A0A077YXU1_TRITR Loading...

Eukaryotic translation initiation factor 2A

AlphaFold DB , UniProt , Accession A0A077YXU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M40.8Very low42.3Very low242 Ų242147.3 Ų147.3100%1.19283%0.831SS**  099.40-69.2177179.900107.6G3M1-G3 PolarHBondContact O-N 3.5Å
2Y38.7Very low42.6Very low240 Ų240143.3 Ų143.394%0.94181%0.812SS**  trans-81.6105.1172.4-78.7-82.4000107.3G4Y2-G4 PolarHBondContact O-N 3.33Å; Y2-G4 VanDerWaalsContact O-N 3.13Å
3G38Very low42.3Very low71 Ų71138.6 Ų138.673%0.73278%0.779SS**  trans-57.1115.5174.600000109.3M1 L5M1-G3 PolarHBondContact O-N 3.5Å; G3-L5 PolarHBondContact O-N 3.08Å
4G44.5Very low42.4Very low77 Ų77131.6 Ų131.679%0.79474%0.739SS**  trans-64.4104.7178.800000109.8Y2Y2-G4 PolarHBondContact O-N 3.33Å; Y2-G4 VanDerWaalsContact O-N 3.13Å
5L43.8Very low42.9Very low156 Ų156131.1 Ų131.182%0.81773%0.726SS**PPolyproline II helixtrans-61.6137.9167.6-77.4163.8000108.6G3 V7G3-L5 PolarHBondContact O-N 3.08Å; L5-V7 PolarHBondContact O-N 3.17Å
6P47Very low43.3Very low116 Ų116127.1 Ų127.175%0.75370%0.696SS**PPolyproline II helixtrans-62.2125.4-179.723.8-31.4000109.9
7V45.7Very low43.6Very low124 Ų124126 Ų12675%0.75269%0.694SS**PPolyproline II helixtrans-63.8128.6175.6-1770000108.2L5 Q9L5-V7 PolarHBondContact O-N 3.17Å; V7-Q9 PolarHBondContact O-N 3.03Å; V7-Q9 VanDerWaalsContact O-N 3.14Å
8P45.6Very low43.8Very low123 Ų123122.3 Ų122.380%0.79967%0.671SS**PPolyproline II helixtrans-61.4119.8177.523.7-31.8000109.7
9Q37.7Very low43.7Very low186 Ų186126.8 Ų126.887%0.86968%0.683SS**PPolyproline II helixtrans-83.4126.7174.8-69.4-171.1-9.500109.8V7 L11V7-Q9 PolarHBondContact O-N 3.03Å; V7-Q9 VanDerWaalsContact O-N 3.14Å; Q9-L11 PolarHBondContact O-N 3.13Å
10L44.9Very low43.5Very low158 Ų158126.1 Ų126.183%0.82770%0.695SS**  trans-76.1106.4167.4-176.473.8000108
11L38.5Very low43.9Very low127 Ų127121 Ų12167%0.66567%0.669SS**  trans-88.6114.1174.8-171.467.1000109.3Q9 E13Q9-L11 PolarHBondContact O-N 3.13Å; L11-E13 HydrophobicContact CD2-CG 3.66Å; L11-E13 WeakPolarHBondContact CD2-OE1 3.4Å; L11-E13 HydrophobicContact CG-CG 3.72Å; L11-E13 PolarHBondContact O-N 3.11Å
12V45.9Very low44.5Very low100 Ų100111.8 Ų111.861%0.60663%0.632SS**  trans-88100172.5-178.80000107.4
13E39.2Very low45.4Very low82 Ų82101.7 Ų101.738%0.38360%0.596SS.*  trans-87.3-23.2-176.8-68.1-162.8161.700113.2L11 H58 V77L11-E13 HydrophobicContact CD2-CG 3.66Å; L11-E13 WeakPolarHBondContact CD2-OE1 3.4Å; L11-E13 HydrophobicContact CG-CG 3.72Å; L11-E13 PolarHBondContact O-N 3.11Å; E13-H58 IonicContact OE2-ND1 3.96Å; E13-V77 WeakPolarHBondContact OE2-CB 2.86Å
14N42.7Very low46.5Very low40 Ų40100.1 Ų100.121%0.21458%0.58CS.*  trans-152.7138.1-170.4-72.6-73.2000114.8I74 I75N14-I74 HydrophobicContact CB-CG2 3.89Å; N14-I75 WeakPolarHBondContact CB-O 3.36Å; N14-I75 VanDerWaalsContact CG-C 3.45Å; N14-I75 VanDerWaalsContact ND2-C 3.3Å; N14-I75 PolarHBondContact ND2-O 2.85Å; N14-I75 PolarHBondContact OD1-O 2.91Å
15K51Low47.3Very low125 Ų12597.6 Ų97.654%0.54355%0.551SS.*  trans-120.4123176-177.1179.7-179.9-179.60109.6T17 I74K15-T17 HydrophobicContact CG-CG2 4.38Å; K15-I74 WeakPolarHBondContact O-CD1 3.44Å
16W49.6Very low48.5Very low67 Ų6791.4 Ų91.425%0.25452%0.52SS..  trans-100.6129176.7-6471.6000109.3F48 F61 I74 I75W16-F48 HydrophobicContact CE3-CD1 4.4Å; W16-F48 AromaticContact CE3-CE1 3.78Å; W16-F48 HydrophobicContact CE3-CE1 3.78Å; W16-F48 HydrophobicContact CE3-CZ 4.32Å; W16-F48 AromaticContact CH2-CD1 3.77Å; W16-F48 HydrophobicContact CH2-CD1 3.77Å; W16-F48 AromaticContact CH2-CE1 3.99Å; W16-F48 HydrophobicContact CH2-CE1 3.99Å; W16-F48 AromaticContact CZ3-CD1 3.63Å; W16-F48 HydrophobicContact CZ3-CD1 3.63Å; W16-F48 AromaticContact CZ3-CE1 3.37Å; W16-F48 HydrophobicContact CZ3-CE1 3.37Å; W16-F48 HydrophobicContact CZ3-CZ 4.31Å; W16-F61 HydrophobicContact CH2-CB 4.13Å; W16-F61 HydrophobicContact CZ2-CB 4.3Å; W16-I74 HydrophobicContact CD2-CB 4.03Å; W16-I74 HydrophobicContact CD2-CG2 4.19Å; W16-I74 HydrophobicContact CE3-CB 4.23Å; W16-I74 HydrophobicContact CG-CG2 4.3Å; W16-I74 WeakPolarHBondContact CH2-O 3.5Å; W16-I74 HydrophobicContact CZ2-CB 4.34Å; W16-I74 WeakPolarHBondContact CZ2-O 2.88Å; W16-I74 HydrophobicContact CZ3-CB 4.45Å; W16-I75 PolarHBondContact NE1-O 2.9Å
17T48.5Very low49.6Very low108 Ų10887.4 Ų87.466%0.66350%0.496SS*.  trans-126.9106.4173.9540000109.2K15K15-T17 HydrophobicContact CG-CG2 4.38Å
18E47.1Very low51Low59 Ų5984.3 Ų84.328%0.27647%0.473SS..  trans-88.2151.1161.9-18.2-179.7-176.500108.3A20 S37 I46E18-A20 PolarHBondContact O-N 3.28Å; E18-S37 PolarHBondContact OE1-OG 3.35Å; E18-I46 HydrophobicContact CG-CD1 4.48Å; E18-I46 WeakPolarHBondContact OE1-CD1 3.42Å; E18-I46 WeakPolarHBondContact OE2-CD1 2.98Å
19K41.9Very low52.2Low208 Ų20879.5 Ų79.590%0.90444%0.442SS*.THydrogen-bonded Turntrans-44.5105.1-179.9-115177.2177.1175.70111.6S21K19-S21 VanDerWaalsContact C-N 3.29Å; K19-S21 PolarHBondContact O-N 3.37Å
20A39.6Very low53.4Low112 Ų11275.9 Ų75.993%0.92644%0.438SS*.THydrogen-bonded Turntrans40.834.616000000118.8E18E18-A20 PolarHBondContact O-N 3.28Å
21S51.3Low54.4Low20 Ų2073.6 Ų73.614%0.1443%0.426CS..  trans-125.6123.8173.2149.40000109.1K19 C23 A40 S41K19-S21 VanDerWaalsContact C-N 3.29Å; K19-S21 PolarHBondContact O-N 3.37Å; S21-C23 PolarHBondContact O-N 3.08Å; S21-A40 PolarHBondContact OG-N 3.29Å; S21-S41 PolarHBondContact OG-N 3.39Å
22A53.6Low55.6Low49 Ų4968.8 Ų68.841%0.40541%0.408SS..  trans-56.8132.717500000110.5G24 G39 A40A22-G24 PolarHBondContact O-N 3.1Å; A22-G39 CarbonylContact O-C 3.49Å; A22-G39 WeakPolarHBondContact O-CA 3.46Å; A22-A40 PolarHBondContact O-N 3.12Å
23C57.8Low56.8Low28 Ų2865.9 Ų65.919%0.18939%0.392CS..EExtended strand (participates in β ladder)trans-72.4128.4164.7-31.70000108.5S21 S38 C151S21-C23 PolarHBondContact O-N 3.08Å; C23-S38 CarbonylContact C-O 3.47Å; C23-S38 VanDerWaalsContact CA-O 3.32Å; C23-S38 WeakPolarHBondContact CA-O 3.17Å; C23-C151 HydrophobicContact CB-CB 3.51Å; C23-C151 WeakPolarHBondContact CB-SG 3.47Å; C23-C151 PolarHBondContact N-SG 3.35Å; C23-C151 VanDerWaalsContact N-SG 3.38Å; C23-C151 WeakPolarHBondContact SG-CB 3.33Å; C23-C151 CovalentContact SG-SG 2.03Å; C23-C151 PolarHBondContact SG-SG 3.25Å
24G61.5Low58.2Low38 Ų3865.1 Ų65.139%0.39239%0.39SS..EExtended strand (participates in β ladder)trans-84.6-31.3172.500000112.9A22 S38 G94A22-G24 PolarHBondContact O-N 3.1Å; G24-S38 PolarHBondContact N-O 3.33Å; G24-G94 WeakPolarHBondContact O-CA 3.44Å
25A61.5Low59.5Low24 Ų2463.9 Ų63.920%0.19838%0.383CS..EExtended strand (participates in β ladder)trans-158.9157.9-179.900000112.6S37 S38 V92A25-S37 CarbonylContact O-C 3.48Å; A25-S37 WeakPolarHBondContact O-CA 3.44Å; A25-S38 PolarHBondContact N-O 3.03Å; A25-S38 PolarHBondContact O-N 3.34Å; A25-V92 HydrophobicContact CB-CG1 4.13Å
26V67.5Low60.2Low26 Ų2659.8 Ų59.816%0.15837%0.372CS..EExtended strand (participates in β ladder)trans-129.4145.5170.3-70.10000109.5A36 V92V26-A36 CarbonylContact C-O 3.51Å; V26-A36 VanDerWaalsContact CA-O 3.23Å; V26-A36 WeakPolarHBondContact CA-O 3.13Å; V26-V92 HydrophobicContact CG2-CG1 4.37Å; V26-V92 WeakPolarHBondContact O-CB 3.46Å; V26-V92 WeakPolarHBondContact O-CG1 3.31Å; V26-V92 WeakPolarHBondContact O-CG2 3.33Å
27A71.6Confident61.1Low32 Ų3256.9 Ų56.926%0.26436%0.362SS..EExtended strand (participates in β ladder)trans-140.4140.617600000110.1M35 A36A27-M35 CarbonylContact O-C 3.57Å; A27-M35 VanDerWaalsContact O-CA 3.31Å; A27-M35 WeakPolarHBondContact O-CA 3.15Å; A27-A36 PolarHBondContact N-O 2.94Å; A27-A36 PolarHBondContact O-N 3.27Å
28F74.6Confident61.8Low59 Ų5954.2 Ų54.226%0.25935%0.348SS..EExtended strand (participates in β ladder)trans-101.5145174-66.4-85.7000110.2L34 M35 I50 L76 I78 I90F28-L34 WeakPolarHBondContact CA-O 3.29Å; F28-M35 HydrophobicContact CD1-CB 3.95Å; F28-M35 HydrophobicContact CD1-CG 4.08Å; F28-M35 HydrophobicContact CE1-CB 3.9Å; F28-M35 HydrophobicContact CE1-CG 3.78Å; F28-M35 HydrophobicContact CE1-SD 3.72Å; F28-M35 HydrophobicContact CZ-CG 4.14Å; F28-M35 HydrophobicContact CZ-SD 3.76Å; F28-I50 HydrophobicContact CD1-CD1 4.04Å; F28-I50 HydrophobicContact CE1-CD1 4.35Å; F28-L76 HydrophobicContact CE1-CD2 3.78Å; F28-L76 HydrophobicContact CZ-CD2 3.55Å; F28-I78 HydrophobicContact CE2-CD1 4.5Å; F28-I78 HydrophobicContact CZ-CD1 4.17Å; F28-I90 HydrophobicContact CB-CD1 4.26Å
29S69.8Low62.6Low21 Ų2152.6 Ų52.615%0.14735%0.347CS..  trans-65.3152.7165.461.40000110.3D31 G32 S33 L34S29-D31 WeakPolarHBondContact CB-OD1 3.23Å; S29-D31 PolarHBondContact O-N 3.24Å; S29-D31 VanDerWaalsContact O-N 3.14Å; S29-D31 PolarHBondContact OG-OD1 3.11Å; S29-G32 PolarHBondContact O-N 3.14Å; S29-S33 PolarHBondContact OG-N 3.08Å; S29-L34 PolarHBondContact N-O 3.14Å; S29-L34 PolarHBondContact OG-N 3.23Å; S29-L34 PolarHBondContact OG-O 3.28Å
30S64.2Low63.2Low111 Ų11146.3 Ų46.378%0.77633%0.334SS*.THydrogen-bonded Turntrans-63.7-20.5-176.4520000114.3
31D64.6Low63.9Low109 Ų10943.5 Ų43.558%0.58331%0.308SS*.THydrogen-bonded Turntrans-93.7-2.6175.665.4-16.7000112.9S29 S33S29-D31 WeakPolarHBondContact CB-OD1 3.23Å; S29-D31 PolarHBondContact O-N 3.24Å; S29-D31 VanDerWaalsContact O-N 3.14Å; S29-D31 PolarHBondContact OG-OD1 3.11Å; D31-S33 PolarHBondContact O-N 3.08Å; D31-S33 PolarHBondContact OD1-N 3.47Å; D31-S33 PolarHBondContact OD1-OG 2.94Å; D31-S33 WeakPolarHBondContact OD2-CB 3.19Å; D31-S33 PolarHBondContact OD2-OG 3.47Å
32G65.1Low63.8Low27 Ų2751 Ų5128%0.27833%0.333SS..SBendtrans67.415.4-178.400000114.2S29 I50S29-G32 PolarHBondContact O-N 3.14Å; G32-I50 WeakPolarHBondContact O-CB 3.42Å; G32-I50 WeakPolarHBondContact O-CD1 3.46Å
33S71.1Confident63.5Low39 Ų3956.8 Ų56.827%0.27335%0.351SS..SBendtrans-94.5-9.8-179.677.60000113.9S29 D31 I50S29-S33 PolarHBondContact OG-N 3.08Å; D31-S33 PolarHBondContact O-N 3.08Å; D31-S33 PolarHBondContact OD1-N 3.47Å; D31-S33 PolarHBondContact OD1-OG 2.94Å; D31-S33 WeakPolarHBondContact OD2-CB 3.19Å; D31-S33 PolarHBondContact OD2-OG 3.47Å; S33-I50 WeakPolarHBondContact O-CA 3.38Å; S33-I50 WeakPolarHBondContact O-CB 3.39Å; S33-I50 WeakPolarHBondContact O-CG1 3.16Å; S33-I50 PolarHBondContact O-N 3.48Å
34L67.7Low63.3Low66 Ų6658.2 Ų58.235%0.34636%0.357SS..EExtended strand (participates in β ladder)trans-136.7145.8176.2-58.6170.3000110.8F28 S29 L47 F48 R49 I50F28-L34 WeakPolarHBondContact CA-O 3.29Å; S29-L34 PolarHBondContact N-O 3.14Å; S29-L34 PolarHBondContact OG-N 3.23Å; S29-L34 PolarHBondContact OG-O 3.28Å; L34-L47 HydrophobicContact CB-CD2 4.17Å; L34-L47 HydrophobicContact CD1-CD2 4.17Å; L34-L47 HydrophobicContact CD2-CD2 4.28Å; L34-L47 HydrophobicContact CG-CD2 4.45Å; L34-F48 CarbonylContact C-O 3.58Å; L34-F48 VanDerWaalsContact CA-O 3.28Å; L34-F48 WeakPolarHBondContact CA-O 3.42Å; L34-R49 HydrophobicContact CD2-CB 4.27Å; L34-R49 HydrophobicContact CD2-CG 4.23Å; L34-I50 VanDerWaalsContact C-CD1 3.41Å
35M69.7Low63.1Low14 Ų1461 Ų617%0.06937%0.371CS..EExtended strand (participates in β ladder)trans-123.4139.1164.2-178.4-17778.600108.2A27 F28 F48 I50 F61 L76A27-M35 CarbonylContact O-C 3.57Å; A27-M35 VanDerWaalsContact O-CA 3.31Å; A27-M35 WeakPolarHBondContact O-CA 3.15Å; F28-M35 HydrophobicContact CD1-CB 3.95Å; F28-M35 HydrophobicContact CD1-CG 4.08Å; F28-M35 HydrophobicContact CE1-CB 3.9Å; F28-M35 HydrophobicContact CE1-CG 3.78Å; F28-M35 HydrophobicContact CE1-SD 3.72Å; F28-M35 HydrophobicContact CZ-CG 4.14Å; F28-M35 HydrophobicContact CZ-SD 3.76Å; M35-F48 HydrophobicContact CB-CB 4.28Å; M35-F48 HydrophobicContact CB-CD2 4.36Å; M35-F48 HydrophobicContact CE-CB 4.42Å; M35-F48 HydrophobicContact CE-CD2 3.32Å; M35-F48 HydrophobicContact CE-CE2 3.62Å; M35-F48 HydrophobicContact CE-CG 3.9Å; M35-F48 HydrophobicContact CE-CZ 4.4Å; M35-F48 HydrophobicContact CG-CD2 4.44Å; M35-F48 PolarHBondContact N-O 2.75Å; M35-F48 WeakPolarHBondContact O-CD2 3.32Å; M35-F48 PolarHBondContact O-N 3.21Å; M35-I50 HydrophobicContact CB-CD1 4.11Å; M35-F61 HydrophobicContact CB-CE1 4.23Å; M35-L76 HydrophobicContact SD-CD2 4.15Å
36A65.3Low63.1Low38 Ų3861.4 Ų61.431%0.31437%0.369SS..EExtended strand (participates in β ladder)trans-114.3130.9170.100000109.1V26 A27 I46V26-A36 CarbonylContact C-O 3.51Å; V26-A36 VanDerWaalsContact CA-O 3.23Å; V26-A36 WeakPolarHBondContact CA-O 3.13Å; A27-A36 PolarHBondContact N-O 2.94Å; A27-A36 PolarHBondContact O-N 3.27Å; A36-I46 CarbonylContact C-O 3.4Å; A36-I46 WeakPolarHBondContact CA-O 3.28Å
37S69Low62.7Low6 Ų665.3 Ų65.34%0.04239%0.388CS..EExtended strand (participates in β ladder)trans-105.4152.3164.567.60000109.5E18 A25 S45 I46 F48E18-S37 PolarHBondContact OE1-OG 3.35Å; A25-S37 CarbonylContact O-C 3.48Å; A25-S37 WeakPolarHBondContact O-CA 3.44Å; S37-S45 CarbonylContact O-C 3.53Å; S37-S45 VanDerWaalsContact O-CA 3.23Å; S37-S45 WeakPolarHBondContact O-CA 3.15Å; S37-I46 PolarHBondContact N-O 3.01Å; S37-I46 PolarHBondContact O-N 2.51Å; S37-F48 WeakPolarHBondContact OG-CE2 3.41Å
38S63.6Low62.5Low53 Ų5364.1 Ų64.137%0.37138%0.377SS..EExtended strand (participates in β ladder)trans-129.9140.9166.362.70000109.4C23 G24 A25 N44C23-S38 CarbonylContact C-O 3.47Å; C23-S38 VanDerWaalsContact CA-O 3.32Å; C23-S38 WeakPolarHBondContact CA-O 3.17Å; G24-S38 PolarHBondContact N-O 3.33Å; A25-S38 PolarHBondContact N-O 3.03Å; A25-S38 PolarHBondContact O-N 3.34Å; S38-N44 WeakPolarHBondContact CA-O 2.95Å
39G64.4Low61.7Low25 Ų2568 Ų6826%0.25839%0.39SS..EExtended strand (participates in β ladder)trans-124.1177-178.500000114.8A22 S41 N44A22-G39 CarbonylContact O-C 3.49Å; A22-G39 WeakPolarHBondContact O-CA 3.46Å; G39-S41 PolarHBondContact O-N 2.63Å; G39-N44 PolarHBondContact N-O 2.83Å; G39-N44 VanDerWaalsContact N-O 3.16Å
40A53.9Low61Low76 Ų7667.5 Ų67.563%0.62839%0.386SS*.SBendtrans-62.4-20.3177.900000113.5S21 A22S21-A40 PolarHBondContact OG-N 3.29Å; A22-A40 PolarHBondContact O-N 3.12Å
41S54.8Low60.3Low53 Ų5366.9 Ų66.937%0.37137%0.371SS..SBendtrans-75.4128173-66.20000111.3S21 G39 H43 N44S21-S41 PolarHBondContact OG-N 3.39Å; G39-S41 PolarHBondContact O-N 2.63Å; S41-H43 PolarHBondContact O-N 3.26Å; S41-N44 PolarHBondContact O-N 2.84Å; S41-N44 VanDerWaalsContact O-N 3.09Å
42R48.3Very low59.2Low178 Ų17866.2 Ų66.267%0.67237%0.373SS*.THydrogen-bonded Turntrans-55.3-7.6-174.3-62.8-174.4-170.8-150.64.1116L99R42-L99 HydrophobicContact CG-CD1 4Å
43H48.3Very low57.7Low169 Ų16965.8 Ų65.878%0.78237%0.369SS*.THydrogen-bonded Turntrans-133.68-175.5-58.6-60.2000114.3S41 S45S41-H43 PolarHBondContact O-N 3.26Å; H43-S45 PolarHBondContact O-N 3.2Å
44N53.1Low55.7Low58 Ų5870.1 Ų70.131%0.3140%0.396SS..  trans-102.870.1-175.1-70.514.3000110.6S38 G39 S41S38-N44 WeakPolarHBondContact CA-O 2.95Å; G39-N44 PolarHBondContact N-O 2.83Å; G39-N44 VanDerWaalsContact N-O 3.16Å; S41-N44 PolarHBondContact O-N 2.84Å; S41-N44 VanDerWaalsContact O-N 3.09Å
45S56.9Low53.7Low98 Ų9876.3 Ų76.369%0.68543%0.426SS*.EExtended strand (participates in β ladder)trans-94.911115556.80000108S37 H43S37-S45 CarbonylContact O-C 3.53Å; S37-S45 VanDerWaalsContact O-CA 3.23Å; S37-S45 WeakPolarHBondContact O-CA 3.15Å; H43-S45 PolarHBondContact O-N 3.2Å
46I61.6Low51.7Low32 Ų3280 Ų8016%0.16445%0.449CS..EExtended strand (participates in β ladder)trans-106.2128.8-178.7-67.1161.1000109.2E18 A36 S37 F48 C63E18-I46 HydrophobicContact CG-CD1 4.48Å; E18-I46 WeakPolarHBondContact OE1-CD1 3.42Å; E18-I46 WeakPolarHBondContact OE2-CD1 2.98Å; A36-I46 CarbonylContact C-O 3.4Å; A36-I46 WeakPolarHBondContact CA-O 3.28Å; S37-I46 PolarHBondContact N-O 3.01Å; S37-I46 PolarHBondContact O-N 2.51Å; I46-F48 HydrophobicContact CB-CE2 3.93Å; I46-F48 HydrophobicContact CB-CZ 3.89Å; I46-F48 HydrophobicContact CG2-CD1 4.09Å; I46-F48 HydrophobicContact CG2-CD2 4.1Å; I46-F48 HydrophobicContact CG2-CE1 3.56Å; I46-F48 HydrophobicContact CG2-CE2 3.58Å; I46-F48 HydrophobicContact CG2-CG 4.35Å; I46-F48 HydrophobicContact CG2-CZ 3.28Å; I46-C63 WeakPolarHBondContact CG2-SG 3.38Å
47L60.2Low49.9Very low108 Ų10883.4 Ų83.457%0.56547%0.471SS*.EExtended strand (participates in β ladder)trans-97.5122.1173.2-103149.4000109L34L34-L47 HydrophobicContact CB-CD2 4.17Å; L34-L47 HydrophobicContact CD1-CD2 4.17Å; L34-L47 HydrophobicContact CD2-CD2 4.28Å; L34-L47 HydrophobicContact CG-CD2 4.45Å
48F65.6Low47.9Very low7 Ų786.9 Ų86.93%0.03149%0.486CS..EExtended strand (participates in β ladder)trans-105.2127174.3-54.2-86.2000108.1W16 L34 M35 S37 I46 F61 C63W16-F48 HydrophobicContact CE3-CD1 4.4Å; W16-F48 AromaticContact CE3-CE1 3.78Å; W16-F48 HydrophobicContact CE3-CE1 3.78Å; W16-F48 HydrophobicContact CE3-CZ 4.32Å; W16-F48 AromaticContact CH2-CD1 3.77Å; W16-F48 HydrophobicContact CH2-CD1 3.77Å; W16-F48 AromaticContact CH2-CE1 3.99Å; W16-F48 HydrophobicContact CH2-CE1 3.99Å; W16-F48 AromaticContact CZ3-CD1 3.63Å; W16-F48 HydrophobicContact CZ3-CD1 3.63Å; W16-F48 AromaticContact CZ3-CE1 3.37Å; W16-F48 HydrophobicContact CZ3-CE1 3.37Å; W16-F48 HydrophobicContact CZ3-CZ 4.31Å; L34-F48 CarbonylContact C-O 3.58Å; L34-F48 VanDerWaalsContact CA-O 3.28Å; L34-F48 WeakPolarHBondContact CA-O 3.42Å; M35-F48 HydrophobicContact CB-CB 4.28Å; M35-F48 HydrophobicContact CB-CD2 4.36Å; M35-F48 HydrophobicContact CE-CB 4.42Å; M35-F48 HydrophobicContact CE-CD2 3.32Å; M35-F48 HydrophobicContact CE-CE2 3.62Å; M35-F48 HydrophobicContact CE-CG 3.9Å; M35-F48 HydrophobicContact CE-CZ 4.4Å; M35-F48 HydrophobicContact CG-CD2 4.44Å; M35-F48 PolarHBondContact N-O 2.75Å; M35-F48 WeakPolarHBondContact O-CD2 3.32Å; M35-F48 PolarHBondContact O-N 3.21Å; S37-F48 WeakPolarHBondContact OG-CE2 3.41Å; I46-F48 HydrophobicContact CB-CE2 3.93Å; I46-F48 HydrophobicContact CB-CZ 3.89Å; I46-F48 HydrophobicContact CG2-CD1 4.09Å; I46-F48 HydrophobicContact CG2-CD2 4.1Å; I46-F48 HydrophobicContact CG2-CE1 3.56Å; I46-F48 HydrophobicContact CG2-CE2 3.58Å; I46-F48 HydrophobicContact CG2-CG 4.35Å; I46-F48 HydrophobicContact CG2-CZ 3.28Å; F48-F61 HydrophobicContact CB-CD1 4.04Å; F48-C63 HydrophobicContact CD1-CB 4.17Å; F48-C63 HydrophobicContact CE1-CB 4.4Å
49R58.6Low46.2Very low140 Ų14086.3 Ų86.353%0.52848%0.479SS..EExtended strand (participates in β ladder)trans-82.6136.8169.3-168.6178.1-169.7-171.64.1109.4L34 Q51 F61 A62L34-R49 HydrophobicContact CD2-CB 4.27Å; L34-R49 HydrophobicContact CD2-CG 4.23Å; R49-Q51 HydrophobicContact CG-CG 4.45Å; R49-F61 CarbonylContact O-C 3.45Å; R49-F61 WeakPolarHBondContact O-CA 3.44Å; R49-F61 WeakPolarHBondContact O-CB 3.22Å; R49-A62 PolarHBondContact N-O 2.76Å; R49-A62 PolarHBondContact O-N 3.42Å
50I55.6Low44.3Very low10 Ų1089.2 Ų89.25%0.05149%0.488CS..EExtended strand (participates in β ladder)trans-111.5118.1178.8-30.9-175.4000109.7F28 G32 S33 L34 M35 L59 F61F28-I50 HydrophobicContact CD1-CD1 4.04Å; F28-I50 HydrophobicContact CE1-CD1 4.35Å; G32-I50 WeakPolarHBondContact O-CB 3.42Å; G32-I50 WeakPolarHBondContact O-CD1 3.46Å; S33-I50 WeakPolarHBondContact O-CA 3.38Å; S33-I50 WeakPolarHBondContact O-CB 3.39Å; S33-I50 WeakPolarHBondContact O-CG1 3.16Å; S33-I50 PolarHBondContact O-N 3.48Å; L34-I50 VanDerWaalsContact C-CD1 3.41Å; M35-I50 HydrophobicContact CB-CD1 4.11Å; I50-L59 HydrophobicContact CB-CD2 4Å; I50-L59 HydrophobicContact CG2-CB 3.63Å; I50-L59 HydrophobicContact CG2-CD1 4.4Å; I50-L59 HydrophobicContact CG2-CD2 3.21Å; I50-L59 HydrophobicContact CG2-CG 3.88Å; I50-F61 HydrophobicContact CB-CD1 3.9Å; I50-F61 HydrophobicContact CB-CE1 3.75Å; I50-F61 HydrophobicContact CB-CE2 4.46Å; I50-F61 HydrophobicContact CB-CG 4.41Å; I50-F61 HydrophobicContact CB-CZ 4.02Å; I50-F61 HydrophobicContact CD1-CD1 4.01Å; I50-F61 HydrophobicContact CD1-CE1 3.14Å; I50-F61 HydrophobicContact CD1-CZ 3.58Å; I50-F61 HydrophobicContact CG1-CD1 3.4Å; I50-F61 VanDerWaalsContact CG1-CD1 3.4Å; I50-F61 HydrophobicContact CG1-CE1 3.08Å; I50-F61 HydrophobicContact CG1-CG 4.35Å; I50-F61 HydrophobicContact CG1-CZ 3.75Å; I50-F61 HydrophobicContact CG2-CD1 3.67Å; I50-F61 HydrophobicContact CG2-CD2 3.7Å; I50-F61 HydrophobicContact CG2-CE1 3.36Å; I50-F61 HydrophobicContact CG2-CE2 3.28Å; I50-F61 HydrophobicContact CG2-CG 3.86Å; I50-F61 HydrophobicContact CG2-CZ 3.12Å
51Q48Very low43.2Very low99 Ų9985.9 Ų85.946%0.46346%0.459SS..EExtended strand (participates in β ladder)trans-117.6119.2178.8-66.9-170.1-53.400110.1R49 G53 L60R49-Q51 HydrophobicContact CG-CG 4.45Å; Q51-G53 PolarHBondContact O-N 2.67Å; Q51-L60 WeakPolarHBondContact CA-O 3.15Å; Q51-L60 PolarHBondContact N-O 2.75Å; Q51-L60 WeakPolarHBondContact O-CA 3.43Å; Q51-L60 WeakPolarHBondContact O-CB 3.43Å; Q51-L60 PolarHBondContact O-N 3.24Å; Q51-L60 VanDerWaalsContact O-O 3.05Å
52C42Very low41.9Very low95 Ų9585.6 Ų85.664%0.64246%0.46SS*.EExtended strand (participates in β ladder)trans-67.2125.7167.9-86.30000109.2L59C52-L59 HydrophobicContact CB-CD2 4.14Å; C52-L59 HydrophobicContact CB-CG 4.46Å; C52-L59 WeakPolarHBondContact SG-CD2 3.45Å; C52-L59 WeakPolarHBondContact SG-CG 3.47Å
53G35Very low41Very low18 Ų1879.9 Ų79.919%0.18645%0.446CS..PPolyproline II helixtrans-74.5151.5163.300000110.9Q51 M55Q51-G53 PolarHBondContact O-N 2.67Å; G53-M55 PolarHBondContact O-N 3.42Å
54P27.3Very low40Very low129 Ų12980.5 Ų80.584%0.83845%0.45SS*.THydrogen-bonded Turntrans-66.7129.6177.525.8-30.7000111.2T56P54-T56 PolarHBondContact O-N 3.02Å
55M26Very low38.9Very low197 Ų19779.7 Ų79.797%0.9745%0.451SS*.THydrogen-bonded Turntrans5827.2167.9-74.9-165.9173.200118.8G53G53-M55 PolarHBondContact O-N 3.42Å
56T28.4Very low37.5Very low90 Ų9081.4 Ų81.455%0.55246%0.46SS*.SBendtrans-126.6141.1155.245.70000106.5P54 H58P54-T56 PolarHBondContact O-N 3.02Å; T56-H58 PolarHBondContact O-N 2.91Å
57S27.9Very low36.1Very low111 Ų11187.4 Ų87.478%0.77649%0.492SS*.SBendtrans-58.723.4-178.7-38.10000114.9V77S57-V77 WeakPolarHBondContact O-CG1 3.09Å
58H27Very low34.7Very low78 Ų7886.1 Ų86.136%0.36149%0.492SS..  trans-126.7121.5-159.4-61-91.7000109.8E13 T56 V77E13-H58 IonicContact OE2-ND1 3.96Å; T56-H58 PolarHBondContact O-N 2.91Å; H58-V77 HydrophobicContact CB-CG1 4.37Å; H58-V77 HydrophobicContact CB-CG2 3.75Å
59L26.7Very low32.8Very low42 Ų4292.6 Ų92.622%0.2253%0.532CS..EExtended strand (participates in β ladder)trans-88.9122.6172.4-95.5146.4000108.8I50 C52 F61 I75I50-L59 HydrophobicContact CB-CD2 4Å; I50-L59 HydrophobicContact CG2-CB 3.63Å; I50-L59 HydrophobicContact CG2-CD1 4.4Å; I50-L59 HydrophobicContact CG2-CD2 3.21Å; I50-L59 HydrophobicContact CG2-CG 3.88Å; C52-L59 HydrophobicContact CB-CD2 4.14Å; C52-L59 HydrophobicContact CB-CG 4.46Å; C52-L59 WeakPolarHBondContact SG-CD2 3.45Å; C52-L59 WeakPolarHBondContact SG-CG 3.47Å; L59-F61 HydrophobicContact CB-CE2 4.08Å; L59-F61 WeakPolarHBondContact O-CD2 2.99Å; L59-F61 WeakPolarHBondContact O-CE2 2.79Å; L59-I75 WeakPolarHBondContact O-CG2 3.47Å
60L25.4Very low31.2Very low85 Ų8591.2 Ų91.245%0.44554%0.542SS..EExtended strand (participates in β ladder)trans-90.9142.3175.4-95.1135.4000111Q51 I75Q51-L60 WeakPolarHBondContact CA-O 3.15Å; Q51-L60 PolarHBondContact N-O 2.75Å; Q51-L60 WeakPolarHBondContact O-CA 3.43Å; Q51-L60 WeakPolarHBondContact O-CB 3.43Å; Q51-L60 PolarHBondContact O-N 3.24Å; Q51-L60 VanDerWaalsContact O-O 3.05Å; L60-I75 HydrophobicContact CD2-CD1 3.39Å; L60-I75 HydrophobicContact CD2-CG1 4.07Å; L60-I75 HydrophobicContact CG-CD1 3.9Å; L60-I75 HydrophobicContact CG-CG1 4.47Å
61F30.1Very low29.6Very low7 Ų797.1 Ų97.13%0.03158%0.579CS.*EExtended strand (participates in β ladder)trans-121141.9-176.8-63.9-119.9000111.9W16 M35 F48 R49 I50 L59 P73 I75 L76W16-F61 HydrophobicContact CH2-CB 4.13Å; W16-F61 HydrophobicContact CZ2-CB 4.3Å; M35-F61 HydrophobicContact CB-CE1 4.23Å; F48-F61 HydrophobicContact CB-CD1 4.04Å; R49-F61 CarbonylContact O-C 3.45Å; R49-F61 WeakPolarHBondContact O-CA 3.44Å; R49-F61 WeakPolarHBondContact O-CB 3.22Å; I50-F61 HydrophobicContact CB-CD1 3.9Å; I50-F61 HydrophobicContact CB-CE1 3.75Å; I50-F61 HydrophobicContact CB-CE2 4.46Å; I50-F61 HydrophobicContact CB-CG 4.41Å; I50-F61 HydrophobicContact CB-CZ 4.02Å; I50-F61 HydrophobicContact CD1-CD1 4.01Å; I50-F61 HydrophobicContact CD1-CE1 3.14Å; I50-F61 HydrophobicContact CD1-CZ 3.58Å; I50-F61 HydrophobicContact CG1-CD1 3.4Å; I50-F61 VanDerWaalsContact CG1-CD1 3.4Å; I50-F61 HydrophobicContact CG1-CE1 3.08Å; I50-F61 HydrophobicContact CG1-CG 4.35Å; I50-F61 HydrophobicContact CG1-CZ 3.75Å; I50-F61 HydrophobicContact CG2-CD1 3.67Å; I50-F61 HydrophobicContact CG2-CD2 3.7Å; I50-F61 HydrophobicContact CG2-CE1 3.36Å; I50-F61 HydrophobicContact CG2-CE2 3.28Å; I50-F61 HydrophobicContact CG2-CG 3.86Å; I50-F61 HydrophobicContact CG2-CZ 3.12Å; L59-F61 HydrophobicContact CB-CE2 4.08Å; L59-F61 WeakPolarHBondContact O-CD2 2.99Å; L59-F61 WeakPolarHBondContact O-CE2 2.79Å; F61-P73 VanDerWaalsContact O-CB 3.24Å; F61-P73 WeakPolarHBondContact O-CB 2.85Å; F61-I75 HydrophobicContact CD2-CG2 4.3Å; F61-L76 HydrophobicContact CD2-CB 4.44Å; F61-L76 HydrophobicContact CE1-CB 4.5Å; F61-L76 HydrophobicContact CE2-CB 3.82Å; F61-L76 WeakPolarHBondContact CE2-O 3.23Å; F61-L76 HydrophobicContact CZ-CB 3.84Å; F61-L76 HydrophobicContact CZ-CD2 4.3Å; F61-L76 VanDerWaalsContact CZ-O 3.29Å; F61-L76 WeakPolarHBondContact CZ-O 3.14Å
62A27.1Very low28.6Very low46 Ų4697.6 Ų97.638%0.3859%0.591SS.*EExtended strand (participates in β ladder)trans-126.5130.2172.100000110.3R49R49-A62 PolarHBondContact N-O 2.76Å; R49-A62 PolarHBondContact O-N 3.42Å
63C29.2Very low27.9Very low58 Ų5896.8 Ų96.839%0.39258%0.584SS.*EExtended strand (participates in β ladder)trans-91.2127.2176.6-162.10000109.1I46 F48I46-C63 WeakPolarHBondContact CG2-SG 3.38Å; F48-C63 HydrophobicContact CD1-CB 4.17Å; F48-C63 HydrophobicContact CE1-CB 4.4Å
64Q29.1Very low27.5Very low182 Ų18298.9 Ų98.985%0.8559%0.591SS**  trans-122.782.5178.5-155.4166.915.300108.7
65A29.5Very low27.5Very low42 Ų4295 Ų9535%0.34756%0.562SS.*  trans-111.3134.3168.200000108.9N67 C68A65-N67 PolarHBondContact O-N 2.71Å; A65-C68 HydrophobicContact CB-CB 4.3Å; A65-C68 PolarHBondContact O-N 3.27Å
66P27.6Very low27.6Very low133 Ų13386.7 Ų86.786%0.86452%0.522SS*.THydrogen-bonded Turntrans-66.1-5.1-169.622.6-31.4000115.5
67N32.7Very low27.5Very low158 Ų15883.4 Ų83.485%0.84550%0.502SS*.THydrogen-bonded Turntrans-128.919.6179.7-76.4-18.6000114.2A65A65-N67 PolarHBondContact O-N 2.71Å
68C29.3Very low27.5Very low82 Ų8282.1 Ų82.155%0.55449%0.485SS*.  trans-95112-179.5-100.80000112.3A65 C70A65-C68 HydrophobicContact CB-CB 4.3Å; A65-C68 PolarHBondContact O-N 3.27Å; C68-C70 VanDerWaalsContact C-N 3.28Å; C68-C70 PolarHBondContact O-N 2.75Å
69T26.2Very low27.3Very low143 Ų14383.5 Ų83.588%0.87750%0.501SS*.  trans-87.123172.741.80000113.9
70C24.5Very low27.3Very low110 Ų11086.9 Ų86.974%0.74352%0.519SS*.  trans-101.6102.7-173-54.70000112C68C68-C70 VanDerWaalsContact C-N 3.28Å; C68-C70 PolarHBondContact O-N 2.75Å
71T23Very low27.2Very low135 Ų13594.2 Ų94.283%0.82854%0.541SS*.PPolyproline II helixtrans-90.8150.6153.5400000110.4
72P26.6Very low26.9Very low108 Ų108104.3 Ų104.370%0.70158%0.578SS**SBendcis-103.6165.6-10.637.1-25.8000112.4
73P27.3Very low26.9Very low78 Ų78108.2 Ų108.251%0.50659%0.59SS.*PPolyproline II helixtrans-71.1132.2-177.429.2-33.3000111.3F61F61-P73 VanDerWaalsContact O-CB 3.24Å; F61-P73 WeakPolarHBondContact O-CB 2.85Å
74I26.2Very low26.6Very low63 Ų63115.9 Ų115.932%0.32361%0.611SS.*PPolyproline II helixtrans-83.4152.8166.4-60.2176.9000106.8N14 K15 W16N14-I74 HydrophobicContact CB-CG2 3.89Å; K15-I74 WeakPolarHBondContact O-CD1 3.44Å; W16-I74 HydrophobicContact CD2-CB 4.03Å; W16-I74 HydrophobicContact CD2-CG2 4.19Å; W16-I74 HydrophobicContact CE3-CB 4.23Å; W16-I74 HydrophobicContact CG-CG2 4.3Å; W16-I74 WeakPolarHBondContact CH2-O 3.5Å; W16-I74 HydrophobicContact CZ2-CB 4.34Å; W16-I74 WeakPolarHBondContact CZ2-O 2.88Å; W16-I74 HydrophobicContact CZ3-CB 4.45Å
75I27.8Very low26.4Very low47 Ų47117.9 Ų117.924%0.24162%0.617CS.*  trans-114.1170.4-168.3-65.7167.8000108.4N14 W16 L59 L60 F61 V77N14-I75 WeakPolarHBondContact CB-O 3.36Å; N14-I75 VanDerWaalsContact CG-C 3.45Å; N14-I75 VanDerWaalsContact ND2-C 3.3Å; N14-I75 PolarHBondContact ND2-O 2.85Å; N14-I75 PolarHBondContact OD1-O 2.91Å; W16-I75 PolarHBondContact NE1-O 2.9Å; L59-I75 WeakPolarHBondContact O-CG2 3.47Å; L60-I75 HydrophobicContact CD2-CD1 3.39Å; L60-I75 HydrophobicContact CD2-CG1 4.07Å; L60-I75 HydrophobicContact CG-CD1 3.9Å; L60-I75 HydrophobicContact CG-CG1 4.47Å; F61-I75 HydrophobicContact CD2-CG2 4.3Å; I75-V77 HydrophobicContact CG2-CG2 4.03Å
76L27.8Very low26.2Very low22 Ų22119.4 Ų119.412%0.11563%0.625CS.*  trans-148.9103.9172.8179.396.3000109.3F28 M35 F61 I78 F153F28-L76 HydrophobicContact CE1-CD2 3.78Å; F28-L76 HydrophobicContact CZ-CD2 3.55Å; M35-L76 HydrophobicContact SD-CD2 4.15Å; F61-L76 HydrophobicContact CD2-CB 4.44Å; F61-L76 HydrophobicContact CE1-CB 4.5Å; F61-L76 HydrophobicContact CE2-CB 3.82Å; F61-L76 WeakPolarHBondContact CE2-O 3.23Å; F61-L76 HydrophobicContact CZ-CB 3.84Å; F61-L76 HydrophobicContact CZ-CD2 4.3Å; F61-L76 VanDerWaalsContact CZ-O 3.29Å; F61-L76 WeakPolarHBondContact CZ-O 3.14Å; L76-I78 HydrophobicContact CD2-CD1 4.19Å; L76-I78 HydrophobicContact CD2-CG1 4.36Å; L76-F153 HydrophobicContact CD1-CE1 4.11Å
77V27.1Very low26.1Very low22 Ų22116.2 Ų116.213%0.13362%0.616CS.*  trans-103.9118.6179.4-174.10000109.7E13 S57 H58 I75E13-V77 WeakPolarHBondContact OE2-CB 2.86Å; S57-V77 WeakPolarHBondContact O-CG1 3.09Å; H58-V77 HydrophobicContact CB-CG1 4.37Å; H58-V77 HydrophobicContact CB-CG2 3.75Å; I75-V77 HydrophobicContact CG2-CG2 4.03Å
78I27.5Very low25.9Very low83 Ų83119.8 Ų119.843%0.42662%0.618SS.*  trans-109121.3168.7-58.1175.7000107.5F28 L76 L80F28-I78 HydrophobicContact CE2-CD1 4.5Å; F28-I78 HydrophobicContact CZ-CD1 4.17Å; L76-I78 HydrophobicContact CD2-CD1 4.19Å; L76-I78 HydrophobicContact CD2-CG1 4.36Å; I78-L80 PolarHBondContact O-N 2.94Å
79P23.3Very low25.8Very low108 Ų108120.8 Ų120.870%0.70162%0.615SS**  trans-70.6104178.526.6-31.4000110.4R81P79-R81 PolarHBondContact O-N 2.7Å
80L26.1Very low26Very low113 Ų113116.5 Ų116.559%0.59259%0.586SS**  trans-77.264.9173.2-62.8-178.7000111.4I78 R82 M83I78-L80 PolarHBondContact O-N 2.94Å; L80-R82 PolarHBondContact O-N 2.73Å; L80-R82 VanDerWaalsContact O-N 3.1Å; L80-M83 HydrophobicContact CB-CG 4.29Å; L80-M83 HydrophobicContact CD1-CG 4.2Å; L80-M83 HydrophobicContact CD2-CG 3.61Å; L80-M83 HydrophobicContact CG-CG 4.24Å
81R22.8Very low26.1Very low239 Ų239114.4 Ų114.490%0.90257%0.567SS**THydrogen-bonded Turntrans-76.299.3164.1-75.5-170.3-179.1-177.22.4108.5P79P79-R81 PolarHBondContact O-N 2.7Å
82R25Very low26.4Very low219 Ų219109.1 Ų109.183%0.82653%0.534SS*.THydrogen-bonded Turntrans79.961.8177.1-62.2-176.9173.8177.2-1.1117.4L80 R84L80-R82 PolarHBondContact O-N 2.73Å; L80-R82 VanDerWaalsContact O-N 3.1Å; R82-R84 PolarHBondContact O-N 3.39Å
83M25.8Very low26.4Very low127 Ų127106 Ų10663%0.62651%0.512SS*.  trans-82.196.4151.7-79.1-82.2-90.700109.7L80L80-M83 HydrophobicContact CB-CG 4.29Å; L80-M83 HydrophobicContact CD1-CG 4.2Å; L80-M83 HydrophobicContact CD2-CG 3.61Å; L80-M83 HydrophobicContact CG-CG 4.24Å
84R23.3Very low26.4Very low219 Ų219103.9 Ų103.983%0.82650%0.503SS*.  trans-72.2130.5163.6-107.1-172.7178.1-175.20.5108.3R82 S86R82-R84 PolarHBondContact O-N 3.39Å; R84-S86 PolarHBondContact O-N 3.33Å
85K24.4Very low26.3Very low224 Ų224105.9 Ų105.997%0.97452%0.522SS*.  trans-43.3106.3166.9-93.8-178.2175.4176.30109.3
86S25.9Very low26.2Very low75 Ų75108 Ų10852%0.52455%0.546SS..  trans-135.2102.8166.4178.70000103.9R84 R158R84-S86 PolarHBondContact O-N 3.33Å; S86-R158 PolarHBondContact OG-NH2 3.31Å; S86-R158 VanDerWaalsContact OG-NH2 3.11Å
87G25.9Very low26Very low66 Ų66115.9 Ų115.968%0.6858%0.582SS**  trans-55.2151.8-17900000111.6
88R27.8Very low25.9Very low233 Ų233124.7 Ų124.788%0.87962%0.619SS**SBendtrans85.9102.3164-56.7175.8175.3162-1.1115.8
89Q28.4Very low25.6Very low103 Ų103125.9 Ų125.948%0.48163%0.625SS.*  trans79.1132.1147.6-60169-2.600117.6V120Q89-V120 HydrophobicContact CB-CG1 4.43Å; Q89-V120 HydrophobicContact CG-CG1 3.89Å; Q89-V120 VanDerWaalsContact OE1-CG1 3.24Å
90I29.1Very low25.5Very low52 Ų52125.8 Ų125.827%0.26763%0.627SS.*  trans-115.6121.5163.4-60.9173.7000105.5F28 V92 L156F28-I90 HydrophobicContact CB-CD1 4.26Å; I90-V92 HydrophobicContact CG2-CG2 4.36Å; I90-L156 HydrophobicContact CG1-CD1 4.37Å; I90-L156 HydrophobicContact CG2-CD1 4.25Å
91I28Very low25.4Very low67 Ų67125.3 Ų125.334%0.34463%0.625SS.*  trans-104.7131.7-177.9-62.9175.5000107.9V118 V120I91-V118 HydrophobicContact CD1-CG1 4.14Å; I91-V118 HydrophobicContact CG2-CG1 3.46Å; I91-V118 VanDerWaalsContact CG2-CG1 3.46Å; I91-V120 HydrophobicContact CD1-CG2 3.95Å; I91-V120 HydrophobicContact CG1-CG2 4.18Å
92V28.8Very low25.4Very low23 Ų23120.5 Ų120.514%0.13963%0.625CS.*  trans-129.9122.3174.7175.50000109.1A25 V26 I90 I154A25-V92 HydrophobicContact CB-CG1 4.13Å; V26-V92 HydrophobicContact CG2-CG1 4.37Å; V26-V92 WeakPolarHBondContact O-CB 3.46Å; V26-V92 WeakPolarHBondContact O-CG1 3.31Å; V26-V92 WeakPolarHBondContact O-CG2 3.33Å; I90-V92 HydrophobicContact CG2-CG2 4.36Å; V92-I154 HydrophobicContact CB-CD1 3.62Å; V92-I154 HydrophobicContact CG1-CD1 3.35Å; V92-I154 HydrophobicContact CG2-CD1 3.33Å
93D26Very low25.3Very low44 Ų44114.2 Ų114.224%0.23562%0.619CS.*  trans-84138.9-177.5-1642.9000110.5H116D93-H116 IonicContact OD2-ND1 3.5Å
94G27.9Very low25.2Very low32 Ų32114 Ų11433%0.3362%0.62SS.*  trans-136125-178.800000110.8G24 A96G24-G94 WeakPolarHBondContact O-CA 3.44Å; G94-A96 PolarHBondContact O-N 3.48Å
95C24.7Very low25.2Very low106 Ų106114.6 Ų114.672%0.71662%0.622SS**  trans-73.6123.8-176.8-149.30000110.7Q97C95-Q97 PolarHBondContact O-N 2.03Å
96A24.9Very low25.1Very low90 Ų90110.8 Ų110.874%0.74461%0.613SS**  trans-79.3104.2177.700000111.2G94 K98G94-A96 PolarHBondContact O-N 3.48Å; A96-K98 PolarHBondContact O-N 3.22Å
97Q24.2Very low25.1Very low189 Ų189117 Ų11788%0.88363%0.631SS**  trans-84.497.5162.2-83-172.7-7.200110.4C95 L99C95-Q97 PolarHBondContact O-N 2.03Å; Q97-L99 PolarHBondContact O-N 3.34Å; Q97-L99 VanDerWaalsContact O-N 3.14Å
98K24Very low24.9Very low207 Ų207117.6 Ų117.690%0.963%0.629SS**  trans16.780.4143.9-148.3175-169.8-179.80116.4A96A96-K98 PolarHBondContact O-N 3.22Å
99L22Very low24.7Very low107 Ų107114.8 Ų114.856%0.5663%0.63SS**  trans-80.4114.4156.8-84.3167.9000108.3R42 Q97 L101R42-L99 HydrophobicContact CG-CD1 4Å; Q97-L99 PolarHBondContact O-N 3.34Å; Q97-L99 VanDerWaalsContact O-N 3.14Å; L99-L101 PolarHBondContact O-N 2.97Å
100S21.6Very low24.5Very low106 Ų106115.2 Ų115.274%0.74165%0.645SS**  trans-55.4132.3175.242.70000111.2
101L23.7Very low24.3Very low104 Ų104119.2 Ų119.255%0.54567%0.674SS.*  trans-74.9158.1178.5-78.3157000111.3L99 A103 L104L99-L101 PolarHBondContact O-N 2.97Å; L101-A103 HydrophobicContact CD2-CB 3.93Å; L101-L104 HydrophobicContact CD1-CB 3.46Å; L101-L104 VanDerWaalsContact CD1-CB 3.46Å; L101-L104 HydrophobicContact CD2-CB 3.93Å; L101-L104 HydrophobicContact CG-CB 4.31Å
102P21.6Very low24.2Very low138 Ų138118.7 Ų118.790%0.89669%0.685SS**SBend-13180.5102.936.1-26.2000110.8
103A23.5Very low24.4Very low86 Ų86123.6 Ų123.671%0.71172%0.718SS**SBendtrans-149.19.4168.500000114.5L101L101-A103 HydrophobicContact CD2-CB 3.93Å
104L24.2Very low24.6Very low123 Ų123126.4 Ų126.464%0.64474%0.738SS**  trans-149.974.1178.3-108144.6000108L101L101-L104 HydrophobicContact CD1-CB 3.46Å; L101-L104 VanDerWaalsContact CD1-CB 3.46Å; L101-L104 HydrophobicContact CD2-CB 3.93Å; L101-L104 HydrophobicContact CG-CB 4.31Å
105R22Very low24.7Very low231 Ų231129.4 Ų129.487%0.87275%0.752SS**  trans-66.5143.8153.8-77-178.1170.8173.9-3.4106.8
106D23.5Very low25.1Very low145 Ų145131.2 Ų131.278%0.77575%0.75SS**  trans85.251.2168.1-45.6-29000118.4
107F25.2Very low25.3Very low206 Ų206131.4 Ų131.490%0.90474%0.735SS**  trans-131.998.2143.4-115.9-88.5000110.8
108A22.4Very low25.6Very low77 Ų77125.1 Ų125.164%0.63671%0.709SS**  trans-86.8144.9-17600000110.9
109L23.7Very low25.9Very low175 Ų175118.7 Ų118.792%0.91669%0.69SS**  trans6992.6141.6-57.4158.9000119.3
110S24Very low26.2Very low112 Ų112114.1 Ų114.178%0.78367%0.666SS**  trans-166.1138.8143.3-175.20000111.5
111P24.3Very low26.5Very low135 Ų135115.7 Ų115.788%0.87766%0.657SS**  trans-85.5107.9171.933.4-26.8000109.8
112G26.1Very low26.8Very low57 Ų57113.2 Ų113.259%0.58864%0.644SS**SBendtrans-166.4156.4173.800000111.6
113P32.7Very low27Very low125 Ų125109.5 Ų109.581%0.81263%0.625SS**PPolyproline II helixtrans-61.6142.6179.226.8-32.3000109.9
114P30.2Very low27.1Very low103 Ų103109.8 Ų109.867%0.66963%0.627SS**PPolyproline II helixtrans-61.6145.3-17324.1-32000111.5H116P114-H116 PolarHBondContact O-N 3.09Å
115P31Very low27.2Very low96 Ų96109.8 Ų109.862%0.62362%0.624SS**PPolyproline II helixtrans-65127.217826-32.3000110.7H117P115-H117 PolarHBondContact O-CD2 2.99Å; P115-H117 PolarHBondContact O-N 3.36Å
116H32.1Very low27.3Very low144 Ų144101.6 Ų101.667%0.66761%0.611SS**PPolyproline II helixtrans-64.3120.3171.6-67.9-95.8000109.8D93 P114D93-H116 IonicContact OD2-ND1 3.5Å; P114-H116 PolarHBondContact O-N 3.09Å
117H30.3Very low27.4Very low94 Ų9498.4 Ų98.444%0.43560%0.597SS.*  trans-96.9112176.7-72.4-73.5000109.8P115 C119P115-H117 PolarHBondContact O-CD2 2.99Å; P115-H117 PolarHBondContact O-N 3.36Å; H117-C119 PolarHBondContact O-N 3.49Å
118V30.5Very low27.6Very low57 Ų5793.3 Ų93.335%0.34558%0.583SS.*EExtended strand (participates in β ladder)trans-87.3109.4172.6-1790000109I91 V120I91-V118 HydrophobicContact CD1-CG1 4.14Å; I91-V118 HydrophobicContact CG2-CG1 3.46Å; I91-V118 VanDerWaalsContact CG2-CG1 3.46Å; V118-V120 HydrophobicContact CG1-CG2 4.05Å
119C29.3Very low27.8Very low72 Ų7294.8 Ų94.849%0.48658%0.575SS.*EExtended strand (participates in β ladder)trans-91.9115.2171.8-72.10000109.2H117H117-C119 PolarHBondContact O-N 3.49Å
120V29.1Very low28.1Very low11 Ų1196.2 Ų96.27%0.06757%0.568CS.*EExtended strand (participates in β ladder)trans-99.7114.8175.3-177.90000108.3Q89 I91 V118 Y131Q89-V120 HydrophobicContact CB-CG1 4.43Å; Q89-V120 HydrophobicContact CG-CG1 3.89Å; Q89-V120 VanDerWaalsContact OE1-CG1 3.24Å; I91-V120 HydrophobicContact CD1-CG2 3.95Å; I91-V120 HydrophobicContact CG1-CG2 4.18Å; V118-V120 HydrophobicContact CG1-CG2 4.05Å; V120-Y131 HydrophobicContact CB-CD2 4.09Å; V120-Y131 HydrophobicContact CB-CE2 4.25Å; V120-Y131 HydrophobicContact CG2-CD2 3.98Å
121Y28Very low28.3Very low139 Ų13997 Ų9755%0.54556%0.555SS.*EExtended strand (participates in β ladder)trans-89113.6174.7-168.3-102.6000110A123Y121-A123 HydrophobicContact CD1-CB 4.17Å; Y121-A123 HydrophobicContact CE1-CB 4Å; Y121-A123 PolarHBondContact O-N 3.14Å
122N28.4Very low28.4Very low52 Ų5299.1 Ų99.128%0.27855%0.55SS.*EExtended strand (participates in β ladder)trans-91.396.1169.7-171.50.1000109.5A124 Q125 G126N122-A124 PolarHBondContact O-N 3.22Å; N122-A124 VanDerWaalsContact O-N 3.08Å; N122-A124 WeakPolarHBondContact OD1-CB 3.24Å; N122-A124 PolarHBondContact OD1-N 3.44Å; N122-Q125 PolarHBondContact ND2-OE1 3.3Å; N122-Q125 VanDerWaalsContact ND2-OE1 3.11Å; N122-Q125 PolarHBondContact O-N 3.16Å; N122-Q125 VanDerWaalsContact O-N 3.08Å; N122-G126 PolarHBondContact O-N 2.91Å
123A26.1Very low28.5Very low60 Ų60106.8 Ų106.850%0.49657%0.568SS.*THydrogen-bonded Turntrans-58.4-21.6179.800000113.6Y121 Q125Y121-A123 HydrophobicContact CD1-CB 4.17Å; Y121-A123 HydrophobicContact CE1-CB 4Å; Y121-A123 PolarHBondContact O-N 3.14Å; A123-Q125 VanDerWaalsContact C-N 3.35Å
124A26.2Very low28.2Very low91 Ų91104.2 Ų104.275%0.75256%0.564SS**THydrogen-bonded Turntrans-78.4-15178.800000114.1N122N122-A124 PolarHBondContact O-N 3.22Å; N122-A124 VanDerWaalsContact O-N 3.08Å; N122-A124 WeakPolarHBondContact OD1-CB 3.24Å; N122-A124 PolarHBondContact OD1-N 3.44Å
125Q26.3Very low27.9Very low124 Ų124107.7 Ų107.758%0.57957%0.573SS**THydrogen-bonded Turntrans-123.7-10.2-171.4-69-173.2-40.100114.6N122 A123 V127N122-Q125 PolarHBondContact ND2-OE1 3.3Å; N122-Q125 VanDerWaalsContact ND2-OE1 3.11Å; N122-Q125 PolarHBondContact O-N 3.16Å; N122-Q125 VanDerWaalsContact O-N 3.08Å; A123-Q125 VanDerWaalsContact C-N 3.35Å; Q125-V127 WeakPolarHBondContact O-CG2 2.78Å; Q125-V127 PolarHBondContact O-N 3.3Å; Q125-V127 VanDerWaalsContact O-N 3.12Å
126G24.4Very low27.6Very low58 Ų58108.7 Ų108.760%0.59858%0.583SS**THydrogen-bonded Turntrans62.915.5-177.900000114.4N122N122-G126 PolarHBondContact O-N 2.91Å
127V24.9Very low27.3Very low78 Ų78107.4 Ų107.447%0.47359%0.585SS.*EExtended strand (participates in β ladder)trans-118.3126.6-177.3179.70000110Q125 K129Q125-V127 WeakPolarHBondContact O-CG2 2.78Å; Q125-V127 PolarHBondContact O-N 3.3Å; Q125-V127 VanDerWaalsContact O-N 3.12Å; V127-K129 HydrophobicContact CG1-CG 4.34Å
128T29Very low27Very low99 Ų99113 Ų11361%0.60761%0.608SS**EExtended strand (participates in β ladder)trans-80.5120169.4-7.90000109
129K27.3Very low26.9Very low108 Ų108114 Ų11447%0.4761%0.614SS.*EExtended strand (participates in β ladder)trans-107.8124.5171.4-75.5-173.3177.3-177.80109.5V127 Y131V127-K129 HydrophobicContact CG1-CG 4.34Å; K129-Y131 HydrophobicContact CB-CD2 4.15Å; K129-Y131 HydrophobicContact CB-CE2 3.46Å; K129-Y131 VanDerWaalsContact CB-CE2 3.46Å; K129-Y131 HydrophobicContact CD-CE2 4.48Å; K129-Y131 WeakPolarHBondContact CD-OH 2.81Å; K129-Y131 WeakPolarHBondContact O-CD2 3.36Å
130R30.2Very low26.7Very low205 Ų205118.7 Ų118.777%0.77463%0.627SS**EExtended strand (participates in β ladder)trans-75.8122.4169.5-75.9-176.2-176.6-1801.4108.2
131Y28.5Very low26.6Very low130 Ų130120.9 Ų120.951%0.5164%0.642SS.*EExtended strand (participates in β ladder)trans-110.6128.2171.9-69.8-83.1000109.7V120 K129V120-Y131 HydrophobicContact CB-CD2 4.09Å; V120-Y131 HydrophobicContact CB-CE2 4.25Å; V120-Y131 HydrophobicContact CG2-CD2 3.98Å; K129-Y131 HydrophobicContact CB-CD2 4.15Å; K129-Y131 HydrophobicContact CB-CE2 3.46Å; K129-Y131 VanDerWaalsContact CB-CE2 3.46Å; K129-Y131 HydrophobicContact CD-CE2 4.48Å; K129-Y131 WeakPolarHBondContact CD-OH 2.81Å; K129-Y131 WeakPolarHBondContact O-CD2 3.36Å
132F26Very low26.6Very low178 Ų178122.8 Ų122.878%0.78165%0.649SS**  trans-84.4141.7165.6-73.2-90.6000108.7
133K29.1Very low26.5Very low219 Ų219127.1 Ų127.195%0.95266%0.662SS**SBendtrans-48.8140-164.5-164.2176.2-1771780115.5
134G24.6Very low26.4Very low71 Ų71131.2 Ų131.273%0.73268%0.681SS**  trans17722170.400000119.6
135M25.7Very low26.2Very low175 Ų175132.6 Ų132.686%0.86268%0.681SS**  trans-138.8141.6177.2-68.6-162.7-45.500115.1T137M135-T137 PolarHBondContact O-N 3.41Å
136S23.7Very low26.1Very low118 Ų118135 Ų13583%0.82569%0.691SS**  trans-85.371.9-169.152.60000113.9
137T26Very low26Very low117 Ų117137.1 Ų137.172%0.71870%0.696SS**  trans-128.1112.7167.4-0.30000108.8M135 V139M135-T137 PolarHBondContact O-N 3.41Å; T137-V139 PolarHBondContact O-N 3.38Å; T137-V139 VanDerWaalsContact O-N 3.08Å
138F24.1Very low25.9Very low211 Ų211144.1 Ų144.193%0.92572%0.716SS**  trans-69.7103.2177-72.9-86.2000109.5
139V27.9Very low25.8Very low77 Ų77141.8 Ų141.847%0.46771%0.712SS.*  trans-95.6111.8164.8-177.80000106.8T137 C141T137-V139 PolarHBondContact O-N 3.38Å; T137-V139 VanDerWaalsContact O-N 3.08Å; V139-C141 PolarHBondContact O-N 2.79Å
140K25.4Very low25.6Very low172 Ų172143.3 Ų143.375%0.74872%0.718SS**  trans-78.4100.7168.8-92.4-179.4176.7173.30108.3Y142K140-Y142 HydrophobicContact CB-CE2 4.26Å
141C27.6Very low25.5Very low57 Ų57135.6 Ų135.639%0.38570%0.695SS.*PPolyproline II helixtrans-83.3123168.5-64.10000109V139 Y143V139-C141 PolarHBondContact O-N 2.79Å; C141-Y143 HydrophobicContact CB-CE2 4.05Å
142Y26.9Very low25.4Very low179 Ų179132.5 Ų132.570%0.70270%0.696SS**PPolyproline II helixtrans-94.4122.3168.6-68-89000108.5K140K140-Y142 HydrophobicContact CB-CE2 4.26Å
143Y26.1Very low25.5Very low142 Ų142130.7 Ų130.756%0.55769%0.688SS**PPolyproline II helixtrans-98.6126.4169-66.6-87.2000108.3C141C141-Y143 HydrophobicContact CB-CE2 4.05Å
144V24.7Very low25.4Very low146 Ų146122.7 Ų122.789%0.88566%0.656SS**  trans-101.1106.5162.4-178.80000106.3
145T23Very low25.6Very low121 Ų121124.1 Ų124.174%0.74265%0.654SS**  trans-92.1107.617244.20000108.4
146E23.1Very low25.6Very low173 Ų173121.2 Ų121.281%0.80864%0.642SS**  trans-167.9127.6142.7-106.5168.6-151.500110.9
147C22.1Very low25.7Very low104 Ų104123.4 Ų123.470%0.70364%0.639SS**SBendtrans38.7112.8154-63.70000119.6
148Y23.9Very low25.7Very low225 Ų225125.9 Ų125.988%0.88264%0.635SS**SBendtrans62.881.5162.7-63-84.3000116.2
149G25.7Very low25.7Very low50 Ų50122.7 Ų122.752%0.51563%0.628SS.*  trans75.782.9152.900000115.3
150F24.3Very low25.6Very low140 Ų140124.7 Ų124.761%0.61464%0.635SS**  trans-139.5140.4163.9-77.2-85.1000111.5
151C26.4Very low25.7Very low42 Ų42120.8 Ų120.828%0.28464%0.635SS.*PPolyproline II helixtrans-97134178.5-46.50000108.7C23C23-C151 HydrophobicContact CB-CB 3.51Å; C23-C151 WeakPolarHBondContact CB-SG 3.47Å; C23-C151 PolarHBondContact N-SG 3.35Å; C23-C151 VanDerWaalsContact N-SG 3.38Å; C23-C151 WeakPolarHBondContact SG-CB 3.33Å; C23-C151 CovalentContact SG-SG 2.03Å; C23-C151 PolarHBondContact SG-SG 3.25Å
152A26.9Very low25.9Very low65 Ų65129.3 Ų129.354%0.53768%0.676SS.*PPolyproline II helixtrans-76.4148.9-177.400000112.6
153F27.6Very low25.8Very low140 Ų140126.8 Ų126.861%0.61468%0.675SS**PPolyproline II helixtrans-103.5137.2172.6-64.5-87000110.5L76L76-F153 HydrophobicContact CD1-CE1 4.11Å
154I28.3Very low25.8Very low51 Ų51126 Ų12626%0.26268%0.681SS.*  trans-109.2114.3170.3-72.2165.7000108.1V92 L156V92-I154 HydrophobicContact CB-CD1 3.62Å; V92-I154 HydrophobicContact CG1-CD1 3.35Å; V92-I154 HydrophobicContact CG2-CD1 3.33Å; I154-L156 HydrophobicContact CG2-CG 4.36Å
155S27.9Very low25.9Very low101 Ų101124.9 Ų124.971%0.70667%0.67SS**  trans-99.8113165-175.50000108Q157S155-Q157 PolarHBondContact O-N 2.94Å
156L26.8Very low26Very low115 Ų115125.1 Ų125.160%0.60267%0.665SS**  trans-80.294.3168.5-80.4164.6000108.2I90 I154I90-L156 HydrophobicContact CG1-CD1 4.37Å; I90-L156 HydrophobicContact CG2-CD1 4.25Å; I154-L156 HydrophobicContact CG2-CG 4.36Å
157Q24.9Very low26.2Very low163 Ų163122.1 Ų122.176%0.76266%0.656SS**  trans-87108.6164.3-161.1168.6-9.400107.9S155 D159S155-Q157 PolarHBondContact O-N 2.94Å; Q157-D159 PolarHBondContact O-N 2.86Å
158R25.6Very low26.5Very low170 Ų170123.3 Ų123.364%0.64265%0.653SS**  trans-75.8109.3166-129-179-174.6166.82.7106.4S86 I160S86-R158 PolarHBondContact OG-NH2 3.31Å; S86-R158 VanDerWaalsContact OG-NH2 3.11Å; R158-I160 PolarHBondContact O-N 2.96Å; R158-I160 VanDerWaalsContact O-N 3.17Å
159D25.7Very low26.7Very low144 Ų144116.1 Ų116.177%0.7764%0.637SS**  trans-63.1114.7159-84.7-32.3000107.1Q157 A161Q157-D159 PolarHBondContact O-N 2.86Å; D159-A161 VanDerWaalsContact C-N 3.28Å; D159-A161 PolarHBondContact O-N 3.28Å; D159-A161 VanDerWaalsContact O-N 3.08Å
160I25.7Very low26.7Very low119 Ų119121.2 Ų121.261%0.6165%0.646SS**  trans-72.395.8162.4-60.9173.7000104.4R158 N162R158-I160 PolarHBondContact O-N 2.96Å; R158-I160 VanDerWaalsContact O-N 3.17Å; I160-N162 PolarHBondContact O-N 3.41Å
161A26.5Very low26.9Very low90 Ų90119.6 Ų119.674%0.74465%0.649SS**  trans-65.1128.2155.100000106.9D159D159-A161 VanDerWaalsContact C-N 3.28Å; D159-A161 PolarHBondContact O-N 3.28Å; D159-A161 VanDerWaalsContact O-N 3.08Å
162N31.1Very low27Very low235 Ų235126.6 Ų126.6100%1.25768%0.682SS**  trans-41.40-179.8-71.4-39.8000114.1I160I160-N162 PolarHBondContact O-N 3.41Å

Retrieved 162 of 162 residues in 159.1 ms (Link to these results)