A0A3Q0KHT5_SCHMA Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. Non-catalytic component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex).

AlphaFold DB , UniProt , Accession A0A3Q0KHT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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
1M59.5Low91.7Very high110 Ų11040.6 Ų40.654%0.54222%0.223SC..  0115.70-171.1170.4-173.800105.3F4 T176 K177M1-F4 WeakPolarHBondContact O-CD1 3.32Å; M1-F4 VanDerWaalsContact O-CE1 3.24Å; M1-F4 WeakPolarHBondContact O-CE1 3.35Å; M1-T176 HydrophobicContact CE-CG2 4.04Å; M1-T176 HydrophobicContact SD-CG2 4.45Å; M1-K177 HydrophobicContact CE-CG 4.39Å
2N79Confident91.8Very high77 Ų7739.6 Ų39.641%0.41221%0.213SC..  trans-106.7-13.9-169.4-60.211.6000111.6F4 D142N2-F4 PolarHBondContact O-N 3.23Å; N2-D142 PolarHBondContact ND2-O 3.17Å
3D92.5Very high92.1Very high97 Ų9740.2 Ų40.252%0.51922%0.221SC..  trans-94.981.9-177.7-49.5-45.9000109.9F99D3-F99 HydrophobicContact CB-CE2 3.7Å; D3-F99 HydrophobicContact CB-CZ 4.11Å; D3-F99 WeakPolarHBondContact O-CE2 3.24Å
4F96.6Very high92.2Very high26 Ų2642.2 Ų42.211%0.11425%0.246CC..  trans-151.6162.2178.565.9-87.7000112.4M1 N2 L6 M143 V145 A148 I174 V175 T176M1-F4 WeakPolarHBondContact O-CD1 3.32Å; M1-F4 VanDerWaalsContact O-CE1 3.24Å; M1-F4 WeakPolarHBondContact O-CE1 3.35Å; N2-F4 PolarHBondContact O-N 3.23Å; F4-L6 HydrophobicContact CD2-CB 4.33Å; F4-L6 HydrophobicContact CE2-CB 4.25Å; F4-M143 WeakPolarHBondContact CE1-O 3.43Å; F4-V145 HydrophobicContact CD1-CG2 3.79Å; F4-V145 HydrophobicContact CD2-CG2 4.44Å; F4-V145 HydrophobicContact CE1-CG2 3.75Å; F4-V145 HydrophobicContact CE2-CG2 4.4Å; F4-V145 HydrophobicContact CG-CG2 4.16Å; F4-V145 HydrophobicContact CZ-CB 4.47Å; F4-V145 HydrophobicContact CZ-CG2 4.07Å; F4-A148 HydrophobicContact CE2-CB 3.73Å; F4-A148 HydrophobicContact CZ-CB 3.7Å; F4-I174 HydrophobicContact CB-CD1 3.74Å; F4-I174 HydrophobicContact CB-CG1 3.81Å; F4-I174 HydrophobicContact CD2-CD1 3.75Å; F4-I174 HydrophobicContact CD2-CG1 4.01Å; F4-I174 HydrophobicContact CG-CD1 3.78Å; F4-I174 HydrophobicContact CG-CG1 4.2Å; F4-V175 VanDerWaalsContact CA-O 3.29Å; F4-V175 WeakPolarHBondContact CA-O 3.37Å; F4-T176 HydrophobicContact CB-CG2 4.01Å
5V97.5Very high92.3Very high12 Ų1248.3 Ų48.37%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-120.7129.5164.9-170.90000108.4A97 P105 L107 I174 V175V5-A97 HydrophobicContact CB-CB 3.94Å; V5-A97 HydrophobicContact CG1-CB 3.45Å; V5-A97 VanDerWaalsContact CG1-CB 3.45Å; V5-P105 HydrophobicContact CG2-CB 3.49Å; V5-P105 VanDerWaalsContact CG2-CB 3.49Å; V5-L107 HydrophobicContact CG1-CB 4.08Å; V5-L107 HydrophobicContact CG1-CD1 4.08Å; V5-I174 WeakPolarHBondContact O-CA 3.15Å; V5-V175 HydrophobicContact CB-CB 4.48Å; V5-V175 PolarHBondContact N-O 3.4Å; V5-V175 PolarHBondContact O-N 3.37Å
6L97.3Very high92.4Very high35 Ų3552.1 Ų52.118%0.18330%0.301CS..EExtended strand (participates in β ladder)trans-103.2126.2177.3-168.872.2000109.2F4 A148 V149 L152 V172 I174 L183F4-L6 HydrophobicContact CD2-CB 4.33Å; F4-L6 HydrophobicContact CE2-CB 4.25Å; L6-A148 HydrophobicContact CD2-CB 4.19Å; L6-V149 HydrophobicContact CD1-CG2 4.37Å; L6-V149 HydrophobicContact CD2-CG2 4Å; L6-L152 HydrophobicContact CD2-CB 4.35Å; L6-L152 HydrophobicContact CD2-CD2 3.87Å; L6-L152 HydrophobicContact CG-CD2 4.5Å; L6-V172 HydrophobicContact CD1-CG1 3.51Å; L6-V172 HydrophobicContact CD2-CG1 4.45Å; L6-V172 HydrophobicContact CG-CG1 4.05Å; L6-I174 HydrophobicContact CD1-CB 4.14Å; L6-I174 HydrophobicContact CD1-CG1 4.49Å; L6-L183 HydrophobicContact CD1-CD1 3.84Å
7L97.9Very high92.4Very high5 Ų558.4 Ų58.43%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-113.8143.5171.3-73.2-176.5000110.4M27 L35 A37 L95 A97 L107 V172 R173L7-M27 HydrophobicContact CB-CE 3.78Å; L7-M27 HydrophobicContact CB-SD 4.26Å; L7-L35 HydrophobicContact CD1-CB 4.32Å; L7-L35 HydrophobicContact CD1-CD2 3.97Å; L7-L35 HydrophobicContact CD1-CG 4.01Å; L7-A37 HydrophobicContact CD1-CB 4.2Å; L7-L95 HydrophobicContact CD2-CB 4.05Å; L7-L95 HydrophobicContact CD2-CD1 4.33Å; L7-A97 HydrophobicContact CD1-CB 3.45Å; L7-A97 VanDerWaalsContact CD1-CB 3.45Å; L7-A97 HydrophobicContact CD2-CB 4.08Å; L7-A97 HydrophobicContact CG-CB 3.61Å; L7-L107 HydrophobicContact CD2-CD1 4.09Å; L7-V172 WeakPolarHBondContact O-CA 3.27Å; L7-R173 PolarHBondContact N-O 3.23Å; L7-R173 PolarHBondContact O-N 3.12Å
8A97.8Very high92.6Very high33 Ų3361.9 Ų61.927%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-138.2142171.800000110.6L152 M171 V172A8-L152 HydrophobicContact CB-CD1 3.7Å; A8-L152 HydrophobicContact CB-CD2 3.54Å; A8-L152 HydrophobicContact CB-CG 4.19Å; A8-M171 VanDerWaalsContact CA-O 3.23Å; A8-M171 WeakPolarHBondContact CA-O 3.25Å; A8-V172 HydrophobicContact CB-CG2 4.19Å
9A97.6Very high92.7Very high11 Ų1161.3 Ų61.39%0.09135%0.347CS..EExtended strand (participates in β ladder)trans-141.7143.7176.500000109.4K26 M27 Y170 M171A9-K26 HydrophobicContact CB-CB 4.03Å; A9-M27 HydrophobicContact CB-CE 3.79Å; A9-Y170 CarbonylContact O-C 3.48Å; A9-Y170 VanDerWaalsContact O-CA 3.25Å; A9-Y170 WeakPolarHBondContact O-CA 3.34Å; A9-M171 HydrophobicContact CB-CG 4.28Å; A9-M171 HydrophobicContact CB-SD 4.45Å; A9-M171 PolarHBondContact N-O 2.87Å; A9-M171 VanDerWaalsContact N-O 3.17Å; A9-M171 PolarHBondContact O-N 3.08Å
10D96.4Very high92.8Very high33 Ų3364.2 Ų64.218%0.17636%0.36CS..EExtended strand (participates in β ladder)trans-66148.4173.278.4-78.6000109.8R12 K26 L167 R169 Y170D10-R12 PolarHBondContact OD2-N 2.89Å; D10-R12 VanDerWaalsContact OD2-N 3.14Å; D10-K26 WeakPolarHBondContact O-CD 3.33Å; D10-K26 WeakPolarHBondContact O-CE 3.11Å; D10-K26 IonicContact OD1-NZ 2.79Å; D10-K26 PolarHBondContact OD1-NZ 2.9Å; D10-K26 IonicContact OD2-NZ 2.69Å; D10-K26 PolarHBondContact OD2-NZ 2.92Å; D10-L167 HydrophobicContact CB-CB 4.28Å; D10-L167 HydrophobicContact CB-CD1 4.39Å; D10-L167 HydrophobicContact CB-CD2 4.08Å; D10-L167 HydrophobicContact CB-CG 4.49Å; D10-R169 WeakPolarHBondContact CA-O 3.33Å; D10-Y170 HydrophobicContact CB-CD1 4.14Å; D10-Y170 HydrophobicContact CB-CE1 3.8Å
11M96.2Very high92.9Very high8 Ų864.8 Ų64.84%0.03936%0.358CS..  trans-98.210.8-176.7-57.3-170.27000113.1H22 D23 E24 L25 R169 M171M11-H22 WeakPolarHBondContact CB-O 3.22Å; M11-H22 CarbonylContact O-C 3.57Å; M11-D23 HydrophobicContact CE-CB 4.31Å; M11-D23 PolarHBondContact O-N 2.9Å; M11-E24 WeakPolarHBondContact CA-O 3.44Å; M11-E24 WeakPolarHBondContact O-CB 3.29Å; M11-E24 PolarHBondContact O-N 2.87Å; M11-L25 HydrophobicContact CE-CD2 4.01Å; M11-R169 HydrophobicContact CB-CG 4.4Å; M11-R169 HydrophobicContact CG-CG 4.17Å; M11-R169 PolarHBondContact N-O 2.84Å; M11-R169 HydrophobicContact SD-CG 3.64Å; M11-R169 PolarHBondContact SD-NE 3.06Å; M11-R169 VanDerWaalsContact SD-NE 3.44Å; M11-M171 HydrophobicContact CB-CE 4.43Å; M11-M171 HydrophobicContact CE-CB 4.34Å; M11-M171 HydrophobicContact CE-CE 4.17Å; M11-M171 HydrophobicContact CG-CB 4.02Å; M11-M171 HydrophobicContact CG-CE 3.61Å; M11-M171 HydrophobicContact SD-CB 3.85Å; M11-M171 HydrophobicContact SD-CE 4.4Å
12R93.7Very high94.5Very high28 Ų2864 Ų6411%0.10635%0.353CS..  trans-92.6137.2-175.9-74.1-171.9173.6-146.8-3.2111.6D10 T19 K21 K26 N166 L167 D168D10-R12 PolarHBondContact OD2-N 2.89Å; D10-R12 VanDerWaalsContact OD2-N 3.14Å; R12-T19 HydrophobicContact CB-CG2 4.33Å; R12-T19 HydrophobicContact CG-CG2 4.16Å; R12-K21 WeakPolarHBondContact CA-O 3.36Å; R12-K26 VanDerWaalsContact O-CE 3.3Å; R12-K26 WeakPolarHBondContact O-CE 3.46Å; R12-K26 PolarHBondContact O-NZ 3.29Å; R12-N166 WeakPolarHBondContact CD-O 3.38Å; R12-N166 PolarHBondContact NE-O 3.49Å; R12-N166 PolarHBondContact NH1-ND2 3.18Å; R12-N166 PolarHBondContact NH1-O 3.14Å; R12-N166 VanDerWaalsContact NH1-O 3.13Å; R12-N166 PolarHBondContact NH2-ND2 3.17Å; R12-N166 VanDerWaalsContact NH2-ND2 3.12Å; R12-L167 HydrophobicContact CB-CD2 4.42Å; R12-D168 IonicContact CZ-OD1 3.33Å; R12-D168 IonicContact CZ-OD2 3.7Å; R12-D168 IonicContact NE-OD1 2.76Å; R12-D168 PolarHBondContact NE-OD1 3.41Å; R12-D168 IonicContact NE-OD2 3.88Å; R12-D168 IonicContact NH2-OD1 3.12Å; R12-D168 PolarHBondContact NH2-OD1 3.03Å; R12-D168 VanDerWaalsContact NH2-OD1 3.12Å; R12-D168 IonicContact NH2-OD2 2.73Å; R12-D168 PolarHBondContact NH2-OD2 2.91Å
13C94.7Very high95.3Very high48 Ų4864.5 Ų64.532%0.32436%0.356SS..EExtended strand (participates in β ladder)trans-112114.7164.6-174.60000108.1T19 I20 K21 E24C13-T19 CarbonylContact O-C 3.58Å; C13-I20 PolarHBondContact O-N 3.05Å; C13-K21 HydrophobicContact CB-CB 3.91Å; C13-K21 PolarHBondContact N-O 2.95Å; C13-K21 PolarHBondContact O-N 3.29Å; C13-E24 HydrophobicContact CB-CB 4.12Å; C13-E24 HydrophobicContact CB-CG 4.27Å
14A93.7Very high95.4Very high68 Ų6863 Ų6356%0.56235%0.346SS*.EExtended strand (participates in β ladder)trans-107.7145.6178.600000110.5L18A14-L18 CarbonylContact C-O 3.52Å; A14-L18 WeakPolarHBondContact CA-O 3.46Å
15H93.8Very high95.4Very high133 Ų13366.4 Ų66.462%0.61637%0.365SS*.EExtended strand (participates in β ladder)trans-138.4122.3170.4-174.277.4000108.6I17 L18 I20H15-I17 PolarHBondContact O-N 3.28Å; H15-L18 PolarHBondContact N-O 3.32Å; H15-L18 PolarHBondContact O-N 2.88Å; H15-L18 VanDerWaalsContact O-N 3.13Å; H15-I20 HydrophobicContact CB-CD1 3.29Å; H15-I20 HydrophobicContact CB-CG1 3.86Å
16S94.5Very high95.4Very high109 Ų10967.8 Ų67.876%0.76237%0.37SS*.THydrogen-bonded Turntrans53.5-133.1-168.2-173.60000110.1L18S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 3.34Å
17I93Very high95.4Very high160 Ų16067.4 Ų67.482%0.82137%0.367SS*.THydrogen-bonded Turntrans-852.6179.664.1172.1000114H15H15-I17 PolarHBondContact O-N 3.28Å
18L94.9Very high95.4Very high121 Ų12168.7 Ų68.763%0.63437%0.373SS*.EExtended strand (participates in β ladder)trans-109.8142.5-174.1-60.1177.3000111.2A14 H15 S16A14-L18 CarbonylContact C-O 3.52Å; A14-L18 WeakPolarHBondContact CA-O 3.46Å; H15-L18 PolarHBondContact N-O 3.32Å; H15-L18 PolarHBondContact O-N 2.88Å; H15-L18 VanDerWaalsContact O-N 3.13Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 3.34Å
19T94.1Very high95.3Very high51 Ų5171.6 Ų71.631%0.31338%0.379SS..EExtended strand (participates in β ladder)trans-88.5116.2165.7-57.50000108.1R12 C13 K21R12-T19 HydrophobicContact CB-CG2 4.33Å; R12-T19 HydrophobicContact CG-CG2 4.16Å; C13-T19 CarbonylContact O-C 3.58Å; T19-K21 VanDerWaalsContact CG2-O 3.31Å; T19-K21 WeakPolarHBondContact CG2-O 3.26Å
20I95.4Very high95.3Very high118 Ų11871.1 Ų71.161%0.60538%0.375SS*.EExtended strand (participates in β ladder)trans-81.6-36.7179.6-63-173.2000110.7C13 H15C13-I20 PolarHBondContact O-N 3.05Å; H15-I20 HydrophobicContact CB-CD1 3.29Å; H15-I20 HydrophobicContact CB-CG1 3.86Å
21K95.2Very high95.2Very high77 Ų7770.3 Ų70.334%0.33537%0.372SS..EExtended strand (participates in β ladder)trans-144.4145.7-174-169.7174.5169-167.20111.3R12 C13 T19 D23 E24R12-K21 WeakPolarHBondContact CA-O 3.36Å; C13-K21 HydrophobicContact CB-CB 3.91Å; C13-K21 PolarHBondContact N-O 2.95Å; C13-K21 PolarHBondContact O-N 3.29Å; T19-K21 VanDerWaalsContact CG2-O 3.31Å; T19-K21 WeakPolarHBondContact CG2-O 3.26Å; K21-D23 WeakPolarHBondContact CD-OD1 3.15Å; K21-D23 WeakPolarHBondContact CE-O 3.39Å; K21-D23 WeakPolarHBondContact CE-OD1 3.44Å; K21-D23 WeakPolarHBondContact CG-OD1 3.29Å; K21-E24 HydrophobicContact CD-CB 4.38Å; K21-E24 VanDerWaalsContact CD-OE2 3.32Å; K21-E24 WeakPolarHBondContact CD-OE2 3.34Å; K21-E24 WeakPolarHBondContact CE-OE2 3.44Å; K21-E24 IonicContact NZ-OE2 2.79Å; K21-E24 PolarHBondContact NZ-OE2 3.3Å
22H93.5Very high95.1Very high93 Ų9376.4 Ų76.443%0.43140%0.398SS..SBendtrans-115.3-0.4-175.9-61.381.5000113.4M11M11-H22 WeakPolarHBondContact CB-O 3.22Å; M11-H22 CarbonylContact O-C 3.57Å
23D95.1Very high95.2Very high88 Ų8877.2 Ų77.247%0.47140%0.401SS..SBendtrans-132.333.3-176.364-27.1000111.7M11 K21M11-D23 HydrophobicContact CE-CB 4.31Å; M11-D23 PolarHBondContact O-N 2.9Å; K21-D23 WeakPolarHBondContact CD-OD1 3.15Å; K21-D23 WeakPolarHBondContact CE-O 3.39Å; K21-D23 WeakPolarHBondContact CE-OD1 3.44Å; K21-D23 WeakPolarHBondContact CG-OD1 3.29Å
24E95.4Very high95.4Very high65 Ų6575 Ų7530%0.30439%0.386SS..  trans-70131.8177.3-174.761-171.600111.1M11 C13 K21 K26 M171M11-E24 WeakPolarHBondContact CA-O 3.44Å; M11-E24 WeakPolarHBondContact O-CB 3.29Å; M11-E24 PolarHBondContact O-N 2.87Å; C13-E24 HydrophobicContact CB-CB 4.12Å; C13-E24 HydrophobicContact CB-CG 4.27Å; K21-E24 HydrophobicContact CD-CB 4.38Å; K21-E24 VanDerWaalsContact CD-OE2 3.32Å; K21-E24 WeakPolarHBondContact CD-OE2 3.34Å; K21-E24 WeakPolarHBondContact CE-OE2 3.44Å; K21-E24 IonicContact NZ-OE2 2.79Å; K21-E24 PolarHBondContact NZ-OE2 3.3Å; E24-K26 HydrophobicContact CG-CG 4.34Å; E24-M171 WeakPolarHBondContact O-CE 3.47Å
25L95.1Very high95.6Very high98 Ų9871.9 Ų71.951%0.51336%0.36SS..  trans-95.8110.2179.9-61.3-175.7000110M11 M171M11-L25 HydrophobicContact CE-CD2 4.01Å; L25-M171 HydrophobicContact CD2-CE 3.93Å; L25-M171 HydrophobicContact CD2-SD 4.16Å
26K97.1Very high95.8Very high42 Ų4265.5 Ų65.518%0.18333%0.331CS..  trans-101.117-177.6-57-174-171.6178.90113A9 D10 R12 E24 A37 V38A9-K26 HydrophobicContact CB-CB 4.03Å; D10-K26 WeakPolarHBondContact O-CD 3.33Å; D10-K26 WeakPolarHBondContact O-CE 3.11Å; D10-K26 IonicContact OD1-NZ 2.79Å; D10-K26 PolarHBondContact OD1-NZ 2.9Å; D10-K26 IonicContact OD2-NZ 2.69Å; D10-K26 PolarHBondContact OD2-NZ 2.92Å; R12-K26 VanDerWaalsContact O-CE 3.3Å; R12-K26 WeakPolarHBondContact O-CE 3.46Å; R12-K26 PolarHBondContact O-NZ 3.29Å; E24-K26 HydrophobicContact CG-CG 4.34Å; K26-A37 WeakPolarHBondContact O-CA 3.37Å; K26-V38 PolarHBondContact O-N 3.29Å
27M97.7Very high96Very high26 Ų2660.9 Ų60.913%0.12830%0.299CS..EExtended strand (participates in β ladder)trans-123.7132.4-177.4-63.4-174.6-17400111.6L7 A9 L35 A36 A37 M171 R173L7-M27 HydrophobicContact CB-CE 3.78Å; L7-M27 HydrophobicContact CB-SD 4.26Å; A9-M27 HydrophobicContact CB-CE 3.79Å; M27-L35 HydrophobicContact CB-CD1 4.04Å; M27-L35 HydrophobicContact CB-CG 4.47Å; M27-L35 HydrophobicContact SD-CD2 3.98Å; M27-A36 CarbonylContact C-O 3.52Å; M27-A36 WeakPolarHBondContact CA-O 3.43Å; M27-A37 HydrophobicContact CG-CB 4.08Å; M27-M171 HydrophobicContact CB-SD 4.26Å; M27-M171 HydrophobicContact CE-CG 3.67Å; M27-M171 HydrophobicContact CE-SD 4.21Å; M27-M171 HydrophobicContact CG-CG 4.48Å; M27-M171 HydrophobicContact CG-SD 3.8Å; M27-M171 HydrophobicContact SD-CG 4.04Å; M27-M171 HydrophobicContact SD-SD 4.02Å; M27-R173 HydrophobicContact SD-CB 3.85Å; M27-R173 HydrophobicContact SD-CG 3.43Å; M27-R173 WeakPolarHBondContact SD-CG 3.33Å
28F97.5Very high96.2Very high33 Ų3353.6 Ų53.615%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-121.4124.7-175.6-63.5-96.9000110.6F30 A36 V38 S49 E50F28-F30 HydrophobicContact CB-CD1 4.22Å; F28-F30 HydrophobicContact CB-CE1 4Å; F28-F30 PolarHBondContact O-N 3.33Å; F28-F30 VanDerWaalsContact O-N 3.17Å; F28-A36 PolarHBondContact N-O 2.92Å; F28-A36 PolarHBondContact O-N 2.92Å; F28-V38 HydrophobicContact CD2-CB 4.44Å; F28-V38 HydrophobicContact CD2-CG2 4.07Å; F28-V38 HydrophobicContact CE2-CB 4.37Å; F28-V38 HydrophobicContact CE2-CG2 4.47Å; F28-S49 VanDerWaalsContact CG-CB 3.44Å; F28-E50 HydrophobicContact CE1-CG 4.22Å
29K97.1Very high96.3Very high93 Ų9350 Ų5040%0.40425%0.246SC..EExtended strand (participates in β ladder)trans-7899.2178.1-64.3-179-175.6174.10109.2L35 Q53 I180 E182K29-L35 HydrophobicContact CG-CD1 3.98Å; K29-Q53 WeakPolarHBondContact O-CG 3.44Å; K29-Q53 PolarHBondContact O-NE2 3.01Å; K29-I180 HydrophobicContact CB-CD1 4.42Å; K29-I180 HydrophobicContact CG-CD1 4.08Å; K29-E182 IonicContact NZ-OE1 2.81Å; K29-E182 PolarHBondContact NZ-OE1 2.83Å
30F96.3Very high96.4Very high1 Ų149.8 Ų49.80%0.00425%0.254CS..  trans-74.3-36.4179.8-86.212.1000112.2F28 V34 A36 I52 Q53 M56 L94F28-F30 HydrophobicContact CB-CD1 4.22Å; F28-F30 HydrophobicContact CB-CE1 4Å; F28-F30 PolarHBondContact O-N 3.33Å; F28-F30 VanDerWaalsContact O-N 3.17Å; F30-V34 HydrophobicContact CB-CB 4.08Å; F30-V34 HydrophobicContact CB-CG1 3.83Å; F30-V34 HydrophobicContact CD2-CG1 4.25Å; F30-V34 PolarHBondContact N-O 3.32Å; F30-A36 HydrophobicContact CD1-CB 4.24Å; F30-A36 HydrophobicContact CD2-CB 3.93Å; F30-A36 HydrophobicContact CE1-CB 3.85Å; F30-A36 HydrophobicContact CE2-CB 3.5Å; F30-A36 HydrophobicContact CG-CB 4.29Å; F30-A36 HydrophobicContact CZ-CB 3.46Å; F30-A36 VanDerWaalsContact CZ-CB 3.46Å; F30-I52 HydrophobicContact CD1-CG2 4.35Å; F30-I52 HydrophobicContact CD2-CG2 3.97Å; F30-I52 HydrophobicContact CE1-CB 4.11Å; F30-I52 HydrophobicContact CE1-CG2 3.86Å; F30-I52 HydrophobicContact CE2-CB 4.37Å; F30-I52 HydrophobicContact CE2-CG2 3.43Å; F30-I52 VanDerWaalsContact CE2-CG2 3.43Å; F30-I52 HydrophobicContact CG-CG2 4.41Å; F30-I52 HydrophobicContact CZ-CB 3.82Å; F30-I52 HydrophobicContact CZ-CG2 3.37Å; F30-Q53 HydrophobicContact CD1-CB 4.07Å; F30-Q53 HydrophobicContact CE1-CB 4.35Å; F30-M56 HydrophobicContact CB-SD 3.42Å; F30-M56 WeakPolarHBondContact CB-SD 3.46Å; F30-M56 HydrophobicContact CD2-CE 3.58Å; F30-M56 HydrophobicContact CD2-SD 3.54Å; F30-M56 VanDerWaalsContact CD2-SD 3.54Å; F30-M56 HydrophobicContact CE2-CE 4.05Å; F30-M56 HydrophobicContact CE2-SD 4.46Å; F30-M56 HydrophobicContact CG-CE 4.25Å; F30-M56 HydrophobicContact CG-SD 3.6Å; F30-M56 VanDerWaalsContact O-CB 3.32Å; F30-M56 WeakPolarHBondContact O-CB 3.48Å; F30-L94 HydrophobicContact CZ-CD2 4.37Å
31S94.8Very high96.4Very high16 Ų1649.2 Ų49.211%0.11225%0.249CC..SBendtrans-149.9-168.7168.180.60000110R33 V34 E66 I180S31-R33 PolarHBondContact O-N 2.76Å; S31-R33 PolarHBondContact OG-N 2.86Å; S31-V34 PolarHBondContact N-O 2.98Å; S31-V34 VanDerWaalsContact N-O 3.12Å; S31-V34 WeakPolarHBondContact OG-CB 3.27Å; S31-V34 WeakPolarHBondContact OG-CG2 3.48Å; S31-V34 PolarHBondContact OG-N 3.06Å; S31-E66 VanDerWaalsContact CB-OE2 3.28Å; S31-E66 WeakPolarHBondContact CB-OE2 3.3Å; S31-E66 PolarHBondContact OG-OE2 3.18Å; S31-I180 WeakPolarHBondContact O-CD1 3.39Å
32K94.9Very high96.3Very high136 Ų13649.8 Ų49.859%0.59126%0.263SS*.SBendtrans-63.4-29.6176.1-67.8172.7-175.2141.50112.7E60 E66 G179 I180K32-E60 WeakPolarHBondContact CE-OE1 3.39Å; K32-E60 IonicContact NZ-OE1 3.64Å; K32-E60 PolarHBondContact NZ-OE1 2.87Å; K32-E66 PolarHBondContact N-OE2 3.24Å; K32-G179 WeakPolarHBondContact O-CA 3.49Å; K32-I180 WeakPolarHBondContact O-CG1 3.45Å; K32-I180 PolarHBondContact O-N 2.84Å
33R96.5Very high96.3Very high46 Ų4647.1 Ų47.117%0.17426%0.26CS..SBendtrans-127.115.7-177.1-67.7-178.2-64.9-168.46.5114S31 E66 G98 F99 L101 V175 K177S31-R33 PolarHBondContact O-N 2.76Å; S31-R33 PolarHBondContact OG-N 2.86Å; R33-E66 IonicContact CZ-OE1 2.69Å; R33-E66 PolarHBondContact N-OE2 3.39Å; R33-E66 IonicContact NE-OE1 2.7Å; R33-E66 PolarHBondContact NE-OE1 2.83Å; R33-E66 IonicContact NH2-OE1 3.02Å; R33-E66 PolarHBondContact NH2-OE1 2.84Å; R33-G98 CarbonylContact O-C 3.57Å; R33-G98 WeakPolarHBondContact O-CA 3.29Å; R33-F99 PolarHBondContact O-N 3.45Å; R33-L101 VanDerWaalsContact NH1-CD1 3.31Å; R33-V175 WeakPolarHBondContact O-CG1 3.29Å; R33-K177 WeakPolarHBondContact CD-O 3.37Å
34V97.8Very high96.4Very high1 Ų144.7 Ų44.71%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-127.3123.5174-175.40000109.3F30 S31 P69 A72 I96 A97F30-V34 HydrophobicContact CB-CB 4.08Å; F30-V34 HydrophobicContact CB-CG1 3.83Å; F30-V34 HydrophobicContact CD2-CG1 4.25Å; F30-V34 PolarHBondContact N-O 3.32Å; S31-V34 PolarHBondContact N-O 2.98Å; S31-V34 VanDerWaalsContact N-O 3.12Å; S31-V34 WeakPolarHBondContact OG-CB 3.27Å; S31-V34 WeakPolarHBondContact OG-CG2 3.48Å; S31-V34 PolarHBondContact OG-N 3.06Å; V34-P69 HydrophobicContact CG2-CB 4.42Å; V34-P69 HydrophobicContact CG2-CG 4.23Å; V34-A72 HydrophobicContact CG1-CB 4.04Å; V34-A72 HydrophobicContact CG2-CB 4.44Å; V34-I96 HydrophobicContact CG1-CG2 3.79Å; V34-A97 WeakPolarHBondContact CA-O 3.18Å
35L98.2Very high96.4Very high2 Ų243 Ų431%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-126132-179.3-17666.1000109L7 M27 K29 A97 R173 V175 I180L7-L35 HydrophobicContact CD1-CB 4.32Å; L7-L35 HydrophobicContact CD1-CD2 3.97Å; L7-L35 HydrophobicContact CD1-CG 4.01Å; M27-L35 HydrophobicContact CB-CD1 4.04Å; M27-L35 HydrophobicContact CB-CG 4.47Å; M27-L35 HydrophobicContact SD-CD2 3.98Å; K29-L35 HydrophobicContact CG-CD1 3.98Å; L35-A97 PolarHBondContact N-O 3.43Å; L35-A97 PolarHBondContact O-N 3.02Å; L35-A97 VanDerWaalsContact O-O 3.08Å; L35-R173 HydrophobicContact CD2-CB 3.54Å; L35-R173 HydrophobicContact CD2-CG 4.13Å; L35-V175 HydrophobicContact CB-CG2 3.92Å; L35-V175 HydrophobicContact CD2-CG2 4.26Å; L35-I180 HydrophobicContact CB-CD1 3.95Å; L35-I180 HydrophobicContact CB-CG1 4.35Å; L35-I180 HydrophobicContact CD1-CD1 4.38Å; L35-I180 HydrophobicContact CD1-CG2 4.47Å; L35-I180 HydrophobicContact CD2-CG2 4Å
36A98.1Very high96.4Very high0 Ų040.4 Ų40.40%023%0.231CC..EExtended strand (participates in β ladder)trans-112.5130.1173.900000110.6M27 F28 F30 V38 L94 L95 I96M27-A36 CarbonylContact C-O 3.52Å; M27-A36 WeakPolarHBondContact CA-O 3.43Å; F28-A36 PolarHBondContact N-O 2.92Å; F28-A36 PolarHBondContact O-N 2.92Å; F30-A36 HydrophobicContact CD1-CB 4.24Å; F30-A36 HydrophobicContact CD2-CB 3.93Å; F30-A36 HydrophobicContact CE1-CB 3.85Å; F30-A36 HydrophobicContact CE2-CB 3.5Å; F30-A36 HydrophobicContact CG-CB 4.29Å; F30-A36 HydrophobicContact CZ-CB 3.46Å; F30-A36 VanDerWaalsContact CZ-CB 3.46Å; A36-V38 HydrophobicContact CB-CG2 4.24Å; A36-L94 HydrophobicContact CB-CD2 4.47Å; A36-L95 CarbonylContact C-O 3.07Å; A36-L95 VanDerWaalsContact CA-O 3.27Å; A36-L95 WeakPolarHBondContact CA-O 3.45Å; A36-I96 HydrophobicContact CB-CG1 4.34Å
37A98.2Very high96.4Very high11 Ų1144 Ų449%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-97.3131.3164.600000108.9L7 K26 M27 L94 L95L7-A37 HydrophobicContact CD1-CB 4.2Å; K26-A37 WeakPolarHBondContact O-CA 3.37Å; M27-A37 HydrophobicContact CG-CB 4.08Å; A37-L94 WeakPolarHBondContact O-CA 3.44Å; A37-L95 HydrophobicContact CB-CB 4.49Å; A37-L95 PolarHBondContact N-O 2.92Å; A37-L95 PolarHBondContact O-N 2.94Å
38V97.8Very high96.4Very high8 Ų842.8 Ų42.85%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-129.3133.9-168.5-173.10000111.1K26 F28 A36 T45 S49 V92 N93 L94K26-V38 PolarHBondContact O-N 3.29Å; F28-V38 HydrophobicContact CD2-CB 4.44Å; F28-V38 HydrophobicContact CD2-CG2 4.07Å; F28-V38 HydrophobicContact CE2-CB 4.37Å; F28-V38 HydrophobicContact CE2-CG2 4.47Å; A36-V38 HydrophobicContact CB-CG2 4.24Å; V38-T45 HydrophobicContact CG1-CG2 4.07Å; V38-S49 VanDerWaalsContact CG2-OG 3.29Å; V38-S49 WeakPolarHBondContact CG2-OG 3.15Å; V38-V92 HydrophobicContact CG1-CB 4.27Å; V38-V92 HydrophobicContact CG1-CG1 4.44Å; V38-N93 WeakPolarHBondContact CA-O 3.28Å; V38-L94 HydrophobicContact CB-CG 4.49Å; V38-L94 HydrophobicContact CG1-CD2 4.46Å; V38-L94 HydrophobicContact CG1-CG 4.16Å; V38-L94 HydrophobicContact CG2-CD2 3.6Å; V38-L94 HydrophobicContact CG2-CG 3.86Å
39C97Very high96.3Very high44 Ų4441.2 Ų41.230%0.29724%0.236SC..EExtended strand (participates in β ladder)trans-141.6150.7174.465.10000110.6N93C39-N93 PolarHBondContact N-O 3.47Å; C39-N93 PolarHBondContact O-N 2.97Å
40G96.7Very high96.3Very high47 Ų4740.8 Ų40.849%0.48524%0.235SC..EExtended strand (participates in β ladder)trans153.9-152.2-175.600000111.8T45 F91G40-T45 VanDerWaalsContact N-CG2 3.34Å; G40-F91 CarbonylContact C-O 3.58Å; G40-F91 VanDerWaalsContact CA-O 3.29Å; G40-F91 WeakPolarHBondContact CA-O 3.35Å
41E95.4Very high96.4Very high107 Ų10744.3 Ų44.350%0.525%0.251SS..SBendtrans-64.3132.8176.2-176.751.2-123.600110.9G43 D44 T45 F91E41-G43 PolarHBondContact O-N 2.94Å; E41-D44 HydrophobicContact CB-CB 4.17Å; E41-D44 PolarHBondContact O-N 3.04Å; E41-T45 WeakPolarHBondContact O-CG2 3.49Å; E41-T45 PolarHBondContact O-N 2.84Å; E41-F91 HydrophobicContact CB-CB 4.01Å; E41-F91 PolarHBondContact N-O 3.12Å
42S91.6Very high96.5Very high89 Ų8943.6 Ų43.662%0.62225%0.246SC*.Hα-helixtrans-52.6-51.8-165.9550000113.8T45S42-T45 PolarHBondContact O-OG1 3.47Å
43G94Very high96.6Very high36 Ų3639.1 Ų39.137%0.37123%0.227SC..Hα-helixtrans-69.6-34.9178.500000113.7E41 S46 Q47E41-G43 PolarHBondContact O-N 2.94Å; G43-S46 PolarHBondContact O-OG 3.21Å; G43-Q47 WeakPolarHBondContact O-CB 3.43Å; G43-Q47 WeakPolarHBondContact O-CG 3.45Å; G43-Q47 PolarHBondContact O-N 3.42Å
44D96.6Very high96.7Very high38 Ų3842.4 Ų42.420%0.20324%0.244CC..Hα-helixtrans-70.7-37.1-177.4-68-3.5000111.3E41 S46 F48 Y90 F91 V92E41-D44 HydrophobicContact CB-CB 4.17Å; E41-D44 PolarHBondContact O-N 3.04Å; D44-S46 PolarHBondContact O-N 2.97Å; D44-F48 WeakPolarHBondContact O-CB 3.49Å; D44-F48 PolarHBondContact O-N 2.92Å; D44-Y90 HydrophobicContact CB-CD1 3.98Å; D44-F91 PolarHBondContact OD2-N 2.87Å; D44-V92 HydrophobicContact CB-CG1 3.74Å
45T96.4Very high96.6Very high28 Ų2844.9 Ų44.917%0.17226%0.257CS..Hα-helixtrans-59.1-49.3-177.857.20000112.5V38 G40 E41 S42 S49 V92V38-T45 HydrophobicContact CG1-CG2 4.07Å; G40-T45 VanDerWaalsContact N-CG2 3.34Å; E41-T45 WeakPolarHBondContact O-CG2 3.49Å; E41-T45 PolarHBondContact O-N 2.84Å; S42-T45 PolarHBondContact O-OG1 3.47Å; T45-S49 WeakPolarHBondContact O-CB 3.02Å; T45-S49 PolarHBondContact O-N 3.35Å; T45-S49 PolarHBondContact O-OG 3.45Å; T45-V92 HydrophobicContact CG2-CG1 4.02Å
46S95.2Very high96.5Very high44 Ų4445.2 Ų45.231%0.30826%0.259SS..Hα-helixtrans-70.5-47.9179.359.70000111.3G43 D44 F48 S49 E50G43-S46 PolarHBondContact O-OG 3.21Å; D44-S46 PolarHBondContact O-N 2.97Å; S46-F48 PolarHBondContact O-N 2.67Å; S46-S49 PolarHBondContact O-N 2.67Å; S46-E50 WeakPolarHBondContact O-CB 3.48Å; S46-E50 WeakPolarHBondContact O-CG 3.2Å; S46-E50 PolarHBondContact O-N 2.95Å
47Q96.3Very high96.4Very high118 Ų11849.3 Ų49.355%0.55128%0.278SS*.Hα-helixtrans-61.1-48.2-176.3-68.1-73.125.600112.3G43 F51 Y90G43-Q47 WeakPolarHBondContact O-CB 3.43Å; G43-Q47 WeakPolarHBondContact O-CG 3.45Å; G43-Q47 PolarHBondContact O-N 3.42Å; Q47-F51 VanDerWaalsContact O-CB 3.25Å; Q47-F51 WeakPolarHBondContact O-CB 3.36Å; Q47-F51 PolarHBondContact O-N 3.42Å; Q47-Y90 HydrophobicContact CB-CE1 4.46Å
48F97.2Very high96.4Very high1 Ų152 Ų520%0.00429%0.291CS..Hα-helixtrans-66.7-43.7-180-175-104.3000111.3D44 S46 F51 I52 T76 N79 M80 Y90 V92 L94D44-F48 WeakPolarHBondContact O-CB 3.49Å; D44-F48 PolarHBondContact O-N 2.92Å; S46-F48 PolarHBondContact O-N 2.67Å; F48-F51 PolarHBondContact O-N 2.84Å; F48-I52 HydrophobicContact CD1-CG1 4.2Å; F48-I52 HydrophobicContact CD2-CG1 4.46Å; F48-I52 HydrophobicContact CE1-CD1 4.46Å; F48-I52 HydrophobicContact CE1-CG1 3.85Å; F48-I52 HydrophobicContact CE2-CD1 4.16Å; F48-I52 HydrophobicContact CE2-CG1 4.13Å; F48-I52 HydrophobicContact CZ-CD1 3.94Å; F48-I52 HydrophobicContact CZ-CG1 3.81Å; F48-I52 VanDerWaalsContact O-CG1 3.27Å; F48-I52 WeakPolarHBondContact O-CG1 3.36Å; F48-I52 PolarHBondContact O-N 2.9Å; F48-T76 HydrophobicContact CE1-CG2 3.72Å; F48-T76 HydrophobicContact CZ-CG2 3.95Å; F48-N79 HydrophobicContact CE2-CB 4.3Å; F48-M80 HydrophobicContact CE1-CE 4.18Å; F48-M80 HydrophobicContact CE2-CB 4.37Å; F48-M80 HydrophobicContact CZ-CB 3.92Å; F48-M80 HydrophobicContact CZ-CE 4.28Å; F48-M80 HydrophobicContact CZ-CG 4.39Å; F48-Y90 HydrophobicContact CB-CD1 3.97Å; F48-Y90 HydrophobicContact CB-CE1 4.28Å; F48-Y90 HydrophobicContact CB-CG 4.1Å; F48-Y90 HydrophobicContact CD2-CD1 4.36Å; F48-Y90 AromaticContact CD2-CD2 3.41Å; F48-Y90 HydrophobicContact CD2-CD2 3.41Å; F48-Y90 VanDerWaalsContact CD2-CD2 3.41Å; F48-Y90 AromaticContact CD2-CE2 3.75Å; F48-Y90 HydrophobicContact CD2-CE2 3.75Å; F48-Y90 AromaticContact CD2-CG 3.75Å; F48-Y90 HydrophobicContact CD2-CG 3.75Å; F48-Y90 AromaticContact CE2-CD2 3.98Å; F48-Y90 HydrophobicContact CE2-CD2 3.98Å; F48-Y90 HydrophobicContact CE2-CE2 4.42Å; F48-Y90 HydrophobicContact CG-CD2 4.3Å; F48-Y90 HydrophobicContact CG-CG 4.2Å; F48-V92 HydrophobicContact CB-CG1 4.48Å; F48-V92 HydrophobicContact CB-CG2 4.46Å; F48-V92 HydrophobicContact CD1-CG2 3.68Å; F48-V92 HydrophobicContact CE1-CG2 4.09Å; F48-V92 HydrophobicContact CG-CG2 4.09Å; F48-L94 HydrophobicContact CD1-CD1 4.38Å; F48-L94 HydrophobicContact CD1-CD2 4.38Å; F48-L94 HydrophobicContact CE1-CD1 4Å; F48-L94 HydrophobicContact CE1-CD2 4.15Å
49S97Very high96.4Very high0 Ų055.3 Ų55.30%030%0.303CS..Hα-helixtrans-65.9-42.4-177.8-54.90000112.5F28 V38 T45 S46 I52 Q53F28-S49 VanDerWaalsContact CG-CB 3.44Å; V38-S49 VanDerWaalsContact CG2-OG 3.29Å; V38-S49 WeakPolarHBondContact CG2-OG 3.15Å; T45-S49 WeakPolarHBondContact O-CB 3.02Å; T45-S49 PolarHBondContact O-N 3.35Å; T45-S49 PolarHBondContact O-OG 3.45Å; S46-S49 PolarHBondContact O-N 2.67Å; S49-I52 PolarHBondContact O-N 2.92Å; S49-Q53 VanDerWaalsContact O-CB 3.24Å; S49-Q53 WeakPolarHBondContact O-CB 3.43Å; S49-Q53 PolarHBondContact O-N 3.44Å
50E97.3Very high96.3Very high83 Ų8355.2 Ų55.239%0.38830%0.298SS..Hα-helixtrans-66.1-42176-72.6178.8-164.100111.6F28 S46 I52 Q53 Q54F28-E50 HydrophobicContact CE1-CG 4.22Å; S46-E50 WeakPolarHBondContact O-CB 3.48Å; S46-E50 WeakPolarHBondContact O-CG 3.2Å; S46-E50 PolarHBondContact O-N 2.95Å; E50-I52 VanDerWaalsContact C-N 3.34Å; E50-I52 PolarHBondContact O-N 3.17Å; E50-Q53 PolarHBondContact O-N 2.89Å; E50-Q54 WeakPolarHBondContact O-CB 3.28Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.28Å; E50-Q54 PolarHBondContact O-N 3.12Å
51F97.1Very high96.3Very high76 Ų7659.7 Ų59.733%0.33331%0.309SS..Hα-helixtrans-57.1-48.1174.8168.7-99.6000111.6Q47 F48 N55 N79Q47-F51 VanDerWaalsContact O-CB 3.25Å; Q47-F51 WeakPolarHBondContact O-CB 3.36Å; Q47-F51 PolarHBondContact O-N 3.42Å; F48-F51 PolarHBondContact O-N 2.84Å; F51-N55 VanDerWaalsContact CE2-ND2 3.27Å; F51-N55 WeakPolarHBondContact CE2-ND2 3.31Å; F51-N55 WeakPolarHBondContact CZ-ND2 3.2Å; F51-N55 PolarHBondContact O-N 2.74Å; F51-N55 PolarHBondContact O-ND2 3.26Å; F51-N79 HydrophobicContact CE1-CB 4.29Å; F51-N79 WeakPolarHBondContact CE1-OD1 3.41Å
52I97.6Very high96.4Very high0 Ų063.5 Ų63.50%032%0.319CS..Hα-helixtrans-65.4-46.1178.6-65-62.6000110.8F30 F48 S49 E50 Q54 N55 M56 F75 T76 N79F30-I52 HydrophobicContact CD1-CG2 4.35Å; F30-I52 HydrophobicContact CD2-CG2 3.97Å; F30-I52 HydrophobicContact CE1-CB 4.11Å; F30-I52 HydrophobicContact CE1-CG2 3.86Å; F30-I52 HydrophobicContact CE2-CB 4.37Å; F30-I52 HydrophobicContact CE2-CG2 3.43Å; F30-I52 VanDerWaalsContact CE2-CG2 3.43Å; F30-I52 HydrophobicContact CG-CG2 4.41Å; F30-I52 HydrophobicContact CZ-CB 3.82Å; F30-I52 HydrophobicContact CZ-CG2 3.37Å; F48-I52 HydrophobicContact CD1-CG1 4.2Å; F48-I52 HydrophobicContact CD2-CG1 4.46Å; F48-I52 HydrophobicContact CE1-CD1 4.46Å; F48-I52 HydrophobicContact CE1-CG1 3.85Å; F48-I52 HydrophobicContact CE2-CD1 4.16Å; F48-I52 HydrophobicContact CE2-CG1 4.13Å; F48-I52 HydrophobicContact CZ-CD1 3.94Å; F48-I52 HydrophobicContact CZ-CG1 3.81Å; F48-I52 VanDerWaalsContact O-CG1 3.27Å; F48-I52 WeakPolarHBondContact O-CG1 3.36Å; F48-I52 PolarHBondContact O-N 2.9Å; S49-I52 PolarHBondContact O-N 2.92Å; E50-I52 VanDerWaalsContact C-N 3.34Å; E50-I52 PolarHBondContact O-N 3.17Å; I52-Q54 PolarHBondContact O-N 3.27Å; I52-N55 PolarHBondContact O-N 3.2Å; I52-M56 HydrophobicContact CG2-CE 3.5Å; I52-M56 HydrophobicContact CG2-CG 4.45Å; I52-M56 HydrophobicContact CG2-SD 4.22Å; I52-M56 WeakPolarHBondContact O-CG 3.42Å; I52-M56 PolarHBondContact O-N 3.36Å; I52-F75 HydrophobicContact CD1-CD1 4.29Å; I52-F75 HydrophobicContact CD1-CE1 3.95Å; I52-T76 HydrophobicContact CD1-CG2 4.39Å; I52-T76 HydrophobicContact CG1-CG2 4.25Å; I52-T76 HydrophobicContact CG2-CG2 4.43Å; I52-N79 HydrophobicContact CD1-CB 3.96Å
53Q96.9Very high96.7Very high43 Ų4362.8 Ų62.820%0.20131%0.308CS..Hα-helixtrans-55.5-48.5177.9176.8177.750.500112K29 F30 S49 E50 N55 M56 Q57K29-Q53 WeakPolarHBondContact O-CG 3.44Å; K29-Q53 PolarHBondContact O-NE2 3.01Å; F30-Q53 HydrophobicContact CD1-CB 4.07Å; F30-Q53 HydrophobicContact CE1-CB 4.35Å; S49-Q53 VanDerWaalsContact O-CB 3.24Å; S49-Q53 WeakPolarHBondContact O-CB 3.43Å; S49-Q53 PolarHBondContact O-N 3.44Å; E50-Q53 PolarHBondContact O-N 2.89Å; Q53-N55 PolarHBondContact O-N 3.02Å; Q53-M56 PolarHBondContact O-N 2.84Å; Q53-Q57 WeakPolarHBondContact O-CG 3.39Å; Q53-Q57 PolarHBondContact O-N 3.44Å
54Q97.5Very high96.7Very high114 Ų11464.3 Ų64.353%0.53332%0.324SS..Hα-helixtrans-64.2-39.7-179.6-71.9172.2-0.600112.2E50 I52 M56 Q57 L58E50-Q54 WeakPolarHBondContact O-CB 3.28Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.28Å; E50-Q54 PolarHBondContact O-N 3.12Å; I52-Q54 PolarHBondContact O-N 3.27Å; Q54-M56 VanDerWaalsContact C-N 3.35Å; Q54-Q57 PolarHBondContact O-N 2.7Å; Q54-L58 VanDerWaalsContact O-CB 3.28Å; Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 PolarHBondContact O-N 2.72Å
55N97.5Very high96.6Very high54 Ų5468.8 Ų68.829%0.28934%0.339SS..Hα-helixtrans-65.8-37.5176.4-83.6-82.1000112.2F51 I52 Q53 L58 Y59 F75F51-N55 VanDerWaalsContact CE2-ND2 3.27Å; F51-N55 WeakPolarHBondContact CE2-ND2 3.31Å; F51-N55 WeakPolarHBondContact CZ-ND2 3.2Å; F51-N55 PolarHBondContact O-N 2.74Å; F51-N55 PolarHBondContact O-ND2 3.26Å; I52-N55 PolarHBondContact O-N 3.2Å; Q53-N55 PolarHBondContact O-N 3.02Å; N55-L58 PolarHBondContact O-N 3.42Å; N55-Y59 WeakPolarHBondContact O-CB 3.42Å; N55-Y59 PolarHBondContact O-N 3.21Å; N55-F75 HydrophobicContact CB-CE1 3.77Å; N55-F75 HydrophobicContact CB-CZ 3.72Å
56M96Very high96.4Very high8 Ų869 Ų694%0.03934%0.339CS..Hα-helixtrans-69.1-42.3176.3-68.1-170.1-177.500112.1F30 I52 Q53 Q54 L58 Y59 E60 L67 A72 F75 T76F30-M56 HydrophobicContact CB-SD 3.42Å; F30-M56 WeakPolarHBondContact CB-SD 3.46Å; F30-M56 HydrophobicContact CD2-CE 3.58Å; F30-M56 HydrophobicContact CD2-SD 3.54Å; F30-M56 VanDerWaalsContact CD2-SD 3.54Å; F30-M56 HydrophobicContact CE2-CE 4.05Å; F30-M56 HydrophobicContact CE2-SD 4.46Å; F30-M56 HydrophobicContact CG-CE 4.25Å; F30-M56 HydrophobicContact CG-SD 3.6Å; F30-M56 VanDerWaalsContact O-CB 3.32Å; F30-M56 WeakPolarHBondContact O-CB 3.48Å; I52-M56 HydrophobicContact CG2-CE 3.5Å; I52-M56 HydrophobicContact CG2-CG 4.45Å; I52-M56 HydrophobicContact CG2-SD 4.22Å; I52-M56 WeakPolarHBondContact O-CG 3.42Å; I52-M56 PolarHBondContact O-N 3.36Å; Q53-M56 PolarHBondContact O-N 2.84Å; Q54-M56 VanDerWaalsContact C-N 3.35Å; M56-L58 VanDerWaalsContact C-N 3.33Å; M56-L58 PolarHBondContact O-N 3.16Å; M56-Y59 WeakPolarHBondContact O-CB 3.25Å; M56-Y59 PolarHBondContact O-N 2.69Å; M56-E60 PolarHBondContact O-N 3.02Å; M56-L67 HydrophobicContact CG-CD1 4.22Å; M56-A72 HydrophobicContact CE-CB 3.47Å; M56-A72 VanDerWaalsContact CE-CB 3.47Å; M56-A72 VanDerWaalsContact CE-O 3.3Å; M56-A72 WeakPolarHBondContact CE-O 3.23Å; M56-A72 HydrophobicContact SD-CB 3.9Å; M56-F75 HydrophobicContact CE-CD1 4.07Å; M56-T76 WeakPolarHBondContact CE-OG1 3.46Å
57Q95.7Very high96.4Very high87 Ų8768.2 Ų68.241%0.40733%0.33SS..Hα-helixtrans-61.4-42.3173-71.4177.13.900111.6Q53 Q54 Y59 E60 I61Q53-Q57 WeakPolarHBondContact O-CG 3.39Å; Q53-Q57 PolarHBondContact O-N 3.44Å; Q54-Q57 PolarHBondContact O-N 2.7Å; Q57-Y59 VanDerWaalsContact C-N 3.3Å; Q57-Y59 PolarHBondContact O-N 2.96Å; Q57-E60 PolarHBondContact O-N 3.35Å; Q57-I61 VanDerWaalsContact O-CG1 3.31Å; Q57-I61 WeakPolarHBondContact O-CG1 3.37Å; Q57-I61 PolarHBondContact O-N 2.66Å
58L97.6Very high96.4Very high67 Ų6765.6 Ų65.635%0.35132%0.323SS..Hα-helixtrans-61-40.4174.9179.662000111.7Q54 N55 M56 I61 R62Q54-L58 VanDerWaalsContact O-CB 3.28Å; Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 PolarHBondContact O-N 2.72Å; N55-L58 PolarHBondContact O-N 3.42Å; M56-L58 VanDerWaalsContact C-N 3.33Å; M56-L58 PolarHBondContact O-N 3.16Å; L58-I61 PolarHBondContact O-N 2.84Å; L58-R62 HydrophobicContact CD1-CG 4.2Å; L58-R62 WeakPolarHBondContact O-CB 3.48Å; L58-R62 VanDerWaalsContact O-CG 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.45Å; L58-R62 PolarHBondContact O-N 3.01Å
59Y97.2Very high96.4Very high78 Ų7865.6 Ų65.631%0.30632%0.323SS..Hα-helixtrans-62.1-45.7174.9-173.8-79.7000111.6N55 M56 Q57 I61 R62 N63 Y65 L67N55-Y59 WeakPolarHBondContact O-CB 3.42Å; N55-Y59 PolarHBondContact O-N 3.21Å; M56-Y59 WeakPolarHBondContact O-CB 3.25Å; M56-Y59 PolarHBondContact O-N 2.69Å; Q57-Y59 VanDerWaalsContact C-N 3.3Å; Q57-Y59 PolarHBondContact O-N 2.96Å; Y59-I61 PolarHBondContact O-N 3Å; Y59-R62 PolarHBondContact O-N 2.9Å; Y59-N63 HydrophobicContact CD1-CB 4.5Å; Y59-N63 WeakPolarHBondContact CD2-ND2 3.5Å; Y59-N63 HydrophobicContact CE1-CB 4.15Å; Y59-N63 WeakPolarHBondContact CE1-ND2 3.27Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.37Å; Y59-N63 WeakPolarHBondContact O-CB 3.07Å; Y59-N63 PolarHBondContact O-N 3.35Å; Y59-N63 PolarHBondContact O-ND2 3.3Å; Y59-Y65 HydrophobicContact CE1-CD2 4.25Å; Y59-Y65 AromaticContact CE1-CE2 3.73Å; Y59-Y65 HydrophobicContact CE1-CE2 3.73Å; Y59-Y65 PolarHBondContact OH-OH 2.94Å; Y59-L67 HydrophobicContact CD1-CD1 4.39Å; Y59-L67 HydrophobicContact CD1-CD2 3.67Å; Y59-L67 HydrophobicContact CD1-CG 3.63Å; Y59-L67 HydrophobicContact CD2-CD2 4.17Å; Y59-L67 HydrophobicContact CE1-CD2 3.34Å; Y59-L67 HydrophobicContact CE1-CG 3.82Å; Y59-L67 HydrophobicContact CE2-CD2 3.87Å; Y59-L67 HydrophobicContact CG-CD1 4.29Å; Y59-L67 HydrophobicContact CG-CD2 4.07Å; Y59-L67 HydrophobicContact CG-CG 4.02Å; Y59-L67 VanDerWaalsContact CZ-CD2 3.44Å
60E96Very high96.4Very high42 Ų4267.8 Ų67.820%0.19634%0.338CS..Hα-helixtrans-59.9-45.4177.4-174.8179.7175.100111.2K32 M56 Q57 R62 G64 Y65K32-E60 WeakPolarHBondContact CE-OE1 3.39Å; K32-E60 IonicContact NZ-OE1 3.64Å; K32-E60 PolarHBondContact NZ-OE1 2.87Å; M56-E60 PolarHBondContact O-N 3.02Å; Q57-E60 PolarHBondContact O-N 3.35Å; E60-R62 PolarHBondContact O-N 3.35Å; E60-G64 VanDerWaalsContact O-CA 3.31Å; E60-G64 WeakPolarHBondContact O-CA 3.45Å; E60-G64 PolarHBondContact O-N 3.17Å; E60-Y65 WeakPolarHBondContact CA-O 3.39Å
61I96.8Very high96.4Very high141 Ų14165.6 Ų65.672%0.72333%0.334SS*.Hα-helixtrans-64.1-42.1178.8-66.8166.1000111.5Q57 L58 Y59Q57-I61 VanDerWaalsContact O-CG1 3.31Å; Q57-I61 WeakPolarHBondContact O-CG1 3.37Å; Q57-I61 PolarHBondContact O-N 2.66Å; L58-I61 PolarHBondContact O-N 2.84Å; Y59-I61 PolarHBondContact O-N 3Å
62R97.4Very high96.5Very high187 Ų18762 Ų6271%0.70632%0.318SS*.Hα-helixtrans-71.3-38.9-177.4-77.8179176.3176.11.4113.3L58 Y59 E60L58-R62 HydrophobicContact CD1-CG 4.2Å; L58-R62 WeakPolarHBondContact O-CB 3.48Å; L58-R62 VanDerWaalsContact O-CG 3.32Å; L58-R62 WeakPolarHBondContact O-CG 3.45Å; L58-R62 PolarHBondContact O-N 3.01Å; Y59-R62 PolarHBondContact O-N 2.9Å; E60-R62 PolarHBondContact O-N 3.35Å
63N96.8Very high96.5Very high73 Ų7362 Ų6239%0.3932%0.318SS..Hα-helixtrans-103.4-14.4-171.6-60-72000113.5Y59 Y65Y59-N63 HydrophobicContact CD1-CB 4.5Å; Y59-N63 WeakPolarHBondContact CD2-ND2 3.5Å; Y59-N63 HydrophobicContact CE1-CB 4.15Å; Y59-N63 WeakPolarHBondContact CE1-ND2 3.27Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.37Å; Y59-N63 WeakPolarHBondContact O-CB 3.07Å; Y59-N63 PolarHBondContact O-N 3.35Å; Y59-N63 PolarHBondContact O-ND2 3.3Å; N63-Y65 VanDerWaalsContact C-N 3.31Å; N63-Y65 HydrophobicContact CB-CD1 4.01Å; N63-Y65 HydrophobicContact CB-CE1 3.61Å; N63-Y65 WeakPolarHBondContact O-CD1 3.48Å
64G94.6Very high96.5Very high69 Ų6962.8 Ų62.871%0.71132%0.324SS*.SBendtrans79.37.6-179.700000114.7E60E60-G64 VanDerWaalsContact O-CA 3.31Å; E60-G64 WeakPolarHBondContact O-CA 3.45Å; E60-G64 PolarHBondContact O-N 3.17Å
65Y93.5Very high96.6Very high131 Ų13160.4 Ų60.451%0.51431%0.312SS..SBendtrans-146151.9176.760.4-93.1000110.9Y59 E60 N63Y59-Y65 HydrophobicContact CE1-CD2 4.25Å; Y59-Y65 AromaticContact CE1-CE2 3.73Å; Y59-Y65 HydrophobicContact CE1-CE2 3.73Å; Y59-Y65 PolarHBondContact OH-OH 2.94Å; E60-Y65 WeakPolarHBondContact CA-O 3.39Å; N63-Y65 VanDerWaalsContact C-N 3.31Å; N63-Y65 HydrophobicContact CB-CD1 4.01Å; N63-Y65 HydrophobicContact CB-CE1 3.61Å; N63-Y65 WeakPolarHBondContact O-CD1 3.48Å
66E93.6Very high96.6Very high34 Ų3457.9 Ų57.916%0.15930%0.298CS..PPolyproline II helixtrans-79.4154.5177.768.9-176.7153.800112.4S31 K32 R33S31-E66 VanDerWaalsContact CB-OE2 3.28Å; S31-E66 WeakPolarHBondContact CB-OE2 3.3Å; S31-E66 PolarHBondContact OG-OE2 3.18Å; K32-E66 PolarHBondContact N-OE2 3.24Å; R33-E66 IonicContact CZ-OE1 2.69Å; R33-E66 PolarHBondContact N-OE2 3.39Å; R33-E66 IonicContact NE-OE1 2.7Å; R33-E66 PolarHBondContact NE-OE1 2.83Å; R33-E66 IonicContact NH2-OE1 3.02Å; R33-E66 PolarHBondContact NH2-OE1 2.84Å
67L94.8Very high96.7Very high26 Ų2661.2 Ų61.214%0.13631%0.31CS..PPolyproline II helixtrans-66.5144.4171.7-71.1173.3000110.8M56 Y59 A71 A72M56-L67 HydrophobicContact CG-CD1 4.22Å; Y59-L67 HydrophobicContact CD1-CD1 4.39Å; Y59-L67 HydrophobicContact CD1-CD2 3.67Å; Y59-L67 HydrophobicContact CD1-CG 3.63Å; Y59-L67 HydrophobicContact CD2-CD2 4.17Å; Y59-L67 HydrophobicContact CE1-CD2 3.34Å; Y59-L67 HydrophobicContact CE1-CG 3.82Å; Y59-L67 HydrophobicContact CE2-CD2 3.87Å; Y59-L67 HydrophobicContact CG-CD1 4.29Å; Y59-L67 HydrophobicContact CG-CD2 4.07Å; Y59-L67 HydrophobicContact CG-CG 4.02Å; Y59-L67 VanDerWaalsContact CZ-CD2 3.44Å; L67-A71 HydrophobicContact CB-CB 4.29Å; L67-A71 HydrophobicContact CD2-CB 4.03Å; L67-A72 HydrophobicContact CB-CB 4.37Å
68T96.2Very high96.8Very high63 Ų6360.3 Ų60.339%0.38731%0.308SS..PPolyproline II helixtrans-64.3154167.764.30000110.1S70 A71 A72T68-S70 VanDerWaalsContact C-N 3.26Å; T68-S70 PolarHBondContact O-N 2.84Å; T68-A71 PolarHBondContact O-N 3.01Å; T68-A71 WeakPolarHBondContact OG1-CB 3.22Å; T68-A71 PolarHBondContact OG1-N 3.29Å; T68-A72 WeakPolarHBondContact O-CB 3.41Å; T68-A72 PolarHBondContact O-N 3.22Å
69P97.3Very high96.7Very high2 Ų258.6 Ų58.61%0.01330%0.3CS..Hα-helixtrans-54.2-42.1177.7-24.533.6000112.7V34 A71 A72 A73 D100 E106 Y108V34-P69 HydrophobicContact CG2-CB 4.42Å; V34-P69 HydrophobicContact CG2-CG 4.23Å; P69-A71 PolarHBondContact O-N 2.95Å; P69-A72 PolarHBondContact O-N 3.35Å; P69-A73 VanDerWaalsContact O-CB 3.27Å; P69-A73 WeakPolarHBondContact O-CB 3.4Å; P69-A73 PolarHBondContact O-N 3.37Å; P69-D100 HydrophobicContact CG-CB 4.26Å; P69-E106 HydrophobicContact CB-CB 4.2Å; P69-Y108 HydrophobicContact CB-CE2 4.39Å
70S97.6Very high96.6Very high45 Ų4554.9 Ų54.932%0.31529%0.285SS..Hα-helixtrans-58.9-44.4173.1-176.20000113.7T68 A73 N74 E106 Y108T68-S70 VanDerWaalsContact C-N 3.26Å; T68-S70 PolarHBondContact O-N 2.84Å; S70-A73 PolarHBondContact O-N 3.41Å; S70-N74 WeakPolarHBondContact O-CB 3.43Å; S70-N74 PolarHBondContact O-N 3.35Å; S70-N74 PolarHBondContact O-ND2 2.86Å; S70-E106 PolarHBondContact N-OE2 3.2Å; S70-Y108 WeakPolarHBondContact CA-OH 3.49Å; S70-Y108 VanDerWaalsContact CB-OH 3.22Å; S70-Y108 WeakPolarHBondContact CB-OH 3.38Å; S70-Y108 PolarHBondContact OG-OH 3.31Å
71A97.4Very high96.7Very high37 Ų3754.6 Ų54.631%0.30629%0.29SS..Hα-helixtrans-68-41.7177.900000111.3L67 T68 P69 A73 N74 F75L67-A71 HydrophobicContact CB-CB 4.29Å; L67-A71 HydrophobicContact CD2-CB 4.03Å; T68-A71 PolarHBondContact O-N 3.01Å; T68-A71 WeakPolarHBondContact OG1-CB 3.22Å; T68-A71 PolarHBondContact OG1-N 3.29Å; P69-A71 PolarHBondContact O-N 2.95Å; A71-A73 PolarHBondContact O-N 2.84Å; A71-N74 PolarHBondContact O-N 3.4Å; A71-F75 WeakPolarHBondContact O-CB 3.33Å; A71-F75 PolarHBondContact O-N 3.49Å
72A97.9Very high96.7Very high0 Ų054.9 Ų54.90%029%0.288CS..Hα-helixtrans-60.2-44.7175.100000111.8V34 M56 L67 T68 P69 F75 T76V34-A72 HydrophobicContact CG1-CB 4.04Å; V34-A72 HydrophobicContact CG2-CB 4.44Å; M56-A72 HydrophobicContact CE-CB 3.47Å; M56-A72 VanDerWaalsContact CE-CB 3.47Å; M56-A72 VanDerWaalsContact CE-O 3.3Å; M56-A72 WeakPolarHBondContact CE-O 3.23Å; M56-A72 HydrophobicContact SD-CB 3.9Å; L67-A72 HydrophobicContact CB-CB 4.37Å; T68-A72 WeakPolarHBondContact O-CB 3.41Å; T68-A72 PolarHBondContact O-N 3.22Å; P69-A72 PolarHBondContact O-N 3.35Å; A72-F75 PolarHBondContact O-N 2.87Å; A72-T76 WeakPolarHBondContact O-CB 3.32Å; A72-T76 PolarHBondContact O-N 2.87Å; A72-T76 PolarHBondContact O-OG1 3.26Å
73A98.1Very high96.5Very high0 Ų046.5 Ų46.50%026%0.259CS..Hα-helixtrans-63.5-44.8177.200000112.4P69 S70 A71 T76 R77 I96 Y108 L116P69-A73 VanDerWaalsContact O-CB 3.27Å; P69-A73 WeakPolarHBondContact O-CB 3.4Å; P69-A73 PolarHBondContact O-N 3.37Å; S70-A73 PolarHBondContact O-N 3.41Å; A71-A73 PolarHBondContact O-N 2.84Å; A73-T76 PolarHBondContact O-N 2.97Å; A73-R77 WeakPolarHBondContact O-CB 2.96Å; A73-R77 PolarHBondContact O-N 2.81Å; A73-I96 HydrophobicContact CB-CD1 4.15Å; A73-Y108 HydrophobicContact CB-CD1 3.99Å; A73-Y108 HydrophobicContact CB-CD2 3.86Å; A73-Y108 HydrophobicContact CB-CE1 4.34Å; A73-Y108 HydrophobicContact CB-CE2 4.24Å; A73-Y108 HydrophobicContact CB-CG 3.73Å; A73-L116 HydrophobicContact CB-CD1 4.11Å; A73-L116 HydrophobicContact CB-CD2 3.98Å
74N98.2Very high96.4Very high61 Ų6146 Ų4633%0.32626%0.256SS..Hα-helixtrans-68.5-38.1177.4-81.5-72.6000113.1S70 A71 T76 R77 N78S70-N74 WeakPolarHBondContact O-CB 3.43Å; S70-N74 PolarHBondContact O-N 3.35Å; S70-N74 PolarHBondContact O-ND2 2.86Å; A71-N74 PolarHBondContact O-N 3.4Å; N74-T76 VanDerWaalsContact C-N 3.35Å; N74-R77 PolarHBondContact O-N 2.64Å; N74-N78 WeakPolarHBondContact O-CB 3.38Å; N74-N78 PolarHBondContact O-N 3.5Å; N74-N78 PolarHBondContact O-ND2 3.25Å
75F97.9Very high96.4Very high64 Ų6454 Ų5428%0.28126%0.264SS..Hα-helixtrans-60.7-46.2173.6176.1-102000111.1I52 N55 M56 A71 A72 N78 N79I52-F75 HydrophobicContact CD1-CD1 4.29Å; I52-F75 HydrophobicContact CD1-CE1 3.95Å; N55-F75 HydrophobicContact CB-CE1 3.77Å; N55-F75 HydrophobicContact CB-CZ 3.72Å; M56-F75 HydrophobicContact CE-CD1 4.07Å; A71-F75 WeakPolarHBondContact O-CB 3.33Å; A71-F75 PolarHBondContact O-N 3.49Å; A72-F75 PolarHBondContact O-N 2.87Å; F75-N78 PolarHBondContact O-N 3.01Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.31Å; F75-N79 VanDerWaalsContact CE2-ND2 3.34Å; F75-N79 WeakPolarHBondContact CE2-ND2 3.37Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.46Å; F75-N79 PolarHBondContact O-N 3.03Å; F75-N79 VanDerWaalsContact O-N 3.16Å; F75-N79 PolarHBondContact O-ND2 3.28Å
76T98Very high96.4Very high0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-60.9-46.8177.1-530000111.2F48 I52 M56 A72 A73 N74 N78 N79 M80 L94 I96 L110F48-T76 HydrophobicContact CE1-CG2 3.72Å; F48-T76 HydrophobicContact CZ-CG2 3.95Å; I52-T76 HydrophobicContact CD1-CG2 4.39Å; I52-T76 HydrophobicContact CG1-CG2 4.25Å; I52-T76 HydrophobicContact CG2-CG2 4.43Å; M56-T76 WeakPolarHBondContact CE-OG1 3.46Å; A72-T76 WeakPolarHBondContact O-CB 3.32Å; A72-T76 PolarHBondContact O-N 2.87Å; A72-T76 PolarHBondContact O-OG1 3.26Å; A73-T76 PolarHBondContact O-N 2.97Å; N74-T76 VanDerWaalsContact C-N 3.35Å; T76-N78 PolarHBondContact O-N 3.18Å; T76-N79 PolarHBondContact O-N 3.43Å; T76-M80 PolarHBondContact O-N 3.09Å; T76-L94 HydrophobicContact CG2-CD2 4.08Å; T76-I96 HydrophobicContact CG2-CD1 4.06Å; T76-L110 HydrophobicContact CG2-CD2 3.83Å
77R97.9Very high96.4Very high78 Ų7860.8 Ų60.829%0.29430%0.296SS..Hα-helixtrans-57.5-44.6176-172-165.170.875.40.6112.4A73 N74 M80 A81 L110 A114 L116A73-R77 WeakPolarHBondContact O-CB 2.96Å; A73-R77 PolarHBondContact O-N 2.81Å; N74-R77 PolarHBondContact O-N 2.64Å; R77-M80 PolarHBondContact O-N 2.96Å; R77-A81 VanDerWaalsContact O-CB 3.31Å; R77-A81 WeakPolarHBondContact O-CB 3.21Å; R77-A81 PolarHBondContact O-N 3.49Å; R77-L110 HydrophobicContact CB-CD1 4.17Å; R77-L110 HydrophobicContact CB-CD2 4.47Å; R77-L110 HydrophobicContact CG-CD1 3.99Å; R77-A114 HydrophobicContact CG-CB 4.26Å; R77-A114 WeakPolarHBondContact CG-O 3.32Å; R77-L116 HydrophobicContact CB-CB 4.41Å; R77-L116 HydrophobicContact CB-CD2 4.32Å; R77-L116 VanDerWaalsContact CD-CB 3.41Å; R77-L116 HydrophobicContact CG-CB 3.98Å
78N97.3Very high96.3Very high68 Ų6863.7 Ų63.736%0.36432%0.319SS..Hα-helixtrans-62.7-48.7-179.4-73.4-14.8000111.7N74 F75 T76 M80 A81 E82N74-N78 WeakPolarHBondContact O-CB 3.38Å; N74-N78 PolarHBondContact O-N 3.5Å; N74-N78 PolarHBondContact O-ND2 3.25Å; F75-N78 PolarHBondContact O-N 3.01Å; T76-N78 PolarHBondContact O-N 3.18Å; N78-M80 VanDerWaalsContact C-N 3.29Å; N78-M80 PolarHBondContact O-N 3.31Å; N78-A81 PolarHBondContact O-N 3.48Å; N78-E82 WeakPolarHBondContact O-CG 3.39Å; N78-E82 PolarHBondContact O-N 3.31Å
79N96.7Very high96.2Very high31 Ų3162.4 Ų62.417%0.16631%0.312CS..Hα-helixtrans-60.9-39.5177.7-76.3-86.9000111.8F48 F51 I52 F75 T76 S83F48-N79 HydrophobicContact CE2-CB 4.3Å; F51-N79 HydrophobicContact CE1-CB 4.29Å; F51-N79 WeakPolarHBondContact CE1-OD1 3.41Å; I52-N79 HydrophobicContact CD1-CB 3.96Å; F75-N79 WeakPolarHBondContact CE1-ND2 3.31Å; F75-N79 VanDerWaalsContact CE2-ND2 3.34Å; F75-N79 WeakPolarHBondContact CE2-ND2 3.37Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.46Å; F75-N79 PolarHBondContact O-N 3.03Å; F75-N79 VanDerWaalsContact O-N 3.16Å; F75-N79 PolarHBondContact O-ND2 3.28Å; T76-N79 PolarHBondContact O-N 3.43Å; N79-S83 PolarHBondContact O-N 3.48Å
80M95.7Very high96.1Very high1 Ų165.8 Ų65.81%0.00533%0.325CS..Hα-helixtrans-66.5-45.2176.2-161.3-168.7-46.700112F48 T76 R77 N78 E82 S83 L84 V92 L94 L110 A114F48-M80 HydrophobicContact CE1-CE 4.18Å; F48-M80 HydrophobicContact CE2-CB 4.37Å; F48-M80 HydrophobicContact CZ-CB 3.92Å; F48-M80 HydrophobicContact CZ-CE 4.28Å; F48-M80 HydrophobicContact CZ-CG 4.39Å; T76-M80 PolarHBondContact O-N 3.09Å; R77-M80 PolarHBondContact O-N 2.96Å; N78-M80 VanDerWaalsContact C-N 3.29Å; N78-M80 PolarHBondContact O-N 3.31Å; M80-E82 VanDerWaalsContact C-N 3.31Å; M80-E82 PolarHBondContact O-N 3.08Å; M80-S83 PolarHBondContact O-N 2.98Å; M80-S83 VanDerWaalsContact O-N 3.13Å; M80-S83 PolarHBondContact O-OG 2.73Å; M80-L84 PolarHBondContact O-N 3.44Å; M80-V92 HydrophobicContact CE-CG2 4.37Å; M80-L94 HydrophobicContact CE-CD1 3.42Å; M80-L94 VanDerWaalsContact CE-CD1 3.42Å; M80-L110 HydrophobicContact CE-CD1 4.05Å; M80-L110 HydrophobicContact CE-CD2 3.39Å; M80-L110 HydrophobicContact CE-CG 3.46Å; M80-L110 VanDerWaalsContact CE-CG 3.46Å; M80-A114 HydrophobicContact CB-CB 3.99Å; M80-A114 HydrophobicContact CG-CB 4.21Å; M80-A114 HydrophobicContact SD-CB 4.1Å
81A97.1Very high96.1Very high36 Ų3668.8 Ų68.830%0.29833%0.332SS..Hα-helixtrans-62.7-36.8178.700000112.5R77 N78 A114R77-A81 VanDerWaalsContact O-CB 3.31Å; R77-A81 WeakPolarHBondContact O-CB 3.21Å; R77-A81 PolarHBondContact O-N 3.49Å; N78-A81 PolarHBondContact O-N 3.48Å; A81-A114 HydrophobicContact CB-CB 3.71Å
82E95.9Very high96.1Very high146 Ų14667 Ų6768%0.68232%0.318SS*.Hα-helixtrans-65.1-44.9172.1-74176.3-166.900111.3N78 M80 L84N78-E82 WeakPolarHBondContact O-CG 3.39Å; N78-E82 PolarHBondContact O-N 3.31Å; M80-E82 VanDerWaalsContact C-N 3.31Å; M80-E82 PolarHBondContact O-N 3.08Å; E82-L84 VanDerWaalsContact C-N 3.28Å; E82-L84 PolarHBondContact O-N 2.76Å
83S95Very high96.1Very high12 Ų1268.6 Ų68.68%0.08433%0.326CS..Hα-helixtrans-63.5-32.8177.681.40000112.9N79 M80 R85 S86 P89N79-S83 PolarHBondContact O-N 3.48Å; M80-S83 PolarHBondContact O-N 2.98Å; M80-S83 VanDerWaalsContact O-N 3.13Å; M80-S83 PolarHBondContact O-OG 2.73Å; S83-R85 PolarHBondContact O-N 3.12Å; S83-R85 VanDerWaalsContact O-N 3.14Å; S83-S86 VanDerWaalsContact O-CB 3.25Å; S83-S86 WeakPolarHBondContact O-CB 3.42Å; S83-S86 PolarHBondContact O-N 2.97Å; S83-S86 PolarHBondContact O-OG 2.95Å; S83-P89 WeakPolarHBondContact O-CA 3.48Å
84L94.6Very high96.1Very high63 Ų6368.6 Ų68.633%0.3333%0.326SS..Hα-helixtrans-59-30.5-173.9-175.662.8000113.3M80 E82 L113M80-L84 PolarHBondContact O-N 3.44Å; E82-L84 VanDerWaalsContact C-N 3.28Å; E82-L84 PolarHBondContact O-N 2.76Å; L84-L113 HydrophobicContact CD1-CD2 4.17Å; L84-L113 HydrophobicContact CD2-CD2 4.4Å
85R93.6Very high96.1Very high237 Ų23766.7 Ų66.789%0.89432%0.316SS*.THydrogen-bonded Turntrans-104.57.6177.4-61-174.8-175170.92.6113.3S83S83-R85 PolarHBondContact O-N 3.12Å; S83-R85 VanDerWaalsContact O-N 3.14Å
86S94.1Very high96.1Very high59 Ų5963.6 Ų63.641%0.41330%0.302SS..SBendtrans-84.2-178.3175.684.30000111.2S83 S88S83-S86 VanDerWaalsContact O-CB 3.25Å; S83-S86 WeakPolarHBondContact O-CB 3.42Å; S83-S86 PolarHBondContact O-N 2.97Å; S83-S86 PolarHBondContact O-OG 2.95Å; S86-S88 PolarHBondContact O-N 3.17Å; S86-S88 PolarHBondContact OG-N 2.8Å; S86-S88 PolarHBondContact OG-O 2.8Å
87R93.5Very high96.2Very high247 Ų24763.6 Ų63.693%0.93230%0.302SS*.SBendtrans-74.6-12.8172.6-65.8-177.367159.30.9113.4
88S91.7Very high96.1Very high87 Ų8759.9 Ų59.961%0.60829%0.288SS*.SBendtrans-13772.5-174.2-60.70000109.4S86S86-S88 PolarHBondContact O-N 3.17Å; S86-S88 PolarHBondContact OG-N 2.8Å; S86-S88 PolarHBondContact OG-O 2.8Å
89P94.6Very high96.2Very high37 Ų3757.5 Ų57.524%0.2428%0.275CS..  trans-67.4138.6174.830-34.7000110.3S83 F91S83-P89 WeakPolarHBondContact O-CA 3.48Å; P89-F91 HydrophobicContact CB-CE2 4.47Å; P89-F91 HydrophobicContact CG-CE2 3.82Å; P89-F91 HydrophobicContact CG-CZ 4.16Å
90Y96.2Very high96.1Very high72 Ų7256.8 Ų56.828%0.28227%0.271SS..  trans-83.9120.8172.6-67-70.7000110.5D44 Q47 F48 V92D44-Y90 HydrophobicContact CB-CD1 3.98Å; Q47-Y90 HydrophobicContact CB-CE1 4.46Å; F48-Y90 HydrophobicContact CB-CD1 3.97Å; F48-Y90 HydrophobicContact CB-CE1 4.28Å; F48-Y90 HydrophobicContact CB-CG 4.1Å; F48-Y90 HydrophobicContact CD2-CD1 4.36Å; F48-Y90 AromaticContact CD2-CD2 3.41Å; F48-Y90 HydrophobicContact CD2-CD2 3.41Å; F48-Y90 VanDerWaalsContact CD2-CD2 3.41Å; F48-Y90 AromaticContact CD2-CE2 3.75Å; F48-Y90 HydrophobicContact CD2-CE2 3.75Å; F48-Y90 AromaticContact CD2-CG 3.75Å; F48-Y90 HydrophobicContact CD2-CG 3.75Å; F48-Y90 AromaticContact CE2-CD2 3.98Å; F48-Y90 HydrophobicContact CE2-CD2 3.98Å; F48-Y90 HydrophobicContact CE2-CE2 4.42Å; F48-Y90 HydrophobicContact CG-CD2 4.3Å; F48-Y90 HydrophobicContact CG-CG 4.2Å; Y90-V92 PolarHBondContact O-N 2.93Å
91F96Very high96Very high108 Ų10862.4 Ų62.447%0.47430%0.3SS..  trans-91.172.8175.7-72.4-80.6000111.1G40 E41 D44 P89 Y112G40-F91 CarbonylContact C-O 3.58Å; G40-F91 VanDerWaalsContact CA-O 3.29Å; G40-F91 WeakPolarHBondContact CA-O 3.35Å; E41-F91 HydrophobicContact CB-CB 4.01Å; E41-F91 PolarHBondContact N-O 3.12Å; D44-F91 PolarHBondContact OD2-N 2.87Å; P89-F91 HydrophobicContact CB-CE2 4.47Å; P89-F91 HydrophobicContact CG-CE2 3.82Å; P89-F91 HydrophobicContact CG-CZ 4.16Å; F91-Y112 HydrophobicContact CD1-CD2 4.27Å
92V97.6Very high95.8Very high0 Ų069.5 Ų69.50%033%0.327CS..EExtended strand (participates in β ladder)trans-129144.5-176.3-64.30000111.7V38 D44 T45 F48 M80 Y90 L94 Y112V38-V92 HydrophobicContact CG1-CB 4.27Å; V38-V92 HydrophobicContact CG1-CG1 4.44Å; D44-V92 HydrophobicContact CB-CG1 3.74Å; T45-V92 HydrophobicContact CG2-CG1 4.02Å; F48-V92 HydrophobicContact CB-CG1 4.48Å; F48-V92 HydrophobicContact CB-CG2 4.46Å; F48-V92 HydrophobicContact CD1-CG2 3.68Å; F48-V92 HydrophobicContact CE1-CG2 4.09Å; F48-V92 HydrophobicContact CG-CG2 4.09Å; M80-V92 HydrophobicContact CE-CG2 4.37Å; Y90-V92 PolarHBondContact O-N 2.93Å; V92-L94 HydrophobicContact CB-CD1 4.25Å; V92-L94 HydrophobicContact CG2-CD1 3.79Å; V92-Y112 WeakPolarHBondContact O-CA 3.48Å; V92-Y112 WeakPolarHBondContact O-CB 3.38Å; V92-Y112 PolarHBondContact O-N 3.46Å
93N98.2Very high95.7Very high34 Ų3466.6 Ų66.618%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-118.5138.6171-63.4-78.1000108.3V38 C39 D111 Y112V38-N93 WeakPolarHBondContact CA-O 3.28Å; C39-N93 PolarHBondContact N-O 3.47Å; C39-N93 PolarHBondContact O-N 2.97Å; N93-D111 WeakPolarHBondContact OD1-CA 3.34Å; N93-Y112 PolarHBondContact OD1-N 2.98Å
94L98.2Very high95.8Very high0 Ų066.7 Ų66.70%032%0.322CS..EExtended strand (participates in β ladder)trans-131.5137.8-173.8-59.894.1000111.7F30 A36 A37 V38 F48 T76 M80 V92 I96 L110 H124F30-L94 HydrophobicContact CZ-CD2 4.37Å; A36-L94 HydrophobicContact CB-CD2 4.47Å; A37-L94 WeakPolarHBondContact O-CA 3.44Å; V38-L94 HydrophobicContact CB-CG 4.49Å; V38-L94 HydrophobicContact CG1-CD2 4.46Å; V38-L94 HydrophobicContact CG1-CG 4.16Å; V38-L94 HydrophobicContact CG2-CD2 3.6Å; V38-L94 HydrophobicContact CG2-CG 3.86Å; F48-L94 HydrophobicContact CD1-CD1 4.38Å; F48-L94 HydrophobicContact CD1-CD2 4.38Å; F48-L94 HydrophobicContact CE1-CD1 4Å; F48-L94 HydrophobicContact CE1-CD2 4.15Å; T76-L94 HydrophobicContact CG2-CD2 4.08Å; M80-L94 HydrophobicContact CE-CD1 3.42Å; M80-L94 VanDerWaalsContact CE-CD1 3.42Å; V92-L94 HydrophobicContact CB-CD1 4.25Å; V92-L94 HydrophobicContact CG2-CD1 3.79Å; L94-I96 HydrophobicContact CB-CG1 4.3Å; L94-L110 HydrophobicContact CB-CB 4.33Å; L94-L110 HydrophobicContact CD1-CD2 4.29Å; L94-L110 PolarHBondContact N-O 3.2Å; L94-L110 PolarHBondContact O-N 3.49Å; L94-H124 PolarHBondContact O-NE2 3.25Å
95L98.5Very high95.9Very high20 Ų2065.7 Ų65.711%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-102.9121.8156.1-59.9-176.1000108.4L7 A36 A37 L107 Y108 Y109 A122L7-L95 HydrophobicContact CD2-CB 4.05Å; L7-L95 HydrophobicContact CD2-CD1 4.33Å; A36-L95 CarbonylContact C-O 3.07Å; A36-L95 VanDerWaalsContact CA-O 3.27Å; A36-L95 WeakPolarHBondContact CA-O 3.45Å; A37-L95 HydrophobicContact CB-CB 4.49Å; A37-L95 PolarHBondContact N-O 2.92Å; A37-L95 PolarHBondContact O-N 2.94Å; L95-L107 HydrophobicContact CB-CD1 4.38Å; L95-Y108 WeakPolarHBondContact CA-O 3.39Å; L95-Y109 HydrophobicContact CD2-CD2 3.81Å; L95-Y109 HydrophobicContact CD2-CG 4.4Å; L95-A122 HydrophobicContact CD1-CB 4.47Å; L95-A122 HydrophobicContact CD2-CB 3.64Å
96I98.4Very high96.1Very high0 Ų055 Ų550%028%0.28CS..EExtended strand (participates in β ladder)trans-108.1108.5177.7-55.5172.1000107.4V34 A36 A73 T76 L94 Y108 L110V34-I96 HydrophobicContact CG1-CG2 3.79Å; A36-I96 HydrophobicContact CB-CG1 4.34Å; A73-I96 HydrophobicContact CB-CD1 4.15Å; T76-I96 HydrophobicContact CG2-CD1 4.06Å; L94-I96 HydrophobicContact CB-CG1 4.3Å; I96-Y108 PolarHBondContact N-O 3Å; I96-Y108 PolarHBondContact O-N 3.33Å; I96-L110 HydrophobicContact CD1-CD2 4.2Å
97A98.3Very high96.3Very high0 Ų053 Ų530%027%0.265CS..EExtended strand (participates in β ladder)trans-99.2136.2174.100000109.4V5 L7 V34 L35 E106 L107 V175V5-A97 HydrophobicContact CB-CB 3.94Å; V5-A97 HydrophobicContact CG1-CB 3.45Å; V5-A97 VanDerWaalsContact CG1-CB 3.45Å; L7-A97 HydrophobicContact CD1-CB 3.45Å; L7-A97 VanDerWaalsContact CD1-CB 3.45Å; L7-A97 HydrophobicContact CD2-CB 4.08Å; L7-A97 HydrophobicContact CG-CB 3.61Å; V34-A97 WeakPolarHBondContact CA-O 3.18Å; L35-A97 PolarHBondContact N-O 3.43Å; L35-A97 PolarHBondContact O-N 3.02Å; L35-A97 VanDerWaalsContact O-O 3.08Å; A97-E106 WeakPolarHBondContact CA-O 3.27Å; A97-L107 HydrophobicContact CB-CD1 4.29Å; A97-V175 HydrophobicContact CB-CG2 4.05Å
98G97.9Very high96.5Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-151.9169.3172.500000113.5R33 E106R33-G98 CarbonylContact O-C 3.57Å; R33-G98 WeakPolarHBondContact O-CA 3.29Å; G98-E106 PolarHBondContact N-O 3.34Å; G98-E106 PolarHBondContact O-N 2.9Å
99F97.7Very high96.9Very high17 Ų1741.3 Ų41.38%0.07521%0.208CC..EExtended strand (participates in β ladder)trans-125.9116.2173-165.7-74.5000109.8D3 R33 P105 V175 T176 K177D3-F99 HydrophobicContact CB-CE2 3.7Å; D3-F99 HydrophobicContact CB-CZ 4.11Å; D3-F99 WeakPolarHBondContact O-CE2 3.24Å; R33-F99 PolarHBondContact O-N 3.45Å; F99-P105 HydrophobicContact CD2-CB 4.15Å; F99-P105 HydrophobicContact CE2-CB 4.42Å; F99-V175 HydrophobicContact CB-CG1 4.11Å; F99-T176 WeakPolarHBondContact CB-O 3.11Å; F99-T176 VanDerWaalsContact CG-C 3.49Å; F99-K177 VanDerWaalsContact CD1-CA 3.46Å; F99-K177 HydrophobicContact CD1-CB 3.88Å; F99-K177 HydrophobicContact CE1-CB 3.46Å; F99-K177 VanDerWaalsContact CE1-CB 3.46Å; F99-K177 HydrophobicContact CE2-CB 4.34Å; F99-K177 HydrophobicContact CG-CB 4.5Å; F99-K177 HydrophobicContact CZ-CB 3.72Å
100D96.1Very high97Very high17 Ų1739.5 Ų39.59%0.09120%0.196CC..EExtended strand (participates in β ladder)trans-94.2141.3171.2-173.658.8000110.8P69 Q102 T103 G104P69-D100 HydrophobicContact CG-CB 4.26Å; D100-Q102 PolarHBondContact O-N 3.37Å; D100-Q102 WeakPolarHBondContact OD2-CA 3.2Å; D100-Q102 VanDerWaalsContact OD2-CB 3.29Å; D100-Q102 WeakPolarHBondContact OD2-CB 3.33Å; D100-Q102 PolarHBondContact OD2-N 2.78Å; D100-T103 VanDerWaalsContact CB-OG1 3.28Å; D100-T103 WeakPolarHBondContact CB-OG1 3.49Å; D100-T103 PolarHBondContact OD2-N 2.94Å; D100-T103 PolarHBondContact OD2-OG1 2.98Å; D100-G104 PolarHBondContact N-O 2.85Å; D100-G104 VanDerWaalsContact O-CA 3.22Å; D100-G104 WeakPolarHBondContact O-CA 3.36Å; D100-G104 PolarHBondContact O-N 3.34Å
101L93.4Very high97.1Very high118 Ų11837.5 Ų37.562%0.61819%0.19SC*.THydrogen-bonded Turntrans-68.9-22.9179.5-71176000113.6R33R33-L101 VanDerWaalsContact NH1-CD1 3.31Å
102Q93.2Very high97.1Very high185 Ų18537.3 Ų37.386%0.86419%0.187SC*.THydrogen-bonded Turntrans-98.3-44.5-176.8-54.3-177.7-6.700111.1D100D100-Q102 PolarHBondContact O-N 3.37Å; D100-Q102 WeakPolarHBondContact OD2-CA 3.2Å; D100-Q102 VanDerWaalsContact OD2-CB 3.29Å; D100-Q102 WeakPolarHBondContact OD2-CB 3.33Å; D100-Q102 PolarHBondContact OD2-N 2.78Å
103T93.9Very high97.1Very high86 Ų8641.4 Ų41.453%0.52821%0.209SC..THydrogen-bonded Turntrans-96.3-15.2-176.767.50000114.4D100 E106D100-T103 VanDerWaalsContact CB-OG1 3.28Å; D100-T103 WeakPolarHBondContact CB-OG1 3.49Å; D100-T103 PolarHBondContact OD2-N 2.94Å; D100-T103 PolarHBondContact OD2-OG1 2.98Å; T103-E106 VanDerWaalsContact OG1-CD 3.32Å; T103-E106 PolarHBondContact OG1-OE1 3.33Å
104G95.7Very high97Very high13 Ų1340.1 Ų40.113%0.13420%0.203CC..EExtended strand (participates in β ladder)trans86.7-152.1-179.500000113.6D100D100-G104 PolarHBondContact N-O 2.85Å; D100-G104 VanDerWaalsContact O-CA 3.22Å; D100-G104 WeakPolarHBondContact O-CA 3.36Å; D100-G104 PolarHBondContact O-N 3.34Å
105P97.1Very high97Very high43 Ų4343.1 Ų43.128%0.27922%0.224SC..EExtended strand (participates in β ladder)trans-69.8136-178.429-34.4000111.9V5 F99V5-P105 HydrophobicContact CG2-CB 3.49Å; V5-P105 VanDerWaalsContact CG2-CB 3.49Å; F99-P105 HydrophobicContact CD2-CB 4.15Å; F99-P105 HydrophobicContact CE2-CB 4.42Å
106E97.6Very high97Very high11 Ų1144.2 Ų44.25%0.05123%0.23CC..EExtended strand (participates in β ladder)trans-133.5134.3178.9-50.5-164.5137.500111.2P69 S70 A97 G98 T103 Y108 K118P69-E106 HydrophobicContact CB-CB 4.2Å; S70-E106 PolarHBondContact N-OE2 3.2Å; A97-E106 WeakPolarHBondContact CA-O 3.27Å; G98-E106 PolarHBondContact N-O 3.34Å; G98-E106 PolarHBondContact O-N 2.9Å; T103-E106 VanDerWaalsContact OG1-CD 3.32Å; T103-E106 PolarHBondContact OG1-OE1 3.33Å; E106-Y108 HydrophobicContact CB-CD2 4.4Å; E106-Y108 HydrophobicContact CB-CE2 3.76Å; E106-Y108 PolarHBondContact OE2-OH 2.94Å; E106-K118 VanDerWaalsContact CD-NZ 3.32Å; E106-K118 IonicContact OE1-NZ 2.76Å; E106-K118 PolarHBondContact OE1-NZ 3.26Å
107L98.3Very high97Very high18 Ų1848.9 Ų48.99%0.09425%0.254CS..EExtended strand (participates in β ladder)trans-123.3128.8173.9177.466.6000109.8V5 L7 L95 A97 K118 V119 A122V5-L107 HydrophobicContact CG1-CB 4.08Å; V5-L107 HydrophobicContact CG1-CD1 4.08Å; L7-L107 HydrophobicContact CD2-CD1 4.09Å; L95-L107 HydrophobicContact CB-CD1 4.38Å; A97-L107 HydrophobicContact CB-CD1 4.29Å; L107-K118 WeakPolarHBondContact O-CA 3.42Å; L107-V119 HydrophobicContact CD2-CG2 4.23Å; L107-V119 HydrophobicContact CG-CG2 4.21Å; L107-V119 PolarHBondContact O-N 2.84Å; L107-A122 HydrophobicContact CD2-CB 4.35Å
108Y98.7Very high97Very high17 Ų1754.1 Ų54.17%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-118.6131.8178.2-68.3-90.7000110.8P69 S70 A73 L95 I96 E106 L116 I117 K118P69-Y108 HydrophobicContact CB-CE2 4.39Å; S70-Y108 WeakPolarHBondContact CA-OH 3.49Å; S70-Y108 VanDerWaalsContact CB-OH 3.22Å; S70-Y108 WeakPolarHBondContact CB-OH 3.38Å; S70-Y108 PolarHBondContact OG-OH 3.31Å; A73-Y108 HydrophobicContact CB-CD1 3.99Å; A73-Y108 HydrophobicContact CB-CD2 3.86Å; A73-Y108 HydrophobicContact CB-CE1 4.34Å; A73-Y108 HydrophobicContact CB-CE2 4.24Å; A73-Y108 HydrophobicContact CB-CG 3.73Å; L95-Y108 WeakPolarHBondContact CA-O 3.39Å; I96-Y108 PolarHBondContact N-O 3Å; I96-Y108 PolarHBondContact O-N 3.33Å; E106-Y108 HydrophobicContact CB-CD2 4.4Å; E106-Y108 HydrophobicContact CB-CE2 3.76Å; E106-Y108 PolarHBondContact OE2-OH 2.94Å; Y108-L116 HydrophobicContact CD1-CD1 4.01Å; Y108-L116 HydrophobicContact CD1-CD2 4.24Å; Y108-L116 HydrophobicContact CD1-CG 4.05Å; Y108-L116 HydrophobicContact CG-CD1 4.31Å; Y108-I117 WeakPolarHBondContact CA-O 3.3Å; Y108-K118 HydrophobicContact CD1-CB 4.03Å; Y108-K118 HydrophobicContact CE1-CB 3.78Å; Y108-K118 HydrophobicContact CE1-CD 4.4Å; Y108-K118 HydrophobicContact CE1-CG 4.19Å
109Y98.5Very high97Very high71 Ų7155.7 Ų55.728%0.27829%0.286SS..EExtended strand (participates in β ladder)trans-96.6129.5169.3178.2-79.9000108.9L95 D111 L116 I117 A122 H124L95-Y109 HydrophobicContact CD2-CD2 3.81Å; L95-Y109 HydrophobicContact CD2-CG 4.4Å; Y109-D111 HydrophobicContact CE1-CB 4.07Å; Y109-L116 WeakPolarHBondContact O-CA 3.12Å; Y109-I117 HydrophobicContact CD1-CG2 4.07Å; Y109-I117 HydrophobicContact CG-CG2 4.32Å; Y109-I117 PolarHBondContact N-O 2.92Å; Y109-I117 PolarHBondContact O-N 3.5Å; Y109-A122 HydrophobicContact CD2-CB 3.74Å; Y109-A122 HydrophobicContact CG-CB 4.44Å; Y109-H124 AromaticContact CD2-CE1 3.7Å; Y109-H124 AromaticContact CD2-NE2 3.64Å; Y109-H124 AromaticContact CE1-CE1 3.59Å; Y109-H124 AromaticContact CE2-CD2 3.98Å; Y109-H124 AromaticContact CE2-CE1 3.08Å; Y109-H124 WeakPolarHBondContact CE2-CE1 3.35Å; Y109-H124 AromaticContact CE2-CG 3.9Å; Y109-H124 AromaticContact CE2-ND1 3.34Å; Y109-H124 VanDerWaalsContact CE2-ND1 3.34Å; Y109-H124 WeakPolarHBondContact CE2-ND1 3.38Å; Y109-H124 AromaticContact CE2-NE2 3.48Å; Y109-H124 WeakPolarHBondContact CE2-NE2 3.4Å; Y109-H124 AromaticContact CZ-CE1 3Å; Y109-H124 AromaticContact CZ-ND1 3.43Å; Y109-H124 AromaticContact CZ-NE2 3.79Å; Y109-H124 PolarHBondContact OH-CE1 2.99Å; Y109-H124 PolarHBondContact OH-ND1 3.26Å
110L98.4Very high96.9Very high0 Ų059.3 Ų59.30%031%0.311CS..EExtended strand (participates in β ladder)trans-136.2110.8-178.3-179.156.9000110.1T76 R77 M80 L94 I96 S115 L116 H124T76-L110 HydrophobicContact CG2-CD2 3.83Å; R77-L110 HydrophobicContact CB-CD1 4.17Å; R77-L110 HydrophobicContact CB-CD2 4.47Å; R77-L110 HydrophobicContact CG-CD1 3.99Å; M80-L110 HydrophobicContact CE-CD1 4.05Å; M80-L110 HydrophobicContact CE-CD2 3.39Å; M80-L110 HydrophobicContact CE-CG 3.46Å; M80-L110 VanDerWaalsContact CE-CG 3.46Å; L94-L110 HydrophobicContact CB-CB 4.33Å; L94-L110 HydrophobicContact CD1-CD2 4.29Å; L94-L110 PolarHBondContact N-O 3.2Å; L94-L110 PolarHBondContact O-N 3.49Å; I96-L110 HydrophobicContact CD1-CD2 4.2Å; L110-S115 WeakPolarHBondContact CA-O 3.44Å; L110-L116 HydrophobicContact CB-CD1 3.93Å; L110-L116 HydrophobicContact CD1-CB 4.08Å; L110-L116 HydrophobicContact CD1-CD1 4.08Å; L110-L116 HydrophobicContact CD2-CD1 4.39Å; L110-L116 HydrophobicContact CG-CD1 4.35Å; L110-H124 PolarHBondContact O-NE2 2.97Å
111D97.6Very high97Very high30 Ų3060.6 Ų60.616%0.1632%0.316CS..  trans-84.1168.8177.6736000113N93 Y109 L113 A114 S115N93-D111 WeakPolarHBondContact OD1-CA 3.34Å; Y109-D111 HydrophobicContact CE1-CB 4.07Å; D111-L113 PolarHBondContact O-N 3Å; D111-L113 WeakPolarHBondContact OD1-CA 3.32Å; D111-L113 PolarHBondContact OD1-N 3.47Å; D111-L113 VanDerWaalsContact OD1-N 3.08Å; D111-A114 WeakPolarHBondContact O-CA 3.5Å; D111-A114 PolarHBondContact O-N 2.74Å; D111-A114 PolarHBondContact OD1-N 2.88Å; D111-S115 PolarHBondContact N-O 3.48Å; D111-S115 WeakPolarHBondContact OD1-CA 3.2Å; D111-S115 WeakPolarHBondContact OD1-CB 3.48Å; D111-S115 PolarHBondContact OD1-N 3.39Å; D111-S115 PolarHBondContact OD1-OG 3.18Å; D111-S115 PolarHBondContact OD2-OG 3.07Å
112Y96.2Very high97.2Very high103 Ų10355.9 Ų55.940%0.40429%0.294SS..THydrogen-bonded Turntrans-62.7-9.1178.171.8-86.6000114.9F91 V92 N93 A114F91-Y112 HydrophobicContact CD1-CD2 4.27Å; V92-Y112 WeakPolarHBondContact O-CA 3.48Å; V92-Y112 WeakPolarHBondContact O-CB 3.38Å; V92-Y112 PolarHBondContact O-N 3.46Å; N93-Y112 PolarHBondContact OD1-N 2.98Å; Y112-A114 VanDerWaalsContact C-N 3.32Å
113L96.8Very high97.4Very high86 Ų8648.8 Ų48.845%0.4526%0.263SS..THydrogen-bonded Turntrans-94.48.5172.7-62.9178.6000112.2L84 D111 S115L84-L113 HydrophobicContact CD1-CD2 4.17Å; L84-L113 HydrophobicContact CD2-CD2 4.4Å; D111-L113 PolarHBondContact O-N 3Å; D111-L113 WeakPolarHBondContact OD1-CA 3.32Å; D111-L113 PolarHBondContact OD1-N 3.47Å; D111-L113 VanDerWaalsContact OD1-N 3.08Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.05Å
114A96.9Very high97.6Very high8 Ų846.2 Ų46.27%0.06625%0.245CC..  trans62.531.3-176.400000114.1R77 M80 A81 D111 Y112R77-A114 HydrophobicContact CG-CB 4.26Å; R77-A114 WeakPolarHBondContact CG-O 3.32Å; M80-A114 HydrophobicContact CB-CB 3.99Å; M80-A114 HydrophobicContact CG-CB 4.21Å; M80-A114 HydrophobicContact SD-CB 4.1Å; A81-A114 HydrophobicContact CB-CB 3.71Å; D111-A114 WeakPolarHBondContact O-CA 3.5Å; D111-A114 PolarHBondContact O-N 2.74Å; D111-A114 PolarHBondContact OD1-N 2.88Å; Y112-A114 VanDerWaalsContact C-N 3.32Å
115S97.8Very high97.6Very high63 Ų6348.1 Ų48.144%0.44127%0.265SS..  trans-84.2115.7171.3-48.90000109.7L110 D111 L113L110-S115 WeakPolarHBondContact CA-O 3.44Å; D111-S115 PolarHBondContact N-O 3.48Å; D111-S115 WeakPolarHBondContact OD1-CA 3.2Å; D111-S115 WeakPolarHBondContact OD1-CB 3.48Å; D111-S115 PolarHBondContact OD1-N 3.39Å; D111-S115 PolarHBondContact OD1-OG 3.18Å; D111-S115 PolarHBondContact OD2-OG 3.07Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.05Å
116L98.4Very high97.6Very high42 Ų4254.6 Ų54.622%0.2229%0.285CS..EExtended strand (participates in β ladder)trans-107.8130.1-177.7-174.271.4000111.1A73 R77 Y108 Y109 L110A73-L116 HydrophobicContact CB-CD1 4.11Å; A73-L116 HydrophobicContact CB-CD2 3.98Å; R77-L116 HydrophobicContact CB-CB 4.41Å; R77-L116 HydrophobicContact CB-CD2 4.32Å; R77-L116 VanDerWaalsContact CD-CB 3.41Å; R77-L116 HydrophobicContact CG-CB 3.98Å; Y108-L116 HydrophobicContact CD1-CD1 4.01Å; Y108-L116 HydrophobicContact CD1-CD2 4.24Å; Y108-L116 HydrophobicContact CD1-CG 4.05Å; Y108-L116 HydrophobicContact CG-CD1 4.31Å; Y109-L116 WeakPolarHBondContact O-CA 3.12Å; L110-L116 HydrophobicContact CB-CD1 3.93Å; L110-L116 HydrophobicContact CD1-CB 4.08Å; L110-L116 HydrophobicContact CD1-CD1 4.08Å; L110-L116 HydrophobicContact CD2-CD1 4.39Å; L110-L116 HydrophobicContact CG-CD1 4.35Å
117I98.2Very high97.4Very high99 Ų9954.7 Ų54.751%0.50829%0.289SS..EExtended strand (participates in β ladder)trans-140.2137.2174.2-173169.4000111Y108 Y109 V119Y108-I117 WeakPolarHBondContact CA-O 3.3Å; Y109-I117 HydrophobicContact CD1-CG2 4.07Å; Y109-I117 HydrophobicContact CG-CG2 4.32Å; Y109-I117 PolarHBondContact N-O 2.92Å; Y109-I117 PolarHBondContact O-N 3.5Å; I117-V119 HydrophobicContact CD1-CG1 4.39Å; I117-V119 HydrophobicContact CG1-CG1 4.04Å; I117-V119 HydrophobicContact CG2-CG1 3.92Å
118K98.2Very high97.3Very high110 Ų11054.5 Ų54.548%0.47829%0.29SS..EExtended strand (participates in β ladder)trans-83.1128.8171.6-172.8175.2179.7174.10108.9E106 L107 Y108E106-K118 VanDerWaalsContact CD-NZ 3.32Å; E106-K118 IonicContact OE1-NZ 2.76Å; E106-K118 PolarHBondContact OE1-NZ 3.26Å; L107-K118 WeakPolarHBondContact O-CA 3.42Å; Y108-K118 HydrophobicContact CD1-CB 4.03Å; Y108-K118 HydrophobicContact CE1-CB 3.78Å; Y108-K118 HydrophobicContact CE1-CD 4.4Å; Y108-K118 HydrophobicContact CE1-CG 4.19Å
119V97.8Very high97.2Very high33 Ų3360.5 Ų60.520%0.232%0.322CS..  trans-139.9153.7-171.3-67.40000111.7L107 I117 F121 A122L107-V119 HydrophobicContact CD2-CG2 4.23Å; L107-V119 HydrophobicContact CG-CG2 4.21Å; L107-V119 PolarHBondContact O-N 2.84Å; I117-V119 HydrophobicContact CD1-CG1 4.39Å; I117-V119 HydrophobicContact CG1-CG1 4.04Å; I117-V119 HydrophobicContact CG2-CG1 3.92Å; V119-F121 WeakPolarHBondContact CG2-O 3.08Å; V119-A122 HydrophobicContact CG2-CB 3.63Å
120P96.7Very high97Very high93 Ų9358.5 Ų58.560%0.60432%0.318SS*.SBendtrans-72.3-32.517528.1-34000112.7
121F97.6Very high96.9Very high44 Ų4458.7 Ų58.719%0.19332%0.319CS..SBendtrans-150.9154.9175.550.4-97.5000109.1V119 L132 L135 D136 H139V119-F121 WeakPolarHBondContact CG2-O 3.08Å; F121-L132 HydrophobicContact CD2-CD2 4.44Å; F121-L135 HydrophobicContact CB-CD1 4.28Å; F121-L135 HydrophobicContact CD2-CB 3.71Å; F121-L135 HydrophobicContact CD2-CD1 3.99Å; F121-L135 HydrophobicContact CD2-CG 4.43Å; F121-L135 HydrophobicContact CE2-CB 3.89Å; F121-L135 HydrophobicContact CG-CB 4.08Å; F121-L135 HydrophobicContact CG-CD1 4.37Å; F121-L135 HydrophobicContact CZ-CB 4.39Å; F121-D136 WeakPolarHBondContact CE2-OD1 3.34Å; F121-D136 WeakPolarHBondContact CZ-OD1 3.42Å; F121-H139 HydrophobicContact CD1-CB 3.95Å; F121-H139 AromaticContact CD1-CD2 3.79Å; F121-H139 AromaticContact CD1-CG 3.54Å; F121-H139 AromaticContact CD1-ND1 3.72Å; F121-H139 HydrophobicContact CE1-CB 3.96Å; F121-H139 AromaticContact CE1-CG 3.86Å; F121-H139 AromaticContact CE1-ND1 3.85Å
122A98Very high96.9Very high19 Ų1960.2 Ų60.216%0.15733%0.327CS..  trans-156.9153.6179.100000111L95 L107 Y109 V119L95-A122 HydrophobicContact CD1-CB 4.47Å; L95-A122 HydrophobicContact CD2-CB 3.64Å; L107-A122 HydrophobicContact CD2-CB 4.35Å; Y109-A122 HydrophobicContact CD2-CB 3.74Å; Y109-A122 HydrophobicContact CG-CB 4.44Å; V119-A122 HydrophobicContact CG2-CB 3.63Å
123V97.9Very high97Very high36 Ų3658.9 Ų58.922%0.21833%0.333CS..  trans-142.4132.5176.9-173.60000108.2A128 A131 L132 L135V123-A128 HydrophobicContact CB-CB 3.84Å; V123-A128 HydrophobicContact CG1-CB 3.8Å; V123-A131 HydrophobicContact CG2-CB 4.23Å; V123-L132 HydrophobicContact CB-CD2 4.24Å; V123-L132 HydrophobicContact CB-CG 4.44Å; V123-L132 HydrophobicContact CG2-CD2 4.08Å; V123-L135 HydrophobicContact CG2-CD1 3.62Å
124H97.8Very high97Very high31 Ų3156.1 Ų56.114%0.14432%0.318CS..  trans-102.9163.7168.4-81.9-65000111.4L94 Y109 L110L94-H124 PolarHBondContact O-NE2 3.25Å; Y109-H124 AromaticContact CD2-CE1 3.7Å; Y109-H124 AromaticContact CD2-NE2 3.64Å; Y109-H124 AromaticContact CE1-CE1 3.59Å; Y109-H124 AromaticContact CE2-CD2 3.98Å; Y109-H124 AromaticContact CE2-CE1 3.08Å; Y109-H124 WeakPolarHBondContact CE2-CE1 3.35Å; Y109-H124 AromaticContact CE2-CG 3.9Å; Y109-H124 AromaticContact CE2-ND1 3.34Å; Y109-H124 VanDerWaalsContact CE2-ND1 3.34Å; Y109-H124 WeakPolarHBondContact CE2-ND1 3.38Å; Y109-H124 AromaticContact CE2-NE2 3.48Å; Y109-H124 WeakPolarHBondContact CE2-NE2 3.4Å; Y109-H124 AromaticContact CZ-CE1 3Å; Y109-H124 AromaticContact CZ-ND1 3.43Å; Y109-H124 AromaticContact CZ-NE2 3.79Å; Y109-H124 PolarHBondContact OH-CE1 2.99Å; Y109-H124 PolarHBondContact OH-ND1 3.26Å; L110-H124 PolarHBondContact O-NE2 2.97Å
125G95.7Very high97.1Very high54 Ų5456.7 Ų56.756%0.55732%0.32SS*.SBendtrans77.7178.4-179.500000113.5G127 A128G125-G127 PolarHBondContact O-N 2.93Å; G125-A128 WeakPolarHBondContact O-CB 3.49Å; G125-A128 PolarHBondContact O-N 3.14Å; G125-A128 VanDerWaalsContact O-N 3.07Å
126Y95.8Very high97.1Very high179 Ų17959.2 Ų59.270%0.70233%0.328SS*.THydrogen-bonded Turntrans-64.9-22.5-174.8-65.3-62.1000114.1A128 L129Y126-A128 PolarHBondContact O-N 2.82Å; Y126-L129 HydrophobicContact CD1-CD1 4.42Å; Y126-L129 WeakPolarHBondContact O-CB 3.4Å; Y126-L129 PolarHBondContact O-N 2.85Å; Y126-L129 VanDerWaalsContact O-N 3.16Å
127G94.5Very high97Very high13 Ų1367.8 Ų67.813%0.13436%0.358CS..THydrogen-bonded Turntrans-59.9-23.6173.300000113.3G125 L129 V130 A131G125-G127 PolarHBondContact O-N 2.93Å; G127-L129 PolarHBondContact O-N 3.34Å; G127-V130 WeakPolarHBondContact O-CG2 3.49Å; G127-V130 PolarHBondContact O-N 2.86Å; G127-A131 VanDerWaalsContact O-CB 3.3Å; G127-A131 WeakPolarHBondContact O-CB 2.93Å; G127-A131 PolarHBondContact O-N 3Å
128A96.3Very high97Very high13 Ų1367 Ų6711%0.10735%0.353CS..Hα-helixtrans-58.5-33.3175.600000112.8V123 G125 Y126 V130 A131 L132V123-A128 HydrophobicContact CB-CB 3.84Å; V123-A128 HydrophobicContact CG1-CB 3.8Å; G125-A128 WeakPolarHBondContact O-CB 3.49Å; G125-A128 PolarHBondContact O-N 3.14Å; G125-A128 VanDerWaalsContact O-N 3.07Å; Y126-A128 PolarHBondContact O-N 2.82Å; A128-V130 PolarHBondContact O-N 3.2Å; A128-V130 VanDerWaalsContact O-N 3.14Å; A128-A131 PolarHBondContact O-N 2.79Å; A128-L132 HydrophobicContact CB-CD1 3.93Å; A128-L132 HydrophobicContact CB-CG 4.21Å; A128-L132 WeakPolarHBondContact O-CB 2.9Å; A128-L132 VanDerWaalsContact O-CG 3.3Å; A128-L132 WeakPolarHBondContact O-CG 3.3Å; A128-L132 PolarHBondContact O-N 3.12Å; A128-L132 VanDerWaalsContact O-N 3.08Å
129L96Very high96.9Very high143 Ų14364.6 Ų64.675%0.74934%0.344SS*.Hα-helixtrans-60.3-26.2-178.3-65.3174.6000113.4Y126 G127Y126-L129 HydrophobicContact CD1-CD1 4.42Å; Y126-L129 WeakPolarHBondContact O-CB 3.4Å; Y126-L129 PolarHBondContact O-N 2.85Å; Y126-L129 VanDerWaalsContact O-N 3.16Å; G127-L129 PolarHBondContact O-N 3.34Å
130V94.8Very high96.8Very high30 Ų3068.2 Ų68.218%0.18235%0.354CS..Hα-helixtrans-107.9-39.7178.9-60.90000111.4G127 A128 S133 E158 V159 R162G127-V130 WeakPolarHBondContact O-CG2 3.49Å; G127-V130 PolarHBondContact O-N 2.86Å; A128-V130 PolarHBondContact O-N 3.2Å; A128-V130 VanDerWaalsContact O-N 3.14Å; V130-S133 PolarHBondContact O-OG 3.38Å; V130-E158 HydrophobicContact CB-CG 4.06Å; V130-E158 HydrophobicContact CG2-CG 4.39Å; V130-V159 HydrophobicContact CG2-CB 4.35Å; V130-V159 HydrophobicContact CG2-CG2 3.56Å; V130-R162 HydrophobicContact CG1-CB 4.23Å
131A96.7Very high96.6Very high4 Ų469.5 Ų69.53%0.03336%0.362CS..Hα-helixtrans-71.5-37.8-17400000113.4V123 G127 A128 S133 I134 L135 C155V123-A131 HydrophobicContact CG2-CB 4.23Å; G127-A131 VanDerWaalsContact O-CB 3.3Å; G127-A131 WeakPolarHBondContact O-CB 2.93Å; G127-A131 PolarHBondContact O-N 3Å; A128-A131 PolarHBondContact O-N 2.79Å; A131-S133 VanDerWaalsContact C-N 3.3Å; A131-S133 PolarHBondContact O-N 3.13Å; A131-I134 WeakPolarHBondContact O-CB 3.4Å; A131-I134 PolarHBondContact O-N 2.92Å; A131-I134 VanDerWaalsContact O-N 3.09Å; A131-L135 WeakPolarHBondContact O-CG 3.48Å; A131-L135 PolarHBondContact O-N 3.4Å; A131-C155 HydrophobicContact CB-CB 3.99Å
132L97.8Very high96.4Very high61 Ų6172 Ų7232%0.31938%0.377SS..Hα-helixtrans-59.9-40.5-176.9-72.9172.3000112.1F121 V123 A128 I134 L135 D136F121-L132 HydrophobicContact CD2-CD2 4.44Å; V123-L132 HydrophobicContact CB-CD2 4.24Å; V123-L132 HydrophobicContact CB-CG 4.44Å; V123-L132 HydrophobicContact CG2-CD2 4.08Å; A128-L132 HydrophobicContact CB-CD1 3.93Å; A128-L132 HydrophobicContact CB-CG 4.21Å; A128-L132 WeakPolarHBondContact O-CB 2.9Å; A128-L132 VanDerWaalsContact O-CG 3.3Å; A128-L132 WeakPolarHBondContact O-CG 3.3Å; A128-L132 PolarHBondContact O-N 3.12Å; A128-L132 VanDerWaalsContact O-N 3.08Å; L132-I134 VanDerWaalsContact C-N 3.27Å; L132-I134 PolarHBondContact O-N 3.14Å; L132-L135 HydrophobicContact CD2-CD1 4.45Å; L132-L135 PolarHBondContact O-N 3.32Å; L132-D136 PolarHBondContact O-N 3.44Å
133S97.3Very high96.3Very high75 Ų7571.7 Ų71.752%0.52437%0.373SS..Hα-helixtrans-64.4-30.2178.370.90000113.7V130 A131 R137V130-S133 PolarHBondContact O-OG 3.38Å; A131-S133 VanDerWaalsContact C-N 3.3Å; A131-S133 PolarHBondContact O-N 3.13Å; S133-R137 WeakPolarHBondContact O-CB 3.32Å; S133-R137 PolarHBondContact O-N 3.43Å
134I97.7Very high96.2Very high28 Ų2872.5 Ų72.514%0.14438%0.378CS..Hα-helixtrans-74.9-43.7175.9-62.5171.6000109.6A131 L132 R137 M138 L151 E158A131-I134 WeakPolarHBondContact O-CB 3.4Å; A131-I134 PolarHBondContact O-N 2.92Å; A131-I134 VanDerWaalsContact O-N 3.09Å; L132-I134 VanDerWaalsContact C-N 3.27Å; L132-I134 PolarHBondContact O-N 3.14Å; I134-R137 PolarHBondContact O-N 2.89Å; I134-M138 HydrophobicContact CG2-SD 4.16Å; I134-M138 WeakPolarHBondContact O-CB 3.25Å; I134-M138 PolarHBondContact O-N 3.44Å; I134-L151 HydrophobicContact CG2-CD1 3.88Å; I134-E158 HydrophobicContact CD1-CB 3.53Å; I134-E158 HydrophobicContact CD1-CG 3.83Å
135L97.8Very high96.1Very high21 Ų2172.5 Ų72.511%0.1138%0.38CS..Hα-helixtrans-60.4-49.3175.9-67.5169000110.9F121 V123 A131 L132 R137 M138 H139 L151F121-L135 HydrophobicContact CB-CD1 4.28Å; F121-L135 HydrophobicContact CD2-CB 3.71Å; F121-L135 HydrophobicContact CD2-CD1 3.99Å; F121-L135 HydrophobicContact CD2-CG 4.43Å; F121-L135 HydrophobicContact CE2-CB 3.89Å; F121-L135 HydrophobicContact CG-CB 4.08Å; F121-L135 HydrophobicContact CG-CD1 4.37Å; F121-L135 HydrophobicContact CZ-CB 4.39Å; V123-L135 HydrophobicContact CG2-CD1 3.62Å; A131-L135 WeakPolarHBondContact O-CG 3.48Å; A131-L135 PolarHBondContact O-N 3.4Å; L132-L135 HydrophobicContact CD2-CD1 4.45Å; L132-L135 PolarHBondContact O-N 3.32Å; L135-R137 PolarHBondContact O-N 2.89Å; L135-R137 VanDerWaalsContact O-N 3.16Å; L135-M138 PolarHBondContact O-N 3.27Å; L135-H139 WeakPolarHBondContact O-CB 3.31Å; L135-H139 PolarHBondContact O-N 3.01Å; L135-L151 HydrophobicContact CD2-CD2 3.99Å; L135-L151 HydrophobicContact CD2-CG 4.11Å
136D97.5Very high96.1Very high115 Ų11576.3 Ų76.362%0.61539%0.388SS*.Hα-helixtrans-53.7-37.9176.7-75.5-27.7000112.3F121 L132F121-D136 WeakPolarHBondContact CE2-OD1 3.34Å; F121-D136 WeakPolarHBondContact CZ-OD1 3.42Å; L132-D136 PolarHBondContact O-N 3.44Å
137R97.6Very high96.1Very high222 Ų22271.3 Ų71.384%0.83837%0.371SS*.Hα-helixtrans-79.7-37.8-177.6179.9175.7176.6159.50113.6S133 I134 L135S133-R137 WeakPolarHBondContact O-CB 3.32Å; S133-R137 PolarHBondContact O-N 3.43Å; I134-R137 PolarHBondContact O-N 2.89Å; L135-R137 PolarHBondContact O-N 2.89Å; L135-R137 VanDerWaalsContact O-N 3.16Å
138M97.2Very high96.2Very high83 Ų8371.4 Ų71.441%0.40937%0.37SS..Hα-helixtrans-115.2-18.1-163.6-63-169.973.600114.4I134 L135 L151 L154I134-M138 HydrophobicContact CG2-SD 4.16Å; I134-M138 WeakPolarHBondContact O-CB 3.25Å; I134-M138 PolarHBondContact O-N 3.44Å; L135-M138 PolarHBondContact O-N 3.27Å; M138-L151 HydrophobicContact CB-CD1 3.56Å; M138-L151 HydrophobicContact CB-CD2 4.33Å; M138-L151 HydrophobicContact CG-CD1 4.35Å; M138-L151 HydrophobicContact SD-CD1 4.14Å; M138-L154 HydrophobicContact CE-CD1 3.89Å; M138-L154 HydrophobicContact SD-CD1 4.03Å
139H96.7Very high96.2Very high60 Ų6072.3 Ų72.328%0.27837%0.374SS..  trans-65136.3179.1175.9-87.6000111.2F121 L135 L151F121-H139 HydrophobicContact CD1-CB 3.95Å; F121-H139 AromaticContact CD1-CD2 3.79Å; F121-H139 AromaticContact CD1-CG 3.54Å; F121-H139 AromaticContact CD1-ND1 3.72Å; F121-H139 HydrophobicContact CE1-CB 3.96Å; F121-H139 AromaticContact CE1-CG 3.86Å; F121-H139 AromaticContact CE1-ND1 3.85Å; L135-H139 WeakPolarHBondContact O-CB 3.31Å; L135-H139 PolarHBondContact O-N 3.01Å; H139-L151 HydrophobicContact CB-CD2 4.22Å
140R95.1Very high96.2Very high109 Ų10968 Ų6841%0.41136%0.36SS..  trans-134.4141.3170.2-52.5-176.5-58.4-81.13110D142 M143 E147R140-D142 WeakPolarHBondContact CB-OD1 3.09Å; R140-D142 IonicContact NE-OD1 2.89Å; R140-D142 PolarHBondContact O-N 3.47Å; R140-D142 VanDerWaalsContact O-N 3.14Å; R140-M143 HydrophobicContact CB-CG 4.03Å; R140-M143 PolarHBondContact N-SD 2.89Å; R140-M143 WeakPolarHBondContact O-CG 3.46Å; R140-M143 PolarHBondContact O-N 3.25Å; R140-E147 IonicContact NH2-OE1 3.26Å; R140-E147 PolarHBondContact NH2-OE1 2.85Å
141P92.7Very high96.3Very high120 Ų12067.1 Ų67.178%0.77935%0.354SS*.THydrogen-bonded Turntrans-61.1-20179.4-24.333.6000115.3
142D94.2Very high96.3Very high96 Ų9668.6 Ų68.651%0.51336%0.361SS..THydrogen-bonded Turntrans-97.79.5-175.866.6-29.6000113.7N2 R140N2-D142 PolarHBondContact ND2-O 3.17Å; R140-D142 WeakPolarHBondContact CB-OD1 3.09Å; R140-D142 IonicContact NE-OD1 2.89Å; R140-D142 PolarHBondContact O-N 3.47Å; R140-D142 VanDerWaalsContact O-N 3.14Å
143M95.3Very high96.2Very high13 Ų1369.7 Ų69.76%0.06436%0.36CS..  trans-59.8138.6-178.4-74174.982.100112.1F4 R140 E147 A148 L151F4-M143 WeakPolarHBondContact CE1-O 3.43Å; R140-M143 HydrophobicContact CB-CG 4.03Å; R140-M143 PolarHBondContact N-SD 2.89Å; R140-M143 WeakPolarHBondContact O-CG 3.46Å; R140-M143 PolarHBondContact O-N 3.25Å; M143-E147 HydrophobicContact CB-CB 4.33Å; M143-E147 HydrophobicContact CE-CB 3.82Å; M143-E147 VanDerWaalsContact CE-O 3.26Å; M143-E147 WeakPolarHBondContact CE-O 3.24Å; M143-E147 HydrophobicContact CG-CB 4.44Å; M143-A148 HydrophobicContact CE-CB 4.47Å; M143-L151 HydrophobicContact CE-CB 3.78Å; M143-L151 HydrophobicContact CE-CD2 3.69Å; M143-L151 HydrophobicContact CE-CG 4.39Å; M143-L151 HydrophobicContact SD-CD2 3.98Å
144T96.1Very high96.1Very high52 Ų5269.6 Ų69.632%0.31935%0.354SS..  trans-74.8161166.4630000111N146 E147 A148T144-N146 PolarHBondContact O-N 2.79Å; T144-E147 PolarHBondContact N-OE2 3.46Å; T144-E147 PolarHBondContact O-N 2.6Å; T144-E147 VanDerWaalsContact O-N 3.12Å; T144-E147 WeakPolarHBondContact OG1-CG 3.28Å; T144-E147 PolarHBondContact OG1-N 3.22Å; T144-E147 PolarHBondContact OG1-OE2 2.69Å; T144-A148 PolarHBondContact O-N 2.92Å
145V95.4Very high96Very high31 Ų3168.6 Ų68.619%0.18835%0.349CS..Hα-helixtrans-51.8-43.4174.7178.80000111.9F4 A148 V149 I174 L183F4-V145 HydrophobicContact CD1-CG2 3.79Å; F4-V145 HydrophobicContact CD2-CG2 4.44Å; F4-V145 HydrophobicContact CE1-CG2 3.75Å; F4-V145 HydrophobicContact CE2-CG2 4.4Å; F4-V145 HydrophobicContact CG-CG2 4.16Å; F4-V145 HydrophobicContact CZ-CB 4.47Å; F4-V145 HydrophobicContact CZ-CG2 4.07Å; V145-A148 PolarHBondContact O-N 3Å; V145-V149 HydrophobicContact CG1-CG2 4.36Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.5Å; V145-V149 PolarHBondContact O-N 2.84Å; V145-I174 HydrophobicContact CB-CD1 4.34Å; V145-I174 HydrophobicContact CG1-CD1 3.83Å; V145-I174 HydrophobicContact CG2-CD1 3.55Å; V145-L183 HydrophobicContact CG1-CD1 4.37Å
146N95.3Very high95.9Very high135 Ų13567.9 Ų67.972%0.72235%0.345SS*.Hα-helixtrans-65.4-41.2-180-70.2-18.5000112.5T144 A150T144-N146 PolarHBondContact O-N 2.79Å; N146-A150 WeakPolarHBondContact O-CB 3.3Å; N146-A150 PolarHBondContact O-N 3.16Å
147E96.4Very high95.8Very high74 Ų7466.1 Ų66.135%0.34633%0.334SS..Hα-helixtrans-66.4-39.9175.4-70.1170.6119.600111.5R140 M143 T144 A150 L151R140-E147 IonicContact NH2-OE1 3.26Å; R140-E147 PolarHBondContact NH2-OE1 2.85Å; M143-E147 HydrophobicContact CB-CB 4.33Å; M143-E147 HydrophobicContact CE-CB 3.82Å; M143-E147 VanDerWaalsContact CE-O 3.26Å; M143-E147 WeakPolarHBondContact CE-O 3.24Å; M143-E147 HydrophobicContact CG-CB 4.44Å; T144-E147 PolarHBondContact N-OE2 3.46Å; T144-E147 PolarHBondContact O-N 2.6Å; T144-E147 VanDerWaalsContact O-N 3.12Å; T144-E147 WeakPolarHBondContact OG1-CG 3.28Å; T144-E147 PolarHBondContact OG1-N 3.22Å; T144-E147 PolarHBondContact OG1-OE2 2.69Å; E147-A150 PolarHBondContact O-N 3.31Å; E147-L151 WeakPolarHBondContact O-CB 3.42Å; E147-L151 PolarHBondContact O-N 3.36Å
148A96.6Very high95.6Very high15 Ų1557.8 Ų57.812%0.12430%0.304CS..Hα-helixtrans-64.9-42.4177.500000111.5F4 L6 M143 T144 V145 A150 L151 L152F4-A148 HydrophobicContact CE2-CB 3.73Å; F4-A148 HydrophobicContact CZ-CB 3.7Å; L6-A148 HydrophobicContact CD2-CB 4.19Å; M143-A148 HydrophobicContact CE-CB 4.47Å; T144-A148 PolarHBondContact O-N 2.92Å; V145-A148 PolarHBondContact O-N 3Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A148-L151 PolarHBondContact O-N 3.17Å; A148-L152 WeakPolarHBondContact O-CB 3.32Å; A148-L152 PolarHBondContact O-N 3.4Å
149V96.4Very high95.5Very high32 Ų3254.1 Ų54.119%0.19429%0.287CS..Hα-helixtrans-64.6-38.5173.9172.20000111.3L6 V145 L152 R153 L183 L186L6-V149 HydrophobicContact CD1-CG2 4.37Å; L6-V149 HydrophobicContact CD2-CG2 4Å; V145-V149 HydrophobicContact CG1-CG2 4.36Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.5Å; V145-V149 PolarHBondContact O-N 2.84Å; V149-L152 PolarHBondContact O-N 3.23Å; V149-R153 WeakPolarHBondContact O-CB 3.2Å; V149-R153 PolarHBondContact O-N 3.4Å; V149-L183 HydrophobicContact CG2-CD1 4.11Å; V149-L186 HydrophobicContact CG1-CD2 4.06Å
150A96.1Very high95.3Very high53 Ų5352.9 Ų52.944%0.43828%0.281SS..Hα-helixtrans-64.9-41.917500000112.2N146 E147 A148 R153 L154N146-A150 WeakPolarHBondContact O-CB 3.3Å; N146-A150 PolarHBondContact O-N 3.16Å; E147-A150 PolarHBondContact O-N 3.31Å; A148-A150 VanDerWaalsContact C-N 3.35Å; A150-R153 PolarHBondContact O-N 3.19Å; A150-L154 PolarHBondContact O-N 3.16Å
151L96.8Very high95.2Very high11 Ų1154 Ų546%0.05829%0.288CS..Hα-helixtrans-64.4-42.6174.517756.4000111.9I134 L135 M138 H139 M143 E147 A148 R153 L154 C155I134-L151 HydrophobicContact CG2-CD1 3.88Å; L135-L151 HydrophobicContact CD2-CD2 3.99Å; L135-L151 HydrophobicContact CD2-CG 4.11Å; M138-L151 HydrophobicContact CB-CD1 3.56Å; M138-L151 HydrophobicContact CB-CD2 4.33Å; M138-L151 HydrophobicContact CG-CD1 4.35Å; M138-L151 HydrophobicContact SD-CD1 4.14Å; H139-L151 HydrophobicContact CB-CD2 4.22Å; M143-L151 HydrophobicContact CE-CB 3.78Å; M143-L151 HydrophobicContact CE-CD2 3.69Å; M143-L151 HydrophobicContact CE-CG 4.39Å; M143-L151 HydrophobicContact SD-CD2 3.98Å; E147-L151 WeakPolarHBondContact O-CB 3.42Å; E147-L151 PolarHBondContact O-N 3.36Å; A148-L151 PolarHBondContact O-N 3.17Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.93Å; L151-L154 WeakPolarHBondContact O-CB 3.27Å; L151-L154 PolarHBondContact O-N 3.47Å; L151-C155 PolarHBondContact O-N 2.86Å; L151-C155 PolarHBondContact O-SG 3.4Å
152L96.4Very high95.2Very high34 Ų3456 Ų5618%0.17828%0.281CS..Hα-helixtrans-58.9-44.4174174.964.2000111.1L6 A8 A148 V149 L154 C155 I156 V172 L186L6-L152 HydrophobicContact CD2-CB 4.35Å; L6-L152 HydrophobicContact CD2-CD2 3.87Å; L6-L152 HydrophobicContact CG-CD2 4.5Å; A8-L152 HydrophobicContact CB-CD1 3.7Å; A8-L152 HydrophobicContact CB-CD2 3.54Å; A8-L152 HydrophobicContact CB-CG 4.19Å; A148-L152 WeakPolarHBondContact O-CB 3.32Å; A148-L152 PolarHBondContact O-N 3.4Å; V149-L152 PolarHBondContact O-N 3.23Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 3.28Å; L152-C155 WeakPolarHBondContact O-CB 3.5Å; L152-C155 PolarHBondContact O-N 3.28Å; L152-I156 HydrophobicContact CD1-CD1 4.04Å; L152-I156 HydrophobicContact CD1-CG1 4.34Å; L152-I156 HydrophobicContact CG-CD1 3.9Å; L152-I156 WeakPolarHBondContact O-CG1 3.29Å; L152-I156 PolarHBondContact O-N 2.92Å; L152-V172 HydrophobicContact CD2-CG1 4.14Å; L152-V172 HydrophobicContact CD2-CG2 3.86Å; L152-L186 HydrophobicContact CD2-CD1 3.61Å; L152-L186 HydrophobicContact CG-CD1 3.89Å
153R95.9Very high95.1Very high84 Ų8453.5 Ų53.532%0.31727%0.267SS..Hα-helixtrans-59.7-41.8176-176.9175.5-68.7-84.96.8111.9V149 A150 L151 I156 Q157 T187 F189V149-R153 WeakPolarHBondContact O-CB 3.2Å; V149-R153 PolarHBondContact O-N 3.4Å; A150-R153 PolarHBondContact O-N 3.19Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.93Å; R153-I156 PolarHBondContact O-N 3.46Å; R153-Q157 WeakPolarHBondContact O-CB 3.41Å; R153-Q157 VanDerWaalsContact O-CG 3.27Å; R153-Q157 WeakPolarHBondContact O-CG 3.36Å; R153-Q157 PolarHBondContact O-N 2.82Å; R153-T187 PolarHBondContact NH1-O 3.46Å; R153-F189 HydrophobicContact CG-CD1 4.5Å; R153-F189 HydrophobicContact CG-CE1 4.18Å
154L95.2Very high95Very high73 Ų7359.8 Ų59.838%0.38231%0.306SS..Hα-helixtrans-60.8-43.7174.3-77166.6000112M138 A150 L151 L152 I156 Q157 E158M138-L154 HydrophobicContact CE-CD1 3.89Å; M138-L154 HydrophobicContact SD-CD1 4.03Å; A150-L154 PolarHBondContact O-N 3.16Å; L151-L154 WeakPolarHBondContact O-CB 3.27Å; L151-L154 PolarHBondContact O-N 3.47Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 3.28Å; L154-I156 PolarHBondContact O-N 3.48Å; L154-Q157 PolarHBondContact O-N 3.45Å; L154-E158 PolarHBondContact O-N 2.79Å; L154-E158 VanDerWaalsContact O-N 3.12Å
155C96.4Very high94.8Very high8 Ų861.2 Ų61.25%0.05431%0.31CS..Hα-helixtrans-60.8-46176.8-64.10000111.3A131 L151 L152 E158 V159A131-C155 HydrophobicContact CB-CB 3.99Å; L151-C155 PolarHBondContact O-N 2.86Å; L151-C155 PolarHBondContact O-SG 3.4Å; L152-C155 WeakPolarHBondContact O-CB 3.5Å; L152-C155 PolarHBondContact O-N 3.28Å; C155-E158 PolarHBondContact O-N 2.81Å; C155-V159 WeakPolarHBondContact O-CG2 3.25Å; C155-V159 PolarHBondContact O-N 2.96Å
156I95.5Very high94.5Very high5 Ų563.8 Ų63.83%0.02632%0.323CS..Hα-helixtrans-64.9-40.5179.4-65.7164.1000111.4L152 R153 L154 E158 V159 Q160 Y170 L186 F189L152-I156 HydrophobicContact CD1-CD1 4.04Å; L152-I156 HydrophobicContact CD1-CG1 4.34Å; L152-I156 HydrophobicContact CG-CD1 3.9Å; L152-I156 WeakPolarHBondContact O-CG1 3.29Å; L152-I156 PolarHBondContact O-N 2.92Å; R153-I156 PolarHBondContact O-N 3.46Å; L154-I156 PolarHBondContact O-N 3.48Å; I156-E158 VanDerWaalsContact C-N 3.3Å; I156-E158 PolarHBondContact O-N 2.94Å; I156-V159 WeakPolarHBondContact O-CB 3.48Å; I156-V159 PolarHBondContact O-N 3.32Å; I156-Q160 HydrophobicContact CG2-CG 4.35Å; I156-Q160 WeakPolarHBondContact O-CG 3.34Å; I156-Q160 PolarHBondContact O-N 3.35Å; I156-Y170 HydrophobicContact CB-CD2 4.49Å; I156-Y170 HydrophobicContact CB-CE2 4.28Å; I156-Y170 HydrophobicContact CD1-CD1 4.04Å; I156-Y170 HydrophobicContact CD1-CD2 3.84Å; I156-Y170 HydrophobicContact CD1-CE2 4.34Å; I156-Y170 HydrophobicContact CD1-CG 3.67Å; I156-Y170 HydrophobicContact CG1-CD1 4.24Å; I156-Y170 HydrophobicContact CG1-CD2 4.07Å; I156-Y170 HydrophobicContact CG1-CE1 4.24Å; I156-Y170 HydrophobicContact CG1-CE2 4.06Å; I156-Y170 HydrophobicContact CG1-CG 4.17Å; I156-Y170 HydrophobicContact CG2-CD2 3.57Å; I156-Y170 HydrophobicContact CG2-CE2 3.27Å; I156-Y170 HydrophobicContact CG2-CG 4.47Å; I156-L186 HydrophobicContact CD1-CB 4.44Å; I156-L186 HydrophobicContact CD1-CD1 3.71Å; I156-F189 HydrophobicContact CB-CD1 4.28Å; I156-F189 HydrophobicContact CB-CE1 3.9Å; I156-F189 HydrophobicContact CB-CZ 4.12Å; I156-F189 HydrophobicContact CD1-CE1 4.28Å; I156-F189 HydrophobicContact CD1-CZ 4Å; I156-F189 HydrophobicContact CG2-CD1 3.69Å; I156-F189 HydrophobicContact CG2-CD2 3.76Å; I156-F189 HydrophobicContact CG2-CE1 3.48Å; I156-F189 VanDerWaalsContact CG2-CE1 3.48Å; I156-F189 HydrophobicContact CG2-CE2 3.57Å; I156-F189 HydrophobicContact CG2-CG 3.79Å; I156-F189 HydrophobicContact CG2-CZ 3.38Å
157Q94.2Very high94.4Very high79 Ų7958.4 Ų58.437%0.36929%0.294SS..Hα-helixtrans-58.9-41.9175.5-76.8173-23.600111.8R153 L154 Q160 K161 F189R153-Q157 WeakPolarHBondContact O-CB 3.41Å; R153-Q157 VanDerWaalsContact O-CG 3.27Å; R153-Q157 WeakPolarHBondContact O-CG 3.36Å; R153-Q157 PolarHBondContact O-N 2.82Å; L154-Q157 PolarHBondContact O-N 3.45Å; Q157-Q160 PolarHBondContact O-N 3.02Å; Q157-K161 WeakPolarHBondContact O-CB 3.36Å; Q157-K161 PolarHBondContact O-N 3.37Å; Q157-F189 HydrophobicContact CG-CB 4.5Å; Q157-F189 HydrophobicContact CG-CD1 4.07Å
158E94.2Very high94.1Very high46 Ų4657.8 Ų57.822%0.21529%0.294CS..Hα-helixtrans-68.7-37177.1-166.272.7166.400112.1V130 I134 L154 C155 I156 K161 R162V130-E158 HydrophobicContact CB-CG 4.06Å; V130-E158 HydrophobicContact CG2-CG 4.39Å; I134-E158 HydrophobicContact CD1-CB 3.53Å; I134-E158 HydrophobicContact CD1-CG 3.83Å; L154-E158 PolarHBondContact O-N 2.79Å; L154-E158 VanDerWaalsContact O-N 3.12Å; C155-E158 PolarHBondContact O-N 2.81Å; I156-E158 VanDerWaalsContact C-N 3.3Å; I156-E158 PolarHBondContact O-N 2.94Å; E158-K161 PolarHBondContact O-N 2.76Å; E158-R162 WeakPolarHBondContact O-CB 3.37Å; E158-R162 PolarHBondContact O-N 2.9Å; E158-R162 IonicContact OE1-CZ 2.67Å; E158-R162 IonicContact OE1-NE 2.72Å; E158-R162 PolarHBondContact OE1-NE 3.32Å; E158-R162 IonicContact OE1-NH2 2.67Å; E158-R162 PolarHBondContact OE1-NH2 3.05Å
159V94.6Very high94Very high7 Ų761.4 Ų61.44%0.04230%0.304CS..Hα-helixtrans-59.9-49.2171.4173.60000110.4V130 C155 I156 K161 R162 L163 L167V130-V159 HydrophobicContact CG2-CB 4.35Å; V130-V159 HydrophobicContact CG2-CG2 3.56Å; C155-V159 WeakPolarHBondContact O-CG2 3.25Å; C155-V159 PolarHBondContact O-N 2.96Å; I156-V159 WeakPolarHBondContact O-CB 3.48Å; I156-V159 PolarHBondContact O-N 3.32Å; V159-K161 VanDerWaalsContact C-N 3.27Å; V159-K161 PolarHBondContact O-N 3.22Å; V159-R162 PolarHBondContact O-N 3.22Å; V159-L163 HydrophobicContact CG1-CB 4.07Å; V159-L163 HydrophobicContact CG1-CD2 3.85Å; V159-L163 WeakPolarHBondContact O-CB 3.17Å; V159-L163 PolarHBondContact O-N 2.89Å; V159-L167 HydrophobicContact CG1-CD1 4.35Å
160Q92.6Very high94Very high33 Ų3361 Ų6115%0.15430%0.299CS..Hα-helixtrans-61.9-34.4178.2-72.6-45.6-70.100113.3I156 Q157 L167 F189I156-Q160 HydrophobicContact CG2-CG 4.35Å; I156-Q160 WeakPolarHBondContact O-CG 3.34Å; I156-Q160 PolarHBondContact O-N 3.35Å; Q157-Q160 PolarHBondContact O-N 3.02Å; Q160-L167 VanDerWaalsContact NE2-C 3.32Å; Q160-L167 VanDerWaalsContact NE2-CB 3.32Å; Q160-L167 PolarHBondContact NE2-O 3.42Å; Q160-L167 PolarHBondContact OE1-O 2.98Å; Q160-F189 HydrophobicContact CB-CB 4.26Å; Q160-F189 HydrophobicContact CG-CB 3.67Å; Q160-F189 HydrophobicContact CG-CD2 4.26Å; Q160-F189 HydrophobicContact CG-CG 4.2Å
161K92.6Very high94.1Very high132 Ų13258.6 Ų58.657%0.57428%0.279SS*.Hα-helixtrans-72.8-34.9179.6-175.8173.9-179.6172.30113.3Q157 E158 V159 V191Q157-K161 WeakPolarHBondContact O-CB 3.36Å; Q157-K161 PolarHBondContact O-N 3.37Å; E158-K161 PolarHBondContact O-N 2.76Å; V159-K161 VanDerWaalsContact C-N 3.27Å; V159-K161 PolarHBondContact O-N 3.22Å; K161-V191 HydrophobicContact CB-CG2 3.99Å; K161-V191 HydrophobicContact CG-CG1 4.34Å; K161-V191 HydrophobicContact CG-CG2 4.4Å
162R93.1Very high94.1Very high164 Ų16458.1 Ų58.162%0.61928%0.276SS*.Hα-helixtrans-111.2-28.2-169.2-64-166.1-172.8-95.1-2.4115.2V130 E158 V159V130-R162 HydrophobicContact CG1-CB 4.23Å; E158-R162 WeakPolarHBondContact O-CB 3.37Å; E158-R162 PolarHBondContact O-N 2.9Å; E158-R162 IonicContact OE1-CZ 2.67Å; E158-R162 IonicContact OE1-NE 2.72Å; E158-R162 PolarHBondContact OE1-NE 3.32Å; E158-R162 IonicContact OE1-NH2 2.67Å; E158-R162 PolarHBondContact OE1-NH2 3.05Å; V159-R162 PolarHBondContact O-N 3.22Å
163L92.6Very high94.2Very high42 Ų4257.6 Ų57.622%0.2227%0.272CS..  trans-82.1136.3-177-16865.3000109.8V159 I165 L167V159-L163 HydrophobicContact CG1-CB 4.07Å; V159-L163 HydrophobicContact CG1-CD2 3.85Å; V159-L163 WeakPolarHBondContact O-CB 3.17Å; V159-L163 PolarHBondContact O-N 2.89Å; L163-I165 HydrophobicContact CD2-CB 4.16Å; L163-I165 HydrophobicContact CG-CB 4.24Å; L163-I165 HydrophobicContact CG-CG1 4.48Å; L163-I165 PolarHBondContact O-N 3.37Å; L163-L167 HydrophobicContact CD2-CD1 4.03Å
164V92.7Very high94.3Very high145 Ų14553.9 Ų53.988%0.87926%0.258SS*.SBendtrans-67.4-17179.169.40000113.3
165I91.5Very high94.4Very high82 Ų8250.4 Ų50.442%0.42124%0.24SC..SBendtrans-92.1124.1-177.8-53.8175.5000108.7L163 L167L163-I165 HydrophobicContact CD2-CB 4.16Å; L163-I165 HydrophobicContact CG-CB 4.24Å; L163-I165 HydrophobicContact CG-CG1 4.48Å; L163-I165 PolarHBondContact O-N 3.37Å; I165-L167 HydrophobicContact CG2-CD2 3.84Å; I165-L167 HydrophobicContact CG2-CG 4.13Å; I165-L167 PolarHBondContact O-N 3.37Å
166N90.1Very high94.4Very high85 Ų8550.4 Ų50.446%0.45524%0.24SC..  trans-71117.5174-178.73.9000110.1R12R12-N166 WeakPolarHBondContact CD-O 3.38Å; R12-N166 PolarHBondContact NE-O 3.49Å; R12-N166 PolarHBondContact NH1-ND2 3.18Å; R12-N166 PolarHBondContact NH1-O 3.14Å; R12-N166 VanDerWaalsContact NH1-O 3.13Å; R12-N166 PolarHBondContact NH2-ND2 3.17Å; R12-N166 VanDerWaalsContact NH2-ND2 3.12Å
167L92Very high94.4Very high22 Ų2255.5 Ų55.512%0.11526%0.262CS..  trans-129.674.9177.4-52.3170.9000109.1D10 R12 V159 Q160 L163 I165 R169 Y170D10-L167 HydrophobicContact CB-CB 4.28Å; D10-L167 HydrophobicContact CB-CD1 4.39Å; D10-L167 HydrophobicContact CB-CD2 4.08Å; D10-L167 HydrophobicContact CB-CG 4.49Å; R12-L167 HydrophobicContact CB-CD2 4.42Å; V159-L167 HydrophobicContact CG1-CD1 4.35Å; Q160-L167 VanDerWaalsContact NE2-C 3.32Å; Q160-L167 VanDerWaalsContact NE2-CB 3.32Å; Q160-L167 PolarHBondContact NE2-O 3.42Å; Q160-L167 PolarHBondContact OE1-O 2.98Å; L163-L167 HydrophobicContact CD2-CD1 4.03Å; I165-L167 HydrophobicContact CG2-CD2 3.84Å; I165-L167 HydrophobicContact CG2-CG 4.13Å; I165-L167 PolarHBondContact O-N 3.37Å; L167-R169 PolarHBondContact O-N 3.27Å; L167-Y170 HydrophobicContact CB-CE2 4Å; L167-Y170 WeakPolarHBondContact CD1-OH 3.38Å; L167-Y170 WeakPolarHBondContact O-CE2 3.47Å
168D90Very high94.4Very high62 Ų6257.9 Ų57.933%0.33228%0.277SS..  trans-78.6-13.2-169.756.8-10.1000115.9R12 F189R12-D168 IonicContact CZ-OD1 3.33Å; R12-D168 IonicContact CZ-OD2 3.7Å; R12-D168 IonicContact NE-OD1 2.76Å; R12-D168 PolarHBondContact NE-OD1 3.41Å; R12-D168 IonicContact NE-OD2 3.88Å; R12-D168 IonicContact NH2-OD1 3.12Å; R12-D168 PolarHBondContact NH2-OD1 3.03Å; R12-D168 VanDerWaalsContact NH2-OD1 3.12Å; R12-D168 IonicContact NH2-OD2 2.73Å; R12-D168 PolarHBondContact NH2-OD2 2.91Å; D168-F189 WeakPolarHBondContact O-CD2 3.18Å; D168-F189 WeakPolarHBondContact O-CE2 3.48Å
169R94.8Very high94.5Very high90 Ų9056.2 Ų56.234%0.3427%0.273SS..  trans-138.6131.5-175.9-172178.5-175.3172.91.8111.8D10 M11 L167 D185 L186 T187D10-R169 WeakPolarHBondContact CA-O 3.33Å; M11-R169 HydrophobicContact CB-CG 4.4Å; M11-R169 HydrophobicContact CG-CG 4.17Å; M11-R169 PolarHBondContact N-O 2.84Å; M11-R169 HydrophobicContact SD-CG 3.64Å; M11-R169 PolarHBondContact SD-NE 3.06Å; M11-R169 VanDerWaalsContact SD-NE 3.44Å; L167-R169 PolarHBondContact O-N 3.27Å; R169-D185 HydrophobicContact CG-CB 4.38Å; R169-D185 IonicContact CZ-OD2 3.42Å; R169-D185 VanDerWaalsContact CZ-OD2 3.26Å; R169-D185 IonicContact NE-OD2 3.7Å; R169-D185 PolarHBondContact NE-OD2 3.36Å; R169-D185 IonicContact NH2-OD2 3.27Å; R169-D185 PolarHBondContact NH2-OD2 3.41Å; R169-L186 WeakPolarHBondContact CA-O 3.41Å; R169-T187 HydrophobicContact CB-CG2 4.36Å; R169-T187 HydrophobicContact CG-CG2 3.88Å
170Y97Very high94.6Very high24 Ų2457.3 Ų57.39%0.09428%0.278CS..EExtended strand (participates in β ladder)trans-124.6127.9176.3-72.9-104.1000110.7A9 D10 I156 L167 D185 L186 F189A9-Y170 CarbonylContact O-C 3.48Å; A9-Y170 VanDerWaalsContact O-CA 3.25Å; A9-Y170 WeakPolarHBondContact O-CA 3.34Å; D10-Y170 HydrophobicContact CB-CD1 4.14Å; D10-Y170 HydrophobicContact CB-CE1 3.8Å; I156-Y170 HydrophobicContact CB-CD2 4.49Å; I156-Y170 HydrophobicContact CB-CE2 4.28Å; I156-Y170 HydrophobicContact CD1-CD1 4.04Å; I156-Y170 HydrophobicContact CD1-CD2 3.84Å; I156-Y170 HydrophobicContact CD1-CE2 4.34Å; I156-Y170 HydrophobicContact CD1-CG 3.67Å; I156-Y170 HydrophobicContact CG1-CD1 4.24Å; I156-Y170 HydrophobicContact CG1-CD2 4.07Å; I156-Y170 HydrophobicContact CG1-CE1 4.24Å; I156-Y170 HydrophobicContact CG1-CE2 4.06Å; I156-Y170 HydrophobicContact CG1-CG 4.17Å; I156-Y170 HydrophobicContact CG2-CD2 3.57Å; I156-Y170 HydrophobicContact CG2-CE2 3.27Å; I156-Y170 HydrophobicContact CG2-CG 4.47Å; L167-Y170 HydrophobicContact CB-CE2 4Å; L167-Y170 WeakPolarHBondContact CD1-OH 3.38Å; L167-Y170 WeakPolarHBondContact O-CE2 3.47Å; Y170-D185 CarbonylContact O-C 3.52Å; Y170-D185 WeakPolarHBondContact O-CA 3.14Å; Y170-L186 PolarHBondContact N-O 3.06Å; Y170-L186 PolarHBondContact O-N 3.26Å; Y170-F189 AromaticContact CD2-CE2 3.89Å; Y170-F189 HydrophobicContact CD2-CE2 3.89Å; Y170-F189 HydrophobicContact CD2-CZ 4.17Å; Y170-F189 HydrophobicContact CE2-CE2 4.44Å
171M97.4Very high94.8Very high2 Ų261.2 Ų61.21%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-74.5143.2167.177.8-167.966.300108.9A8 A9 M11 E24 L25 M27A8-M171 VanDerWaalsContact CA-O 3.23Å; A8-M171 WeakPolarHBondContact CA-O 3.25Å; A9-M171 HydrophobicContact CB-CG 4.28Å; A9-M171 HydrophobicContact CB-SD 4.45Å; A9-M171 PolarHBondContact N-O 2.87Å; A9-M171 VanDerWaalsContact N-O 3.17Å; A9-M171 PolarHBondContact O-N 3.08Å; M11-M171 HydrophobicContact CB-CE 4.43Å; M11-M171 HydrophobicContact CE-CB 4.34Å; M11-M171 HydrophobicContact CE-CE 4.17Å; M11-M171 HydrophobicContact CG-CB 4.02Å; M11-M171 HydrophobicContact CG-CE 3.61Å; M11-M171 HydrophobicContact SD-CB 3.85Å; M11-M171 HydrophobicContact SD-CE 4.4Å; E24-M171 WeakPolarHBondContact O-CE 3.47Å; L25-M171 HydrophobicContact CD2-CE 3.93Å; L25-M171 HydrophobicContact CD2-SD 4.16Å; M27-M171 HydrophobicContact CB-SD 4.26Å; M27-M171 HydrophobicContact CE-CG 3.67Å; M27-M171 HydrophobicContact CE-SD 4.21Å; M27-M171 HydrophobicContact CG-CG 4.48Å; M27-M171 HydrophobicContact CG-SD 3.8Å; M27-M171 HydrophobicContact SD-CG 4.04Å; M27-M171 HydrophobicContact SD-SD 4.02Å
172V97.6Very high95Very high1 Ų159.9 Ų59.91%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-128.4130.5177.8-175.60000110L6 L7 A8 L152 L183 L186L6-V172 HydrophobicContact CD1-CG1 3.51Å; L6-V172 HydrophobicContact CD2-CG1 4.45Å; L6-V172 HydrophobicContact CG-CG1 4.05Å; L7-V172 WeakPolarHBondContact O-CA 3.27Å; A8-V172 HydrophobicContact CB-CG2 4.19Å; L152-V172 HydrophobicContact CD2-CG1 4.14Å; L152-V172 HydrophobicContact CD2-CG2 3.86Å; V172-L183 HydrophobicContact CB-CB 4.21Å; V172-L183 HydrophobicContact CG1-CB 4.17Å; V172-L183 HydrophobicContact CG1-CD1 3.99Å; V172-L183 PolarHBondContact O-N 3.03Å; V172-L186 HydrophobicContact CG2-CB 4.48Å; V172-L186 HydrophobicContact CG2-CD1 3.63Å; V172-L186 HydrophobicContact CG2-CG 3.59Å
173R98Very high95.2Very high24 Ų2453.6 Ų53.69%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-131.4143.6179-59.1-60.5178.5-100.27.1109.3L7 M27 L35 E181 E182 L183 D185L7-R173 PolarHBondContact N-O 3.23Å; L7-R173 PolarHBondContact O-N 3.12Å; M27-R173 HydrophobicContact SD-CB 3.85Å; M27-R173 HydrophobicContact SD-CG 3.43Å; M27-R173 WeakPolarHBondContact SD-CG 3.33Å; L35-R173 HydrophobicContact CD2-CB 3.54Å; L35-R173 HydrophobicContact CD2-CG 4.13Å; R173-E181 WeakPolarHBondContact CA-O 3.47Å; R173-E182 IonicContact CZ-OE2 3.78Å; R173-E182 VanDerWaalsContact CZ-OE2 3.27Å; R173-E182 VanDerWaalsContact NE-CD 3.26Å; R173-E182 VanDerWaalsContact NE-CG 3.27Å; R173-E182 IonicContact NE-OE1 3.17Å; R173-E182 IonicContact NE-OE2 3.21Å; R173-E182 PolarHBondContact NE-OE2 2.72Å; R173-E182 IonicContact NH2-OE2 3.02Å; R173-E182 PolarHBondContact NH2-OE2 2.92Å; R173-L183 PolarHBondContact NH1-O 3.13Å; R173-D185 IonicContact NH1-OD1 2.64Å
174I97.5Very high95.3Very high5 Ų556.9 Ų56.93%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-118.7135.8177.8-170.8173.5000109.4F4 V5 L6 V145 T176 I180 E181 L183F4-I174 HydrophobicContact CB-CD1 3.74Å; F4-I174 HydrophobicContact CB-CG1 3.81Å; F4-I174 HydrophobicContact CD2-CD1 3.75Å; F4-I174 HydrophobicContact CD2-CG1 4.01Å; F4-I174 HydrophobicContact CG-CD1 3.78Å; F4-I174 HydrophobicContact CG-CG1 4.2Å; V5-I174 WeakPolarHBondContact O-CA 3.15Å; L6-I174 HydrophobicContact CD1-CB 4.14Å; L6-I174 HydrophobicContact CD1-CG1 4.49Å; V145-I174 HydrophobicContact CB-CD1 4.34Å; V145-I174 HydrophobicContact CG1-CD1 3.83Å; V145-I174 HydrophobicContact CG2-CD1 3.55Å; I174-T176 HydrophobicContact CD1-CG2 4.11Å; I174-T176 HydrophobicContact CG1-CG2 3.98Å; I174-I180 WeakPolarHBondContact O-CA 3.31Å; I174-E181 HydrophobicContact CG2-CB 3.75Å; I174-E181 HydrophobicContact CG2-CG 4.42Å; I174-E181 PolarHBondContact N-O 3.28Å; I174-E181 PolarHBondContact O-N 3.05Å; I174-L183 HydrophobicContact CB-CD1 4.23Å; I174-L183 HydrophobicContact CB-CG 4.44Å; I174-L183 HydrophobicContact CG2-CD1 4.27Å; I174-L183 HydrophobicContact CG2-CD2 4.13Å; I174-L183 HydrophobicContact CG2-CG 4.05Å
175V97.7Very high95.5Very high0 Ų051.9 Ų51.90%026%0.263CS..EExtended strand (participates in β ladder)trans-109.5122.4175.2-167.10000108.4F4 V5 R33 L35 A97 F99 I180F4-V175 VanDerWaalsContact CA-O 3.29Å; F4-V175 WeakPolarHBondContact CA-O 3.37Å; V5-V175 HydrophobicContact CB-CB 4.48Å; V5-V175 PolarHBondContact N-O 3.4Å; V5-V175 PolarHBondContact O-N 3.37Å; R33-V175 WeakPolarHBondContact O-CG1 3.29Å; L35-V175 HydrophobicContact CB-CG2 3.92Å; L35-V175 HydrophobicContact CD2-CG2 4.26Å; A97-V175 HydrophobicContact CB-CG2 4.05Å; F99-V175 HydrophobicContact CB-CG1 4.11Å; V175-I180 HydrophobicContact CG1-CG1 4.24Å; V175-I180 HydrophobicContact CG2-CG1 4.22Å
176T96.8Very high95.6Very high9 Ų948.4 Ų48.46%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-131179.8179.171.40000110.2M1 F4 F99 I174 D178 G179M1-T176 HydrophobicContact CE-CG2 4.04Å; M1-T176 HydrophobicContact SD-CG2 4.45Å; F4-T176 HydrophobicContact CB-CG2 4.01Å; F99-T176 WeakPolarHBondContact CB-O 3.11Å; F99-T176 VanDerWaalsContact CG-C 3.49Å; I174-T176 HydrophobicContact CD1-CG2 4.11Å; I174-T176 HydrophobicContact CG1-CG2 3.98Å; T176-D178 PolarHBondContact O-N 3.14Å; T176-D178 PolarHBondContact OG1-N 3.13Å; T176-G179 PolarHBondContact N-O 3.4Å; T176-G179 PolarHBondContact O-N 3.5Å
177K95.4Very high95.7Very high111 Ų11146.6 Ų46.648%0.48324%0.237SC..THydrogen-bonded Turntrans-54.9-30.1172.970.9-178.6-175.5175.30113.8M1 R33 F99M1-K177 HydrophobicContact CE-CG 4.39Å; R33-K177 WeakPolarHBondContact CD-O 3.37Å; F99-K177 VanDerWaalsContact CD1-CA 3.46Å; F99-K177 HydrophobicContact CD1-CB 3.88Å; F99-K177 HydrophobicContact CE1-CB 3.46Å; F99-K177 VanDerWaalsContact CE1-CB 3.46Å; F99-K177 HydrophobicContact CE2-CB 4.34Å; F99-K177 HydrophobicContact CG-CB 4.5Å; F99-K177 HydrophobicContact CZ-CB 3.72Å
178D94.9Very high95.4Very high129 Ų12952.2 Ų52.269%0.6927%0.267SS*.THydrogen-bonded Turntrans-87.2-12.4-173.7-59.4-51.2000111.9T176T176-D178 PolarHBondContact O-N 3.14Å; T176-D178 PolarHBondContact OG1-N 3.13Å
179G95.7Very high95Very high12 Ų1249.8 Ų49.812%0.12425%0.254CS..EExtended strand (participates in β ladder)trans133.2-159.2178.800000113.1K32 T176K32-G179 WeakPolarHBondContact O-CA 3.49Å; T176-G179 PolarHBondContact N-O 3.4Å; T176-G179 PolarHBondContact O-N 3.5Å
180I97.5Very high93.4Very high30 Ų3049.9 Ų49.915%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-100.3120.2178.3-60159.7000108.7K29 S31 K32 L35 I174 V175K29-I180 HydrophobicContact CB-CD1 4.42Å; K29-I180 HydrophobicContact CG-CD1 4.08Å; S31-I180 WeakPolarHBondContact O-CD1 3.39Å; K32-I180 WeakPolarHBondContact O-CG1 3.45Å; K32-I180 PolarHBondContact O-N 2.84Å; L35-I180 HydrophobicContact CB-CD1 3.95Å; L35-I180 HydrophobicContact CB-CG1 4.35Å; L35-I180 HydrophobicContact CD1-CD1 4.38Å; L35-I180 HydrophobicContact CD1-CG2 4.47Å; L35-I180 HydrophobicContact CD2-CG2 4Å; I174-I180 WeakPolarHBondContact O-CA 3.31Å; V175-I180 HydrophobicContact CG1-CG1 4.24Å; V175-I180 HydrophobicContact CG2-CG1 4.22Å
181E96.9Very high91.5Very high115 Ų11552.3 Ų52.354%0.53729%0.291SS..EExtended strand (participates in β ladder)trans-111.1145.8176.9180-178.7174.800111.3R173 I174R173-E181 WeakPolarHBondContact CA-O 3.47Å; I174-E181 HydrophobicContact CG2-CB 3.75Å; I174-E181 HydrophobicContact CG2-CG 4.42Å; I174-E181 PolarHBondContact N-O 3.28Å; I174-E181 PolarHBondContact O-N 3.05Å
182E96.8Very high89.2Confident104 Ų10461.7 Ų61.749%0.48633%0.331SS..EExtended strand (participates in β ladder)trans-94.5113.7177.6-46.6-155.6171.500110.7K29 R173K29-E182 IonicContact NZ-OE1 2.81Å; K29-E182 PolarHBondContact NZ-OE1 2.83Å; R173-E182 IonicContact CZ-OE2 3.78Å; R173-E182 VanDerWaalsContact CZ-OE2 3.27Å; R173-E182 VanDerWaalsContact NE-CD 3.26Å; R173-E182 VanDerWaalsContact NE-CG 3.27Å; R173-E182 IonicContact NE-OE1 3.17Å; R173-E182 IonicContact NE-OE2 3.21Å; R173-E182 PolarHBondContact NE-OE2 2.72Å; R173-E182 IonicContact NH2-OE2 3.02Å; R173-E182 PolarHBondContact NH2-OE2 2.92Å
183L96Very high86.6Confident32 Ų3274 Ų7417%0.16839%0.389CS..EExtended strand (participates in β ladder)trans-87.1159.5174.2-61.6-174.5000110.2L6 V145 V149 V172 R173 I174 D185L6-L183 HydrophobicContact CD1-CD1 3.84Å; V145-L183 HydrophobicContact CG1-CD1 4.37Å; V149-L183 HydrophobicContact CG2-CD1 4.11Å; V172-L183 HydrophobicContact CB-CB 4.21Å; V172-L183 HydrophobicContact CG1-CB 4.17Å; V172-L183 HydrophobicContact CG1-CD1 3.99Å; V172-L183 PolarHBondContact O-N 3.03Å; R173-L183 PolarHBondContact NH1-O 3.13Å; I174-L183 HydrophobicContact CB-CD1 4.23Å; I174-L183 HydrophobicContact CB-CG 4.44Å; I174-L183 HydrophobicContact CG2-CD1 4.27Å; I174-L183 HydrophobicContact CG2-CD2 4.13Å; I174-L183 HydrophobicContact CG2-CG 4.05Å; L183-D185 PolarHBondContact O-N 2.92Å
184P95.6Very high86Confident110 Ų11076.6 Ų76.671%0.71440%0.404SS*.EExtended strand (participates in β ladder)trans-54.2135.6172.7-25.434.7000111.4
185D95.8Very high85.4Confident41 Ų4180.3 Ų80.322%0.21942%0.424CS..EExtended strand (participates in β ladder)trans-58.9142.6175.7-61.7-19.2000110.1R169 Y170 R173 L183R169-D185 HydrophobicContact CG-CB 4.38Å; R169-D185 IonicContact CZ-OD2 3.42Å; R169-D185 VanDerWaalsContact CZ-OD2 3.26Å; R169-D185 IonicContact NE-OD2 3.7Å; R169-D185 PolarHBondContact NE-OD2 3.36Å; R169-D185 IonicContact NH2-OD2 3.27Å; R169-D185 PolarHBondContact NH2-OD2 3.41Å; Y170-D185 CarbonylContact O-C 3.52Å; Y170-D185 WeakPolarHBondContact O-CA 3.14Å; R173-D185 IonicContact NH1-OD1 2.64Å; L183-D185 PolarHBondContact O-N 2.92Å
186L94.6Very high84.8Confident8 Ų884.8 Ų84.84%0.04245%0.448CS..EExtended strand (participates in β ladder)trans-88.3119.3174.9-57.8175.8000108.5V149 L152 I156 R169 Y170 V172 F189V149-L186 HydrophobicContact CG1-CD2 4.06Å; L152-L186 HydrophobicContact CD2-CD1 3.61Å; L152-L186 HydrophobicContact CG-CD1 3.89Å; I156-L186 HydrophobicContact CD1-CB 4.44Å; I156-L186 HydrophobicContact CD1-CD1 3.71Å; R169-L186 WeakPolarHBondContact CA-O 3.41Å; Y170-L186 PolarHBondContact N-O 3.06Å; Y170-L186 PolarHBondContact O-N 3.26Å; V172-L186 HydrophobicContact CG2-CB 4.48Å; V172-L186 HydrophobicContact CG2-CD1 3.63Å; V172-L186 HydrophobicContact CG2-CG 3.59Å; L186-F189 VanDerWaalsContact C-CZ 3.42Å; L186-F189 HydrophobicContact CB-CE1 4.05Å; L186-F189 HydrophobicContact CB-CE2 4.44Å; L186-F189 HydrophobicContact CB-CZ 3.43Å; L186-F189 VanDerWaalsContact CB-CZ 3.43Å; L186-F189 WeakPolarHBondContact O-CE2 3.34Å; L186-F189 VanDerWaalsContact O-CZ 3.28Å; L186-F189 WeakPolarHBondContact O-CZ 3.25Å
187T92.3Very high84.1Confident48 Ų4889.2 Ų89.229%0.29447%0.471SS..  trans-124.4-176.2175570000110.2R153 R169R153-T187 PolarHBondContact NH1-O 3.46Å; R169-T187 HydrophobicContact CB-CG2 4.36Å; R169-T187 HydrophobicContact CG-CG2 3.88Å
188D84.5Confident83.3Confident140 Ų14087.9 Ų87.975%0.74947%0.47SS*.  trans63.352.1166.7-52.5-54000114.2A190D188-A190 VanDerWaalsContact C-N 3.3Å
189F81.7Confident82.6Confident11 Ų1185.1 Ų85.15%0.04846%0.455CS..  trans-94.218176.7-48.5-72.1000113.2R153 I156 Q157 Q160 D168 Y170 L186 V191R153-F189 HydrophobicContact CG-CD1 4.5Å; R153-F189 HydrophobicContact CG-CE1 4.18Å; I156-F189 HydrophobicContact CB-CD1 4.28Å; I156-F189 HydrophobicContact CB-CE1 3.9Å; I156-F189 HydrophobicContact CB-CZ 4.12Å; I156-F189 HydrophobicContact CD1-CE1 4.28Å; I156-F189 HydrophobicContact CD1-CZ 4Å; I156-F189 HydrophobicContact CG2-CD1 3.69Å; I156-F189 HydrophobicContact CG2-CD2 3.76Å; I156-F189 HydrophobicContact CG2-CE1 3.48Å; I156-F189 VanDerWaalsContact CG2-CE1 3.48Å; I156-F189 HydrophobicContact CG2-CE2 3.57Å; I156-F189 HydrophobicContact CG2-CG 3.79Å; I156-F189 HydrophobicContact CG2-CZ 3.38Å; Q157-F189 HydrophobicContact CG-CB 4.5Å; Q157-F189 HydrophobicContact CG-CD1 4.07Å; Q160-F189 HydrophobicContact CB-CB 4.26Å; Q160-F189 HydrophobicContact CG-CB 3.67Å; Q160-F189 HydrophobicContact CG-CD2 4.26Å; Q160-F189 HydrophobicContact CG-CG 4.2Å; D168-F189 WeakPolarHBondContact O-CD2 3.18Å; D168-F189 WeakPolarHBondContact O-CE2 3.48Å; Y170-F189 AromaticContact CD2-CE2 3.89Å; Y170-F189 HydrophobicContact CD2-CE2 3.89Å; Y170-F189 HydrophobicContact CD2-CZ 4.17Å; Y170-F189 HydrophobicContact CE2-CE2 4.44Å; L186-F189 VanDerWaalsContact C-CZ 3.42Å; L186-F189 HydrophobicContact CB-CE1 4.05Å; L186-F189 HydrophobicContact CB-CE2 4.44Å; L186-F189 HydrophobicContact CB-CZ 3.43Å; L186-F189 VanDerWaalsContact CB-CZ 3.43Å; L186-F189 WeakPolarHBondContact O-CE2 3.34Å; L186-F189 VanDerWaalsContact O-CZ 3.28Å; L186-F189 WeakPolarHBondContact O-CZ 3.25Å; F189-V191 PolarHBondContact O-N 2.7Å
190A61.9Low81.6Confident91 Ų9190.4 Ų90.475%0.75248%0.479SS*.  trans-50.9117.6-176.900000109.8D188 K192D188-A190 VanDerWaalsContact C-N 3.3Å; A190-K192 PolarHBondContact O-N 2.91Å
191V56.8Low80.4Confident76 Ų7695 Ų9546%0.46150%0.504SS..  trans-65.6105.8175.2-176.30000105.8K161 F189 E193K161-V191 HydrophobicContact CB-CG2 3.99Å; K161-V191 HydrophobicContact CG-CG1 4.34Å; K161-V191 HydrophobicContact CG-CG2 4.4Å; F189-V191 PolarHBondContact O-N 2.7Å; V191-E193 PolarHBondContact O-N 3.14Å
192K49.7Very low79.1Confident198 Ų19893.3 Ų93.386%0.86150%0.501SS*.  trans-66.2119.8163.6-70.3-175.5179-179.10106.3A190A190-K192 PolarHBondContact O-N 2.91Å
193E43.2Very low77.4Confident261 Ų26192.4 Ų92.4100%1.2250%0.503SS*.  trans-55.50170.5-65-174.9150.200111.6V191V191-E193 PolarHBondContact O-N 3.14Å

Retrieved 193 of 193 residues in 71.4 ms (Link to these results)