A0A077Z6I0_TRITR Loading...

Single-stranded DNA-binding protein

AlphaFold DB , UniProt , Accession A0A077Z6I0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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
1M80.4Confident82.2Confident123 Ų12367.5 Ų67.561%0.60639%0.393SS*.  01410179.1-156-102.700106.8M3 I27 A28 F29M1-M3 HydrophobicContact CE-CE 4.23Å; M1-M3 HydrophobicContact SD-CE 3.41Å; M1-M3 WeakPolarHBondContact SD-CE 3.41Å; M1-I27 HydrophobicContact CE-CG2 4.38Å; M1-I27 HydrophobicContact CG-CG2 4.15Å; M1-I27 HydrophobicContact SD-CG2 4.48Å; M1-A28 WeakPolarHBondContact CA-O 3.46Å; M1-F29 HydrophobicContact CB-CD1 4.33Å; M1-F29 HydrophobicContact CB-CE1 4.42Å; M1-F29 HydrophobicContact CE-CD1 4.39Å; M1-F29 HydrophobicContact CE-CE1 3.31Å; M1-F29 HydrophobicContact CE-CZ 3.56Å; M1-F29 HydrophobicContact CG-CD1 4.15Å; M1-F29 HydrophobicContact CG-CE1 3.91Å; M1-F29 HydrophobicContact CG-CZ 4.46Å; M1-F29 HydrophobicContact SD-CE1 4.44Å
2A81.7Confident80.8Confident18 Ų1865.6 Ų65.615%0.14939%0.385CS..EExtended strand (participates in β ladder)trans-131143.2174.200000109.3A28 A33 L36A2-A28 PolarHBondContact N-O 3.49Å; A2-A28 PolarHBondContact O-N 2.84Å; A2-A33 HydrophobicContact CB-CB 3.8Å; A2-A33 WeakPolarHBondContact CB-O 3.28Å; A2-L36 HydrophobicContact CB-CB 4.22Å; A2-L36 HydrophobicContact CB-CD2 4.07Å; A2-L36 HydrophobicContact CB-CG 4.47Å
3M84.8Confident80Confident78 Ų7873.7 Ų73.738%0.38443%0.426SS..EExtended strand (participates in β ladder)trans-121.2141.5175.1-57.9-167.7-166.100109.5M1 V26 I27 W118M1-M3 HydrophobicContact CE-CE 4.23Å; M1-M3 HydrophobicContact SD-CE 3.41Å; M1-M3 WeakPolarHBondContact SD-CE 3.41Å; M3-V26 CarbonylContact C-O 3.5Å; M3-V26 VanDerWaalsContact CA-O 3.27Å; M3-V26 WeakPolarHBondContact CA-O 3.48Å; M3-I27 HydrophobicContact CE-CD1 4.06Å; M3-I27 HydrophobicContact CG-CD1 4.45Å; M3-I27 HydrophobicContact CG-CG1 4.1Å; M3-I27 HydrophobicContact CG-CG2 4.48Å; M3-I27 HydrophobicContact SD-CD1 4.08Å; M3-I27 HydrophobicContact SD-CG1 4.29Å; M3-W118 HydrophobicContact CE-CH2 3.48Å; M3-W118 VanDerWaalsContact CE-CH2 3.48Å; M3-W118 HydrophobicContact CE-CZ2 3.9Å; M3-W118 HydrophobicContact CE-CZ3 4.49Å; M3-W118 HydrophobicContact SD-CH2 3.81Å; M3-W118 HydrophobicContact SD-CZ2 3.54Å; M3-W118 VanDerWaalsContact SD-CZ2 3.54Å
4A85.1Confident79.1Confident40 Ų4075.3 Ų75.333%0.33145%0.452SS..EExtended strand (participates in β ladder)trans-142.3164174.500000110.2V26 L36A4-V26 PolarHBondContact N-O 3.5Å; A4-V26 PolarHBondContact O-N 3.37Å; A4-L36 HydrophobicContact CB-CD1 3.86Å; A4-L36 HydrophobicContact CB-CD2 3.84Å; A4-L36 HydrophobicContact CB-CG 3.97Å
5R83.4Confident77.9Confident92 Ų9272.5 Ų72.535%0.34744%0.441SS..EExtended strand (participates in β ladder)trans-116.3123.5174.1-163.1106.1173.1109.3-6.6108.7W23 L24 L110R5-W23 HydrophobicContact CG-CE3 3.57Å; R5-W23 HydrophobicContact CG-CZ3 4.08Å; R5-W23 VanDerWaalsContact CZ-CB 3.46Å; R5-W23 PolarHBondContact NH1-O 2.98Å; R5-L24 CarbonylContact C-O 3.56Å; R5-L24 WeakPolarHBondContact CA-O 3.5Å; R5-L110 HydrophobicContact CG-CD1 4.19Å
6L84.8Confident76.9Confident33 Ų3381.3 Ų81.317%0.17348%0.475CS..EExtended strand (participates in β ladder)trans-98.9133.3174.2-86.9172.6000110.2W23 L24 V26 V45 V47L6-W23 WeakPolarHBondContact O-CA 3.39Å; L6-L24 HydrophobicContact CB-CB 4.31Å; L6-L24 PolarHBondContact N-O 3.45Å; L6-L24 PolarHBondContact O-N 2.91Å; L6-V26 HydrophobicContact CB-CG2 4.29Å; L6-V26 HydrophobicContact CD1-CG2 3.61Å; L6-V26 HydrophobicContact CG-CG2 3.96Å; L6-V45 HydrophobicContact CD2-CB 4.48Å; L6-V45 HydrophobicContact CD2-CG2 3.94Å; L6-V47 HydrophobicContact CD1-CB 4.12Å; L6-V47 HydrophobicContact CD1-CG2 3.58Å
7A86.4Confident76.1Confident46 Ų4681.8 Ų81.838%0.3849%0.491SS..EExtended strand (participates in β ladder)trans-97.3123.7165.900000108.4T21 W23A7-T21 HydrophobicContact CB-CG2 3.7Å; A7-W23 HydrophobicContact CB-CD2 4.28Å; A7-W23 HydrophobicContact CB-CE3 3.9Å; A7-W23 HydrophobicContact CB-CH2 3.8Å; A7-W23 HydrophobicContact CB-CZ2 4.08Å; A7-W23 HydrophobicContact CB-CZ3 3.69Å
8V84.3Confident75.4Confident53 Ų5379.3 Ų79.332%0.32149%0.485SS..EExtended strand (participates in β ladder)trans-119.2120.6175.6-178.30000107.7L10 F22 L24V8-L10 HydrophobicContact CG1-CD2 3.97Å; V8-L10 PolarHBondContact O-N 2.83Å; V8-F22 PolarHBondContact N-O 2.9Å; V8-F22 PolarHBondContact O-N 3.37Å; V8-L24 HydrophobicContact CG2-CD1 3.72Å
9S80.6Confident74.9Confident76 Ų7681.6 Ų81.653%0.53149%0.49SS..EExtended strand (participates in β ladder)trans-72.6119.4170.7-64.60000108.8
10L80.6Confident74.9Confident75 Ų7580.4 Ų80.439%0.39349%0.485SS..EExtended strand (participates in β ladder)trans-105.8135.7171.7-61.8-178.4000108.8V8 C12 S20 F22V8-L10 HydrophobicContact CG1-CD2 3.97Å; V8-L10 PolarHBondContact O-N 2.83Å; L10-C12 PolarHBondContact O-N 2.91Å; L10-S20 PolarHBondContact N-O 2.81Å; L10-S20 PolarHBondContact O-N 3.3Å; L10-F22 HydrophobicContact CD1-CB 3.49Å; L10-F22 VanDerWaalsContact CD1-CB 3.49Å; L10-F22 HydrophobicContact CD1-CD1 4.25Å; L10-F22 HydrophobicContact CD1-CD2 4.24Å; L10-F22 HydrophobicContact CD1-CG 3.78Å; L10-F22 HydrophobicContact CG-CB 3.8Å
11P72.6Confident75Confident109 Ų10978.5 Ų78.571%0.70847%0.474SS*.EExtended strand (participates in β ladder)trans-61.7124.8168.226.2-31.1000108.1
12C64.5Low75Confident44 Ų4475.2 Ų75.230%0.29746%0.456SS..  trans-124.7107.4179.5-170.30000108.5L10 A14 A15 G18L10-C12 PolarHBondContact O-N 2.91Å; C12-A14 PolarHBondContact O-N 3.27Å; C12-A15 HydrophobicContact CB-CB 3.93Å; C12-A15 PolarHBondContact O-N 3.17Å; C12-A15 VanDerWaalsContact O-N 3.08Å; C12-G18 PolarHBondContact N-O 2.97Å
13N70.4Confident75Confident171 Ų17175.8 Ų75.891%0.91446%0.455SS*.THydrogen-bonded Turntrans-60.2-17.4-176.4-50.2-7000113.2
14A67.9Low75Confident96 Ų9673 Ų7379%0.79344%0.441SS*.THydrogen-bonded Turntrans-103.4-8.8-17800000114C12C12-A14 PolarHBondContact O-N 3.27Å
15A61Low75Confident34 Ų3471.7 Ų71.728%0.28143%0.431SS..SBendtrans-82.7137.6178.700000110C12 A17 G18C12-A15 HydrophobicContact CB-CB 3.93Å; C12-A15 PolarHBondContact O-N 3.17Å; C12-A15 VanDerWaalsContact O-N 3.08Å; A15-A17 PolarHBondContact O-N 3.34Å; A15-G18 WeakPolarHBondContact O-CA 3.43Å; A15-G18 PolarHBondContact O-N 3.33Å
16E61.4Low75.1Confident212 Ų21267.3 Ų67.399%0.99142%0.415SS*.THydrogen-bonded Turntrans-59.2-31.1-178.2-155.4178.6-165.100112.6
17A63.9Low75.2Confident91 Ų9166.1 Ų66.175%0.75241%0.409SS*.THydrogen-bonded Turntrans-90.32.717400000114.1A15 E19A15-A17 PolarHBondContact O-N 3.34Å; A17-E19 PolarHBondContact O-N 3.11Å
18G63.7Low75.2Confident37 Ų3763.9 Ų63.938%0.38139%0.391SS..SBendtrans69.7-8.4-177.700000115.7C12 A15C12-G18 PolarHBondContact N-O 2.97Å; A15-G18 WeakPolarHBondContact O-CA 3.43Å; A15-G18 PolarHBondContact O-N 3.33Å
19E65.6Low75.2Confident123 Ų12366.3 Ų66.358%0.57540%0.397SS*.EExtended strand (participates in β ladder)trans-124.8138.2-178.9-62.3-169.8176.600111.3A17A17-E19 PolarHBondContact O-N 3.11Å
20S75.1Confident75.5Confident56 Ų5665.1 Ų65.139%0.39240%0.397SS..EExtended strand (participates in β ladder)trans-124.7129.6172.7-173.60000110.4L10 F22L10-S20 PolarHBondContact N-O 2.81Å; L10-S20 PolarHBondContact O-N 3.3Å; S20-F22 PolarHBondContact O-N 3.37Å
21T76.9Confident75.8Confident41 Ų4170.4 Ų70.425%0.25242%0.417SS..EExtended strand (participates in β ladder)trans-81.5111.5177.2-46.90000110.6A7 W23A7-T21 HydrophobicContact CB-CG2 3.7Å; T21-W23 HydrophobicContact CG2-CD2 4.48Å; T21-W23 HydrophobicContact CG2-CZ2 4.11Å
22F80Confident76.4Confident55 Ų5568.1 Ų68.124%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-89.2132.4172-170.3-113.4000111V8 L10 S20 L24 Y67V8-F22 PolarHBondContact N-O 2.9Å; V8-F22 PolarHBondContact O-N 3.37Å; L10-F22 HydrophobicContact CD1-CB 3.49Å; L10-F22 VanDerWaalsContact CD1-CB 3.49Å; L10-F22 HydrophobicContact CD1-CD1 4.25Å; L10-F22 HydrophobicContact CD1-CD2 4.24Å; L10-F22 HydrophobicContact CD1-CG 3.78Å; L10-F22 HydrophobicContact CG-CB 3.8Å; S20-F22 PolarHBondContact O-N 3.37Å; F22-L24 HydrophobicContact CD1-CD1 3.99Å; F22-L24 HydrophobicContact CD1-CD2 4.24Å; F22-L24 HydrophobicContact CD1-CG 3.78Å; F22-L24 HydrophobicContact CE1-CD1 4.17Å; F22-L24 HydrophobicContact CE1-CD2 3.64Å; F22-L24 HydrophobicContact CE1-CG 3.71Å; F22-Y67 HydrophobicContact CE1-CD1 4.47Å; F22-Y67 HydrophobicContact CE1-CD2 4.25Å; F22-Y67 HydrophobicContact CE1-CG 4.07Å; F22-Y67 AromaticContact CE2-CD2 3.48Å; F22-Y67 HydrophobicContact CE2-CD2 3.48Å; F22-Y67 VanDerWaalsContact CE2-CD2 3.48Å; F22-Y67 AromaticContact CE2-CE2 3.44Å; F22-Y67 HydrophobicContact CE2-CE2 3.44Å; F22-Y67 VanDerWaalsContact CE2-CE2 3.44Å; F22-Y67 HydrophobicContact CE2-CG 4.09Å; F22-Y67 AromaticContact CZ-CD1 3.68Å; F22-Y67 HydrophobicContact CZ-CD1 3.68Å; F22-Y67 AromaticContact CZ-CD2 3.2Å; F22-Y67 HydrophobicContact CZ-CD2 3.2Å; F22-Y67 AromaticContact CZ-CE1 3.92Å; F22-Y67 HydrophobicContact CZ-CE1 3.92Å; F22-Y67 AromaticContact CZ-CE2 3.48Å; F22-Y67 HydrophobicContact CZ-CE2 3.48Å; F22-Y67 VanDerWaalsContact CZ-CE2 3.48Å; F22-Y67 AromaticContact CZ-CG 3.31Å; F22-Y67 HydrophobicContact CZ-CG 3.31Å; F22-Y67 AromaticContact CZ-CZ 3.83Å
23W82.7Confident77.3Confident30 Ų3066.4 Ų66.411%0.11439%0.386CS..EExtended strand (participates in β ladder)trans-110.2120.6-175.5-68.290.4000112R5 L6 A7 T21 F103 K106 L110R5-W23 HydrophobicContact CG-CE3 3.57Å; R5-W23 HydrophobicContact CG-CZ3 4.08Å; R5-W23 VanDerWaalsContact CZ-CB 3.46Å; R5-W23 PolarHBondContact NH1-O 2.98Å; L6-W23 WeakPolarHBondContact O-CA 3.39Å; A7-W23 HydrophobicContact CB-CD2 4.28Å; A7-W23 HydrophobicContact CB-CE3 3.9Å; A7-W23 HydrophobicContact CB-CH2 3.8Å; A7-W23 HydrophobicContact CB-CZ2 4.08Å; A7-W23 HydrophobicContact CB-CZ3 3.69Å; T21-W23 HydrophobicContact CG2-CD2 4.48Å; T21-W23 HydrophobicContact CG2-CZ2 4.11Å; W23-F103 AromaticContact CH2-CD2 3.66Å; W23-F103 HydrophobicContact CH2-CD2 3.66Å; W23-F103 AromaticContact CH2-CE2 3.72Å; W23-F103 HydrophobicContact CH2-CE2 3.72Å; W23-F103 HydrophobicContact CH2-CG 4.18Å; W23-F103 HydrophobicContact CH2-CZ 4.3Å; W23-F103 HydrophobicContact CZ3-CD2 4.21Å; W23-F103 AromaticContact CZ3-CE2 3.78Å; W23-F103 HydrophobicContact CZ3-CE2 3.78Å; W23-F103 HydrophobicContact CZ3-CZ 4.2Å; W23-K106 VanDerWaalsContact CE2-CD 3.47Å; W23-K106 HydrophobicContact CH2-CB 4.17Å; W23-K106 HydrophobicContact CZ2-CB 3.4Å; W23-K106 HydrophobicContact CZ2-CD 3.51Å; W23-K106 HydrophobicContact CZ2-CG 3.98Å; W23-L110 HydrophobicContact CD2-CD1 4Å; W23-L110 HydrophobicContact CE3-CD1 3.82Å; W23-L110 HydrophobicContact CH2-CD1 4.17Å; W23-L110 HydrophobicContact CZ2-CD1 4.42Å; W23-L110 HydrophobicContact CZ3-CD1 3.88Å
24L84.6Confident78Confident19 Ų1963.1 Ų63.110%0.09937%0.368CS..EExtended strand (participates in β ladder)trans-110.2130.5-179.3-73.7154.5000109.8R5 L6 V8 F22 M51 V69R5-L24 CarbonylContact C-O 3.56Å; R5-L24 WeakPolarHBondContact CA-O 3.5Å; L6-L24 HydrophobicContact CB-CB 4.31Å; L6-L24 PolarHBondContact N-O 3.45Å; L6-L24 PolarHBondContact O-N 2.91Å; V8-L24 HydrophobicContact CG2-CD1 3.72Å; F22-L24 HydrophobicContact CD1-CD1 3.99Å; F22-L24 HydrophobicContact CD1-CD2 4.24Å; F22-L24 HydrophobicContact CD1-CG 3.78Å; F22-L24 HydrophobicContact CE1-CD1 4.17Å; F22-L24 HydrophobicContact CE1-CD2 3.64Å; F22-L24 HydrophobicContact CE1-CG 3.71Å; L24-M51 HydrophobicContact CD2-CE 3.95Å; L24-V69 HydrophobicContact CD2-CG2 4.17Å
25G85.5Confident78.7Confident12 Ų1259.9 Ų59.912%0.12434%0.341CS..EExtended strand (participates in β ladder)trans-75139.9163.500000108.9Y67 Q68 V69G25-Y67 PolarHBondContact N-O 3.04Å; G25-Q68 CarbonylContact O-C 3.58Å; G25-Q68 VanDerWaalsContact O-CA 3.25Å; G25-Q68 WeakPolarHBondContact O-CA 3.27Å; G25-V69 PolarHBondContact O-N 2.9Å
26V85.8Confident79.8Confident1 Ų158.8 Ų58.81%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-123.2126.4173.7-178.80000107.8M3 A4 L6 L36 V47 V69 A71M3-V26 CarbonylContact C-O 3.5Å; M3-V26 VanDerWaalsContact CA-O 3.27Å; M3-V26 WeakPolarHBondContact CA-O 3.48Å; A4-V26 PolarHBondContact N-O 3.5Å; A4-V26 PolarHBondContact O-N 3.37Å; L6-V26 HydrophobicContact CB-CG2 4.29Å; L6-V26 HydrophobicContact CD1-CG2 3.61Å; L6-V26 HydrophobicContact CG-CG2 3.96Å; V26-L36 HydrophobicContact CG1-CD1 4.42Å; V26-L36 HydrophobicContact CG1-CD2 4.09Å; V26-V47 HydrophobicContact CG1-CG1 3.87Å; V26-V47 HydrophobicContact CG1-CG2 4.2Å; V26-V47 HydrophobicContact CG2-CG1 4.5Å; V26-V47 HydrophobicContact CG2-CG2 4.35Å; V26-V69 CarbonylContact C-O 3.39Å; V26-V69 WeakPolarHBondContact CA-O 3.22Å; V26-A71 HydrophobicContact CG1-CB 3.88Å
27I87Confident80.9Confident7 Ų752.2 Ų52.24%0.03631%0.313CS..EExtended strand (participates in β ladder)trans-117.9126.3172-55.9-166.7000108.2M1 M3 F29 Q68 V69 V70 A71 F121M1-I27 HydrophobicContact CE-CG2 4.38Å; M1-I27 HydrophobicContact CG-CG2 4.15Å; M1-I27 HydrophobicContact SD-CG2 4.48Å; M3-I27 HydrophobicContact CE-CD1 4.06Å; M3-I27 HydrophobicContact CG-CD1 4.45Å; M3-I27 HydrophobicContact CG-CG1 4.1Å; M3-I27 HydrophobicContact CG-CG2 4.48Å; M3-I27 HydrophobicContact SD-CD1 4.08Å; M3-I27 HydrophobicContact SD-CG1 4.29Å; I27-F29 HydrophobicContact CG2-CD2 4.32Å; I27-F29 HydrophobicContact CG2-CE2 3.6Å; I27-F29 HydrophobicContact CG2-CZ 3.75Å; I27-Q68 HydrophobicContact CD1-CG 4.41Å; I27-Q68 VanDerWaalsContact CD1-OE1 3.25Å; I27-Q68 HydrophobicContact CG1-CG 4.12Å; I27-V69 PolarHBondContact N-O 3.26Å; I27-V70 CarbonylContact O-C 3.57Å; I27-V70 WeakPolarHBondContact O-CA 3.4Å; I27-A71 PolarHBondContact O-N 3Å; I27-F121 HydrophobicContact CD1-CE1 4.26Å; I27-F121 HydrophobicContact CD1-CZ 4.36Å
28A85.2Confident81.9Confident0 Ų055.2 Ų55.20%031%0.309CS..EExtended strand (participates in β ladder)trans-122.1147.117700000111.3M1 A2 Q32 A33 L36 A71M1-A28 WeakPolarHBondContact CA-O 3.46Å; A2-A28 PolarHBondContact N-O 3.49Å; A2-A28 PolarHBondContact O-N 2.84Å; A28-Q32 HydrophobicContact CB-CB 4Å; A28-A33 HydrophobicContact CB-CB 4.48Å; A28-A33 WeakPolarHBondContact O-CB 3.44Å; A28-L36 HydrophobicContact CB-CB 4.19Å; A28-L36 HydrophobicContact CB-CD2 3.83Å; A28-A71 HydrophobicContact CB-CB 4.07Å
29F84.2Confident82.8Confident103 Ų10355.3 Ų55.345%0.45230%0.299SS..  trans-121.7157.5-179.4-63.9-88.4000112M1 I27 K31 Q32 A33 V70M1-F29 HydrophobicContact CB-CD1 4.33Å; M1-F29 HydrophobicContact CB-CE1 4.42Å; M1-F29 HydrophobicContact CE-CD1 4.39Å; M1-F29 HydrophobicContact CE-CE1 3.31Å; M1-F29 HydrophobicContact CE-CZ 3.56Å; M1-F29 HydrophobicContact CG-CD1 4.15Å; M1-F29 HydrophobicContact CG-CE1 3.91Å; M1-F29 HydrophobicContact CG-CZ 4.46Å; M1-F29 HydrophobicContact SD-CE1 4.44Å; I27-F29 HydrophobicContact CG2-CD2 4.32Å; I27-F29 HydrophobicContact CG2-CE2 3.6Å; I27-F29 HydrophobicContact CG2-CZ 3.75Å; F29-K31 PolarHBondContact O-N 3.38Å; F29-Q32 PolarHBondContact O-N 3.04Å; F29-Q32 VanDerWaalsContact O-N 3.16Å; F29-A33 PolarHBondContact O-N 3.16Å; F29-V70 HydrophobicContact CD2-CG1 4.36Å; F29-V70 HydrophobicContact CE2-CG1 4.16Å
30G87.5Confident83.4Confident52 Ų5256.9 Ų56.954%0.53631%0.306SS..Hα-helixtrans52.4-130.8177.800000113.1Q32 A33 D34G30-Q32 PolarHBondContact O-N 3.01Å; G30-A33 VanDerWaalsContact O-CB 3.22Å; G30-A33 WeakPolarHBondContact O-CB 3.41Å; G30-A33 PolarHBondContact O-N 2.79Å; G30-D34 PolarHBondContact O-N 2.97Å
31K86.5Confident83.5Confident185 Ų18558.6 Ų58.680%0.80431%0.307SS*.Hα-helixtrans-60.8-30.5-178.9-64.8-178.2179.5177.20113.7F29 A33 D34 A35F29-K31 PolarHBondContact O-N 3.38Å; K31-A33 VanDerWaalsContact C-N 3.3Å; K31-D34 WeakPolarHBondContact O-CB 3.22Å; K31-D34 PolarHBondContact O-N 2.91Å; K31-A35 PolarHBondContact O-N 3.38Å; K31-A35 VanDerWaalsContact O-N 3.11Å
32Q84.7Confident83.7Confident61 Ų6160.1 Ų60.129%0.28533%0.331SS..Hα-helixtrans-71.9-29.5177.5-54-57.5-18.500111.4A28 F29 G30 D34 A35 L36 D72A28-Q32 HydrophobicContact CB-CB 4Å; F29-Q32 PolarHBondContact O-N 3.04Å; F29-Q32 VanDerWaalsContact O-N 3.16Å; G30-Q32 PolarHBondContact O-N 3.01Å; Q32-D34 VanDerWaalsContact C-N 3.34Å; Q32-A35 PolarHBondContact O-N 3.42Å; Q32-L36 WeakPolarHBondContact O-CB 3.28Å; Q32-L36 PolarHBondContact O-N 3.49Å; Q32-D72 VanDerWaalsContact CD-O 3.31Å; Q32-D72 VanDerWaalsContact CG-O 3.3Å; Q32-D72 WeakPolarHBondContact CG-O 3.3Å; Q32-D72 PolarHBondContact NE2-O 3.18Å
33A84.2Confident83.8Confident9 Ų959.3 Ų59.37%0.07433%0.329CS..Hα-helixtrans-63.3-42.517300000111.3A2 A28 F29 G30 K31 L36 A37A2-A33 HydrophobicContact CB-CB 3.8Å; A2-A33 WeakPolarHBondContact CB-O 3.28Å; A28-A33 HydrophobicContact CB-CB 4.48Å; A28-A33 WeakPolarHBondContact O-CB 3.44Å; F29-A33 PolarHBondContact O-N 3.16Å; G30-A33 VanDerWaalsContact O-CB 3.22Å; G30-A33 WeakPolarHBondContact O-CB 3.41Å; G30-A33 PolarHBondContact O-N 2.79Å; K31-A33 VanDerWaalsContact C-N 3.3Å; A33-L36 PolarHBondContact O-N 3.19Å; A33-A37 VanDerWaalsContact O-CB 3.28Å; A33-A37 WeakPolarHBondContact O-CB 3.5Å; A33-A37 PolarHBondContact O-N 3.32Å
34D84.5Confident83.8Confident102 Ų10264.4 Ų64.455%0.54536%0.357SS..Hα-helixtrans-62.8-40.7173.5-93.3-75000112.3G30 K31 Q32 A37 K38G30-D34 PolarHBondContact O-N 2.97Å; K31-D34 WeakPolarHBondContact O-CB 3.22Å; K31-D34 PolarHBondContact O-N 2.91Å; Q32-D34 VanDerWaalsContact C-N 3.34Å; D34-A37 PolarHBondContact O-N 3.48Å; D34-K38 WeakPolarHBondContact O-CD 3.37Å; D34-K38 VanDerWaalsContact O-CG 3.26Å; D34-K38 WeakPolarHBondContact O-CG 3.26Å; D34-K38 PolarHBondContact O-N 3.32Å
35A83.5Confident83.8Confident27 Ų2764.9 Ų64.922%0.22336%0.361CS..Hα-helixtrans-62.6-45.8174.400000111.2K31 Q32 A37 K38 H39K31-A35 PolarHBondContact O-N 3.38Å; K31-A35 VanDerWaalsContact O-N 3.11Å; Q32-A35 PolarHBondContact O-N 3.42Å; A35-A37 PolarHBondContact O-N 3Å; A35-K38 PolarHBondContact O-N 3.49Å; A35-H39 PolarHBondContact O-CD2 3.07Å; A35-H39 PolarHBondContact O-NE2 3.28Å
36L84Confident83.9Confident12 Ų1267.8 Ų67.86%0.06338%0.379CS..Hα-helixtrans-63.5-41.3177.9-168.365.7000111.9A2 A4 V26 A28 Q32 A33 K38 H39 V74A2-L36 HydrophobicContact CB-CB 4.22Å; A2-L36 HydrophobicContact CB-CD2 4.07Å; A2-L36 HydrophobicContact CB-CG 4.47Å; A4-L36 HydrophobicContact CB-CD1 3.86Å; A4-L36 HydrophobicContact CB-CD2 3.84Å; A4-L36 HydrophobicContact CB-CG 3.97Å; V26-L36 HydrophobicContact CG1-CD1 4.42Å; V26-L36 HydrophobicContact CG1-CD2 4.09Å; A28-L36 HydrophobicContact CB-CB 4.19Å; A28-L36 HydrophobicContact CB-CD2 3.83Å; Q32-L36 WeakPolarHBondContact O-CB 3.28Å; Q32-L36 PolarHBondContact O-N 3.49Å; A33-L36 PolarHBondContact O-N 3.19Å; L36-K38 PolarHBondContact O-N 2.85Å; L36-H39 WeakPolarHBondContact O-CB 3.37Å; L36-H39 PolarHBondContact O-N 2.91Å; L36-H39 VanDerWaalsContact O-N 3.08Å; L36-V74 HydrophobicContact CB-CG2 4.47Å; L36-V74 HydrophobicContact CD1-CG1 4.02Å; L36-V74 HydrophobicContact CD1-CG2 4.34Å
37A83.8Confident84Confident74 Ų7469.2 Ų69.261%0.61239%0.388SS*.Hα-helixtrans-66.5-23.817900000113.4A33 D34 A35 H39A33-A37 VanDerWaalsContact O-CB 3.28Å; A33-A37 WeakPolarHBondContact O-CB 3.5Å; A33-A37 PolarHBondContact O-N 3.32Å; D34-A37 PolarHBondContact O-N 3.48Å; A35-A37 PolarHBondContact O-N 3Å; A37-H39 PolarHBondContact O-N 2.83Å
38K84.5Confident84Confident153 Ų15371.4 Ų71.467%0.66541%0.407SS*.THydrogen-bonded Turntrans-75.5-13174-71.9167.6-173.5178.30113.1D34 A35 L36D34-K38 WeakPolarHBondContact O-CD 3.37Å; D34-K38 VanDerWaalsContact O-CG 3.26Å; D34-K38 WeakPolarHBondContact O-CG 3.26Å; D34-K38 PolarHBondContact O-N 3.32Å; A35-K38 PolarHBondContact O-N 3.49Å; L36-K38 PolarHBondContact O-N 2.85Å
39H83.3Confident84.2Confident39 Ų3973.1 Ų73.118%0.18143%0.425CS..  trans-87141177.1-69.4-54.9000111.6A35 L36 A37 D43 V45 S76A35-H39 PolarHBondContact O-CD2 3.07Å; A35-H39 PolarHBondContact O-NE2 3.28Å; L36-H39 WeakPolarHBondContact O-CB 3.37Å; L36-H39 PolarHBondContact O-N 2.91Å; L36-H39 VanDerWaalsContact O-N 3.08Å; A37-H39 PolarHBondContact O-N 2.83Å; H39-D43 HydrophobicContact CB-CB 4.4Å; H39-D43 IonicContact ND1-OD2 3.68Å; H39-V45 VanDerWaalsContact CD2-CG1 3.42Å; H39-V45 WeakPolarHBondContact CD2-CG1 3.27Å; H39-S76 WeakPolarHBondContact CE1-CB 3.31Å; H39-S76 PolarHBondContact CE1-OG 2.83Å; H39-S76 VanDerWaalsContact CE1-OG 3.24Å
40Q77.6Confident84.5Confident156 Ų15673.2 Ų73.273%0.72943%0.43SS*.  trans-106.1161.7176.6-65.3-173.1-6.200111.1G42 D43Q40-G42 PolarHBondContact O-N 3.02Å; Q40-D43 PolarHBondContact N-OD2 2.89Å; Q40-D43 VanDerWaalsContact O-CB 3.29Å; Q40-D43 WeakPolarHBondContact O-CB 3.42Å; Q40-D43 PolarHBondContact O-N 3.34Å
41K78.4Confident84.5Confident93 Ų9375.8 Ų75.840%0.40443%0.43SS..THydrogen-bonded Turntrans-53.6126173.9173.9-179.3158.4175.90109.9F103 D104K41-F103 HydrophobicContact CD-CD1 3.69Å; K41-F103 HydrophobicContact CD-CE1 3.42Å; K41-F103 VanDerWaalsContact CD-CE1 3.42Å; K41-F103 HydrophobicContact CD-CG 4.43Å; K41-F103 HydrophobicContact CD-CZ 4.01Å; K41-F103 HydrophobicContact CG-CD1 4.25Å; K41-F103 HydrophobicContact CG-CE1 3.81Å; K41-F103 HydrophobicContact CG-CE2 4.31Å; K41-F103 HydrophobicContact CG-CZ 3.85Å; K41-D104 VanDerWaalsContact NZ-CG 3.29Å; K41-D104 IonicContact NZ-OD1 2.61Å; K41-D104 PolarHBondContact NZ-OD1 3.27Å; K41-D104 IonicContact NZ-OD2 3.47Å; K41-D104 PolarHBondContact NZ-OD2 3.37Å
42G81.3Confident84.4Confident73 Ų7371.4 Ų71.475%0.75341%0.412SS*.THydrogen-bonded Turntrans94-8.6-178.400000114.4Q40Q40-G42 PolarHBondContact O-N 3.02Å
43D80.6Confident84.3Confident38 Ų3872.5 Ų72.520%0.20342%0.419CS..  trans-67.1136.8168.9-77.3-26.8000110.3H39 Q40 V45 R78H39-D43 HydrophobicContact CB-CB 4.4Å; H39-D43 IonicContact ND1-OD2 3.68Å; Q40-D43 PolarHBondContact N-OD2 2.89Å; Q40-D43 VanDerWaalsContact O-CB 3.29Å; Q40-D43 WeakPolarHBondContact O-CB 3.42Å; Q40-D43 PolarHBondContact O-N 3.34Å; D43-V45 WeakPolarHBondContact O-CG2 3.38Å; D43-R78 IonicContact OD1-CZ 3.45Å; D43-R78 IonicContact OD1-NH1 2.81Å; D43-R78 PolarHBondContact OD1-NH1 3.1Å; D43-R78 IonicContact OD1-NH2 3.45Å; D43-R78 PolarHBondContact OD1-NH2 2.96Å; D43-R78 IonicContact OD2-CZ 3.54Å; D43-R78 IonicContact OD2-NH1 3.59Å; D43-R78 IonicContact OD2-NH2 2.74Å; D43-R78 PolarHBondContact OD2-NH2 2.93Å
44L82.3Confident83.9Confident136 Ų13674.7 Ų74.771%0.71243%0.43SS*.  trans-78.9124.7171.1-73.1169.8000109.5A77L44-A77 HydrophobicContact CB-CB 3.6Å; L44-A77 PolarHBondContact O-N 3.29Å
45V86.2Confident83.6Confident30 Ų3075 Ų7518%0.18243%0.428CS..EExtended strand (participates in β ladder)trans-134.5132.1-177-119.20000108.9L6 H39 D43 V74L6-V45 HydrophobicContact CD2-CB 4.48Å; L6-V45 HydrophobicContact CD2-CG2 3.94Å; H39-V45 VanDerWaalsContact CD2-CG1 3.42Å; H39-V45 WeakPolarHBondContact CD2-CG1 3.27Å; D43-V45 WeakPolarHBondContact O-CG2 3.38Å; V45-V74 HydrophobicContact CG1-CG1 3.68Å
46S86Confident83.3Confident72 Ų7275.4 Ų75.450%0.50342%0.424SS..EExtended strand (participates in β ladder)trans-97.3130166.8-176.50000108I75S46-I75 PolarHBondContact N-O 2.76Å; S46-I75 PolarHBondContact O-N 3.43Å
47V87.8Confident83.2Confident32 Ų3279.6 Ų79.619%0.19445%0.45CS..EExtended strand (participates in β ladder)trans-123.3130.5-178.9176.90000107.6L6 V26 V69 A71 V74L6-V47 HydrophobicContact CD1-CB 4.12Å; L6-V47 HydrophobicContact CD1-CG2 3.58Å; V26-V47 HydrophobicContact CG1-CG1 3.87Å; V26-V47 HydrophobicContact CG1-CG2 4.2Å; V26-V47 HydrophobicContact CG2-CG1 4.5Å; V26-V47 HydrophobicContact CG2-CG2 4.35Å; V47-V69 HydrophobicContact CG1-CG1 3.92Å; V47-A71 HydrophobicContact CG1-CB 3.53Å; V47-V74 HydrophobicContact CG2-CG1 4.31Å; V47-V74 HydrophobicContact CG2-CG2 4.33Å
48A88.5Confident82.6Confident52 Ų5276.8 Ų76.843%0.4343%0.429SS..EExtended strand (participates in β ladder)trans-122139.9170.900000109.9D72 S73A48-D72 PolarHBondContact O-N 2.87Å; A48-S73 PolarHBondContact N-O 3.24Å; A48-S73 PolarHBondContact O-N 3.43Å
49G89.7Confident82.1Confident36 Ų3679.2 Ų79.237%0.37144%0.442SS..EExtended strand (participates in β ladder)trans162.3-162.4176.800000111.4V70 D72G49-V70 CarbonylContact C-O 3.56Å; G49-V70 VanDerWaalsContact CA-O 3.28Å; G49-V70 WeakPolarHBondContact CA-O 3.07Å; G49-D72 WeakPolarHBondContact CA-OD2 3.22Å
50N88.9Confident81.9Confident105 Ų10585.1 Ų85.156%0.56148%0.475SS*.EExtended strand (participates in β ladder)trans-83.8123.7-173.9-162.6-19.5000111.7V69 V70N50-V69 CarbonylContact O-C 3.58Å; N50-V69 WeakPolarHBondContact O-CA 3.25Å; N50-V70 PolarHBondContact N-O 2.8Å; N50-V70 PolarHBondContact O-N 2.94Å
51M88.2Confident81.9Confident107 Ų10780.3 Ų80.353%0.52747%0.467SS..EExtended strand (participates in β ladder)trans-84.1126.6175.5-173.8175.2-71.200110.6L24 Q68 V69L24-M51 HydrophobicContact CD2-CE 3.95Å; M51-Q68 CarbonylContact C-O 3.5Å; M51-Q68 WeakPolarHBondContact CA-O 3.44Å; M51-V69 HydrophobicContact CE-CG2 4.18Å; M51-V69 HydrophobicContact CG-CG2 4.48Å
52Q83.9Confident81.9Confident93 Ų9377.6 Ų77.644%0.43547%0.466SS..EExtended strand (participates in β ladder)trans-113.5125.5175.7-63.3-172.2-43.500109.9Q68 V70Q52-Q68 PolarHBondContact N-O 3.08Å; Q52-Q68 PolarHBondContact O-N 2.91Å; Q52-V70 HydrophobicContact CG-CG2 4.38Å
53L83.5Confident81.7Confident84 Ų8478.4 Ų78.444%0.4446%0.456SS..EExtended strand (participates in β ladder)trans-91.7113.4167.2-178.864.7000107.9Q55 Q65 Y67L53-Q55 HydrophobicContact CD2-CG 4.34Å; L53-Q55 HydrophobicContact CG-CG 4.17Å; L53-Q65 HydrophobicContact CD1-CB 4.04Å; L53-Y67 HydrophobicContact CD1-CD1 3.7Å; L53-Y67 HydrophobicContact CD1-CE1 3.53Å; L53-Y67 HydrophobicContact CD1-CE2 4.42Å; L53-Y67 HydrophobicContact CD1-CG 4.23Å
54N76.1Confident81.5Confident55 Ų5580.9 Ų80.929%0.29447%0.467SS..EExtended strand (participates in β ladder)trans-99.1117.1176.7-139.48.2000108.4W56 Q65 G66 Y117N54-W56 HydrophobicContact CB-CE3 4.44Å; N54-W56 HydrophobicContact CB-CZ3 4.38Å; N54-W56 VanDerWaalsContact O-CZ3 3.27Å; N54-W56 WeakPolarHBondContact O-CZ3 3.4Å; N54-Q65 CarbonylContact O-C 3.53Å; N54-Q65 WeakPolarHBondContact O-CA 3.25Å; N54-G66 PolarHBondContact N-O 2.74Å; N54-G66 PolarHBondContact O-N 3.45Å; N54-Y117 HydrophobicContact CB-CE2 4.37Å
55Q77.7Confident81.2Confident108 Ų10878.8 Ų78.851%0.50545%0.453SS..EExtended strand (participates in β ladder)trans-106.9128.6175.2-62.1-170.6-28.400108.8L53 T63 Q64 Q65L53-Q55 HydrophobicContact CD2-CG 4.34Å; L53-Q55 HydrophobicContact CG-CG 4.17Å; Q55-T63 HydrophobicContact CB-CG2 4.16Å; Q55-Q64 CarbonylContact C-O 3.56Å; Q55-Q64 VanDerWaalsContact CA-O 3.27Å; Q55-Q64 WeakPolarHBondContact CA-O 3.07Å; Q55-Q65 HydrophobicContact CG-CB 4.35Å; Q55-Q65 HydrophobicContact CG-CG 3.92Å
56W78.2Confident80.9Confident35 Ų3577.8 Ų77.813%0.13345%0.449CS..EExtended strand (participates in β ladder)trans-134.8150.5174.665.294.9000109.9N54 G58 Q64 G66 Y117 A120N54-W56 HydrophobicContact CB-CE3 4.44Å; N54-W56 HydrophobicContact CB-CZ3 4.38Å; N54-W56 VanDerWaalsContact O-CZ3 3.27Å; N54-W56 WeakPolarHBondContact O-CZ3 3.4Å; W56-G58 PolarHBondContact O-N 2.85Å; W56-Q64 HydrophobicContact CD2-CB 4.08Å; W56-Q64 HydrophobicContact CG-CB 4.37Å; W56-Q64 HydrophobicContact CZ2-CB 3.82Å; W56-Q64 PolarHBondContact N-O 2.74Å; W56-Q64 WeakPolarHBondContact O-CA 3.35Å; W56-Q64 PolarHBondContact O-N 2.82Å; W56-G66 VanDerWaalsContact CZ3-N 3.28Å; W56-Y117 HydrophobicContact CE3-CD2 4.26Å; W56-Y117 HydrophobicContact CE3-CE2 4.44Å; W56-Y117 AromaticContact CH2-CD2 3.45Å; W56-Y117 HydrophobicContact CH2-CD2 3.45Å; W56-Y117 VanDerWaalsContact CH2-CD2 3.45Å; W56-Y117 HydrophobicContact CH2-CE2 4.04Å; W56-Y117 HydrophobicContact CZ2-CD2 4.08Å; W56-Y117 AromaticContact CZ3-CD2 3.52Å; W56-Y117 HydrophobicContact CZ3-CD2 3.52Å; W56-Y117 AromaticContact CZ3-CE2 3.69Å; W56-Y117 HydrophobicContact CZ3-CE2 3.69Å; W56-A120 HydrophobicContact CB-CB 3.84Å; W56-A120 HydrophobicContact CD2-CB 4.2Å; W56-A120 HydrophobicContact CG-CB 3.66Å
57T80.2Confident80.9Confident100 Ų10078.5 Ų78.561%0.61344%0.442SS*.EExtended strand (participates in β ladder)trans-79.2118.4173.4-500000108.1G61T57-G61 WeakPolarHBondContact CG2-O 3.41Å
58G72.9Confident80.7Confident16 Ų1677.3 Ų77.317%0.16543%0.434CS..  trans-66.216817300000111.4W56 D60 G61 G62W56-G58 PolarHBondContact O-N 2.85Å; G58-D60 PolarHBondContact O-N 2.79Å; G58-D60 VanDerWaalsContact O-N 3.1Å; G58-G61 PolarHBondContact O-N 2.97Å; G58-G62 PolarHBondContact N-O 2.73Å
59Q73Confident80.7Confident204 Ų20475.5 Ų75.595%0.95342%0.417SS*.THydrogen-bonded Turntrans-58.7-26.7-178.3-133.7163.919.200112.9G61Q59-G61 VanDerWaalsContact C-N 3.28Å; Q59-G61 PolarHBondContact O-N 2.83Å
60D78.3Confident80.7Confident162 Ų16275.4 Ų75.487%0.86641%0.41SS*.THydrogen-bonded Turntrans-85.77.5178.6-50.8-40.2000113.7G58 G62G58-D60 PolarHBondContact O-N 2.79Å; G58-D60 VanDerWaalsContact O-N 3.1Å; D60-G62 PolarHBondContact O-N 2.73Å
61G77.6Confident80.6Confident55 Ų5570.6 Ų70.657%0.56739%0.385SS*.SBendtrans79.1-5.8-177.700000114.9T57 G58 Q59T57-G61 WeakPolarHBondContact CG2-O 3.41Å; G58-G61 PolarHBondContact O-N 2.97Å; Q59-G61 VanDerWaalsContact C-N 3.28Å; Q59-G61 PolarHBondContact O-N 2.83Å
62G78.3Confident80.5Confident37 Ų3770.9 Ų70.938%0.38139%0.388SS..  trans-76.2138.817500000112.8G58 D60 Q64G58-G62 PolarHBondContact N-O 2.73Å; D60-G62 PolarHBondContact O-N 2.73Å; G62-Q64 PolarHBondContact O-N 3.48Å
63T77.3Confident80.5Confident89 Ų8968.3 Ų68.355%0.54638%0.381SS..EExtended strand (participates in β ladder)trans-70.1114.3172.7-51.60000110.1Q55Q55-T63 HydrophobicContact CB-CG2 4.16Å
64Q77.6Confident80.4Confident91 Ų9165 Ų6543%0.42536%0.364SS..EExtended strand (participates in β ladder)trans-93.2146.1170.4-63-64.4-1700109.5Q55 W56 G62Q55-Q64 CarbonylContact C-O 3.56Å; Q55-Q64 VanDerWaalsContact CA-O 3.27Å; Q55-Q64 WeakPolarHBondContact CA-O 3.07Å; W56-Q64 HydrophobicContact CD2-CB 4.08Å; W56-Q64 HydrophobicContact CG-CB 4.37Å; W56-Q64 HydrophobicContact CZ2-CB 3.82Å; W56-Q64 PolarHBondContact N-O 2.74Å; W56-Q64 WeakPolarHBondContact O-CA 3.35Å; W56-Q64 PolarHBondContact O-N 2.82Å; G62-Q64 PolarHBondContact O-N 3.48Å
65Q76Confident80.6Confident91 Ų9167.3 Ų67.343%0.42538%0.375SS..EExtended strand (participates in β ladder)trans-127.1133179.5-45.8-169.119.500109.7L53 N54 Q55L53-Q65 HydrophobicContact CD1-CB 4.04Å; N54-Q65 CarbonylContact O-C 3.53Å; N54-Q65 WeakPolarHBondContact O-CA 3.25Å; Q55-Q65 HydrophobicContact CG-CB 4.35Å; Q55-Q65 HydrophobicContact CG-CG 3.92Å
66G80.2Confident80.4Confident10 Ų1063.3 Ų63.310%0.10336%0.359CS..EExtended strand (participates in β ladder)trans-126.4131.4176.800000110.6N54 W56N54-G66 PolarHBondContact N-O 2.74Å; N54-G66 PolarHBondContact O-N 3.45Å; W56-G66 VanDerWaalsContact CZ3-N 3.28Å
67Y84.8Confident79.8Confident86 Ų8663.2 Ų63.234%0.33737%0.366SS..EExtended strand (participates in β ladder)trans-94.3128.3178-58.6-92.4000110.2F22 G25 L53F22-Y67 HydrophobicContact CE1-CD1 4.47Å; F22-Y67 HydrophobicContact CE1-CD2 4.25Å; F22-Y67 HydrophobicContact CE1-CG 4.07Å; F22-Y67 AromaticContact CE2-CD2 3.48Å; F22-Y67 HydrophobicContact CE2-CD2 3.48Å; F22-Y67 VanDerWaalsContact CE2-CD2 3.48Å; F22-Y67 AromaticContact CE2-CE2 3.44Å; F22-Y67 HydrophobicContact CE2-CE2 3.44Å; F22-Y67 VanDerWaalsContact CE2-CE2 3.44Å; F22-Y67 HydrophobicContact CE2-CG 4.09Å; F22-Y67 AromaticContact CZ-CD1 3.68Å; F22-Y67 HydrophobicContact CZ-CD1 3.68Å; F22-Y67 AromaticContact CZ-CD2 3.2Å; F22-Y67 HydrophobicContact CZ-CD2 3.2Å; F22-Y67 AromaticContact CZ-CE1 3.92Å; F22-Y67 HydrophobicContact CZ-CE1 3.92Å; F22-Y67 AromaticContact CZ-CE2 3.48Å; F22-Y67 HydrophobicContact CZ-CE2 3.48Å; F22-Y67 VanDerWaalsContact CZ-CE2 3.48Å; F22-Y67 AromaticContact CZ-CG 3.31Å; F22-Y67 HydrophobicContact CZ-CG 3.31Å; F22-Y67 AromaticContact CZ-CZ 3.83Å; G25-Y67 PolarHBondContact N-O 3.04Å; L53-Y67 HydrophobicContact CD1-CD1 3.7Å; L53-Y67 HydrophobicContact CD1-CE1 3.53Å; L53-Y67 HydrophobicContact CD1-CE2 4.42Å; L53-Y67 HydrophobicContact CD1-CG 4.23Å
68Q84.9Confident78.6Confident7 Ų766.2 Ų66.23%0.03337%0.366CS..EExtended strand (participates in β ladder)trans-131.3150.6178.8-172.2170.7-83.800110.8G25 I27 M51 Q52 Y117G25-Q68 CarbonylContact O-C 3.58Å; G25-Q68 VanDerWaalsContact O-CA 3.25Å; G25-Q68 WeakPolarHBondContact O-CA 3.27Å; I27-Q68 HydrophobicContact CD1-CG 4.41Å; I27-Q68 VanDerWaalsContact CD1-OE1 3.25Å; I27-Q68 HydrophobicContact CG1-CG 4.12Å; M51-Q68 CarbonylContact C-O 3.5Å; M51-Q68 WeakPolarHBondContact CA-O 3.44Å; Q52-Q68 PolarHBondContact N-O 3.08Å; Q52-Q68 PolarHBondContact O-N 2.91Å; Q68-Y117 PolarHBondContact OE1-OH 3.46Å
69V88.3Confident77.2Confident14 Ų1471.3 Ų71.39%0.08539%0.394CS..EExtended strand (participates in β ladder)trans-121.8123.6171.6-178.80000108.3L24 G25 V26 I27 V47 N50 M51 A71L24-V69 HydrophobicContact CD2-CG2 4.17Å; G25-V69 PolarHBondContact O-N 2.9Å; V26-V69 CarbonylContact C-O 3.39Å; V26-V69 WeakPolarHBondContact CA-O 3.22Å; I27-V69 PolarHBondContact N-O 3.26Å; V47-V69 HydrophobicContact CG1-CG1 3.92Å; N50-V69 CarbonylContact O-C 3.58Å; N50-V69 WeakPolarHBondContact O-CA 3.25Å; M51-V69 HydrophobicContact CE-CG2 4.18Å; M51-V69 HydrophobicContact CG-CG2 4.48Å; V69-A71 PolarHBondContact O-N 3.17Å
70V88.1Confident75.7Confident34 Ų3466.8 Ų66.821%0.20638%0.38CS..EExtended strand (participates in β ladder)trans-82.8105.1165.2-178.20000106.6I27 F29 G49 N50 Q52 D72I27-V70 CarbonylContact O-C 3.57Å; I27-V70 WeakPolarHBondContact O-CA 3.4Å; F29-V70 HydrophobicContact CD2-CG1 4.36Å; F29-V70 HydrophobicContact CE2-CG1 4.16Å; G49-V70 CarbonylContact C-O 3.56Å; G49-V70 VanDerWaalsContact CA-O 3.28Å; G49-V70 WeakPolarHBondContact CA-O 3.07Å; N50-V70 PolarHBondContact N-O 2.8Å; N50-V70 PolarHBondContact O-N 2.94Å; Q52-V70 HydrophobicContact CG-CG2 4.38Å; V70-D72 PolarHBondContact O-N 3.44Å
71A88.5Confident73.8Confident5 Ų570.3 Ų70.34%0.04138%0.381CS..EExtended strand (participates in β ladder)trans-76.3116.2-172.900000111.4V26 I27 A28 V47 V69 V74V26-A71 HydrophobicContact CG1-CB 3.88Å; I27-A71 PolarHBondContact O-N 3Å; A28-A71 HydrophobicContact CB-CB 4.07Å; V47-A71 HydrophobicContact CG1-CB 3.53Å; V69-A71 PolarHBondContact O-N 3.17Å; A71-V74 HydrophobicContact CB-CG2 3.81Å
72D84.6Confident71.8Confident112 Ų11273.4 Ų73.460%0.59939%0.391SS*.EExtended strand (participates in β ladder)trans-83.5-29167.7-64.5-49.6000111Q32 A48 G49 V70Q32-D72 VanDerWaalsContact CD-O 3.31Å; Q32-D72 VanDerWaalsContact CG-O 3.3Å; Q32-D72 WeakPolarHBondContact CG-O 3.3Å; Q32-D72 PolarHBondContact NE2-O 3.18Å; A48-D72 PolarHBondContact O-N 2.87Å; G49-D72 WeakPolarHBondContact CA-OD2 3.22Å; V70-D72 PolarHBondContact O-N 3.44Å
73S84Confident69.8Low40 Ų4075.5 Ų75.528%0.2841%0.413SS..EExtended strand (participates in β ladder)trans-145.5141.2173.364.20000112.3A48A48-S73 PolarHBondContact N-O 3.24Å; A48-S73 PolarHBondContact O-N 3.43Å
74V81.8Confident67.7Low14 Ų1474.8 Ų74.89%0.08542%0.423CS..EExtended strand (participates in β ladder)trans-124.2119174.7-178.20000108L36 V45 V47 A71L36-V74 HydrophobicContact CB-CG2 4.47Å; L36-V74 HydrophobicContact CD1-CG1 4.02Å; L36-V74 HydrophobicContact CD1-CG2 4.34Å; V45-V74 HydrophobicContact CG1-CG1 3.68Å; V47-V74 HydrophobicContact CG2-CG1 4.31Å; V47-V74 HydrophobicContact CG2-CG2 4.33Å; A71-V74 HydrophobicContact CB-CG2 3.81Å
75I80.5Confident65.9Low103 Ų10380.1 Ų80.153%0.52845%0.445SS..EExtended strand (participates in β ladder)trans-118.3124.7-177.7-57.8175.4000108.8S46S46-I75 PolarHBondContact N-O 2.76Å; S46-I75 PolarHBondContact O-N 3.43Å
76S73.9Confident64.2Low24 Ų2481.3 Ų81.317%0.16847%0.47CS..EExtended strand (participates in β ladder)trans-73.3134.8172.4-162.80000111.3H39 R78H39-S76 WeakPolarHBondContact CE1-CB 3.31Å; H39-S76 PolarHBondContact CE1-OG 2.83Å; H39-S76 VanDerWaalsContact CE1-OG 3.24Å; S76-R78 PolarHBondContact O-N 2.77Å; S76-R78 PolarHBondContact OG-N 3.26Å
77A65Low62.4Low34 Ų3483.9 Ų83.928%0.28150%0.497SS..G310 helixtrans-76.81.8171.900000113.3L44 T79 V80L44-A77 HydrophobicContact CB-CB 3.6Å; L44-A77 PolarHBondContact O-N 3.29Å; A77-T79 PolarHBondContact O-N 2.77Å; A77-V80 HydrophobicContact CB-CG2 4.25Å; A77-V80 WeakPolarHBondContact O-CG2 3.42Å; A77-V80 PolarHBondContact O-N 2.87Å
78R55.7Low60.8Low163 Ų16387 Ų8762%0.61552%0.515SS*.G310 helixtrans-54.2-18173.3-89.8-166.1-99-96-2113D43 S76D43-R78 IonicContact OD1-CZ 3.45Å; D43-R78 IonicContact OD1-NH1 2.81Å; D43-R78 PolarHBondContact OD1-NH1 3.1Å; D43-R78 IonicContact OD1-NH2 3.45Å; D43-R78 PolarHBondContact OD1-NH2 2.96Å; D43-R78 IonicContact OD2-CZ 3.54Å; D43-R78 IonicContact OD2-NH1 3.59Å; D43-R78 IonicContact OD2-NH2 2.74Å; D43-R78 PolarHBondContact OD2-NH2 2.93Å; S76-R78 PolarHBondContact O-N 2.77Å; S76-R78 PolarHBondContact OG-N 3.26Å
79T42.8Very low59.1Low123 Ų12397.8 Ų97.876%0.75556%0.555SS**G310 helixtrans-93-6-174.2-36.30000115A77A77-T79 PolarHBondContact O-N 2.77Å
80V41.4Very low57.2Low109 Ų10999.7 Ų99.766%0.66158%0.577SS**  trans-114.238-173.1-68.60000115.2A77 P82A77-V80 HydrophobicContact CB-CG2 4.25Å; A77-V80 WeakPolarHBondContact O-CG2 3.42Å; A77-V80 PolarHBondContact O-N 2.87Å; V80-P82 WeakPolarHBondContact O-CD 3.36Å
81R39.1Very low55.3Low235 Ų235104.6 Ų104.689%0.88760%0.598SS**  trans-95.386.2158.6-67.5-171.1-175-160.31.3109.8G83R81-G83 PolarHBondContact O-N 2.85Å; R81-G83 VanDerWaalsContact O-N 3.09Å
82P35.4Very low53.4Low120 Ų120107.2 Ų107.278%0.77962%0.62SS**  trans-69.7105.1164.430.8-31000107V80V80-P82 WeakPolarHBondContact O-CD 3.36Å
83G35.2Very low51.7Low81 Ų81104.3 Ų104.384%0.83561%0.611SS**SBendtrans43.2108.1163.900000118.5R81R81-G83 PolarHBondContact O-N 2.85Å; R81-G83 VanDerWaalsContact O-N 3.09Å
84G34.4Very low50.2Low74 Ų74108.7 Ų108.776%0.76363%0.627SS**  trans176.579168.100000116.9
85K38.4Very low49Very low204 Ų204111.5 Ų111.589%0.88764%0.642SS**  trans48.7122.8151.8-59.8-164.4177.8-176.30120.8G87K85-G87 PolarHBondContact O-N 2.79Å
86A41.9Very low47.6Very low115 Ų115109.1 Ų109.195%0.9564%0.638SS**SBendtrans-66.440.5171.600000115.8
87G42.7Very low46.7Very low65 Ų65114.7 Ų114.767%0.6766%0.661SS**  trans-106.1-12.2-168.900000118.2K85K85-G87 PolarHBondContact O-N 2.79Å
88Q49.4Very low46.4Very low152 Ų152119.2 Ų119.271%0.7168%0.676SS**  trans-119.144-170.2-76.9178.9-10.100113.8G90 A92Q88-G90 PolarHBondContact O-N 2.94Å; Q88-A92 WeakPolarHBondContact O-CB 3.41Å
89R49.2Very low46.3Very low233 Ų233119.4 Ų119.488%0.87968%0.677SS**THydrogen-bonded Turntrans-73.4-13.5179.6-151.2172.4-176.2175.9-0.2113.6
90G49.1Very low46.8Very low53 Ų53121.6 Ų121.655%0.54667%0.671SS.*THydrogen-bonded Turntrans-83.9-55.3-177.800000114.6Q88 A93Q88-G90 PolarHBondContact O-N 2.94Å; G90-A93 PolarHBondContact O-N 3.41Å
91Q48.7Very low47.8Very low137 Ų137119.3 Ų119.364%0.6466%0.664SS**Hα-helixtrans-75.2-32.8-178.1-79.6159.8-12.500113A93 E94 D95Q91-A93 PolarHBondContact O-N 2.81Å; Q91-E94 PolarHBondContact O-N 2.97Å; Q91-D95 PolarHBondContact O-N 2.76Å; Q91-D95 VanDerWaalsContact O-N 3.16Å
92A48.5Very low49Very low60 Ų60111.4 Ų111.450%0.49664%0.642SS.*Hα-helixtrans-67.7-20.5175.800000113.4Q88 A96Q88-A92 WeakPolarHBondContact O-CB 3.41Å; A92-A96 WeakPolarHBondContact O-CB 3.27Å; A92-A96 PolarHBondContact O-N 3.25Å; A92-A96 VanDerWaalsContact O-N 3.12Å
93A49.5Very low50Low51 Ų51108 Ų10842%0.42162%0.615SS.*Hα-helixtrans-76.3-45.1177.100000111.2G90 Q91 A96 E97G90-A93 PolarHBondContact O-N 3.41Å; Q91-A93 PolarHBondContact O-N 2.81Å; A93-A96 PolarHBondContact O-N 2.81Å; A93-E97 WeakPolarHBondContact O-CB 3.13Å; A93-E97 PolarHBondContact O-N 3.22Å
94E50.9Low51.1Low132 Ų132107.5 Ų107.562%0.61759%0.593SS**Hα-helixtrans-66.5-41.6177.6-66.7-177.5134.900111.8Q91 A96 E97 Q98Q91-E94 PolarHBondContact O-N 2.97Å; E94-A96 VanDerWaalsContact C-N 3.32Å; E94-A96 PolarHBondContact O-N 3.16Å; E94-E97 WeakPolarHBondContact O-CB 3.5Å; E94-E97 PolarHBondContact O-N 2.62Å; E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.36Å
95D56.9Low52.6Low73 Ų73112.5 Ų112.539%0.3959%0.589SS.*Hα-helixtrans-66.3-34.9174.7-71-29.7000112.4Q91 R99Q91-D95 PolarHBondContact O-N 2.76Å; Q91-D95 VanDerWaalsContact O-N 3.16Å; D95-R99 WeakPolarHBondContact O-CB 3.5Å; D95-R99 WeakPolarHBondContact O-CD 3.29Å; D95-R99 WeakPolarHBondContact O-CG 3.38Å; D95-R99 PolarHBondContact O-N 3.01Å
96A52.3Low53.3Low53 Ų53105.2 Ų105.244%0.43856%0.558SS.*Hα-helixtrans-71-36.8175.800000111.6A92 A93 E94 R100A92-A96 WeakPolarHBondContact O-CB 3.27Å; A92-A96 PolarHBondContact O-N 3.25Å; A92-A96 VanDerWaalsContact O-N 3.12Å; A93-A96 PolarHBondContact O-N 2.81Å; E94-A96 VanDerWaalsContact C-N 3.32Å; E94-A96 PolarHBondContact O-N 3.16Å; A96-R100 WeakPolarHBondContact O-CB 2.89Å; A96-R100 PolarHBondContact O-N 2.89Å
97E54.4Low53.9Low141 Ų141107 Ų10766%0.65954%0.54SS*.Hα-helixtrans-64.2-49.7174.8-160.790.8-144.900110.6A93 E94 R99 R100 A101A93-E97 WeakPolarHBondContact O-CB 3.13Å; A93-E97 PolarHBondContact O-N 3.22Å; E94-E97 WeakPolarHBondContact O-CB 3.5Å; E94-E97 PolarHBondContact O-N 2.62Å; E97-R99 PolarHBondContact O-N 3.25Å; E97-R100 PolarHBondContact O-N 3.2Å; E97-R100 VanDerWaalsContact O-N 3.14Å; E97-A101 WeakPolarHBondContact O-CB 3.32Å; E97-A101 PolarHBondContact O-N 3.42Å
98Q59Low54.5Low129 Ų129106.9 Ų106.960%0.60353%0.532SS*.Hα-helixtrans-62.1-44.8176.8-75.2177.32.400111.2E94 R100 A101 T102E94-Q98 WeakPolarHBondContact O-CG 3.43Å; E94-Q98 PolarHBondContact O-N 3.36Å; Q98-R100 VanDerWaalsContact C-N 3.29Å; Q98-R100 PolarHBondContact O-N 3.38Å; Q98-A101 PolarHBondContact O-N 3.09Å; Q98-T102 PolarHBondContact O-N 2.83Å; Q98-T102 PolarHBondContact O-OG1 2.87Å
99R54.3Low54.4Low168 Ų168104.5 Ų104.563%0.63452%0.521SS*.Hα-helixtrans-62.1-35.6174.1-76.8173.7175.8122.52.5112.6D95 E97 F103D95-R99 WeakPolarHBondContact O-CB 3.5Å; D95-R99 WeakPolarHBondContact O-CD 3.29Å; D95-R99 WeakPolarHBondContact O-CG 3.38Å; D95-R99 PolarHBondContact O-N 3.01Å; E97-R99 PolarHBondContact O-N 3.25Å; R99-F103 VanDerWaalsContact O-CB 3.27Å; R99-F103 WeakPolarHBondContact O-CB 3.09Å; R99-F103 PolarHBondContact O-N 3.27Å
100R51.9Low54.5Low168 Ų16894.2 Ų94.263%0.63448%0.484SS*.Hα-helixtrans-72.2-38177.9-176.8162.2157.6152.7-11111.5A96 E97 Q98 F103 D104A96-R100 WeakPolarHBondContact O-CB 2.89Å; A96-R100 PolarHBondContact O-N 2.89Å; E97-R100 PolarHBondContact O-N 3.2Å; E97-R100 VanDerWaalsContact O-N 3.14Å; Q98-R100 VanDerWaalsContact C-N 3.29Å; Q98-R100 PolarHBondContact O-N 3.38Å; R100-F103 CarbonylContact O-C 3.58Å; R100-F103 WeakPolarHBondContact O-CB 3.46Å; R100-F103 PolarHBondContact O-N 3.26Å; R100-D104 PolarHBondContact O-N 2.92Å
101A63.1Low54.7Low61 Ų6194.8 Ų94.850%0.50448%0.479SS..Hα-helixtrans-66-42.9171.300000111.9E97 Q98 F103 D104 R105E97-A101 WeakPolarHBondContact O-CB 3.32Å; E97-A101 PolarHBondContact O-N 3.42Å; Q98-A101 PolarHBondContact O-N 3.09Å; A101-F103 VanDerWaalsContact C-N 3.3Å; A101-F103 PolarHBondContact O-N 3.25Å; A101-D104 PolarHBondContact O-N 2.7Å; A101-R105 WeakPolarHBondContact O-CB 3.5Å; A101-R105 PolarHBondContact O-N 3.43Å
102T63Low55Low69 Ų6993.4 Ų93.442%0.42348%0.48SS..Hα-helixtrans-62.2-40.7171.9-47.80000110.8Q98 K106Q98-T102 PolarHBondContact O-N 2.83Å; Q98-T102 PolarHBondContact O-OG1 2.87Å; T102-K106 WeakPolarHBondContact O-CB 3.44Å; T102-K106 WeakPolarHBondContact O-CG 3.47Å; T102-K106 PolarHBondContact O-N 3.42Å
103F56.4Low55Low49 Ų4994.8 Ų94.822%0.21548%0.477CS..Hα-helixtrans-64-42.6175.3-166.6-70000111.3W23 K41 R99 R100 A101 K106 R107W23-F103 AromaticContact CH2-CD2 3.66Å; W23-F103 HydrophobicContact CH2-CD2 3.66Å; W23-F103 AromaticContact CH2-CE2 3.72Å; W23-F103 HydrophobicContact CH2-CE2 3.72Å; W23-F103 HydrophobicContact CH2-CG 4.18Å; W23-F103 HydrophobicContact CH2-CZ 4.3Å; W23-F103 HydrophobicContact CZ3-CD2 4.21Å; W23-F103 AromaticContact CZ3-CE2 3.78Å; W23-F103 HydrophobicContact CZ3-CE2 3.78Å; W23-F103 HydrophobicContact CZ3-CZ 4.2Å; K41-F103 HydrophobicContact CD-CD1 3.69Å; K41-F103 HydrophobicContact CD-CE1 3.42Å; K41-F103 VanDerWaalsContact CD-CE1 3.42Å; K41-F103 HydrophobicContact CD-CG 4.43Å; K41-F103 HydrophobicContact CD-CZ 4.01Å; K41-F103 HydrophobicContact CG-CD1 4.25Å; K41-F103 HydrophobicContact CG-CE1 3.81Å; K41-F103 HydrophobicContact CG-CE2 4.31Å; K41-F103 HydrophobicContact CG-CZ 3.85Å; R99-F103 VanDerWaalsContact O-CB 3.27Å; R99-F103 WeakPolarHBondContact O-CB 3.09Å; R99-F103 PolarHBondContact O-N 3.27Å; R100-F103 CarbonylContact O-C 3.58Å; R100-F103 WeakPolarHBondContact O-CB 3.46Å; R100-F103 PolarHBondContact O-N 3.26Å; A101-F103 VanDerWaalsContact C-N 3.3Å; A101-F103 PolarHBondContact O-N 3.25Å; F103-K106 CarbonylContact O-C 3.57Å; F103-K106 PolarHBondContact O-N 2.61Å; F103-R107 HydrophobicContact CD1-CB 4.3Å; F103-R107 HydrophobicContact CE1-CB 4.43Å; F103-R107 WeakPolarHBondContact O-CA 3.27Å; F103-R107 WeakPolarHBondContact O-CB 3.14Å; F103-R107 PolarHBondContact O-N 3.45Å
104D59.5Low54.9Low71 Ų7197.3 Ų97.338%0.3848%0.48SS..Hα-helixtrans-68.8-37.9179.5-79.3-36.1000112.4K41 R100 A101 R107 A108K41-D104 VanDerWaalsContact NZ-CG 3.29Å; K41-D104 IonicContact NZ-OD1 2.61Å; K41-D104 PolarHBondContact NZ-OD1 3.27Å; K41-D104 IonicContact NZ-OD2 3.47Å; K41-D104 PolarHBondContact NZ-OD2 3.37Å; R100-D104 PolarHBondContact O-N 2.92Å; A101-D104 PolarHBondContact O-N 2.7Å; D104-R107 WeakPolarHBondContact O-CB 3.43Å; D104-R107 PolarHBondContact O-N 2.74Å; D104-A108 PolarHBondContact O-N 3.04Å
105R65.1Low55Low178 Ų17897.3 Ų97.367%0.67248%0.482SS*.Hα-helixtrans-63.1-48.3171.1178.9176.1168.3169.2-1.3111.6A101 R107 A108 E109A101-R105 WeakPolarHBondContact O-CB 3.5Å; A101-R105 PolarHBondContact O-N 3.43Å; R105-R107 PolarHBondContact O-N 3.47Å; R105-A108 WeakPolarHBondContact O-CB 3.48Å; R105-A108 PolarHBondContact O-N 3.12Å; R105-A108 VanDerWaalsContact O-N 3.12Å; R105-E109 IonicContact NE-OE1 3.74Å; R105-E109 PolarHBondContact O-N 2.97Å
106K53.7Low54.8Low52 Ų5296 Ų9623%0.22648%0.481CS..Hα-helixtrans-66.9-27.9176.3-71-146.7176.9-154.20111.7W23 T102 F103 E109 L110W23-K106 VanDerWaalsContact CE2-CD 3.47Å; W23-K106 HydrophobicContact CH2-CB 4.17Å; W23-K106 HydrophobicContact CZ2-CB 3.4Å; W23-K106 HydrophobicContact CZ2-CD 3.51Å; W23-K106 HydrophobicContact CZ2-CG 3.98Å; T102-K106 WeakPolarHBondContact O-CB 3.44Å; T102-K106 WeakPolarHBondContact O-CG 3.47Å; T102-K106 PolarHBondContact O-N 3.42Å; F103-K106 CarbonylContact O-C 3.57Å; F103-K106 PolarHBondContact O-N 2.61Å; K106-E109 PolarHBondContact O-N 3.38Å; K106-L110 WeakPolarHBondContact O-CA 3Å; K106-L110 WeakPolarHBondContact O-CB 3.35Å; K106-L110 WeakPolarHBondContact O-CD1 2.93Å; K106-L110 WeakPolarHBondContact O-CG 3.4Å; K106-L110 PolarHBondContact O-N 2.83Å
107R54.9Low54.8Low152 Ų15295.1 Ų95.157%0.57447%0.467SS*.Hα-helixtrans-66.4-36.5171.4179.2-179.1157.9169.5-4.5111.5F103 D104 R105 L110 S111F103-R107 HydrophobicContact CD1-CB 4.3Å; F103-R107 HydrophobicContact CE1-CB 4.43Å; F103-R107 WeakPolarHBondContact O-CA 3.27Å; F103-R107 WeakPolarHBondContact O-CB 3.14Å; F103-R107 PolarHBondContact O-N 3.45Å; D104-R107 WeakPolarHBondContact O-CB 3.43Å; D104-R107 PolarHBondContact O-N 2.74Å; R105-R107 PolarHBondContact O-N 3.47Å; R107-L110 CarbonylContact O-C 3.59Å; R107-L110 PolarHBondContact O-N 2.78Å; R107-S111 PolarHBondContact O-N 2.82Å
108A54.3Low54.4Low63 Ų6393 Ų9352%0.52145%0.453SS..Hα-helixtrans-68.7-45.2173.800000111.8D104 R105 L110 S111D104-A108 PolarHBondContact O-N 3.04Å; R105-A108 WeakPolarHBondContact O-CB 3.48Å; R105-A108 PolarHBondContact O-N 3.12Å; R105-A108 VanDerWaalsContact O-N 3.12Å; A108-L110 VanDerWaalsContact C-N 3.27Å; A108-L110 PolarHBondContact O-N 3.35Å; A108-S111 PolarHBondContact O-N 3.28Å; A108-S111 VanDerWaalsContact O-N 3.16Å
109E48.6Very low54.2Low101 Ų10194.3 Ų94.347%0.47246%0.459SS..Hα-helixtrans-62.1-37.5172.2-70.7174179.900111.5R105 K106 V112 M113R105-E109 IonicContact NE-OE1 3.74Å; R105-E109 PolarHBondContact O-N 2.97Å; K106-E109 PolarHBondContact O-N 3.38Å; E109-V112 PolarHBondContact O-N 3.3Å; E109-M113 PolarHBondContact O-N 2.8Å
110L50.7Low54.2Low18 Ų1888.2 Ų88.29%0.09444%0.444CS..Hα-helixtrans-68.2-30.2175.1-77.7167.5000112.1R5 W23 K106 R107 A108 V112 M113 E114R5-L110 HydrophobicContact CG-CD1 4.19Å; W23-L110 HydrophobicContact CD2-CD1 4Å; W23-L110 HydrophobicContact CE3-CD1 3.82Å; W23-L110 HydrophobicContact CH2-CD1 4.17Å; W23-L110 HydrophobicContact CZ2-CD1 4.42Å; W23-L110 HydrophobicContact CZ3-CD1 3.88Å; K106-L110 WeakPolarHBondContact O-CA 3Å; K106-L110 WeakPolarHBondContact O-CB 3.35Å; K106-L110 WeakPolarHBondContact O-CD1 2.93Å; K106-L110 WeakPolarHBondContact O-CG 3.4Å; K106-L110 PolarHBondContact O-N 2.83Å; R107-L110 CarbonylContact O-C 3.59Å; R107-L110 PolarHBondContact O-N 2.78Å; A108-L110 VanDerWaalsContact C-N 3.27Å; A108-L110 PolarHBondContact O-N 3.35Å; L110-V112 VanDerWaalsContact C-N 3.26Å; L110-V112 PolarHBondContact O-N 3.23Å; L110-M113 HydrophobicContact CD2-CE 4.3Å; L110-M113 CarbonylContact O-C 3.6Å; L110-M113 PolarHBondContact O-N 3.47Å; L110-E114 WeakPolarHBondContact O-CA 3.33Å; L110-E114 WeakPolarHBondContact O-CB 3.09Å; L110-E114 PolarHBondContact O-N 2.83Å
111S53.1Low53.8Low64 Ų6481.1 Ų81.145%0.44842%0.418SS..Hα-helixtrans-63.9-34.5176.7-164.10000111.9R107 A108 M115R107-S111 PolarHBondContact O-N 2.82Å; A108-S111 PolarHBondContact O-N 3.28Å; A108-S111 VanDerWaalsContact O-N 3.16Å; S111-M115 WeakPolarHBondContact O-CB 3.48Å; S111-M115 WeakPolarHBondContact O-CG 3.46Å; S111-M115 PolarHBondContact O-N 3.37Å
112V55.4Low53.4Low108 Ų10881.1 Ų81.166%0.65541%0.414SS*.Hα-helixtrans-72.5-41.9175.7-179.40000110.5E109 L110 A116E109-V112 PolarHBondContact O-N 3.3Å; L110-V112 VanDerWaalsContact C-N 3.26Å; L110-V112 PolarHBondContact O-N 3.23Å; V112-A116 PolarHBondContact O-N 2.87Å
113M48.6Very low52.9Low90 Ų9082 Ų8244%0.44342%0.421SS..Hα-helixtrans-75.6-27.4178.1-162145.359.900113E109 L110 A116 Y117E109-M113 PolarHBondContact O-N 2.8Å; L110-M113 HydrophobicContact CD2-CE 4.3Å; L110-M113 CarbonylContact O-C 3.6Å; L110-M113 PolarHBondContact O-N 3.47Å; M113-A116 PolarHBondContact O-N 2.91Å; M113-Y117 WeakPolarHBondContact O-CB 3.13Å; M113-Y117 PolarHBondContact O-N 3.26Å
114E48Very low52.4Low104 Ų10483 Ų8349%0.48643%0.431SS..Hα-helixtrans-73.9-38.1175.1-179.7171.4-166.700110L110 Y117 W118L110-E114 WeakPolarHBondContact O-CA 3.33Å; L110-E114 WeakPolarHBondContact O-CB 3.09Å; L110-E114 PolarHBondContact O-N 2.83Å; E114-Y117 PolarHBondContact O-N 3.14Å; E114-W118 VanDerWaalsContact CG-CD1 3.47Å; E114-W118 VanDerWaalsContact O-CB 3.25Å; E114-W118 WeakPolarHBondContact O-CB 3.21Å; E114-W118 VanDerWaalsContact O-CD1 3.25Å; E114-W118 PolarHBondContact O-N 2.81Å
115M50.9Low51.5Low132 Ų13280.8 Ų80.865%0.6542%0.42SS*.Hα-helixtrans-60.6-46.3167.2-81.6175.261.100111.6S111 Q119S111-M115 WeakPolarHBondContact O-CB 3.48Å; S111-M115 WeakPolarHBondContact O-CG 3.46Å; S111-M115 PolarHBondContact O-N 3.37Å; M115-Q119 VanDerWaalsContact O-CB 3.22Å; M115-Q119 WeakPolarHBondContact O-CB 3.45Å; M115-Q119 WeakPolarHBondContact O-CG 3.08Å; M115-Q119 PolarHBondContact O-N 2.83Å
116A54.2Low50.5Low45 Ų4577.6 Ų77.637%0.37242%0.416SS..Hα-helixtrans-66.3-39.1177.700000112.4V112 M113 A120V112-A116 PolarHBondContact O-N 2.87Å; M113-A116 PolarHBondContact O-N 2.91Å; A116-A120 WeakPolarHBondContact O-CB 3.37Å; A116-A120 PolarHBondContact O-N 2.96Å
117Y51.2Low50.1Low34 Ų3485.6 Ų85.613%0.13345%0.445CS..Hα-helixtrans-67.3-46.8177.7-172.3-102000111.7N54 W56 Q68 M113 E114 A120 F121N54-Y117 HydrophobicContact CB-CE2 4.37Å; W56-Y117 HydrophobicContact CE3-CD2 4.26Å; W56-Y117 HydrophobicContact CE3-CE2 4.44Å; W56-Y117 AromaticContact CH2-CD2 3.45Å; W56-Y117 HydrophobicContact CH2-CD2 3.45Å; W56-Y117 VanDerWaalsContact CH2-CD2 3.45Å; W56-Y117 HydrophobicContact CH2-CE2 4.04Å; W56-Y117 HydrophobicContact CZ2-CD2 4.08Å; W56-Y117 AromaticContact CZ3-CD2 3.52Å; W56-Y117 HydrophobicContact CZ3-CD2 3.52Å; W56-Y117 AromaticContact CZ3-CE2 3.69Å; W56-Y117 HydrophobicContact CZ3-CE2 3.69Å; Q68-Y117 PolarHBondContact OE1-OH 3.46Å; M113-Y117 WeakPolarHBondContact O-CB 3.13Å; M113-Y117 PolarHBondContact O-N 3.26Å; E114-Y117 PolarHBondContact O-N 3.14Å; Y117-A120 PolarHBondContact O-N 3.01Å; Y117-F121 HydrophobicContact CE1-CD1 4.39Å; Y117-F121 HydrophobicContact CE1-CG 4.41Å; Y117-F121 WeakPolarHBondContact O-CB 3.41Å; Y117-F121 PolarHBondContact O-N 2.85Å
118W46.8Very low49.2Very low97 Ų9784 Ų8437%0.36745%0.447SS..Hα-helixtrans-67.8-35.7176.7-85.7109.1000112.7M3 E114 A120 F121 S122M3-W118 HydrophobicContact CE-CH2 3.48Å; M3-W118 VanDerWaalsContact CE-CH2 3.48Å; M3-W118 HydrophobicContact CE-CZ2 3.9Å; M3-W118 HydrophobicContact CE-CZ3 4.49Å; M3-W118 HydrophobicContact SD-CH2 3.81Å; M3-W118 HydrophobicContact SD-CZ2 3.54Å; M3-W118 VanDerWaalsContact SD-CZ2 3.54Å; E114-W118 VanDerWaalsContact CG-CD1 3.47Å; E114-W118 VanDerWaalsContact O-CB 3.25Å; E114-W118 WeakPolarHBondContact O-CB 3.21Å; E114-W118 VanDerWaalsContact O-CD1 3.25Å; E114-W118 PolarHBondContact O-N 2.81Å; W118-A120 VanDerWaalsContact C-N 3.35Å; W118-F121 HydrophobicContact CZ3-CD1 4.48Å; W118-F121 PolarHBondContact O-N 2.86Å; W118-S122 WeakPolarHBondContact O-CB 3.47Å; W118-S122 PolarHBondContact O-N 2.99Å
119Q54.1Low48.3Very low157 Ų15784.1 Ų84.173%0.73444%0.441SS*.Hα-helixtrans-62.6-40.9171.9-76.6-83.3-25.500111.9M115M115-Q119 VanDerWaalsContact O-CB 3.22Å; M115-Q119 WeakPolarHBondContact O-CB 3.45Å; M115-Q119 WeakPolarHBondContact O-CG 3.08Å; M115-Q119 PolarHBondContact O-N 2.83Å
120A54.5Low47.6Very low39 Ų3981.1 Ų81.132%0.32244%0.437SS..Hα-helixtrans-75.4-27.2176.900000113.4W56 A116 Y117 W118W56-A120 HydrophobicContact CB-CB 3.84Å; W56-A120 HydrophobicContact CD2-CB 4.2Å; W56-A120 HydrophobicContact CG-CB 3.66Å; A116-A120 WeakPolarHBondContact O-CB 3.37Å; A116-A120 PolarHBondContact O-N 2.96Å; Y117-A120 PolarHBondContact O-N 3.01Å; W118-A120 VanDerWaalsContact C-N 3.35Å
121F44.8Very low46.9Very low19 Ų1986.2 Ų86.28%0.08347%0.468CS..Hα-helixtrans-96.7-19.8-172.7-166.8-122.4000114I27 Y117 W118 P123 V124 V125I27-F121 HydrophobicContact CD1-CE1 4.26Å; I27-F121 HydrophobicContact CD1-CZ 4.36Å; Y117-F121 HydrophobicContact CE1-CD1 4.39Å; Y117-F121 HydrophobicContact CE1-CG 4.41Å; Y117-F121 WeakPolarHBondContact O-CB 3.41Å; Y117-F121 PolarHBondContact O-N 2.85Å; W118-F121 HydrophobicContact CZ3-CD1 4.48Å; W118-F121 PolarHBondContact O-N 2.86Å; F121-P123 VanDerWaalsContact C-N 3.33Å; F121-V124 HydrophobicContact CD2-CB 4.18Å; F121-V124 HydrophobicContact CD2-CG1 4.29Å; F121-V124 HydrophobicContact CE2-CB 4.29Å; F121-V124 HydrophobicContact CE2-CG1 3.9Å; F121-V124 PolarHBondContact O-N 2.89Å; F121-V125 HydrophobicContact CD1-CG2 3.16Å; F121-V125 HydrophobicContact CD2-CG2 4.42Å; F121-V125 HydrophobicContact CE1-CB 4.47Å; F121-V125 HydrophobicContact CE1-CG2 2.95Å; F121-V125 HydrophobicContact CE2-CG2 4.25Å; F121-V125 HydrophobicContact CG-CG2 3.92Å; F121-V125 HydrophobicContact CZ-CG2 3.55Å; F121-V125 PolarHBondContact O-N 3.29Å
122S53.4Low46Very low61 Ų6190.1 Ų90.143%0.42748%0.483SS..Hα-helixtrans-49.1-44.2177.5-130.60000113.8W118 V124 V125 D126W118-S122 WeakPolarHBondContact O-CB 3.47Å; W118-S122 PolarHBondContact O-N 2.99Å; S122-V124 VanDerWaalsContact C-N 3.33Å; S122-V124 PolarHBondContact O-N 3.08Å; S122-V125 PolarHBondContact O-N 2.89Å; S122-D126 WeakPolarHBondContact O-CB 3.46Å; S122-D126 PolarHBondContact O-N 2.84Å
123P53.6Low44.9Very low87 Ų8793 Ų9357%0.56549%0.489SS*.Hα-helixtrans-69-28.1-179.6-1830.8000114.1F121 R127F121-P123 VanDerWaalsContact C-N 3.33Å; P123-R127 PolarHBondContact O-N 3.36Å
124V45.2Very low44.3Very low72 Ų7299.7 Ų99.744%0.43651%0.509SS..Hα-helixtrans-81.8-38.6-179.9169.10000110.6F121 S122 R127 I128F121-V124 HydrophobicContact CD2-CB 4.18Å; F121-V124 HydrophobicContact CD2-CG1 4.29Å; F121-V124 HydrophobicContact CE2-CB 4.29Å; F121-V124 HydrophobicContact CE2-CG1 3.9Å; F121-V124 PolarHBondContact O-N 2.89Å; S122-V124 VanDerWaalsContact C-N 3.33Å; S122-V124 PolarHBondContact O-N 3.08Å; V124-R127 PolarHBondContact O-N 3.41Å; V124-I128 HydrophobicContact CG1-CD1 4.27Å; V124-I128 WeakPolarHBondContact O-CG1 3.43Å; V124-I128 PolarHBondContact O-N 3.26Å
125V40.4Very low43.5Very low23 Ų23102.8 Ų102.814%0.13953%0.529CS..Hα-helixtrans-66.7-45.5173.9179.90000110.5F121 S122 R127 I128 T129F121-V125 HydrophobicContact CD1-CG2 3.16Å; F121-V125 HydrophobicContact CD2-CG2 4.42Å; F121-V125 HydrophobicContact CE1-CB 4.47Å; F121-V125 HydrophobicContact CE1-CG2 2.95Å; F121-V125 HydrophobicContact CE2-CG2 4.25Å; F121-V125 HydrophobicContact CG-CG2 3.92Å; F121-V125 HydrophobicContact CZ-CG2 3.55Å; F121-V125 PolarHBondContact O-N 3.29Å; S122-V125 PolarHBondContact O-N 2.89Å; V125-R127 PolarHBondContact O-N 3.3Å; V125-I128 CarbonylContact O-C 3.6Å; V125-I128 PolarHBondContact O-N 3.48Å; V125-T129 HydrophobicContact CG1-CG2 4.23Å; V125-T129 PolarHBondContact O-N 3.43Å; V125-T129 PolarHBondContact O-OG1 3.16Å
126D44Very low42.5Very low111 Ų111100.5 Ų100.559%0.59453%0.532SS*.Hα-helixtrans-56.4-33.3174.9-93.4-4.7000112.4S122 I128 T129 G130S122-D126 WeakPolarHBondContact O-CB 3.46Å; S122-D126 PolarHBondContact O-N 2.84Å; D126-I128 VanDerWaalsContact C-N 3.34Å; D126-T129 WeakPolarHBondContact CA-OG1 3.49Å; D126-G130 WeakPolarHBondContact O-CA 3.45Å; D126-G130 PolarHBondContact O-N 2.92Å
127R45.8Very low41.5Very low221 Ų221101.4 Ų101.483%0.83455%0.546SS*.Hα-helixtrans-72.4-25.9176.6-158.4175.5-171.1171.13.1113.3P123 V124 V125P123-R127 PolarHBondContact O-N 3.36Å; V124-R127 PolarHBondContact O-N 3.41Å; V125-R127 PolarHBondContact O-N 3.3Å
128I35.8Very low40.7Very low118 Ų118110.8 Ų110.861%0.60559%0.587SS**Hα-helixtrans-92.9-34.9179.5-64.3171.5000111.2V124 V125 D126V124-I128 HydrophobicContact CG1-CD1 4.27Å; V124-I128 WeakPolarHBondContact O-CG1 3.43Å; V124-I128 PolarHBondContact O-N 3.26Å; V125-I128 CarbonylContact O-C 3.6Å; V125-I128 PolarHBondContact O-N 3.48Å; D126-I128 VanDerWaalsContact C-N 3.34Å
129T35.4Very low40Very low66 Ų66110.3 Ų110.341%0.40560%0.604SS.*Hα-helixtrans-79.6-19.8172.844.10000113.2V125 D126 V131 I132V125-T129 HydrophobicContact CG1-CG2 4.23Å; V125-T129 PolarHBondContact O-N 3.43Å; V125-T129 PolarHBondContact O-OG1 3.16Å; D126-T129 WeakPolarHBondContact CA-OG1 3.49Å; T129-V131 PolarHBondContact O-N 3.12Å; T129-I132 PolarHBondContact O-N 3.46Å
130G32.9Very low38.9Very low37 Ų37107.2 Ų107.238%0.38161%0.605SS.*THydrogen-bonded Turntrans-61.90.7175.300000116.3D126D126-G130 WeakPolarHBondContact O-CA 3.45Å; D126-G130 PolarHBondContact O-N 2.92Å
131V36.1Very low37.7Very low125 Ų125117.8 Ų117.876%0.75864%0.637SS**THydrogen-bonded Turntrans-88-15.9170.4177.70000112.5T129T129-V131 PolarHBondContact O-N 3.12Å
132I35.2Very low37Very low146 Ų146120.1 Ų120.175%0.74967%0.666SS**THydrogen-bonded Turntrans-100.1-12.6-179.5-58.1-177.6000113.1T129T129-I132 PolarHBondContact O-N 3.46Å
133E32.3Very low36.1Very low170 Ų170125.2 Ų125.279%0.79469%0.686SS**THydrogen-bonded Turntrans-96.88-179.9-73.5-165.4157.100116.1N135E133-N135 VanDerWaalsContact C-N 3.34Å; E133-N135 PolarHBondContact O-N 3.18Å
134R36.1Very low35Very low229 Ų229124.5 Ų124.586%0.86470%0.695SS**THydrogen-bonded Turntrans-87.77.6173.5-125.1-173.6-74.8-164.9-1.1115.2
135N30.1Very low34.4Very low169 Ų169129.4 Ų129.490%0.90472%0.718SS**SBendtrans-137.711.8-179.4-111.5-15000116.2E133E133-N135 VanDerWaalsContact C-N 3.34Å; E133-N135 PolarHBondContact O-N 3.18Å
136A31.5Very low33.9Very low85 Ų85134.7 Ų134.770%0.70275%0.75SS**SBendtrans-128.5111.9172.100000109.8
137G33.4Very low33.5Very low64 Ų64141.1 Ų141.166%0.6678%0.784SS**  trans105.844.7159.600000117.5A139G137-A139 PolarHBondContact O-N 2.83Å
138K34.2Very low32.9Very low230 Ų230137.2 Ų137.2100%178%0.781SS**SBendtrans-66.461.4141.1-155.5-174.5-167-168.70108.4
139A31.9Very low32.8Very low88 Ų88138.2 Ų138.273%0.72779%0.79SS**  trans-166.857.3-174.100000111.4G137G137-A139 PolarHBondContact O-N 2.83Å
140A30.7Very low32.6Very low91 Ų91142.2 Ų142.275%0.75281%0.812SS**  trans-163.956159.100000110.6
141R28.8Very low32.6Very low262 Ų262148.4 Ų148.499%0.98984%0.837SS**  trans-90.2108.1151.5-81.4-170.1172.4-166.7-2.2105.9
142G31.1Very low32.4Very low68 Ų68149.8 Ų149.870%0.70184%0.842SS**  trans136.152.8169.900000115.6
143I33.1Very low32.2Very low167 Ų167150.1 Ų150.186%0.85685%0.848SS**  trans-147.898.3148.57.3178.6000107.2
144G31Very low32.2Very low72 Ų72148.6 Ų148.674%0.74285%0.852SS**  trans-72.5134.517100000109.7
145L33Very low31.9Very low175 Ų175142.5 Ų142.592%0.91685%0.851SS**  trans-146.9118.4150.4-142.287.1000108.9
146T29.2Very low32Very low134 Ų134140.3 Ų140.382%0.82285%0.847SS**  trans-74.6133167.790000110.1
147L36.6Very low32.1Very low247 Ų247145.3 Ų145.3100%1.29386%0.86SS**  -164.20129.3-101.1164.9000108.6

Retrieved 147 of 147 residues in 113.3 ms (Link to these results)

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