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N-acylglucosamine-6-phosphate 2-epimerase

Converts N-acetylmannosamine-6-phosphate (ManNAc-6-P) to N-acetylglucosamine-6-phosphate (GlcNAc-6-P).

AlphaFold DB , UniProt , Accession A0A077ZDW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 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
1M85.3Confident96.8Very high97 Ų9769.8 Ų69.848%0.47840%0.397SS..  022.90-81-72.8-78.300116.2L3 M4 A5 D23 I27M1-L3 PolarHBondContact O-N 3.47Å; M1-M4 HydrophobicContact CE-CB 4.03Å; M1-M4 HydrophobicContact CE-CG 4.12Å; M1-M4 PolarHBondContact O-N 3.45Å; M1-A5 PolarHBondContact O-N 3.31Å; M1-D23 WeakPolarHBondContact CB-OD2 3.48Å; M1-D23 WeakPolarHBondContact CG-OD2 3.39Å; M1-D23 PolarHBondContact N-OD1 2.61Å; M1-D23 PolarHBondContact N-OD2 2.91Å; M1-I27 HydrophobicContact CB-CD1 4.35Å
2P94.9Very high96.9Very high28 Ų2868.6 Ų68.618%0.18241%0.411CS..Hα-helixtrans-70.2-34.7-164.329.5-38.1000115.5M4 A5 L6 Q26 I27 K30P2-M4 VanDerWaalsContact C-N 3.27Å; P2-M4 PolarHBondContact O-N 3.31Å; P2-A5 PolarHBondContact O-N 2.91Å; P2-L6 PolarHBondContact O-N 2.6Å; P2-Q26 HydrophobicContact CB-CB 4.21Å; P2-Q26 WeakPolarHBondContact CB-O 3.36Å; P2-Q26 HydrophobicContact CG-CB 4.18Å; P2-I27 HydrophobicContact CB-CG1 4.45Å; P2-K30 HydrophobicContact CB-CB 4.47Å; P2-K30 HydrophobicContact CB-CG 3.91Å
3L97.6Very high97Very high134 Ų13466.2 Ų66.270%0.70240%0.403SS*.Hα-helixtrans-66.5-30.7179.9-61.3179.3000112.6M1 L6 A7M1-L3 PolarHBondContact O-N 3.47Å; L3-L6 PolarHBondContact O-N 2.88Å; L3-A7 PolarHBondContact O-N 3.15Å
4M97.9Very high97.1Very high66 Ų6670.6 Ų70.633%0.32543%0.43SS..Hα-helixtrans-71.8-37.3175.9-167.662.767.400111.4M1 P2 A7 A8 T179M1-M4 HydrophobicContact CE-CB 4.03Å; M1-M4 HydrophobicContact CE-CG 4.12Å; M1-M4 PolarHBondContact O-N 3.45Å; P2-M4 VanDerWaalsContact C-N 3.27Å; P2-M4 PolarHBondContact O-N 3.31Å; M4-A7 PolarHBondContact O-N 3.44Å; M4-A8 WeakPolarHBondContact O-CB 3.48Å; M4-A8 PolarHBondContact O-N 3.29Å; M4-T179 HydrophobicContact CG-CG2 3.44Å; M4-T179 VanDerWaalsContact CG-CG2 3.44Å; M4-T179 HydrophobicContact SD-CG2 4.07Å
5A98.3Very high97.2Very high5 Ų568.1 Ų68.14%0.04142%0.424CS..Hα-helixtrans-66.1-39.7173.700000111.7M1 P2 A8 K9 I16 I27 V31M1-A5 PolarHBondContact O-N 3.31Å; P2-A5 PolarHBondContact O-N 2.91Å; A5-A8 PolarHBondContact O-N 2.95Å; A5-K9 PolarHBondContact O-N 3.35Å; A5-I16 HydrophobicContact CB-CD1 4.01Å; A5-I16 HydrophobicContact CB-CG1 4.19Å; A5-I16 HydrophobicContact CB-CG2 4.26Å; A5-I27 HydrophobicContact CB-CB 4.41Å; A5-I27 HydrophobicContact CB-CD1 4.26Å; A5-I27 HydrophobicContact CB-CG1 3.87Å; A5-I27 HydrophobicContact CB-CG2 3.75Å; A5-V31 HydrophobicContact CB-CG1 4.4Å; A5-V31 HydrophobicContact CB-CG2 4.35Å
6L98.3Very high97.3Very high52 Ų5265.1 Ų65.127%0.27240%0.404SS..Hα-helixtrans-60.6-46.9173.3-179.261.3000111.5P2 L3 A8 K9 E10 V31P2-L6 PolarHBondContact O-N 2.6Å; L3-L6 PolarHBondContact O-N 2.88Å; L6-A8 VanDerWaalsContact C-N 3.31Å; L6-A8 PolarHBondContact O-N 3.26Å; L6-K9 WeakPolarHBondContact O-CB 3.5Å; L6-K9 PolarHBondContact O-N 3.41Å; L6-E10 HydrophobicContact CD1-CG 4.37Å; L6-E10 WeakPolarHBondContact O-CG 3.3Å; L6-E10 PolarHBondContact O-N 3.38Å; L6-V31 HydrophobicContact CB-CG1 4.32Å; L6-V31 HydrophobicContact CD1-CG1 4.34Å
7A98.5Very high97.4Very high48 Ų4864.1 Ų64.140%0.39739%0.39SS..Hα-helixtrans-59.6-40.8175.500000112.3L3 M4 E10 A11L3-A7 PolarHBondContact O-N 3.15Å; M4-A7 PolarHBondContact O-N 3.44Å; A7-E10 PolarHBondContact O-N 3.29Å; A7-A11 WeakPolarHBondContact O-CB 3.43Å; A7-A11 PolarHBondContact O-N 3.46Å
8A98.5Very high97.4Very high24 Ų2460.9 Ų60.920%0.19837%0.372CS..Hα-helixtrans-63.5-43175.300000112M4 A5 L6 A11 G12 A13 I16M4-A8 WeakPolarHBondContact O-CB 3.48Å; M4-A8 PolarHBondContact O-N 3.29Å; A5-A8 PolarHBondContact O-N 2.95Å; L6-A8 VanDerWaalsContact C-N 3.31Å; L6-A8 PolarHBondContact O-N 3.26Å; A8-A11 PolarHBondContact O-N 2.76Å; A8-G12 PolarHBondContact O-N 2.73Å; A8-A13 HydrophobicContact CB-CB 3.96Å; A8-A13 WeakPolarHBondContact O-CB 3.49Å; A8-A13 PolarHBondContact O-N 2.91Å; A8-I16 HydrophobicContact CB-CD1 3.89Å
9K98.2Very high97.5Very high71 Ų7160.5 Ų60.531%0.30937%0.367SS..Hα-helixtrans-59.6-48.9174.1176.1179.3169.4173.60111.6A5 L6 A11 G12 V31 D32 L33A5-K9 PolarHBondContact O-N 3.35Å; L6-K9 WeakPolarHBondContact O-CB 3.5Å; L6-K9 PolarHBondContact O-N 3.41Å; K9-A11 PolarHBondContact O-N 3Å; K9-G12 PolarHBondContact O-N 3.24Å; K9-V31 HydrophobicContact CB-CG1 4Å; K9-V31 HydrophobicContact CD-CB 3.95Å; K9-V31 HydrophobicContact CD-CG1 3.91Å; K9-D32 WeakPolarHBondContact CE-OD1 3.3Å; K9-D32 IonicContact NZ-OD1 2.65Å; K9-D32 PolarHBondContact NZ-OD1 3.42Å; K9-D32 IonicContact NZ-OD2 3.04Å; K9-D32 PolarHBondContact NZ-OD2 3.45Å; K9-L33 HydrophobicContact CB-CD1 3.7Å; K9-L33 HydrophobicContact CB-CG 4.36Å; K9-L33 HydrophobicContact CD-CG 4.44Å; K9-L33 HydrophobicContact CG-CD1 4.09Å; K9-L33 HydrophobicContact CG-CG 4.27Å
10E98.4Very high97.5Very high151 Ų15159.9 Ų59.971%0.70636%0.364SS*.Hα-helixtrans-61.8-30.9179.4-71.8176174.200112.4L6 A7 G12L6-E10 HydrophobicContact CD1-CG 4.37Å; L6-E10 WeakPolarHBondContact O-CG 3.3Å; L6-E10 PolarHBondContact O-N 3.38Å; A7-E10 PolarHBondContact O-N 3.29Å; E10-G12 VanDerWaalsContact C-N 3.28Å; E10-G12 PolarHBondContact O-N 2.92Å
11A98.3Very high97.6Very high92 Ų9259.1 Ų59.176%0.7636%0.359SS*.THydrogen-bonded Turntrans-77.8-6.3173.200000114.3A7 A8 K9A7-A11 WeakPolarHBondContact O-CB 3.43Å; A7-A11 PolarHBondContact O-N 3.46Å; A8-A11 PolarHBondContact O-N 2.76Å; K9-A11 PolarHBondContact O-N 3Å
12G98.3Very high98.2Very high55 Ų5562.8 Ų62.857%0.56737%0.368SS*.THydrogen-bonded Turntrans96.118.2178.200000115.6A8 K9 E10A8-G12 PolarHBondContact O-N 2.73Å; K9-G12 PolarHBondContact O-N 3.24Å; E10-G12 VanDerWaalsContact C-N 3.28Å; E10-G12 PolarHBondContact O-N 2.92Å
13A98.4Very high98.4Very high37 Ų3763.1 Ų63.131%0.30637%0.368SS..  trans-61.4142.9170.900000111.1A8 L33A8-A13 HydrophobicContact CB-CB 3.96Å; A8-A13 WeakPolarHBondContact O-CB 3.49Å; A8-A13 PolarHBondContact O-N 2.91Å; A13-L33 VanDerWaalsContact O-CD1 3.27Å; A13-L33 WeakPolarHBondContact O-CD1 3.46Å; A13-L33 WeakPolarHBondContact O-CD2 3.38Å
14V98.4Very high98.4Very high129 Ų12956.7 Ų56.778%0.78234%0.335SS*.SBendtrans-100.3-2.5-176.4-61.40000113.9P34V14-P34 WeakPolarHBondContact O-CD 3.47Å; V14-P34 VanDerWaalsContact O-CG 3.29Å; V14-P34 WeakPolarHBondContact O-CG 3.28Å
15G98.6Very high98.4Very high32 Ų3258 Ų5833%0.3334%0.34SS..  trans-171.1162.8-17900000111.2P34G15-P34 CarbonylContact C-O 3.58Å; G15-P34 VanDerWaalsContact CA-O 3.29Å; G15-P34 WeakPolarHBondContact CA-O 3.19Å
16I98.6Very high98.4Very high20 Ų2060.7 Ų60.710%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-127.7138-179.1-59.1-65.2000109.6A5 A8 A18 I27 V31 L33 P34 I35 I36A5-I16 HydrophobicContact CB-CD1 4.01Å; A5-I16 HydrophobicContact CB-CG1 4.19Å; A5-I16 HydrophobicContact CB-CG2 4.26Å; A8-I16 HydrophobicContact CB-CD1 3.89Å; I16-A18 HydrophobicContact CG2-CB 4.43Å; I16-I27 HydrophobicContact CG2-CD1 4.22Å; I16-I27 HydrophobicContact CG2-CG2 4.22Å; I16-V31 HydrophobicContact CG1-CG2 4.45Å; I16-L33 HydrophobicContact CD1-CD1 4.18Å; I16-L33 HydrophobicContact CG1-CB 4.28Å; I16-L33 HydrophobicContact CG1-CD1 4.05Å; I16-P34 PolarHBondContact N-O 3.44Å; I16-I35 HydrophobicContact CB-CG1 4.49Å; I16-I35 CarbonylContact O-C 3.51Å; I16-I35 VanDerWaalsContact O-CA 3.23Å; I16-I35 WeakPolarHBondContact O-CA 3.39Å; I16-I36 PolarHBondContact O-N 3.37Å
17R98.7Very high98.4Very high48 Ų4858.4 Ų58.418%0.18134%0.339CS..EExtended strand (participates in β ladder)trans-104.7123.6167.2-175.4170.7170.2142.1-1.1109.8I36 D102 T123 E152 V173R17-I36 CarbonylContact C-O 3.56Å; R17-I36 WeakPolarHBondContact CA-O 3.12Å; R17-I36 HydrophobicContact CB-CB 4.2Å; R17-I36 HydrophobicContact CG-CB 4.1Å; R17-I36 HydrophobicContact CG-CG2 4.09Å; R17-D102 IonicContact CZ-OD1 3.36Å; R17-D102 IonicContact CZ-OD2 3.52Å; R17-D102 IonicContact NH1-OD1 2.72Å; R17-D102 PolarHBondContact NH1-OD1 3.31Å; R17-D102 IonicContact NH1-OD2 3.56Å; R17-D102 IonicContact NH2-OD1 2.81Å; R17-D102 PolarHBondContact NH2-OD1 2.77Å; R17-D102 IonicContact NH2-OD2 2.63Å; R17-D102 PolarHBondContact NH2-OD2 3.2Å; R17-T123 PolarHBondContact NH1-OG1 2.8Å; R17-E152 WeakPolarHBondContact CD-OE1 3.29Å; R17-E152 WeakPolarHBondContact CD-OE2 3.29Å; R17-E152 IonicContact CZ-OE1 3.21Å; R17-E152 IonicContact CZ-OE2 3.24Å; R17-E152 VanDerWaalsContact CZ-OE2 3.24Å; R17-E152 IonicContact NE-OE1 3.17Å; R17-E152 PolarHBondContact NE-OE1 2.95Å; R17-E152 VanDerWaalsContact NE-OE1 3.17Å; R17-E152 IonicContact NE-OE2 3.43Å; R17-E152 PolarHBondContact NE-OE2 2.83Å; R17-E152 VanDerWaalsContact NH1-CD 3.28Å; R17-E152 IonicContact NH1-OE1 3.4Å; R17-E152 PolarHBondContact NH1-OE1 2.92Å; R17-E152 IonicContact NH1-OE2 2.66Å; R17-E152 PolarHBondContact NH1-OE2 3.28Å; R17-E152 IonicContact NH2-OE1 3.78Å; R17-V173 HydrophobicContact CB-CG1 4.23Å
18A98.5Very high98.4Very high7 Ų759.4 Ų59.46%0.05834%0.336CS..EExtended strand (participates in β ladder)trans-133.9146.4-170.900000112.7I16 I24 I27 I35 I36 I38I16-A18 HydrophobicContact CG2-CB 4.43Å; A18-I24 HydrophobicContact CB-CG1 3.77Å; A18-I27 HydrophobicContact CB-CD1 3.6Å; A18-I35 HydrophobicContact CB-CG2 4.09Å; A18-I36 PolarHBondContact N-O 2.91Å; A18-I38 WeakPolarHBondContact O-CG1 3.25Å; A18-I38 PolarHBondContact O-N 3.28Å
19N98.4Very high98.4Very high53 Ų5365.2 Ų65.228%0.28336%0.359SS..EExtended strand (participates in β ladder)trans-112.9135.4-177.3173.950.3000110.9D23 I38 K40N19-D23 VanDerWaalsContact O-CB 3.27Å; N19-D23 WeakPolarHBondContact O-CB 3.33Å; N19-I38 CarbonylContact C-O 3.59Å; N19-I38 VanDerWaalsContact CA-O 3.31Å; N19-I38 WeakPolarHBondContact CA-O 3.12Å; N19-I38 HydrophobicContact CB-CD1 4.22Å; N19-I38 HydrophobicContact CB-CG1 3.85Å; N19-I38 PolarHBondContact OD1-O 2.94Å; N19-K40 PolarHBondContact OD1-N 2.8Å
20T98.2Very high98.3Very high48 Ų4867.4 Ų67.429%0.29437%0.369SS..SBendtrans76.7144-178.279.20000114.9R22 D23 I24 I38T20-R22 VanDerWaalsContact C-N 3.29Å; T20-R22 PolarHBondContact O-N 2.92Å; T20-D23 PolarHBondContact O-N 2.97Å; T20-D23 PolarHBondContact OG1-N 3.45Å; T20-I24 WeakPolarHBondContact O-CD1 3.33Å; T20-I24 VanDerWaalsContact O-CG1 3.3Å; T20-I24 WeakPolarHBondContact O-CG1 3.45Å; T20-I24 PolarHBondContact O-N 3.28Å; T20-I38 PolarHBondContact N-O 3.1Å
21V98.4Very high98.3Very high45 Ų4560.7 Ų60.727%0.27334%0.338SS..Hα-helixtrans-52.4-46.4175.7172.70000111.8D23 I24 Q25 I39 A59 T63V21-D23 PolarHBondContact O-N 3.08Å; V21-I24 PolarHBondContact O-N 3.08Å; V21-Q25 HydrophobicContact CG1-CG 4.35Å; V21-Q25 WeakPolarHBondContact O-CB 3.41Å; V21-Q25 WeakPolarHBondContact O-CG 3.41Å; V21-Q25 PolarHBondContact O-N 3.41Å; V21-I39 HydrophobicContact CG2-CD1 4.08Å; V21-A59 HydrophobicContact CG2-CB 4.04Å; V21-T63 HydrophobicContact CB-CG2 4.25Å; V21-T63 HydrophobicContact CG1-CG2 3.81Å; V21-T63 HydrophobicContact CG2-CG2 4.12Å
22R98.3Very high98.2Very high173 Ų17362.3 Ų62.365%0.65333%0.334SS*.Hα-helixtrans-57.5-49.9-179.4177.5-173.9169.1-174.3-1.1111.9T20 Q26T20-R22 VanDerWaalsContact C-N 3.29Å; T20-R22 PolarHBondContact O-N 2.92Å; R22-Q26 WeakPolarHBondContact O-CB 3.23Å; R22-Q26 VanDerWaalsContact O-CG 3.27Å; R22-Q26 WeakPolarHBondContact O-CG 3.37Å; R22-Q26 PolarHBondContact O-N 2.91Å; R22-Q26 VanDerWaalsContact O-N 3.1Å
23D98.3Very high98.2Very high35 Ų3561 Ų6119%0.18731%0.313CS..Hα-helixtrans-71.4-37.1-176.8-97.65.6000111.5M1 N19 T20 V21 Q26 I27M1-D23 WeakPolarHBondContact CB-OD2 3.48Å; M1-D23 WeakPolarHBondContact CG-OD2 3.39Å; M1-D23 PolarHBondContact N-OD1 2.61Å; M1-D23 PolarHBondContact N-OD2 2.91Å; N19-D23 VanDerWaalsContact O-CB 3.27Å; N19-D23 WeakPolarHBondContact O-CB 3.33Å; T20-D23 PolarHBondContact O-N 2.97Å; T20-D23 PolarHBondContact OG1-N 3.45Å; V21-D23 PolarHBondContact O-N 3.08Å; D23-Q26 PolarHBondContact O-N 3.5Å; D23-I27 WeakPolarHBondContact O-CB 3.47Å; D23-I27 WeakPolarHBondContact O-CD1 3.31Å; D23-I27 WeakPolarHBondContact O-CG1 3.43Å; D23-I27 PolarHBondContact O-N 2.94Å
24I98.6Very high98.2Very high0 Ų062.1 Ų62.10%032%0.318CS..Hα-helixtrans-58.2-53.3174-72163.9000110.4A18 T20 V21 Q26 I27 Q28 I35 L60 T63 V65A18-I24 HydrophobicContact CB-CG1 3.77Å; T20-I24 WeakPolarHBondContact O-CD1 3.33Å; T20-I24 VanDerWaalsContact O-CG1 3.3Å; T20-I24 WeakPolarHBondContact O-CG1 3.45Å; T20-I24 PolarHBondContact O-N 3.28Å; V21-I24 PolarHBondContact O-N 3.08Å; I24-Q26 VanDerWaalsContact C-N 3.35Å; I24-Q26 PolarHBondContact O-N 3.39Å; I24-I27 WeakPolarHBondContact O-CB 3.32Å; I24-I27 PolarHBondContact O-N 3.48Å; I24-I27 VanDerWaalsContact O-N 3.08Å; I24-Q28 HydrophobicContact CG2-CG 4.46Å; I24-Q28 WeakPolarHBondContact O-CG 3.48Å; I24-Q28 PolarHBondContact O-N 3.07Å; I24-I35 HydrophobicContact CG1-CG2 4.45Å; I24-L60 HydrophobicContact CD1-CD2 3.37Å; I24-T63 HydrophobicContact CG2-CG2 4.18Å; I24-V65 HydrophobicContact CD1-CG1 4.21Å; I24-V65 HydrophobicContact CG1-CG1 4.41Å; I24-V65 HydrophobicContact CG2-CG1 3.41Å; I24-V65 VanDerWaalsContact CG2-CG1 3.41Å
25Q98.2Very high98.3Very high93 Ų9356.1 Ų56.144%0.43528%0.281SS..Hα-helixtrans-60-43.8179.8-72.2174-24.600111.9V21 I27 Q28 E29 T63V21-Q25 HydrophobicContact CG1-CG 4.35Å; V21-Q25 WeakPolarHBondContact O-CB 3.41Å; V21-Q25 WeakPolarHBondContact O-CG 3.41Å; V21-Q25 PolarHBondContact O-N 3.41Å; Q25-I27 VanDerWaalsContact C-N 3.29Å; Q25-I27 PolarHBondContact O-N 3.48Å; Q25-Q28 PolarHBondContact O-N 2.92Å; Q25-E29 WeakPolarHBondContact O-CG 3.43Å; Q25-E29 PolarHBondContact O-N 3.36Å; Q25-E29 VanDerWaalsContact O-N 3.11Å; Q25-T63 HydrophobicContact CG-CG2 4.4Å
26Q98.4Very high98.3Very high61 Ų6155.7 Ų55.729%0.28527%0.271SS..Hα-helixtrans-63.8-32.8176.4-73.1-174.8-7.100113.2P2 R22 D23 I24P2-Q26 HydrophobicContact CB-CB 4.21Å; P2-Q26 WeakPolarHBondContact CB-O 3.36Å; P2-Q26 HydrophobicContact CG-CB 4.18Å; R22-Q26 WeakPolarHBondContact O-CB 3.23Å; R22-Q26 VanDerWaalsContact O-CG 3.27Å; R22-Q26 WeakPolarHBondContact O-CG 3.37Å; R22-Q26 PolarHBondContact O-N 2.91Å; R22-Q26 VanDerWaalsContact O-N 3.1Å; D23-Q26 PolarHBondContact O-N 3.5Å; I24-Q26 VanDerWaalsContact C-N 3.35Å; I24-Q26 PolarHBondContact O-N 3.39Å
27I98.6Very high98.3Very high4 Ų454.7 Ų54.72%0.02127%0.266CS..Hα-helixtrans-71.1-45.4175.6-73.3164.7000109.9M1 P2 A5 I16 A18 D23 I24 Q25 E29 K30 V31 I35M1-I27 HydrophobicContact CB-CD1 4.35Å; P2-I27 HydrophobicContact CB-CG1 4.45Å; A5-I27 HydrophobicContact CB-CB 4.41Å; A5-I27 HydrophobicContact CB-CD1 4.26Å; A5-I27 HydrophobicContact CB-CG1 3.87Å; A5-I27 HydrophobicContact CB-CG2 3.75Å; I16-I27 HydrophobicContact CG2-CD1 4.22Å; I16-I27 HydrophobicContact CG2-CG2 4.22Å; A18-I27 HydrophobicContact CB-CD1 3.6Å; D23-I27 WeakPolarHBondContact O-CB 3.47Å; D23-I27 WeakPolarHBondContact O-CD1 3.31Å; D23-I27 WeakPolarHBondContact O-CG1 3.43Å; D23-I27 PolarHBondContact O-N 2.94Å; I24-I27 WeakPolarHBondContact O-CB 3.32Å; I24-I27 PolarHBondContact O-N 3.48Å; I24-I27 VanDerWaalsContact O-N 3.08Å; Q25-I27 VanDerWaalsContact C-N 3.29Å; Q25-I27 PolarHBondContact O-N 3.48Å; I27-E29 PolarHBondContact O-N 2.95Å; I27-K30 PolarHBondContact O-N 3Å; I27-V31 HydrophobicContact CG2-CG2 3.51Å; I27-V31 WeakPolarHBondContact O-CG2 3.3Å; I27-V31 PolarHBondContact O-N 3.34Å; I27-I35 HydrophobicContact CB-CD1 4.31Å; I27-I35 HydrophobicContact CG2-CD1 3.69Å; I27-I35 HydrophobicContact CG2-CG1 4.45Å
28Q98.3Very high98.3Very high70 Ų7052.7 Ų52.733%0.32726%0.259SS..Hα-helixtrans-57.7-31.6176.7-70172.4-44.100112.6I24 Q25 K30 I35 T63I24-Q28 HydrophobicContact CG2-CG 4.46Å; I24-Q28 WeakPolarHBondContact O-CG 3.48Å; I24-Q28 PolarHBondContact O-N 3.07Å; Q25-Q28 PolarHBondContact O-N 2.92Å; Q28-K30 PolarHBondContact O-N 3.19Å; Q28-I35 HydrophobicContact CG-CD1 3.48Å; Q28-I35 VanDerWaalsContact CG-CD1 3.48Å; Q28-T63 PolarHBondContact NE2-O 3.47Å; Q28-T63 PolarHBondContact OE1-O 3.41Å
29E97.7Very high98.3Very high146 Ų14653.5 Ų53.568%0.68226%0.262SS*.THydrogen-bonded Turntrans-69.2-16.5173.8-72.1174.7-170.300114.3Q25 I27Q25-E29 WeakPolarHBondContact O-CG 3.43Å; Q25-E29 PolarHBondContact O-N 3.36Å; Q25-E29 VanDerWaalsContact O-N 3.11Å; I27-E29 PolarHBondContact O-N 2.95Å
30K97.2Very high98.3Very high117 Ų11755.1 Ų55.151%0.50927%0.266SS..THydrogen-bonded Turntrans-118.1-26.7-172.3-63.8-57.2-179.6-171.30114.5P2 I27 Q28P2-K30 HydrophobicContact CB-CB 4.47Å; P2-K30 HydrophobicContact CB-CG 3.91Å; I27-K30 PolarHBondContact O-N 3Å; Q28-K30 PolarHBondContact O-N 3.19Å
31V97.2Very high98.3Very high10 Ų1056.6 Ų56.66%0.06127%0.27CS..  trans-134.3151.2-179.3-55.70000110.8A5 L6 K9 I16 I27 L33A5-V31 HydrophobicContact CB-CG1 4.4Å; A5-V31 HydrophobicContact CB-CG2 4.35Å; L6-V31 HydrophobicContact CB-CG1 4.32Å; L6-V31 HydrophobicContact CD1-CG1 4.34Å; K9-V31 HydrophobicContact CB-CG1 4Å; K9-V31 HydrophobicContact CD-CB 3.95Å; K9-V31 HydrophobicContact CD-CG1 3.91Å; I16-V31 HydrophobicContact CG1-CG2 4.45Å; I27-V31 HydrophobicContact CG2-CG2 3.51Å; I27-V31 WeakPolarHBondContact O-CG2 3.3Å; I27-V31 PolarHBondContact O-N 3.34Å; V31-L33 HydrophobicContact CG2-CB 4.46Å
32D97.5Very high98.2Very high126 Ų12659.6 Ų59.667%0.67429%0.288SS*.  trans-105.420.2179.556.7-2.5000111.8K9K9-D32 WeakPolarHBondContact CE-OD1 3.3Å; K9-D32 IonicContact NZ-OD1 2.65Å; K9-D32 PolarHBondContact NZ-OD1 3.42Å; K9-D32 IonicContact NZ-OD2 3.04Å; K9-D32 PolarHBondContact NZ-OD2 3.45Å
33L98.4Very high98.1Very high26 Ų2654.1 Ų54.114%0.13627%0.268CS..SBendtrans-85.2147.5178.1-65.9179.2000110.6K9 A13 I16 V31K9-L33 HydrophobicContact CB-CD1 3.7Å; K9-L33 HydrophobicContact CB-CG 4.36Å; K9-L33 HydrophobicContact CD-CG 4.44Å; K9-L33 HydrophobicContact CG-CD1 4.09Å; K9-L33 HydrophobicContact CG-CG 4.27Å; A13-L33 VanDerWaalsContact O-CD1 3.27Å; A13-L33 WeakPolarHBondContact O-CD1 3.46Å; A13-L33 WeakPolarHBondContact O-CD2 3.38Å; I16-L33 HydrophobicContact CD1-CD1 4.18Å; I16-L33 HydrophobicContact CG1-CB 4.28Å; I16-L33 HydrophobicContact CG1-CD1 4.05Å; V31-L33 HydrophobicContact CG2-CB 4.46Å
34P98.5Very high97.8Very high62 Ų6258.7 Ų58.740%0.40330%0.3SS..  trans-61.8142.8173.627.6-35.3000111.2V14 G15 I16 E66V14-P34 WeakPolarHBondContact O-CD 3.47Å; V14-P34 VanDerWaalsContact O-CG 3.29Å; V14-P34 WeakPolarHBondContact O-CG 3.28Å; G15-P34 CarbonylContact C-O 3.58Å; G15-P34 VanDerWaalsContact CA-O 3.29Å; G15-P34 WeakPolarHBondContact CA-O 3.19Å; I16-P34 PolarHBondContact N-O 3.44Å; P34-E66 WeakPolarHBondContact CA-OE2 3.21Å; P34-E66 HydrophobicContact CB-CB 4.17Å; P34-E66 HydrophobicContact CB-CG 3.9Å
35I98.8Very high97.5Very high3 Ų365.6 Ų65.62%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-115.8128.4-174.9-57.8179.9000110.9I16 A18 I24 I27 Q28 V65 E66 V67I16-I35 HydrophobicContact CB-CG1 4.49Å; I16-I35 CarbonylContact O-C 3.51Å; I16-I35 VanDerWaalsContact O-CA 3.23Å; I16-I35 WeakPolarHBondContact O-CA 3.39Å; A18-I35 HydrophobicContact CB-CG2 4.09Å; I24-I35 HydrophobicContact CG1-CG2 4.45Å; I27-I35 HydrophobicContact CB-CD1 4.31Å; I27-I35 HydrophobicContact CG2-CD1 3.69Å; I27-I35 HydrophobicContact CG2-CG1 4.45Å; Q28-I35 HydrophobicContact CG-CD1 3.48Å; Q28-I35 VanDerWaalsContact CG-CD1 3.48Å; I35-V65 HydrophobicContact CB-CB 4.47Å; I35-V65 HydrophobicContact CB-CG1 3.96Å; I35-V65 HydrophobicContact CG2-CG1 3.73Å; I35-E66 PolarHBondContact N-OE2 2.9Å; I35-E66 PolarHBondContact O-N 2.95Å; I35-V67 PolarHBondContact O-N 2.95Å; I35-V67 VanDerWaalsContact O-N 3.17Å
36I98.9Very high97.2Very high22 Ų2262 Ų6211%0.11332%0.322CS..EExtended strand (participates in β ladder)trans-88.2106.5161.5-58.8164.9000107.4I16 R17 A18 V67 A69 M100 I150 V173I16-I36 PolarHBondContact O-N 3.37Å; R17-I36 CarbonylContact C-O 3.56Å; R17-I36 WeakPolarHBondContact CA-O 3.12Å; R17-I36 HydrophobicContact CB-CB 4.2Å; R17-I36 HydrophobicContact CG-CB 4.1Å; R17-I36 HydrophobicContact CG-CG2 4.09Å; A18-I36 PolarHBondContact N-O 2.91Å; I36-V67 CarbonylContact C-O 3.15Å; I36-V67 WeakPolarHBondContact CA-O 3.28Å; I36-V67 HydrophobicContact CB-CB 4.4Å; I36-V67 HydrophobicContact CG1-CB 3.92Å; I36-V67 HydrophobicContact CG1-CG1 4.25Å; I36-V67 HydrophobicContact CG1-CG2 4.34Å; I36-V67 HydrophobicContact CG2-CB 4.47Å; I36-V67 HydrophobicContact CG2-CG1 4.28Å; I36-A69 HydrophobicContact CG2-CB 3.58Å; I36-M100 HydrophobicContact CD1-SD 3.96Å; I36-M100 HydrophobicContact CG2-SD 4.03Å; I36-I150 HydrophobicContact CD1-CD1 4.3Å; I36-V173 HydrophobicContact CD1-CG2 4.42Å
37G98.8Very high97.1Very high0 Ų064.7 Ų64.70%034%0.338CS..EExtended strand (participates in β ladder)trans-90.3137.3-179.100000112.7V67 A69G37-V67 PolarHBondContact N-O 3.37Å; G37-A69 PolarHBondContact O-N 2.9Å
38I98.9Very high97Very high6 Ų664.5 Ų64.53%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-134.2159.1168.763.8177.3000111.1A18 N19 T20 K40 I50 A69A18-I38 WeakPolarHBondContact O-CG1 3.25Å; A18-I38 PolarHBondContact O-N 3.28Å; N19-I38 CarbonylContact C-O 3.59Å; N19-I38 VanDerWaalsContact CA-O 3.31Å; N19-I38 WeakPolarHBondContact CA-O 3.12Å; N19-I38 HydrophobicContact CB-CD1 4.22Å; N19-I38 HydrophobicContact CB-CG1 3.85Å; N19-I38 PolarHBondContact OD1-O 2.94Å; T20-I38 PolarHBondContact N-O 3.1Å; I38-K40 HydrophobicContact CD1-CD 4.25Å; I38-K40 HydrophobicContact CD1-CG 4.08Å; I38-I50 HydrophobicContact CB-CG2 3.93Å; I38-I50 HydrophobicContact CD1-CG2 4.27Å; I38-I50 HydrophobicContact CG2-CG2 3.79Å; I38-A69 HydrophobicContact CG2-CB 3.48Å; I38-A69 VanDerWaalsContact CG2-CB 3.48Å
39I98.7Very high96.9Very high23 Ų2364.4 Ų64.412%0.11834%0.336CS..  trans-125114162.3-62.6176.3000108.4V21 Q41 T51 E56 A59 L60V21-I39 HydrophobicContact CG2-CD1 4.08Å; I39-Q41 HydrophobicContact CG2-CB 4.32Å; I39-Q41 PolarHBondContact O-N 3.11Å; I39-T51 PolarHBondContact N-OG1 3.19Å; I39-T51 WeakPolarHBondContact O-CA 3.36Å; I39-T51 PolarHBondContact O-N 3.39Å; I39-E56 HydrophobicContact CB-CB 3.98Å; I39-E56 HydrophobicContact CB-CG 3.78Å; I39-E56 HydrophobicContact CD1-CB 4.21Å; I39-E56 HydrophobicContact CD1-CG 4.35Å; I39-E56 HydrophobicContact CG2-CB 4.41Å; I39-E56 HydrophobicContact CG2-CG 3.66Å; I39-A59 HydrophobicContact CD1-CB 3.78Å; I39-L60 HydrophobicContact CD1-CD2 4.28Å; I39-L60 HydrophobicContact CD1-CG 3.92Å; I39-L60 HydrophobicContact CG1-CD1 4.16Å; I39-L60 HydrophobicContact CG1-CD2 3.87Å; I39-L60 HydrophobicContact CG1-CG 3.83Å
40K98.1Very high97Very high87 Ų8757.5 Ų57.538%0.37830%0.304SS..BIsolated β-bridgetrans-81.4105.6172.3-71-179.4171.6-173.30109.6N19 I38 F49 I50N19-K40 PolarHBondContact OD1-N 2.8Å; I38-K40 HydrophobicContact CD1-CD 4.25Å; I38-K40 HydrophobicContact CD1-CG 4.08Å; K40-F49 CarbonylContact C-O 3.53Å; K40-F49 VanDerWaalsContact CA-O 3.23Å; K40-F49 WeakPolarHBondContact CA-O 3.4Å; K40-F49 HydrophobicContact CB-CD2 4.07Å; K40-F49 HydrophobicContact CB-CE2 4.41Å; K40-F49 HydrophobicContact CD-CD2 4.34Å; K40-F49 HydrophobicContact CD-CE2 3.82Å; K40-F49 HydrophobicContact CG-CD2 3.97Å; K40-F49 HydrophobicContact CG-CE2 3.91Å; K40-I50 HydrophobicContact CG-CG1 4.38Å
41Q97.8Very high97Very high79 Ų7952 Ų5237%0.36928%0.28SS..  trans-131.8124.5-179.5-18059.448.300110I39 Y43 F49 P52 E56I39-Q41 HydrophobicContact CG2-CB 4.32Å; I39-Q41 PolarHBondContact O-N 3.11Å; Q41-Y43 HydrophobicContact CB-CE2 4.06Å; Q41-Y43 HydrophobicContact CG-CD2 4.11Å; Q41-Y43 HydrophobicContact CG-CE2 3.44Å; Q41-Y43 VanDerWaalsContact CG-CE2 3.44Å; Q41-F49 PolarHBondContact N-O 3.38Å; Q41-F49 VanDerWaalsContact O-CA 3.3Å; Q41-F49 WeakPolarHBondContact O-CA 3.17Å; Q41-F49 WeakPolarHBondContact O-CB 3.22Å; Q41-P52 HydrophobicContact CB-CG 4.39Å; Q41-E56 HydrophobicContact CB-CG 4.32Å
42T96.6Very high97.1Very high108 Ų10851.5 Ų51.566%0.66328%0.277SS*.  trans-85.5145.4176.254.40000111F49T42-F49 HydrophobicContact CG2-CB 4.47Å
43Y96.5Very high97.1Very high59 Ų5946.1 Ų46.123%0.23125%0.248CC..BIsolated β-bridgetrans-128139.7175.1-75-99.5000108.8Q41 N45 S46 P52 T53 E56 P78Q41-Y43 HydrophobicContact CB-CE2 4.06Å; Q41-Y43 HydrophobicContact CG-CD2 4.11Å; Q41-Y43 HydrophobicContact CG-CE2 3.44Å; Q41-Y43 VanDerWaalsContact CG-CE2 3.44Å; Y43-N45 PolarHBondContact O-N 3.42Å; Y43-N45 VanDerWaalsContact O-N 3.09Å; Y43-S46 PolarHBondContact O-N 2.98Å; Y43-P52 HydrophobicContact CD2-CB 4.27Å; Y43-P52 HydrophobicContact CD2-CG 3.68Å; Y43-P52 HydrophobicContact CE2-CB 4.2Å; Y43-P52 HydrophobicContact CE2-CG 3.28Å; Y43-T53 HydrophobicContact CE1-CG2 4.5Å; Y43-T53 HydrophobicContact CE2-CG2 4.45Å; Y43-E56 PolarHBondContact OH-OE1 3.14Å; Y43-E56 PolarHBondContact OH-OE2 3.02Å; Y43-P78 VanDerWaalsContact CB-CB 3.46Å; Y43-P78 HydrophobicContact CD1-CB 3.7Å; Y43-P78 HydrophobicContact CD1-CG 4.07Å; Y43-P78 HydrophobicContact CD2-CB 4.15Å; Y43-P78 HydrophobicContact CD2-CG 3.81Å; Y43-P78 HydrophobicContact CE1-CB 4.49Å; Y43-P78 HydrophobicContact CE2-CG 4.32Å; Y43-P78 HydrophobicContact CG-CB 3.5Å; Y43-P78 VanDerWaalsContact CG-CB 3.5Å; Y43-P78 HydrophobicContact CG-CG 3.69Å
44P92.7Very high97.1Very high131 Ų13145.7 Ų45.785%0.85125%0.246SC*.THydrogen-bonded Turntrans-59-25.7-171.9-28.135.6000116.3
45N90.8Very high97.1Very high144 Ų14449.1 Ų49.177%0.7725%0.254SS*.THydrogen-bonded Turntrans-112.719.2-171.5-57.9-25.7000112.9Y43Y43-N45 PolarHBondContact O-N 3.42Å; Y43-N45 VanDerWaalsContact O-N 3.09Å
46S93.7Very high97.1Very high17 Ų1749.2 Ų49.212%0.11926%0.255CS..BIsolated β-bridgetrans-155134.7-174.1160.50000112.2Y43 V48 E76 P78Y43-S46 PolarHBondContact O-N 2.98Å; S46-V48 VanDerWaalsContact C-N 3.27Å; S46-V48 VanDerWaalsContact OG-CB 3.28Å; S46-V48 WeakPolarHBondContact OG-CB 3.24Å; S46-V48 PolarHBondContact OG-N 3.17Å; S46-V48 PolarHBondContact OG-O 2.99Å; S46-E76 PolarHBondContact OG-O 2.84Å; S46-P78 WeakPolarHBondContact OG-CD 3.49Å
47D94.6Very high97.1Very high119 Ų11948.2 Ų48.264%0.63625%0.25SC*.SBendtrans-82.3-5.1170.9-63.4-36.9000113R75D47-R75 PolarHBondContact O-NH1 2.95Å; D47-R75 VanDerWaalsContact O-NH1 3.11Å; D47-R75 PolarHBondContact O-NH2 3.14Å
48V96.6Very high97Very high0 Ų050.1 Ų50.10%026%0.26CS..  trans-76.1118.3171-179.60000108.4S46 P52 D71 R75S46-V48 VanDerWaalsContact C-N 3.27Å; S46-V48 VanDerWaalsContact OG-CB 3.28Å; S46-V48 WeakPolarHBondContact OG-CB 3.24Å; S46-V48 PolarHBondContact OG-N 3.17Å; S46-V48 PolarHBondContact OG-O 2.99Å; V48-P52 HydrophobicContact CG1-CB 3.98Å; V48-D71 HydrophobicContact CG1-CB 3.7Å; V48-R75 HydrophobicContact CG2-CB 3.97Å
49F97.3Very high97Very high67 Ų6751.1 Ų51.129%0.29427%0.269SS..  trans-134-10.9-175.673.7-84.6000115K40 Q41 T42K40-F49 CarbonylContact C-O 3.53Å; K40-F49 VanDerWaalsContact CA-O 3.23Å; K40-F49 WeakPolarHBondContact CA-O 3.4Å; K40-F49 HydrophobicContact CB-CD2 4.07Å; K40-F49 HydrophobicContact CB-CE2 4.41Å; K40-F49 HydrophobicContact CD-CD2 4.34Å; K40-F49 HydrophobicContact CD-CE2 3.82Å; K40-F49 HydrophobicContact CG-CD2 3.97Å; K40-F49 HydrophobicContact CG-CE2 3.91Å; Q41-F49 PolarHBondContact N-O 3.38Å; Q41-F49 VanDerWaalsContact O-CA 3.3Å; Q41-F49 WeakPolarHBondContact O-CA 3.17Å; Q41-F49 WeakPolarHBondContact O-CB 3.22Å; T42-F49 HydrophobicContact CG2-CB 4.47Å
50I98.4Very high97Very high2 Ų250 Ų501%0.0126%0.263CS..BIsolated β-bridgetrans-91.5108.9176.1-54.3177.5000108.4I38 K40 D71 L124I38-I50 HydrophobicContact CB-CG2 3.93Å; I38-I50 HydrophobicContact CD1-CG2 4.27Å; I38-I50 HydrophobicContact CG2-CG2 3.79Å; K40-I50 HydrophobicContact CG-CG1 4.38Å; I50-D71 HydrophobicContact CB-CB 4.09Å; I50-D71 WeakPolarHBondContact O-CB 2.89Å; I50-D71 PolarHBondContact O-N 3Å; I50-L124 HydrophobicContact CD1-CD1 4.47Å; I50-L124 HydrophobicContact CD1-CD2 3.83Å; I50-L124 HydrophobicContact CD1-CG 4.3Å
51T98.6Very high97.1Very high0 Ų046.4 Ų46.40%025%0.25CC..SBendtrans45.458.6-178.6-45.90000111.1I39 T53 E56 V57 L60 I68 A69 L70 R77I39-T51 PolarHBondContact N-OG1 3.19Å; I39-T51 WeakPolarHBondContact O-CA 3.36Å; I39-T51 PolarHBondContact O-N 3.39Å; T51-T53 PolarHBondContact O-N 3.01Å; T51-E56 HydrophobicContact CG2-CB 3.83Å; T51-V57 HydrophobicContact CG2-CG2 3.78Å; T51-L60 HydrophobicContact CG2-CD1 3.75Å; T51-I68 HydrophobicContact CG2-CG2 4.25Å; T51-A69 VanDerWaalsContact CB-O 3.27Å; T51-A69 WeakPolarHBondContact CB-O 3.4Å; T51-A69 PolarHBondContact OG1-O 2.93Å; T51-L70 HydrophobicContact CG2-CB 4.21Å; T51-R77 PolarHBondContact O-NH2 3.29Å
52P97.9Very high97.1Very high0 Ų049.9 Ų49.90%027%0.266CS..  trans-72.2-25.3-164.728.3-36.1000113.9Q41 Y43 V48 E56 R77 P78Q41-P52 HydrophobicContact CB-CG 4.39Å; Y43-P52 HydrophobicContact CD2-CB 4.27Å; Y43-P52 HydrophobicContact CD2-CG 3.68Å; Y43-P52 HydrophobicContact CE2-CB 4.2Å; Y43-P52 HydrophobicContact CE2-CG 3.28Å; V48-P52 HydrophobicContact CG1-CB 3.98Å; P52-E56 WeakPolarHBondContact CD-OE2 3.31Å; P52-E56 WeakPolarHBondContact CG-OE2 3.19Å; P52-R77 VanDerWaalsContact C-NH2 3.25Å; P52-R77 VanDerWaalsContact O-CZ 3.26Å; P52-R77 PolarHBondContact O-NE 2.98Å; P52-R77 PolarHBondContact O-NH2 2.92Å; P52-P78 HydrophobicContact CB-CG 3.86Å
53T98.1Very high97.2Very high13 Ų1345 Ų458%0.0824%0.236CC..SBendtrans-135.7170.9-177.274.20000112.5Y43 T51 K55 E56 V57 P78 D79Y43-T53 HydrophobicContact CE1-CG2 4.5Å; Y43-T53 HydrophobicContact CE2-CG2 4.45Å; T51-T53 PolarHBondContact O-N 3.01Å; T53-K55 PolarHBondContact O-N 3.35Å; T53-K55 VanDerWaalsContact O-N 3.16Å; T53-K55 WeakPolarHBondContact OG1-CB 3.42Å; T53-K55 PolarHBondContact OG1-N 2.87Å; T53-E56 PolarHBondContact N-OE2 2.63Å; T53-E56 PolarHBondContact O-N 2.59Å; T53-E56 VanDerWaalsContact O-N 3.09Å; T53-E56 PolarHBondContact OG1-OE2 3.21Å; T53-V57 PolarHBondContact O-N 2.95Å; T53-P78 HydrophobicContact CG2-CG 3.73Å; T53-D79 HydrophobicContact CG2-CB 4.29Å
54M98.3Very high97.2Very high17 Ų1748.3 Ų48.38%0.08426%0.258CS..Hα-helixtrans-56.8-26.1171.4-80.1-57.5-60.600113.8E56 V57 D58 L86 Q89 I90 K93 Y94M54-E56 VanDerWaalsContact C-N 3.29Å; M54-E56 PolarHBondContact O-N 3.2Å; M54-V57 HydrophobicContact CE-CB 4.39Å; M54-V57 HydrophobicContact CE-CG1 4.3Å; M54-V57 PolarHBondContact O-N 2.78Å; M54-V57 HydrophobicContact SD-CB 4.23Å; M54-V57 HydrophobicContact SD-CG1 4.41Å; M54-V57 HydrophobicContact SD-CG2 4.31Å; M54-D58 WeakPolarHBondContact CE-OD1 3.43Å; M54-D58 WeakPolarHBondContact O-CB 3.39Å; M54-D58 PolarHBondContact O-N 3.05Å; M54-L86 HydrophobicContact CG-CD1 3.72Å; M54-L86 HydrophobicContact SD-CD1 3.67Å; M54-Q89 HydrophobicContact CE-CG 4.47Å; M54-Q89 HydrophobicContact CG-CG 4.07Å; M54-Q89 HydrophobicContact SD-CB 4.39Å; M54-Q89 HydrophobicContact SD-CG 4Å; M54-I90 HydrophobicContact SD-CG1 3.53Å; M54-I90 VanDerWaalsContact SD-CG1 3.53Å; M54-K93 HydrophobicContact CE-CD 3.75Å; M54-Y94 HydrophobicContact CE-CE2 4.15Å
55K98.2Very high97.5Very high134 Ų13442.2 Ų42.258%0.58322%0.218SC*.Hα-helixtrans-58.5-44.1175.3178.4-169.7167-163.50111.3T53 A59T53-K55 PolarHBondContact O-N 3.35Å; T53-K55 VanDerWaalsContact O-N 3.16Å; T53-K55 WeakPolarHBondContact OG1-CB 3.42Å; T53-K55 PolarHBondContact OG1-N 2.87Å; K55-A59 PolarHBondContact O-N 3.11Å
56E98.7Very high97.9Very high6 Ų639.6 Ų39.63%0.02820%0.202CC..Hα-helixtrans-74.1-36.1178.6-73.378.3-140.600111.8I39 Q41 Y43 T51 P52 T53 M54 A59 L60I39-E56 HydrophobicContact CB-CB 3.98Å; I39-E56 HydrophobicContact CB-CG 3.78Å; I39-E56 HydrophobicContact CD1-CB 4.21Å; I39-E56 HydrophobicContact CD1-CG 4.35Å; I39-E56 HydrophobicContact CG2-CB 4.41Å; I39-E56 HydrophobicContact CG2-CG 3.66Å; Q41-E56 HydrophobicContact CB-CG 4.32Å; Y43-E56 PolarHBondContact OH-OE1 3.14Å; Y43-E56 PolarHBondContact OH-OE2 3.02Å; T51-E56 HydrophobicContact CG2-CB 3.83Å; P52-E56 WeakPolarHBondContact CD-OE2 3.31Å; P52-E56 WeakPolarHBondContact CG-OE2 3.19Å; T53-E56 PolarHBondContact N-OE2 2.63Å; T53-E56 PolarHBondContact O-N 2.59Å; T53-E56 VanDerWaalsContact O-N 3.09Å; T53-E56 PolarHBondContact OG1-OE2 3.21Å; M54-E56 VanDerWaalsContact C-N 3.29Å; M54-E56 PolarHBondContact O-N 3.2Å; E56-A59 PolarHBondContact O-N 3.03Å; E56-L60 VanDerWaalsContact O-CG 3.32Å; E56-L60 WeakPolarHBondContact O-CG 3.47Å; E56-L60 PolarHBondContact O-N 3.4Å
57V98.8Very high98.1Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-60.4-48.7173.9178.40000111T51 T53 M54 A59 L60 A61 I68 I90 Y94T51-V57 HydrophobicContact CG2-CG2 3.78Å; T53-V57 PolarHBondContact O-N 2.95Å; M54-V57 HydrophobicContact CE-CB 4.39Å; M54-V57 HydrophobicContact CE-CG1 4.3Å; M54-V57 PolarHBondContact O-N 2.78Å; M54-V57 HydrophobicContact SD-CB 4.23Å; M54-V57 HydrophobicContact SD-CG1 4.41Å; M54-V57 HydrophobicContact SD-CG2 4.31Å; V57-A59 VanDerWaalsContact C-N 3.32Å; V57-A59 PolarHBondContact O-N 2.84Å; V57-L60 PolarHBondContact O-N 2.95Å; V57-L60 VanDerWaalsContact O-N 3.11Å; V57-A61 WeakPolarHBondContact O-CB 3.27Å; V57-A61 PolarHBondContact O-N 3.12Å; V57-I68 HydrophobicContact CG1-CD1 4.1Å; V57-I90 HydrophobicContact CB-CG1 4.49Å; V57-I90 HydrophobicContact CG1-CD1 4.27Å; V57-I90 HydrophobicContact CG1-CG1 3.96Å; V57-I90 HydrophobicContact CG1-CG2 3.93Å; V57-I90 HydrophobicContact CG2-CD1 3.66Å; V57-I90 HydrophobicContact CG2-CG1 3.99Å; V57-Y94 HydrophobicContact CG1-CD2 4.23Å; V57-Y94 HydrophobicContact CG1-CE2 4.16Å
58D98.7Very high98.3Very high40 Ų4033.8 Ų33.821%0.21417%0.169CC..Hα-helixtrans-58.8-46.4-178.7-71.4-10.1000110.8M54 L60 A61 E62 K93 Y94M54-D58 WeakPolarHBondContact CE-OD1 3.43Å; M54-D58 WeakPolarHBondContact O-CB 3.39Å; M54-D58 PolarHBondContact O-N 3.05Å; D58-L60 VanDerWaalsContact C-N 3.3Å; D58-L60 PolarHBondContact O-N 3.44Å; D58-A61 PolarHBondContact O-N 2.75Å; D58-E62 WeakPolarHBondContact O-CG 3.27Å; D58-E62 PolarHBondContact O-N 3.41Å; D58-E62 VanDerWaalsContact O-N 3.07Å; D58-K93 IonicContact OD1-NZ 2.7Å; D58-K93 PolarHBondContact OD1-NZ 2.92Å; D58-K93 IonicContact OD2-NZ 2.77Å; D58-K93 PolarHBondContact OD2-NZ 3.37Å; D58-Y94 WeakPolarHBondContact OD1-CE2 3.4Å; D58-Y94 PolarHBondContact OD1-OH 3.41Å
59A98.7Very high98.4Very high27 Ų2733.8 Ų33.822%0.22317%0.169CC..Hα-helixtrans-63.6-33.9177.200000112.9V21 I39 K55 E56 V57V21-A59 HydrophobicContact CG2-CB 4.04Å; I39-A59 HydrophobicContact CD1-CB 3.78Å; K55-A59 PolarHBondContact O-N 3.11Å; E56-A59 PolarHBondContact O-N 3.03Å; V57-A59 VanDerWaalsContact C-N 3.32Å; V57-A59 PolarHBondContact O-N 2.84Å
60L98.8Very high98.5Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-73.5-42.3174.4-74.1168.2000111.8I24 I39 T51 E56 V57 D58 E62 T63 V65 I68I24-L60 HydrophobicContact CD1-CD2 3.37Å; I39-L60 HydrophobicContact CD1-CD2 4.28Å; I39-L60 HydrophobicContact CD1-CG 3.92Å; I39-L60 HydrophobicContact CG1-CD1 4.16Å; I39-L60 HydrophobicContact CG1-CD2 3.87Å; I39-L60 HydrophobicContact CG1-CG 3.83Å; T51-L60 HydrophobicContact CG2-CD1 3.75Å; E56-L60 VanDerWaalsContact O-CG 3.32Å; E56-L60 WeakPolarHBondContact O-CG 3.47Å; E56-L60 PolarHBondContact O-N 3.4Å; V57-L60 PolarHBondContact O-N 2.95Å; V57-L60 VanDerWaalsContact O-N 3.11Å; D58-L60 VanDerWaalsContact C-N 3.3Å; D58-L60 PolarHBondContact O-N 3.44Å; L60-E62 PolarHBondContact O-N 3.05Å; L60-T63 WeakPolarHBondContact O-CB 3.19Å; L60-T63 PolarHBondContact O-N 2.72Å; L60-T63 PolarHBondContact O-OG1 3.02Å; L60-V65 HydrophobicContact CB-CG2 4.49Å; L60-I68 HydrophobicContact CB-CD1 3.74Å; L60-I68 HydrophobicContact CB-CG1 3.94Å; L60-I68 HydrophobicContact CD1-CG2 3.85Å
61A98.5Very high98.5Very high11 Ų1130.5 Ų30.59%0.09116%0.155CC..Hα-helixtrans-59.6-37.4177.600000111.6V57 D58 T63 N64 I68 Y94V57-A61 WeakPolarHBondContact O-CB 3.27Å; V57-A61 PolarHBondContact O-N 3.12Å; D58-A61 PolarHBondContact O-N 2.75Å; A61-T63 PolarHBondContact O-N 3.36Å; A61-N64 PolarHBondContact O-N 3.24Å; A61-I68 HydrophobicContact CB-CD1 4.23Å; A61-Y94 HydrophobicContact CB-CD1 3.98Å; A61-Y94 HydrophobicContact CB-CD2 4.41Å; A61-Y94 HydrophobicContact CB-CE1 3.59Å; A61-Y94 HydrophobicContact CB-CE2 4.06Å; A61-Y94 HydrophobicContact CB-CG 4.37Å
62E98.4Very high98.5Very high153 Ų15330.5 Ų30.572%0.71516%0.155SC*.THydrogen-bonded Turntrans-61.6-21.4174.1-74.3176.5-174.200114D58 L60 N64D58-E62 WeakPolarHBondContact O-CG 3.27Å; D58-E62 PolarHBondContact O-N 3.41Å; D58-E62 VanDerWaalsContact O-N 3.07Å; L60-E62 PolarHBondContact O-N 3.05Å; E62-N64 VanDerWaalsContact C-N 3.34Å
63T98.3Very high98.5Very high5 Ų530.5 Ų30.53%0.03116%0.155CC..THydrogen-bonded Turntrans-83.4-8.4175.866.60000113.9V21 I24 Q25 Q28 L60 A61 V65V21-T63 HydrophobicContact CB-CG2 4.25Å; V21-T63 HydrophobicContact CG1-CG2 3.81Å; V21-T63 HydrophobicContact CG2-CG2 4.12Å; I24-T63 HydrophobicContact CG2-CG2 4.18Å; Q25-T63 HydrophobicContact CG-CG2 4.4Å; Q28-T63 PolarHBondContact NE2-O 3.47Å; Q28-T63 PolarHBondContact OE1-O 3.41Å; L60-T63 WeakPolarHBondContact O-CB 3.19Å; L60-T63 PolarHBondContact O-N 2.72Å; L60-T63 PolarHBondContact O-OG1 3.02Å; A61-T63 PolarHBondContact O-N 3.36Å; T63-V65 VanDerWaalsContact C-N 3.25Å; T63-V65 PolarHBondContact O-N 2.89Å; T63-V65 WeakPolarHBondContact OG1-CG1 3.38Å
64N97.8Very high98.4Very high128 Ų12835.3 Ų35.368%0.68418%0.18SC*.THydrogen-bonded Turntrans56.234.6-174.7-51.6-71.2000113.8A61 E62A61-N64 PolarHBondContact O-N 3.24Å; E62-N64 VanDerWaalsContact C-N 3.34Å
65V98.5Very high98.2Very high4 Ų437.5 Ų37.52%0.02419%0.187CC..  trans-64.1143.8169.3-730000110.7I24 I35 L60 T63 V67 I68 Q97I24-V65 HydrophobicContact CD1-CG1 4.21Å; I24-V65 HydrophobicContact CG1-CG1 4.41Å; I24-V65 HydrophobicContact CG2-CG1 3.41Å; I24-V65 VanDerWaalsContact CG2-CG1 3.41Å; I35-V65 HydrophobicContact CB-CB 4.47Å; I35-V65 HydrophobicContact CB-CG1 3.96Å; I35-V65 HydrophobicContact CG2-CG1 3.73Å; L60-V65 HydrophobicContact CB-CG2 4.49Å; T63-V65 VanDerWaalsContact C-N 3.25Å; T63-V65 PolarHBondContact O-N 2.89Å; T63-V65 WeakPolarHBondContact OG1-CG1 3.38Å; V65-V67 VanDerWaalsContact C-N 3.31Å; V65-V67 PolarHBondContact O-N 3.41Å; V65-I68 HydrophobicContact CG2-CG1 3.9Å; V65-Q97 PolarHBondContact O-NE2 3.36Å
66E98.6Very high98Very high89 Ų8938.4 Ų38.442%0.41619%0.193SC..SBendtrans-66.6-35.3-177.6-69.673.1-166.400111.9P34 I35 Q97 L98P34-E66 WeakPolarHBondContact CA-OE2 3.21Å; P34-E66 HydrophobicContact CB-CB 4.17Å; P34-E66 HydrophobicContact CB-CG 3.9Å; I35-E66 PolarHBondContact N-OE2 2.9Å; I35-E66 PolarHBondContact O-N 2.95Å; E66-Q97 PolarHBondContact O-NE2 2.81Å; E66-L98 WeakPolarHBondContact O-CB 3.46Å
67V98.9Very high98Very high13 Ų1338.2 Ų38.28%0.07919%0.192CC..EExtended strand (participates in β ladder)trans-132132.8180-176.80000110.3I35 I36 G37 V65 L98 M100 F119I35-V67 PolarHBondContact O-N 2.95Å; I35-V67 VanDerWaalsContact O-N 3.17Å; I36-V67 CarbonylContact C-O 3.15Å; I36-V67 WeakPolarHBondContact CA-O 3.28Å; I36-V67 HydrophobicContact CB-CB 4.4Å; I36-V67 HydrophobicContact CG1-CB 3.92Å; I36-V67 HydrophobicContact CG1-CG1 4.25Å; I36-V67 HydrophobicContact CG1-CG2 4.34Å; I36-V67 HydrophobicContact CG2-CB 4.47Å; I36-V67 HydrophobicContact CG2-CG1 4.28Å; G37-V67 PolarHBondContact N-O 3.37Å; V65-V67 VanDerWaalsContact C-N 3.31Å; V65-V67 PolarHBondContact O-N 3.41Å; V67-L98 WeakPolarHBondContact CA-O 3.38Å; V67-L98 HydrophobicContact CG2-CB 4.06Å; V67-L98 HydrophobicContact CG2-CD1 4.34Å; V67-M100 HydrophobicContact CG1-CB 3.63Å; V67-F119 HydrophobicContact CG1-CD2 4.33Å; V67-F119 HydrophobicContact CG2-CD2 4.46Å; V67-F119 HydrophobicContact CG2-CE2 4.09Å
68I98.9Very high97.9Very high0 Ų040 Ų400%020%0.204CC..EExtended strand (participates in β ladder)trans-99.6119.1167.8-66.7-179.5000108.4T51 V57 L60 A61 V65 Q97 L98 L99 M100T51-I68 HydrophobicContact CG2-CG2 4.25Å; V57-I68 HydrophobicContact CG1-CD1 4.1Å; L60-I68 HydrophobicContact CB-CD1 3.74Å; L60-I68 HydrophobicContact CB-CG1 3.94Å; L60-I68 HydrophobicContact CD1-CG2 3.85Å; A61-I68 HydrophobicContact CB-CD1 4.23Å; V65-I68 HydrophobicContact CG2-CG1 3.9Å; I68-Q97 HydrophobicContact CB-CG 4.38Å; I68-Q97 HydrophobicContact CD1-CG 3.72Å; I68-Q97 HydrophobicContact CG1-CG 3.93Å; I68-L98 PolarHBondContact N-O 3.45Å; I68-L99 HydrophobicContact CB-CD2 4.1Å; I68-L99 WeakPolarHBondContact O-CA 3.38Å; I68-M100 PolarHBondContact O-N 3.28Å
69A98.9Very high97.7Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-95142.2171.200000111.3I36 G37 I38 T51 M100I36-A69 HydrophobicContact CG2-CB 3.58Å; G37-A69 PolarHBondContact O-N 2.9Å; I38-A69 HydrophobicContact CG2-CB 3.48Å; I38-A69 VanDerWaalsContact CG2-CB 3.48Å; T51-A69 VanDerWaalsContact CB-O 3.27Å; T51-A69 WeakPolarHBondContact CB-O 3.4Å; T51-A69 PolarHBondContact OG1-O 2.93Å; A69-M100 VanDerWaalsContact CA-O 3.25Å; A69-M100 WeakPolarHBondContact CA-O 3.41Å; A69-M100 HydrophobicContact CB-CB 4.01Å; A69-M100 HydrophobicContact CB-CG 4.25Å; A69-M100 HydrophobicContact CB-SD 4.34Å
70L98.7Very high97.5Very high1 Ų142.4 Ų42.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-144.2149.5179.667.7166000110.7T51 C72 L86 I90 M100 D102T51-L70 HydrophobicContact CG2-CB 4.21Å; L70-C72 PolarHBondContact O-N 2.96Å; L70-L86 HydrophobicContact CD1-CD2 3.76Å; L70-L86 HydrophobicContact CD1-CG 4.22Å; L70-I90 HydrophobicContact CD1-CD1 3.71Å; L70-M100 PolarHBondContact N-O 3.46Å; L70-M100 VanDerWaalsContact N-O 3.08Å; L70-D102 WeakPolarHBondContact O-CB 3.22Å; L70-D102 PolarHBondContact O-N 3.1Å
71D98.4Very high97.4Very high0 Ų044.7 Ų44.70%024%0.237CC..EExtended strand (participates in β ladder)trans-62.3117.2169.6-174.4-35.9000109V48 I50 T73 R75 R77 L124V48-D71 HydrophobicContact CG1-CB 3.7Å; I50-D71 HydrophobicContact CB-CB 4.09Å; I50-D71 WeakPolarHBondContact O-CB 2.89Å; I50-D71 PolarHBondContact O-N 3Å; D71-T73 VanDerWaalsContact OD1-CB 3.24Å; D71-T73 WeakPolarHBondContact OD1-CB 3.44Å; D71-T73 VanDerWaalsContact OD1-CG2 3.25Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.33Å; D71-T73 PolarHBondContact OD1-N 3.03Å; D71-T73 PolarHBondContact OD1-OG1 2.91Å; D71-R75 IonicContact OD1-NH2 2.98Å; D71-R75 IonicContact OD2-CZ 3.9Å; D71-R75 IonicContact OD2-NH2 2.76Å; D71-R75 PolarHBondContact OD2-NH2 3.44Å; D71-R77 PolarHBondContact O-NH1 3.11Å; D71-L124 HydrophobicContact CB-CD1 4.06Å; D71-L124 WeakPolarHBondContact OD2-CD1 3.34Å
72C98.3Very high97.3Very high0 Ų047.9 Ų47.90%026%0.255CS..  trans-113.626177.5-77.10000111.7L70 T83 A101 D102 I103 A112L70-C72 PolarHBondContact O-N 2.96Å; C72-T83 HydrophobicContact CB-CG2 3.68Å; C72-A101 HydrophobicContact CB-CB 3.58Å; C72-A101 WeakPolarHBondContact SG-CB 3.32Å; C72-D102 PolarHBondContact N-O 2.98Å; C72-I103 HydrophobicContact CB-CG2 3.86Å; C72-A112 HydrophobicContact CB-CB 4.01Å
73T97.4Very high97.3Very high0 Ų040.9 Ų40.90%022%0.223CC..  trans-63.8161.8170.462.10000111.1D71 R75 T83 E108 L124 T128D71-T73 VanDerWaalsContact OD1-CB 3.24Å; D71-T73 WeakPolarHBondContact OD1-CB 3.44Å; D71-T73 VanDerWaalsContact OD1-CG2 3.25Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.33Å; D71-T73 PolarHBondContact OD1-N 3.03Å; D71-T73 PolarHBondContact OD1-OG1 2.91Å; T73-R75 PolarHBondContact O-N 3.47Å; T73-R75 PolarHBondContact OG1-NE 3.21Å; T73-T83 PolarHBondContact O-OG1 3.38Å; T73-E108 WeakPolarHBondContact CA-OE1 3.4Å; T73-E108 WeakPolarHBondContact CB-OE1 3.4Å; T73-L124 HydrophobicContact CG2-CB 4.42Å; T73-L124 HydrophobicContact CG2-CD1 3.72Å; T73-T128 HydrophobicContact CG2-CG2 3.96Å
74L95.7Very high97.3Very high114 Ų11443.7 Ų43.760%0.59724%0.238SC*.SBendtrans-84.614.5175.3-63.6-178.5000113.1E108L74-E108 HydrophobicContact CB-CG 4.49Å; L74-E108 HydrophobicContact CD1-CG 4.45Å; L74-E108 HydrophobicContact CG-CG 3.84Å; L74-E108 PolarHBondContact N-OE1 2.83Å
75R95.2Very high97.3Very high62 Ų6242.4 Ų42.423%0.23423%0.227CC..SBendtrans-73.7155.6177.5-62.4-178.7-65159.73.3111D47 V48 D71 T73 R77D47-R75 PolarHBondContact O-NH1 2.95Å; D47-R75 VanDerWaalsContact O-NH1 3.11Å; D47-R75 PolarHBondContact O-NH2 3.14Å; V48-R75 HydrophobicContact CG2-CB 3.97Å; D71-R75 IonicContact OD1-NH2 2.98Å; D71-R75 IonicContact OD2-CZ 3.9Å; D71-R75 IonicContact OD2-NH2 2.76Å; D71-R75 PolarHBondContact OD2-NH2 3.44Å; T73-R75 PolarHBondContact O-N 3.47Å; T73-R75 PolarHBondContact OG1-NE 3.21Å; R75-R77 PolarHBondContact O-N 3.42Å
76E94.9Very high97.3Very high153 Ų15342.2 Ų42.272%0.71523%0.226SC*.PPolyproline II helixtrans-62.5127.6175.6-170.8172.8178.900110.6S46S46-E76 PolarHBondContact OG-O 2.84Å
77R96.8Very high97.3Very high3 Ų338 Ų381%0.01121%0.206CC..PPolyproline II helixtrans-87.3155178.4-57.7-169.97882.6-2.9110.3T51 P52 D71 R75 D79 G80 Q81T51-R77 PolarHBondContact O-NH2 3.29Å; P52-R77 VanDerWaalsContact C-NH2 3.25Å; P52-R77 VanDerWaalsContact O-CZ 3.26Å; P52-R77 PolarHBondContact O-NE 2.98Å; P52-R77 PolarHBondContact O-NH2 2.92Å; D71-R77 PolarHBondContact O-NH1 3.11Å; R75-R77 PolarHBondContact O-N 3.42Å; R77-D79 WeakPolarHBondContact CB-OD1 3.42Å; R77-D79 PolarHBondContact O-N 3.3Å; R77-D79 VanDerWaalsContact O-N 3.13Å; R77-G80 PolarHBondContact O-N 2.76Å; R77-Q81 WeakPolarHBondContact CB-O 3.35Å; R77-Q81 WeakPolarHBondContact CD-O 3.46Å; R77-Q81 WeakPolarHBondContact CG-O 3.09Å
78P96.8Very high97.3Very high37 Ų3743.5 Ų43.524%0.2423%0.229CC..THydrogen-bonded Turntrans-67.3-18-174.926-32.8000114.8Y43 S46 P52 T53Y43-P78 VanDerWaalsContact CB-CB 3.46Å; Y43-P78 HydrophobicContact CD1-CB 3.7Å; Y43-P78 HydrophobicContact CD1-CG 4.07Å; Y43-P78 HydrophobicContact CD2-CB 4.15Å; Y43-P78 HydrophobicContact CD2-CG 3.81Å; Y43-P78 HydrophobicContact CE1-CB 4.49Å; Y43-P78 HydrophobicContact CE2-CG 4.32Å; Y43-P78 HydrophobicContact CG-CB 3.5Å; Y43-P78 VanDerWaalsContact CG-CB 3.5Å; Y43-P78 HydrophobicContact CG-CG 3.69Å; S46-P78 WeakPolarHBondContact OG-CD 3.49Å; P52-P78 HydrophobicContact CB-CG 3.86Å; T53-P78 HydrophobicContact CG2-CG 3.73Å
79D95.1Very high97.3Very high63 Ų6347.1 Ų47.134%0.33725%0.246SC..THydrogen-bonded Turntrans-99.35.5176.861.12.1000113.3T53 R77 Q81T53-D79 HydrophobicContact CG2-CB 4.29Å; R77-D79 WeakPolarHBondContact CB-OD1 3.42Å; R77-D79 PolarHBondContact O-N 3.3Å; R77-D79 VanDerWaalsContact O-N 3.13Å; D79-Q81 PolarHBondContact O-N 2.97Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.41Å; D79-Q81 PolarHBondContact OD1-N 3.31Å; D79-Q81 VanDerWaalsContact OD1-N 3.14Å; D79-Q81 PolarHBondContact OD2-NE2 3.13Å
80G95.6Very high97.2Very high55 Ų5547.1 Ų47.157%0.56725%0.247SC*.SBendtrans71.92.9-178.900000114.7R77R77-G80 PolarHBondContact O-N 2.76Å
81Q96.4Very high97.2Very high48 Ų4849.5 Ų49.522%0.22426%0.257CS..  trans-74.7148.9176.5-62.5-165.984.200111R77 D79 Q85R77-Q81 WeakPolarHBondContact CB-O 3.35Å; R77-Q81 WeakPolarHBondContact CD-O 3.46Å; R77-Q81 WeakPolarHBondContact CG-O 3.09Å; D79-Q81 PolarHBondContact O-N 2.97Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.41Å; D79-Q81 PolarHBondContact OD1-N 3.31Å; D79-Q81 VanDerWaalsContact OD1-N 3.14Å; D79-Q81 PolarHBondContact OD2-NE2 3.13Å; Q81-Q85 HydrophobicContact CB-CB 4.31Å
82T96.9Very high97.2Very high78 Ų7856 Ų5648%0.47929%0.287SS..  trans-77.2157.4164.770.30000110.4N84 Q85 L86T82-N84 PolarHBondContact O-N 3.03Å; T82-Q85 WeakPolarHBondContact O-CB 3.49Å; T82-Q85 PolarHBondContact O-N 3.35Å; T82-Q85 VanDerWaalsContact O-N 3.11Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.34Å; T82-Q85 PolarHBondContact OG1-N 3.45Å; T82-L86 PolarHBondContact O-N 3.25Å
83T97.2Very high97.2Very high6 Ų661.1 Ų61.14%0.03731%0.309CS..Hα-helixtrans-51.7-40.3172.5-66.10000111.9C72 T73 L86 I87C72-T83 HydrophobicContact CB-CG2 3.68Å; T73-T83 PolarHBondContact O-OG1 3.38Å; T83-L86 PolarHBondContact O-N 2.69Å; T83-I87 HydrophobicContact CG2-CD1 3.66Å; T83-I87 HydrophobicContact CG2-CG1 4.41Å; T83-I87 VanDerWaalsContact O-CG1 3.27Å; T83-I87 WeakPolarHBondContact O-CG1 3.3Å; T83-I87 PolarHBondContact O-N 2.88Å
84N98.3Very high97.3Very high64 Ų6463.8 Ų63.834%0.34232%0.32SS..Hα-helixtrans-71.9-34.7-178.9-62.14000112.4T82 K88 N111 A115T82-N84 PolarHBondContact O-N 3.03Å; N84-K88 VanDerWaalsContact O-CB 3.27Å; N84-K88 WeakPolarHBondContact O-CB 3.28Å; N84-K88 PolarHBondContact O-N 2.71Å; N84-N111 PolarHBondContact ND2-OD1 3.29Å; N84-N111 PolarHBondContact OD1-ND2 3.46Å; N84-N111 PolarHBondContact OD1-OD1 2.86Å; N84-A115 HydrophobicContact CB-CB 4.39Å
85Q98.2Very high97.4Very high100 Ų10062.5 Ų62.547%0.46732%0.318SS..Hα-helixtrans-63.8-46173.2-76.5170.2-28.700110.9Q81 T82 K88 Q89Q81-Q85 HydrophobicContact CB-CB 4.31Å; T82-Q85 WeakPolarHBondContact O-CB 3.49Å; T82-Q85 PolarHBondContact O-N 3.35Å; T82-Q85 VanDerWaalsContact O-N 3.11Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.34Å; T82-Q85 PolarHBondContact OG1-N 3.45Å; Q85-K88 PolarHBondContact O-N 3.04Å; Q85-Q89 WeakPolarHBondContact O-CB 3.4Å; Q85-Q89 PolarHBondContact O-N 2.79Å
86L98.3Very high97.5Very high0 Ų067 Ų670%035%0.347CS..Hα-helixtrans-63.5-50177.7-179.962.2000111.4M54 L70 T82 T83 K88 Q89 I90M54-L86 HydrophobicContact CG-CD1 3.72Å; M54-L86 HydrophobicContact SD-CD1 3.67Å; L70-L86 HydrophobicContact CD1-CD2 3.76Å; L70-L86 HydrophobicContact CD1-CG 4.22Å; T82-L86 PolarHBondContact O-N 3.25Å; T83-L86 PolarHBondContact O-N 2.69Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.14Å; L86-Q89 WeakPolarHBondContact O-CB 3.4Å; L86-Q89 PolarHBondContact O-N 2.84Å; L86-Q89 VanDerWaalsContact O-N 3.1Å; L86-I90 HydrophobicContact CD1-CD1 4.08Å; L86-I90 HydrophobicContact CD1-CG1 4.1Å; L86-I90 HydrophobicContact CD2-CD1 4.49Å; L86-I90 HydrophobicContact CG-CD1 3.84Å; L86-I90 HydrophobicContact CG-CG1 4.3Å; L86-I90 VanDerWaalsContact O-CG1 3.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.48Å; L86-I90 PolarHBondContact O-N 3.21Å
87I98.7Very high97.7Very high0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-55.2-46.4178.5-69162.9000110.9T83 Q89 I90 K91 L99 A112 A115 V117T83-I87 HydrophobicContact CG2-CD1 3.66Å; T83-I87 HydrophobicContact CG2-CG1 4.41Å; T83-I87 VanDerWaalsContact O-CG1 3.27Å; T83-I87 WeakPolarHBondContact O-CG1 3.3Å; T83-I87 PolarHBondContact O-N 2.88Å; I87-Q89 PolarHBondContact O-N 2.91Å; I87-I90 PolarHBondContact O-N 2.83Å; I87-K91 PolarHBondContact O-N 2.77Å; I87-L99 HydrophobicContact CG2-CD1 4.45Å; I87-A112 HydrophobicContact CD1-CB 4.32Å; I87-A115 HydrophobicContact CB-CB 4.28Å; I87-A115 HydrophobicContact CD1-CB 3.68Å; I87-A115 HydrophobicContact CG2-CB 4.05Å; I87-A115 VanDerWaalsContact CG2-O 3.28Å; I87-A115 WeakPolarHBondContact CG2-O 3.27Å; I87-V117 HydrophobicContact CD1-CG1 3.71Å; I87-V117 HydrophobicContact CG1-CG1 3.98Å; I87-V117 HydrophobicContact CG2-CG1 4.1Å
88K98.5Very high97.8Very high129 Ų12964.1 Ų64.156%0.56134%0.335SS*.Hα-helixtrans-58.8-48.2176.9179.7178.5173.5-179.60111.5N84 Q85 L86 I90 K91 E92N84-K88 VanDerWaalsContact O-CB 3.27Å; N84-K88 WeakPolarHBondContact O-CB 3.28Å; N84-K88 PolarHBondContact O-N 2.71Å; Q85-K88 PolarHBondContact O-N 3.04Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.14Å; K88-I90 VanDerWaalsContact C-N 3.31Å; K88-I90 PolarHBondContact O-N 3.25Å; K88-K91 PolarHBondContact O-N 3.19Å; K88-E92 WeakPolarHBondContact CE-OE1 3.48Å; K88-E92 IonicContact NZ-OE1 2.69Å; K88-E92 WeakPolarHBondContact O-CG 3.34Å; K88-E92 PolarHBondContact O-N 3.07Å
89Q98.4Very high97.9Very high76 Ų7662.3 Ų62.336%0.35532%0.324SS..Hα-helixtrans-60.2-40.5179-172178.920.500112.1M54 Q85 L86 I87 K93M54-Q89 HydrophobicContact CE-CG 4.47Å; M54-Q89 HydrophobicContact CG-CG 4.07Å; M54-Q89 HydrophobicContact SD-CB 4.39Å; M54-Q89 HydrophobicContact SD-CG 4Å; Q85-Q89 WeakPolarHBondContact O-CB 3.4Å; Q85-Q89 PolarHBondContact O-N 2.79Å; L86-Q89 WeakPolarHBondContact O-CB 3.4Å; L86-Q89 PolarHBondContact O-N 2.84Å; L86-Q89 VanDerWaalsContact O-N 3.1Å; I87-Q89 PolarHBondContact O-N 2.91Å; Q89-K93 WeakPolarHBondContact O-CB 3.42Å; Q89-K93 PolarHBondContact O-N 3.41Å; Q89-K93 VanDerWaalsContact O-N 3.11Å
90I98.6Very high98.1Very high1 Ų159.3 Ų59.31%0.00531%0.308CS..Hα-helixtrans-64.8-49.6177.3-60.4167.7000110.4M54 V57 L70 L86 I87 K88 E92 K93 Y94 L99M54-I90 HydrophobicContact SD-CG1 3.53Å; M54-I90 VanDerWaalsContact SD-CG1 3.53Å; V57-I90 HydrophobicContact CB-CG1 4.49Å; V57-I90 HydrophobicContact CG1-CD1 4.27Å; V57-I90 HydrophobicContact CG1-CG1 3.96Å; V57-I90 HydrophobicContact CG1-CG2 3.93Å; V57-I90 HydrophobicContact CG2-CD1 3.66Å; V57-I90 HydrophobicContact CG2-CG1 3.99Å; L70-I90 HydrophobicContact CD1-CD1 3.71Å; L86-I90 HydrophobicContact CD1-CD1 4.08Å; L86-I90 HydrophobicContact CD1-CG1 4.1Å; L86-I90 HydrophobicContact CD2-CD1 4.49Å; L86-I90 HydrophobicContact CG-CD1 3.84Å; L86-I90 HydrophobicContact CG-CG1 4.3Å; L86-I90 VanDerWaalsContact O-CG1 3.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.48Å; L86-I90 PolarHBondContact O-N 3.21Å; I87-I90 PolarHBondContact O-N 2.83Å; K88-I90 VanDerWaalsContact C-N 3.31Å; K88-I90 PolarHBondContact O-N 3.25Å; I90-E92 VanDerWaalsContact C-N 3.29Å; I90-E92 PolarHBondContact O-N 2.9Å; I90-K93 PolarHBondContact O-N 3.1Å; I90-Y94 HydrophobicContact CG2-CD2 4.41Å; I90-Y94 WeakPolarHBondContact O-CA 3.26Å; I90-Y94 PolarHBondContact O-N 3.3Å; I90-L99 HydrophobicContact CB-CD1 4.11Å; I90-L99 HydrophobicContact CD1-CD1 4.47Å; I90-L99 HydrophobicContact CG2-CD1 3.8Å; I90-L99 HydrophobicContact CG2-CD2 3.64Å; I90-L99 HydrophobicContact CG2-CG 4.32Å
91K98.4Very high98.3Very high51 Ų5156.7 Ų56.722%0.22228%0.281CS..Hα-helixtrans-64.3-32.9-179.4-74.1-74-176.7179.40112.5I87 K88 P95 Q97 L99 G116 D118I87-K91 PolarHBondContact O-N 2.77Å; K88-K91 PolarHBondContact O-N 3.19Å; K91-P95 VanDerWaalsContact O-CA 3.26Å; K91-P95 WeakPolarHBondContact O-CA 3.47Å; K91-Q97 PolarHBondContact NZ-O 2.61Å; K91-L99 HydrophobicContact CD-CD1 4.24Å; K91-L99 HydrophobicContact CG-CD1 4.08Å; K91-G116 WeakPolarHBondContact CE-O 3.47Å; K91-D118 IonicContact NZ-OD1 3.87Å; K91-D118 PolarHBondContact NZ-OD1 3.41Å; K91-D118 IonicContact NZ-OD2 3.29Å; K91-D118 PolarHBondContact NZ-OD2 3.22Å
92E98.5Very high98.4Very high135 Ų13554.4 Ų54.463%0.63127%0.27SS*.Hα-helixtrans-68.1-40.9173.8-75.3175175.600112.2K88 I90K88-E92 WeakPolarHBondContact CE-OE1 3.48Å; K88-E92 IonicContact NZ-OE1 2.69Å; K88-E92 WeakPolarHBondContact O-CG 3.34Å; K88-E92 PolarHBondContact O-N 3.07Å; I90-E92 VanDerWaalsContact C-N 3.29Å; I90-E92 PolarHBondContact O-N 2.9Å
93K98.6Very high98.4Very high108 Ų10850.7 Ų50.747%0.4725%0.248SC..Hα-helixtrans-80.8-35.7-178.6-169.2175.2177.9-171.90113.2M54 D58 Q89 I90M54-K93 HydrophobicContact CE-CD 3.75Å; D58-K93 IonicContact OD1-NZ 2.7Å; D58-K93 PolarHBondContact OD1-NZ 2.92Å; D58-K93 IonicContact OD2-NZ 2.77Å; D58-K93 PolarHBondContact OD2-NZ 3.37Å; Q89-K93 WeakPolarHBondContact O-CB 3.42Å; Q89-K93 PolarHBondContact O-N 3.41Å; Q89-K93 VanDerWaalsContact O-N 3.11Å; I90-K93 PolarHBondContact O-N 3.1Å
94Y98.6Very high98.4Very high56 Ų5650.6 Ų50.622%0.2225%0.247CC..  trans-131.168.3-173.8-57.4-71.3000111M54 V57 D58 A61 I90 N96 Q97M54-Y94 HydrophobicContact CE-CE2 4.15Å; V57-Y94 HydrophobicContact CG1-CD2 4.23Å; V57-Y94 HydrophobicContact CG1-CE2 4.16Å; D58-Y94 WeakPolarHBondContact OD1-CE2 3.4Å; D58-Y94 PolarHBondContact OD1-OH 3.41Å; A61-Y94 HydrophobicContact CB-CD1 3.98Å; A61-Y94 HydrophobicContact CB-CD2 4.41Å; A61-Y94 HydrophobicContact CB-CE1 3.59Å; A61-Y94 HydrophobicContact CB-CE2 4.06Å; A61-Y94 HydrophobicContact CB-CG 4.37Å; I90-Y94 HydrophobicContact CG2-CD2 4.41Å; I90-Y94 WeakPolarHBondContact O-CA 3.26Å; I90-Y94 PolarHBondContact O-N 3.3Å; Y94-N96 PolarHBondContact O-N 3.31Å; Y94-N96 VanDerWaalsContact O-N 3.08Å; Y94-Q97 WeakPolarHBondContact O-CB 3.23Å; Y94-Q97 PolarHBondContact O-N 3.42Å
95P97.9Very high98.3Very high88 Ų8848.6 Ų48.657%0.57124%0.237SC*.THydrogen-bonded Turntrans-62.5-22.2-170.923.8-35.3000114.9K91K91-P95 VanDerWaalsContact O-CA 3.26Å; K91-P95 WeakPolarHBondContact O-CA 3.47Å
96N98Very high98.2Very high157 Ų15746.7 Ų46.784%0.8423%0.228SC*.THydrogen-bonded Turntrans-97.9-2.3180-59.6-36.1000113.4Y94Y94-N96 PolarHBondContact O-N 3.31Å; Y94-N96 VanDerWaalsContact O-N 3.08Å
97Q98.7Very high98.2Very high25 Ų2552.4 Ų52.412%0.11725%0.254CS..  trans-80.1126.3179.7-176.267.167.200109.9V65 E66 I68 K91 Y94 L99V65-Q97 PolarHBondContact O-NE2 3.36Å; E66-Q97 PolarHBondContact O-NE2 2.81Å; I68-Q97 HydrophobicContact CB-CG 4.38Å; I68-Q97 HydrophobicContact CD1-CG 3.72Å; I68-Q97 HydrophobicContact CG1-CG 3.93Å; K91-Q97 PolarHBondContact NZ-O 2.61Å; Y94-Q97 WeakPolarHBondContact O-CB 3.23Å; Y94-Q97 PolarHBondContact O-N 3.42Å; Q97-L99 HydrophobicContact CG-CD2 4.05Å
98L98.8Very high98.1Very high69 Ų6953 Ų5336%0.36126%0.257SS..EExtended strand (participates in β ladder)trans-76.4138171.9-57.1174.5000110E66 V67 I68 D118 F119E66-L98 WeakPolarHBondContact O-CB 3.46Å; V67-L98 WeakPolarHBondContact CA-O 3.38Å; V67-L98 HydrophobicContact CG2-CB 4.06Å; V67-L98 HydrophobicContact CG2-CD1 4.34Å; I68-L98 PolarHBondContact N-O 3.45Å; L98-D118 WeakPolarHBondContact CA-OD2 3.33Å; L98-D118 HydrophobicContact CB-CB 4.39Å; L98-D118 HydrophobicContact CD2-CB 4.08Å; L98-F119 HydrophobicContact CB-CE2 4.46Å; L98-F119 HydrophobicContact CD1-CE2 4.34Å
99L98.9Very high98.1Very high0 Ų046.9 Ų46.90%023%0.23CC..EExtended strand (participates in β ladder)trans-117.8139-178.2-54.5-177000111.2I68 I87 I90 K91 Q97 V117 D118 F119I68-L99 HydrophobicContact CB-CD2 4.1Å; I68-L99 WeakPolarHBondContact O-CA 3.38Å; I87-L99 HydrophobicContact CG2-CD1 4.45Å; I90-L99 HydrophobicContact CB-CD1 4.11Å; I90-L99 HydrophobicContact CD1-CD1 4.47Å; I90-L99 HydrophobicContact CG2-CD1 3.8Å; I90-L99 HydrophobicContact CG2-CD2 3.64Å; I90-L99 HydrophobicContact CG2-CG 4.32Å; K91-L99 HydrophobicContact CD-CD1 4.24Å; K91-L99 HydrophobicContact CG-CD1 4.08Å; Q97-L99 HydrophobicContact CG-CD2 4.05Å; L99-V117 HydrophobicContact CB-CB 4.24Å; L99-V117 HydrophobicContact CB-CG1 4.22Å; L99-D118 PolarHBondContact N-OD2 3.04Å; L99-D118 PolarHBondContact O-N 2.66Å; L99-F119 PolarHBondContact O-N 3.4Å
100M98.9Very high98.1Very high0 Ų044.4 Ų44.40%022%0.22CC..EExtended strand (participates in β ladder)trans-119118.7172.6174179.8172.700110.4I36 V67 I68 A69 L70 D102 F119 I150I36-M100 HydrophobicContact CD1-SD 3.96Å; I36-M100 HydrophobicContact CG2-SD 4.03Å; V67-M100 HydrophobicContact CG1-CB 3.63Å; I68-M100 PolarHBondContact O-N 3.28Å; A69-M100 VanDerWaalsContact CA-O 3.25Å; A69-M100 WeakPolarHBondContact CA-O 3.41Å; A69-M100 HydrophobicContact CB-CB 4.01Å; A69-M100 HydrophobicContact CB-CG 4.25Å; A69-M100 HydrophobicContact CB-SD 4.34Å; L70-M100 PolarHBondContact N-O 3.46Å; L70-M100 VanDerWaalsContact N-O 3.08Å; M100-D102 PolarHBondContact O-N 3.08Å; M100-F119 CarbonylContact C-O 3.55Å; M100-F119 WeakPolarHBondContact CA-O 3.47Å; M100-F119 HydrophobicContact CB-CB 4.09Å; M100-F119 HydrophobicContact CG-CB 4.11Å; M100-I150 HydrophobicContact CE-CB 3.85Å; M100-I150 HydrophobicContact CE-CG2 3.79Å; M100-I150 HydrophobicContact SD-CB 4.31Å; M100-I150 HydrophobicContact SD-CD1 3.94Å; M100-I150 HydrophobicContact SD-CG2 4.33Å
101A98.8Very high98.1Very high0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-83.3109.5177.500000111.5C72 I103 A112 V117 F119 V120 G121C72-A101 HydrophobicContact CB-CB 3.58Å; C72-A101 WeakPolarHBondContact SG-CB 3.32Å; A101-I103 HydrophobicContact CB-CG2 4.18Å; A101-I103 PolarHBondContact O-N 3.38Å; A101-A112 HydrophobicContact CB-CB 3.46Å; A101-A112 VanDerWaalsContact CB-CB 3.46Å; A101-V117 HydrophobicContact CB-CB 4.37Å; A101-V117 HydrophobicContact CB-CG1 4.15Å; A101-V117 HydrophobicContact CB-CG2 3.87Å; A101-F119 PolarHBondContact N-O 2.87Å; A101-V120 HydrophobicContact CB-CG2 4.46Å; A101-G121 PolarHBondContact O-N 2.75Å
102D98.5Very high98.1Very high0 Ų043.6 Ų43.60%022%0.219CC..EExtended strand (participates in β ladder)trans-77.4114.7168.2-71.3-33.8000109.8R17 L70 C72 M100 T123 L124R17-D102 IonicContact CZ-OD1 3.36Å; R17-D102 IonicContact CZ-OD2 3.52Å; R17-D102 IonicContact NH1-OD1 2.72Å; R17-D102 PolarHBondContact NH1-OD1 3.31Å; R17-D102 IonicContact NH1-OD2 3.56Å; R17-D102 IonicContact NH2-OD1 2.81Å; R17-D102 PolarHBondContact NH2-OD1 2.77Å; R17-D102 IonicContact NH2-OD2 2.63Å; R17-D102 PolarHBondContact NH2-OD2 3.2Å; L70-D102 WeakPolarHBondContact O-CB 3.22Å; L70-D102 PolarHBondContact O-N 3.1Å; C72-D102 PolarHBondContact N-O 2.98Å; M100-D102 PolarHBondContact O-N 3.08Å; D102-T123 WeakPolarHBondContact OD1-CB 3.37Å; D102-T123 PolarHBondContact OD1-OG1 3.26Å; D102-L124 HydrophobicContact CB-CD1 4.1Å; D102-L124 HydrophobicContact CB-CG 4.24Å
103I97.9Very high98.1Very high0 Ų040.8 Ų40.80%020%0.202CC..  trans-121.9167.6-175.861.764.5000111.7C72 A101 T105 E108 V120 G121 T122 L124 R125 L138 L142C72-I103 HydrophobicContact CB-CG2 3.86Å; A101-I103 HydrophobicContact CB-CG2 4.18Å; A101-I103 PolarHBondContact O-N 3.38Å; I103-T105 WeakPolarHBondContact CD1-O 3.47Å; I103-E108 HydrophobicContact CB-CB 3.72Å; I103-E108 HydrophobicContact CG2-CB 3.77Å; I103-V120 HydrophobicContact CD1-CG1 4.33Å; I103-V120 HydrophobicContact CG1-CG1 3.48Å; I103-V120 VanDerWaalsContact CG1-CG1 3.48Å; I103-V120 HydrophobicContact CG2-CG1 4.44Å; I103-G121 WeakPolarHBondContact CG1-O 3.37Å; I103-G121 PolarHBondContact N-O 3.29Å; I103-T122 HydrophobicContact CD1-CG2 4.49Å; I103-T122 CarbonylContact O-C 3.55Å; I103-L124 CarbonylContact O-C 3.54Å; I103-L124 WeakPolarHBondContact O-CA 3.28Å; I103-L124 WeakPolarHBondContact O-CB 3.25Å; I103-L124 PolarHBondContact O-N 3.4Å; I103-R125 PolarHBondContact O-N 2.66Å; I103-L138 HydrophobicContact CD1-CD2 3.92Å; I103-L142 HydrophobicContact CD1-CD1 4.28Å
104S96.7Very high98.1Very high4 Ų442.8 Ų42.83%0.02821%0.213CC..SBendtrans-116.8-21.9175.472.10000114E108 L124 T128S104-E108 VanDerWaalsContact CA-OE2 3.31Å; S104-E108 WeakPolarHBondContact CA-OE2 3.48Å; S104-E108 WeakPolarHBondContact CB-OE2 3.37Å; S104-E108 PolarHBondContact N-OE2 2.88Å; S104-E108 PolarHBondContact OG-OE2 3.48Å; S104-L124 VanDerWaalsContact CB-O 3.28Å; S104-L124 WeakPolarHBondContact CB-O 3.38Å; S104-T128 WeakPolarHBondContact CB-OG1 3.46Å; S104-T128 PolarHBondContact OG-OG1 2.95Å
105T96.6Very high98.1Very high22 Ų2241.6 Ų41.614%0.13522%0.215CC..SBendtrans-131.8165.7-175.859.80000112.4I103 E107 E108 G109 A130I103-T105 WeakPolarHBondContact CD1-O 3.47Å; T105-E107 WeakPolarHBondContact CB-OE2 3.37Å; T105-E108 PolarHBondContact N-OE2 3.11Å; T105-E108 WeakPolarHBondContact OG1-CB 3.45Å; T105-E108 WeakPolarHBondContact OG1-CG 3.26Å; T105-E108 PolarHBondContact OG1-N 3.35Å; T105-E108 PolarHBondContact OG1-OE2 3.24Å; T105-G109 PolarHBondContact O-N 2.96Å; T105-A130 HydrophobicContact CG2-CB 3.58Å
106F96.8Very high98.1Very high60 Ų6039.1 Ų39.126%0.26321%0.205SC..Hα-helixtrans-64.2-42.8176.8174.7-102.2000111.3E108 G109 V110 L138 A141 L142 E145F106-E108 VanDerWaalsContact C-N 3.34Å; F106-E108 PolarHBondContact O-N 3.35Å; F106-G109 WeakPolarHBondContact O-CA 3.35Å; F106-G109 PolarHBondContact O-N 2.78Å; F106-G109 VanDerWaalsContact O-N 3.07Å; F106-V110 HydrophobicContact CD1-CG2 4.14Å; F106-V110 HydrophobicContact CD2-CG2 4.35Å; F106-V110 HydrophobicContact CE1-CG2 3.65Å; F106-V110 HydrophobicContact CE2-CG2 3.88Å; F106-V110 HydrophobicContact CG-CG2 4.46Å; F106-V110 HydrophobicContact CZ-CG2 3.51Å; F106-V110 WeakPolarHBondContact O-CG2 3.4Å; F106-V110 PolarHBondContact O-N 3.31Å; F106-L138 HydrophobicContact CB-CD1 4.04Å; F106-A141 HydrophobicContact CD2-CB 3.78Å; F106-A141 HydrophobicContact CE2-CB 4.05Å; F106-A141 WeakPolarHBondContact CE2-O 3.19Å; F106-L142 HydrophobicContact CD2-CD2 3.76Å; F106-L142 HydrophobicContact CD2-CG 4.12Å; F106-L142 HydrophobicContact CE2-CD2 4.16Å; F106-E145 HydrophobicContact CE2-CB 4.12Å; F106-E145 HydrophobicContact CE2-CG 4.43Å; F106-E145 HydrophobicContact CZ-CB 4.23Å; F106-E145 HydrophobicContact CZ-CG 4.14Å
107E97Very high98.2Very high120 Ų12032 Ų3256%0.56117%0.167SC*.Hα-helixtrans-61.6-41.3-178.9-63.874.6-166.400111.8T105 G109 N111T105-E107 WeakPolarHBondContact CB-OE2 3.37Å; E107-G109 VanDerWaalsContact C-N 3.35Å; E107-N111 VanDerWaalsContact O-CB 3.23Å; E107-N111 WeakPolarHBondContact O-CB 3.39Å; E107-N111 PolarHBondContact O-N 2.81Å
108E97.9Very high98.2Very high13 Ų1332.9 Ų32.96%0.06117%0.173CC..Hα-helixtrans-62.1-42.6173.3-77165.9159.700111.7T73 L74 I103 S104 T105 F106 N111 A112T73-E108 WeakPolarHBondContact CA-OE1 3.4Å; T73-E108 WeakPolarHBondContact CB-OE1 3.4Å; L74-E108 HydrophobicContact CB-CG 4.49Å; L74-E108 HydrophobicContact CD1-CG 4.45Å; L74-E108 HydrophobicContact CG-CG 3.84Å; L74-E108 PolarHBondContact N-OE1 2.83Å; I103-E108 HydrophobicContact CB-CB 3.72Å; I103-E108 HydrophobicContact CG2-CB 3.77Å; S104-E108 VanDerWaalsContact CA-OE2 3.31Å; S104-E108 WeakPolarHBondContact CA-OE2 3.48Å; S104-E108 WeakPolarHBondContact CB-OE2 3.37Å; S104-E108 PolarHBondContact N-OE2 2.88Å; S104-E108 PolarHBondContact OG-OE2 3.48Å; T105-E108 PolarHBondContact N-OE2 3.11Å; T105-E108 WeakPolarHBondContact OG1-CB 3.45Å; T105-E108 WeakPolarHBondContact OG1-CG 3.26Å; T105-E108 PolarHBondContact OG1-N 3.35Å; T105-E108 PolarHBondContact OG1-OE2 3.24Å; F106-E108 VanDerWaalsContact C-N 3.34Å; F106-E108 PolarHBondContact O-N 3.35Å; E108-N111 PolarHBondContact O-N 3.12Å; E108-A112 WeakPolarHBondContact O-CB 3.32Å; E108-A112 PolarHBondContact O-N 3.37Å
109G98.1Very high98.2Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-62.2-48.4177.400000112.5T105 F106 E107 A112 W113T105-G109 PolarHBondContact O-N 2.96Å; F106-G109 WeakPolarHBondContact O-CA 3.35Å; F106-G109 PolarHBondContact O-N 2.78Å; F106-G109 VanDerWaalsContact O-N 3.07Å; E107-G109 VanDerWaalsContact C-N 3.35Å; G109-A112 PolarHBondContact O-N 3.37Å; G109-W113 WeakPolarHBondContact O-CB 3.42Å; G109-W113 PolarHBondContact O-N 3.23Å
110V98.4Very high98.2Very high23 Ų2331.7 Ų31.714%0.13917%0.165CC..Hα-helixtrans-62-45.2176.1175.30000111.1F106 A112 W113 Q114 E145 I147F106-V110 HydrophobicContact CD1-CG2 4.14Å; F106-V110 HydrophobicContact CD2-CG2 4.35Å; F106-V110 HydrophobicContact CE1-CG2 3.65Å; F106-V110 HydrophobicContact CE2-CG2 3.88Å; F106-V110 HydrophobicContact CG-CG2 4.46Å; F106-V110 HydrophobicContact CZ-CG2 3.51Å; F106-V110 WeakPolarHBondContact O-CG2 3.4Å; F106-V110 PolarHBondContact O-N 3.31Å; V110-A112 PolarHBondContact O-N 3.09Å; V110-W113 PolarHBondContact O-N 3.14Å; V110-Q114 HydrophobicContact CG1-CG 4.38Å; V110-Q114 WeakPolarHBondContact O-CB 3.48Å; V110-Q114 VanDerWaalsContact O-CG 3.3Å; V110-Q114 WeakPolarHBondContact O-CG 3.3Å; V110-Q114 PolarHBondContact O-N 2.72Å; V110-E145 HydrophobicContact CG2-CG 4.15Å; V110-I147 HydrophobicContact CG2-CD1 4.17Å
111N98.6Very high98.1Very high36 Ų3631.7 Ų31.719%0.19317%0.165CC..Hα-helixtrans-59.8-47.1178172.378.3000111.8N84 E107 E108 Q114 A115N84-N111 PolarHBondContact ND2-OD1 3.29Å; N84-N111 PolarHBondContact OD1-ND2 3.46Å; N84-N111 PolarHBondContact OD1-OD1 2.86Å; E107-N111 VanDerWaalsContact O-CB 3.23Å; E107-N111 WeakPolarHBondContact O-CB 3.39Å; E107-N111 PolarHBondContact O-N 2.81Å; E108-N111 PolarHBondContact O-N 3.12Å; N111-Q114 PolarHBondContact O-N 3.03Å; N111-A115 WeakPolarHBondContact O-CB 3.34Å; N111-A115 PolarHBondContact O-N 3.45Å
112A98.6Very high98Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-66.6-39.9179.500000112.2C72 I87 A101 E108 G109 V110 A115 G116 V117C72-A112 HydrophobicContact CB-CB 4.01Å; I87-A112 HydrophobicContact CD1-CB 4.32Å; A101-A112 HydrophobicContact CB-CB 3.46Å; A101-A112 VanDerWaalsContact CB-CB 3.46Å; E108-A112 WeakPolarHBondContact O-CB 3.32Å; E108-A112 PolarHBondContact O-N 3.37Å; G109-A112 PolarHBondContact O-N 3.37Å; V110-A112 PolarHBondContact O-N 3.09Å; A112-A115 WeakPolarHBondContact O-CB 3.46Å; A112-A115 PolarHBondContact O-N 3.5Å; A112-G116 PolarHBondContact O-N 3.07Å; A112-V117 HydrophobicContact CB-CG1 4.46Å; A112-V117 HydrophobicContact CB-CG2 4.16Å; A112-V117 WeakPolarHBondContact O-CG2 3.23Å; A112-V117 PolarHBondContact O-N 3.09Å
113W98.6Very high97.9Very high76 Ų7632.3 Ų32.329%0.28817%0.169SC..Hα-helixtrans-60-47.7175.2-174.4-108.4000111.8G109 V110 A115 G116 V120 I147 H148G109-W113 WeakPolarHBondContact O-CB 3.42Å; G109-W113 PolarHBondContact O-N 3.23Å; V110-W113 PolarHBondContact O-N 3.14Å; W113-A115 VanDerWaalsContact C-N 3.25Å; W113-A115 PolarHBondContact O-N 2.86Å; W113-G116 PolarHBondContact O-N 3.42Å; W113-V120 HydrophobicContact CB-CG2 4.34Å; W113-V120 HydrophobicContact CE3-CG2 4.2Å; W113-I147 HydrophobicContact CB-CD1 3.93Å; W113-I147 HydrophobicContact CB-CG1 4.11Å; W113-I147 HydrophobicContact CD2-CB 4.22Å; W113-I147 HydrophobicContact CD2-CG1 3.9Å; W113-I147 HydrophobicContact CD2-CG2 3.95Å; W113-I147 HydrophobicContact CE3-CB 4.4Å; W113-I147 HydrophobicContact CE3-CG2 3.7Å; W113-I147 HydrophobicContact CG-CB 4.5Å; W113-I147 HydrophobicContact CG-CD1 4.08Å; W113-I147 HydrophobicContact CG-CG1 3.7Å; W113-I147 HydrophobicContact CG-CG2 4.35Å; W113-I147 HydrophobicContact CZ3-CG2 4.12Å; W113-H148 HydrophobicContact CH2-CB 3.89Å; W113-H148 AromaticContact CH2-CG 3.71Å; W113-H148 AromaticContact CH2-ND1 3.73Å; W113-H148 HydrophobicContact CZ3-CB 3.95Å
114Q98.4Very high97.8Very high149 Ų14932.5 Ų32.570%0.69617%0.17SC*.Hα-helixtrans-64.9-28.6176-70.4176.4-3.800112.9V110 N111 G116V110-Q114 HydrophobicContact CG1-CG 4.38Å; V110-Q114 WeakPolarHBondContact O-CB 3.48Å; V110-Q114 VanDerWaalsContact O-CG 3.3Å; V110-Q114 WeakPolarHBondContact O-CG 3.3Å; V110-Q114 PolarHBondContact O-N 2.72Å; N111-Q114 PolarHBondContact O-N 3.03Å; Q114-G116 PolarHBondContact O-N 3.15Å
115A98.3Very high97.7Very high31 Ų3134.3 Ų34.326%0.25618%0.176SC..THydrogen-bonded Turntrans-73.8-10.6172.800000113.5N84 I87 N111 A112 W113N84-A115 HydrophobicContact CB-CB 4.39Å; I87-A115 HydrophobicContact CB-CB 4.28Å; I87-A115 HydrophobicContact CD1-CB 3.68Å; I87-A115 HydrophobicContact CG2-CB 4.05Å; I87-A115 VanDerWaalsContact CG2-O 3.28Å; I87-A115 WeakPolarHBondContact CG2-O 3.27Å; N111-A115 WeakPolarHBondContact O-CB 3.34Å; N111-A115 PolarHBondContact O-N 3.45Å; A112-A115 WeakPolarHBondContact O-CB 3.46Å; A112-A115 PolarHBondContact O-N 3.5Å; W113-A115 VanDerWaalsContact C-N 3.25Å; W113-A115 PolarHBondContact O-N 2.86Å
116G98.1Very high97.3Very high36 Ų3634.8 Ų34.837%0.37119%0.186SC..THydrogen-bonded Turntrans101.822.9169.300000115.8K91 A112 W113 Q114K91-G116 WeakPolarHBondContact CE-O 3.47Å; A112-G116 PolarHBondContact O-N 3.07Å; W113-G116 PolarHBondContact O-N 3.42Å; Q114-G116 PolarHBondContact O-N 3.15Å
117V98.7Very high96.8Very high7 Ų738.5 Ų38.54%0.04220%0.199CC..  trans-68159168.2-55.70000111.4I87 L99 A101 A112 F119 V120I87-V117 HydrophobicContact CD1-CG1 3.71Å; I87-V117 HydrophobicContact CG1-CG1 3.98Å; I87-V117 HydrophobicContact CG2-CG1 4.1Å; L99-V117 HydrophobicContact CB-CB 4.24Å; L99-V117 HydrophobicContact CB-CG1 4.22Å; A101-V117 HydrophobicContact CB-CB 4.37Å; A101-V117 HydrophobicContact CB-CG1 4.15Å; A101-V117 HydrophobicContact CB-CG2 3.87Å; A112-V117 HydrophobicContact CB-CG1 4.46Å; A112-V117 HydrophobicContact CB-CG2 4.16Å; A112-V117 WeakPolarHBondContact O-CG2 3.23Å; A112-V117 PolarHBondContact O-N 3.09Å; V117-F119 WeakPolarHBondContact CG2-O 3.5Å; V117-V120 HydrophobicContact CG2-CG2 4.08Å
118D98.7Very high96.1Very high44 Ų4434 Ų3424%0.23518%0.18CC..SBendtrans-93.6-25.6-175.4-50.9-89.9000112.3K91 L98 L99K91-D118 IonicContact NZ-OD1 3.87Å; K91-D118 PolarHBondContact NZ-OD1 3.41Å; K91-D118 IonicContact NZ-OD2 3.29Å; K91-D118 PolarHBondContact NZ-OD2 3.22Å; L98-D118 WeakPolarHBondContact CA-OD2 3.33Å; L98-D118 HydrophobicContact CB-CB 4.39Å; L98-D118 HydrophobicContact CD2-CB 4.08Å; L99-D118 PolarHBondContact N-OD2 3.04Å; L99-D118 PolarHBondContact O-N 2.66Å
119F98.8Very high95.2Very high44 Ų4442.8 Ų42.819%0.19322%0.221CC..EExtended strand (participates in β ladder)trans-139.3151.8176.6-53.8-75.3000111.8V67 L98 L99 M100 A101 V117 H148 I150 V170V67-F119 HydrophobicContact CG1-CD2 4.33Å; V67-F119 HydrophobicContact CG2-CD2 4.46Å; V67-F119 HydrophobicContact CG2-CE2 4.09Å; L98-F119 HydrophobicContact CB-CE2 4.46Å; L98-F119 HydrophobicContact CD1-CE2 4.34Å; L99-F119 PolarHBondContact O-N 3.4Å; M100-F119 CarbonylContact C-O 3.55Å; M100-F119 WeakPolarHBondContact CA-O 3.47Å; M100-F119 HydrophobicContact CB-CB 4.09Å; M100-F119 HydrophobicContact CG-CB 4.11Å; A101-F119 PolarHBondContact N-O 2.87Å; V117-F119 WeakPolarHBondContact CG2-O 3.5Å; F119-H148 WeakPolarHBondContact CA-O 3.42Å; F119-H148 HydrophobicContact CD1-CB 4.06Å; F119-I150 HydrophobicContact CB-CD1 3.8Å; F119-I150 HydrophobicContact CB-CG1 4.16Å; F119-I150 HydrophobicContact CD1-CD1 3.8Å; F119-I150 HydrophobicContact CD1-CG1 4.05Å; F119-I150 HydrophobicContact CD2-CD1 4.14Å; F119-I150 HydrophobicContact CE1-CD1 4.43Å; F119-I150 HydrophobicContact CG-CD1 3.63Å; F119-I150 HydrophobicContact CG-CG1 4.22Å; F119-V170 HydrophobicContact CD1-CG2 4.15Å; F119-V170 HydrophobicContact CE1-CG2 4.31Å
120V98.7Very high94Very high0 Ų044.6 Ų44.60%024%0.236CC..EExtended strand (participates in β ladder)trans-119.1127.9170.9177.90000109.5A101 I103 W113 V117 L142 I147 H148 V149 I150A101-V120 HydrophobicContact CB-CG2 4.46Å; I103-V120 HydrophobicContact CD1-CG1 4.33Å; I103-V120 HydrophobicContact CG1-CG1 3.48Å; I103-V120 VanDerWaalsContact CG1-CG1 3.48Å; I103-V120 HydrophobicContact CG2-CG1 4.44Å; W113-V120 HydrophobicContact CB-CG2 4.34Å; W113-V120 HydrophobicContact CE3-CG2 4.2Å; V117-V120 HydrophobicContact CG2-CG2 4.08Å; V120-L142 HydrophobicContact CG1-CD1 4.03Å; V120-I147 HydrophobicContact CB-CG2 3.62Å; V120-I147 HydrophobicContact CG2-CG2 3.43Å; V120-I147 VanDerWaalsContact CG2-CG2 3.43Å; V120-H148 PolarHBondContact N-O 3.29Å; V120-V149 CarbonylContact O-C 3.57Å; V120-V149 WeakPolarHBondContact O-CA 3.33Å; V120-I150 PolarHBondContact O-N 2.88Å
121G98.1Very high92.6Very high0 Ų051.4 Ų51.40%027%0.271CS..EExtended strand (participates in β ladder)trans-112.1134.2-178.600000113.1A101 I103 T123 I150A101-G121 PolarHBondContact O-N 2.75Å; I103-G121 WeakPolarHBondContact CG1-O 3.37Å; I103-G121 PolarHBondContact N-O 3.29Å; G121-T123 PolarHBondContact O-N 3.45Å; G121-T123 VanDerWaalsContact O-N 3.12Å; G121-I150 VanDerWaalsContact CA-O 3.28Å; G121-I150 WeakPolarHBondContact CA-O 3.15Å
122T97.1Very high91.4Very high0 Ų052 Ų520%028%0.278CS..  trans-79.615178.657.60000114.1I103 L124 R125 L138 V139 L142 V149 E152I103-T122 HydrophobicContact CD1-CG2 4.49Å; I103-T122 CarbonylContact O-C 3.55Å; T122-L124 VanDerWaalsContact C-N 3.27Å; T122-L124 PolarHBondContact O-N 2.63Å; T122-L124 VanDerWaalsContact O-N 3.14Å; T122-R125 WeakPolarHBondContact O-CB 3.37Å; T122-R125 PolarHBondContact O-N 3.43Å; T122-L138 HydrophobicContact CG2-CD2 3.77Å; T122-L138 HydrophobicContact CG2-CG 3.88Å; T122-V139 HydrophobicContact CG2-CG2 3.88Å; T122-L142 HydrophobicContact CG2-CD1 4.22Å; T122-V149 HydrophobicContact CG2-CG1 4.48Å; T122-E152 CarbonylContact C-O 3.59Å; T122-E152 VanDerWaalsContact O-O 3.11Å; T122-E152 PolarHBondContact OG1-N 3.2Å; T122-E152 PolarHBondContact OG1-O 2.74Å
123T96.3Very high90.8Very high13 Ų1356.1 Ų56.18%0.0830%0.299CS..THydrogen-bonded Turntrans-53.4-37.8-167-52.20000114.4R17 D102 G121 Y127 E152R17-T123 PolarHBondContact NH1-OG1 2.8Å; D102-T123 WeakPolarHBondContact OD1-CB 3.37Å; D102-T123 PolarHBondContact OD1-OG1 3.26Å; G121-T123 PolarHBondContact O-N 3.45Å; G121-T123 VanDerWaalsContact O-N 3.12Å; T123-Y127 VanDerWaalsContact O-CD2 3.26Å; T123-Y127 WeakPolarHBondContact O-CD2 3.45Å; T123-Y127 WeakPolarHBondContact O-CE2 3.43Å; T123-E152 HydrophobicContact CG2-CG 4.03Å; T123-E152 WeakPolarHBondContact CG2-OE1 3.4Å; T123-E152 PolarHBondContact N-O 2.97Å; T123-E152 WeakPolarHBondContact OG1-CB 3.46Å; T123-E152 WeakPolarHBondContact OG1-CG 3.15Å; T123-E152 PolarHBondContact OG1-OE2 3.09Å
124L95.8Very high90.3Very high4 Ų454.7 Ų54.72%0.02130%0.301CS..THydrogen-bonded Turntrans-96.14.4-174.7-67.6173.1000113I50 D71 T73 D102 I103 S104 T122 G126 Y127 T128I50-L124 HydrophobicContact CD1-CD1 4.47Å; I50-L124 HydrophobicContact CD1-CD2 3.83Å; I50-L124 HydrophobicContact CD1-CG 4.3Å; D71-L124 HydrophobicContact CB-CD1 4.06Å; D71-L124 WeakPolarHBondContact OD2-CD1 3.34Å; T73-L124 HydrophobicContact CG2-CB 4.42Å; T73-L124 HydrophobicContact CG2-CD1 3.72Å; D102-L124 HydrophobicContact CB-CD1 4.1Å; D102-L124 HydrophobicContact CB-CG 4.24Å; I103-L124 CarbonylContact O-C 3.54Å; I103-L124 WeakPolarHBondContact O-CA 3.28Å; I103-L124 WeakPolarHBondContact O-CB 3.25Å; I103-L124 PolarHBondContact O-N 3.4Å; S104-L124 VanDerWaalsContact CB-O 3.28Å; S104-L124 WeakPolarHBondContact CB-O 3.38Å; T122-L124 VanDerWaalsContact C-N 3.27Å; T122-L124 PolarHBondContact O-N 2.63Å; T122-L124 VanDerWaalsContact O-N 3.14Å; L124-G126 PolarHBondContact O-N 3.4Å; L124-Y127 PolarHBondContact O-N 3.16Å; L124-T128 HydrophobicContact CB-CG2 4.45Å
125R93.2Very high89.8Confident42 Ų4248.6 Ų48.616%0.15827%0.274CS..THydrogen-bonded Turntrans-57.4121.6172.5-178.5-88.9177.2-137.1-9.1109.8I103 T122 Y127 S132 I133 L138I103-R125 PolarHBondContact O-N 2.66Å; T122-R125 WeakPolarHBondContact O-CB 3.37Å; T122-R125 PolarHBondContact O-N 3.43Å; R125-Y127 VanDerWaalsContact C-N 3.26Å; R125-Y127 WeakPolarHBondContact O-CD2 3.44Å; R125-Y127 PolarHBondContact O-N 3.17Å; R125-S132 PolarHBondContact NH2-O 3.17Å; R125-S132 PolarHBondContact NH2-OG 3.42Å; R125-I133 PolarHBondContact NE-O 2.93Å; R125-I133 PolarHBondContact NH2-O 3.19Å; R125-L138 HydrophobicContact CB-CD2 4.07Å; R125-L138 HydrophobicContact CG-CD2 4.04Å
126G88.8Confident89.6Confident33 Ų3348.2 Ų48.234%0.3427%0.269SS..THydrogen-bonded Turntrans76.75.8-177.200000115.1L124L124-G126 PolarHBondContact O-N 3.4Å
127Y85.8Confident89.4Confident137 Ų13750.6 Ų50.654%0.53727%0.274SS..SBendtrans-108.35.9172.5-61.3-79.4000112.7T123 L124 R125T123-Y127 VanDerWaalsContact O-CD2 3.26Å; T123-Y127 WeakPolarHBondContact O-CD2 3.45Å; T123-Y127 WeakPolarHBondContact O-CE2 3.43Å; L124-Y127 PolarHBondContact O-N 3.16Å; R125-Y127 VanDerWaalsContact C-N 3.26Å; R125-Y127 WeakPolarHBondContact O-CD2 3.44Å; R125-Y127 PolarHBondContact O-N 3.17Å
128T82.8Confident89.3Confident26 Ų2650.4 Ų50.416%0.1627%0.272CS..SBendtrans-120.1169172.366.60000109.4T73 S104 L124 A130T73-T128 HydrophobicContact CG2-CG2 3.96Å; S104-T128 WeakPolarHBondContact CB-OG1 3.46Å; S104-T128 PolarHBondContact OG-OG1 2.95Å; L124-T128 HydrophobicContact CB-CG2 4.45Å; T128-A130 PolarHBondContact O-N 2.92Å; T128-A130 PolarHBondContact OG1-N 2.91Å
129Q78.6Confident89.2Confident198 Ų19848.3 Ų48.393%0.92526%0.261SS*.SBendtrans-762.2175.4-63.5-176.47.100113.3
130A74.3Confident89.1Confident38 Ų3850.5 Ų50.531%0.31427%0.27SS..SBendtrans-73.7145.6-179.400000111.6T105 T128 S132T105-A130 HydrophobicContact CG2-CB 3.58Å; T128-A130 PolarHBondContact O-N 2.92Å; T128-A130 PolarHBondContact OG1-N 2.91Å; A130-S132 PolarHBondContact O-N 2.81Å
131D68.2Low89Confident165 Ų16552 Ų5288%0.88228%0.283SS*.  trans-58.6125.4171.2-73-32.6000109.5
132S73Confident89Confident48 Ų4852 Ų5234%0.33628%0.283SS..  trans-115.8111.1-172.857.90000111.7R125 A130R125-S132 PolarHBondContact NH2-O 3.17Å; R125-S132 PolarHBondContact NH2-OG 3.42Å; A130-S132 PolarHBondContact O-N 2.81Å
133I86.4Confident89.1Confident88 Ų8853.7 Ų53.745%0.45129%0.293SS..  trans-62.9164.6162.663.6178.6000110.2R125 D137 L138R125-I133 PolarHBondContact NE-O 2.93Å; R125-I133 PolarHBondContact NH2-O 3.19Å; I133-D137 HydrophobicContact CB-CB 4.17Å; I133-D137 HydrophobicContact CD1-CB 3.91Å; I133-D137 HydrophobicContact CG1-CB 4.17Å; I133-L138 HydrophobicContact CD1-CB 3.99Å; I133-L138 HydrophobicContact CD1-CD1 4.41Å; I133-L138 HydrophobicContact CG1-CB 3.96Å
134S88.5Confident89.2Confident46 Ų4658.3 Ų58.332%0.32232%0.317SS..  trans-59.9155.5-178.779.50000111.9S136 D137 L138S134-S136 PolarHBondContact O-N 3.08Å; S134-D137 WeakPolarHBondContact CB-OD2 3.25Å; S134-D137 PolarHBondContact O-N 3.18Å; S134-D137 VanDerWaalsContact O-N 3.08Å; S134-D137 PolarHBondContact OG-N 3.04Å; S134-D137 VanDerWaalsContact OG-N 3.1Å; S134-D137 PolarHBondContact OG-OD2 2.88Å; S134-L138 PolarHBondContact O-N 3.37Å
135T88.2Confident89.3Confident20 Ų2063.3 Ų63.312%0.12334%0.341CS..Hα-helixtrans-55.5-40.7175.6-57.10000111.1D137 L138 V139 I164T135-D137 PolarHBondContact O-N 2.87Å; T135-L138 PolarHBondContact O-N 3.44Å; T135-V139 HydrophobicContact CG2-CG2 4.25Å; T135-V139 WeakPolarHBondContact O-CB 3.38Å; T135-V139 WeakPolarHBondContact O-CG2 3.48Å; T135-V139 PolarHBondContact O-N 3.33Å; T135-I164 HydrophobicContact CG2-CD1 4.01Å
136S92.6Very high89.5Confident23 Ų2363.7 Ų63.716%0.16136%0.358CS..Hα-helixtrans-61.5-43175.8-65.40000112.7S134 K140 L167S134-S136 PolarHBondContact O-N 3.08Å; S136-K140 VanDerWaalsContact O-CB 3.3Å; S136-K140 WeakPolarHBondContact O-CB 3.32Å; S136-K140 PolarHBondContact O-N 3.4Å; S136-L167 VanDerWaalsContact O-CD1 3.32Å; S136-L167 WeakPolarHBondContact O-CD1 3.37Å
137D94.4Very high90Very high87 Ų8762.4 Ų62.447%0.46534%0.343SS..Hα-helixtrans-68.9-39.9-179.4-58.7-37.3000111.4I133 S134 T135 K140 A141I133-D137 HydrophobicContact CB-CB 4.17Å; I133-D137 HydrophobicContact CD1-CB 3.91Å; I133-D137 HydrophobicContact CG1-CB 4.17Å; S134-D137 WeakPolarHBondContact CB-OD2 3.25Å; S134-D137 PolarHBondContact O-N 3.18Å; S134-D137 VanDerWaalsContact O-N 3.08Å; S134-D137 PolarHBondContact OG-N 3.04Å; S134-D137 VanDerWaalsContact OG-N 3.1Å; S134-D137 PolarHBondContact OG-OD2 2.88Å; T135-D137 PolarHBondContact O-N 2.87Å; D137-K140 PolarHBondContact O-N 3.25Å; D137-A141 WeakPolarHBondContact O-CB 3.36Å; D137-A141 PolarHBondContact O-N 3.45Å
138L96.2Very high90.6Very high2 Ų260.6 Ų60.61%0.0134%0.339CS..Hα-helixtrans-65.3-46176.3-178.358000111.8I103 F106 T122 R125 I133 S134 T135 K140 A141 L142I103-L138 HydrophobicContact CD1-CD2 3.92Å; F106-L138 HydrophobicContact CB-CD1 4.04Å; T122-L138 HydrophobicContact CG2-CD2 3.77Å; T122-L138 HydrophobicContact CG2-CG 3.88Å; R125-L138 HydrophobicContact CB-CD2 4.07Å; R125-L138 HydrophobicContact CG-CD2 4.04Å; I133-L138 HydrophobicContact CD1-CB 3.99Å; I133-L138 HydrophobicContact CD1-CD1 4.41Å; I133-L138 HydrophobicContact CG1-CB 3.96Å; S134-L138 PolarHBondContact O-N 3.37Å; T135-L138 PolarHBondContact O-N 3.44Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-K140 PolarHBondContact O-N 2.81Å; L138-A141 PolarHBondContact O-N 2.98Å; L138-L142 HydrophobicContact CD1-CD1 4.03Å; L138-L142 HydrophobicContact CD1-CG 4.24Å; L138-L142 HydrophobicContact CG-CD1 4.06Å; L138-L142 WeakPolarHBondContact O-CG 3.26Å; L138-L142 PolarHBondContact O-N 3.24Å; L138-L142 VanDerWaalsContact O-N 3.08Å
139V97Very high91.4Very high0 Ų059.3 Ų59.30%033%0.332CS..Hα-helixtrans-58.3-48.7174.9168.80000110.1T122 T135 A141 L142 V143 V149 A151 I164 L167 A169T122-V139 HydrophobicContact CG2-CG2 3.88Å; T135-V139 HydrophobicContact CG2-CG2 4.25Å; T135-V139 WeakPolarHBondContact O-CB 3.38Å; T135-V139 WeakPolarHBondContact O-CG2 3.48Å; T135-V139 PolarHBondContact O-N 3.33Å; V139-A141 PolarHBondContact O-N 2.98Å; V139-L142 PolarHBondContact O-N 3.14Å; V139-V143 HydrophobicContact CG1-CG2 4.28Å; V139-V143 VanDerWaalsContact O-CG2 3.31Å; V139-V143 WeakPolarHBondContact O-CG2 3.02Å; V139-V143 PolarHBondContact O-N 3.43Å; V139-V149 HydrophobicContact CG1-CG1 4.23Å; V139-V149 HydrophobicContact CG2-CG1 4.15Å; V139-A151 HydrophobicContact CG2-CB 3.68Å; V139-I164 HydrophobicContact CG1-CG2 4.43Å; V139-I164 HydrophobicContact CG2-CG2 4.39Å; V139-L167 HydrophobicContact CB-CD1 4.43Å; V139-L167 HydrophobicContact CG1-CB 4.17Å; V139-L167 HydrophobicContact CG1-CD1 4.27Å; V139-A169 HydrophobicContact CG1-CB 4.05Å
140K97.2Very high92.3Very high90 Ų9050.7 Ų50.739%0.39129%0.291SS..Hα-helixtrans-59.4-47.9-179.9-170.1-170.3-173.6-36.50111.5S136 D137 L138 L142 V143 D144 L167S136-K140 VanDerWaalsContact O-CB 3.3Å; S136-K140 WeakPolarHBondContact O-CB 3.32Å; S136-K140 PolarHBondContact O-N 3.4Å; D137-K140 PolarHBondContact O-N 3.25Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-K140 PolarHBondContact O-N 2.81Å; K140-L142 VanDerWaalsContact C-N 3.35Å; K140-L142 PolarHBondContact O-N 3.16Å; K140-V143 PolarHBondContact O-N 3.13Å; K140-D144 IonicContact NZ-OD1 2.91Å; K140-D144 PolarHBondContact NZ-OD1 3.36Å; K140-D144 IonicContact NZ-OD2 2.6Å; K140-D144 PolarHBondContact NZ-OD2 3.43Å; K140-D144 WeakPolarHBondContact O-CB 3.46Å; K140-D144 VanDerWaalsContact O-CG 3.24Å; K140-D144 PolarHBondContact O-N 3.27Å; K140-L167 HydrophobicContact CB-CD1 4.4Å; K140-L167 HydrophobicContact CB-CD2 4.33Å; K140-L167 HydrophobicContact CG-CD2 4.36Å
141A97.5Very high93.4Very high33 Ų3348.9 Ų48.927%0.27328%0.276SS..Hα-helixtrans-60-44.4-17900000112F106 D137 L138 V139 D144 E145F106-A141 HydrophobicContact CD2-CB 3.78Å; F106-A141 HydrophobicContact CE2-CB 4.05Å; F106-A141 WeakPolarHBondContact CE2-O 3.19Å; D137-A141 WeakPolarHBondContact O-CB 3.36Å; D137-A141 PolarHBondContact O-N 3.45Å; L138-A141 PolarHBondContact O-N 2.98Å; V139-A141 PolarHBondContact O-N 2.98Å; A141-D144 PolarHBondContact O-N 3.03Å; A141-E145 PolarHBondContact O-N 3.43Å; A141-E145 VanDerWaalsContact O-N 3.15Å
142L98.2Very high94.7Very high0 Ų042.1 Ų42.10%024%0.24CC..Hα-helixtrans-67-40.7177.8-68.4167.8000112.2I103 F106 V120 T122 L138 V139 K140 E145 G146 I147 V149I103-L142 HydrophobicContact CD1-CD1 4.28Å; F106-L142 HydrophobicContact CD2-CD2 3.76Å; F106-L142 HydrophobicContact CD2-CG 4.12Å; F106-L142 HydrophobicContact CE2-CD2 4.16Å; V120-L142 HydrophobicContact CG1-CD1 4.03Å; T122-L142 HydrophobicContact CG2-CD1 4.22Å; L138-L142 HydrophobicContact CD1-CD1 4.03Å; L138-L142 HydrophobicContact CD1-CG 4.24Å; L138-L142 HydrophobicContact CG-CD1 4.06Å; L138-L142 WeakPolarHBondContact O-CG 3.26Å; L138-L142 PolarHBondContact O-N 3.24Å; L138-L142 VanDerWaalsContact O-N 3.08Å; V139-L142 PolarHBondContact O-N 3.14Å; K140-L142 VanDerWaalsContact C-N 3.35Å; K140-L142 PolarHBondContact O-N 3.16Å; L142-E145 WeakPolarHBondContact O-CB 3.31Å; L142-E145 PolarHBondContact O-N 3.49Å; L142-G146 PolarHBondContact O-N 2.9Å; L142-I147 HydrophobicContact CB-CB 4.45Å; L142-I147 HydrophobicContact CD2-CD1 3.72Å; L142-I147 VanDerWaalsContact O-CB 3.3Å; L142-I147 WeakPolarHBondContact O-CB 3.49Å; L142-I147 PolarHBondContact O-N 2.73Å; L142-I147 VanDerWaalsContact O-N 3.11Å; L142-V149 HydrophobicContact CB-CG2 3.4Å; L142-V149 HydrophobicContact CD1-CG2 4.27Å; L142-V149 HydrophobicContact CG-CG2 4.47Å
143V98.2Very high95.5Very high34 Ų3440.7 Ų40.721%0.20623%0.232CC..Hα-helixtrans-64.9-42.5176.1171.80000111.3V139 K140 E145 G146 V149 L167V139-V143 HydrophobicContact CG1-CG2 4.28Å; V139-V143 VanDerWaalsContact O-CG2 3.31Å; V139-V143 WeakPolarHBondContact O-CG2 3.02Å; V139-V143 PolarHBondContact O-N 3.43Å; K140-V143 PolarHBondContact O-N 3.13Å; V143-E145 PolarHBondContact O-N 3.4Å; V143-G146 WeakPolarHBondContact O-CA 3.45Å; V143-G146 PolarHBondContact O-N 2.81Å; V143-V149 HydrophobicContact CG2-CB 4.05Å; V143-V149 HydrophobicContact CG2-CG2 3.79Å; V143-L167 WeakPolarHBondContact CG1-O 3.3Å
144D98.2Very high95.6Very high110 Ų11040.5 Ų40.559%0.58823%0.229SC*.Hα-helixtrans-62-30.4176.7-71.4-12.2000111.9K140 A141 G146K140-D144 IonicContact NZ-OD1 2.91Å; K140-D144 PolarHBondContact NZ-OD1 3.36Å; K140-D144 IonicContact NZ-OD2 2.6Å; K140-D144 PolarHBondContact NZ-OD2 3.43Å; K140-D144 WeakPolarHBondContact O-CB 3.46Å; K140-D144 VanDerWaalsContact O-CG 3.24Å; K140-D144 PolarHBondContact O-N 3.27Å; A141-D144 PolarHBondContact O-N 3.03Å; D144-G146 PolarHBondContact O-N 2.77Å
145E98.1Very high95.9Very high109 Ų10938.7 Ų38.751%0.50922%0.216SC..THydrogen-bonded Turntrans-75.5-3.7173.1-167.359.9-154.400113F106 V110 A141 L142 V143 I147F106-E145 HydrophobicContact CE2-CB 4.12Å; F106-E145 HydrophobicContact CE2-CG 4.43Å; F106-E145 HydrophobicContact CZ-CB 4.23Å; F106-E145 HydrophobicContact CZ-CG 4.14Å; V110-E145 HydrophobicContact CG2-CG 4.15Å; A141-E145 PolarHBondContact O-N 3.43Å; A141-E145 VanDerWaalsContact O-N 3.15Å; L142-E145 WeakPolarHBondContact O-CB 3.31Å; L142-E145 PolarHBondContact O-N 3.49Å; V143-E145 PolarHBondContact O-N 3.4Å; E145-I147 HydrophobicContact CB-CD1 4.34Å; E145-I147 HydrophobicContact CB-CG1 4.36Å; E145-I147 HydrophobicContact CG-CD1 4.21Å; E145-I147 HydrophobicContact CG-CG1 4.41Å
146G98.1Very high96.2Very high50 Ų5041.7 Ų41.752%0.51523%0.228SC..THydrogen-bonded Turntrans83.319.4178.600000114.7L142 V143 D144L142-G146 PolarHBondContact O-N 2.9Å; V143-G146 WeakPolarHBondContact O-CA 3.45Å; V143-G146 PolarHBondContact O-N 2.81Å; D144-G146 PolarHBondContact O-N 2.77Å
147I98.5Very high96.3Very high6 Ų643 Ų433%0.03124%0.236CC..  trans-86.2140.2-179.6-61.9177000110.5V110 W113 V120 L142 E145 V149V110-I147 HydrophobicContact CG2-CD1 4.17Å; W113-I147 HydrophobicContact CB-CD1 3.93Å; W113-I147 HydrophobicContact CB-CG1 4.11Å; W113-I147 HydrophobicContact CD2-CB 4.22Å; W113-I147 HydrophobicContact CD2-CG1 3.9Å; W113-I147 HydrophobicContact CD2-CG2 3.95Å; W113-I147 HydrophobicContact CE3-CB 4.4Å; W113-I147 HydrophobicContact CE3-CG2 3.7Å; W113-I147 HydrophobicContact CG-CB 4.5Å; W113-I147 HydrophobicContact CG-CD1 4.08Å; W113-I147 HydrophobicContact CG-CG1 3.7Å; W113-I147 HydrophobicContact CG-CG2 4.35Å; W113-I147 HydrophobicContact CZ3-CG2 4.12Å; V120-I147 HydrophobicContact CB-CG2 3.62Å; V120-I147 HydrophobicContact CG2-CG2 3.43Å; V120-I147 VanDerWaalsContact CG2-CG2 3.43Å; L142-I147 HydrophobicContact CB-CB 4.45Å; L142-I147 HydrophobicContact CD2-CD1 3.72Å; L142-I147 VanDerWaalsContact O-CB 3.3Å; L142-I147 WeakPolarHBondContact O-CB 3.49Å; L142-I147 PolarHBondContact O-N 2.73Å; L142-I147 VanDerWaalsContact O-N 3.11Å; E145-I147 HydrophobicContact CB-CD1 4.34Å; E145-I147 HydrophobicContact CB-CG1 4.36Å; E145-I147 HydrophobicContact CG-CD1 4.21Å; E145-I147 HydrophobicContact CG-CG1 4.41Å; I147-V149 HydrophobicContact CB-CG2 4.43Å; I147-V149 HydrophobicContact CG2-CG2 4.21Å; I147-V149 PolarHBondContact O-N 2.83Å; I147-V149 VanDerWaalsContact O-N 3.1Å
148H98.5Very high96.5Very high99 Ų9943.6 Ų43.646%0.45824%0.244SC..  trans-75.897.2171-65159.9000111W113 F119 V120 V170W113-H148 HydrophobicContact CH2-CB 3.89Å; W113-H148 AromaticContact CH2-CG 3.71Å; W113-H148 AromaticContact CH2-ND1 3.73Å; W113-H148 HydrophobicContact CZ3-CB 3.95Å; F119-H148 WeakPolarHBondContact CA-O 3.42Å; F119-H148 HydrophobicContact CD1-CB 4.06Å; V120-H148 PolarHBondContact N-O 3.29Å; H148-V170 HydrophobicContact CB-CG1 4.38Å; H148-V170 HydrophobicContact CB-CG2 4.19Å
149V98.5Very high96.5Very high0 Ų049.8 Ų49.80%027%0.273CS..EExtended strand (participates in β ladder)trans-91.2125.5-175.2-1770000112.1V120 T122 V139 L142 V143 I147 A169 V170V120-V149 CarbonylContact O-C 3.57Å; V120-V149 WeakPolarHBondContact O-CA 3.33Å; T122-V149 HydrophobicContact CG2-CG1 4.48Å; V139-V149 HydrophobicContact CG1-CG1 4.23Å; V139-V149 HydrophobicContact CG2-CG1 4.15Å; L142-V149 HydrophobicContact CB-CG2 3.4Å; L142-V149 HydrophobicContact CD1-CG2 4.27Å; L142-V149 HydrophobicContact CG-CG2 4.47Å; V143-V149 HydrophobicContact CG2-CB 4.05Å; V143-V149 HydrophobicContact CG2-CG2 3.79Å; I147-V149 HydrophobicContact CB-CG2 4.43Å; I147-V149 HydrophobicContact CG2-CG2 4.21Å; I147-V149 PolarHBondContact O-N 2.83Å; I147-V149 VanDerWaalsContact O-N 3.1Å; V149-A169 CarbonylContact O-C 3.49Å; V149-A169 WeakPolarHBondContact O-CA 3.17Å; V149-V170 VanDerWaalsContact O-CG2 3.3Å; V149-V170 WeakPolarHBondContact O-CG2 3.23Å; V149-V170 PolarHBondContact O-N 3.39Å
150I98.5Very high96.4Very high16 Ų1653.5 Ų53.58%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-100.3102.4162.7-64.1176.6000107.3I36 M100 F119 V120 G121 E152 V170 G171 V173I36-I150 HydrophobicContact CD1-CD1 4.3Å; M100-I150 HydrophobicContact CE-CB 3.85Å; M100-I150 HydrophobicContact CE-CG2 3.79Å; M100-I150 HydrophobicContact SD-CB 4.31Å; M100-I150 HydrophobicContact SD-CD1 3.94Å; M100-I150 HydrophobicContact SD-CG2 4.33Å; F119-I150 HydrophobicContact CB-CD1 3.8Å; F119-I150 HydrophobicContact CB-CG1 4.16Å; F119-I150 HydrophobicContact CD1-CD1 3.8Å; F119-I150 HydrophobicContact CD1-CG1 4.05Å; F119-I150 HydrophobicContact CD2-CD1 4.14Å; F119-I150 HydrophobicContact CE1-CD1 4.43Å; F119-I150 HydrophobicContact CG-CD1 3.63Å; F119-I150 HydrophobicContact CG-CG1 4.22Å; V120-I150 PolarHBondContact O-N 2.88Å; G121-I150 VanDerWaalsContact CA-O 3.28Å; G121-I150 WeakPolarHBondContact CA-O 3.15Å; I150-E152 PolarHBondContact O-N 3.16Å; I150-V170 HydrophobicContact CG1-CG2 4.07Å; I150-G171 CarbonylContact C-O 3.59Å; I150-G171 WeakPolarHBondContact CA-O 3.38Å; I150-V173 HydrophobicContact CG2-CG2 3.58Å
151A97.1Very high96.4Very high0 Ų050.3 Ų50.30%028%0.281CS..EExtended strand (participates in β ladder)trans-71.1124.5-177.100000110.9V139 I155 I164 A169 G171 V172 V173V139-A151 HydrophobicContact CG2-CB 3.68Å; A151-I155 HydrophobicContact CB-CD1 4.48Å; A151-I164 HydrophobicContact CB-CG2 3.12Å; A151-A169 HydrophobicContact CB-CB 4.13Å; A151-G171 PolarHBondContact N-O 3.42Å; A151-V172 CarbonylContact O-C 3.56Å; A151-V172 WeakPolarHBondContact O-CA 3.4Å; A151-V173 PolarHBondContact O-N 3.01Å
152E96.6Very high96.4Very high24 Ų2454.2 Ų54.211%0.11229%0.291CS..EExtended strand (participates in β ladder)trans-143.3145.8-177.2-177.3167.6160.400110.3R17 T122 T123 I150 V173R17-E152 WeakPolarHBondContact CD-OE1 3.29Å; R17-E152 WeakPolarHBondContact CD-OE2 3.29Å; R17-E152 IonicContact CZ-OE1 3.21Å; R17-E152 IonicContact CZ-OE2 3.24Å; R17-E152 VanDerWaalsContact CZ-OE2 3.24Å; R17-E152 IonicContact NE-OE1 3.17Å; R17-E152 PolarHBondContact NE-OE1 2.95Å; R17-E152 VanDerWaalsContact NE-OE1 3.17Å; R17-E152 IonicContact NE-OE2 3.43Å; R17-E152 PolarHBondContact NE-OE2 2.83Å; R17-E152 VanDerWaalsContact NH1-CD 3.28Å; R17-E152 IonicContact NH1-OE1 3.4Å; R17-E152 PolarHBondContact NH1-OE1 2.92Å; R17-E152 IonicContact NH1-OE2 2.66Å; R17-E152 PolarHBondContact NH1-OE2 3.28Å; R17-E152 IonicContact NH2-OE1 3.78Å; T122-E152 CarbonylContact C-O 3.59Å; T122-E152 VanDerWaalsContact O-O 3.11Å; T122-E152 PolarHBondContact OG1-N 3.2Å; T122-E152 PolarHBondContact OG1-O 2.74Å; T123-E152 HydrophobicContact CG2-CG 4.03Å; T123-E152 WeakPolarHBondContact CG2-OE1 3.4Å; T123-E152 PolarHBondContact N-O 2.97Å; T123-E152 WeakPolarHBondContact OG1-CB 3.46Å; T123-E152 WeakPolarHBondContact OG1-CG 3.15Å; T123-E152 PolarHBondContact OG1-OE2 3.09Å; I150-E152 PolarHBondContact O-N 3.16Å; E152-V173 HydrophobicContact CB-CB 3.96Å; E152-V173 HydrophobicContact CG-CB 3.83Å; E152-V173 HydrophobicContact CG-CG1 3.96Å; E152-V173 WeakPolarHBondContact OE2-CB 3.36Å; E152-V173 WeakPolarHBondContact OE2-CG1 3.44Å
153G89.9Confident96.3Very high17 Ų1762.1 Ų62.118%0.17532%0.321CS..SBendtrans104.2127.7173.200000113.6I155G153-I155 PolarHBondContact O-N 3.11Å; G153-I155 VanDerWaalsContact O-N 3.07Å
154Q88.2Confident96.1Very high84 Ų8460.8 Ų60.839%0.39331%0.313SS..SBendtrans56.121.3175.1-57.4-177.9-7.200115.9H156Q154-H156 PolarHBondContact O-N 3.38Å
155I93.6Very high95.9Very high9 Ų961.4 Ų61.45%0.04631%0.312CS..  trans-82.9107.6172-52.6177.1000107.8A151 G153 E160 A161 I164 V172 V174A151-I155 HydrophobicContact CB-CD1 4.48Å; G153-I155 PolarHBondContact O-N 3.11Å; G153-I155 VanDerWaalsContact O-N 3.07Å; I155-E160 HydrophobicContact CG2-CB 4.22Å; I155-A161 HydrophobicContact CG2-CB 3.84Å; I155-I164 HydrophobicContact CD1-CD1 3.52Å; I155-I164 HydrophobicContact CG1-CD1 3.65Å; I155-V172 HydrophobicContact CD1-CG1 3.45Å; I155-V172 VanDerWaalsContact CD1-CG1 3.45Å; I155-V174 HydrophobicContact CB-CG2 4.46Å; I155-V174 HydrophobicContact CG2-CG2 4.12Å
156H94.6Very high95.9Very high82 Ų8261.3 Ų61.338%0.3832%0.316SS..  trans-112.7-19.1-171.7-67.8150.5000114.5Q154 E160Q154-H156 PolarHBondContact O-N 3.38Å; H156-E160 PolarHBondContact N-OE2 3.05Å
157T96.3Very high95.9Very high52 Ų5261.4 Ų61.432%0.31930%0.304SS..SBendtrans-125155.3178.588.90000113E159 E160 A161T157-E159 WeakPolarHBondContact CB-OE2 3.32Å; T157-E159 PolarHBondContact O-N 3.01Å; T157-E159 PolarHBondContact OG1-N 2.7Å; T157-E159 PolarHBondContact OG1-OE2 3.34Å; T157-E160 PolarHBondContact N-OE2 3.19Å; T157-E160 PolarHBondContact O-N 3.37Å; T157-E160 PolarHBondContact OG1-N 2.6Å; T157-A161 PolarHBondContact O-N 2.92Å; T157-A161 VanDerWaalsContact O-N 3.12Å
158P97.3Very high95.8Very high99 Ų9963.1 Ų63.164%0.64332%0.323SS*.Hα-helixtrans-57.9-34.1172.5-25.135.7000113.5A161 K162P158-A161 PolarHBondContact O-N 2.75Å; P158-K162 WeakPolarHBondContact O-CB 3.33Å; P158-K162 PolarHBondContact O-N 3.41Å
159E97.1Very high95.8Very high131 Ų13159 Ų5961%0.61231%0.306SS*.Hα-helixtrans-67.6-40.1179.4-59.170-150.700111.5T157 K162 R163T157-E159 WeakPolarHBondContact CB-OE2 3.32Å; T157-E159 PolarHBondContact O-N 3.01Å; T157-E159 PolarHBondContact OG1-N 2.7Å; T157-E159 PolarHBondContact OG1-OE2 3.34Å; E159-K162 PolarHBondContact O-N 3.07Å; E159-R163 WeakPolarHBondContact O-CB 3.35Å; E159-R163 PolarHBondContact O-N 2.81Å
160E94.8Very high95.8Very high79 Ų7963 Ų6337%0.36933%0.331SS..Hα-helixtrans-63.3-46.3172.7-70.8172.8166.800111I155 H156 T157 K162 R163 I164I155-E160 HydrophobicContact CG2-CB 4.22Å; H156-E160 PolarHBondContact N-OE2 3.05Å; T157-E160 PolarHBondContact N-OE2 3.19Å; T157-E160 PolarHBondContact O-N 3.37Å; T157-E160 PolarHBondContact OG1-N 2.6Å; E160-K162 VanDerWaalsContact C-N 3.34Å; E160-K162 PolarHBondContact O-N 2.96Å; E160-R163 PolarHBondContact O-N 3.31Å; E160-I164 WeakPolarHBondContact O-CB 3.34Å; E160-I164 VanDerWaalsContact O-CG1 3.32Å; E160-I164 WeakPolarHBondContact O-CG1 3.17Å; E160-I164 PolarHBondContact O-N 3.08Å
161A96.5Very high95.7Very high22 Ų2263.4 Ų63.418%0.18234%0.339CS..Hα-helixtrans-59.8-44.7177.200000111.5I155 T157 P158 I164 Q165 V172I155-A161 HydrophobicContact CG2-CB 3.84Å; T157-A161 PolarHBondContact O-N 2.92Å; T157-A161 VanDerWaalsContact O-N 3.12Å; P158-A161 PolarHBondContact O-N 2.75Å; A161-I164 PolarHBondContact O-N 3.39Å; A161-Q165 WeakPolarHBondContact O-CB 3.27Å; A161-Q165 PolarHBondContact O-N 3.37Å; A161-V172 HydrophobicContact CB-CG1 4.34Å
162K97.2Very high95.8Very high115 Ų11565.8 Ų65.850%0.535%0.353SS..Hα-helixtrans-61.7-47.8175.6174.5164.6174.738.60111.7P158 E159 E160 I164 Q165 D166P158-K162 WeakPolarHBondContact O-CB 3.33Å; P158-K162 PolarHBondContact O-N 3.41Å; E159-K162 PolarHBondContact O-N 3.07Å; E160-K162 VanDerWaalsContact C-N 3.34Å; E160-K162 PolarHBondContact O-N 2.96Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 2.92Å; K162-Q165 PolarHBondContact O-N 3.47Å; K162-D166 VanDerWaalsContact NZ-CG 3.29Å; K162-D166 IonicContact NZ-OD1 3.54Å; K162-D166 PolarHBondContact NZ-OD1 3.32Å; K162-D166 IonicContact NZ-OD2 3.94Å; K162-D166 PolarHBondContact NZ-OD2 3.25Å; K162-D166 VanDerWaalsContact O-CG 3.22Å; K162-D166 PolarHBondContact O-N 2.94Å
163R95.7Very high95.9Very high166 Ų16665.9 Ų65.963%0.62636%0.355SS*.Hα-helixtrans-57.6-44.6178.9-179.8-177.2177117.70.3111E159 E160 D166 L167E159-R163 WeakPolarHBondContact O-CB 3.35Å; E159-R163 PolarHBondContact O-N 2.81Å; E160-R163 PolarHBondContact O-N 3.31Å; R163-D166 PolarHBondContact O-N 2.89Å; R163-L167 WeakPolarHBondContact O-CG 3.49Å; R163-L167 PolarHBondContact O-N 3.42Å
164I94.9Very high96.2Very high6 Ų667.2 Ų67.23%0.03136%0.36CS..Hα-helixtrans-64.6-43178.2-74.2169.6000111.5T135 V139 A151 I155 E160 A161 K162 D166 L167 A169 V172T135-I164 HydrophobicContact CG2-CD1 4.01Å; V139-I164 HydrophobicContact CG1-CG2 4.43Å; V139-I164 HydrophobicContact CG2-CG2 4.39Å; A151-I164 HydrophobicContact CB-CG2 3.12Å; I155-I164 HydrophobicContact CD1-CD1 3.52Å; I155-I164 HydrophobicContact CG1-CD1 3.65Å; E160-I164 WeakPolarHBondContact O-CB 3.34Å; E160-I164 VanDerWaalsContact O-CG1 3.32Å; E160-I164 WeakPolarHBondContact O-CG1 3.17Å; E160-I164 PolarHBondContact O-N 3.08Å; A161-I164 PolarHBondContact O-N 3.39Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 2.92Å; I164-D166 VanDerWaalsContact C-N 3.32Å; I164-D166 PolarHBondContact O-N 3.02Å; I164-L167 WeakPolarHBondContact O-CB 3.47Å; I164-L167 PolarHBondContact O-N 2.96Å; I164-L167 VanDerWaalsContact O-N 3.17Å; I164-A169 HydrophobicContact CG2-CB 4.26Å; I164-V172 HydrophobicContact CG2-CG2 4.01Å
165Q94.9Very high96.7Very high123 Ų12364.8 Ų64.858%0.57536%0.358SS*.Hα-helixtrans-60.9-42.4175.7-174.2177.227.800111.7A161 K162 L167 G168 V172A161-Q165 WeakPolarHBondContact O-CB 3.27Å; A161-Q165 PolarHBondContact O-N 3.37Å; K162-Q165 PolarHBondContact O-N 3.47Å; Q165-L167 PolarHBondContact O-N 3.22Å; Q165-L167 VanDerWaalsContact O-N 3.14Å; Q165-G168 PolarHBondContact O-N 3.46Å; Q165-V172 HydrophobicContact CB-CG2 4.39Å
166D97.6Very high96.7Very high108 Ų10865 Ų6558%0.57836%0.362SS*.Hα-helixtrans-64.7-15.1178.7-66.4-24.1000112.9K162 R163 I164 G168K162-D166 VanDerWaalsContact NZ-CG 3.29Å; K162-D166 IonicContact NZ-OD1 3.54Å; K162-D166 PolarHBondContact NZ-OD1 3.32Å; K162-D166 IonicContact NZ-OD2 3.94Å; K162-D166 PolarHBondContact NZ-OD2 3.25Å; K162-D166 VanDerWaalsContact O-CG 3.22Å; K162-D166 PolarHBondContact O-N 2.94Å; R163-D166 PolarHBondContact O-N 2.89Å; I164-D166 VanDerWaalsContact C-N 3.32Å; I164-D166 PolarHBondContact O-N 3.02Å; D166-G168 VanDerWaalsContact C-N 3.29Å
167L97.2Very high96.8Very high51 Ų5162.3 Ų62.327%0.26735%0.354SS..THydrogen-bonded Turntrans-79.5-7172.4-63171.5000113.6S136 V139 K140 V143 R163 I164 Q165S136-L167 VanDerWaalsContact O-CD1 3.32Å; S136-L167 WeakPolarHBondContact O-CD1 3.37Å; V139-L167 HydrophobicContact CB-CD1 4.43Å; V139-L167 HydrophobicContact CG1-CB 4.17Å; V139-L167 HydrophobicContact CG1-CD1 4.27Å; K140-L167 HydrophobicContact CB-CD1 4.4Å; K140-L167 HydrophobicContact CB-CD2 4.33Å; K140-L167 HydrophobicContact CG-CD2 4.36Å; V143-L167 WeakPolarHBondContact CG1-O 3.3Å; R163-L167 WeakPolarHBondContact O-CG 3.49Å; R163-L167 PolarHBondContact O-N 3.42Å; I164-L167 WeakPolarHBondContact O-CB 3.47Å; I164-L167 PolarHBondContact O-N 2.96Å; I164-L167 VanDerWaalsContact O-N 3.17Å; Q165-L167 PolarHBondContact O-N 3.22Å; Q165-L167 VanDerWaalsContact O-N 3.14Å
168G97.7Very high96.9Very high43 Ų4364.5 Ų64.544%0.44336%0.363SS..THydrogen-bonded Turntrans97.614.2178.900000115.2Q165 D166 V170Q165-G168 PolarHBondContact O-N 3.46Å; D166-G168 VanDerWaalsContact C-N 3.29Å; G168-V170 PolarHBondContact O-N 3.08Å
169A97.5Very high96.9Very high11 Ų1161.8 Ų61.89%0.09134%0.344CS..  trans-59.1134.3169.300000110.4V139 V149 A151 I164 G171V139-A169 HydrophobicContact CG1-CB 4.05Å; V149-A169 CarbonylContact O-C 3.49Å; V149-A169 WeakPolarHBondContact O-CA 3.17Å; A151-A169 HydrophobicContact CB-CB 4.13Å; I164-A169 HydrophobicContact CG2-CB 4.26Å; A169-G171 PolarHBondContact O-N 3.47Å
170V97.9Very high96.9Very high86 Ų8661.3 Ų61.352%0.52134%0.337SS..SBendtrans-75.7-17-179.8-600000112.5F119 H148 V149 I150 G168F119-V170 HydrophobicContact CD1-CG2 4.15Å; F119-V170 HydrophobicContact CE1-CG2 4.31Å; H148-V170 HydrophobicContact CB-CG1 4.38Å; H148-V170 HydrophobicContact CB-CG2 4.19Å; V149-V170 VanDerWaalsContact O-CG2 3.3Å; V149-V170 WeakPolarHBondContact O-CG2 3.23Å; V149-V170 PolarHBondContact O-N 3.39Å; I150-V170 HydrophobicContact CG1-CG2 4.07Å; G168-V170 PolarHBondContact O-N 3.08Å
171G98Very high97Very high24 Ų2461.9 Ų61.925%0.24735%0.347CS..EExtended strand (participates in β ladder)trans-158.7161.7175.200000111.7I150 A151 A169I150-G171 CarbonylContact C-O 3.59Å; I150-G171 WeakPolarHBondContact CA-O 3.38Å; A151-G171 PolarHBondContact N-O 3.42Å; A169-G171 PolarHBondContact O-N 3.47Å
172V98Very high97.1Very high49 Ų4969.2 Ų69.230%0.29738%0.375SS..EExtended strand (participates in β ladder)trans-132.7124.1176-177.30000108.8A151 I155 A161 I164 Q165 V174A151-V172 CarbonylContact O-C 3.56Å; A151-V172 WeakPolarHBondContact O-CA 3.4Å; I155-V172 HydrophobicContact CD1-CG1 3.45Å; I155-V172 VanDerWaalsContact CD1-CG1 3.45Å; A161-V172 HydrophobicContact CB-CG1 4.34Å; I164-V172 HydrophobicContact CG2-CG2 4.01Å; Q165-V172 HydrophobicContact CB-CG2 4.39Å; V172-V174 HydrophobicContact CG1-CG2 4.08Å
173V98.3Very high97.1Very high27 Ų2766.9 Ų66.916%0.16437%0.366CS..EExtended strand (participates in β ladder)trans-103.1118.3176.8177.90000109.6R17 I36 I150 A151 E152R17-V173 HydrophobicContact CB-CG1 4.23Å; I36-V173 HydrophobicContact CD1-CG2 4.42Å; I150-V173 HydrophobicContact CG2-CG2 3.58Å; A151-V173 PolarHBondContact O-N 3.01Å; E152-V173 HydrophobicContact CB-CB 3.96Å; E152-V173 HydrophobicContact CG-CB 3.83Å; E152-V173 HydrophobicContact CG-CG1 3.96Å; E152-V173 WeakPolarHBondContact OE2-CB 3.36Å; E152-V173 WeakPolarHBondContact OE2-CG1 3.44Å
174V97.9Very high97.2Very high44 Ų4461.1 Ų61.127%0.26735%0.347SS..  trans-112.9112.9178.1-175.60000109.8I155 V172 A177 I178I155-V174 HydrophobicContact CB-CG2 4.46Å; I155-V174 HydrophobicContact CG2-CG2 4.12Å; V172-V174 HydrophobicContact CG1-CG2 4.08Å; V174-A177 HydrophobicContact CG1-CB 3.73Å; V174-I178 HydrophobicContact CB-CD1 3.81Å; V174-I178 HydrophobicContact CG1-CD1 3.64Å; V174-I178 HydrophobicContact CG1-CG1 3.84Å
175G97.1Very high97.3Very high34 Ų3463.1 Ų63.135%0.35137%0.365SS..  trans-99.5-88.9-177.900000113.1A177 I178 T179G175-A177 PolarHBondContact O-N 2.91Å; G175-A177 VanDerWaalsContact O-N 3.16Å; G175-I178 PolarHBondContact O-N 2.83Å; G175-T179 PolarHBondContact O-N 2.91Å; G175-T179 PolarHBondContact O-OG1 3.3Å
176G95Very high97.4Very high14 Ų1459.9 Ų59.914%0.14435%0.353CS..Hα-helixtrans-63.2-21.4-168.800000115.6I178 E183 I184G176-I178 PolarHBondContact O-N 3.18Å; G176-E183 WeakPolarHBondContact CA-OE2 3.41Å; G176-I184 WeakPolarHBondContact O-CG1 3.19Å
177A97Very high97.3Very high24 Ų2458.2 Ų58.220%0.19834%0.339CS..Hα-helixtrans-70.9-19.9174.200000113.7V174 G175 I184V174-A177 HydrophobicContact CG1-CB 3.73Å; G175-A177 PolarHBondContact O-N 2.91Å; G175-A177 VanDerWaalsContact O-N 3.16Å; A177-I184 VanDerWaalsContact O-CD1 3.26Å; A177-I184 WeakPolarHBondContact O-CD1 3.35Å
178I98Very high97.3Very high99 Ų9963 Ų6351%0.50836%0.357SS..Hα-helixtrans-115.3-48.4-177.3-61.3172.3000110.7V174 G175 G176V174-I178 HydrophobicContact CB-CD1 3.81Å; V174-I178 HydrophobicContact CG1-CD1 3.64Å; V174-I178 HydrophobicContact CG1-CG1 3.84Å; G175-I178 PolarHBondContact O-N 2.83Å; G176-I178 PolarHBondContact O-N 3.18Å
179T97.4Very high97.3Very high41 Ų4165 Ų6525%0.25236%0.358SS..Hα-helixtrans-102-3.5-164.163.60000114.6M4 G175 P181M4-T179 HydrophobicContact CG-CG2 3.44Å; M4-T179 VanDerWaalsContact CG-CG2 3.44Å; M4-T179 HydrophobicContact SD-CG2 4.07Å; G175-T179 PolarHBondContact O-N 2.91Å; G175-T179 PolarHBondContact O-OG1 3.3Å; T179-P181 WeakPolarHBondContact O-CD 3.49Å
180R96.6Very high97.2Very high122 Ų12269.7 Ų69.746%0.4638%0.377SS..  trans-120.877.4-176.1-61.3-173.9177.8-1631.3111.5K182 E183 I184R180-K182 PolarHBondContact O-N 2.91Å; R180-K182 VanDerWaalsContact O-N 3.08Å; R180-E183 HydrophobicContact CB-CB 4.11Å; R180-E183 HydrophobicContact CB-CG 4.05Å; R180-E183 WeakPolarHBondContact CD-OE1 3.38Å; R180-E183 VanDerWaalsContact CD-OE2 3.25Å; R180-E183 WeakPolarHBondContact CD-OE2 3.27Å; R180-E183 IonicContact CZ-OE1 3.63Å; R180-E183 IonicContact NE-OE1 3.76Å; R180-E183 IonicContact NH1-OE1 2.73Å; R180-E183 PolarHBondContact NH1-OE1 3.39Å; R180-E183 PolarHBondContact O-N 3.26Å; R180-I184 PolarHBondContact O-N 3.28Å; R180-I184 VanDerWaalsContact O-N 3.14Å
181P97.5Very high97Very high91 Ų9169 Ų6959%0.59138%0.381SS*.Hα-helixtrans-56.6-30.8-176.121.5-33.6000113.7T179 I184 A185T179-P181 WeakPolarHBondContact O-CD 3.49Å; P181-I184 PolarHBondContact O-N 3.02Å; P181-A185 WeakPolarHBondContact O-CB 3.27Å; P181-A185 PolarHBondContact O-N 3.43Å
182K97.9Very high96.9Very high175 Ų17575.2 Ų75.276%0.76141%0.408SS*.Hα-helixtrans-60.1-45.7172.7-177.6-178.9175.7-174.10112.1R180 T186R180-K182 PolarHBondContact O-N 2.91Å; R180-K182 VanDerWaalsContact O-N 3.08Å; K182-T186 WeakPolarHBondContact O-CB 3.48Å; K182-T186 PolarHBondContact O-N 3.04Å; K182-T186 PolarHBondContact O-OG1 3.1Å
183E96.8Very high96.7Very high66 Ų6679.4 Ų79.431%0.30843%0.426SS..Hα-helixtrans-69.1-39.5179.7-67.3176.7-171.400111.3G176 R180 T186 R187G176-E183 WeakPolarHBondContact CA-OE2 3.41Å; R180-E183 HydrophobicContact CB-CB 4.11Å; R180-E183 HydrophobicContact CB-CG 4.05Å; R180-E183 WeakPolarHBondContact CD-OE1 3.38Å; R180-E183 VanDerWaalsContact CD-OE2 3.25Å; R180-E183 WeakPolarHBondContact CD-OE2 3.27Å; R180-E183 IonicContact CZ-OE1 3.63Å; R180-E183 IonicContact NE-OE1 3.76Å; R180-E183 IonicContact NH1-OE1 2.73Å; R180-E183 PolarHBondContact NH1-OE1 3.39Å; R180-E183 PolarHBondContact O-N 3.26Å; E183-T186 PolarHBondContact O-N 2.65Å; E183-R187 PolarHBondContact O-N 2.94Å; E183-R187 VanDerWaalsContact O-N 3.13Å; E183-R187 PolarHBondContact O-NH1 3.3Å
184I97.6Very high96Very high46 Ų4684.1 Ų84.124%0.23645%0.45CS..Hα-helixtrans-58.3-54.8174.2-56.9168.5000109.7G176 A177 R180 P181 T186 R187 F188G176-I184 WeakPolarHBondContact O-CG1 3.19Å; A177-I184 VanDerWaalsContact O-CD1 3.26Å; A177-I184 WeakPolarHBondContact O-CD1 3.35Å; R180-I184 PolarHBondContact O-N 3.28Å; R180-I184 VanDerWaalsContact O-N 3.14Å; P181-I184 PolarHBondContact O-N 3.02Å; I184-T186 VanDerWaalsContact C-N 3.32Å; I184-T186 PolarHBondContact O-N 3.19Å; I184-R187 PolarHBondContact O-N 3.36Å; I184-R187 VanDerWaalsContact O-N 3.16Å; I184-F188 HydrophobicContact CG2-CD2 4.22Å; I184-F188 HydrophobicContact CG2-CE2 4.01Å; I184-F188 WeakPolarHBondContact O-CD2 3.47Å; I184-F188 PolarHBondContact O-N 3.01Å
185A97.9Very high94.5Very high48 Ų4891 Ų9140%0.39748%0.479SS..Hα-helixtrans-59.3-41.5-179.900000112.4P181 R187 F188 I189P181-A185 WeakPolarHBondContact O-CB 3.27Å; P181-A185 PolarHBondContact O-N 3.43Å; A185-R187 VanDerWaalsContact C-N 3.33Å; A185-R187 PolarHBondContact O-N 3.3Å; A185-F188 PolarHBondContact O-N 3.49Å; A185-I189 WeakPolarHBondContact O-CG1 3.35Å; A185-I189 PolarHBondContact O-N 3.36Å
186T97.3Very high92.6Very high55 Ų55102.2 Ų102.234%0.33752%0.522SS..Hα-helixtrans-58.5-42.5176.4-63.60000112.1K182 E183 I184 F188 I189 Q190K182-T186 WeakPolarHBondContact O-CB 3.48Å; K182-T186 PolarHBondContact O-N 3.04Å; K182-T186 PolarHBondContact O-OG1 3.1Å; E183-T186 PolarHBondContact O-N 2.65Å; I184-T186 VanDerWaalsContact C-N 3.32Å; I184-T186 PolarHBondContact O-N 3.19Å; T186-F188 VanDerWaalsContact C-N 3.34Å; T186-F188 PolarHBondContact O-N 2.82Å; T186-I189 PolarHBondContact O-N 3.43Å; T186-Q190 HydrophobicContact CG2-CG 4.11Å; T186-Q190 WeakPolarHBondContact O-CB 3.48Å; T186-Q190 WeakPolarHBondContact O-CG 3.37Å; T186-Q190 PolarHBondContact O-N 2.99Å
187R95.6Very high92.5Very high73 Ų73106.7 Ų106.728%0.27554%0.541SS..Hα-helixtrans-61.1-42.3177.6-72.7-171.9-65.7-85.83.5112.1E183 I184 A185 A191E183-R187 PolarHBondContact O-N 2.94Å; E183-R187 VanDerWaalsContact O-N 3.13Å; E183-R187 PolarHBondContact O-NH1 3.3Å; I184-R187 PolarHBondContact O-N 3.36Å; I184-R187 VanDerWaalsContact O-N 3.16Å; A185-R187 VanDerWaalsContact C-N 3.33Å; A185-R187 PolarHBondContact O-N 3.3Å; R187-A191 WeakPolarHBondContact O-CB 3.46Å; R187-A191 PolarHBondContact O-N 3.36Å; R187-A191 VanDerWaalsContact O-N 3.15Å
188F96.6Very high92.3Very high150 Ų150111 Ų11166%0.65856%0.559SS**Hα-helixtrans-63-45.2175-82.2-88.9000111.9I184 A185 T186 A191 L192I184-F188 HydrophobicContact CG2-CD2 4.22Å; I184-F188 HydrophobicContact CG2-CE2 4.01Å; I184-F188 WeakPolarHBondContact O-CD2 3.47Å; I184-F188 PolarHBondContact O-N 3.01Å; A185-F188 PolarHBondContact O-N 3.49Å; T186-F188 VanDerWaalsContact C-N 3.34Å; T186-F188 PolarHBondContact O-N 2.82Å; F188-A191 PolarHBondContact O-N 3.45Å; F188-L192 WeakPolarHBondContact O-CG 3.41Å; F188-L192 PolarHBondContact O-N 3.28Å
189I97.1Very high92Very high87 Ų87111.7 Ų111.745%0.44656%0.562SS.*Hα-helixtrans-65.6-45-179.2-66.8166.2000111.2A185 T186 A191 L192 M193A185-I189 WeakPolarHBondContact O-CG1 3.35Å; A185-I189 PolarHBondContact O-N 3.36Å; T186-I189 PolarHBondContact O-N 3.43Å; I189-A191 VanDerWaalsContact C-N 3.35Å; I189-A191 PolarHBondContact O-N 3.11Å; I189-L192 PolarHBondContact O-N 2.91Å; I189-L192 VanDerWaalsContact O-N 3.14Å; I189-M193 HydrophobicContact CG2-CE 3.61Å; I189-M193 HydrophobicContact CG2-CG 4.45Å; I189-M193 HydrophobicContact CG2-SD 3.94Å; I189-M193 WeakPolarHBondContact O-CG 3.48Å; I189-M193 PolarHBondContact O-N 2.88Å
190Q95.9Very high91.7Very high108 Ų108115.8 Ų115.851%0.50558%0.581SS.*Hα-helixtrans-62-41179.3-76.1176.7-27.100112.2T186 L192 M193 N194T186-Q190 HydrophobicContact CG2-CG 4.11Å; T186-Q190 WeakPolarHBondContact O-CB 3.48Å; T186-Q190 WeakPolarHBondContact O-CG 3.37Å; T186-Q190 PolarHBondContact O-N 2.99Å; Q190-L192 PolarHBondContact O-N 2.92Å; Q190-M193 PolarHBondContact O-N 2.95Å; Q190-N194 PolarHBondContact O-N 3.35Å; Q190-N194 VanDerWaalsContact O-N 3.09Å
191A94.7Very high91.4Very high72 Ų72115.4 Ų115.460%0.59559%0.588SS**Hα-helixtrans-61.2-27.3176.800000113.1R187 F188 I189R187-A191 WeakPolarHBondContact O-CB 3.46Å; R187-A191 PolarHBondContact O-N 3.36Å; R187-A191 VanDerWaalsContact O-N 3.15Å; F188-A191 PolarHBondContact O-N 3.45Å; I189-A191 VanDerWaalsContact C-N 3.35Å; I189-A191 PolarHBondContact O-N 3.11Å
192L95.3Very high90.9Very high155 Ų155117.1 Ų117.181%0.81259%0.588SS**Hα-helixtrans-85.3-18.9175.3-64.4171.6000113.5F188 I189 Q190F188-L192 WeakPolarHBondContact O-CG 3.41Å; F188-L192 PolarHBondContact O-N 3.28Å; I189-L192 PolarHBondContact O-N 2.91Å; I189-L192 VanDerWaalsContact O-N 3.14Å; Q190-L192 PolarHBondContact O-N 2.92Å
193M93.7Very high90.5Very high137 Ų137112.9 Ų112.968%0.67558%0.576SS**Hα-helixtrans-92.5-21.2-179.5-72.4-178.6171.500113.5I189 Q190 E195I189-M193 HydrophobicContact CG2-CE 3.61Å; I189-M193 HydrophobicContact CG2-CG 4.45Å; I189-M193 HydrophobicContact CG2-SD 3.94Å; I189-M193 WeakPolarHBondContact O-CG 3.48Å; I189-M193 PolarHBondContact O-N 2.88Å; Q190-M193 PolarHBondContact O-N 2.95Å; M193-E195 PolarHBondContact O-N 3.22Å; M193-E195 VanDerWaalsContact O-N 3.07Å
194N83.1Confident90Very high126 Ų126116.5 Ų116.567%0.67460%0.596SS**  trans-7597175.1-65.6-18000108.3Q190Q190-N194 PolarHBondContact O-N 3.35Å; Q190-N194 VanDerWaalsContact O-N 3.09Å
195E67.4Low89.3Confident188 Ų188122.4 Ų122.488%0.87963%0.626SS**  trans-65134.4162-64.1-179.8172.200108M193M193-E195 PolarHBondContact O-N 3.22Å; M193-E195 VanDerWaalsContact O-N 3.07Å
196E57.5Low88.6Confident270 Ų270129.2 Ų129.2100%1.26265%0.647SS**  trans-55.80176.7-73.5-177.3161.400113.3

Retrieved 196 of 196 residues in 495.6 ms (Link to these results)

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