolarHBondContact N-OD2 2.82Å
6R74.8Confident61.1Low119 Ų11982.9 Ų82.945%0.44946%0.455SS..EExtended strand (participates in β ladder)trans-132.9119.7161.5-78.7-168.1-108.9-176.7-6.1107.6F8 K27R6-F8 HydrophobicContact CB-CD2 4.41Å; R6-F8 HydrophobicContact CB-CE2 3.89Å; R6-F8 HydrophobicContact CB-CZ 4.43Å; R6-K27 PolarHBondContact N-O 2.92Å; R6-K27 PolarHBondContact O-N 2.69Å
7R67.5Low59.9Low123 Ų12391.4 Ų91.446%0.46449%0.486SS..EExtended strand (participates in β ladder)trans-82.2118.4170.1-57.6-175.4-144.9169.74.7107.6D114R7-D114 PolarHBondContact NH2-OXT 3.02Å
8F63.6Low59Low93 Ų9389.2 Ų89.241%0.40849%0.49SS..EExtended strand (participates in β ladder)trans-97.4118.9167.3-70.6-86000107.6R6 T10 T25 K27R6-F8 HydrophobicContact CB-CD2 4.41Å; R6-F8 HydrophobicContact CB-CE2 3.89Å; R6-F8 HydrophobicContact CB-CZ 4.43Å; F8-T10 PolarHBondContact O-N 2.94Å; F8-T25 PolarHBondContact N-O 3.1Å; F8-T25 PolarHBondContact O-N 3.06Å; F8-K27 HydrophobicContact CD2-CB 4.15Å; F8-K27 HydrophobicContact CD2-CD 4.21Å; F8-K27 HydrophobicContact CD2-CG 4.14Å; F8-K27 HydrophobicContact CE2-CB 4.15Å; F8-K27 HydrophobicContact CE2-CD 4.17Å; F8-K27 HydrophobicContact CE2-CG 4.4Å
9Y56.9Low58.3Low149 Ų14994.3 Ų94.358%0.58452%0.515SS*.EExtended strand (participates in β ladder)trans-82101.3164.8-62.5-79.5000106.5G11 V24Y9-G11 PolarHBondContact O-N 3.05Å; Y9-G11 VanDerWaalsContact O-N 3.15Å; Y9-V24 HydrophobicContact CD1-CG1 4.32Å; Y9-V24 HydrophobicContact CD1-CG2 4.05Å; Y9-V24 HydrophobicContact CE1-CG1 4.34Å; Y9-V24 HydrophobicContact CE1-CG2 4.23Å
10T52.7Low57.8Low71 Ų7199 Ų9944%0.43653%0.53SS..  trans-73.1106.4163.353.30000105.9F8 K23F8-T10 PolarHBondContact O-N 2.94Å; T10-K23 PolarHBondContact OG1-O 2.94Å
11G50.1Low57.6Low58 Ų58104 Ų10460%0.59855%0.547SS*.PPolyproline II helixtrans-68148.1-17200000111.6Y9 S13Y9-G11 PolarHBondContact O-N 3.05Å; Y9-G11 VanDerWaalsContact O-N 3.15Å; G11-S13 PolarHBondContact O-N 3.3Å
12P49.8Very low56.5Low75 Ų75108.9 Ų108.949%0.48757%0.568SS.*PPolyproline II helixtrans-65.3128.7163.428.2-28.5000107.5K14 K22P12-K14 PolarHBondContact O-N 3.43Å; P12-K22 HydrophobicContact CG-CD 4.45Å; P12-K22 HydrophobicContact CG-CG 4.1Å
13S40.6Very low55.6Low108 Ų108116.4 Ų116.476%0.75560%0.597SS**PPolyproline II helixtrans-53.2125.7165.643.90000108G11 T15G11-S13 PolarHBondContact O-N 3.3Å; S13-T15 PolarHBondContact O-N 2.92Å
14K37.2Very low55Low205 Ų205118.3 Ų118.389%0.89161%0.609SS**SBendtrans-59.8102.8175.9-69.7177.3177.8176.40108.4P12P12-K14 PolarHBondContact O-N 3.43Å
15T39.7Very low55Low137 Ų137116.2 Ų116.284%0.8460%0.602SS**  trans178.7122.7150.339.50000108.7S13S13-T15 PolarHBondContact O-N 2.92Å
16G39.9Very low55.6Low75 Ų75117.3 Ų117.377%0.77361%0.606SS**SBendtrans112.6118.5164.100000114.7G18G16-G18 PolarHBondContact O-N 3.21Å
17K41.8Very low56.3Low227 Ų227115.4 Ų115.499%0.98760%0.601SS**SBendtrans-55.5101.7176-66173.5177.61750110.6
18G42.6Very low57.5Low53 Ų53109.8 Ų109.855%0.54658%0.58SS.*  trans169.6109.817100000109.3G16 K20G16-G18 PolarHBondContact O-N 3.21Å; G18-K20 PolarHBondContact O-N 3.22Å
19L46.8Very low58.9Low185 Ų185106.5 Ų106.597%0.96957%0.565SS**  trans-64.171.7177.9-82.477.3000110.6K21L19-K21 PolarHBondContact O-N 3.34Å
20K48.7Very low60.7Low189 Ų18999.4 Ų99.482%0.82254%0.538SS*.  trans-71.6112.2166.6-73.7-175.4178.6176.90106.6G18 K22G18-K20 PolarHBondContact O-N 3.22Å; K20-K22 PolarHBondContact O-N 3.09Å; K20-K22 VanDerWaalsContact O-N 3.14Å
21K52.1Low62.5Low203 Ų20399.6 Ų99.688%0.88353%0.534SS*.  trans-41.3121.3176.2-96177.9175.9172.40109.2L19 K23L19-K21 PolarHBondContact O-N 3.34Å; K21-K23 PolarHBondContact O-N 2.69Å
22K55.7Low64.5Low128 Ų12896.9 Ų96.956%0.55751%0.505SS*.  trans-52.2123.1175.6-56.8-170.9177.2173.90107.8P12 K20 V24P12-K22 HydrophobicContact CG-CD 4.45Å; P12-K22 HydrophobicContact CG-CG 4.1Å; K20-K22 PolarHBondContact O-N 3.09Å; K20-K22 VanDerWaalsContact O-N 3.14Å; K22-V24 PolarHBondContact O-N 3.25Å; K22-V24 VanDerWaalsContact O-N 3.13Å
23K63.1Low66.5Low174 Ų17494.5 Ų94.576%0.75749%0.49SS*.  trans-66.4112.2169-72.4-173.8177.5-175.80106.1T10 K21T10-K23 PolarHBondContact OG1-O 2.94Å; K21-K23 PolarHBondContact O-N 2.69Å
24V70.8Confident68.9Low42 Ų4295.8 Ų95.826%0.25548%0.484SS..EExtended strand (participates in β ladder)trans-97101.6179.8-179.40000107.2Y9 K22 Q26Y9-V24 HydrophobicContact CD1-CG1 4.32Å; Y9-V24 HydrophobicContact CD1-CG2 4.05Å; Y9-V24 HydrophobicContact CE1-CG1 4.34Å; Y9-V24 HydrophobicContact CE1-CG2 4.23Å; K22-V24 PolarHBondContact O-N 3.25Å; K22-V24 VanDerWaalsContact O-N 3.13Å; V24-Q26 HydrophobicContact CG1-CG 4.06Å
25T84.2Confident71.5Confident22 Ų2286.1 Ų86.114%0.13544%0.442CS..EExtended strand (participates in β ladder)trans-84.3117.6173-560000109.3F8 T79 A80 D81F8-T25 PolarHBondContact N-O 3.1Å; F8-T25 PolarHBondContact O-N 3.06Å; T25-T79 HydrophobicContact CG2-CG2 3.54Å; T25-A80 CarbonylContact C-O 3.52Å; T25-A80 WeakPolarHBondContact CA-O 3.45Å; T25-D81 WeakPolarHBondContact CB-OD1 3.49Å; T25-D81 VanDerWaalsContact CG2-OD1 3.25Å; T25-D81 WeakPolarHBondContact CG2-OD1 3.46Å; T25-D81 PolarHBondContact OG1-OD1 3.42Å
26Q88.2Confident73.9Confident27 Ų2781.5 Ų81.513%0.12641%0.414CS..EExtended strand (participates in β ladder)trans-102.1131.5-179.7-59179.1-17.500109.6V24 F28 T79 A80 F84V24-Q26 HydrophobicContact CG1-CG 4.06Å; Q26-F28 HydrophobicContact CB-CD2 4.42Å; Q26-F28 HydrophobicContact CB-CE2 3.54Å; Q26-F28 HydrophobicContact CB-CZ 3.94Å; Q26-T79 CarbonylContact O-C 3.6Å; Q26-T79 WeakPolarHBondContact O-CA 3.3Å; Q26-A80 PolarHBondContact N-O 3.29Å; Q26-A80 PolarHBondContact O-N 2.81Å; Q26-F84 PolarHBondContact OE1-O 3.12Å
27K91.3Very high76.4Confident79 Ų7984.7 Ų84.734%0.34341%0.409SS..EExtended strand (participates in β ladder)trans-116.2125.5175.7-67.1-167.3174.5-173.10109.9R6 F8 F29 V78 T79R6-K27 PolarHBondContact N-O 2.92Å; R6-K27 PolarHBondContact O-N 2.69Å; F8-K27 HydrophobicContact CD2-CB 4.15Å; F8-K27 HydrophobicContact CD2-CD 4.21Å; F8-K27 HydrophobicContact CD2-CG 4.14Å; F8-K27 HydrophobicContact CE2-CB 4.15Å; F8-K27 HydrophobicContact CE2-CD 4.17Å; F8-K27 HydrophobicContact CE2-CG 4.4Å; K27-F29 HydrophobicContact CB-CE2 4.4Å; K27-V78 WeakPolarHBondContact CA-O 3.27Å; K27-T79 HydrophobicContact CD-CG2 4.44Å; K27-T79 HydrophobicContact CG-CG2 3.93Å
28F92.4Very high78.7Confident5 Ų579.2 Ų79.22%0.02239%0.39CS..EExtended strand (participates in β ladder)trans-117137.8176.8-57.9-84.7000109.3K4 Q26 C77 V78 F84 K86 L89K4-F28 WeakPolarHBondContact O-CA 3.31Å; Q26-F28 HydrophobicContact CB-CD2 4.42Å; Q26-F28 HydrophobicContact CB-CE2 3.54Å; Q26-F28 HydrophobicContact CB-CZ 3.94Å; F28-C77 CarbonylContact O-C 3.55Å; F28-C77 WeakPolarHBondContact O-CA 3.44Å; F28-V78 HydrophobicContact CB-CB 4.38Å; F28-V78 PolarHBondContact N-O 2.97Å; F28-V78 PolarHBondContact O-N 3.42Å; F28-F84 AromaticContact CD2-CD1 3.8Å; F28-F84 HydrophobicContact CD2-CD1 3.8Å; F28-F84 HydrophobicContact CD2-CE1 4.29Å; F28-F84 HydrophobicContact CE2-CB 4.29Å; F28-F84 AromaticContact CE2-CD1 3.58Å; F28-F84 HydrophobicContact CE2-CD1 3.58Å; F28-F84 HydrophobicContact CE2-CE1 4.47Å; F28-F84 HydrophobicContact CE2-CG 4.43Å; F28-F84 HydrophobicContact CZ-CD1 4.45Å; F28-K86 HydrophobicContact CD1-CB 4.09Å; F28-K86 HydrophobicContact CE1-CB 3.85Å; F28-L89 HydrophobicContact CB-CD1 3.38Å; F28-L89 HydrophobicContact CD1-CD1 4.3Å; F28-L89 HydrophobicContact CD2-CD1 4.14Å; F28-L89 HydrophobicContact CG-CD1 3.68Å
29F92.7Very high80.9Confident25 Ų2579.8 Ų79.811%0.1140%0.396CS..EExtended strand (participates in β ladder)trans-115.9130.3176.8-61.3-77.9000108.9I3 K4 K27 L76 C77I3-F29 WeakPolarHBondContact CA-O 3.34Å; K4-F29 PolarHBondContact N-O 3.11Å; K4-F29 PolarHBondContact O-N 3.38Å; K27-F29 HydrophobicContact CB-CE2 4.4Å; F29-L76 CarbonylContact C-O 3.59Å; F29-L76 WeakPolarHBondContact CA-O 3.33Å; F29-C77 HydrophobicContact CD1-CB 4.09Å; F29-C77 HydrophobicContact CE1-CB 4.04Å; F29-C77 VanDerWaalsContact CE1-SG 3.52Å
30I93.6Very high83Confident0 Ų074.2 Ų74.20%037%0.367CS..EExtended strand (participates in β ladder)trans-115.5116.3173.4-50.8175.5000106.8M1 A2 I3 F46 L50 R75 L76 L89 T93M1-I30 HydrophobicContact CE-CG2 4.24Å; A2-I30 WeakPolarHBondContact O-CA 3.43Å; I3-I30 HydrophobicContact CG1-CG1 4.34Å; I3-I30 HydrophobicContact CG1-CG2 4.34Å; I3-I30 HydrophobicContact CG2-CG1 4.33Å; I30-F46 HydrophobicContact CD1-CE1 4.17Å; I30-F46 HydrophobicContact CD1-CZ 4.23Å; I30-F46 HydrophobicContact CG2-CE1 4.14Å; I30-L50 HydrophobicContact CD1-CD1 4.19Å; I30-R75 CarbonylContact O-C 3.55Å; I30-R75 WeakPolarHBondContact O-CA 3.4Å; I30-L76 HydrophobicContact CB-CB 4.26Å; I30-L76 PolarHBondContact N-O 2.84Å; I30-L76 PolarHBondContact O-N 2.86Å; I30-L89 HydrophobicContact CD1-CB 4.42Å; I30-L89 HydrophobicContact CD1-CD1 4.31Å; I30-L89 HydrophobicContact CD1-CD2 4.31Å; I30-T93 HydrophobicContact CD1-CG2 4.21Å; I30-T93 HydrophobicContact CG2-CG2 4.45Å
31E92.5Very high85Confident75 Ų7565.7 Ų65.735%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-96.1121.4176.6-71.7177.6178.800109.8M1 A2 R75M1-E31 WeakPolarHBondContact CA-O 3.33Å; A2-E31 PolarHBondContact N-O 2.98Å; A2-E31 VanDerWaalsContact N-O 3.15Å; A2-E31 PolarHBondContact O-N 2.99Å; E31-R75 HydrophobicContact CG-CG 4.09Å; E31-R75 IonicContact OE1-CZ 2.69Å; E31-R75 IonicContact OE1-NH1 3.12Å
32C92.1Very high86.9Confident0 Ų059.9 Ų59.90%031%0.309CS..  trans-116.816.2-178.8-49.10000111.8M1 P35 V36 T74M1-C32 HydrophobicContact CE-CB 4.3Å; M1-C32 WeakPolarHBondContact CE-SG 3.07Å; C32-P35 HydrophobicContact CB-CG 4.39Å; C32-P35 WeakPolarHBondContact O-CD 3.49Å; C32-P35 VanDerWaalsContact O-CG 3.31Å; C32-P35 WeakPolarHBondContact O-CG 3.31Å; C32-V36 HydrophobicContact CB-CG2 3.89Å; C32-V36 VanDerWaalsContact O-CB 3.31Å; C32-V36 WeakPolarHBondContact O-CB 3.39Å; C32-V36 WeakPolarHBondContact O-CG2 3.4Å; C32-V36 PolarHBondContact O-N 3.19Å; C32-V36 VanDerWaalsContact O-N 3.11Å; C32-T74 WeakPolarHBondContact CA-O 3.46Å; C32-T74 VanDerWaalsContact CB-O 3.3Å; C32-T74 WeakPolarHBondContact CB-O 3.37Å; C32-T74 PolarHBondContact N-O 2.89Å
33S91.1Very high88.7Confident25 Ų2554 Ų5418%0.17528%0.284CS..Hα-helixtrans-49.5-64.7-176.950.60000112.8V36 E37S33-V36 PolarHBondContact O-N 3.09Å; S33-E37 WeakPolarHBondContact O-CB 3.32Å; S33-E37 WeakPolarHBondContact O-CG 3.42Å; S33-E37 PolarHBondContact O-N 3.46Å
34H90.2Very high90.1Very high136 Ų13646.8 Ų46.863%0.6326%0.258SS*.Hα-helixtrans-50.1-57.3-177.8-5576.1000113.4V36 E37 D38H34-V36 VanDerWaalsContact C-N 3.27Å; H34-V36 PolarHBondContact O-N 3.4Å; H34-E37 PolarHBondContact O-N 3.36Å; H34-D38 WeakPolarHBondContact O-CB 3.22Å; H34-D38 PolarHBondContact O-N 2.95Å
35P91.5Very high91.2Very high1 Ų148.4 Ų48.41%0.00627%0.266CS..Hα-helixtrans-69.3-21-178.528.7-37.3000114.8M1 C32 I40 M41 L106M1-P35 HydrophobicContact CG-CG 3.95Å; C32-P35 HydrophobicContact CB-CG 4.39Å; C32-P35 WeakPolarHBondContact O-CD 3.49Å; C32-P35 VanDerWaalsContact O-CG 3.31Å; C32-P35 WeakPolarHBondContact O-CG 3.31Å; P35-I40 PolarHBondContact O-N 2.94Å; P35-M41 HydrophobicContact CB-CB 3.9Å; P35-M41 HydrophobicContact CG-CB 4.48Å; P35-M41 HydrophobicContact CG-SD 4.4Å; P35-M41 PolarHBondContact O-N 3.16Å; P35-L106 HydrophobicContact CB-CD1 3.84Å; P35-L106 HydrophobicContact CB-CD2 3.8Å; P35-L106 HydrophobicContact CB-CG 4.5Å; P35-L106 HydrophobicContact CG-CD2 4.33Å
36V91.8Very high91.7Very high40 Ų4047.4 Ų47.424%0.24226%0.259CS..Hα-helixtrans-80.7-40.9175.6174.30000110.3C32 S33 H34 G39 M41 A43 T74C32-V36 HydrophobicContact CB-CG2 3.89Å; C32-V36 VanDerWaalsContact O-CB 3.31Å; C32-V36 WeakPolarHBondContact O-CB 3.39Å; C32-V36 WeakPolarHBondContact O-CG2 3.4Å; C32-V36 PolarHBondContact O-N 3.19Å; C32-V36 VanDerWaalsContact O-N 3.11Å; S33-V36 PolarHBondContact O-N 3.09Å; H34-V36 VanDerWaalsContact C-N 3.27Å; H34-V36 PolarHBondContact O-N 3.4Å; V36-G39 PolarHBondContact O-N 3.06Å; V36-G39 VanDerWaalsContact O-N 3.1Å; V36-M41 WeakPolarHBondContact CA-O 3.49Å; V36-M41 WeakPolarHBondContact CG2-O 3.45Å; V36-A43 HydrophobicContact CG2-CB 3.99Å; V36-T74 HydrophobicContact CB-CG2 4.27Å; V36-T74 HydrophobicContact CG1-CG2 4.06Å
37E91.1Very high92Very high143 Ų14347.5 Ų47.567%0.66826%0.26SS*.Hα-helixtrans-65.6-38.6175.4-72.7164.6-159.400111.7S33 H34 G39S33-E37 WeakPolarHBondContact O-CB 3.32Å; S33-E37 WeakPolarHBondContact O-CG 3.42Å; S33-E37 PolarHBondContact O-N 3.46Å; H34-E37 PolarHBondContact O-N 3.36Å; E37-G39 PolarHBondContact O-N 3.26Å
38D91.2Very high92.2Very high111 Ų11147.7 Ų47.759%0.59427%0.265SS*.THydrogen-bonded Turntrans-70-7.4173-62.9-24.8000112.8H34 I40H34-D38 WeakPolarHBondContact O-CB 3.22Å; H34-D38 PolarHBondContact O-N 2.95Å; D38-I40 HydrophobicContact CB-CD1 3.81Å; D38-I40 HydrophobicContact CB-CG1 3.94Å; D38-I40 PolarHBondContact O-N 3.01Å
39G88Confident92.3Very high66 Ų6647.9 Ų47.968%0.6827%0.265SS*.THydrogen-bonded Turntrans73.48.1-179.100000115.1V36 E37V36-G39 PolarHBondContact O-N 3.06Å; V36-G39 VanDerWaalsContact O-N 3.1Å; E37-G39 PolarHBondContact O-N 3.26Å
40I90.9Very high92.5Very high67 Ų6746.7 Ų46.734%0.34426%0.26SS..SBendtrans-84.1-23.7-175-57.2170.9000111.6P35 D38 L102 L106P35-I40 PolarHBondContact O-N 2.94Å; D38-I40 HydrophobicContact CB-CD1 3.81Å; D38-I40 HydrophobicContact CB-CG1 3.94Å; D38-I40 PolarHBondContact O-N 3.01Å; I40-L102 HydrophobicContact CG2-CD1 4.24Å; I40-L102 HydrophobicContact CG2-CD2 3.38Å; I40-L102 HydrophobicContact CG2-CG 4.4Å; I40-L106 HydrophobicContact CG2-CD1 4.14Å
41M90.8Very high92.5Very high10 Ų1051.4 Ų51.45%0.04928%0.278CS..  trans-131.5135.9-178.3179.9175.8-65.500112.4M1 P35 V36 Y96 L97 L102 L106M1-M41 HydrophobicContact CE-CE 3.79Å; M1-M41 HydrophobicContact CE-SD 3.42Å; M1-M41 WeakPolarHBondContact CE-SD 3.37Å; M1-M41 HydrophobicContact CG-CE 4.49Å; M1-M41 HydrophobicContact SD-CE 3.51Å; M1-M41 VanDerWaalsContact SD-CE 3.51Å; M1-M41 HydrophobicContact SD-SD 3.94Å; P35-M41 HydrophobicContact CB-CB 3.9Å; P35-M41 HydrophobicContact CG-CB 4.48Å; P35-M41 HydrophobicContact CG-SD 4.4Å; P35-M41 PolarHBondContact O-N 3.16Å; V36-M41 WeakPolarHBondContact CA-O 3.49Å; V36-M41 WeakPolarHBondContact CG2-O 3.45Å; M41-Y96 HydrophobicContact CE-CD1 4.18Å; M41-Y96 HydrophobicContact CE-CE1 3.9Å; M41-Y96 HydrophobicContact CG-CE1 4.19Å; M41-Y96 HydrophobicContact SD-CE1 4.17Å; M41-L97 HydrophobicContact CE-CD2 3.37Å; M41-L102 HydrophobicContact CE-CD1 4.12Å; M41-L106 HydrophobicContact CE-CD1 4.3Å
42N92.1Very high92.6Very high82 Ų8253.7 Ų53.744%0.43929%0.289SS..  trans-91.9122.2166.8-174-10.2000111.2G44 D45 F46N42-G44 PolarHBondContact OD1-N 3.01Å; N42-D45 HydrophobicContact CB-CB 4.08Å; N42-D45 VanDerWaalsContact CB-OD2 3.28Å; N42-D45 WeakPolarHBondContact CB-OD2 3.46Å; N42-D45 VanDerWaalsContact ND2-CG 3.28Å; N42-D45 PolarHBondContact ND2-OD2 2.82Å; N42-F46 PolarHBondContact O-N 3.43Å
43A92.4Very high92.8Very high5 Ų558.6 Ų58.64%0.04131%0.307CS..Hα-helixtrans-70-32.3178.900000113V36 F46 E47 L71V36-A43 HydrophobicContact CG2-CB 3.99Å; A43-F46 PolarHBondContact O-N 3.32Å; A43-E47 PolarHBondContact O-N 3Å; A43-L71 HydrophobicContact CB-CD1 3.76Å; A43-L71 HydrophobicContact CB-CD2 4.42Å
44G94Very high93Very high21 Ų2157.4 Ų57.422%0.21630%0.299CS..Hα-helixtrans-68.3-42.7177.300000112.3N42 F46 E47 N48N42-G44 PolarHBondContact OD1-N 3.01Å; G44-F46 VanDerWaalsContact C-N 3.25Å; G44-F46 PolarHBondContact O-N 3.16Å; G44-E47 WeakPolarHBondContact O-CB 3.4Å; G44-E47 PolarHBondContact O-N 3.37Å; G44-N48 PolarHBondContact O-N 2.83Å; G44-N48 PolarHBondContact O-ND2 3.15Å
45D93.7Very high93.2Very high77 Ų7756.2 Ų56.241%0.41229%0.292SS..Hα-helixtrans-62.8-37.1174.5-66.9-25.2000111.6N42 F49N42-D45 HydrophobicContact CB-CB 4.08Å; N42-D45 VanDerWaalsContact CB-OD2 3.28Å; N42-D45 WeakPolarHBondContact CB-OD2 3.46Å; N42-D45 VanDerWaalsContact ND2-CG 3.28Å; N42-D45 PolarHBondContact ND2-OD2 2.82Å; D45-F49 WeakPolarHBondContact O-CB 3.49Å; D45-F49 PolarHBondContact O-N 3.24Å
46F94.5Very high93.2Very high0 Ų056.4 Ų56.40%029%0.293CS..Hα-helixtrans-69.8-37.1176.3-176.6-127.4000112.2M1 I30 N42 A43 G44 F49 L50 L76 T93 Y96M1-F46 HydrophobicContact CE-CD1 3.87Å; M1-F46 HydrophobicContact CE-CE1 3.71Å; M1-F46 HydrophobicContact CE-CZ 4.24Å; I30-F46 HydrophobicContact CD1-CE1 4.17Å; I30-F46 HydrophobicContact CD1-CZ 4.23Å; I30-F46 HydrophobicContact CG2-CE1 4.14Å; N42-F46 PolarHBondContact O-N 3.43Å; A43-F46 PolarHBondContact O-N 3.32Å; G44-F46 VanDerWaalsContact C-N 3.25Å; G44-F46 PolarHBondContact O-N 3.16Å; F46-F49 HydrophobicContact CD2-CD1 4.39Å; F46-F49 HydrophobicContact CE2-CD1 4.35Å; F46-F49 PolarHBondContact O-N 3.32Å; F46-L50 HydrophobicContact CD2-CG 4.47Å; F46-L50 HydrophobicContact CE1-CD1 3.94Å; F46-L50 HydrophobicContact CE1-CG 4.49Å; F46-L50 HydrophobicContact CE2-CD1 4.25Å; F46-L50 HydrophobicContact CE2-CD2 3.98Å; F46-L50 HydrophobicContact CE2-CG 3.93Å; F46-L50 HydrophobicContact CZ-CD1 3.7Å; F46-L50 HydrophobicContact CZ-CD2 3.97Å; F46-L50 HydrophobicContact CZ-CG 3.88Å; F46-L50 WeakPolarHBondContact O-CG 3.48Å; F46-L50 PolarHBondContact O-N 2.94Å; F46-L76 HydrophobicContact CD1-CD1 3.19Å; F46-L76 HydrophobicContact CE1-CD1 3.44Å; F46-L76 VanDerWaalsContact CE1-CD1 3.44Å; F46-L76 HydrophobicContact CG-CD1 4.17Å; F46-T93 HydrophobicContact CE1-CG2 4.16Å; F46-T93 HydrophobicContact CE2-CG2 4.03Å; F46-T93 HydrophobicContact CZ-CG2 3.34Å; F46-Y96 HydrophobicContact CB-CD1 4.42Å; F46-Y96 HydrophobicContact CB-CE1 3.94Å; F46-Y96 HydrophobicContact CB-CE2 4.43Å; F46-Y96 AromaticContact CD2-CD1 3.51Å; F46-Y96 HydrophobicContact CD2-CD1 3.51Å; F46-Y96 HydrophobicContact CD2-CD2 4.01Å; F46-Y96 AromaticContact CD2-CE1 3.91Å; F46-Y96 HydrophobicContact CD2-CE1 3.91Å; F46-Y96 HydrophobicContact CD2-CE2 4.38Å; F46-Y96 AromaticContact CD2-CG 3.56Å; F46-Y96 HydrophobicContact CD2-CG 3.56Å; F46-Y96 HydrophobicContact CE2-CD1 4.19Å; F46-Y96 HydrophobicContact CE2-CG 4.12Å; F46-Y96 HydrophobicContact CG-CD1 4.18Å; F46-Y96 HydrophobicContact CG-CE1 4.17Å
47E94.8Very high93Very high30 Ų3061.4 Ų61.414%0.1432%0.318CS..Hα-helixtrans-59.5-51.4171.8-169.5-170.3173.400111.6A43 G44 F49 L50 R51 I69 L71 L76A43-E47 PolarHBondContact O-N 3Å; G44-E47 WeakPolarHBondContact O-CB 3.4Å; G44-E47 PolarHBondContact O-N 3.37Å; E47-F49 VanDerWaalsContact C-N 3.31Å; E47-F49 PolarHBondContact O-N 3.38Å; E47-L50 WeakPolarHBondContact O-CB 3.3Å; E47-L50 PolarHBondContact O-N 3.04Å; E47-L50 VanDerWaalsContact O-N 3.09Å; E47-R51 PolarHBondContact O-N 2.77Å; E47-R51 IonicContact OE1-CZ 2.9Å; E47-R51 IonicContact OE1-NE 3.97Å; E47-R51 PolarHBondContact OE1-NE 2.96Å; E47-R51 VanDerWaalsContact OE1-NE 3.12Å; E47-R51 IonicContact OE1-NH2 2.76Å; E47-R51 PolarHBondContact OE1-NH2 2.9Å; E47-I69 HydrophobicContact CG-CG2 3.9Å; E47-L71 WeakPolarHBondContact OE2-CB 3.44Å; E47-L76 HydrophobicContact CB-CD2 3.88Å; E47-L76 HydrophobicContact CG-CD2 3.83Å
48N94.8Very high92.9Very high82 Ų8257.3 Ų57.344%0.43932%0.315SS..Hα-helixtrans-59.2-44.1178.6-71.5-26.6000111.2G44 L50 R51 E52G44-N48 PolarHBondContact O-N 2.83Å; G44-N48 PolarHBondContact O-ND2 3.15Å; N48-L50 VanDerWaalsContact C-N 3.29Å; N48-L50 PolarHBondContact O-N 2.83Å; N48-R51 PolarHBondContact O-N 2.9Å; N48-R51 VanDerWaalsContact O-N 3.16Å; N48-E52 WeakPolarHBondContact O-CG 3.32Å; N48-E52 PolarHBondContact O-N 2.84Å
49F95.6Very high93Very high9 Ų959.4 Ų59.44%0.03932%0.319CS..Hα-helixtrans-57.2-41.5174.9176.3-91.3000112.6D45 F46 E47 R53 L92 K95 Y96 K99D45-F49 WeakPolarHBondContact O-CB 3.49Å; D45-F49 PolarHBondContact O-N 3.24Å; F46-F49 HydrophobicContact CD2-CD1 4.39Å; F46-F49 HydrophobicContact CE2-CD1 4.35Å; F46-F49 PolarHBondContact O-N 3.32Å; E47-F49 VanDerWaalsContact C-N 3.31Å; E47-F49 PolarHBondContact O-N 3.38Å; F49-R53 HydrophobicContact CD1-CG 4.48Å; F49-R53 HydrophobicContact CD2-CG 4.06Å; F49-R53 HydrophobicContact CE1-CB 4.35Å; F49-R53 HydrophobicContact CE1-CG 4.19Å; F49-R53 HydrophobicContact CE2-CG 3.77Å; F49-R53 HydrophobicContact CG-CG 4.42Å; F49-R53 HydrophobicContact CZ-CB 4.4Å; F49-R53 HydrophobicContact CZ-CG 3.84Å; F49-R53 VanDerWaalsContact O-CB 3.23Å; F49-R53 WeakPolarHBondContact O-CB 3.4Å; F49-R53 VanDerWaalsContact O-CG 3.3Å; F49-R53 WeakPolarHBondContact O-CG 3.48Å; F49-R53 PolarHBondContact O-N 2.94Å; F49-L92 HydrophobicContact CE1-CB 4.36Å; F49-L92 WeakPolarHBondContact CE1-O 3.37Å; F49-K95 HydrophobicContact CZ-CB 4.27Å; F49-K95 HydrophobicContact CZ-CD 4.43Å; F49-K95 HydrophobicContact CZ-CG 4.22Å; F49-Y96 HydrophobicContact CB-CD2 3.86Å; F49-Y96 HydrophobicContact CB-CE2 4.19Å; F49-Y96 AromaticContact CD1-CD2 3.95Å; F49-Y96 HydrophobicContact CD1-CD2 3.95Å; F49-Y96 HydrophobicContact CD1-CG 4.26Å; F49-Y96 AromaticContact CD2-CD2 3.87Å; F49-Y96 HydrophobicContact CD2-CD2 3.87Å; F49-Y96 HydrophobicContact CE1-CD2 4.49Å; F49-Y96 HydrophobicContact CE2-CD2 4.39Å; F49-Y96 AromaticContact CG-CD2 3.61Å; F49-Y96 HydrophobicContact CG-CD2 3.61Å; F49-Y96 HydrophobicContact CG-CE2 4.4Å; F49-Y96 HydrophobicContact CG-CG 4.36Å; F49-K99 HydrophobicContact CE2-CD 4.41Å
50L95.5Very high93.2Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-66.9-43.4176.8-70.8179.3000111.5I30 F46 E47 N48 E52 R53 I54 I69 L76 L92I30-L50 HydrophobicContact CD1-CD1 4.19Å; F46-L50 HydrophobicContact CD2-CG 4.47Å; F46-L50 HydrophobicContact CE1-CD1 3.94Å; F46-L50 HydrophobicContact CE1-CG 4.49Å; F46-L50 HydrophobicContact CE2-CD1 4.25Å; F46-L50 HydrophobicContact CE2-CD2 3.98Å; F46-L50 HydrophobicContact CE2-CG 3.93Å; F46-L50 HydrophobicContact CZ-CD1 3.7Å; F46-L50 HydrophobicContact CZ-CD2 3.97Å; F46-L50 HydrophobicContact CZ-CG 3.88Å; F46-L50 WeakPolarHBondContact O-CG 3.48Å; F46-L50 PolarHBondContact O-N 2.94Å; E47-L50 WeakPolarHBondContact O-CB 3.3Å; E47-L50 PolarHBondContact O-N 3.04Å; E47-L50 VanDerWaalsContact O-N 3.09Å; N48-L50 VanDerWaalsContact C-N 3.29Å; N48-L50 PolarHBondContact O-N 2.83Å; L50-E52 VanDerWaalsContact C-N 3.29Å; L50-E52 PolarHBondContact O-N 3.27Å; L50-R53 PolarHBondContact O-N 3.31Å; L50-I54 HydrophobicContact CB-CD1 4Å; L50-I54 HydrophobicContact CD2-CD1 4.48Å; L50-I54 VanDerWaalsContact O-CB 3.26Å; L50-I54 WeakPolarHBondContact O-CB 3.29Å; L50-I54 WeakPolarHBondContact O-CD1 3.44Å; L50-I54 WeakPolarHBondContact O-CG1 3.33Å; L50-I54 PolarHBondContact O-N 3.03Å; L50-I69 HydrophobicContact CB-CD1 4.07Å; L50-L76 HydrophobicContact CD1-CD1 4.17Å; L50-L92 HydrophobicContact CD2-CB 3.88Å; L50-L92 HydrophobicContact CD2-CD1 3.99Å
51R94Very high93Very high99 Ų9960 Ų6037%0.37433%0.326SS..Hα-helixtrans-57.2-42.7177.1-70.7175.8-178.7-84.2-0.7111.7E47 N48 L63 I69E47-R51 PolarHBondContact O-N 2.77Å; E47-R51 IonicContact OE1-CZ 2.9Å; E47-R51 IonicContact OE1-NE 3.97Å; E47-R51 PolarHBondContact OE1-NE 2.96Å; E47-R51 VanDerWaalsContact OE1-NE 3.12Å; E47-R51 IonicContact OE1-NH2 2.76Å; E47-R51 PolarHBondContact OE1-NH2 2.9Å; N48-R51 PolarHBondContact O-N 2.9Å; N48-R51 VanDerWaalsContact O-N 3.16Å; R51-L63 HydrophobicContact CB-CD1 4.11Å; R51-L63 HydrophobicContact CG-CD1 4.33Å; R51-L63 WeakPolarHBondContact O-CD1 3.36Å; R51-I69 HydrophobicContact CG-CD1 3.85Å; R51-I69 PolarHBondContact NH2-O 3.37Å
52E95Very high92.9Very high123 Ų12363.2 Ų63.258%0.57534%0.343SS*.Hα-helixtrans-73.9-37.1179.9-69.3175.3-178.500113.6N48 L50 T60N48-E52 WeakPolarHBondContact O-CG 3.32Å; N48-E52 PolarHBondContact O-N 2.84Å; L50-E52 VanDerWaalsContact C-N 3.29Å; L50-E52 PolarHBondContact O-N 3.27Å; E52-T60 WeakPolarHBondContact O-CB 3.18Å; E52-T60 WeakPolarHBondContact O-CG2 3.26Å
53R96Very high92.6Very high104 Ų10460.5 Ų60.539%0.39233%0.329SS..Hα-helixtrans-98.7-15.8-168.1-66.2-63.6-167146.61114.9F49 L50 K55 Y88 L92F49-R53 HydrophobicContact CD1-CG 4.48Å; F49-R53 HydrophobicContact CD2-CG 4.06Å; F49-R53 HydrophobicContact CE1-CB 4.35Å; F49-R53 HydrophobicContact CE1-CG 4.19Å; F49-R53 HydrophobicContact CE2-CG 3.77Å; F49-R53 HydrophobicContact CG-CG 4.42Å; F49-R53 HydrophobicContact CZ-CB 4.4Å; F49-R53 HydrophobicContact CZ-CG 3.84Å; F49-R53 VanDerWaalsContact O-CB 3.23Å; F49-R53 WeakPolarHBondContact O-CB 3.4Å; F49-R53 VanDerWaalsContact O-CG 3.3Å; F49-R53 WeakPolarHBondContact O-CG 3.48Å; F49-R53 PolarHBondContact O-N 2.94Å; L50-R53 PolarHBondContact O-N 3.31Å; R53-K55 PolarHBondContact O-N 3.36Å; R53-Y88 PolarHBondContact O-OH 3.48Å; R53-L92 HydrophobicContact CB-CD2 3.88Å
54I95.7Very high92.2Very high0 Ų062.9 Ų62.90%035%0.353CS..  trans-67.6131174.1-76.3168.3000109.4L50 L63 I67 I69 F84 Y88 L92L50-I54 HydrophobicContact CB-CD1 4Å; L50-I54 HydrophobicContact CD2-CD1 4.48Å; L50-I54 VanDerWaalsContact O-CB 3.26Å; L50-I54 WeakPolarHBondContact O-CB 3.29Å; L50-I54 WeakPolarHBondContact O-CD1 3.44Å; L50-I54 WeakPolarHBondContact O-CG1 3.33Å; L50-I54 PolarHBondContact O-N 3.03Å; I54-L63 HydrophobicContact CB-CD2 3.94Å; I54-L63 HydrophobicContact CG2-CD2 3.6Å; I54-I67 HydrophobicContact CG2-CD1 3.39Å; I54-I69 HydrophobicContact CD1-CD1 3.66Å; I54-F84 HydrophobicContact CD1-CZ 4.24Å; I54-F84 HydrophobicContact CG1-CZ 4.42Å; I54-F84 HydrophobicContact CG2-CE2 4.1Å; I54-Y88 HydrophobicContact CG2-CE1 4.47Å; I54-L92 HydrophobicContact CD1-CD1 4.47Å; I54-L92 HydrophobicContact CG1-CD1 3.5Å; I54-L92 VanDerWaalsContact CG1-CD1 3.5Å
55K93.4Very high91.8Very high111 Ų11168.7 Ų68.748%0.48338%0.379SS..EExtended strand (participates in β ladder)trans-105135.7177.3-66.8-178.7174.8-163.30110.6R53 K59 T60 Y88R53-K55 PolarHBondContact O-N 3.36Å; K55-K59 VanDerWaalsContact CA-O 3.25Å; K55-K59 WeakPolarHBondContact CA-O 3.49Å; K55-T60 HydrophobicContact CD-CG2 4.4Å; K55-T60 HydrophobicContact CG-CG2 3.59Å; K55-Y88 WeakPolarHBondContact CB-OH 3.25Å; K55-Y88 PolarHBondContact N-OH 2.76Å
56V91.5Very high91.5Very high4 Ų467.6 Ų67.62%0.02437%0.374CS..EExtended strand (participates in β ladder)trans-119.6124.5168.5-177.30000107.2G58 K59 N62 N66 I67V56-G58 PolarHBondContact O-N 3.25Å; V56-K59 PolarHBondContact N-O 3.11Å; V56-K59 PolarHBondContact O-N 2.87Å; V56-N62 HydrophobicContact CB-CB 4.46Å; V56-N62 VanDerWaalsContact CB-O 3.27Å; V56-N62 WeakPolarHBondContact CB-O 3.37Å; V56-N62 VanDerWaalsContact CG2-O 3.3Å; V56-N62 WeakPolarHBondContact CG2-O 3.3Å; V56-N66 HydrophobicContact CG1-CB 4.39Å; V56-I67 HydrophobicContact CG2-CD1 3.45Å; V56-I67 VanDerWaalsContact CG2-CD1 3.45Å; V56-I67 HydrophobicContact CG2-CG1 4.05Å
57N88.6Confident91.4Very high145 Ų14567.9 Ų67.978%0.77538%0.375SS*.THydrogen-bonded Turntrans5340-175.5-58.2-24.2000113.2K59N57-K59 VanDerWaalsContact C-N 3.29Å; N57-K59 PolarHBondContact O-N 3.34Å
58G89.2Confident91.3Very high58 Ų5870.4 Ų70.460%0.59839%0.389SS*.THydrogen-bonded Turntrans83.6-12.3176.600000116V56V56-G58 PolarHBondContact O-N 3.25Å
59K92.4Very high91.3Very high155 Ų15566.9 Ų66.967%0.67437%0.37SS*.EExtended strand (participates in β ladder)trans-107.7140.6-178.8-63-175.6179.7-177.70112.1K55 V56 N57K55-K59 VanDerWaalsContact CA-O 3.25Å; K55-K59 WeakPolarHBondContact CA-O 3.49Å; V56-K59 PolarHBondContact N-O 3.11Å; V56-K59 PolarHBondContact O-N 2.87Å; N57-K59 VanDerWaalsContact C-N 3.29Å; N57-K59 PolarHBondContact O-N 3.34Å
60T92.7Very high91.2Very high78 Ų7871 Ų7148%0.47939%0.389SS..EExtended strand (participates in β ladder)trans-79159169470000110.5E52 K55 N62E52-T60 WeakPolarHBondContact O-CB 3.18Å; E52-T60 WeakPolarHBondContact O-CG2 3.26Å; K55-T60 HydrophobicContact CD-CG2 4.4Å; K55-T60 HydrophobicContact CG-CG2 3.59Å; T60-N62 PolarHBondContact O-N 2.93Å
61G87.1Confident91.2Very high67 Ų6774 Ų7469%0.69141%0.405SS*.SBendtrans77.5-7.6178.700000115.2L63G61-L63 VanDerWaalsContact C-N 3.31Å; G61-L63 PolarHBondContact O-N 2.88Å
62N88.2Confident91.1Very high78 Ų7874.2 Ų74.242%0.41741%0.41SS..  trans-92.846.6178.8-167.739.4000112.6V56 T60V56-N62 HydrophobicContact CB-CB 4.46Å; V56-N62 VanDerWaalsContact CB-O 3.27Å; V56-N62 WeakPolarHBondContact CB-O 3.37Å; V56-N62 VanDerWaalsContact CG2-O 3.3Å; V56-N62 WeakPolarHBondContact CG2-O 3.3Å; T60-N62 PolarHBondContact O-N 2.93Å
63L85.9Confident90.7Very high25 Ų2577.5 Ų77.513%0.13142%0.423CS..  trans-69.3-44.8-178.9-61174.5000111.2R51 I54 G61 N65 N66 I67R51-L63 HydrophobicContact CB-CD1 4.11Å; R51-L63 HydrophobicContact CG-CD1 4.33Å; R51-L63 WeakPolarHBondContact O-CD1 3.36Å; I54-L63 HydrophobicContact CB-CD2 3.94Å; I54-L63 HydrophobicContact CG2-CD2 3.6Å; G61-L63 VanDerWaalsContact C-N 3.31Å; G61-L63 PolarHBondContact O-N 2.88Å; L63-N65 PolarHBondContact O-N 3.23Å; L63-N66 WeakPolarHBondContact O-CB 3.23Å; L63-N66 PolarHBondContact O-N 3.43Å; L63-I67 HydrophobicContact CD2-CB 4.2Å; L63-I67 HydrophobicContact CD2-CD1 4.5Å; L63-I67 HydrophobicContact CD2-CG2 4.41Å; L63-I67 PolarHBondContact O-N 3.31Å
64G82.9Confident90.4Very high54 Ų5474.6 Ų74.656%0.55742%0.417SS*.THydrogen-bonded Turntrans43.9-133.4-179.800000112.3N66G64-N66 VanDerWaalsContact C-N 3.34Å
65N85.8Confident90.3Very high143 Ų14377.7 Ų77.777%0.76543%0.428SS*.THydrogen-bonded Turntrans-91.33.1173.8-60.9-12.8000112.8L63L63-N65 PolarHBondContact O-N 3.23Å
66N88.7Confident90.3Very high55 Ų5572.4 Ų72.429%0.29441%0.405SS..THydrogen-bonded Turntrans-82.3-32.7-173.1-64-46.3000112.4V56 L63 G64 A80 D81 V82V56-N66 HydrophobicContact CG1-CB 4.39Å; L63-N66 WeakPolarHBondContact O-CB 3.23Å; L63-N66 PolarHBondContact O-N 3.43Å; G64-N66 VanDerWaalsContact C-N 3.34Å; N66-A80 WeakPolarHBondContact O-CA 3.41Å; N66-D81 PolarHBondContact O-N 2.94Å; N66-V82 HydrophobicContact CB-CG1 3.81Å; N66-V82 HydrophobicContact CB-CG2 4.11Å
67I92.3Very high90.4Very high5 Ų572.4 Ų72.43%0.02641%0.406CS..EExtended strand (participates in β ladder)trans-135.3118.2-177-58.5-178.5000109I54 V56 L63 I69 V78 T79 A80 V82 F84I54-I67 HydrophobicContact CG2-CD1 3.39Å; V56-I67 HydrophobicContact CG2-CD1 3.45Å; V56-I67 VanDerWaalsContact CG2-CD1 3.45Å; V56-I67 HydrophobicContact CG2-CG1 4.05Å; L63-I67 HydrophobicContact CD2-CB 4.2Å; L63-I67 HydrophobicContact CD2-CD1 4.5Å; L63-I67 HydrophobicContact CD2-CG2 4.41Å; L63-I67 PolarHBondContact O-N 3.31Å; I67-I69 HydrophobicContact CG2-CG1 4.13Å; I67-V78 HydrophobicContact CG2-CG1 4.02Å; I67-T79 CarbonylContact C-O 3.58Å; I67-T79 WeakPolarHBondContact CA-O 3.27Å; I67-A80 HydrophobicContact CG1-CB 4.22Å; I67-V82 HydrophobicContact CD1-CG2 4.37Å; I67-V82 HydrophobicContact CG1-CG2 4.12Å; I67-F84 HydrophobicContact CD1-CD2 3.96Å; I67-F84 HydrophobicContact CD1-CE2 3.82Å
68L92.7Very high90.7Very high84 Ų8465.5 Ų65.544%0.4437%0.369SS..EExtended strand (participates in β ladder)trans-105.7130.2173.4-57.7175000109V78 T79L68-V78 WeakPolarHBondContact O-CA 3.44Å; L68-T79 PolarHBondContact N-O 2.92Å; L68-T79 PolarHBondContact O-N 3.31Å
69I94.2Very high90.8Very high8 Ų863.4 Ų63.44%0.04134%0.344CS..EExtended strand (participates in β ladder)trans-118.9124.3177.3-53.7176000106.8E47 L50 R51 I54 I67 L76 C77 V78E47-I69 HydrophobicContact CG-CG2 3.9Å; L50-I69 HydrophobicContact CB-CD1 4.07Å; R51-I69 HydrophobicContact CG-CD1 3.85Å; R51-I69 PolarHBondContact NH2-O 3.37Å; I54-I69 HydrophobicContact CD1-CD1 3.66Å; I67-I69 HydrophobicContact CG2-CG1 4.13Å; I69-L76 HydrophobicContact CG2-CD2 4.2Å; I69-C77 WeakPolarHBondContact CA-O 3.45Å; I69-V78 HydrophobicContact CG1-CG2 4.49Å
70E94.3Very high90.8Very high95 Ų9556 Ų5644%0.44431%0.312SS..EExtended strand (participates in β ladder)trans-128.1130.2-179.4-63.9174.3172.500109.7L76 C77E70-L76 WeakPolarHBondContact O-CA 3.47Å; E70-C77 HydrophobicContact CB-CB 4.27Å; E70-C77 PolarHBondContact N-O 3.21Å; E70-C77 PolarHBondContact O-N 2.84Å
71L94.6Very high90.6Very high63 Ų6356.1 Ų56.133%0.3331%0.31SS..EExtended strand (participates in β ladder)trans-97.8120.4174.7179.667.2000110.8A43 E47 L76A43-L71 HydrophobicContact CB-CD1 3.76Å; A43-L71 HydrophobicContact CB-CD2 4.42Å; E47-L71 WeakPolarHBondContact OE2-CB 3.44Å; L71-L76 HydrophobicContact CB-CD2 3.82Å; L71-L76 HydrophobicContact CD1-CD2 3.59Å; L71-L76 HydrophobicContact CD1-CG 3.76Å; L71-L76 HydrophobicContact CG-CD2 4.3Å
72Q92.2Very high90.6Very high104 Ų10454.3 Ų54.349%0.48629%0.285SS..EExtended strand (participates in β ladder)trans-11178.1174.4-64.3-178.2-13.500109.5T74 R75Q72-T74 PolarHBondContact O-N 2.83Å; Q72-R75 WeakPolarHBondContact CA-O 3.42Å; Q72-R75 HydrophobicContact CB-CB 4.41Å; Q72-R75 PolarHBondContact N-O 2.85Å; Q72-R75 PolarHBondContact O-N 2.8Å
73K87.3Confident90.5Very high191 Ų19156.9 Ų56.983%0.8331%0.306SS*.THydrogen-bonded Turntrans56.6-70.8-177.3-60.2-176.9178.5-1770114.5
74T89.9Confident90.7Very high43 Ų4356.7 Ų56.726%0.26431%0.305SS..THydrogen-bonded Turntrans-121.2-5.1-178.957.40000113.1C32 V36 Q72C32-T74 WeakPolarHBondContact CA-O 3.46Å; C32-T74 VanDerWaalsContact CB-O 3.3Å; C32-T74 WeakPolarHBondContact CB-O 3.37Å; C32-T74 PolarHBondContact N-O 2.89Å; V36-T74 HydrophobicContact CB-CG2 4.27Å; V36-T74 HydrophobicContact CG1-CG2 4.06Å; Q72-T74 PolarHBondContact O-N 2.83Å
75R92.3Very high91Very high65 Ų6556.7 Ų56.725%0.24530%0.296CS..EExtended strand (participates in β ladder)trans-116.1126.6-178.2-176.7174.8175.1174-8110.8I30 E31 Q72I30-R75 CarbonylContact O-C 3.55Å; I30-R75 WeakPolarHBondContact O-CA 3.4Å; E31-R75 HydrophobicContact CG-CG 4.09Å; E31-R75 IonicContact OE1-CZ 2.69Å; E31-R75 IonicContact OE1-NH1 3.12Å; Q72-R75 WeakPolarHBondContact CA-O 3.42Å; Q72-R75 HydrophobicContact CB-CB 4.41Å; Q72-R75 PolarHBondContact N-O 2.85Å; Q72-R75 PolarHBondContact O-N 2.8Å
76L94.5Very high91.1Very high0 Ų050.8 Ų50.80%026%0.264CS..EExtended strand (participates in β ladder)trans-97.8127.5173.2-78.3163.5000110.4F29 I30 F46 E47 L50 I69 E70 L71F29-L76 CarbonylContact C-O 3.59Å; F29-L76 WeakPolarHBondContact CA-O 3.33Å; I30-L76 HydrophobicContact CB-CB 4.26Å; I30-L76 PolarHBondContact N-O 2.84Å; I30-L76 PolarHBondContact O-N 2.86Å; F46-L76 HydrophobicContact CD1-CD1 3.19Å; F46-L76 HydrophobicContact CE1-CD1 3.44Å; F46-L76 VanDerWaalsContact CE1-CD1 3.44Å; F46-L76 HydrophobicContact CG-CD1 4.17Å; E47-L76 HydrophobicContact CB-CD2 3.88Å; E47-L76 HydrophobicContact CG-CD2 3.83Å; L50-L76 HydrophobicContact CD1-CD1 4.17Å; I69-L76 HydrophobicContact CG2-CD2 4.2Å; E70-L76 WeakPolarHBondContact O-CA 3.47Å; L71-L76 HydrophobicContact CB-CD2 3.82Å; L71-L76 HydrophobicContact CD1-CD2 3.59Å; L71-L76 HydrophobicContact CD1-CG 3.76Å; L71-L76 HydrophobicContact CG-CD2 4.3Å
77C93.5Very high91.3Very high5 Ų558.4 Ų58.43%0.03429%0.288CS..EExtended strand (participates in β ladder)trans-103.3122.5172.6-174.20000108.9F28 F29 I69 E70F28-C77 CarbonylContact O-C 3.55Å; F28-C77 WeakPolarHBondContact O-CA 3.44Å; F29-C77 HydrophobicContact CD1-CB 4.09Å; F29-C77 HydrophobicContact CE1-CB 4.04Å; F29-C77 VanDerWaalsContact CE1-SG 3.52Å; I69-C77 WeakPolarHBondContact CA-O 3.45Å; E70-C77 HydrophobicContact CB-CB 4.27Å; E70-C77 PolarHBondContact N-O 3.21Å; E70-C77 PolarHBondContact O-N 2.84Å
78V93.8Very high91.3Very high0 Ų060.5 Ų60.50%030%0.296CS..EExtended strand (participates in β ladder)trans-113.6107.9173.6-178.40000107.7K27 F28 I67 L68 I69 F84 L89K27-V78 WeakPolarHBondContact CA-O 3.27Å; F28-V78 HydrophobicContact CB-CB 4.38Å; F28-V78 PolarHBondContact N-O 2.97Å; F28-V78 PolarHBondContact O-N 3.42Å; I67-V78 HydrophobicContact CG2-CG1 4.02Å; L68-V78 WeakPolarHBondContact O-CA 3.44Å; I69-V78 HydrophobicContact CG1-CG2 4.49Å; V78-F84 HydrophobicContact CG1-CE1 3.84Å; V78-F84 HydrophobicContact CG1-CZ 4.27Å; V78-L89 HydrophobicContact CB-CD1 4.33Å; V78-L89 HydrophobicContact CG1-CD2 4.47Å; V78-L89 HydrophobicContact CG2-CD1 4.41Å; V78-L89 HydrophobicContact CG2-CD2 4.18Å
79T92.3Very high91.4Very high14 Ų1456.5 Ų56.59%0.08628%0.275CS..EExtended strand (participates in β ladder)trans-99.9126.7174.1-58.10000108.7T25 Q26 K27 I67 L68T25-T79 HydrophobicContact CG2-CG2 3.54Å; Q26-T79 CarbonylContact O-C 3.6Å; Q26-T79 WeakPolarHBondContact O-CA 3.3Å; K27-T79 HydrophobicContact CD-CG2 4.44Å; K27-T79 HydrophobicContact CG-CG2 3.93Å; I67-T79 CarbonylContact C-O 3.58Å; I67-T79 WeakPolarHBondContact CA-O 3.27Å; L68-T79 PolarHBondContact N-O 2.92Å; L68-T79 PolarHBondContact O-N 3.31Å
80A91.8Very high91.3Very high0 Ų059.9 Ų59.90%029%0.29CS..EExtended strand (participates in β ladder)trans-128.7128.6179.700000110.9T25 Q26 N66 I67 F84T25-A80 CarbonylContact C-O 3.52Å; T25-A80 WeakPolarHBondContact CA-O 3.45Å; Q26-A80 PolarHBondContact N-O 3.29Å; Q26-A80 PolarHBondContact O-N 2.81Å; N66-A80 WeakPolarHBondContact O-CA 3.41Å; I67-A80 HydrophobicContact CG1-CB 4.22Å; A80-F84 HydrophobicContact CB-CB 3.52Å; A80-F84 HydrophobicContact CB-CD1 4.19Å; A80-F84 HydrophobicContact CB-CD2 4.49Å; A80-F84 HydrophobicContact CB-CG 3.86Å
81D88.6Confident91.4Very high79 Ų7961.3 Ų61.342%0.42229%0.292SS..SBendtrans-92.3-12.7173.5-71.1-35.6000112.7T25 N66T25-D81 WeakPolarHBondContact CB-OD1 3.49Å; T25-D81 VanDerWaalsContact CG2-OD1 3.25Å; T25-D81 WeakPolarHBondContact CG2-OD1 3.46Å; T25-D81 PolarHBondContact OG1-OD1 3.42Å; N66-D81 PolarHBondContact O-N 2.94Å
82V87.5Confident91.4Very high29 Ų2958.4 Ų58.418%0.17628%0.277CS..SBendtrans-95.6159.7173.9-68.60000110.8N66 I67 F84N66-V82 HydrophobicContact CB-CG1 3.81Å; N66-V82 HydrophobicContact CB-CG2 4.11Å; I67-V82 HydrophobicContact CD1-CG2 4.37Å; I67-V82 HydrophobicContact CG1-CG2 4.12Å; V82-F84 PolarHBondContact O-N 3.18Å
83P86Confident91.5Very high133 Ų13353.5 Ų53.586%0.86425%0.253SS*.SBendtrans-53.2107.8173.2-25.935.2000111.1
84F88.7Confident91.9Very high21 Ų2148.4 Ų48.49%0.09223%0.232CC..  trans-126.2166-179.5-159.3-109.7000108.7Q26 F28 I54 I67 V78 A80 V82 Y88 L89Q26-F84 PolarHBondContact OE1-O 3.12Å; F28-F84 AromaticContact CD2-CD1 3.8Å; F28-F84 HydrophobicContact CD2-CD1 3.8Å; F28-F84 HydrophobicContact CD2-CE1 4.29Å; F28-F84 HydrophobicContact CE2-CB 4.29Å; F28-F84 AromaticContact CE2-CD1 3.58Å; F28-F84 HydrophobicContact CE2-CD1 3.58Å; F28-F84 HydrophobicContact CE2-CE1 4.47Å; F28-F84 HydrophobicContact CE2-CG 4.43Å; F28-F84 HydrophobicContact CZ-CD1 4.45Å; I54-F84 HydrophobicContact CD1-CZ 4.24Å; I54-F84 HydrophobicContact CG1-CZ 4.42Å; I54-F84 HydrophobicContact CG2-CE2 4.1Å; I67-F84 HydrophobicContact CD1-CD2 3.96Å; I67-F84 HydrophobicContact CD1-CE2 3.82Å; V78-F84 HydrophobicContact CG1-CE1 3.84Å; V78-F84 HydrophobicContact CG1-CZ 4.27Å; A80-F84 HydrophobicContact CB-CB 3.52Å; A80-F84 HydrophobicContact CB-CD1 4.19Å; A80-F84 HydrophobicContact CB-CD2 4.49Å; A80-F84 HydrophobicContact CB-CG 3.86Å; V82-F84 PolarHBondContact O-N 3.18Å; F84-Y88 HydrophobicContact CD2-CD1 4.22Å; F84-Y88 AromaticContact CE2-CD1 3.48Å; F84-Y88 HydrophobicContact CE2-CD1 3.48Å; F84-Y88 VanDerWaalsContact CE2-CD1 3.48Å; F84-Y88 AromaticContact CE2-CE1 3.89Å; F84-Y88 HydrophobicContact CE2-CE1 3.89Å; F84-Y88 AromaticContact CZ-CD1 3.86Å; F84-Y88 HydrophobicContact CZ-CD1 3.86Å; F84-Y88 HydrophobicContact CZ-CE1 4.42Å; F84-L89 HydrophobicContact CE1-CD1 3.85Å; F84-L89 HydrophobicContact CE1-CD2 3.67Å; F84-L89 HydrophobicContact CE1-CG 3.54Å; F84-L89 HydrophobicContact CZ-CD2 3.77Å; F84-L89 HydrophobicContact CZ-CG 4.05Å
85S89.1Confident92.2Very high54 Ų5450 Ų5038%0.37824%0.235SC..  trans-148.1145.8-179.668.70000112.1R87 Y88 L89S85-R87 PolarHBondContact O-N 2.96Å; S85-Y88 WeakPolarHBondContact O-CB 3.35Å; S85-Y88 PolarHBondContact O-N 3.46Å; S85-Y88 PolarHBondContact OG-N 3.48Å; S85-L89 PolarHBondContact O-N 2.83Å
86K89.6Confident92.4Very high19 Ų1947.3 Ų47.38%0.08323%0.225CC..Hα-helixtrans-56.7-33.5171.2-178170.9-177172.70112.7I3 F28 Y88 L89 K90 D112 D114I3-K86 HydrophobicContact CB-CG 4.47Å; I3-K86 HydrophobicContact CG2-CD 4.15Å; I3-K86 HydrophobicContact CG2-CG 3.76Å; I3-K86 WeakPolarHBondContact O-CE 3.4Å; I3-K86 PolarHBondContact O-NZ 3.31Å; F28-K86 HydrophobicContact CD1-CB 4.09Å; F28-K86 HydrophobicContact CE1-CB 3.85Å; K86-Y88 PolarHBondContact O-N 3.36Å; K86-L89 PolarHBondContact O-N 2.97Å; K86-K90 WeakPolarHBondContact O-CB 3.28Å; K86-K90 PolarHBondContact O-N 3.24Å; K86-D112 PolarHBondContact NZ-O 2.91Å; K86-D114 HydrophobicContact CB-CB 4.34Å; K86-D114 HydrophobicContact CD-CB 3.88Å; K86-D114 WeakPolarHBondContact CD-OD2 3.07Å; K86-D114 IonicContact NZ-OD2 3.74Å; K86-D114 PolarHBondContact NZ-OD2 3.01Å
87R91.4Very high92.3Very high214 Ų21447.3 Ų47.381%0.80823%0.225SC*.Hα-helixtrans-56.7-41.5175.9-176.4-176-69.4-128.82.2111S85 K90 Y91S85-R87 PolarHBondContact O-N 2.96Å; R87-K90 PolarHBondContact O-N 2.82Å; R87-Y91 PolarHBondContact O-N 3.02Å
88Y93.5Very high92.4Very high50 Ų5054.4 Ų54.420%0.19626%0.255CS..Hα-helixtrans-68.2-42179.6-173.3-145.8000112R53 I54 K55 F84 S85 K86 K90 Y91 L92R53-Y88 PolarHBondContact O-OH 3.48Å; I54-Y88 HydrophobicContact CG2-CE1 4.47Å; K55-Y88 WeakPolarHBondContact CB-OH 3.25Å; K55-Y88 PolarHBondContact N-OH 2.76Å; F84-Y88 HydrophobicContact CD2-CD1 4.22Å; F84-Y88 AromaticContact CE2-CD1 3.48Å; F84-Y88 HydrophobicContact CE2-CD1 3.48Å; F84-Y88 VanDerWaalsContact CE2-CD1 3.48Å; F84-Y88 AromaticContact CE2-CE1 3.89Å; F84-Y88 HydrophobicContact CE2-CE1 3.89Å; F84-Y88 AromaticContact CZ-CD1 3.86Å; F84-Y88 HydrophobicContact CZ-CD1 3.86Å; F84-Y88 HydrophobicContact CZ-CE1 4.42Å; S85-Y88 WeakPolarHBondContact O-CB 3.35Å; S85-Y88 PolarHBondContact O-N 3.46Å; S85-Y88 PolarHBondContact OG-N 3.48Å; K86-Y88 PolarHBondContact O-N 3.36Å; Y88-K90 PolarHBondContact O-N 2.81Å; Y88-Y91 HydrophobicContact CD2-CD1 4.05Å; Y88-Y91 HydrophobicContact CE2-CD1 4.08Å; Y88-Y91 HydrophobicContact CE2-CE1 4.47Å; Y88-Y91 WeakPolarHBondContact O-CB 3.41Å; Y88-Y91 PolarHBondContact O-N 2.79Å; Y88-L92 HydrophobicContact CD2-CD1 4.38Å; Y88-L92 HydrophobicContact CD2-CG 4.2Å; Y88-L92 HydrophobicContact CE1-CD1 4.18Å; Y88-L92 HydrophobicContact CE2-CD1 3.98Å; Y88-L92 HydrophobicContact CE2-CD2 4.06Å; Y88-L92 HydrophobicContact CE2-CG 3.89Å; Y88-L92 WeakPolarHBondContact O-CG 3.38Å; Y88-L92 PolarHBondContact O-N 2.72Å
89L93.3Very high92.4Very high0 Ų061 Ų610%028%0.284CS..Hα-helixtrans-62.3-40.3172.4-68.1177.1000112.7I3 F28 I30 V78 F84 S85 K86 Y91 L92 T93I3-L89 HydrophobicContact CD1-CB 4.44Å; F28-L89 HydrophobicContact CB-CD1 3.38Å; F28-L89 HydrophobicContact CD1-CD1 4.3Å; F28-L89 HydrophobicContact CD2-CD1 4.14Å; F28-L89 HydrophobicContact CG-CD1 3.68Å; I30-L89 HydrophobicContact CD1-CB 4.42Å; I30-L89 HydrophobicContact CD1-CD1 4.31Å; I30-L89 HydrophobicContact CD1-CD2 4.31Å; V78-L89 HydrophobicContact CB-CD1 4.33Å; V78-L89 HydrophobicContact CG1-CD2 4.47Å; V78-L89 HydrophobicContact CG2-CD1 4.41Å; V78-L89 HydrophobicContact CG2-CD2 4.18Å; F84-L89 HydrophobicContact CE1-CD1 3.85Å; F84-L89 HydrophobicContact CE1-CD2 3.67Å; F84-L89 HydrophobicContact CE1-CG 3.54Å; F84-L89 HydrophobicContact CZ-CD2 3.77Å; F84-L89 HydrophobicContact CZ-CG 4.05Å; S85-L89 PolarHBondContact O-N 2.83Å; K86-L89 PolarHBondContact O-N 2.97Å; L89-Y91 VanDerWaalsContact C-N 3.28Å; L89-Y91 PolarHBondContact O-N 2.84Å; L89-L92 PolarHBondContact O-N 2.91Å; L89-T93 WeakPolarHBondContact O-CB 3.49Å; L89-T93 VanDerWaalsContact O-CG2 3.32Å; L89-T93 WeakPolarHBondContact O-CG2 3.16Å; L89-T93 PolarHBondContact O-N 3Å; L89-T93 PolarHBondContact O-OG1 2.91Å
90K93.5Very high92.4Very high79 Ų7964.5 Ų64.534%0.34330%0.299SS..Hα-helixtrans-63.2-35.7174.9-172.1174.2-176.4175.10112.1I3 K86 R87 Y88 T93 K94 V108I3-K90 HydrophobicContact CD1-CB 4.03Å; K86-K90 WeakPolarHBondContact O-CB 3.28Å; K86-K90 PolarHBondContact O-N 3.24Å; R87-K90 PolarHBondContact O-N 2.82Å; Y88-K90 PolarHBondContact O-N 2.81Å; K90-T93 VanDerWaalsContact C-OG1 3.3Å; K90-T93 VanDerWaalsContact CA-OG1 3.27Å; K90-T93 WeakPolarHBondContact CA-OG1 3.49Å; K90-T93 PolarHBondContact O-OG1 3.35Å; K90-K94 WeakPolarHBondContact O-CB 3.5Å; K90-K94 VanDerWaalsContact O-CG 3.28Å; K90-K94 WeakPolarHBondContact O-CG 3.01Å; K90-K94 PolarHBondContact O-N 2.86Å; K90-V108 HydrophobicContact CG-CG1 4.21Å
91Y95.5Very high92.4Very high124 Ų12468 Ų6849%0.48633%0.328SS..Hα-helixtrans-66.6-49173.3164.5-98.2000111.4R87 Y88 L89 K94 K95R87-Y91 PolarHBondContact O-N 3.02Å; Y88-Y91 HydrophobicContact CD2-CD1 4.05Å; Y88-Y91 HydrophobicContact CE2-CD1 4.08Å; Y88-Y91 HydrophobicContact CE2-CE1 4.47Å; Y88-Y91 WeakPolarHBondContact O-CB 3.41Å; Y88-Y91 PolarHBondContact O-N 2.79Å; L89-Y91 VanDerWaalsContact C-N 3.28Å; L89-Y91 PolarHBondContact O-N 2.84Å; Y91-K94 PolarHBondContact O-N 3.25Å; Y91-K95 HydrophobicContact CE1-CD 4.26Å; Y91-K95 WeakPolarHBondContact O-CB 3.38Å; Y91-K95 PolarHBondContact O-N 3.44Å; Y91-K95 PolarHBondContact OH-NZ 2.9Å
92L95.7Very high92.6Very high3 Ų365.3 Ų65.32%0.01631%0.314CS..Hα-helixtrans-64.5-44.9-178.6-70.4177.9000112.6F49 L50 R53 I54 Y88 L89 K94 K95 Y96F49-L92 HydrophobicContact CE1-CB 4.36Å; F49-L92 WeakPolarHBondContact CE1-O 3.37Å; L50-L92 HydrophobicContact CD2-CB 3.88Å; L50-L92 HydrophobicContact CD2-CD1 3.99Å; R53-L92 HydrophobicContact CB-CD2 3.88Å; I54-L92 HydrophobicContact CD1-CD1 4.47Å; I54-L92 HydrophobicContact CG1-CD1 3.5Å; I54-L92 VanDerWaalsContact CG1-CD1 3.5Å; Y88-L92 HydrophobicContact CD2-CD1 4.38Å; Y88-L92 HydrophobicContact CD2-CG 4.2Å; Y88-L92 HydrophobicContact CE1-CD1 4.18Å; Y88-L92 HydrophobicContact CE2-CD1 3.98Å; Y88-L92 HydrophobicContact CE2-CD2 4.06Å; Y88-L92 HydrophobicContact CE2-CG 3.89Å; Y88-L92 WeakPolarHBondContact O-CG 3.38Å; Y88-L92 PolarHBondContact O-N 2.72Å; L89-L92 PolarHBondContact O-N 2.91Å; L92-K94 VanDerWaalsContact C-N 3.35Å; L92-K94 PolarHBondContact O-N 2.96Å; L92-K95 WeakPolarHBondContact O-CB 3.33Å; L92-K95 PolarHBondContact O-N 3.04Å; L92-K95 VanDerWaalsContact O-N 3.11Å; L92-Y96 PolarHBondContact O-N 3.26Å
93T94.7Very high92.7Very high0 Ų069.3 Ų69.30%033%0.326CS..Hα-helixtrans-55.7-48.217345.80000111.4I3 I30 F46 L89 K90 K95 Y96 L97I3-T93 HydrophobicContact CD1-CG2 4.2Å; I30-T93 HydrophobicContact CD1-CG2 4.21Å; I30-T93 HydrophobicContact CG2-CG2 4.45Å; F46-T93 HydrophobicContact CE1-CG2 4.16Å; F46-T93 HydrophobicContact CE2-CG2 4.03Å; F46-T93 HydrophobicContact CZ-CG2 3.34Å; L89-T93 WeakPolarHBondContact O-CB 3.49Å; L89-T93 VanDerWaalsContact O-CG2 3.32Å; L89-T93 WeakPolarHBondContact O-CG2 3.16Å; L89-T93 PolarHBondContact O-N 3Å; L89-T93 PolarHBondContact O-OG1 2.91Å; K90-T93 VanDerWaalsContact C-OG1 3.3Å; K90-T93 VanDerWaalsContact CA-OG1 3.27Å; K90-T93 WeakPolarHBondContact CA-OG1 3.49Å; K90-T93 PolarHBondContact O-OG1 3.35Å; T93-K95 VanDerWaalsContact C-N 3.28Å; T93-K95 PolarHBondContact O-N 3.24Å; T93-Y96 WeakPolarHBondContact O-CB 3Å; T93-Y96 PolarHBondContact O-N 3.21Å; T93-L97 WeakPolarHBondContact O-CG 3.5Å; T93-L97 PolarHBondContact O-N 3.32Å
94K95.1Very high92.8Very high85 Ų8570 Ų7037%0.3732%0.322SS..Hα-helixtrans-61.9-35176.2-80.7-177.5172.5-166.30113.2K90 Y91 L92 K98 V108K90-K94 WeakPolarHBondContact O-CB 3.5Å; K90-K94 VanDerWaalsContact O-CG 3.28Å; K90-K94 WeakPolarHBondContact O-CG 3.01Å; K90-K94 PolarHBondContact O-N 2.86Å; Y91-K94 PolarHBondContact O-N 3.25Å; L92-K94 VanDerWaalsContact C-N 3.35Å; L92-K94 PolarHBondContact O-N 2.96Å; K94-K98 PolarHBondContact O-N 2.88Å; K94-K98 VanDerWaalsContact O-N 3.16Å; K94-V108 HydrophobicContact CG-CG2 4.12Å
95K96.1Very high92.8Very high77 Ų7778.7 Ų78.734%0.33536%0.355SS..Hα-helixtrans-68.8-42.3176.5-171.1174.9-172.51690111.2F49 Y91 L92 T93 K98 K99F49-K95 HydrophobicContact CZ-CB 4.27Å; F49-K95 HydrophobicContact CZ-CD 4.43Å; F49-K95 HydrophobicContact CZ-CG 4.22Å; Y91-K95 HydrophobicContact CE1-CD 4.26Å; Y91-K95 WeakPolarHBondContact O-CB 3.38Å; Y91-K95 PolarHBondContact O-N 3.44Å; Y91-K95 PolarHBondContact OH-NZ 2.9Å; L92-K95 WeakPolarHBondContact O-CB 3.33Å; L92-K95 PolarHBondContact O-N 3.04Å; L92-K95 VanDerWaalsContact O-N 3.11Å; T93-K95 VanDerWaalsContact C-N 3.28Å; T93-K95 PolarHBondContact O-N 3.24Å; K95-K98 PolarHBondContact O-N 2.74Å; K95-K99 PolarHBondContact O-N 3.42Å
96Y95.6Very high92.9Very high7 Ų777.4 Ų77.43%0.02734%0.343CS..Hα-helixtrans-59.8-49.3173.2178.9-105.5000111.7M41 F46 F49 L92 T93 K98 K99 Q100M41-Y96 HydrophobicContact CE-CD1 4.18Å; M41-Y96 HydrophobicContact CE-CE1 3.9Å; M41-Y96 HydrophobicContact CG-CE1 4.19Å; M41-Y96 HydrophobicContact SD-CE1 4.17Å; F46-Y96 HydrophobicContact CB-CD1 4.42Å; F46-Y96 HydrophobicContact CB-CE1 3.94Å; F46-Y96 HydrophobicContact CB-CE2 4.43Å; F46-Y96 AromaticContact CD2-CD1 3.51Å; F46-Y96 HydrophobicContact CD2-CD1 3.51Å; F46-Y96 HydrophobicContact CD2-CD2 4.01Å; F46-Y96 AromaticContact CD2-CE1 3.91Å; F46-Y96 HydrophobicContact CD2-CE1 3.91Å; F46-Y96 HydrophobicContact CD2-CE2 4.38Å; F46-Y96 AromaticContact CD2-CG 3.56Å; F46-Y96 HydrophobicContact CD2-CG 3.56Å; F46-Y96 HydrophobicContact CE2-CD1 4.19Å; F46-Y96 HydrophobicContact CE2-CG 4.12Å; F46-Y96 HydrophobicContact CG-CD1 4.18Å; F46-Y96 HydrophobicContact CG-CE1 4.17Å; F49-Y96 HydrophobicContact CB-CD2 3.86Å; F49-Y96 HydrophobicContact CB-CE2 4.19Å; F49-Y96 AromaticContact CD1-CD2 3.95Å; F49-Y96 HydrophobicContact CD1-CD2 3.95Å; F49-Y96 HydrophobicContact CD1-CG 4.26Å; F49-Y96 AromaticContact CD2-CD2 3.87Å; F49-Y96 HydrophobicContact CD2-CD2 3.87Å; F49-Y96 HydrophobicContact CE1-CD2 4.49Å; F49-Y96 HydrophobicContact CE2-CD2 4.39Å; F49-Y96 AromaticContact CG-CD2 3.61Å; F49-Y96 HydrophobicContact CG-CD2 3.61Å; F49-Y96 HydrophobicContact CG-CE2 4.4Å; F49-Y96 HydrophobicContact CG-CG 4.36Å; L92-Y96 PolarHBondContact O-N 3.26Å; T93-Y96 WeakPolarHBondContact O-CB 3Å; T93-Y96 PolarHBondContact O-N 3.21Å; Y96-K98 PolarHBondContact O-N 2.67Å; Y96-K99 WeakPolarHBondContact O-CA 3.35Å; Y96-K99 WeakPolarHBondContact O-CB 3.47Å; Y96-K99 PolarHBondContact O-N 3.49Å; Y96-Q100 HydrophobicContact CD2-CG 4.4Å; Y96-Q100 HydrophobicContact CE1-CG 4.13Å; Y96-Q100 HydrophobicContact CE2-CG 3.93Å; Y96-Q100 PolarHBondContact O-N 2.81Å
97L94.1Very high93Very high1 Ų186.5 Ų86.51%0.00538%0.377CS..Hα-helixtrans-59-35177.8-68.4176000112.5M1 M41 T93 A101 L102 R103 L106 V108M1-L97 HydrophobicContact SD-CD1 4.46Å; M1-L97 HydrophobicContact SD-CD2 4.28Å; M41-L97 HydrophobicContact CE-CD2 3.37Å; T93-L97 WeakPolarHBondContact O-CG 3.5Å; T93-L97 PolarHBondContact O-N 3.32Å; L97-A101 PolarHBondContact O-N 2.94Å; L97-L102 HydrophobicContact CB-CB 4.39Å; L97-L102 HydrophobicContact CD2-CB 3.75Å; L97-L102 HydrophobicContact CD2-CD1 3.99Å; L97-L102 PolarHBondContact O-N 3.18Å; L97-R103 HydrophobicContact CB-CG 4.43Å; L97-L106 HydrophobicContact CD1-CB 4.27Å; L97-L106 HydrophobicContact CD2-CB 4.04Å; L97-L106 HydrophobicContact CD2-CD1 4.14Å; L97-V108 HydrophobicContact CD1-CG2 3.6Å
98K94.6Very high93Very high153 Ų15376.7 Ų76.767%0.66534%0.341SS*.Hα-helixtrans-70.5-39.1174.2-177.260.9180176.30112K94 K95 Y96 Q100 A101 R103K94-K98 PolarHBondContact O-N 2.88Å; K94-K98 VanDerWaalsContact O-N 3.16Å; K95-K98 PolarHBondContact O-N 2.74Å; Y96-K98 PolarHBondContact O-N 2.67Å; K98-Q100 VanDerWaalsContact C-N 3.27Å; K98-Q100 PolarHBondContact O-N 3.39Å; K98-A101 PolarHBondContact O-N 3.3Å; K98-R103 HydrophobicContact CB-CG 3.96Å; K98-R103 HydrophobicContact CD-CG 4.02Å
99K93.9Very high92.9Very high140 Ų14078 Ų7861%0.60935%0.354SS*.Hα-helixtrans-60.3-39176.5-171.2-172.1177.1-162.80111.5F49 K95 Y96F49-K99 HydrophobicContact CE2-CD 4.41Å; K95-K99 PolarHBondContact O-N 3.42Å; Y96-K99 WeakPolarHBondContact O-CA 3.35Å; Y96-K99 WeakPolarHBondContact O-CB 3.47Å; Y96-K99 PolarHBondContact O-N 3.49Å
100Q92.7Very high92.5Very high86 Ų8680 Ų8040%0.40237%0.37SS..THydrogen-bonded Turntrans-91.610.5179.4-58.1-61.1-0.900114Y96 K98 L102Y96-Q100 HydrophobicContact CD2-CG 4.4Å; Y96-Q100 HydrophobicContact CE1-CG 4.13Å; Y96-Q100 HydrophobicContact CE2-CG 3.93Å; Y96-Q100 PolarHBondContact O-N 2.81Å; K98-Q100 VanDerWaalsContact C-N 3.27Å; K98-Q100 PolarHBondContact O-N 3.39Å; Q100-L102 HydrophobicContact CB-CD1 3.99Å; Q100-L102 HydrophobicContact CB-CG 3.89Å; Q100-L102 WeakPolarHBondContact O-CG 3.47Å; Q100-L102 PolarHBondContact O-N 3.15Å; Q100-L102 VanDerWaalsContact O-N 3.09Å
101A92Very high92Very high75 Ų7580.9 Ų80.962%0.6238%0.379SS*.THydrogen-bonded Turntrans5622.3-177.300000115.9L97 K98 R103L97-A101 PolarHBondContact O-N 2.94Å; K98-A101 PolarHBondContact O-N 3.3Å; A101-R103 VanDerWaalsContact C-N 3.3Å; A101-R103 PolarHBondContact O-N 3.13Å
102L91.4Very high91.1Very high22 Ų2278.4 Ų78.412%0.11537%0.374CS..THydrogen-bonded Turntrans-86.910-177.5-62.8-179.1000114.2I40 M41 L97 Q100 D104 W105 L106I40-L102 HydrophobicContact CG2-CD1 4.24Å; I40-L102 HydrophobicContact CG2-CD2 3.38Å; I40-L102 HydrophobicContact CG2-CG 4.4Å; M41-L102 HydrophobicContact CE-CD1 4.12Å; L97-L102 HydrophobicContact CB-CB 4.39Å; L97-L102 HydrophobicContact CD2-CB 3.75Å; L97-L102 HydrophobicContact CD2-CD1 3.99Å; L97-L102 PolarHBondContact O-N 3.18Å; Q100-L102 HydrophobicContact CB-CD1 3.99Å; Q100-L102 HydrophobicContact CB-CG 3.89Å; Q100-L102 WeakPolarHBondContact O-CG 3.47Å; Q100-L102 PolarHBondContact O-N 3.15Å; Q100-L102 VanDerWaalsContact O-N 3.09Å; L102-D104 VanDerWaalsContact C-N 3.31Å; L102-D104 PolarHBondContact O-N 2.97Å; L102-W105 PolarHBondContact O-N 2.78Å; L102-L106 HydrophobicContact CB-CD1 4.13Å; L102-L106 HydrophobicContact CD1-CD1 3.98Å; L102-L106 HydrophobicContact CG-CD1 4.48Å; L102-L106 WeakPolarHBondContact O-CB 3.25Å; L102-L106 PolarHBondContact O-N 3.21Å
103R89.7Confident89.9Confident112 Ų11288.8 Ų88.842%0.42342%0.419SS..THydrogen-bonded Turntrans-69.3-27.5-170.4-78.9-67.4-60.2-129.6-10.1114.4L97 K98 A101 W105L97-R103 HydrophobicContact CB-CG 4.43Å; K98-R103 HydrophobicContact CB-CG 3.96Å; K98-R103 HydrophobicContact CD-CG 4.02Å; A101-R103 VanDerWaalsContact C-N 3.3Å; A101-R103 PolarHBondContact O-N 3.13Å; R103-W105 VanDerWaalsContact C-N 3.34Å
104D89.4Confident88.1Confident149 Ų14993.1 Ų93.180%0.79744%0.442SS*.THydrogen-bonded Turntrans-84.2-21.7-176.4-52.6-29.9000110.8L102L102-D104 VanDerWaalsContact C-N 3.31Å; L102-D104 PolarHBondContact O-N 2.97Å
105W87.7Confident87.8Confident203 Ų20393.6 Ų93.677%0.76945%0.446SS*.THydrogen-bonded Turntrans-102.6-35.5-173.9-5959.7000111.8L102 R103L102-W105 PolarHBondContact O-N 2.78Å; R103-W105 VanDerWaalsContact C-N 3.34Å
106L91.4Very high87.3Confident27 Ų2794.4 Ų94.414%0.14145%0.451CS..  trans-119.2128-170.4-77.4161.5000113.4P35 I40 M41 L97 L102P35-L106 HydrophobicContact CB-CD1 3.84Å; P35-L106 HydrophobicContact CB-CD2 3.8Å; P35-L106 HydrophobicContact CB-CG 4.5Å; P35-L106 HydrophobicContact CG-CD2 4.33Å; I40-L106 HydrophobicContact CG2-CD1 4.14Å; M41-L106 HydrophobicContact CE-CD1 4.3Å; L97-L106 HydrophobicContact CD1-CB 4.27Å; L97-L106 HydrophobicContact CD2-CB 4.04Å; L97-L106 HydrophobicContact CD2-CD1 4.14Å; L102-L106 HydrophobicContact CB-CD1 4.13Å; L102-L106 HydrophobicContact CD1-CD1 3.98Å; L102-L106 HydrophobicContact CG-CD1 4.48Å; L102-L106 WeakPolarHBondContact O-CB 3.25Å; L102-L106 PolarHBondContact O-N 3.21Å
107R90.7Very high86.8Confident210 Ų21099.3 Ų99.379%0.79248%0.475SS*.  trans-109.6139.9171.7-170.4168.2173.1149.2-5.8111.6M1M1-R107 PolarHBondContact N-O 2.92Å
108V91.8Very high86.4Confident7 Ų7105.1 Ų105.14%0.04250%0.503CS..  trans-89.7115.7172.5-173.90000109.2I3 K90 K94 L97I3-V108 HydrophobicContact CD1-CG1 3.54Å; I3-V108 HydrophobicContact CG1-CG1 3.91Å; K90-V108 HydrophobicContact CG-CG1 4.21Å; K94-V108 HydrophobicContact CG-CG2 4.12Å; L97-V108 HydrophobicContact CD1-CG2 3.6Å
109V91.3Very high85.9Confident77 Ų77102.1 Ų102.147%0.46749%0.492SS..EExtended strand (participates in β ladder)trans-105147.8-179.8-176.50000109.4M1 A2 I3M1-V109 PolarHBondContact O-N 3.2Å; A2-V109 CarbonylContact C-O 3.59Å; A2-V109 WeakPolarHBondContact CA-O 3.38Å; I3-V109 PolarHBondContact N-O 3.14Å
110A85.7Confident85.4Confident43 Ų4399.5 Ų99.536%0.35549%0.485SS..EExtended strand (participates in β ladder)trans-106.6123172.800000108.8I3I3-A110 WeakPolarHBondContact O-CA 3.47Å
111L82.2Confident84.9Confident98 Ų98100.5 Ų100.551%0.51349%0.491SS..SBendtrans-45.1-75168.361.362.7000112.6A2 I3 K4A2-L111 HydrophobicContact CB-CD1 3.93Å; A2-L111 HydrophobicContact CB-CD2 4.2Å; A2-L111 HydrophobicContact CB-CG 3.83Å; I3-L111 PolarHBondContact O-N 3.21Å; K4-L111 HydrophobicContact CB-CD1 4.27Å; K4-L111 HydrophobicContact CD-CD1 4.43Å
112D77.9Confident84.3Confident72 Ų72102.5 Ų102.539%0.38548%0.481SS..SBendtrans-111.7156.7-172.4-61.5-55.7000109.8K4 K86 D114K4-D112 WeakPolarHBondContact CD-OD2 3.44Å; K4-D112 WeakPolarHBondContact CE-OD2 3.49Å; K4-D112 IonicContact NZ-OD2 3.34Å; K4-D112 PolarHBondContact NZ-OD2 3.3Å; K86-D112 PolarHBondContact NZ-O 2.91Å; D112-D114 PolarHBondContact O-N 2.7Å
113K69.7Low83.7Confident221 Ų221109.2 Ų109.296%0.96151%0.511SS*.  trans-72113.7166.4-65.2178-179.1175.60106.9
114D57Low83.2Confident91 Ų91108.9 Ų108.949%0.48752%0.519SS..  trans-107.50167.9-71-78.4000110.6G5 R7 K86 D112G5-D114 WeakPolarHBondContact CA-OD2 3.28Å; G5-D114 PolarHBondContact N-OD2 2.82Å; R7-D114 PolarHBondContact NH2-OXT 3.02Å; K86-D114 HydrophobicContact CB-CB 4.34Å; K86-D114 HydrophobicContact CD-CB 3.88Å; K86-D114 WeakPolarHBondContact CD-OD2 3.07Å; K86-D114 IonicContact NZ-OD2 3.74Å; K86-D114 PolarHBondContact NZ-OD2 3.01Å; D112-D114 PolarHBondContact O-N 2.7Å

Retrieved 114 of 114 residues in 120.4 ms (Link to these results)

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