A0A077ZFN2_TRITR Loading...

DSPc domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFN2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low78.6Confident220 Ų220104.6 Ų104.6100%1.08453%0.529SS*.  0124.30-68.1-74.5-174.700108.2Q3M1-Q3 PolarHBondContact O-N 2.66Å
2P49.3Very low80.1Confident98 Ų98101.7 Ų101.764%0.63651%0.514SS*.  trans-63120.7175.924.4-30.6000109.2N4 R5P2-N4 PolarHBondContact O-N 3.27Å; P2-R5 PolarHBondContact O-N 2.62Å
3Q60.6Low81.3Confident160 Ų160104.5 Ų104.575%0.74852%0.524SS*.G310 helixtrans-56.3-11.7-176.4-70.4-177.4-10.400114.1M1 R5M1-Q3 PolarHBondContact O-N 2.66Å; Q3-R5 PolarHBondContact O-N 2.66Å
4N67.3Low82.4Confident111 Ų11198.9 Ų98.959%0.59449%0.494SS*.G310 helixtrans-71.7-4.9-178.8-75-2.5000115.3P2P2-N4 PolarHBondContact O-N 3.27Å
5R80.8Confident83.4Confident189 Ų18997.2 Ų97.271%0.71349%0.491SS*.G310 helixtrans-123.827.5179.7-65.7-165.9-176.9-174.71.7114.3P2 Q3 L40P2-R5 PolarHBondContact O-N 2.62Å; Q3-R5 PolarHBondContact O-N 2.66Å; R5-L40 HydrophobicContact CB-CD1 4.29Å; R5-L40 WeakPolarHBondContact O-CD1 3.4Å
6V90.3Very high84.3Confident84 Ų8492.6 Ų92.651%0.50947%0.472SS..  trans-109.4123.6176.2-1750000108.6R75V6-R75 VanDerWaalsContact O-CZ 3.32Å; V6-R75 PolarHBondContact O-NH1 3.01Å; V6-R75 PolarHBondContact O-NH2 3.32Å; V6-R75 VanDerWaalsContact O-NH2 3.08Å
7L94.1Very high85Confident52 Ų5288.8 Ų88.827%0.27245%0.453SS..PPolyproline II helixtrans-61.2145172.9-74173.9000110L9 L33 L37 L40 L41L7-L9 PolarHBondContact O-N 2.86Å; L7-L33 HydrophobicContact CD2-CD1 3.66Å; L7-L37 HydrophobicContact CD2-CB 4.36Å; L7-L37 WeakPolarHBondContact CD2-O 3.24Å; L7-L40 HydrophobicContact CD1-CB 4.08Å; L7-L40 HydrophobicContact CD2-CB 4.33Å; L7-L40 HydrophobicContact CG-CB 4.03Å; L7-L40 HydrophobicContact CG-CD1 4.48Å; L7-L41 HydrophobicContact CD1-CD2 3.83Å; L7-L41 HydrophobicContact CD1-CG 4.48Å; L7-L41 HydrophobicContact CD2-CD2 4.02Å; L7-L41 HydrophobicContact CD2-CG 4.34Å
8P94.8Very high85.7Confident9 Ų984.3 Ų84.36%0.05843%0.433CS..PPolyproline II helixtrans-60137.3168.54.13.8000109.8D10 W11 L33 Y76 T134P8-D10 PolarHBondContact O-N 3.11Å; P8-W11 HydrophobicContact CB-CB 3.97Å; P8-W11 HydrophobicContact CB-CG 4.46Å; P8-W11 HydrophobicContact CG-CB 3.82Å; P8-W11 HydrophobicContact CG-CG 3.87Å; P8-W11 VanDerWaalsContact O-CB 3.26Å; P8-W11 WeakPolarHBondContact O-CB 3.44Å; P8-W11 PolarHBondContact O-N 3.27Å; P8-L33 HydrophobicContact CG-CD2 4.18Å; P8-Y76 HydrophobicContact CB-CE1 4.2Å; P8-Y76 HydrophobicContact CG-CD1 4.3Å; P8-Y76 HydrophobicContact CG-CE1 3.59Å; P8-T134 HydrophobicContact CB-CG2 3.41Å; P8-T134 VanDerWaalsContact CB-CG2 3.41Å; P8-T134 HydrophobicContact CG-CG2 4.19Å
9L94.3Very high86.4Confident137 Ų13786.7 Ų86.772%0.71744%0.442SS*.THydrogen-bonded Turntrans-54.2134.8179.6-178.364.8000110.4L7 W11 H135L7-L9 PolarHBondContact O-N 2.86Å; L9-W11 PolarHBondContact O-N 3.27Å; L9-H135 PolarHBondContact O-NE2 2.93Å
10D95.4Very high87Confident88 Ų8882.9 Ų82.947%0.47142%0.423SS..THydrogen-bonded Turntrans54.512.7177.9-50.4-29.2000115.4P8 I12 E13 Y14P8-D10 PolarHBondContact O-N 3.11Å; D10-I12 PolarHBondContact O-N 2.96Å; D10-E13 HydrophobicContact CB-CG 4.19Å; D10-E13 WeakPolarHBondContact O-CB 3.36Å; D10-E13 PolarHBondContact O-N 2.68Å; D10-Y14 HydrophobicContact CB-CE2 4.31Å; D10-Y14 WeakPolarHBondContact O-CD2 3.49Å; D10-Y14 WeakPolarHBondContact O-CE2 3.26Å
11W97Very high87.5Confident3 Ų379.1 Ų79.11%0.01140%0.404CS..G310 helixtrans-57.8-29.5-176.5179.294.4000113.4P8 L9 E13 K30 T31 L33 L41 F48P8-W11 HydrophobicContact CB-CB 3.97Å; P8-W11 HydrophobicContact CB-CG 4.46Å; P8-W11 HydrophobicContact CG-CB 3.82Å; P8-W11 HydrophobicContact CG-CG 3.87Å; P8-W11 VanDerWaalsContact O-CB 3.26Å; P8-W11 WeakPolarHBondContact O-CB 3.44Å; P8-W11 PolarHBondContact O-N 3.27Å; L9-W11 PolarHBondContact O-N 3.27Å; W11-E13 VanDerWaalsContact C-N 3.33Å; W11-K30 HydrophobicContact CD2-CD 4.07Å; W11-K30 HydrophobicContact CH2-CD 4.41Å; W11-K30 VanDerWaalsContact CH2-CE 3.48Å; W11-K30 HydrophobicContact CZ2-CD 3.84Å; W11-K30 HydrophobicContact CZ2-CG 4.07Å; W11-K30 WeakPolarHBondContact O-CD 3.22Å; W11-K30 PolarHBondContact O-NZ 3.2Å; W11-T31 WeakPolarHBondContact CZ2-O 3.34Å; W11-T31 PolarHBondContact NE1-O 3.09Å; W11-L33 HydrophobicContact CD2-CD1 3.82Å; W11-L33 HydrophobicContact CD2-CG 4.35Å; W11-L33 HydrophobicContact CE3-CD1 3.92Å; W11-L33 HydrophobicContact CG-CD1 4.49Å; W11-L33 HydrophobicContact CH2-CD1 3.89Å; W11-L33 HydrophobicContact CH2-CG 4.13Å; W11-L33 HydrophobicContact CZ2-CD1 3.8Å; W11-L33 HydrophobicContact CZ2-CG 3.66Å; W11-L33 HydrophobicContact CZ3-CD1 3.97Å; W11-L41 HydrophobicContact CE3-CD2 3.99Å; W11-L41 HydrophobicContact CH2-CD1 4.25Å; W11-L41 HydrophobicContact CZ3-CD1 3.84Å; W11-L41 HydrophobicContact CZ3-CD2 3.78Å; W11-L41 HydrophobicContact CZ3-CG 4.49Å; W11-F48 HydrophobicContact CH2-CB 3.71Å; W11-F48 HydrophobicContact CZ2-CB 3.98Å; W11-F48 HydrophobicContact CZ2-CD1 4.21Å
12I96.1Very high90.2Very high69 Ų6971.2 Ų71.235%0.35437%0.369SS..G310 helixtrans-71.5-27.9179.7-163.7167.8000112.7D10 Y14 P42 C46D10-I12 PolarHBondContact O-N 2.96Å; I12-Y14 PolarHBondContact O-N 2.87Å; I12-P42 HydrophobicContact CD1-CG 3.81Å; I12-C46 HydrophobicContact CD1-CB 4.22Å
13E95.5Very high92.4Very high139 Ų13969.9 Ų69.965%0.6537%0.373SS*.G310 helixtrans-71-17.9-177.1-56.6-54.6137.200112.8D10 W11D10-E13 HydrophobicContact CB-CG 4.19Å; D10-E13 WeakPolarHBondContact O-CB 3.36Å; D10-E13 PolarHBondContact O-N 2.68Å; W11-E13 VanDerWaalsContact C-N 3.33Å
14Y97.6Very high94.2Very high25 Ų2562.7 Ų62.710%0.09834%0.34CS..SBendtrans-94.6138179.6-60.9-95.5000110.9D10 I12 K30 H135 V137 H169 E172D10-Y14 HydrophobicContact CB-CE2 4.31Å; D10-Y14 WeakPolarHBondContact O-CD2 3.49Å; D10-Y14 WeakPolarHBondContact O-CE2 3.26Å; I12-Y14 PolarHBondContact O-N 2.87Å; Y14-K30 WeakPolarHBondContact O-CD 3.46Å; Y14-K30 VanDerWaalsContact O-CE 3.29Å; Y14-K30 WeakPolarHBondContact O-CE 3.23Å; Y14-K30 PolarHBondContact O-NZ 3.38Å; Y14-H135 HydrophobicContact CD1-CB 3.88Å; Y14-H135 HydrophobicContact CD2-CB 3.81Å; Y14-H135 AromaticContact CD2-CD2 3.37Å; Y14-H135 WeakPolarHBondContact CD2-CD2 3.2Å; Y14-H135 AromaticContact CD2-CG 3.91Å; Y14-H135 HydrophobicContact CE1-CB 3.87Å; Y14-H135 HydrophobicContact CE2-CB 3.82Å; Y14-H135 AromaticContact CE2-CD2 3.13Å; Y14-H135 WeakPolarHBondContact CE2-CD2 3.38Å; Y14-H135 AromaticContact CE2-CG 3.63Å; Y14-H135 AromaticContact CE2-NE2 3.92Å; Y14-H135 HydrophobicContact CG-CB 3.82Å; Y14-H135 AromaticContact CZ-CD2 3.86Å; Y14-H135 AromaticContact CZ-CG 3.91Å; Y14-V137 HydrophobicContact CD1-CG2 3.64Å; Y14-V137 HydrophobicContact CE1-CG2 3.76Å; Y14-H169 AromaticContact CD1-CE1 3.97Å; Y14-H169 AromaticContact CD1-ND1 3.65Å; Y14-E172 VanDerWaalsContact CE1-OE1 3.28Å; Y14-E172 WeakPolarHBondContact CE1-OE1 3.37Å; Y14-E172 VanDerWaalsContact CZ-OE1 3.28Å; Y14-E172 PolarHBondContact OH-OE1 2.7Å; Y14-E172 PolarHBondContact OH-OE2 3.44Å
15T97.1Very high95.6Very high74 Ų7457.7 Ų57.745%0.45431%0.313SS..  trans-61.7147.1170.359.30000110.4R167 H169T15-R167 PolarHBondContact O-NH1 2.8Å; T15-R167 PolarHBondContact O-NH2 3.24Å; T15-R167 PolarHBondContact OG1-NH1 2.9Å; T15-H169 PolarHBondContact N-NE2 3.4Å; T15-H169 PolarHBondContact OG1-CD2 3.07Å; T15-H169 PolarHBondContact OG1-NE2 3.21Å
16A97Very high96.5Very high23 Ų2348.7 Ų48.719%0.1928%0.28CS..SBendtrans-57.2-54.3-175.300000113.5S29 K30 F48A16-S29 WeakPolarHBondContact O-CA 3.38Å; A16-S29 PolarHBondContact O-OG 2.93Å; A16-K30 PolarHBondContact O-N 3.37Å; A16-K30 VanDerWaalsContact O-N 3.11Å; A16-F48 HydrophobicContact CB-CB 4.37Å; A16-F48 HydrophobicContact CB-CD1 4.21Å; A16-F48 HydrophobicContact CB-CD2 3.54Å; A16-F48 HydrophobicContact CB-CE1 4.37Å; A16-F48 HydrophobicContact CB-CE2 3.72Å; A16-F48 HydrophobicContact CB-CG 3.79Å; A16-F48 HydrophobicContact CB-CZ 4.11Å
17L96.8Very high96.9Very high28 Ų2844.8 Ų44.815%0.14726%0.256CS..BIsolated β-bridgetrans-134.9139.9-168.3-165.769.4000110.2I27 L53 E56 I57L17-I27 HydrophobicContact CD1-CG2 3.43Å; L17-I27 VanDerWaalsContact CD1-CG2 3.43Å; L17-I27 HydrophobicContact CD2-CG2 4.37Å; L17-I27 HydrophobicContact CG-CG2 3.78Å; L17-L53 HydrophobicContact CD1-CD1 3.68Å; L17-E56 HydrophobicContact CD2-CB 3.89Å; L17-I57 HydrophobicContact CD1-CD1 4.24Å; L17-I57 HydrophobicContact CD1-CG1 4.08Å; L17-I57 HydrophobicContact CD2-CG1 3.6Å; L17-I57 HydrophobicContact CG-CG1 4.46Å
18G98Very high97.1Very high8 Ų842.6 Ų42.68%0.08225%0.245CC..  trans-82.8178.416400000112.1I27 A28 Y166G18-I27 WeakPolarHBondContact O-CG2 3.37Å; G18-A28 PolarHBondContact N-O 3.47Å; G18-Y166 CarbonylContact C-O 3.55Å; G18-Y166 VanDerWaalsContact CA-O 3.28Å; G18-Y166 WeakPolarHBondContact CA-O 3.42Å
19Q98.2Very high97.3Very high131 Ų13142.1 Ų42.161%0.61224%0.242SC*.PPolyproline II helixtrans-86.9163.5168.4-68-179.8-5.500110.7I21 Y166Q19-I21 PolarHBondContact O-N 2.92Å; Q19-Y166 HydrophobicContact CB-CD1 3.82Å; Q19-Y166 PolarHBondContact N-O 2.74Å
20C98.4Very high97.4Very high9 Ų936.1 Ų36.16%0.06121%0.21CC..PPolyproline II helixtrans-68.5126.5171.2-168.90000109.3P22 T24 F26 I27 Y62C20-P22 WeakPolarHBondContact O-CD 3.28Å; C20-T24 PolarHBondContact SG-O 3.03Å; C20-T24 VanDerWaalsContact SG-O 3.32Å; C20-F26 WeakPolarHBondContact CA-O 3.42Å; C20-I27 HydrophobicContact CB-CD1 4.24Å; C20-I27 HydrophobicContact CB-CG1 3.79Å; C20-Y62 HydrophobicContact CB-CD2 4.5Å; C20-Y62 HydrophobicContact CB-CE1 3.93Å; C20-Y62 HydrophobicContact CB-CE2 3.79Å; C20-Y62 VanDerWaalsContact CB-CZ 3.47Å; C20-Y62 WeakPolarHBondContact CB-OH 3.32Å
21I98.5Very high97.6Very high5 Ų532 Ų323%0.02619%0.188CC..PPolyproline II helixtrans-65.1122.1176.2-57.9169.8000107.9Q19 T24 F26 I144 W154 R162 F163 Y166Q19-I21 PolarHBondContact O-N 2.92Å; I21-T24 HydrophobicContact CB-CG2 4.23Å; I21-T24 WeakPolarHBondContact CB-OG1 3.47Å; I21-T24 HydrophobicContact CG2-CG2 4.02Å; I21-T24 WeakPolarHBondContact O-CB 3.45Å; I21-T24 PolarHBondContact O-N 2.9Å; I21-T24 PolarHBondContact O-OG1 3.27Å; I21-F26 PolarHBondContact N-O 3.41Å; I21-F26 VanDerWaalsContact N-O 3.11Å; I21-I144 HydrophobicContact CD1-CG2 3.91Å; I21-W154 HydrophobicContact CG2-CH2 3.92Å; I21-W154 HydrophobicContact CG2-CZ3 4.26Å; I21-R162 HydrophobicContact CG2-CB 4.18Å; I21-F163 HydrophobicContact CD1-CB 4.45Å; I21-F163 HydrophobicContact CD1-CD2 4.26Å; I21-Y166 HydrophobicContact CG2-CD2 4.49Å
22P97.1Very high97.7Very high53 Ų5331.8 Ų31.834%0.34419%0.187SC..THydrogen-bonded Turntrans-58.2143.6-177-26.234.3000112.7C20 T24 Y166C20-P22 WeakPolarHBondContact O-CD 3.28Å; P22-T24 PolarHBondContact O-N 3.36Å; P22-Y166 VanDerWaalsContact CD-CE1 3.42Å; P22-Y166 HydrophobicContact CG-CD1 4.36Å; P22-Y166 HydrophobicContact CG-CE1 3.57Å; P22-Y166 HydrophobicContact CG-CE2 3.82Å; P22-Y166 VanDerWaalsContact CG-OH 3.25Å; P22-Y166 WeakPolarHBondContact CG-OH 3.35Å
23G95.7Very high97.7Very high71 Ų7128.5 Ų28.573%0.73217%0.17SC*.THydrogen-bonded Turntrans76.31.5-174.200000113.9
24T97.3Very high97.8Very high9 Ų922.7 Ų22.76%0.05515%0.148CC..SBendtrans-130.3177.2178.587.40000111.2C20 I21 P22 F26 W122 L148 W154C20-T24 PolarHBondContact SG-O 3.03Å; C20-T24 VanDerWaalsContact SG-O 3.32Å; I21-T24 HydrophobicContact CB-CG2 4.23Å; I21-T24 WeakPolarHBondContact CB-OG1 3.47Å; I21-T24 HydrophobicContact CG2-CG2 4.02Å; I21-T24 WeakPolarHBondContact O-CB 3.45Å; I21-T24 PolarHBondContact O-N 2.9Å; I21-T24 PolarHBondContact O-OG1 3.27Å; P22-T24 PolarHBondContact O-N 3.36Å; T24-F26 PolarHBondContact OG1-N 3.37Å; T24-F26 VanDerWaalsContact OG1-N 3.15Å; T24-W122 VanDerWaalsContact C-CH2 3.48Å; T24-W122 WeakPolarHBondContact O-CZ3 3.43Å; T24-L148 HydrophobicContact CG2-CD1 4.47Å; T24-L148 HydrophobicContact CG2-CD2 3.74Å; T24-W154 HydrophobicContact CG2-CH2 3.96Å; T24-W154 HydrophobicContact CG2-CZ2 3.74Å
25F97.7Very high97.6Very high6 Ų627.4 Ų27.43%0.02617%0.171CC..  trans-111.115.2173.544.3-96.3000112.3V112 F115 K116 W122 V128 I129F25-V112 HydrophobicContact CE2-CG1 3.64Å; F25-V112 HydrophobicContact CZ-CG1 3.6Å; F25-F115 HydrophobicContact CB-CE1 3.86Å; F25-F115 HydrophobicContact CB-CZ 4.14Å; F25-F115 HydrophobicContact CD1-CE1 4.06Å; F25-F115 AromaticContact CD2-CD1 3.94Å; F25-F115 HydrophobicContact CD2-CD1 3.94Å; F25-F115 AromaticContact CD2-CE1 3.67Å; F25-F115 HydrophobicContact CD2-CE1 3.67Å; F25-F115 HydrophobicContact CD2-CZ 4.39Å; F25-F115 HydrophobicContact CE2-CD1 4.12Å; F25-F115 HydrophobicContact CE2-CE1 4.28Å; F25-F115 HydrophobicContact CG-CD1 4.19Å; F25-F115 AromaticContact CG-CE1 3.54Å; F25-F115 HydrophobicContact CG-CE1 3.54Å; F25-F115 HydrophobicContact CG-CZ 4.28Å; F25-K116 HydrophobicContact CE1-CD 3.78Å; F25-K116 HydrophobicContact CE1-CG 3.57Å; F25-K116 HydrophobicContact CZ-CD 3.78Å; F25-K116 HydrophobicContact CZ-CG 3.61Å; F25-W122 HydrophobicContact CB-CD2 3.94Å; F25-W122 HydrophobicContact CB-CE3 3.65Å; F25-W122 HydrophobicContact CB-CG 4.39Å; F25-W122 HydrophobicContact CB-CZ3 4.13Å; F25-W122 AromaticContact CD1-CD2 3.65Å; F25-W122 HydrophobicContact CD1-CD2 3.65Å; F25-W122 AromaticContact CD1-CE2 3.55Å; F25-W122 HydrophobicContact CD1-CE3 4.07Å; F25-W122 HydrophobicContact CD1-CG 4.05Å; F25-W122 HydrophobicContact CD1-CH2 4.3Å; F25-W122 AromaticContact CD1-CZ2 3.89Å; F25-W122 HydrophobicContact CD1-CZ2 3.89Å; F25-W122 HydrophobicContact CD1-CZ3 4.39Å; F25-W122 AromaticContact CD1-NE1 3.84Å; F25-W122 HydrophobicContact CE1-CZ2 4.5Å; F25-W122 HydrophobicContact CG-CD2 4.25Å; F25-W122 HydrophobicContact CG-CE3 4.38Å; F25-V128 CarbonylContact O-C 3.43Å; F25-V128 VanDerWaalsContact O-CA 3.31Å; F25-V128 WeakPolarHBondContact O-CA 3.41Å; F25-V128 WeakPolarHBondContact O-CB 3.27Å; F25-I129 HydrophobicContact CD2-CB 4.38Å; F25-I129 HydrophobicContact CD2-CD1 3.78Å; F25-I129 HydrophobicContact CD2-CG1 3.85Å; F25-I129 HydrophobicContact CE2-CD1 3.68Å; F25-I129 HydrophobicContact CE2-CG1 4.28Å; F25-I129 PolarHBondContact O-N 3.36Å
26F98.7Very high97.4Very high0 Ų032.4 Ų32.40%019%0.186CC..EExtended strand (participates in β ladder)trans-92.9128.3-176.3-69.8-65.8000112.3C20 I21 T24 F108 V112 I129 V131 I144 Y147 L148C20-F26 WeakPolarHBondContact CA-O 3.42Å; I21-F26 PolarHBondContact N-O 3.41Å; I21-F26 VanDerWaalsContact N-O 3.11Å; T24-F26 PolarHBondContact OG1-N 3.37Å; T24-F26 VanDerWaalsContact OG1-N 3.15Å; F26-F108 HydrophobicContact CE1-CE1 4.42Å; F26-F108 AromaticContact CE1-CZ 3.89Å; F26-F108 HydrophobicContact CE1-CZ 3.89Å; F26-F108 HydrophobicContact CZ-CE1 4.38Å; F26-F108 HydrophobicContact CZ-CZ 4.28Å; F26-V112 HydrophobicContact CE1-CG1 4.48Å; F26-V112 HydrophobicContact CE1-CG2 3.78Å; F26-V112 HydrophobicContact CZ-CB 4.46Å; F26-V112 HydrophobicContact CZ-CG1 3.84Å; F26-V112 HydrophobicContact CZ-CG2 3.73Å; F26-I129 HydrophobicContact CD1-CB 4.33Å; F26-I129 HydrophobicContact CE1-CD1 4.29Å; F26-V131 HydrophobicContact CD1-CG2 3.89Å; F26-V131 HydrophobicContact CE1-CG2 4.2Å; F26-I144 HydrophobicContact CB-CD1 4.2Å; F26-I144 HydrophobicContact CB-CG1 4.4Å; F26-I144 HydrophobicContact CB-CG2 4.39Å; F26-I144 HydrophobicContact CD1-CD1 4.48Å; F26-I144 HydrophobicContact CD1-CG1 4.05Å; F26-I144 HydrophobicContact CD2-CG2 4.13Å; F26-I144 HydrophobicContact CE1-CG1 4.45Å; F26-I144 HydrophobicContact CG-CD1 4.46Å; F26-I144 HydrophobicContact CG-CG1 4.14Å; F26-I144 HydrophobicContact CG-CG2 4.26Å; F26-Y147 AromaticContact CE2-CD1 3.6Å; F26-Y147 HydrophobicContact CE2-CD1 3.6Å; F26-Y147 AromaticContact CE2-CE1 3.94Å; F26-Y147 HydrophobicContact CE2-CE1 3.94Å; F26-Y147 HydrophobicContact CE2-CG 4.46Å; F26-Y147 AromaticContact CZ-CD1 3.74Å; F26-Y147 HydrophobicContact CZ-CD1 3.74Å; F26-Y147 HydrophobicContact CZ-CE1 4.11Å; F26-Y147 HydrophobicContact CZ-CG 4.22Å; F26-L148 HydrophobicContact CD2-CD2 4.27Å; F26-L148 HydrophobicContact CE2-CD2 4.15Å
27I98.7Very high97.3Very high2 Ų231.5 Ų31.51%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-117.2130.6162.4-61.8179000107.7L17 G18 C20 I57 Y62 V128 I129 C130 V131L17-I27 HydrophobicContact CD1-CG2 3.43Å; L17-I27 VanDerWaalsContact CD1-CG2 3.43Å; L17-I27 HydrophobicContact CD2-CG2 4.37Å; L17-I27 HydrophobicContact CG-CG2 3.78Å; G18-I27 WeakPolarHBondContact O-CG2 3.37Å; C20-I27 HydrophobicContact CB-CD1 4.24Å; C20-I27 HydrophobicContact CB-CG1 3.79Å; I27-I57 HydrophobicContact CD1-CD1 4.43Å; I27-I57 HydrophobicContact CD1-CG1 4.16Å; I27-I57 HydrophobicContact CD1-CG2 4.2Å; I27-Y62 HydrophobicContact CD1-CD2 4.19Å; I27-Y62 HydrophobicContact CD1-CG 4.41Å; I27-V128 HydrophobicContact CD1-CB 4.22Å; I27-V128 HydrophobicContact CD1-CG1 4.2Å; I27-V128 HydrophobicContact CD1-CG2 3.88Å; I27-V128 HydrophobicContact CG1-CB 4.41Å; I27-V128 HydrophobicContact CG1-CG1 4.44Å; I27-I129 PolarHBondContact N-O 2.66Å; I27-C130 CarbonylContact O-C 3.6Å; I27-C130 VanDerWaalsContact O-CA 3.29Å; I27-C130 WeakPolarHBondContact O-CA 3.34Å; I27-V131 PolarHBondContact O-N 2.99Å
28A98.7Very high97.3Very high5 Ų530.1 Ų30.14%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-98.3144.5173.700000110.9G18 V131 I144 F163G18-A28 PolarHBondContact N-O 3.47Å; A28-V131 WeakPolarHBondContact CA-O 3.06Å; A28-I144 HydrophobicContact CB-CD1 4.06Å; A28-F163 HydrophobicContact CB-CE2 3.62Å; A28-F163 HydrophobicContact CB-CZ 4.16Å
29S98.6Very high97.1Very high0 Ų033.4 Ų33.40%020%0.197CC..EExtended strand (participates in β ladder)trans-145.7147.9-176.7-170.60000111.2A16 F48 V131 C132 S133 G136A16-S29 WeakPolarHBondContact O-CA 3.38Å; A16-S29 PolarHBondContact O-OG 2.93Å; S29-F48 VanDerWaalsContact OG-CE1 3.22Å; S29-F48 WeakPolarHBondContact OG-CE1 3.06Å; S29-F48 VanDerWaalsContact OG-CZ 3.25Å; S29-F48 WeakPolarHBondContact OG-CZ 3.34Å; S29-V131 PolarHBondContact N-O 2.88Å; S29-V131 VanDerWaalsContact N-O 3.08Å; S29-C132 VanDerWaalsContact O-CA 3.24Å; S29-C132 WeakPolarHBondContact O-CA 3.39Å; S29-C132 WeakPolarHBondContact O-CB 3.29Å; S29-S133 PolarHBondContact O-N 3.45Å; S29-G136 VanDerWaalsContact C-CA 3.47Å; S29-G136 WeakPolarHBondContact O-CA 3.49Å
30K98.4Very high96.9Very high11 Ų1130.9 Ų30.95%0.04819%0.188CC..EExtended strand (participates in β ladder)trans-63.4157160.972.5-176.1-178174.50109.1W11 Y14 A16 F48 S133 H135W11-K30 HydrophobicContact CD2-CD 4.07Å; W11-K30 HydrophobicContact CH2-CD 4.41Å; W11-K30 VanDerWaalsContact CH2-CE 3.48Å; W11-K30 HydrophobicContact CZ2-CD 3.84Å; W11-K30 HydrophobicContact CZ2-CG 4.07Å; W11-K30 WeakPolarHBondContact O-CD 3.22Å; W11-K30 PolarHBondContact O-NZ 3.2Å; Y14-K30 WeakPolarHBondContact O-CD 3.46Å; Y14-K30 VanDerWaalsContact O-CE 3.29Å; Y14-K30 WeakPolarHBondContact O-CE 3.23Å; Y14-K30 PolarHBondContact O-NZ 3.38Å; A16-K30 PolarHBondContact O-N 3.37Å; A16-K30 VanDerWaalsContact O-N 3.11Å; K30-F48 HydrophobicContact CG-CD1 4.05Å; K30-F48 HydrophobicContact CG-CE1 4.3Å; K30-F48 WeakPolarHBondContact O-CE1 3.42Å; K30-S133 CarbonylContact C-O 3.47Å; K30-H135 WeakPolarHBondContact CB-O 3.39Å
31T98.2Very high96.7Very high0 Ų031.2 Ų31.20%019%0.189CC..PPolyproline II helixtrans-63.9132.4-178.6-175.40000108.5W11 L33 T71 Y76 Y77 S133 T134W11-T31 WeakPolarHBondContact CZ2-O 3.34Å; W11-T31 PolarHBondContact NE1-O 3.09Å; T31-L33 HydrophobicContact CG2-CD2 4.29Å; T31-T71 HydrophobicContact CG2-CG2 4.32Å; T31-Y76 HydrophobicContact CG2-CD2 3.54Å; T31-Y76 HydrophobicContact CG2-CE2 3.8Å; T31-Y76 HydrophobicContact CG2-CG 4.04Å; T31-Y77 WeakPolarHBondContact OG1-CE1 3.05Å; T31-S133 WeakPolarHBondContact CA-O 3.45Å; T31-S133 WeakPolarHBondContact CB-O 3.38Å; T31-S133 PolarHBondContact N-O 2.87Å; T31-T134 PolarHBondContact N-O 2.54Å
32P98.3Very high96.5Very high0 Ų036.1 Ų36.10%022%0.22CC..PPolyproline II helixtrans-62.9157.5167.227.1-32.1000109.7F48 T49 P50 L53 Y77P32-F48 CarbonylContact C-O 3.56Å; P32-F48 WeakPolarHBondContact CA-O 3.33Å; P32-F48 HydrophobicContact CB-CD1 4.11Å; P32-F48 HydrophobicContact CB-CE1 4.12Å; P32-F48 WeakPolarHBondContact CB-O 3.4Å; P32-T49 VanDerWaalsContact CB-C 3.46Å; P32-P50 HydrophobicContact CB-CG 3.97Å; P32-P50 HydrophobicContact CG-CB 4.45Å; P32-P50 HydrophobicContact CG-CG 4.01Å; P32-L53 HydrophobicContact CG-CD2 4.24Å; P32-Y77 HydrophobicContact CG-CD1 3.92Å; P32-Y77 HydrophobicContact CG-CE1 3.76Å; P32-Y77 HydrophobicContact CG-CG 4.48Å; P32-Y77 WeakPolarHBondContact O-CD1 3.22Å
33L97.8Very high96.3Very high0 Ų036.3 Ų36.30%022%0.223CC..  trans-115.1135.2174.6-61.5-178.9000109.2L7 P8 W11 T31 L37 S38 L41 F48 T49 Y76L7-L33 HydrophobicContact CD2-CD1 3.66Å; P8-L33 HydrophobicContact CG-CD2 4.18Å; W11-L33 HydrophobicContact CD2-CD1 3.82Å; W11-L33 HydrophobicContact CD2-CG 4.35Å; W11-L33 HydrophobicContact CE3-CD1 3.92Å; W11-L33 HydrophobicContact CG-CD1 4.49Å; W11-L33 HydrophobicContact CH2-CD1 3.89Å; W11-L33 HydrophobicContact CH2-CG 4.13Å; W11-L33 HydrophobicContact CZ2-CD1 3.8Å; W11-L33 HydrophobicContact CZ2-CG 3.66Å; W11-L33 HydrophobicContact CZ3-CD1 3.97Å; T31-L33 HydrophobicContact CG2-CD2 4.29Å; L33-L37 HydrophobicContact CB-CB 4.08Å; L33-L37 HydrophobicContact CD1-CB 4.32Å; L33-L37 HydrophobicContact CD2-CB 4.4Å; L33-L37 HydrophobicContact CD2-CD1 3.99Å; L33-S38 PolarHBondContact O-OG 2.65Å; L33-L41 HydrophobicContact CD1-CD1 4.48Å; L33-F48 PolarHBondContact N-O 3.07Å; L33-T49 VanDerWaalsContact O-CA 3.31Å; L33-T49 WeakPolarHBondContact O-CA 3.37Å; L33-T49 WeakPolarHBondContact O-CG2 3.36Å; L33-Y76 HydrophobicContact CD2-CD1 3.89Å; L33-Y76 HydrophobicContact CD2-CG 4.16Å
34G96.5Very high96.1Very high17 Ų1736.2 Ų36.218%0.17522%0.215CC..  trans-72.7164.1172.200000110.9K36 L37 S38 Y76G34-K36 PolarHBondContact O-N 2.94Å; G34-L37 PolarHBondContact O-N 3.01Å; G34-S38 PolarHBondContact O-N 3.3Å; G34-S38 PolarHBondContact O-OG 3.45Å; G34-Y76 PolarHBondContact N-O 3.48Å
35E93.4Very high95.8Very high124 Ų12443.3 Ų43.358%0.57925%0.253SS*.Hα-helixtrans-48.3-39.1-171.8-57.4-53.7145.500114.5L37 S38 A39E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 3.49Å; E35-S38 PolarHBondContact O-N 3.21Å; E35-A39 WeakPolarHBondContact O-CB 3.18Å; E35-A39 PolarHBondContact O-N 3.43Å
36K93.1Very high95.6Very high178 Ų17844.8 Ų44.877%0.77426%0.263SS*.Hα-helixtrans-63.4-36.2-179.3-66.6-177.5-178.4175.20113.6G34G34-K36 PolarHBondContact O-N 2.94Å
37L95.6Very high95.5Very high4 Ų447 Ų472%0.02127%0.273CS..Hα-helixtrans-87.6-37177.5-72.6175.9000110.7L7 L33 G34 E35 A39 L40 Y76L7-L37 HydrophobicContact CD2-CB 4.36Å; L7-L37 WeakPolarHBondContact CD2-O 3.24Å; L33-L37 HydrophobicContact CB-CB 4.08Å; L33-L37 HydrophobicContact CD1-CB 4.32Å; L33-L37 HydrophobicContact CD2-CB 4.4Å; L33-L37 HydrophobicContact CD2-CD1 3.99Å; G34-L37 PolarHBondContact O-N 3.01Å; E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 3.49Å; L37-A39 PolarHBondContact O-N 3.18Å; L37-L40 HydrophobicContact CD2-CD1 4.06Å; L37-L40 WeakPolarHBondContact O-CB 3.44Å; L37-L40 PolarHBondContact O-N 3.22Å; L37-Y76 HydrophobicContact CD1-CD1 3.8Å
38S95.4Very high95.5Very high0 Ų047.1 Ų47.10%027%0.274CS..Hα-helixtrans-58.7-36.6175.2-57.60000112.1L33 G34 E35 L40 L41 H47L33-S38 PolarHBondContact O-OG 2.65Å; G34-S38 PolarHBondContact O-N 3.3Å; G34-S38 PolarHBondContact O-OG 3.45Å; E35-S38 PolarHBondContact O-N 3.21Å; S38-L40 PolarHBondContact O-N 2.94Å; S38-L41 VanDerWaalsContact O-CB 3.23Å; S38-L41 WeakPolarHBondContact O-CB 3.44Å; S38-L41 WeakPolarHBondContact O-CG 3.44Å; S38-L41 PolarHBondContact O-N 3.37Å; S38-H47 PolarHBondContact O-NE2 2.85Å; S38-H47 VanDerWaalsContact O-NE2 3.15Å
39A94.1Very high95.4Very high77 Ų7747.2 Ų47.264%0.63627%0.274SS*.THydrogen-bonded Turntrans-62.6-10.5174.800000115.1E35 L37E35-A39 WeakPolarHBondContact O-CB 3.18Å; E35-A39 PolarHBondContact O-N 3.43Å; L37-A39 PolarHBondContact O-N 3.18Å
40L94.3Very high95.4Very high78 Ų7847.6 Ų47.641%0.40828%0.276SS..THydrogen-bonded Turntrans-93-7.2174-53.4175.3000112.4R5 L7 L37 S38R5-L40 HydrophobicContact CB-CD1 4.29Å; R5-L40 WeakPolarHBondContact O-CD1 3.4Å; L7-L40 HydrophobicContact CD1-CB 4.08Å; L7-L40 HydrophobicContact CD2-CB 4.33Å; L7-L40 HydrophobicContact CG-CB 4.03Å; L7-L40 HydrophobicContact CG-CD1 4.48Å; L37-L40 HydrophobicContact CD2-CD1 4.06Å; L37-L40 WeakPolarHBondContact O-CB 3.44Å; L37-L40 PolarHBondContact O-N 3.22Å; S38-L40 PolarHBondContact O-N 2.94Å
41L95Very high95.2Very high16 Ų1648.9 Ų48.98%0.08429%0.285CS..SBendtrans-74.2154.5178.2-64.5167000110.6L7 W11 L33 S38 C43 C46L7-L41 HydrophobicContact CD1-CD2 3.83Å; L7-L41 HydrophobicContact CD1-CG 4.48Å; L7-L41 HydrophobicContact CD2-CD2 4.02Å; L7-L41 HydrophobicContact CD2-CG 4.34Å; W11-L41 HydrophobicContact CE3-CD2 3.99Å; W11-L41 HydrophobicContact CH2-CD1 4.25Å; W11-L41 HydrophobicContact CZ3-CD1 3.84Å; W11-L41 HydrophobicContact CZ3-CD2 3.78Å; W11-L41 HydrophobicContact CZ3-CG 4.49Å; L33-L41 HydrophobicContact CD1-CD1 4.48Å; S38-L41 VanDerWaalsContact O-CB 3.23Å; S38-L41 WeakPolarHBondContact O-CB 3.44Å; S38-L41 WeakPolarHBondContact O-CG 3.44Å; S38-L41 PolarHBondContact O-N 3.37Å; L41-C43 VanDerWaalsContact C-N 3.31Å; L41-C43 PolarHBondContact O-N 3.31Å; L41-C46 HydrophobicContact CB-CB 4.16Å; L41-C46 HydrophobicContact CD1-CB 4.46Å; L41-C46 WeakPolarHBondContact CD1-O 3.39Å
42P93.2Very high95.2Very high107 Ų10751.4 Ų51.470%0.69530%0.297SS*.SBendtrans-61.2-33.6-174.3-25.335.4000114.7I12I12-P42 HydrophobicContact CD1-CG 3.81Å
43C92.8Very high95.2Very high58 Ų5851.4 Ų51.439%0.39230%0.297SS..SBendtrans-154.1167178690000112.2L41 D45 C46 H47L41-C43 VanDerWaalsContact C-N 3.31Å; L41-C43 PolarHBondContact O-N 3.31Å; C43-D45 VanDerWaalsContact C-N 3.27Å; C43-D45 PolarHBondContact O-N 3.19Å; C43-C46 WeakPolarHBondContact O-CB 3.46Å; C43-C46 PolarHBondContact O-N 3.45Å; C43-C46 VanDerWaalsContact O-N 3.11Å; C43-C46 PolarHBondContact SG-SG 3.5Å; C43-H47 PolarHBondContact O-CD2 3.47Å; C43-H47 VanDerWaalsContact O-CD2 3.32Å
44A91.4Very high95.1Very high68 Ų6853.6 Ų53.656%0.56231%0.306SS*.G310 helixtrans-61.5-32.7179.900000113.2C46 H47A44-C46 PolarHBondContact O-N 3.06Å; A44-H47 WeakPolarHBondContact O-CB 3.19Å; A44-H47 PolarHBondContact O-N 3.14Å
45D91.9Very high95.1Very high159 Ų15958.8 Ų58.885%0.8532%0.324SS*.G310 helixtrans-68.8-20.6178.2-64.1-26000112.5C43 H47C43-D45 VanDerWaalsContact C-N 3.27Å; C43-D45 PolarHBondContact O-N 3.19Å; D45-H47 VanDerWaalsContact C-N 3.26Å; D45-H47 PolarHBondContact O-N 3.31Å
46C94.1Very high95.3Very high36 Ų3655.7 Ų55.724%0.24331%0.31CS..G310 helixtrans-78.1-10.1172-61.40000113.1I12 L41 C43 A44 F48I12-C46 HydrophobicContact CD1-CB 4.22Å; L41-C46 HydrophobicContact CB-CB 4.16Å; L41-C46 HydrophobicContact CD1-CB 4.46Å; L41-C46 WeakPolarHBondContact CD1-O 3.39Å; C43-C46 WeakPolarHBondContact O-CB 3.46Å; C43-C46 PolarHBondContact O-N 3.45Å; C43-C46 VanDerWaalsContact O-N 3.11Å; C43-C46 PolarHBondContact SG-SG 3.5Å; A44-C46 PolarHBondContact O-N 3.06Å; C46-F48 PolarHBondContact O-N 3.44Å
47H96Very high95.5Very high48 Ų4847.2 Ų47.222%0.22227%0.273CS..  trans-65.7137.3-177.3-72.4-157.6000110.8S38 C43 A44 D45 Q52S38-H47 PolarHBondContact O-NE2 2.85Å; S38-H47 VanDerWaalsContact O-NE2 3.15Å; C43-H47 PolarHBondContact O-CD2 3.47Å; C43-H47 VanDerWaalsContact O-CD2 3.32Å; A44-H47 WeakPolarHBondContact O-CB 3.19Å; A44-H47 PolarHBondContact O-N 3.14Å; D45-H47 VanDerWaalsContact C-N 3.26Å; D45-H47 PolarHBondContact O-N 3.31Å; H47-Q52 VanDerWaalsContact O-CD 3.27Å; H47-Q52 PolarHBondContact O-NE2 3.33Å; H47-Q52 PolarHBondContact O-OE1 2.69Å; H47-Q52 VanDerWaalsContact O-OE1 3.09Å
48F98Very high95.6Very high3 Ų353.8 Ų53.81%0.01330%0.301CS..  trans-139.892.1166.3-179.3-117.3000109W11 A16 S29 K30 P32 L33 C46 Q52 L53 E56W11-F48 HydrophobicContact CH2-CB 3.71Å; W11-F48 HydrophobicContact CZ2-CB 3.98Å; W11-F48 HydrophobicContact CZ2-CD1 4.21Å; A16-F48 HydrophobicContact CB-CB 4.37Å; A16-F48 HydrophobicContact CB-CD1 4.21Å; A16-F48 HydrophobicContact CB-CD2 3.54Å; A16-F48 HydrophobicContact CB-CE1 4.37Å; A16-F48 HydrophobicContact CB-CE2 3.72Å; A16-F48 HydrophobicContact CB-CG 3.79Å; A16-F48 HydrophobicContact CB-CZ 4.11Å; S29-F48 VanDerWaalsContact OG-CE1 3.22Å; S29-F48 WeakPolarHBondContact OG-CE1 3.06Å; S29-F48 VanDerWaalsContact OG-CZ 3.25Å; S29-F48 WeakPolarHBondContact OG-CZ 3.34Å; K30-F48 HydrophobicContact CG-CD1 4.05Å; K30-F48 HydrophobicContact CG-CE1 4.3Å; K30-F48 WeakPolarHBondContact O-CE1 3.42Å; P32-F48 CarbonylContact C-O 3.56Å; P32-F48 WeakPolarHBondContact CA-O 3.33Å; P32-F48 HydrophobicContact CB-CD1 4.11Å; P32-F48 HydrophobicContact CB-CE1 4.12Å; P32-F48 WeakPolarHBondContact CB-O 3.4Å; L33-F48 PolarHBondContact N-O 3.07Å; C46-F48 PolarHBondContact O-N 3.44Å; F48-Q52 HydrophobicContact CD2-CB 4.09Å; F48-L53 HydrophobicContact CE1-CB 4.45Å; F48-L53 HydrophobicContact CE2-CB 3.95Å; F48-L53 HydrophobicContact CE2-CD1 4.47Å; F48-L53 HydrophobicContact CZ-CB 3.68Å; F48-L53 HydrophobicContact CZ-CD1 3.71Å; F48-L53 HydrophobicContact CZ-CG 4.25Å; F48-E56 WeakPolarHBondContact CD2-OE1 3.23Å
49T97.4Very high95.7Very high8 Ų859.8 Ų59.85%0.04934%0.338CS..  trans-94167.7-179.667.80000111.7P32 L33 V51 Q52 L53P32-T49 VanDerWaalsContact CB-C 3.46Å; L33-T49 VanDerWaalsContact O-CA 3.31Å; L33-T49 WeakPolarHBondContact O-CA 3.37Å; L33-T49 WeakPolarHBondContact O-CG2 3.36Å; T49-V51 PolarHBondContact O-N 3.19Å; T49-V51 PolarHBondContact OG1-N 2.94Å; T49-Q52 WeakPolarHBondContact O-CA 3.47Å; T49-Q52 WeakPolarHBondContact O-CB 3.37Å; T49-Q52 PolarHBondContact O-N 2.87Å; T49-Q52 PolarHBondContact OG1-N 3.01Å; T49-Q52 PolarHBondContact OG1-OE1 2.81Å; T49-L53 PolarHBondContact O-N 2.78Å
50P97.8Very high95.8Very high8 Ų859.5 Ų59.55%0.05233%0.332CS..Hα-helixtrans-58.7-29.4174.3-26.736.7000113.3P32 F54 Y77 V81 F82P32-P50 HydrophobicContact CB-CG 3.97Å; P32-P50 HydrophobicContact CG-CB 4.45Å; P32-P50 HydrophobicContact CG-CG 4.01Å; P50-F54 PolarHBondContact O-N 2.88Å; P50-Y77 HydrophobicContact CG-CD2 3.98Å; P50-Y77 HydrophobicContact CG-CG 3.84Å; P50-V81 HydrophobicContact CB-CB 4.35Å; P50-V81 HydrophobicContact CB-CG1 3.38Å; P50-V81 HydrophobicContact CB-CG2 4.13Å; P50-V81 HydrophobicContact CG-CG1 3.86Å; P50-F82 HydrophobicContact CB-CE1 4.05Å; P50-F82 HydrophobicContact CB-CZ 3.93Å
51V95.9Very high96Very high38 Ų3857.3 Ų57.323%0.2333%0.327CS..Hα-helixtrans-69.8-40.6174.1176.70000110.8T49 F54 K55 V81 Y85T49-V51 PolarHBondContact O-N 3.19Å; T49-V51 PolarHBondContact OG1-N 2.94Å; V51-F54 PolarHBondContact O-N 3Å; V51-K55 HydrophobicContact CG1-CD 4.26Å; V51-K55 WeakPolarHBondContact O-CG 3.48Å; V51-K55 PolarHBondContact O-N 3.13Å; V51-V81 HydrophobicContact CG2-CG2 4.18Å; V51-Y85 HydrophobicContact CG2-CE2 4.26Å
52Q96.7Very high96.1Very high53 Ų5360.1 Ų60.125%0.24834%0.337CS..Hα-helixtrans-66.2-42.2174.7-73.2169.7-6800111.4H47 F48 T49 F54 K55 E56H47-Q52 VanDerWaalsContact O-CD 3.27Å; H47-Q52 PolarHBondContact O-NE2 3.33Å; H47-Q52 PolarHBondContact O-OE1 2.69Å; H47-Q52 VanDerWaalsContact O-OE1 3.09Å; F48-Q52 HydrophobicContact CD2-CB 4.09Å; T49-Q52 WeakPolarHBondContact O-CA 3.47Å; T49-Q52 WeakPolarHBondContact O-CB 3.37Å; T49-Q52 PolarHBondContact O-N 2.87Å; T49-Q52 PolarHBondContact OG1-N 3.01Å; T49-Q52 PolarHBondContact OG1-OE1 2.81Å; Q52-F54 VanDerWaalsContact C-N 3.31Å; Q52-F54 PolarHBondContact O-N 2.66Å; Q52-K55 CarbonylContact O-C 3.59Å; Q52-K55 PolarHBondContact O-N 2.82Å; Q52-K55 VanDerWaalsContact O-N 3.07Å; Q52-E56 WeakPolarHBondContact O-CB 3.33Å; Q52-E56 WeakPolarHBondContact O-CG 3.43Å; Q52-E56 PolarHBondContact O-N 3.07Å
53L98.1Very high96.3Very high0 Ų060.1 Ų60.10%033%0.327CS..Hα-helixtrans-51.2-49.7172.3171.564.7000111.8L17 P32 F48 T49 I57 V67 F82L17-L53 HydrophobicContact CD1-CD1 3.68Å; P32-L53 HydrophobicContact CG-CD2 4.24Å; F48-L53 HydrophobicContact CE1-CB 4.45Å; F48-L53 HydrophobicContact CE2-CB 3.95Å; F48-L53 HydrophobicContact CE2-CD1 4.47Å; F48-L53 HydrophobicContact CZ-CB 3.68Å; F48-L53 HydrophobicContact CZ-CD1 3.71Å; F48-L53 HydrophobicContact CZ-CG 4.25Å; T49-L53 PolarHBondContact O-N 2.78Å; L53-I57 HydrophobicContact CD1-CD1 3.7Å; L53-I57 HydrophobicContact CD1-CG1 4.29Å; L53-I57 HydrophobicContact CG-CD1 4.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.19Å; L53-I57 PolarHBondContact O-N 3.11Å; L53-I57 VanDerWaalsContact O-N 3.13Å; L53-V67 HydrophobicContact CD2-CG2 4.35Å; L53-F82 HydrophobicContact CD2-CE1 4.06Å; L53-F82 HydrophobicContact CD2-CZ 4.04Å
54F96.8Very high96.6Very high46 Ų4657.8 Ų57.820%0.20231%0.31CS..Hα-helixtrans-62.6-44.2177.5-179.3-93000112.2P50 V51 Q52 K58 L64 Y85 V87P50-F54 PolarHBondContact O-N 2.88Å; V51-F54 PolarHBondContact O-N 3Å; Q52-F54 VanDerWaalsContact C-N 3.31Å; Q52-F54 PolarHBondContact O-N 2.66Å; F54-K58 HydrophobicContact CE1-CD 4.26Å; F54-K58 WeakPolarHBondContact O-CB 3.21Å; F54-K58 PolarHBondContact O-N 2.97Å; F54-L64 HydrophobicContact CD2-CB 4.38Å; F54-L64 HydrophobicContact CD2-CD2 4.41Å; F54-Y85 AromaticContact CD1-CD1 3.7Å; F54-Y85 HydrophobicContact CD1-CD1 3.7Å; F54-Y85 AromaticContact CD1-CE1 3.91Å; F54-Y85 HydrophobicContact CD1-CE1 3.91Å; F54-Y85 HydrophobicContact CD1-CG 4.46Å; F54-Y85 HydrophobicContact CD2-CD1 4.12Å; F54-Y85 HydrophobicContact CD2-CG 4.18Å; F54-Y85 AromaticContact CE1-CD1 3.71Å; F54-Y85 HydrophobicContact CE1-CD1 3.71Å; F54-Y85 HydrophobicContact CE1-CE1 4.12Å; F54-Y85 HydrophobicContact CE2-CD1 4.12Å; F54-Y85 HydrophobicContact CE2-CG 4.37Å; F54-Y85 AromaticContact CG-CD1 3.92Å; F54-Y85 HydrophobicContact CG-CD1 3.92Å; F54-Y85 HydrophobicContact CG-CE1 4.38Å; F54-Y85 HydrophobicContact CG-CG 4.23Å; F54-Y85 AromaticContact CZ-CD1 3.92Å; F54-Y85 HydrophobicContact CZ-CD1 3.92Å; F54-V87 HydrophobicContact CD2-CG2 4.22Å; F54-V87 HydrophobicContact CE2-CG2 4.27Å
55K96.3Very high96.9Very high125 Ų12557 Ų5754%0.54329%0.293SS..Hα-helixtrans-63.1-46.2179.3-74.9175.7178.9-179.80111.8V51 Q52 K58 T59V51-K55 HydrophobicContact CG1-CD 4.26Å; V51-K55 WeakPolarHBondContact O-CG 3.48Å; V51-K55 PolarHBondContact O-N 3.13Å; Q52-K55 CarbonylContact O-C 3.59Å; Q52-K55 PolarHBondContact O-N 2.82Å; Q52-K55 VanDerWaalsContact O-N 3.07Å; K55-K58 PolarHBondContact O-N 3.12Å; K55-T59 WeakPolarHBondContact O-CB 3.38Å; K55-T59 PolarHBondContact O-N 2.8Å; K55-T59 PolarHBondContact O-OG1 3.13Å
56E97.4Very high97.2Very high60 Ų6049.4 Ų49.428%0.2825%0.252SS..Hα-helixtrans-62.4-48.9-179.6-74.3177.3-147.200111.3L17 F48 Q52 K58 T59 S60L17-E56 HydrophobicContact CD2-CB 3.89Å; F48-E56 WeakPolarHBondContact CD2-OE1 3.23Å; Q52-E56 WeakPolarHBondContact O-CB 3.33Å; Q52-E56 WeakPolarHBondContact O-CG 3.43Å; Q52-E56 PolarHBondContact O-N 3.07Å; E56-K58 VanDerWaalsContact C-N 3.28Å; E56-K58 PolarHBondContact O-N 3.46Å; E56-T59 PolarHBondContact O-N 3.46Å; E56-T59 VanDerWaalsContact O-N 3.13Å; E56-S60 PolarHBondContact O-N 3.03Å; E56-S60 PolarHBondContact O-OG 3.25Å
57I98.3Very high97.4Very high0 Ų047.7 Ų47.70%024%0.241CC..Hα-helixtrans-59.4-41.4176.4-69.7177000111.3L17 I27 L53 S60 G61 Y62 L64 V128 C130L17-I57 HydrophobicContact CD1-CD1 4.24Å; L17-I57 HydrophobicContact CD1-CG1 4.08Å; L17-I57 HydrophobicContact CD2-CG1 3.6Å; L17-I57 HydrophobicContact CG-CG1 4.46Å; I27-I57 HydrophobicContact CD1-CD1 4.43Å; I27-I57 HydrophobicContact CD1-CG1 4.16Å; I27-I57 HydrophobicContact CD1-CG2 4.2Å; L53-I57 HydrophobicContact CD1-CD1 3.7Å; L53-I57 HydrophobicContact CD1-CG1 4.29Å; L53-I57 HydrophobicContact CG-CD1 4.31Å; L53-I57 WeakPolarHBondContact O-CG1 3.19Å; L53-I57 PolarHBondContact O-N 3.11Å; L53-I57 VanDerWaalsContact O-N 3.13Å; I57-S60 PolarHBondContact O-N 3.27Å; I57-G61 PolarHBondContact O-N 2.96Å; I57-Y62 PolarHBondContact O-N 3.06Å; I57-Y62 VanDerWaalsContact O-N 3.13Å; I57-L64 HydrophobicContact CD1-CB 4.32Å; I57-L64 HydrophobicContact CD1-CD1 3.9Å; I57-L64 HydrophobicContact CD1-CD2 4.14Å; I57-L64 HydrophobicContact CD1-CG 4.34Å; I57-L64 HydrophobicContact CG2-CB 4.04Å; I57-V128 HydrophobicContact CG2-CG2 3.76Å; I57-C130 HydrophobicContact CD1-CB 3.94Å
58K97.3Very high97.6Very high142 Ų14245.4 Ų45.462%0.61723%0.23SC*.Hα-helixtrans-63.5-43.7176.3-174.9-179.4177.5-175.80111.8F54 K55 E56 S60 G61 Y62F54-K58 HydrophobicContact CE1-CD 4.26Å; F54-K58 WeakPolarHBondContact O-CB 3.21Å; F54-K58 PolarHBondContact O-N 2.97Å; K55-K58 PolarHBondContact O-N 3.12Å; E56-K58 VanDerWaalsContact C-N 3.28Å; E56-K58 PolarHBondContact O-N 3.46Å; K58-S60 VanDerWaalsContact C-N 3.29Å; K58-S60 PolarHBondContact O-N 2.95Å; K58-G61 WeakPolarHBondContact O-CA 3.35Å; K58-G61 PolarHBondContact O-N 3.21Å; K58-Y62 WeakPolarHBondContact CA-O 3.39Å
59T97.4Very high97.6Very high125 Ų12545.4 Ų45.477%0.76723%0.23SC*.Hα-helixtrans-63.6-34.7177.1-63.40000111.7K55 E56 G61K55-T59 WeakPolarHBondContact O-CB 3.38Å; K55-T59 PolarHBondContact O-N 2.8Å; K55-T59 PolarHBondContact O-OG1 3.13Å; E56-T59 PolarHBondContact O-N 3.46Å; E56-T59 VanDerWaalsContact O-N 3.13Å; T59-G61 PolarHBondContact O-N 2.9Å; T59-G61 VanDerWaalsContact O-N 3.13Å
60S96.5Very high97.6Very high72 Ų7245.1 Ų45.150%0.50323%0.228SC..THydrogen-bonded Turntrans-70.51.6171.1-55.60000114E56 I57 K58 Y62E56-S60 PolarHBondContact O-N 3.03Å; E56-S60 PolarHBondContact O-OG 3.25Å; I57-S60 PolarHBondContact O-N 3.27Å; K58-S60 VanDerWaalsContact C-N 3.29Å; K58-S60 PolarHBondContact O-N 2.95Å; S60-Y62 WeakPolarHBondContact O-CD2 3.43Å
61G97Very high97.6Very high31 Ų3144.9 Ų44.932%0.3223%0.226SC..THydrogen-bonded Turntrans84.314.5174.800000114.8I57 K58 T59 R126I57-G61 PolarHBondContact O-N 2.96Å; K58-G61 WeakPolarHBondContact O-CA 3.35Å; K58-G61 PolarHBondContact O-N 3.21Å; T59-G61 PolarHBondContact O-N 2.9Å; T59-G61 VanDerWaalsContact O-N 3.13Å; G61-R126 WeakPolarHBondContact O-CD 3.22Å
62Y98.2Very high97.7Very high75 Ų7545.9 Ų45.929%0.29424%0.239SC..  trans-108.3160.9178.9-65.4-80000112.2C20 I27 I57 K58 S60 R126 V128C20-Y62 HydrophobicContact CB-CD2 4.5Å; C20-Y62 HydrophobicContact CB-CE1 3.93Å; C20-Y62 HydrophobicContact CB-CE2 3.79Å; C20-Y62 VanDerWaalsContact CB-CZ 3.47Å; C20-Y62 WeakPolarHBondContact CB-OH 3.32Å; I27-Y62 HydrophobicContact CD1-CD2 4.19Å; I27-Y62 HydrophobicContact CD1-CG 4.41Å; I57-Y62 PolarHBondContact O-N 3.06Å; I57-Y62 VanDerWaalsContact O-N 3.13Å; K58-Y62 WeakPolarHBondContact CA-O 3.39Å; S60-Y62 WeakPolarHBondContact O-CD2 3.43Å; Y62-R126 CarbonylContact C-O 3.57Å; Y62-R126 WeakPolarHBondContact CA-O 3.35Å; Y62-R126 HydrophobicContact CD1-CB 3.86Å; Y62-R126 HydrophobicContact CE1-CB 4.43Å; Y62-V128 HydrophobicContact CD1-CG1 3.4Å; Y62-V128 VanDerWaalsContact CD1-CG1 3.4Å; Y62-V128 HydrophobicContact CE1-CG1 4.11Å; Y62-V128 HydrophobicContact CG-CG1 3.81Å
63K97.7Very high97.6Very high108 Ų10845.1 Ų45.147%0.4724%0.238SC..EExtended strand (participates in β ladder)trans-110.2105.3174.5-62.9178.7-170164.90108.9R65 D125 R126 S127 V128K63-R65 PolarHBondContact O-N 3.17Å; K63-D125 WeakPolarHBondContact CD-O 3.16Å; K63-D125 WeakPolarHBondContact CE-O 3.49Å; K63-R126 PolarHBondContact N-O 2.85Å; K63-S127 WeakPolarHBondContact O-CA 3.45Å; K63-V128 PolarHBondContact O-N 3.3Å
64L98.2Very high97.4Very high9 Ų951.1 Ų51.15%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-62.4123.5172.4-17859.6000109.4F54 I57 K66 V67 V87 C130F54-L64 HydrophobicContact CD2-CB 4.38Å; F54-L64 HydrophobicContact CD2-CD2 4.41Å; I57-L64 HydrophobicContact CD1-CB 4.32Å; I57-L64 HydrophobicContact CD1-CD1 3.9Å; I57-L64 HydrophobicContact CD1-CD2 4.14Å; I57-L64 HydrophobicContact CD1-CG 4.34Å; I57-L64 HydrophobicContact CG2-CB 4.04Å; L64-K66 VanDerWaalsContact CD1-O 3.27Å; L64-K66 WeakPolarHBondContact CD1-O 3.32Å; L64-V67 HydrophobicContact CD1-CG2 4.09Å; L64-V67 HydrophobicContact CD2-CG2 3.82Å; L64-V67 HydrophobicContact CG-CG2 4.3Å; L64-V87 HydrophobicContact CB-CG2 4.39Å; L64-V87 HydrophobicContact CD2-CG1 4.03Å; L64-V87 HydrophobicContact CD2-CG2 4.22Å; L64-V87 HydrophobicContact CG-CG1 3.86Å; L64-V87 HydrophobicContact CG-CG2 4.06Å; L64-V87 WeakPolarHBondContact O-CG2 3.45Å; L64-C130 HydrophobicContact CD1-CB 3.59Å
65R98.1Very high97.3Very high51 Ų5152 Ų5219%0.19227%0.272CS..EExtended strand (participates in β ladder)trans-115.7-29.4174.5-49.5-61.1-165.3160.88.1113.6K63 E88 F115 W119 D125 S127 V128K63-R65 PolarHBondContact O-N 3.17Å; R65-E88 PolarHBondContact O-N 3.07Å; R65-F115 HydrophobicContact CB-CD2 4.37Å; R65-F115 HydrophobicContact CB-CE2 3.86Å; R65-F115 HydrophobicContact CG-CE2 4.19Å; R65-W119 HydrophobicContact CB-CD2 4.48Å; R65-W119 HydrophobicContact CB-CZ2 4.1Å; R65-W119 HydrophobicContact CG-CD2 3.92Å; R65-W119 HydrophobicContact CG-CE3 4.41Å; R65-W119 HydrophobicContact CG-CG 4.36Å; R65-W119 HydrophobicContact CG-CH2 4.41Å; R65-W119 HydrophobicContact CG-CZ2 3.87Å; R65-D125 IonicContact NH2-OD2 3.09Å; R65-D125 PolarHBondContact NH2-OD2 3.03Å; R65-S127 WeakPolarHBondContact CG-OG 3.39Å; R65-S127 PolarHBondContact NE-OG 2.93Å; R65-V128 PolarHBondContact N-O 3.21Å
66K98.4Very high97.3Very high0 Ų047 Ų470%025%0.25CC..EExtended strand (participates in β ladder)trans-139.7138.7-179.7-172.2173.5-64.5-138.60110.8L64 I68 E88 I90 E111 S114 F115 I129 C130L64-K66 VanDerWaalsContact CD1-O 3.27Å; L64-K66 WeakPolarHBondContact CD1-O 3.32Å; K66-I68 HydrophobicContact CD-CD1 4.32Å; K66-I68 HydrophobicContact CD-CG1 4.09Å; K66-I68 HydrophobicContact CG-CG1 4.14Å; K66-E88 CarbonylContact C-O 3.48Å; K66-E88 VanDerWaalsContact CA-O 3.22Å; K66-E88 WeakPolarHBondContact CA-O 3.28Å; K66-E88 HydrophobicContact CB-CB 4.41Å; K66-E88 WeakPolarHBondContact CE-OE2 3.3Å; K66-E88 HydrophobicContact CG-CB 4.25Å; K66-E88 HydrophobicContact CG-CG 4.46Å; K66-E88 IonicContact NZ-OE1 2.69Å; K66-E88 PolarHBondContact NZ-OE1 2.82Å; K66-E88 IonicContact NZ-OE2 2.94Å; K66-E88 PolarHBondContact NZ-OE2 2.84Å; K66-E88 VanDerWaalsContact NZ-OE2 3.13Å; K66-I90 HydrophobicContact CD-CG1 4.43Å; K66-E111 HydrophobicContact CD-CB 4.44Å; K66-E111 PolarHBondContact NZ-O 2.91Å; K66-E111 IonicContact NZ-OE2 2.62Å; K66-E111 PolarHBondContact NZ-OE2 3.39Å; K66-S114 PolarHBondContact NZ-OG 2.97Å; K66-S114 VanDerWaalsContact NZ-OG 3.12Å; K66-F115 HydrophobicContact CB-CD2 4.19Å; K66-I129 HydrophobicContact CB-CG1 4.27Å; K66-I129 HydrophobicContact CB-CG2 4.39Å; K66-I129 CarbonylContact O-C 3.51Å; K66-I129 WeakPolarHBondContact O-CA 3.45Å; K66-C130 PolarHBondContact O-N 3.05Å
67V98.7Very high97.3Very high0 Ų045 Ų450%024%0.24CC..EExtended strand (participates in β ladder)trans-111.7126.8166.2175.70000107.8L53 L64 F82 V87 E88 Y89 I90 C130L53-V67 HydrophobicContact CD2-CG2 4.35Å; L64-V67 HydrophobicContact CD1-CG2 4.09Å; L64-V67 HydrophobicContact CD2-CG2 3.82Å; L64-V67 HydrophobicContact CG-CG2 4.3Å; V67-F82 HydrophobicContact CB-CE2 4.3Å; V67-F82 HydrophobicContact CB-CZ 4.32Å; V67-F82 HydrophobicContact CG1-CE2 4.12Å; V67-F82 HydrophobicContact CG1-CZ 4.13Å; V67-F82 HydrophobicContact CG2-CD1 4.05Å; V67-F82 HydrophobicContact CG2-CE1 3.73Å; V67-F82 HydrophobicContact CG2-CE2 4.28Å; V67-F82 HydrophobicContact CG2-CG 4.5Å; V67-F82 HydrophobicContact CG2-CZ 3.85Å; V67-V87 HydrophobicContact CG2-CG1 3.91Å; V67-E88 PolarHBondContact N-O 2.8Å; V67-Y89 HydrophobicContact CB-CD2 4.2Å; V67-Y89 HydrophobicContact CG1-CD2 4.07Å; V67-Y89 HydrophobicContact CG1-CE2 4.37Å; V67-I90 PolarHBondContact O-N 2.85Å; V67-C130 CarbonylContact C-O 3.56Å; V67-C130 VanDerWaalsContact CA-O 3.31Å; V67-C130 WeakPolarHBondContact CA-O 3.41Å; V67-C130 HydrophobicContact CG2-CB 4.29Å
68I98.7Very high97.2Very high0 Ų049.5 Ų49.50%026%0.264CS..EExtended strand (participates in β ladder)trans-111109.2170.8-54.2177.5000107.7K66 I70 I90 V92 F108 E111 V112 I129 C130 V131 C132K66-I68 HydrophobicContact CD-CD1 4.32Å; K66-I68 HydrophobicContact CD-CG1 4.09Å; K66-I68 HydrophobicContact CG-CG1 4.14Å; I68-I70 HydrophobicContact CG2-CD1 3.74Å; I68-I90 WeakPolarHBondContact CA-O 3.14Å; I68-V92 HydrophobicContact CG2-CG2 3.85Å; I68-F108 HydrophobicContact CB-CE2 4.48Å; I68-F108 HydrophobicContact CD1-CD2 4.07Å; I68-F108 HydrophobicContact CD1-CE2 3.9Å; I68-F108 HydrophobicContact CG2-CD2 3.89Å; I68-F108 HydrophobicContact CG2-CE2 4.18Å; I68-E111 HydrophobicContact CD1-CB 4.01Å; I68-V112 HydrophobicContact CD1-CG2 4.23Å; I68-I129 HydrophobicContact CD1-CG2 3.83Å; I68-I129 HydrophobicContact CG1-CG2 3.88Å; I68-C130 PolarHBondContact N-O 3.27Å; I68-V131 WeakPolarHBondContact O-CA 3.37Å; I68-C132 PolarHBondContact O-N 2.79Å
69D98.7Very high97.1Very high3 Ų345.1 Ų45.12%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-95.1113.1-178.9-179.31.3000110.8T71 Y77 Y89 I90 H91 V92D69-T71 VanDerWaalsContact OD1-CB 3.24Å; D69-T71 WeakPolarHBondContact OD1-CB 3.16Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.45Å; D69-T71 PolarHBondContact OD1-N 2.92Å; D69-T71 PolarHBondContact OD1-OG1 3.41Å; D69-T71 PolarHBondContact OD2-OG1 2.68Å; D69-Y77 WeakPolarHBondContact CB-OH 3.43Å; D69-Y77 VanDerWaalsContact CG-OH 3.24Å; D69-Y77 PolarHBondContact OD2-OH 3.03Å; D69-Y89 HydrophobicContact CB-CE2 3.59Å; D69-Y89 WeakPolarHBondContact CB-OH 3.2Å; D69-Y89 PolarHBondContact OD2-OH 2.9Å; D69-I90 PolarHBondContact N-O 3.15Å; D69-H91 PolarHBondContact O-CD2 2.94Å; D69-H91 VanDerWaalsContact O-CD2 3.24Å; D69-H91 IonicContact OD2-CD2 3.38Å; D69-V92 PolarHBondContact O-N 3.37Å
70I98.4Very high97Very high1 Ų146.6 Ų46.61%0.00525%0.245CC..  trans-90.4-6.6-176.9-51.4-58.7000111.6I68 V92 T94 F108 V131 C132 R139 F143I68-I70 HydrophobicContact CG2-CD1 3.74Å; I70-V92 WeakPolarHBondContact CA-O 3.28Å; I70-V92 HydrophobicContact CD1-CB 3.99Å; I70-T94 HydrophobicContact CG2-CG2 4.49Å; I70-T94 PolarHBondContact O-N 2.96Å; I70-F108 HydrophobicContact CD1-CD2 4.09Å; I70-F108 HydrophobicContact CD1-CE2 4.49Å; I70-V131 HydrophobicContact CD1-CG1 4.26Å; I70-V131 HydrophobicContact CG1-CG1 3.73Å; I70-C132 WeakPolarHBondContact CB-O 3.14Å; I70-C132 WeakPolarHBondContact CG1-O 3.33Å; I70-C132 PolarHBondContact N-O 2.92Å; I70-R139 HydrophobicContact CG2-CB 3.72Å; I70-F143 HydrophobicContact CD1-CD2 4.12Å; I70-F143 HydrophobicContact CD1-CE2 4.31Å; I70-F143 HydrophobicContact CD1-CG 4.31Å; I70-F143 HydrophobicContact CG1-CD2 4.39Å; I70-F143 HydrophobicContact CG2-CD2 3.87Å; I70-F143 HydrophobicContact CG2-CE2 3.61Å
71T97.8Very high97Very high3 Ų345 Ų452%0.01823%0.233CC..  trans-63.3139-175.364.90000111.9T31 D69 T73 Y76 H91 P93T31-T71 HydrophobicContact CG2-CG2 4.32Å; D69-T71 VanDerWaalsContact OD1-CB 3.24Å; D69-T71 WeakPolarHBondContact OD1-CB 3.16Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.45Å; D69-T71 PolarHBondContact OD1-N 2.92Å; D69-T71 PolarHBondContact OD1-OG1 3.41Å; D69-T71 PolarHBondContact OD2-OG1 2.68Å; T71-T73 PolarHBondContact O-N 3.17Å; T71-T73 PolarHBondContact OG1-O 2.97Å; T71-Y76 HydrophobicContact CG2-CD2 3.87Å; T71-Y76 HydrophobicContact CG2-CE2 3.77Å; T71-H91 PolarHBondContact O-NE2 3.32Å; T71-P93 WeakPolarHBondContact O-CA 3.18Å
72A96.1Very high97Very high59 Ų5943.6 Ų43.649%0.48822%0.218SC..SBendtrans-80.634.1178.200000113.1
73T94.8Very high96.8Very high37 Ų3748.5 Ų48.523%0.22724%0.24CC..  trans-157.3154.6-178.2-171.30000111.2T71 R75 Y76T71-T73 PolarHBondContact O-N 3.17Å; T71-T73 PolarHBondContact OG1-O 2.97Å; T73-R75 HydrophobicContact CG2-CG 3.91Å; T73-R75 WeakPolarHBondContact OG1-CD 3.5Å; T73-R75 VanDerWaalsContact OG1-CG 3.26Å; T73-R75 WeakPolarHBondContact OG1-CG 3.49Å; T73-R75 PolarHBondContact OG1-N 3.24Å; T73-Y76 HydrophobicContact CG2-CD1 4.32Å; T73-Y76 HydrophobicContact CG2-CD2 3.56Å; T73-Y76 HydrophobicContact CG2-CE1 4.06Å; T73-Y76 HydrophobicContact CG2-CE2 3.28Å; T73-Y76 HydrophobicContact CG2-CG 4.09Å
74N94.7Very high96.6Very high126 Ų12647.6 Ų47.667%0.67425%0.253SS*.SBendtrans-1047.4174.3-64.2-34.4000112.4H91N74-H91 PolarHBondContact OD1-CE1 3.48Å; N74-H91 PolarHBondContact OD1-ND1 2.76Å
75R95.1Very high96.4Very high65 Ų6551.4 Ų51.425%0.24527%0.268CS..  trans-84.4-13.5-169.277.4-170.4-177.379.4-9.1114.3V6 T73V6-R75 VanDerWaalsContact O-CZ 3.32Å; V6-R75 PolarHBondContact O-NH1 3.01Å; V6-R75 PolarHBondContact O-NH2 3.32Å; V6-R75 VanDerWaalsContact O-NH2 3.08Å; T73-R75 HydrophobicContact CG2-CG 3.91Å; T73-R75 WeakPolarHBondContact OG1-CD 3.5Å; T73-R75 VanDerWaalsContact OG1-CG 3.26Å; T73-R75 WeakPolarHBondContact OG1-CG 3.49Å; T73-R75 PolarHBondContact OG1-N 3.24Å
76Y96.7Very high96.3Very high20 Ų2055.4 Ų55.48%0.07829%0.293CS..SBendtrans-76-39.7-168.3-66.1-37.4000113.2P8 T31 L33 G34 L37 T71 T73P8-Y76 HydrophobicContact CB-CE1 4.2Å; P8-Y76 HydrophobicContact CG-CD1 4.3Å; P8-Y76 HydrophobicContact CG-CE1 3.59Å; T31-Y76 HydrophobicContact CG2-CD2 3.54Å; T31-Y76 HydrophobicContact CG2-CE2 3.8Å; T31-Y76 HydrophobicContact CG2-CG 4.04Å; L33-Y76 HydrophobicContact CD2-CD1 3.89Å; L33-Y76 HydrophobicContact CD2-CG 4.16Å; G34-Y76 PolarHBondContact N-O 3.48Å; L37-Y76 HydrophobicContact CD1-CD1 3.8Å; T71-Y76 HydrophobicContact CG2-CD2 3.87Å; T71-Y76 HydrophobicContact CG2-CE2 3.77Å; T73-Y76 HydrophobicContact CG2-CD1 4.32Å; T73-Y76 HydrophobicContact CG2-CD2 3.56Å; T73-Y76 HydrophobicContact CG2-CE1 4.06Å; T73-Y76 HydrophobicContact CG2-CE2 3.28Å; T73-Y76 HydrophobicContact CG2-CG 4.09Å
77Y96.5Very high96.3Very high19 Ų1955.8 Ų55.88%0.07530%0.295CS..  trans-160.5166178.955.3-88.1000110.7T31 P32 P50 D69 P79 F82 Y89T31-Y77 WeakPolarHBondContact OG1-CE1 3.05Å; P32-Y77 HydrophobicContact CG-CD1 3.92Å; P32-Y77 HydrophobicContact CG-CE1 3.76Å; P32-Y77 HydrophobicContact CG-CG 4.48Å; P32-Y77 WeakPolarHBondContact O-CD1 3.22Å; P50-Y77 HydrophobicContact CG-CD2 3.98Å; P50-Y77 HydrophobicContact CG-CG 3.84Å; D69-Y77 WeakPolarHBondContact CB-OH 3.43Å; D69-Y77 VanDerWaalsContact CG-OH 3.24Å; D69-Y77 PolarHBondContact OD2-OH 3.03Å; Y77-P79 WeakPolarHBondContact O-CD 3.45Å; Y77-F82 HydrophobicContact CD2-CE2 4.22Å; Y77-F82 HydrophobicContact CE2-CD2 4.4Å; Y77-F82 AromaticContact CE2-CE2 3.51Å; Y77-F82 HydrophobicContact CE2-CE2 3.51Å; Y77-F82 HydrophobicContact CE2-CZ 4.26Å; Y77-Y89 AromaticContact CE2-CE2 3.86Å; Y77-Y89 HydrophobicContact CE2-CE2 3.86Å; Y77-Y89 VanDerWaalsContact OH-CE2 3.31Å; Y77-Y89 WeakPolarHBondContact OH-CE2 3.27Å
78D95.8Very high96.2Very high93 Ų9358.2 Ų58.250%0.49731%0.306SS..  trans-83.9116.4171.6-176.7-8.6000109.8K80 V81D78-K80 PolarHBondContact O-N 3.33Å; D78-K80 VanDerWaalsContact O-N 3.16Å; D78-K80 VanDerWaalsContact OD1-CB 3.26Å; D78-K80 WeakPolarHBondContact OD1-CB 3.39Å; D78-K80 VanDerWaalsContact OD1-CG 3.26Å; D78-K80 WeakPolarHBondContact OD1-CG 3.49Å; D78-K80 PolarHBondContact OD1-N 3.37Å; D78-V81 WeakPolarHBondContact O-CG1 3.47Å; D78-V81 PolarHBondContact O-N 3.38Å
79P95.8Very high96.2Very high50 Ų5060.6 Ų60.633%0.32532%0.316SS..THydrogen-bonded Turntrans-64.7-17.218027-35.7000114Y77 V81 F82 Y89Y77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-V81 PolarHBondContact O-N 3.32Å; P79-V81 VanDerWaalsContact O-N 3.09Å; P79-F82 PolarHBondContact O-N 2.94Å; P79-F82 VanDerWaalsContact O-N 3.08Å; P79-Y89 HydrophobicContact CB-CD1 3.35Å; P79-Y89 HydrophobicContact CB-CD2 4.1Å; P79-Y89 HydrophobicContact CB-CE1 3.31Å; P79-Y89 HydrophobicContact CB-CE2 4.07Å; P79-Y89 HydrophobicContact CB-CG 3.74Å; P79-Y89 HydrophobicContact CG-CD1 4.3Å; P79-Y89 HydrophobicContact CG-CE1 3.99Å
80K96Very high96.2Very high156 Ų15661.8 Ų61.868%0.67832%0.322SS*.Hα-helixtrans-59.2-22.6176.7-67.9174.2-175.9173.30112.9D78 F82 K83D78-K80 PolarHBondContact O-N 3.33Å; D78-K80 VanDerWaalsContact O-N 3.16Å; D78-K80 VanDerWaalsContact OD1-CB 3.26Å; D78-K80 WeakPolarHBondContact OD1-CB 3.39Å; D78-K80 VanDerWaalsContact OD1-CG 3.26Å; D78-K80 WeakPolarHBondContact OD1-CG 3.49Å; D78-K80 PolarHBondContact OD1-N 3.37Å; K80-F82 PolarHBondContact O-N 2.89Å; K80-K83 WeakPolarHBondContact O-CB 3.37Å; K80-K83 PolarHBondContact O-N 2.92Å; K80-K83 VanDerWaalsContact O-N 3.12Å
81V96Very high96.2Very high39 Ų3963.5 Ų63.524%0.23633%0.33CS..Hα-helixtrans-53.7-38.8174.269.60000111.8P50 V51 D78 P79 K83 A84 Y85P50-V81 HydrophobicContact CB-CB 4.35Å; P50-V81 HydrophobicContact CB-CG1 3.38Å; P50-V81 HydrophobicContact CB-CG2 4.13Å; P50-V81 HydrophobicContact CG-CG1 3.86Å; V51-V81 HydrophobicContact CG2-CG2 4.18Å; D78-V81 WeakPolarHBondContact O-CG1 3.47Å; D78-V81 PolarHBondContact O-N 3.38Å; P79-V81 PolarHBondContact O-N 3.32Å; P79-V81 VanDerWaalsContact O-N 3.09Å; V81-K83 VanDerWaalsContact C-N 3.31Å; V81-K83 PolarHBondContact O-N 2.85Å; V81-A84 PolarHBondContact O-N 3.43Å; V81-Y85 HydrophobicContact CG2-CE2 4.23Å; V81-Y85 VanDerWaalsContact O-CD2 3.28Å; V81-Y85 WeakPolarHBondContact O-CD2 3.46Å
82F96.8Very high96.2Very high2 Ų263.3 Ų63.31%0.00933%0.329CS..Hα-helixtrans-69.4-29.3-178.1-66.3-58.8000113P50 L53 V67 Y77 P79 K80 A84 Y85 N86 V87 Y89P50-F82 HydrophobicContact CB-CE1 4.05Å; P50-F82 HydrophobicContact CB-CZ 3.93Å; L53-F82 HydrophobicContact CD2-CE1 4.06Å; L53-F82 HydrophobicContact CD2-CZ 4.04Å; V67-F82 HydrophobicContact CB-CE2 4.3Å; V67-F82 HydrophobicContact CB-CZ 4.32Å; V67-F82 HydrophobicContact CG1-CE2 4.12Å; V67-F82 HydrophobicContact CG1-CZ 4.13Å; V67-F82 HydrophobicContact CG2-CD1 4.05Å; V67-F82 HydrophobicContact CG2-CE1 3.73Å; V67-F82 HydrophobicContact CG2-CE2 4.28Å; V67-F82 HydrophobicContact CG2-CG 4.5Å; V67-F82 HydrophobicContact CG2-CZ 3.85Å; Y77-F82 HydrophobicContact CD2-CE2 4.22Å; Y77-F82 HydrophobicContact CE2-CD2 4.4Å; Y77-F82 AromaticContact CE2-CE2 3.51Å; Y77-F82 HydrophobicContact CE2-CE2 3.51Å; Y77-F82 HydrophobicContact CE2-CZ 4.26Å; P79-F82 PolarHBondContact O-N 2.94Å; P79-F82 VanDerWaalsContact O-N 3.08Å; K80-F82 PolarHBondContact O-N 2.89Å; F82-A84 VanDerWaalsContact C-N 3.28Å; F82-A84 PolarHBondContact O-N 2.71Å; F82-Y85 CarbonylContact O-C 3.48Å; F82-Y85 PolarHBondContact O-N 2.89Å; F82-N86 PolarHBondContact O-N 2.9Å; F82-V87 CarbonylContact C-O 3.47Å; F82-V87 HydrophobicContact CB-CB 4.07Å; F82-V87 HydrophobicContact CB-CG1 4.26Å; F82-V87 HydrophobicContact CD1-CB 4.38Å; F82-V87 HydrophobicContact CD1-CG1 4.16Å; F82-V87 HydrophobicContact CG-CG1 4.44Å; F82-V87 PolarHBondContact O-N 3Å; F82-Y89 AromaticContact CD2-CD2 3.47Å; F82-Y89 HydrophobicContact CD2-CD2 3.47Å; F82-Y89 VanDerWaalsContact CD2-CD2 3.47Å; F82-Y89 HydrophobicContact CD2-CE2 4.32Å; F82-Y89 AromaticContact CD2-CG 3.96Å; F82-Y89 HydrophobicContact CD2-CG 3.96Å; F82-Y89 AromaticContact CE2-CD2 3.6Å; F82-Y89 HydrophobicContact CE2-CD2 3.6Å; F82-Y89 HydrophobicContact CE2-CE2 4.09Å
83K94.7Very high96.2Very high177 Ų17763.2 Ų63.277%0.7732%0.323SS*.Hα-helixtrans-61.4-38175.8-172176.9179.6179.10111.6K80 V81 Y85 N86K80-K83 WeakPolarHBondContact O-CB 3.37Å; K80-K83 PolarHBondContact O-N 2.92Å; K80-K83 VanDerWaalsContact O-N 3.12Å; V81-K83 VanDerWaalsContact C-N 3.31Å; V81-K83 PolarHBondContact O-N 2.85Å; K83-Y85 PolarHBondContact O-N 2.97Å; K83-N86 PolarHBondContact O-N 2.99Å; K83-N86 VanDerWaalsContact O-N 3.1Å
84A93.4Very high96.4Very high89 Ų8961.7 Ų61.774%0.73631%0.314SS*.Hα-helixtrans-65.1-23.5177.400000113.1V81 F82V81-A84 PolarHBondContact O-N 3.43Å; F82-A84 VanDerWaalsContact C-N 3.28Å; F82-A84 PolarHBondContact O-N 2.71Å
85Y94.3Very high96.3Very high89 Ų8959.4 Ų59.435%0.34931%0.306SS..THydrogen-bonded Turntrans-98.28.4176.4-66.2-82.8000113.2V51 F54 V81 F82 K83 V87V51-Y85 HydrophobicContact CG2-CE2 4.26Å; F54-Y85 AromaticContact CD1-CD1 3.7Å; F54-Y85 HydrophobicContact CD1-CD1 3.7Å; F54-Y85 AromaticContact CD1-CE1 3.91Å; F54-Y85 HydrophobicContact CD1-CE1 3.91Å; F54-Y85 HydrophobicContact CD1-CG 4.46Å; F54-Y85 HydrophobicContact CD2-CD1 4.12Å; F54-Y85 HydrophobicContact CD2-CG 4.18Å; F54-Y85 AromaticContact CE1-CD1 3.71Å; F54-Y85 HydrophobicContact CE1-CD1 3.71Å; F54-Y85 HydrophobicContact CE1-CE1 4.12Å; F54-Y85 HydrophobicContact CE2-CD1 4.12Å; F54-Y85 HydrophobicContact CE2-CG 4.37Å; F54-Y85 AromaticContact CG-CD1 3.92Å; F54-Y85 HydrophobicContact CG-CD1 3.92Å; F54-Y85 HydrophobicContact CG-CE1 4.38Å; F54-Y85 HydrophobicContact CG-CG 4.23Å; F54-Y85 AromaticContact CZ-CD1 3.92Å; F54-Y85 HydrophobicContact CZ-CD1 3.92Å; V81-Y85 HydrophobicContact CG2-CE2 4.23Å; V81-Y85 VanDerWaalsContact O-CD2 3.28Å; V81-Y85 WeakPolarHBondContact O-CD2 3.46Å; F82-Y85 CarbonylContact O-C 3.48Å; F82-Y85 PolarHBondContact O-N 2.89Å; K83-Y85 PolarHBondContact O-N 2.97Å; Y85-V87 PolarHBondContact O-N 2.87Å
86N95.3Very high96.1Very high136 Ų13659.1 Ų59.173%0.72732%0.323SS*.THydrogen-bonded Turntrans53.338.4-174.2-167.141.8000112.6F82 K83F82-N86 PolarHBondContact O-N 2.9Å; K83-N86 PolarHBondContact O-N 2.99Å; K83-N86 VanDerWaalsContact O-N 3.1Å
87V97.5Very high95.8Very high7 Ų761.7 Ų61.74%0.04236%0.355CS..  trans-104.6128.4175.4174.40000108F54 L64 V67 F82 Y85F54-V87 HydrophobicContact CD2-CG2 4.22Å; F54-V87 HydrophobicContact CE2-CG2 4.27Å; L64-V87 HydrophobicContact CB-CG2 4.39Å; L64-V87 HydrophobicContact CD2-CG1 4.03Å; L64-V87 HydrophobicContact CD2-CG2 4.22Å; L64-V87 HydrophobicContact CG-CG1 3.86Å; L64-V87 HydrophobicContact CG-CG2 4.06Å; L64-V87 WeakPolarHBondContact O-CG2 3.45Å; V67-V87 HydrophobicContact CG2-CG1 3.91Å; F82-V87 CarbonylContact C-O 3.47Å; F82-V87 HydrophobicContact CB-CB 4.07Å; F82-V87 HydrophobicContact CB-CG1 4.26Å; F82-V87 HydrophobicContact CD1-CB 4.38Å; F82-V87 HydrophobicContact CD1-CG1 4.16Å; F82-V87 HydrophobicContact CG-CG1 4.44Å; F82-V87 PolarHBondContact O-N 3Å; Y85-V87 PolarHBondContact O-N 2.87Å
88E97.8Very high95.7Very high51 Ų5164.3 Ų64.324%0.23838%0.377CS..EExtended strand (participates in β ladder)trans-71.2133173.5-172.5175.7172.800109.8R65 K66 V67 I90 R118R65-E88 PolarHBondContact O-N 3.07Å; K66-E88 CarbonylContact C-O 3.48Å; K66-E88 VanDerWaalsContact CA-O 3.22Å; K66-E88 WeakPolarHBondContact CA-O 3.28Å; K66-E88 HydrophobicContact CB-CB 4.41Å; K66-E88 WeakPolarHBondContact CE-OE2 3.3Å; K66-E88 HydrophobicContact CG-CB 4.25Å; K66-E88 HydrophobicContact CG-CG 4.46Å; K66-E88 IonicContact NZ-OE1 2.69Å; K66-E88 PolarHBondContact NZ-OE1 2.82Å; K66-E88 IonicContact NZ-OE2 2.94Å; K66-E88 PolarHBondContact NZ-OE2 2.84Å; K66-E88 VanDerWaalsContact NZ-OE2 3.13Å; V67-E88 PolarHBondContact N-O 2.8Å; E88-I90 HydrophobicContact CG-CD1 4.39Å; E88-I90 HydrophobicContact CG-CG1 4.44Å; E88-R118 IonicContact OE2-CZ 2.62Å; E88-R118 IonicContact OE2-NH1 3.37Å; E88-R118 PolarHBondContact OE2-NH1 3.36Å
89Y98.4Very high95.8Very high50 Ų5062.4 Ų62.420%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-117.8128.8177.5171.2-92.3000109.7V67 D69 Y77 P79 F82 H91V67-Y89 HydrophobicContact CB-CD2 4.2Å; V67-Y89 HydrophobicContact CG1-CD2 4.07Å; V67-Y89 HydrophobicContact CG1-CE2 4.37Å; D69-Y89 HydrophobicContact CB-CE2 3.59Å; D69-Y89 WeakPolarHBondContact CB-OH 3.2Å; D69-Y89 PolarHBondContact OD2-OH 2.9Å; Y77-Y89 AromaticContact CE2-CE2 3.86Å; Y77-Y89 HydrophobicContact CE2-CE2 3.86Å; Y77-Y89 VanDerWaalsContact OH-CE2 3.31Å; Y77-Y89 WeakPolarHBondContact OH-CE2 3.27Å; P79-Y89 HydrophobicContact CB-CD1 3.35Å; P79-Y89 HydrophobicContact CB-CD2 4.1Å; P79-Y89 HydrophobicContact CB-CE1 3.31Å; P79-Y89 HydrophobicContact CB-CE2 4.07Å; P79-Y89 HydrophobicContact CB-CG 3.74Å; P79-Y89 HydrophobicContact CG-CD1 4.3Å; P79-Y89 HydrophobicContact CG-CE1 3.99Å; F82-Y89 AromaticContact CD2-CD2 3.47Å; F82-Y89 HydrophobicContact CD2-CD2 3.47Å; F82-Y89 VanDerWaalsContact CD2-CD2 3.47Å; F82-Y89 HydrophobicContact CD2-CE2 4.32Å; F82-Y89 AromaticContact CD2-CG 3.96Å; F82-Y89 HydrophobicContact CD2-CG 3.96Å; F82-Y89 AromaticContact CE2-CD2 3.6Å; F82-Y89 HydrophobicContact CE2-CD2 3.6Å; F82-Y89 HydrophobicContact CE2-CE2 4.09Å; Y89-H91 HydrophobicContact CE1-CB 3.96Å
90I98Very high95.8Very high29 Ų2960.4 Ų60.415%0.14936%0.355CS..EExtended strand (participates in β ladder)trans-128.1135.4174.5-53.6-68.6000109.6K66 V67 I68 D69 E88 V92 E111K66-I90 HydrophobicContact CD-CG1 4.43Å; V67-I90 PolarHBondContact O-N 2.85Å; I68-I90 WeakPolarHBondContact CA-O 3.14Å; D69-I90 PolarHBondContact N-O 3.15Å; E88-I90 HydrophobicContact CG-CD1 4.39Å; E88-I90 HydrophobicContact CG-CG1 4.44Å; I90-V92 HydrophobicContact CG2-CG2 4.19Å; I90-E111 HydrophobicContact CB-CG 4.41Å; I90-E111 HydrophobicContact CG1-CG 4.18Å; I90-E111 HydrophobicContact CG2-CG 3.93Å
91H98.5Very high95.8Very high36 Ų3662 Ų6217%0.16736%0.357CS..EExtended strand (participates in β ladder)trans-104.6126174.2-169.5-135.9000110.9D69 T71 N74 Y89 K107D69-H91 PolarHBondContact O-CD2 2.94Å; D69-H91 VanDerWaalsContact O-CD2 3.24Å; D69-H91 IonicContact OD2-CD2 3.38Å; T71-H91 PolarHBondContact O-NE2 3.32Å; N74-H91 PolarHBondContact OD1-CE1 3.48Å; N74-H91 PolarHBondContact OD1-ND1 2.76Å; Y89-H91 HydrophobicContact CE1-CB 3.96Å; H91-K107 PolarHBondContact O-NZ 3.32Å
92V98.1Very high95.7Very high0 Ų066 Ų660%038%0.377CS..  trans-124.173.4176.2-172.10000107.9I68 D69 I70 I90 T94 L104 K107 F143I68-V92 HydrophobicContact CG2-CG2 3.85Å; D69-V92 PolarHBondContact O-N 3.37Å; I70-V92 WeakPolarHBondContact CA-O 3.28Å; I70-V92 HydrophobicContact CD1-CB 3.99Å; I90-V92 HydrophobicContact CG2-CG2 4.19Å; V92-T94 PolarHBondContact O-N 3.06Å; V92-T94 PolarHBondContact O-OG1 3.26Å; V92-L104 HydrophobicContact CG1-CB 4.01Å; V92-L104 HydrophobicContact CG1-CD2 3.96Å; V92-K107 HydrophobicContact CG2-CD 4.06Å; V92-K107 HydrophobicContact CG2-CG 4.18Å; V92-F143 HydrophobicContact CG1-CE1 4.41Å; V92-F143 HydrophobicContact CG1-CZ 4.37Å
93P97.1Very high95.7Very high56 Ų5671.5 Ų71.536%0.36440%0.403SS..  trans-62.2110.4-170.623-31.9000110.8T71 P95T71-P93 WeakPolarHBondContact O-CA 3.18Å; P93-P95 WeakPolarHBondContact O-CD 3.49Å
94T97.6Very high95.8Very high6 Ų664.8 Ų64.84%0.03738%0.375CS..  trans-115.8103.4-175.6-56.80000110.5I70 V92 P100 L104 F143I70-T94 HydrophobicContact CG2-CG2 4.49Å; I70-T94 PolarHBondContact O-N 2.96Å; V92-T94 PolarHBondContact O-N 3.06Å; V92-T94 PolarHBondContact O-OG1 3.26Å; T94-P100 HydrophobicContact CG2-CB 3.87Å; T94-P100 HydrophobicContact CG2-CG 3.81Å; T94-L104 HydrophobicContact CG2-CD1 4.08Å; T94-F143 HydrophobicContact CG2-CE2 3.94Å; T94-F143 HydrophobicContact CG2-CZ 4.25Å; T94-F143 WeakPolarHBondContact OG1-CE2 3.28Å; T94-F143 WeakPolarHBondContact OG1-CZ 3.44Å
95P93.8Very high95.9Very high77 Ų7761.3 Ų61.350%0.534%0.344SS..  trans-58149.9177.2-24.534.8000113P93 R139P93-P95 WeakPolarHBondContact O-CD 3.49Å; P95-R139 PolarHBondContact O-NH1 3.12Å; P95-R139 VanDerWaalsContact O-NH1 3.07Å; P95-R139 PolarHBondContact O-NH2 2.97Å
96G91.1Very high96Very high59 Ų5963.7 Ų63.761%0.60835%0.352SS*.SBendtrans-72.9175.617100000113.2S98G96-S98 PolarHBondContact O-N 2.98Å
97G90.3Very high96.2Very high74 Ų7461 Ų6176%0.76333%0.334SS*.SBendtrans85.8-9.6168.100000116.9
98S94.3Very high96.2Very high74 Ų7460.6 Ų60.652%0.51733%0.332SS..SBendtrans-151.2160.3175.953.40000112G96 R139G96-S98 PolarHBondContact O-N 2.98Å; S98-R139 PolarHBondContact O-NH1 3.31Å; S98-R139 PolarHBondContact O-NH2 3.07Å
99V96.8Very high96.2Very high53 Ų5358.4 Ų58.432%0.32132%0.322SS..PPolyproline II helixtrans-55.1134.1172.6178.90000109.5Y142 Y175 D179V99-Y142 HydrophobicContact CG1-CE2 4.19Å; V99-Y142 WeakPolarHBondContact CG1-OH 3.47Å; V99-Y175 HydrophobicContact CG2-CD2 3.95Å; V99-Y175 HydrophobicContact CG2-CE2 4.48Å; V99-D179 HydrophobicContact CG1-CB 4.38Å; V99-D179 HydrophobicContact CG2-CB 4.13Å
100P97.2Very high96.1Very high8 Ų860.4 Ų60.45%0.05233%0.333CS..PPolyproline II helixtrans-52.5141.3176.1-25.933.7000112.4T94 R139 Y142 F143T94-P100 HydrophobicContact CG2-CB 3.87Å; T94-P100 HydrophobicContact CG2-CG 3.81Å; P100-R139 VanDerWaalsContact CD-NH1 3.31Å; P100-R139 VanDerWaalsContact CG-NH1 3.27Å; P100-Y142 HydrophobicContact CB-CD1 4.34Å; P100-Y142 HydrophobicContact CB-CE1 3.89Å; P100-Y142 HydrophobicContact CG-CD1 3.49Å; P100-Y142 VanDerWaalsContact CG-CD1 3.49Å; P100-Y142 HydrophobicContact CG-CE1 3.41Å; P100-Y142 VanDerWaalsContact CG-CE1 3.41Å; P100-Y142 HydrophobicContact CG-CG 4.19Å; P100-F143 HydrophobicContact CB-CE2 4.18Å; P100-F143 HydrophobicContact CB-CZ 4Å; P100-F143 HydrophobicContact CG-CE2 4.02Å; P100-F143 HydrophobicContact CG-CZ 4.35Å
101R95.4Very high96.2Very high189 Ų18960.7 Ų60.771%0.71333%0.334SS*.PPolyproline II helixtrans-67.5148.1175.6-54.9-177.7179.3166.8-0.9111.1E103 L104 L105R101-E103 WeakPolarHBondContact CB-OE2 3.27Å; R101-E103 PolarHBondContact O-N 3.04Å; R101-E103 VanDerWaalsContact O-N 3.14Å; R101-L104 WeakPolarHBondContact O-CB 3.35Å; R101-L104 PolarHBondContact O-N 3.32Å; R101-L105 PolarHBondContact O-N 3.5Å
102N93.9Very high96.1Very high124 Ų12459 Ų5966%0.66333%0.326SS*.Hα-helixtrans-57.3-30.4-178.6-73.9-21.5000113.3L104 L105 R106N102-L104 VanDerWaalsContact C-N 3.34Å; N102-L104 PolarHBondContact O-N 2.79Å; N102-L105 PolarHBondContact O-N 3.24Å; N102-R106 WeakPolarHBondContact O-CB 3.44Å; N102-R106 PolarHBondContact O-N 2.8Å
103E95.9Very high96Very high117 Ų11761.4 Ų61.455%0.54734%0.337SS..Hα-helixtrans-67-35.9178.3-55.676.4-160.400112.2R101 R106 K107R101-E103 WeakPolarHBondContact CB-OE2 3.27Å; R101-E103 PolarHBondContact O-N 3.04Å; R101-E103 VanDerWaalsContact O-N 3.14Å; E103-R106 PolarHBondContact O-N 3.22Å; E103-K107 PolarHBondContact O-N 3.41Å
104L97.5Very high96Very high37 Ų3760.2 Ų60.219%0.19433%0.329CS..Hα-helixtrans-68.7-42175.5-63.1176.2000110.2V92 T94 R101 N102 K107 F108 F143V92-L104 HydrophobicContact CG1-CB 4.01Å; V92-L104 HydrophobicContact CG1-CD2 3.96Å; T94-L104 HydrophobicContact CG2-CD1 4.08Å; R101-L104 WeakPolarHBondContact O-CB 3.35Å; R101-L104 PolarHBondContact O-N 3.32Å; N102-L104 VanDerWaalsContact C-N 3.34Å; N102-L104 PolarHBondContact O-N 2.79Å; L104-K107 PolarHBondContact O-N 2.93Å; L104-F108 PolarHBondContact O-N 2.91Å; L104-F143 HydrophobicContact CB-CE1 4.29Å; L104-F143 HydrophobicContact CB-CZ 4.01Å
105L96.1Very high96Very high15 Ų1560 Ų608%0.07933%0.328CS..Hα-helixtrans-61.3-44.4175.2-176.159.8000111.3R101 N102 K107 F108 V109 F143 K146R101-L105 PolarHBondContact O-N 3.5Å; N102-L105 PolarHBondContact O-N 3.24Å; L105-K107 PolarHBondContact O-N 3.27Å; L105-F108 WeakPolarHBondContact O-CB 3.21Å; L105-F108 PolarHBondContact O-N 2.8Å; L105-V109 HydrophobicContact CD1-CG2 4.49Å; L105-V109 VanDerWaalsContact O-CG2 3.23Å; L105-V109 WeakPolarHBondContact O-CG2 3.37Å; L105-V109 PolarHBondContact O-N 3.29Å; L105-F143 HydrophobicContact CB-CE1 4.41Å; L105-F143 HydrophobicContact CD1-CD1 3.89Å; L105-F143 HydrophobicContact CD1-CE1 4.34Å; L105-K146 HydrophobicContact CD1-CB 3.92Å; L105-K146 HydrophobicContact CD2-CB 4.24Å
106R96.3Very high96Very high139 Ų13959.4 Ų59.453%0.52532%0.318SS..Hα-helixtrans-58.9-46175.1-175.5177.962.782.6-0.5111.6N102 E103 F108 V109 E110N102-R106 WeakPolarHBondContact O-CB 3.44Å; N102-R106 PolarHBondContact O-N 2.8Å; E103-R106 PolarHBondContact O-N 3.22Å; R106-F108 VanDerWaalsContact C-N 3.34Å; R106-F108 PolarHBondContact O-N 3.06Å; R106-V109 PolarHBondContact O-N 3.36Å; R106-E110 WeakPolarHBondContact CG-OE1 3.36Å; R106-E110 IonicContact CZ-OE1 3.77Å; R106-E110 IonicContact NH1-OE1 3.86Å; R106-E110 PolarHBondContact NH1-OE1 2.91Å; R106-E110 IonicContact NH1-OE2 2.8Å; R106-E110 PolarHBondContact NH1-OE2 3.07Å; R106-E110 WeakPolarHBondContact O-CG 3.49Å; R106-E110 PolarHBondContact O-N 2.94Å
107K97.8Very high96.2Very high79 Ų7963.2 Ų63.234%0.34332%0.319SS..Hα-helixtrans-58.8-45.4175.9-177.9175.8-178.6-174.50111.6H91 V92 E103 L104 L105 V109 E110 E111H91-K107 PolarHBondContact O-NZ 3.32Å; V92-K107 HydrophobicContact CG2-CD 4.06Å; V92-K107 HydrophobicContact CG2-CG 4.18Å; E103-K107 PolarHBondContact O-N 3.41Å; L104-K107 PolarHBondContact O-N 2.93Å; L105-K107 PolarHBondContact O-N 3.27Å; K107-V109 VanDerWaalsContact C-N 3.35Å; K107-V109 PolarHBondContact O-N 3.49Å; K107-E110 PolarHBondContact O-N 2.69Å; K107-E111 WeakPolarHBondContact O-CG 3.06Å; K107-E111 PolarHBondContact O-N 2.93Å; K107-E111 VanDerWaalsContact O-N 3.13Å
108F98.4Very high96.5Very high0 Ų066.8 Ų66.80%031%0.31CS..Hα-helixtrans-58.2-46.9175.8178.4-90.5000111.9F26 I68 I70 L104 L105 R106 E110 E111 V112 V131 F143 I144 Y147F26-F108 HydrophobicContact CE1-CE1 4.42Å; F26-F108 AromaticContact CE1-CZ 3.89Å; F26-F108 HydrophobicContact CE1-CZ 3.89Å; F26-F108 HydrophobicContact CZ-CE1 4.38Å; F26-F108 HydrophobicContact CZ-CZ 4.28Å; I68-F108 HydrophobicContact CB-CE2 4.48Å; I68-F108 HydrophobicContact CD1-CD2 4.07Å; I68-F108 HydrophobicContact CD1-CE2 3.9Å; I68-F108 HydrophobicContact CG2-CD2 3.89Å; I68-F108 HydrophobicContact CG2-CE2 4.18Å; I70-F108 HydrophobicContact CD1-CD2 4.09Å; I70-F108 HydrophobicContact CD1-CE2 4.49Å; L104-F108 PolarHBondContact O-N 2.91Å; L105-F108 WeakPolarHBondContact O-CB 3.21Å; L105-F108 PolarHBondContact O-N 2.8Å; R106-F108 VanDerWaalsContact C-N 3.34Å; R106-F108 PolarHBondContact O-N 3.06Å; F108-E110 PolarHBondContact O-N 3.22Å; F108-E111 PolarHBondContact O-N 2.83Å; F108-V112 HydrophobicContact CD1-CG2 4.07Å; F108-V112 HydrophobicContact CE1-CG2 3.67Å; F108-V112 HydrophobicContact CZ-CG2 3.92Å; F108-V112 WeakPolarHBondContact O-CG2 3.39Å; F108-V112 PolarHBondContact O-N 2.83Å; F108-V131 HydrophobicContact CE2-CG1 3.94Å; F108-V131 HydrophobicContact CE2-CG2 3.83Å; F108-V131 HydrophobicContact CZ-CG2 4.03Å; F108-F143 HydrophobicContact CB-CD1 3.4Å; F108-F143 HydrophobicContact CB-CE1 3.75Å; F108-F143 HydrophobicContact CB-CG 4.45Å; F108-F143 HydrophobicContact CD1-CB 4.08Å; F108-F143 HydrophobicContact CD1-CD1 4Å; F108-F143 HydrophobicContact CD2-CB 3.85Å; F108-F143 AromaticContact CD2-CD1 3.79Å; F108-F143 HydrophobicContact CD2-CD1 3.79Å; F108-F143 HydrophobicContact CD2-CG 4.06Å; F108-F143 HydrophobicContact CE1-CB 4.02Å; F108-F143 WeakPolarHBondContact CE1-O 3.47Å; F108-F143 HydrophobicContact CE2-CB 3.81Å; F108-F143 HydrophobicContact CE2-CG 4.48Å; F108-F143 HydrophobicContact CG-CB 4.01Å; F108-F143 AromaticContact CG-CD1 3.46Å; F108-F143 HydrophobicContact CG-CD1 3.46Å; F108-F143 VanDerWaalsContact CG-CD1 3.46Å; F108-F143 HydrophobicContact CG-CE1 4.29Å; F108-F143 HydrophobicContact CG-CG 4.11Å; F108-F143 HydrophobicContact CZ-CB 3.89Å; F108-I144 HydrophobicContact CZ-CG1 4.39Å; F108-Y147 HydrophobicContact CE1-CG 4.34Å
109V97.5Very high96.5Very high4 Ų466.2 Ų66.22%0.02430%0.297CS..Hα-helixtrans-60.5-45.1179171.50000111.3L105 R106 K107 E111 V112 K113 Y147 Y151L105-V109 HydrophobicContact CD1-CG2 4.49Å; L105-V109 VanDerWaalsContact O-CG2 3.23Å; L105-V109 WeakPolarHBondContact O-CG2 3.37Å; L105-V109 PolarHBondContact O-N 3.29Å; R106-V109 PolarHBondContact O-N 3.36Å; K107-V109 VanDerWaalsContact C-N 3.35Å; K107-V109 PolarHBondContact O-N 3.49Å; V109-E111 VanDerWaalsContact C-N 3.29Å; V109-E111 PolarHBondContact O-N 3.36Å; V109-V112 PolarHBondContact O-N 3.48Å; V109-K113 HydrophobicContact CG1-CD 4.16Å; V109-K113 HydrophobicContact CG1-CG 4.39Å; V109-K113 WeakPolarHBondContact O-CG 3.38Å; V109-K113 PolarHBondContact O-N 2.62Å; V109-Y147 HydrophobicContact CG1-CD2 4.5Å; V109-Y147 HydrophobicContact CG1-CE2 4.47Å; V109-Y147 HydrophobicContact CG2-CD2 4.12Å; V109-Y151 HydrophobicContact CB-CE2 4.3Å; V109-Y151 HydrophobicContact CG1-CD1 4.11Å; V109-Y151 HydrophobicContact CG1-CD2 4.33Å; V109-Y151 HydrophobicContact CG1-CE1 3.65Å; V109-Y151 HydrophobicContact CG1-CE2 3.92Å; V109-Y151 HydrophobicContact CG1-CG 4.41Å; V109-Y151 HydrophobicContact CG2-CD2 4.02Å; V109-Y151 HydrophobicContact CG2-CE2 3.36Å
110E97.6Very high96.2Very high92 Ų9271.8 Ų71.843%0.4332%0.316SS..Hα-helixtrans-59-40.6177.8-74.8168.2-178.800111.9R106 K107 F108 K113 S114R106-E110 WeakPolarHBondContact CG-OE1 3.36Å; R106-E110 IonicContact CZ-OE1 3.77Å; R106-E110 IonicContact NH1-OE1 3.86Å; R106-E110 PolarHBondContact NH1-OE1 2.91Å; R106-E110 IonicContact NH1-OE2 2.8Å; R106-E110 PolarHBondContact NH1-OE2 3.07Å; R106-E110 WeakPolarHBondContact O-CG 3.49Å; R106-E110 PolarHBondContact O-N 2.94Å; K107-E110 PolarHBondContact O-N 2.69Å; F108-E110 PolarHBondContact O-N 3.22Å; E110-K113 PolarHBondContact O-N 2.68Å; E110-S114 WeakPolarHBondContact O-CB 3.26Å; E110-S114 PolarHBondContact O-N 3.19Å
111E98.1Very high96Very high35 Ų3579.2 Ų79.216%0.16434%0.343CS..Hα-helixtrans-69.5-34.7177.2-67.5-60.816300113.6K66 I68 I90 K107 F108 V109 S114 F115K66-E111 HydrophobicContact CD-CB 4.44Å; K66-E111 PolarHBondContact NZ-O 2.91Å; K66-E111 IonicContact NZ-OE2 2.62Å; K66-E111 PolarHBondContact NZ-OE2 3.39Å; I68-E111 HydrophobicContact CD1-CB 4.01Å; I90-E111 HydrophobicContact CB-CG 4.41Å; I90-E111 HydrophobicContact CG1-CG 4.18Å; I90-E111 HydrophobicContact CG2-CG 3.93Å; K107-E111 WeakPolarHBondContact O-CG 3.06Å; K107-E111 PolarHBondContact O-N 2.93Å; K107-E111 VanDerWaalsContact O-N 3.13Å; F108-E111 PolarHBondContact O-N 2.83Å; V109-E111 VanDerWaalsContact C-N 3.29Å; V109-E111 PolarHBondContact O-N 3.36Å; E111-S114 PolarHBondContact O-OG 3.24Å; E111-F115 PolarHBondContact O-N 3.28Å; E111-F115 VanDerWaalsContact O-N 3.11Å
112V98.1Very high95.9Very high0 Ų072.9 Ų72.90%032%0.319CS..Hα-helixtrans-69.8-42174173.90000110.8F25 F26 I68 F108 V109 F115 K116 I129 Y147F25-V112 HydrophobicContact CE2-CG1 3.64Å; F25-V112 HydrophobicContact CZ-CG1 3.6Å; F26-V112 HydrophobicContact CE1-CG1 4.48Å; F26-V112 HydrophobicContact CE1-CG2 3.78Å; F26-V112 HydrophobicContact CZ-CB 4.46Å; F26-V112 HydrophobicContact CZ-CG1 3.84Å; F26-V112 HydrophobicContact CZ-CG2 3.73Å; I68-V112 HydrophobicContact CD1-CG2 4.23Å; F108-V112 HydrophobicContact CD1-CG2 4.07Å; F108-V112 HydrophobicContact CE1-CG2 3.67Å; F108-V112 HydrophobicContact CZ-CG2 3.92Å; F108-V112 WeakPolarHBondContact O-CG2 3.39Å; F108-V112 PolarHBondContact O-N 2.83Å; V109-V112 PolarHBondContact O-N 3.48Å; V112-F115 WeakPolarHBondContact O-CB 3.27Å; V112-F115 PolarHBondContact O-N 3.1Å; V112-K116 PolarHBondContact O-N 2.99Å; V112-I129 HydrophobicContact CG1-CD1 4.49Å; V112-I129 HydrophobicContact CG2-CD1 4.12Å; V112-Y147 HydrophobicContact CB-CD2 4.14Å; V112-Y147 HydrophobicContact CB-CE2 3.77Å; V112-Y147 HydrophobicContact CG1-CD1 4.35Å; V112-Y147 HydrophobicContact CG1-CD2 4Å; V112-Y147 HydrophobicContact CG1-CE1 3.78Å; V112-Y147 HydrophobicContact CG1-CE2 3.35Å; V112-Y147 HydrophobicContact CG1-CG 4.47Å; V112-Y147 WeakPolarHBondContact CG1-OH 3.4Å; V112-Y147 HydrophobicContact CG2-CD2 4.43Å
113K95.5Very high95.8Very high52 Ų5270.3 Ų70.323%0.22632%0.315CS..Hα-helixtrans-61.7-47.5175.4-74.3-177.3175.6-1690111.4V109 E110 F115 K116 E117 T191V109-K113 HydrophobicContact CG1-CD 4.16Å; V109-K113 HydrophobicContact CG1-CG 4.39Å; V109-K113 WeakPolarHBondContact O-CG 3.38Å; V109-K113 PolarHBondContact O-N 2.62Å; E110-K113 PolarHBondContact O-N 2.68Å; K113-F115 PolarHBondContact O-N 3.3Å; K113-K116 PolarHBondContact O-N 3.06Å; K113-E117 WeakPolarHBondContact O-CG 3.49Å; K113-E117 PolarHBondContact O-N 3.27Å; K113-T191 PolarHBondContact NZ-O 3.37Å; K113-T191 PolarHBondContact NZ-OG1 3.12Å
114S96.7Very high95.7Very high30 Ų3073.2 Ų73.221%0.2132%0.323CS..Hα-helixtrans-60.2-35.4177.376.50000112.1K66 E110 E111 R118K66-S114 PolarHBondContact NZ-OG 2.97Å; K66-S114 VanDerWaalsContact NZ-OG 3.12Å; E110-S114 WeakPolarHBondContact O-CB 3.26Å; E110-S114 PolarHBondContact O-N 3.19Å; E111-S114 PolarHBondContact O-OG 3.24Å; S114-R118 WeakPolarHBondContact O-CB 3.48Å; S114-R118 PolarHBondContact O-N 3.12Å; S114-R118 VanDerWaalsContact O-N 3.07Å
115F97.7Very high95.6Very high1 Ų172.9 Ų72.90%0.00432%0.321CS..Hα-helixtrans-63.8-50170.8172.7-82.4000111.8F25 R65 K66 E111 V112 K113 E117 R118 W119 W122 I129F25-F115 HydrophobicContact CB-CE1 3.86Å; F25-F115 HydrophobicContact CB-CZ 4.14Å; F25-F115 HydrophobicContact CD1-CE1 4.06Å; F25-F115 AromaticContact CD2-CD1 3.94Å; F25-F115 HydrophobicContact CD2-CD1 3.94Å; F25-F115 AromaticContact CD2-CE1 3.67Å; F25-F115 HydrophobicContact CD2-CE1 3.67Å; F25-F115 HydrophobicContact CD2-CZ 4.39Å; F25-F115 HydrophobicContact CE2-CD1 4.12Å; F25-F115 HydrophobicContact CE2-CE1 4.28Å; F25-F115 HydrophobicContact CG-CD1 4.19Å; F25-F115 AromaticContact CG-CE1 3.54Å; F25-F115 HydrophobicContact CG-CE1 3.54Å; F25-F115 HydrophobicContact CG-CZ 4.28Å; R65-F115 HydrophobicContact CB-CD2 4.37Å; R65-F115 HydrophobicContact CB-CE2 3.86Å; R65-F115 HydrophobicContact CG-CE2 4.19Å; K66-F115 HydrophobicContact CB-CD2 4.19Å; E111-F115 PolarHBondContact O-N 3.28Å; E111-F115 VanDerWaalsContact O-N 3.11Å; V112-F115 WeakPolarHBondContact O-CB 3.27Å; V112-F115 PolarHBondContact O-N 3.1Å; K113-F115 PolarHBondContact O-N 3.3Å; F115-E117 VanDerWaalsContact C-N 3.28Å; F115-E117 PolarHBondContact O-N 3.38Å; F115-R118 PolarHBondContact O-N 3.06Å; F115-W119 AromaticContact CD2-CD1 3.47Å; F115-W119 VanDerWaalsContact CD2-CD1 3.47Å; F115-W119 HydrophobicContact CD2-CG 4.34Å; F115-W119 HydrophobicContact CE1-CB 4.25Å; F115-W119 HydrophobicContact CE2-CB 4.42Å; F115-W119 AromaticContact CE2-CD1 3.64Å; F115-W119 HydrophobicContact CE2-CG 4.16Å; F115-W119 AromaticContact CG-CD1 4Å; F115-W119 HydrophobicContact CZ-CB 4.17Å; F115-W119 HydrophobicContact CZ-CG 4.38Å; F115-W119 WeakPolarHBondContact O-CB 3.31Å; F115-W119 PolarHBondContact O-N 2.95Å; F115-W122 HydrophobicContact CE1-CB 4.06Å; F115-W122 HydrophobicContact CE1-CG 4.4Å; F115-W122 HydrophobicContact CZ-CB 4.26Å; F115-I129 HydrophobicContact CB-CD1 3.65Å; F115-I129 HydrophobicContact CB-CG1 4.18Å; F115-I129 HydrophobicContact CD1-CD1 3.78Å; F115-I129 HydrophobicContact CD1-CG1 3.87Å; F115-I129 HydrophobicContact CD2-CD1 3.87Å; F115-I129 HydrophobicContact CD2-CG1 3.39Å; F115-I129 HydrophobicContact CE1-CD1 4.42Å; F115-I129 HydrophobicContact CE1-CG1 4.08Å; F115-I129 HydrophobicContact CE2-CD1 4.45Å; F115-I129 HydrophobicContact CE2-CG1 3.57Å; F115-I129 HydrophobicContact CG-CD1 3.5Å; F115-I129 VanDerWaalsContact CG-CD1 3.5Å; F115-I129 HydrophobicContact CG-CG1 3.55Å; F115-I129 HydrophobicContact CZ-CG1 3.94Å
116K94.7Very high95.6Very high66 Ų6679.2 Ų79.229%0.28734%0.344SS..Hα-helixtrans-60.3-38.9-179.9-73.7-177.880.2174.80111.7F25 V112 K113 W119 K120 Y147 E152F25-K116 HydrophobicContact CE1-CD 3.78Å; F25-K116 HydrophobicContact CE1-CG 3.57Å; F25-K116 HydrophobicContact CZ-CD 3.78Å; F25-K116 HydrophobicContact CZ-CG 3.61Å; V112-K116 PolarHBondContact O-N 2.99Å; K113-K116 PolarHBondContact O-N 3.06Å; K116-W119 CarbonylContact O-C 3.49Å; K116-K120 WeakPolarHBondContact O-CA 3.35Å; K116-K120 WeakPolarHBondContact O-CG 3.35Å; K116-K120 PolarHBondContact O-N 3.28Å; K116-Y147 WeakPolarHBondContact CD-OH 3.46Å; K116-E152 VanDerWaalsContact NZ-CD 3.3Å; K116-E152 IonicContact NZ-OE1 3.81Å; K116-E152 PolarHBondContact NZ-OE1 3.23Å; K116-E152 IonicContact NZ-OE2 3.01Å; K116-E152 PolarHBondContact NZ-OE2 2.84Å; K116-E152 VanDerWaalsContact NZ-OE2 3.09Å
117E95Very high95.7Very high138 Ų13872.6 Ų72.665%0.64532%0.319SS*.Hα-helixtrans-66.7-41.3177.6-73.3175.7-179.600112.8K113 F115 K120K113-E117 WeakPolarHBondContact O-CG 3.49Å; K113-E117 PolarHBondContact O-N 3.27Å; F115-E117 VanDerWaalsContact C-N 3.28Å; F115-E117 PolarHBondContact O-N 3.38Å; E117-K120 VanDerWaalsContact O-CE 3.26Å; E117-K120 WeakPolarHBondContact O-CE 3.29Å; E117-K120 VanDerWaalsContact O-CG 3.28Å; E117-K120 WeakPolarHBondContact O-CG 3.31Å
118R95.7Very high95.7Very high149 Ų14968.9 Ų68.956%0.56230%0.303SS*.Hα-helixtrans-77.4-37.1179.7-167.7178.6-61.6154.27.2112.3E88 S114 F115E88-R118 IonicContact OE2-CZ 2.62Å; E88-R118 IonicContact OE2-NH1 3.37Å; E88-R118 PolarHBondContact OE2-NH1 3.36Å; S114-R118 WeakPolarHBondContact O-CB 3.48Å; S114-R118 PolarHBondContact O-N 3.12Å; S114-R118 VanDerWaalsContact O-N 3.07Å; F115-R118 PolarHBondContact O-N 3.06Å
119W94.2Very high95.7Very high63 Ų6368.9 Ų68.924%0.23930%0.303CS..THydrogen-bonded Turntrans-11352.7-176.3-57.8104.5000111.2R65 F115 K116 R121 W122R65-W119 HydrophobicContact CB-CD2 4.48Å; R65-W119 HydrophobicContact CB-CZ2 4.1Å; R65-W119 HydrophobicContact CG-CD2 3.92Å; R65-W119 HydrophobicContact CG-CE3 4.41Å; R65-W119 HydrophobicContact CG-CG 4.36Å; R65-W119 HydrophobicContact CG-CH2 4.41Å; R65-W119 HydrophobicContact CG-CZ2 3.87Å; F115-W119 AromaticContact CD2-CD1 3.47Å; F115-W119 VanDerWaalsContact CD2-CD1 3.47Å; F115-W119 HydrophobicContact CD2-CG 4.34Å; F115-W119 HydrophobicContact CE1-CB 4.25Å; F115-W119 HydrophobicContact CE2-CB 4.42Å; F115-W119 AromaticContact CE2-CD1 3.64Å; F115-W119 HydrophobicContact CE2-CG 4.16Å; F115-W119 AromaticContact CG-CD1 4Å; F115-W119 HydrophobicContact CZ-CB 4.17Å; F115-W119 HydrophobicContact CZ-CG 4.38Å; F115-W119 WeakPolarHBondContact O-CB 3.31Å; F115-W119 PolarHBondContact O-N 2.95Å; K116-W119 CarbonylContact O-C 3.49Å; W119-R121 PolarHBondContact O-N 3.26Å; W119-W122 HydrophobicContact CB-CB 4.31Å; W119-W122 VanDerWaalsContact O-CB 3.23Å; W119-W122 WeakPolarHBondContact O-CB 3.31Å; W119-W122 VanDerWaalsContact O-CD1 3.31Å; W119-W122 PolarHBondContact O-N 2.89Å
120K90.7Very high95.8Very high170 Ų17068.7 Ų68.774%0.73930%0.302SS*.THydrogen-bonded Turntrans-53.9-29-177.6-61.4-175.3179.1-179.30114.2K116 E117K116-K120 WeakPolarHBondContact O-CA 3.35Å; K116-K120 WeakPolarHBondContact O-CG 3.35Å; K116-K120 PolarHBondContact O-N 3.28Å; E117-K120 VanDerWaalsContact O-CE 3.26Å; E117-K120 WeakPolarHBondContact O-CE 3.29Å; E117-K120 VanDerWaalsContact O-CG 3.28Å; E117-K120 WeakPolarHBondContact O-CG 3.31Å
121R92.9Very high95.8Very high163 Ų16364.3 Ų64.362%0.61528%0.281SS*.THydrogen-bonded Turntrans-98.825.8178.4-61.5-175.267.4171.40.5112.9W119 A123 Y124 D125W119-R121 PolarHBondContact O-N 3.26Å; R121-A123 PolarHBondContact O-N 2.8Å; R121-A123 VanDerWaalsContact O-N 3.07Å; R121-Y124 WeakPolarHBondContact O-CA 3.35Å; R121-Y124 WeakPolarHBondContact O-CB 3.37Å; R121-Y124 PolarHBondContact O-N 3.09Å; R121-D125 PolarHBondContact O-N 3.08Å
122W94.1Very high95.9Very high56 Ų5662.6 Ų62.621%0.21227%0.273CS..Hα-helixtrans-49.7-36.8-177.163.3-95.1000113.1T24 F25 F115 W119 D125 R126 S127T24-W122 VanDerWaalsContact C-CH2 3.48Å; T24-W122 WeakPolarHBondContact O-CZ3 3.43Å; F25-W122 HydrophobicContact CB-CD2 3.94Å; F25-W122 HydrophobicContact CB-CE3 3.65Å; F25-W122 HydrophobicContact CB-CG 4.39Å; F25-W122 HydrophobicContact CB-CZ3 4.13Å; F25-W122 AromaticContact CD1-CD2 3.65Å; F25-W122 HydrophobicContact CD1-CD2 3.65Å; F25-W122 AromaticContact CD1-CE2 3.55Å; F25-W122 HydrophobicContact CD1-CE3 4.07Å; F25-W122 HydrophobicContact CD1-CG 4.05Å; F25-W122 HydrophobicContact CD1-CH2 4.3Å; F25-W122 AromaticContact CD1-CZ2 3.89Å; F25-W122 HydrophobicContact CD1-CZ2 3.89Å; F25-W122 HydrophobicContact CD1-CZ3 4.39Å; F25-W122 AromaticContact CD1-NE1 3.84Å; F25-W122 HydrophobicContact CE1-CZ2 4.5Å; F25-W122 HydrophobicContact CG-CD2 4.25Å; F25-W122 HydrophobicContact CG-CE3 4.38Å; F115-W122 HydrophobicContact CE1-CB 4.06Å; F115-W122 HydrophobicContact CE1-CG 4.4Å; F115-W122 HydrophobicContact CZ-CB 4.26Å; W119-W122 HydrophobicContact CB-CB 4.31Å; W119-W122 VanDerWaalsContact O-CB 3.23Å; W119-W122 WeakPolarHBondContact O-CB 3.31Å; W119-W122 VanDerWaalsContact O-CD1 3.31Å; W119-W122 PolarHBondContact O-N 2.89Å; W122-D125 WeakPolarHBondContact CA-OD1 3.24Å; W122-D125 VanDerWaalsContact O-OD1 3.13Å; W122-R126 CarbonylContact O-C 3.27Å; W122-R126 WeakPolarHBondContact O-CA 3.25Å; W122-R126 PolarHBondContact O-N 2.88Å; W122-S127 PolarHBondContact O-N 2.94Å
123A92.2Very high95.8Very high70 Ų7062.9 Ų62.958%0.57928%0.275SS*.Hα-helixtrans-67.7-36.6178.300000112.6R121R121-A123 PolarHBondContact O-N 2.8Å; R121-A123 VanDerWaalsContact O-N 3.07Å
124Y93.5Very high95.9Very high178 Ų17862.1 Ų62.170%0.69828%0.275SS*.Hα-helixtrans-77.7-43.9179.7176.2-97.2000111.8R121 R126R121-Y124 WeakPolarHBondContact O-CA 3.35Å; R121-Y124 WeakPolarHBondContact O-CB 3.37Å; R121-Y124 PolarHBondContact O-N 3.09Å; Y124-R126 VanDerWaalsContact C-N 3.3Å
125D93.9Very high96Very high30 Ų3062.7 Ų62.716%0.1627%0.274CS..Hα-helixtrans-88.6-0.6-177.981.3-18.8000113.8K63 R65 R121 W122 S127K63-D125 WeakPolarHBondContact CD-O 3.16Å; K63-D125 WeakPolarHBondContact CE-O 3.49Å; R65-D125 IonicContact NH2-OD2 3.09Å; R65-D125 PolarHBondContact NH2-OD2 3.03Å; R121-D125 PolarHBondContact O-N 3.08Å; W122-D125 WeakPolarHBondContact CA-OD1 3.24Å; W122-D125 VanDerWaalsContact O-OD1 3.13Å; D125-S127 VanDerWaalsContact C-N 3.25Å; D125-S127 PolarHBondContact O-N 3.11Å; D125-S127 WeakPolarHBondContact OD1-CB 3.24Å; D125-S127 PolarHBondContact OD1-N 3.4Å; D125-S127 PolarHBondContact OD1-OG 2.78Å; D125-S127 PolarHBondContact OD2-OG 3.02Å
126R96.9Very high96Very high148 Ų14862.6 Ų62.656%0.55827%0.274SS*.THydrogen-bonded Turntrans57.735.2-177.3-56.4-176.4178.2-173.9-2.4112.6G61 Y62 K63 W122 Y124G61-R126 WeakPolarHBondContact O-CD 3.22Å; Y62-R126 CarbonylContact C-O 3.57Å; Y62-R126 WeakPolarHBondContact CA-O 3.35Å; Y62-R126 HydrophobicContact CD1-CB 3.86Å; Y62-R126 HydrophobicContact CE1-CB 4.43Å; K63-R126 PolarHBondContact N-O 2.85Å; W122-R126 CarbonylContact O-C 3.27Å; W122-R126 WeakPolarHBondContact O-CA 3.25Å; W122-R126 PolarHBondContact O-N 2.88Å; Y124-R126 VanDerWaalsContact C-N 3.3Å
127S98.2Very high96.1Very high0 Ų059.5 Ų59.50%026%0.26CS..EExtended strand (participates in β ladder)trans-73.2137.3174.5-71.90000111.8K63 R65 W122 D125K63-S127 WeakPolarHBondContact O-CA 3.45Å; R65-S127 WeakPolarHBondContact CG-OG 3.39Å; R65-S127 PolarHBondContact NE-OG 2.93Å; W122-S127 PolarHBondContact O-N 2.94Å; D125-S127 VanDerWaalsContact C-N 3.25Å; D125-S127 PolarHBondContact O-N 3.11Å; D125-S127 WeakPolarHBondContact OD1-CB 3.24Å; D125-S127 PolarHBondContact OD1-N 3.4Å; D125-S127 PolarHBondContact OD1-OG 2.78Å; D125-S127 PolarHBondContact OD2-OG 3.02Å
128V98.6Very high96.2Very high1 Ų153.9 Ų53.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-134.1156.7-177.3-63.90000113.2F25 I27 I57 Y62 K63 R65F25-V128 CarbonylContact O-C 3.43Å; F25-V128 VanDerWaalsContact O-CA 3.31Å; F25-V128 WeakPolarHBondContact O-CA 3.41Å; F25-V128 WeakPolarHBondContact O-CB 3.27Å; I27-V128 HydrophobicContact CD1-CB 4.22Å; I27-V128 HydrophobicContact CD1-CG1 4.2Å; I27-V128 HydrophobicContact CD1-CG2 3.88Å; I27-V128 HydrophobicContact CG1-CB 4.41Å; I27-V128 HydrophobicContact CG1-CG1 4.44Å; I57-V128 HydrophobicContact CG2-CG2 3.76Å; Y62-V128 HydrophobicContact CD1-CG1 3.4Å; Y62-V128 VanDerWaalsContact CD1-CG1 3.4Å; Y62-V128 HydrophobicContact CE1-CG1 4.11Å; Y62-V128 HydrophobicContact CG-CG1 3.81Å; K63-V128 PolarHBondContact O-N 3.3Å; R65-V128 PolarHBondContact N-O 3.21Å
129I98.5Very high96.3Very high0 Ų047.9 Ų47.90%021%0.212CC..EExtended strand (participates in β ladder)trans-99.9129.5162.9-55.4-178.6000108.1F25 F26 I27 K66 I68 V112 F115 V131F25-I129 HydrophobicContact CD2-CB 4.38Å; F25-I129 HydrophobicContact CD2-CD1 3.78Å; F25-I129 HydrophobicContact CD2-CG1 3.85Å; F25-I129 HydrophobicContact CE2-CD1 3.68Å; F25-I129 HydrophobicContact CE2-CG1 4.28Å; F25-I129 PolarHBondContact O-N 3.36Å; F26-I129 HydrophobicContact CD1-CB 4.33Å; F26-I129 HydrophobicContact CE1-CD1 4.29Å; I27-I129 PolarHBondContact N-O 2.66Å; K66-I129 HydrophobicContact CB-CG1 4.27Å; K66-I129 HydrophobicContact CB-CG2 4.39Å; K66-I129 CarbonylContact O-C 3.51Å; K66-I129 WeakPolarHBondContact O-CA 3.45Å; I68-I129 HydrophobicContact CD1-CG2 3.83Å; I68-I129 HydrophobicContact CG1-CG2 3.88Å; V112-I129 HydrophobicContact CG1-CD1 4.49Å; V112-I129 HydrophobicContact CG2-CD1 4.12Å; F115-I129 HydrophobicContact CB-CD1 3.65Å; F115-I129 HydrophobicContact CB-CG1 4.18Å; F115-I129 HydrophobicContact CD1-CD1 3.78Å; F115-I129 HydrophobicContact CD1-CG1 3.87Å; F115-I129 HydrophobicContact CD2-CD1 3.87Å; F115-I129 HydrophobicContact CD2-CG1 3.39Å; F115-I129 HydrophobicContact CE1-CD1 4.42Å; F115-I129 HydrophobicContact CE1-CG1 4.08Å; F115-I129 HydrophobicContact CE2-CD1 4.45Å; F115-I129 HydrophobicContact CE2-CG1 3.57Å; F115-I129 HydrophobicContact CG-CD1 3.5Å; F115-I129 VanDerWaalsContact CG-CD1 3.5Å; F115-I129 HydrophobicContact CG-CG1 3.55Å; F115-I129 HydrophobicContact CZ-CG1 3.94Å; I129-V131 HydrophobicContact CG2-CG2 4.08Å
130C98.8Very high96.5Very high0 Ų044.9 Ų44.90%020%0.201CC..EExtended strand (participates in β ladder)trans-92.8123.8163.9-179.20000109.7I27 I57 L64 K66 V67 I68I27-C130 CarbonylContact O-C 3.6Å; I27-C130 VanDerWaalsContact O-CA 3.29Å; I27-C130 WeakPolarHBondContact O-CA 3.34Å; I57-C130 HydrophobicContact CD1-CB 3.94Å; L64-C130 HydrophobicContact CD1-CB 3.59Å; K66-C130 PolarHBondContact O-N 3.05Å; V67-C130 CarbonylContact C-O 3.56Å; V67-C130 VanDerWaalsContact CA-O 3.31Å; V67-C130 WeakPolarHBondContact CA-O 3.41Å; V67-C130 HydrophobicContact CG2-CB 4.29Å; I68-C130 PolarHBondContact N-O 3.27Å
131V98.9Very high96.9Very high0 Ų036.8 Ų36.80%017%0.165CC..EExtended strand (participates in β ladder)trans-105.2117.1171.8-173.90000108F26 I27 A28 S29 I68 I70 F108 I129 A140 I144F26-V131 HydrophobicContact CD1-CG2 3.89Å; F26-V131 HydrophobicContact CE1-CG2 4.2Å; I27-V131 PolarHBondContact O-N 2.99Å; A28-V131 WeakPolarHBondContact CA-O 3.06Å; S29-V131 PolarHBondContact N-O 2.88Å; S29-V131 VanDerWaalsContact N-O 3.08Å; I68-V131 WeakPolarHBondContact O-CA 3.37Å; I70-V131 HydrophobicContact CD1-CG1 4.26Å; I70-V131 HydrophobicContact CG1-CG1 3.73Å; F108-V131 HydrophobicContact CE2-CG1 3.94Å; F108-V131 HydrophobicContact CE2-CG2 3.83Å; F108-V131 HydrophobicContact CZ-CG2 4.03Å; I129-V131 HydrophobicContact CG2-CG2 4.08Å; V131-A140 HydrophobicContact CG1-CB 4.03Å; V131-I144 HydrophobicContact CB-CD1 3.98Å; V131-I144 HydrophobicContact CB-CG1 4.33Å; V131-I144 HydrophobicContact CG2-CD1 4.06Å; V131-I144 HydrophobicContact CG2-CG1 4.04Å
132C98.3Very high97.1Very high0 Ų029.1 Ų29.10%014%0.136CC..EExtended strand (participates in β ladder)trans-114.9144.5179.261.30000112.5S29 I68 I70S29-C132 VanDerWaalsContact O-CA 3.24Å; S29-C132 WeakPolarHBondContact O-CA 3.39Å; S29-C132 WeakPolarHBondContact O-CB 3.29Å; I68-C132 PolarHBondContact O-N 2.79Å; I70-C132 WeakPolarHBondContact CB-O 3.14Å; I70-C132 WeakPolarHBondContact CG1-O 3.33Å; I70-C132 PolarHBondContact N-O 2.92Å
133S97.4Very high97.4Very high6 Ų626.4 Ų26.44%0.04213%0.126CC..EExtended strand (participates in β ladder)trans-134-174.4165.773.40000108S29 K30 T31 H135 G136S29-S133 PolarHBondContact O-N 3.45Å; K30-S133 CarbonylContact C-O 3.47Å; T31-S133 WeakPolarHBondContact CA-O 3.45Å; T31-S133 WeakPolarHBondContact CB-O 3.38Å; T31-S133 PolarHBondContact N-O 2.87Å; S133-H135 VanDerWaalsContact C-N 3.29Å; S133-H135 PolarHBondContact O-N 3.08Å; S133-G136 PolarHBondContact O-N 2.78Å; S133-G136 WeakPolarHBondContact OG-CA 3.38Å; S133-G136 PolarHBondContact OG-N 2.96Å
134T97.5Very high97.7Very high35 Ų3523.1 Ų23.122%0.21510%0.099CC..SBendtrans-51-50.8-177.4-56.20000111.6P8 T31P8-T134 HydrophobicContact CB-CG2 3.41Å; P8-T134 VanDerWaalsContact CB-CG2 3.41Å; P8-T134 HydrophobicContact CG-CG2 4.19Å; T31-T134 PolarHBondContact N-O 2.54Å
135H97.6Very high97.9Very high42 Ų4214.6 Ų14.619%0.1947%0.066CC..SBendtrans-107-11.2-179.9-48.699000113.1L9 Y14 K30 S133 V137 R167L9-H135 PolarHBondContact O-NE2 2.93Å; Y14-H135 HydrophobicContact CD1-CB 3.88Å; Y14-H135 HydrophobicContact CD2-CB 3.81Å; Y14-H135 AromaticContact CD2-CD2 3.37Å; Y14-H135 WeakPolarHBondContact CD2-CD2 3.2Å; Y14-H135 AromaticContact CD2-CG 3.91Å; Y14-H135 HydrophobicContact CE1-CB 3.87Å; Y14-H135 HydrophobicContact CE2-CB 3.82Å; Y14-H135 AromaticContact CE2-CD2 3.13Å; Y14-H135 WeakPolarHBondContact CE2-CD2 3.38Å; Y14-H135 AromaticContact CE2-CG 3.63Å; Y14-H135 AromaticContact CE2-NE2 3.92Å; Y14-H135 HydrophobicContact CG-CB 3.82Å; Y14-H135 AromaticContact CZ-CD2 3.86Å; Y14-H135 AromaticContact CZ-CG 3.91Å; K30-H135 WeakPolarHBondContact CB-O 3.39Å; S133-H135 VanDerWaalsContact C-N 3.29Å; S133-H135 PolarHBondContact O-N 3.08Å; H135-V137 VanDerWaalsContact C-N 3.28Å; H135-V137 HydrophobicContact CB-CG2 4.46Å; H135-V137 PolarHBondContact O-N 3.42Å; H135-R167 PolarHBondContact O-NH2 3.02Å
136G97.8Very high98.1Very high0 Ų014.1 Ų14.10%06%0.062CC..SBendtrans74.317.4-179.100000114.4S29 S133 R167S29-G136 VanDerWaalsContact C-CA 3.47Å; S29-G136 WeakPolarHBondContact O-CA 3.49Å; S133-G136 PolarHBondContact O-N 2.78Å; S133-G136 WeakPolarHBondContact OG-CA 3.38Å; S133-G136 PolarHBondContact OG-N 2.96Å; G136-R167 VanDerWaalsContact O-CD 3.25Å; G136-R167 WeakPolarHBondContact O-CD 3.29Å; G136-R167 PolarHBondContact O-NE 3.04Å
137V98.1Very high98.1Very high0 Ų07.2 Ų7.20%04%0.036CC..SBendtrans-113.4-89.8-175.8-172.90000109.5Y14 H135 R139 A140 G141 R167 H169 K170Y14-V137 HydrophobicContact CD1-CG2 3.64Å; Y14-V137 HydrophobicContact CE1-CG2 3.76Å; H135-V137 VanDerWaalsContact C-N 3.28Å; H135-V137 HydrophobicContact CB-CG2 4.46Å; H135-V137 PolarHBondContact O-N 3.42Å; V137-R139 PolarHBondContact O-N 3.41Å; V137-A140 PolarHBondContact O-N 2.85Å; V137-G141 WeakPolarHBondContact O-CA 3.26Å; V137-G141 PolarHBondContact O-N 3.43Å; V137-R167 HydrophobicContact CG2-CG 4.43Å; V137-H169 HydrophobicContact CG1-CB 4.17Å; V137-H169 HydrophobicContact CG2-CB 3.59Å; V137-K170 WeakPolarHBondContact CG1-O 3.32Å
138N97.1Very high98.1Very high20 Ų207.4 Ų7.411%0.1074%0.037CC..Hα-helixtrans-51.3-61.8-171.5-67.7-53.2000114.3Y142 F171 E172 S173 L176N138-Y142 VanDerWaalsContact O-CB 3.28Å; N138-Y142 WeakPolarHBondContact O-CB 3.32Å; N138-Y142 PolarHBondContact O-N 3.31Å; N138-F171 WeakPolarHBondContact O-CE1 3.26Å; N138-E172 PolarHBondContact ND2-OE2 3.25Å; N138-E172 PolarHBondContact OD1-N 2.89Å; N138-S173 VanDerWaalsContact CG-OG 3.31Å; N138-S173 PolarHBondContact OD1-N 3.5Å; N138-S173 PolarHBondContact OD1-OG 3.46Å; N138-L176 HydrophobicContact CB-CD1 3.95Å
139R97.5Very high98Very high23 Ų237.3 Ų7.39%0.0874%0.037CC..Hα-helixtrans-71.6-42.2-177.4-65-68.8170.6165.1-12112.9I70 P95 S98 P100 V137 Y142 F143 Y175I70-R139 HydrophobicContact CG2-CB 3.72Å; P95-R139 PolarHBondContact O-NH1 3.12Å; P95-R139 VanDerWaalsContact O-NH1 3.07Å; P95-R139 PolarHBondContact O-NH2 2.97Å; S98-R139 PolarHBondContact O-NH1 3.31Å; S98-R139 PolarHBondContact O-NH2 3.07Å; P100-R139 VanDerWaalsContact CD-NH1 3.31Å; P100-R139 VanDerWaalsContact CG-NH1 3.27Å; V137-R139 PolarHBondContact O-N 3.41Å; R139-Y142 PolarHBondContact O-N 3.49Å; R139-F143 VanDerWaalsContact O-CD2 3.28Å; R139-F143 WeakPolarHBondContact O-CD2 3.15Å; R139-F143 PolarHBondContact O-N 3.49Å; R139-Y175 PolarHBondContact NH2-OH 2.95Å
140A98.2Very high97.9Very high0 Ų08.2 Ų8.20%04%0.041CC..Hα-helixtrans-63.8-46-179.300000110.7V131 V137 F143 I144V131-A140 HydrophobicContact CG1-CB 4.03Å; V137-A140 PolarHBondContact O-N 2.85Å; A140-F143 PolarHBondContact O-N 3.26Å; A140-I144 WeakPolarHBondContact O-CG1 3.45Å; A140-I144 PolarHBondContact O-N 2.96Å
141G98.4Very high97.7Very high0 Ų010.5 Ų10.50%05%0.05CC..Hα-helixtrans-60.3-44.4174.200000112.4V137 F143 I144 C145V137-G141 WeakPolarHBondContact O-CA 3.26Å; V137-G141 PolarHBondContact O-N 3.43Å; G141-F143 PolarHBondContact O-N 3.13Å; G141-I144 PolarHBondContact O-N 3.13Å; G141-C145 VanDerWaalsContact O-CB 3.3Å; G141-C145 WeakPolarHBondContact O-CB 3.28Å; G141-C145 PolarHBondContact O-N 2.9Å; G141-C145 PolarHBondContact O-SG 2.78Å
142Y98.6Very high97.5Very high2 Ų213.9 Ų13.91%0.0087%0.066CC..Hα-helixtrans-53.1-53.1177.5178.4-87.6000111.5V99 P100 N138 R139 C145 K146 L176 D179 V180V99-Y142 HydrophobicContact CG1-CE2 4.19Å; V99-Y142 WeakPolarHBondContact CG1-OH 3.47Å; P100-Y142 HydrophobicContact CB-CD1 4.34Å; P100-Y142 HydrophobicContact CB-CE1 3.89Å; P100-Y142 HydrophobicContact CG-CD1 3.49Å; P100-Y142 VanDerWaalsContact CG-CD1 3.49Å; P100-Y142 HydrophobicContact CG-CE1 3.41Å; P100-Y142 VanDerWaalsContact CG-CE1 3.41Å; P100-Y142 HydrophobicContact CG-CG 4.19Å; N138-Y142 VanDerWaalsContact O-CB 3.28Å; N138-Y142 WeakPolarHBondContact O-CB 3.32Å; N138-Y142 PolarHBondContact O-N 3.31Å; R139-Y142 PolarHBondContact O-N 3.49Å; Y142-C145 PolarHBondContact O-N 3.29Å; Y142-K146 HydrophobicContact CD1-CG 4.12Å; Y142-K146 HydrophobicContact CD2-CG 4.31Å; Y142-K146 HydrophobicContact CE1-CG 3.76Å; Y142-K146 HydrophobicContact CE2-CD 4.13Å; Y142-K146 HydrophobicContact CE2-CG 3.97Å; Y142-K146 HydrophobicContact CG-CG 4.4Å; Y142-K146 WeakPolarHBondContact O-CB 3.48Å; Y142-K146 WeakPolarHBondContact O-CG 3.37Å; Y142-K146 PolarHBondContact O-N 3.16Å; Y142-L176 HydrophobicContact CD2-CB 4.07Å; Y142-L176 HydrophobicContact CD2-CD2 3.71Å; Y142-L176 HydrophobicContact CD2-CG 4.38Å; Y142-L176 HydrophobicContact CE2-CD2 4.08Å; Y142-L176 HydrophobicContact CG-CD2 4.24Å; Y142-D179 HydrophobicContact CE2-CB 4.16Å; Y142-D179 WeakPolarHBondContact CE2-OD2 3.45Å; Y142-D179 PolarHBondContact OH-OD2 3.25Å; Y142-V180 HydrophobicContact CD2-CG2 3.69Å; Y142-V180 HydrophobicContact CE2-CG2 4.07Å; Y142-V180 HydrophobicContact CG-CG2 4.49Å
143F98.7Very high97.3Very high0 Ų015.3 Ų15.30%08%0.081CC..Hα-helixtrans-65.6-42.2-178.9-81.3-90.8000112.8I70 V92 T94 P100 L104 L105 F108 R139 A140 G141 Y147I70-F143 HydrophobicContact CD1-CD2 4.12Å; I70-F143 HydrophobicContact CD1-CE2 4.31Å; I70-F143 HydrophobicContact CD1-CG 4.31Å; I70-F143 HydrophobicContact CG1-CD2 4.39Å; I70-F143 HydrophobicContact CG2-CD2 3.87Å; I70-F143 HydrophobicContact CG2-CE2 3.61Å; V92-F143 HydrophobicContact CG1-CE1 4.41Å; V92-F143 HydrophobicContact CG1-CZ 4.37Å; T94-F143 HydrophobicContact CG2-CE2 3.94Å; T94-F143 HydrophobicContact CG2-CZ 4.25Å; T94-F143 WeakPolarHBondContact OG1-CE2 3.28Å; T94-F143 WeakPolarHBondContact OG1-CZ 3.44Å; P100-F143 HydrophobicContact CB-CE2 4.18Å; P100-F143 HydrophobicContact CB-CZ 4Å; P100-F143 HydrophobicContact CG-CE2 4.02Å; P100-F143 HydrophobicContact CG-CZ 4.35Å; L104-F143 HydrophobicContact CB-CE1 4.29Å; L104-F143 HydrophobicContact CB-CZ 4.01Å; L105-F143 HydrophobicContact CB-CE1 4.41Å; L105-F143 HydrophobicContact CD1-CD1 3.89Å; L105-F143 HydrophobicContact CD1-CE1 4.34Å; F108-F143 HydrophobicContact CB-CD1 3.4Å; F108-F143 HydrophobicContact CB-CE1 3.75Å; F108-F143 HydrophobicContact CB-CG 4.45Å; F108-F143 HydrophobicContact CD1-CB 4.08Å; F108-F143 HydrophobicContact CD1-CD1 4Å; F108-F143 HydrophobicContact CD2-CB 3.85Å; F108-F143 AromaticContact CD2-CD1 3.79Å; F108-F143 HydrophobicContact CD2-CD1 3.79Å; F108-F143 HydrophobicContact CD2-CG 4.06Å; F108-F143 HydrophobicContact CE1-CB 4.02Å; F108-F143 WeakPolarHBondContact CE1-O 3.47Å; F108-F143 HydrophobicContact CE2-CB 3.81Å; F108-F143 HydrophobicContact CE2-CG 4.48Å; F108-F143 HydrophobicContact CG-CB 4.01Å; F108-F143 AromaticContact CG-CD1 3.46Å; F108-F143 HydrophobicContact CG-CD1 3.46Å; F108-F143 VanDerWaalsContact CG-CD1 3.46Å; F108-F143 HydrophobicContact CG-CE1 4.29Å; F108-F143 HydrophobicContact CG-CG 4.11Å; F108-F143 HydrophobicContact CZ-CB 3.89Å; R139-F143 VanDerWaalsContact O-CD2 3.28Å; R139-F143 WeakPolarHBondContact O-CD2 3.15Å; R139-F143 PolarHBondContact O-N 3.49Å; A140-F143 PolarHBondContact O-N 3.26Å; G141-F143 PolarHBondContact O-N 3.13Å; F143-Y147 WeakPolarHBondContact O-CB 3.44Å; F143-Y147 PolarHBondContact O-N 3.05Å
144I98.7Very high97.3Very high0 Ų017.4 Ų17.40%09%0.088CC..Hα-helixtrans-61.5-52.3177.2-71.1166.7000110.2I21 F26 A28 F108 V131 A140 G141 Y147 L148 F163I21-I144 HydrophobicContact CD1-CG2 3.91Å; F26-I144 HydrophobicContact CB-CD1 4.2Å; F26-I144 HydrophobicContact CB-CG1 4.4Å; F26-I144 HydrophobicContact CB-CG2 4.39Å; F26-I144 HydrophobicContact CD1-CD1 4.48Å; F26-I144 HydrophobicContact CD1-CG1 4.05Å; F26-I144 HydrophobicContact CD2-CG2 4.13Å; F26-I144 HydrophobicContact CE1-CG1 4.45Å; F26-I144 HydrophobicContact CG-CD1 4.46Å; F26-I144 HydrophobicContact CG-CG1 4.14Å; F26-I144 HydrophobicContact CG-CG2 4.26Å; A28-I144 HydrophobicContact CB-CD1 4.06Å; F108-I144 HydrophobicContact CZ-CG1 4.39Å; V131-I144 HydrophobicContact CB-CD1 3.98Å; V131-I144 HydrophobicContact CB-CG1 4.33Å; V131-I144 HydrophobicContact CG2-CD1 4.06Å; V131-I144 HydrophobicContact CG2-CG1 4.04Å; A140-I144 WeakPolarHBondContact O-CG1 3.45Å; A140-I144 PolarHBondContact O-N 2.96Å; G141-I144 PolarHBondContact O-N 3.13Å; I144-Y147 WeakPolarHBondContact O-CB 3.26Å; I144-Y147 PolarHBondContact O-N 3.46Å; I144-L148 HydrophobicContact CG2-CD1 3.75Å; I144-L148 HydrophobicContact CG2-CG 4.24Å; I144-L148 WeakPolarHBondContact O-CG 3.37Å; I144-L148 PolarHBondContact O-N 3.45Å; I144-F163 HydrophobicContact CB-CD2 4.45Å; I144-F163 HydrophobicContact CD1-CD2 4.24Å; I144-F163 HydrophobicContact CD1-CE2 3.98Å; I144-F163 HydrophobicContact CG2-CD2 4.37Å
145C98.5Very high97.3Very high0 Ų021.2 Ų21.20%010%0.103CC..Hα-helixtrans-63.3-46.7-177.7-65.50000111.6G141 Y142 Y147 L148 I149 A159 V180G141-C145 VanDerWaalsContact O-CB 3.3Å; G141-C145 WeakPolarHBondContact O-CB 3.28Å; G141-C145 PolarHBondContact O-N 2.9Å; G141-C145 PolarHBondContact O-SG 2.78Å; Y142-C145 PolarHBondContact O-N 3.29Å; C145-Y147 PolarHBondContact O-N 3.29Å; C145-L148 PolarHBondContact O-N 2.71Å; C145-L148 VanDerWaalsContact O-N 3.17Å; C145-I149 HydrophobicContact CB-CD1 4.47Å; C145-I149 WeakPolarHBondContact O-CD1 3.14Å; C145-I149 WeakPolarHBondContact O-CG1 3.28Å; C145-I149 PolarHBondContact O-N 3.29Å; C145-A159 HydrophobicContact CB-CB 4.18Å; C145-A159 PolarHBondContact SG-O 2.53Å; C145-V180 HydrophobicContact CB-CG1 3.67Å; C145-V180 HydrophobicContact CB-CG2 4.35Å
146K97.7Very high97.3Very high19 Ų1919.4 Ų19.48%0.08310%0.096CC..Hα-helixtrans-59-36.8176.5-66.2-66.7-75.1-156.60111.8L105 Y142 N150 D179 V180 S183L105-K146 HydrophobicContact CD1-CB 3.92Å; L105-K146 HydrophobicContact CD2-CB 4.24Å; Y142-K146 HydrophobicContact CD1-CG 4.12Å; Y142-K146 HydrophobicContact CD2-CG 4.31Å; Y142-K146 HydrophobicContact CE1-CG 3.76Å; Y142-K146 HydrophobicContact CE2-CD 4.13Å; Y142-K146 HydrophobicContact CE2-CG 3.97Å; Y142-K146 HydrophobicContact CG-CG 4.4Å; Y142-K146 WeakPolarHBondContact O-CB 3.48Å; Y142-K146 WeakPolarHBondContact O-CG 3.37Å; Y142-K146 PolarHBondContact O-N 3.16Å; K146-N150 VanDerWaalsContact O-CB 3.24Å; K146-N150 WeakPolarHBondContact O-CB 3.45Å; K146-N150 VanDerWaalsContact O-CG 3.27Å; K146-N150 PolarHBondContact O-N 3.31Å; K146-N150 PolarHBondContact O-ND2 2.71Å; K146-D179 PolarHBondContact NZ-O 3.43Å; K146-D179 IonicContact NZ-OD2 3.67Å; K146-D179 PolarHBondContact NZ-OD2 3.18Å; K146-V180 HydrophobicContact CD-CG2 4.04Å; K146-V180 HydrophobicContact CG-CG2 4.22Å; K146-S183 WeakPolarHBondContact CD-OG 3.34Å; K146-S183 WeakPolarHBondContact CE-OG 3.42Å; K146-S183 PolarHBondContact NZ-OG 3.06Å
147Y97.8Very high97.2Very high4 Ų424.9 Ų24.92%0.01612%0.121CC..Hα-helixtrans-65.7-51.9173.8176.4-86.7000111.9F26 F108 V109 V112 K116 F143 I144 C145 I149 N150 Y151 E152F26-Y147 AromaticContact CE2-CD1 3.6Å; F26-Y147 HydrophobicContact CE2-CD1 3.6Å; F26-Y147 AromaticContact CE2-CE1 3.94Å; F26-Y147 HydrophobicContact CE2-CE1 3.94Å; F26-Y147 HydrophobicContact CE2-CG 4.46Å; F26-Y147 AromaticContact CZ-CD1 3.74Å; F26-Y147 HydrophobicContact CZ-CD1 3.74Å; F26-Y147 HydrophobicContact CZ-CE1 4.11Å; F26-Y147 HydrophobicContact CZ-CG 4.22Å; F108-Y147 HydrophobicContact CE1-CG 4.34Å; V109-Y147 HydrophobicContact CG1-CD2 4.5Å; V109-Y147 HydrophobicContact CG1-CE2 4.47Å; V109-Y147 HydrophobicContact CG2-CD2 4.12Å; V112-Y147 HydrophobicContact CB-CD2 4.14Å; V112-Y147 HydrophobicContact CB-CE2 3.77Å; V112-Y147 HydrophobicContact CG1-CD1 4.35Å; V112-Y147 HydrophobicContact CG1-CD2 4Å; V112-Y147 HydrophobicContact CG1-CE1 3.78Å; V112-Y147 HydrophobicContact CG1-CE2 3.35Å; V112-Y147 HydrophobicContact CG1-CG 4.47Å; V112-Y147 WeakPolarHBondContact CG1-OH 3.4Å; V112-Y147 HydrophobicContact CG2-CD2 4.43Å; K116-Y147 WeakPolarHBondContact CD-OH 3.46Å; F143-Y147 WeakPolarHBondContact O-CB 3.44Å; F143-Y147 PolarHBondContact O-N 3.05Å; I144-Y147 WeakPolarHBondContact O-CB 3.26Å; I144-Y147 PolarHBondContact O-N 3.46Å; C145-Y147 PolarHBondContact O-N 3.29Å; Y147-I149 VanDerWaalsContact C-N 3.27Å; Y147-I149 PolarHBondContact O-N 3.33Å; Y147-N150 PolarHBondContact O-N 3.13Å; Y147-Y151 HydrophobicContact CD2-CD2 4.02Å; Y147-Y151 HydrophobicContact CD2-CG 4.3Å; Y147-Y151 HydrophobicContact CE2-CD2 4.46Å; Y147-Y151 HydrophobicContact CE2-CG 4.28Å; Y147-Y151 WeakPolarHBondContact O-CB 3.25Å; Y147-Y151 PolarHBondContact O-N 3.11Å; Y147-E152 HydrophobicContact CD1-CG 4.15Å; Y147-E152 HydrophobicContact CE1-CG 3.51Å; Y147-E152 WeakPolarHBondContact CE1-OE1 3.08Å; Y147-E152 PolarHBondContact OH-OE1 3.34Å
148L97.8Very high97.2Very high3 Ų327.3 Ų27.32%0.01613%0.132CC..Hα-helixtrans-59.7-38.1-177.8-68.2175.7000112.1T24 F26 I144 C145 E152 G153 W154 A159T24-L148 HydrophobicContact CG2-CD1 4.47Å; T24-L148 HydrophobicContact CG2-CD2 3.74Å; F26-L148 HydrophobicContact CD2-CD2 4.27Å; F26-L148 HydrophobicContact CE2-CD2 4.15Å; I144-L148 HydrophobicContact CG2-CD1 3.75Å; I144-L148 HydrophobicContact CG2-CG 4.24Å; I144-L148 WeakPolarHBondContact O-CG 3.37Å; I144-L148 PolarHBondContact O-N 3.45Å; C145-L148 PolarHBondContact O-N 2.71Å; C145-L148 VanDerWaalsContact O-N 3.17Å; L148-E152 HydrophobicContact CD2-CG 4.19Å; L148-E152 CarbonylContact O-C 3.53Å; L148-E152 VanDerWaalsContact O-C 3.27Å; L148-E152 WeakPolarHBondContact O-CA 3.42Å; L148-E152 WeakPolarHBondContact O-CB 3.28Å; L148-E152 PolarHBondContact O-N 2.93Å; L148-G153 PolarHBondContact O-N 2.8Å; L148-W154 HydrophobicContact CB-CB 4.22Å; L148-W154 HydrophobicContact CB-CD2 4.18Å; L148-W154 HydrophobicContact CB-CG 4.02Å; L148-W154 HydrophobicContact CD1-CD2 4.4Å; L148-W154 HydrophobicContact CD1-CE3 4.16Å; L148-W154 HydrophobicContact CD1-CZ3 4.23Å; L148-W154 PolarHBondContact O-N 3.31Å; L148-A159 HydrophobicContact CB-CB 4.47Å
149I97.2Very high97.3Very high0 Ų026.3 Ų26.30%013%0.127CC..Hα-helixtrans-71.4-58.7178.1-61.3158.7000110.2C145 Y147 Y151 G153 W154 A156 A159 V180 P185C145-I149 HydrophobicContact CB-CD1 4.47Å; C145-I149 WeakPolarHBondContact O-CD1 3.14Å; C145-I149 WeakPolarHBondContact O-CG1 3.28Å; C145-I149 PolarHBondContact O-N 3.29Å; Y147-I149 VanDerWaalsContact C-N 3.27Å; Y147-I149 PolarHBondContact O-N 3.33Å; I149-Y151 PolarHBondContact O-N 2.71Å; I149-G153 WeakPolarHBondContact O-CA 3.44Å; I149-G153 PolarHBondContact O-N 2.75Å; I149-W154 WeakPolarHBondContact CA-O 2.99Å; I149-A156 HydrophobicContact CD1-CB 3.78Å; I149-A156 HydrophobicContact CG1-CB 4.42Å; I149-A159 HydrophobicContact CD1-CB 4.07Å; I149-A159 HydrophobicContact CG1-CB 3.78Å; I149-V180 HydrophobicContact CD1-CG1 3.58Å; I149-P185 HydrophobicContact CG2-CB 4.06Å; I149-P185 HydrophobicContact CG2-CG 4.47Å
150N95.4Very high97.3Very high18 Ų1825.9 Ų25.910%0.09613%0.127CC..Hα-helixtrans-77.2-20.7-167-62.2-13000113.7K146 Y147 L188 L189K146-N150 VanDerWaalsContact O-CB 3.24Å; K146-N150 WeakPolarHBondContact O-CB 3.45Å; K146-N150 VanDerWaalsContact O-CG 3.27Å; K146-N150 PolarHBondContact O-N 3.31Å; K146-N150 PolarHBondContact O-ND2 2.71Å; Y147-N150 PolarHBondContact O-N 3.13Å; N150-L188 WeakPolarHBondContact O-CA 3.11Å; N150-L189 HydrophobicContact CB-CD1 3.89Å; N150-L189 HydrophobicContact CB-CG 4.16Å; N150-L189 PolarHBondContact O-N 3.03Å
151Y94.4Very high97.3Very high49 Ų4932 Ų3219%0.19215%0.15CC..Hα-helixtrans-124.5-19-174-60.7-88.4000114.4V109 Y147 I149 L189V109-Y151 HydrophobicContact CB-CE2 4.3Å; V109-Y151 HydrophobicContact CG1-CD1 4.11Å; V109-Y151 HydrophobicContact CG1-CD2 4.33Å; V109-Y151 HydrophobicContact CG1-CE1 3.65Å; V109-Y151 HydrophobicContact CG1-CE2 3.92Å; V109-Y151 HydrophobicContact CG1-CG 4.41Å; V109-Y151 HydrophobicContact CG2-CD2 4.02Å; V109-Y151 HydrophobicContact CG2-CE2 3.36Å; Y147-Y151 HydrophobicContact CD2-CD2 4.02Å; Y147-Y151 HydrophobicContact CD2-CG 4.3Å; Y147-Y151 HydrophobicContact CE2-CD2 4.46Å; Y147-Y151 HydrophobicContact CE2-CG 4.28Å; Y147-Y151 WeakPolarHBondContact O-CB 3.25Å; Y147-Y151 PolarHBondContact O-N 3.11Å; I149-Y151 PolarHBondContact O-N 2.71Å; Y151-L189 HydrophobicContact CD1-CB 4.29Å; Y151-L189 WeakPolarHBondContact CD1-O 3.38Å; Y151-L189 HydrophobicContact CE1-CB 3.7Å; Y151-L189 WeakPolarHBondContact CE1-O 3.23Å; Y151-L189 HydrophobicContact CE2-CD1 4.18Å
152E94.7Very high97.3Very high70 Ų7035.2 Ų35.233%0.32716%0.162SC..Hα-helixtrans-115.5-0.9175.5-49.8-70.6157.700112.7K116 Y147 L148 W154K116-E152 VanDerWaalsContact NZ-CD 3.3Å; K116-E152 IonicContact NZ-OE1 3.81Å; K116-E152 PolarHBondContact NZ-OE1 3.23Å; K116-E152 IonicContact NZ-OE2 3.01Å; K116-E152 PolarHBondContact NZ-OE2 2.84Å; K116-E152 VanDerWaalsContact NZ-OE2 3.09Å; Y147-E152 HydrophobicContact CD1-CG 4.15Å; Y147-E152 HydrophobicContact CE1-CG 3.51Å; Y147-E152 WeakPolarHBondContact CE1-OE1 3.08Å; Y147-E152 PolarHBondContact OH-OE1 3.34Å; L148-E152 HydrophobicContact CD2-CG 4.19Å; L148-E152 CarbonylContact O-C 3.53Å; L148-E152 VanDerWaalsContact O-C 3.27Å; L148-E152 WeakPolarHBondContact O-CA 3.42Å; L148-E152 WeakPolarHBondContact O-CB 3.28Å; L148-E152 PolarHBondContact O-N 2.93Å; E152-W154 PolarHBondContact O-N 3.37Å
153G95.2Very high97.3Very high31 Ų3135.2 Ų35.232%0.3216%0.162SC..  trans74.821.8172.600000115.3L148 I149L148-G153 PolarHBondContact O-N 2.8Å; I149-G153 WeakPolarHBondContact O-CA 3.44Å; I149-G153 PolarHBondContact O-N 2.75Å
154W97.5Very high97.3Very high50 Ų5037.2 Ų37.219%0.18917%0.171CC..  trans-71.8145.4176.2-71.240.6000110.5I21 T24 L148 I149 E152 E158 A159 R162 P185I21-W154 HydrophobicContact CG2-CH2 3.92Å; I21-W154 HydrophobicContact CG2-CZ3 4.26Å; T24-W154 HydrophobicContact CG2-CH2 3.96Å; T24-W154 HydrophobicContact CG2-CZ2 3.74Å; L148-W154 HydrophobicContact CB-CB 4.22Å; L148-W154 HydrophobicContact CB-CD2 4.18Å; L148-W154 HydrophobicContact CB-CG 4.02Å; L148-W154 HydrophobicContact CD1-CD2 4.4Å; L148-W154 HydrophobicContact CD1-CE3 4.16Å; L148-W154 HydrophobicContact CD1-CZ3 4.23Å; L148-W154 PolarHBondContact O-N 3.31Å; I149-W154 WeakPolarHBondContact CA-O 2.99Å; E152-W154 PolarHBondContact O-N 3.37Å; W154-E158 HydrophobicContact CE3-CG 4.04Å; W154-E158 HydrophobicContact CZ3-CG 4.44Å; W154-A159 HydrophobicContact CB-CB 4.32Å; W154-A159 HydrophobicContact CE3-CB 4.38Å; W154-R162 HydrophobicContact CZ3-CB 3.89Å; W154-R162 HydrophobicContact CZ3-CG 3.85Å; W154-P185 WeakPolarHBondContact O-CB 3.48Å
155Q96.6Very high97.3Very high114 Ų11442.6 Ų42.653%0.53320%0.196SC..  trans-67.6145.7168-60.6-57.8-51.900109.9E157 E158 A159Q155-E157 PolarHBondContact O-N 3.42Å; Q155-E158 HydrophobicContact CB-CB 4.16Å; Q155-E158 WeakPolarHBondContact O-CB 3.46Å; Q155-E158 PolarHBondContact O-N 2.87Å; Q155-E158 VanDerWaalsContact O-N 3.17Å; Q155-A159 PolarHBondContact O-N 3.46Å
156A97.1Very high97.3Very high4 Ų444.7 Ų44.73%0.03321%0.205CC..Hα-helixtrans-63.2-42.9-171.800000112.6I149 E158 A159 I160 L181I149-A156 HydrophobicContact CD1-CB 3.78Å; I149-A156 HydrophobicContact CG1-CB 4.42Å; A156-E158 VanDerWaalsContact C-N 3.34Å; A156-E158 PolarHBondContact O-N 3.21Å; A156-A159 PolarHBondContact O-N 3.17Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 2.95Å; A156-L181 HydrophobicContact CB-CD2 4.23Å
157E97Very high97.3Very high116 Ų11644 Ų4454%0.54220%0.202SC..Hα-helixtrans-64.1-38.9176-62.878.1-175.400111.6Q155 R161 L181Q155-E157 PolarHBondContact O-N 3.42Å; E157-R161 WeakPolarHBondContact O-CB 3.42Å; E157-R161 PolarHBondContact O-N 2.85Å; E157-L181 HydrophobicContact CG-CD2 3.86Å
158E97.4Very high97.4Very high50 Ų5046.5 Ų46.523%0.23423%0.228CC..Hα-helixtrans-63.9-47.2175.4-179.266.6-156.900110.8W154 Q155 A156 I160 R161 R162W154-E158 HydrophobicContact CE3-CG 4.04Å; W154-E158 HydrophobicContact CZ3-CG 4.44Å; Q155-E158 HydrophobicContact CB-CB 4.16Å; Q155-E158 WeakPolarHBondContact O-CB 3.46Å; Q155-E158 PolarHBondContact O-N 2.87Å; Q155-E158 VanDerWaalsContact O-N 3.17Å; A156-E158 VanDerWaalsContact C-N 3.34Å; A156-E158 PolarHBondContact O-N 3.21Å; E158-I160 PolarHBondContact O-N 3.37Å; E158-R161 PolarHBondContact O-N 2.85Å; E158-R161 IonicContact OE1-CZ 2.66Å; E158-R161 IonicContact OE1-NH2 2.82Å; E158-R161 PolarHBondContact OE1-NH2 3.48Å; E158-R161 IonicContact OE2-CZ 2.69Å; E158-R161 IonicContact OE2-NH1 3.78Å; E158-R161 PolarHBondContact OE2-NH1 3Å; E158-R161 IonicContact OE2-NH2 3.13Å; E158-R161 PolarHBondContact OE2-NH2 3.17Å; E158-R162 HydrophobicContact CG-CG 4.21Å; E158-R162 VanDerWaalsContact O-CB 3.28Å; E158-R162 WeakPolarHBondContact O-CB 3.45Å; E158-R162 WeakPolarHBondContact O-CG 3.31Å; E158-R162 PolarHBondContact O-N 3.37Å; E158-R162 WeakPolarHBondContact OE1-CD 3.18Å; E158-R162 WeakPolarHBondContact OE1-CG 3.5Å; E158-R162 IonicContact OE1-CZ 2.65Å; E158-R162 IonicContact OE1-NE 3.72Å; E158-R162 PolarHBondContact OE1-NE 3.04Å; E158-R162 IonicContact OE1-NH2 2.87Å
159A98.2Very high97.4Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-60.3-46.5-179.700000111.4C145 L148 I149 W154 Q155 A156 F163C145-A159 HydrophobicContact CB-CB 4.18Å; C145-A159 PolarHBondContact SG-O 2.53Å; L148-A159 HydrophobicContact CB-CB 4.47Å; I149-A159 HydrophobicContact CD1-CB 4.07Å; I149-A159 HydrophobicContact CG1-CB 3.78Å; W154-A159 HydrophobicContact CB-CB 4.32Å; W154-A159 HydrophobicContact CE3-CB 4.38Å; Q155-A159 PolarHBondContact O-N 3.46Å; A156-A159 PolarHBondContact O-N 3.17Å; A159-F163 VanDerWaalsContact O-CB 3.27Å; A159-F163 WeakPolarHBondContact O-CB 3.5Å; A159-F163 PolarHBondContact O-N 3.44Å
160I98.4Very high97.4Very high14 Ų1455.7 Ų55.77%0.07227%0.269CS..Hα-helixtrans-62.6-52.6175.5-68.9163.9000110.4A156 E158 R162 F163 E164 F171 T177 V180 L181A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 2.95Å; E158-I160 PolarHBondContact O-N 3.37Å; I160-R162 VanDerWaalsContact C-N 3.31Å; I160-R162 PolarHBondContact O-N 3Å; I160-F163 PolarHBondContact O-N 3.13Å; I160-F163 VanDerWaalsContact O-N 3.12Å; I160-E164 HydrophobicContact CG2-CG 4.22Å; I160-E164 WeakPolarHBondContact O-CG 3.5Å; I160-E164 PolarHBondContact O-N 2.99Å; I160-F171 HydrophobicContact CG2-CD2 4.24Å; I160-F171 HydrophobicContact CG2-CE2 4.5Å; I160-T177 HydrophobicContact CD1-CG2 4.05Å; I160-V180 HydrophobicContact CD1-CB 4.1Å; I160-V180 HydrophobicContact CD1-CG1 3.66Å; I160-V180 HydrophobicContact CG1-CB 4.45Å; I160-V180 HydrophobicContact CG1-CG1 3.67Å; I160-L181 HydrophobicContact CD1-CD1 4.48Å; I160-L181 HydrophobicContact CD1-CD2 3.62Å; I160-L181 HydrophobicContact CD1-CG 3.66Å
161R98.3Very high97.3Very high128 Ų12855.8 Ų55.848%0.48327%0.268SS..Hα-helixtrans-57.1-46.1-176.3-169.4-17678.6-115.7-0.8111.6E157 E158 E164 E165E157-R161 WeakPolarHBondContact O-CB 3.42Å; E157-R161 PolarHBondContact O-N 2.85Å; E158-R161 PolarHBondContact O-N 2.85Å; E158-R161 IonicContact OE1-CZ 2.66Å; E158-R161 IonicContact OE1-NH2 2.82Å; E158-R161 PolarHBondContact OE1-NH2 3.48Å; E158-R161 IonicContact OE2-CZ 2.69Å; E158-R161 IonicContact OE2-NH1 3.78Å; E158-R161 PolarHBondContact OE2-NH1 3Å; E158-R161 IonicContact OE2-NH2 3.13Å; E158-R161 PolarHBondContact OE2-NH2 3.17Å; R161-E164 PolarHBondContact O-N 3.24Å; R161-E165 VanDerWaalsContact O-CB 3.29Å; R161-E165 WeakPolarHBondContact O-CB 3.22Å; R161-E165 PolarHBondContact O-N 2.91Å
162R98.6Very high97.3Very high68 Ų6858.4 Ų58.426%0.25728%0.282SS..Hα-helixtrans-67.2-41.5177.7-69.7-72.1-154.4148.912111.7I21 W154 E158 I160 E164 Y166I21-R162 HydrophobicContact CG2-CB 4.18Å; W154-R162 HydrophobicContact CZ3-CB 3.89Å; W154-R162 HydrophobicContact CZ3-CG 3.85Å; E158-R162 HydrophobicContact CG-CG 4.21Å; E158-R162 VanDerWaalsContact O-CB 3.28Å; E158-R162 WeakPolarHBondContact O-CB 3.45Å; E158-R162 WeakPolarHBondContact O-CG 3.31Å; E158-R162 PolarHBondContact O-N 3.37Å; E158-R162 WeakPolarHBondContact OE1-CD 3.18Å; E158-R162 WeakPolarHBondContact OE1-CG 3.5Å; E158-R162 IonicContact OE1-CZ 2.65Å; E158-R162 IonicContact OE1-NE 3.72Å; E158-R162 PolarHBondContact OE1-NE 3.04Å; E158-R162 IonicContact OE1-NH2 2.87Å; I160-R162 VanDerWaalsContact C-N 3.31Å; I160-R162 PolarHBondContact O-N 3Å; R162-E164 PolarHBondContact O-N 3.15Å; R162-Y166 VanDerWaalsContact O-CD2 3.27Å; R162-Y166 WeakPolarHBondContact O-CD2 3.33Å; R162-Y166 PolarHBondContact O-N 3.07Å
163F98.7Very high97.3Very high1 Ų156.3 Ų56.30%0.00428%0.275CS..Hα-helixtrans-58.1-50.6174.8173.4-93.7000111.1I21 A28 I144 A159 I160 E165 Y166 R167 F171I21-F163 HydrophobicContact CD1-CB 4.45Å; I21-F163 HydrophobicContact CD1-CD2 4.26Å; A28-F163 HydrophobicContact CB-CE2 3.62Å; A28-F163 HydrophobicContact CB-CZ 4.16Å; I144-F163 HydrophobicContact CB-CD2 4.45Å; I144-F163 HydrophobicContact CD1-CD2 4.24Å; I144-F163 HydrophobicContact CD1-CE2 3.98Å; I144-F163 HydrophobicContact CG2-CD2 4.37Å; A159-F163 VanDerWaalsContact O-CB 3.27Å; A159-F163 WeakPolarHBondContact O-CB 3.5Å; A159-F163 PolarHBondContact O-N 3.44Å; I160-F163 PolarHBondContact O-N 3.13Å; I160-F163 VanDerWaalsContact O-N 3.12Å; F163-E165 PolarHBondContact O-N 2.89Å; F163-Y166 PolarHBondContact O-N 2.79Å; F163-R167 HydrophobicContact CE1-CB 4.14Å; F163-R167 HydrophobicContact CE1-CG 4.24Å; F163-R167 HydrophobicContact CE2-CB 4.36Å; F163-R167 HydrophobicContact CZ-CB 4.04Å; F163-R167 HydrophobicContact CZ-CG 4Å; F163-R167 WeakPolarHBondContact O-CB 3.46Å; F163-R167 PolarHBondContact O-N 2.82Å; F163-F171 HydrophobicContact CD1-CD2 4Å; F163-F171 AromaticContact CD1-CE2 3.45Å; F163-F171 HydrophobicContact CD1-CE2 3.45Å; F163-F171 VanDerWaalsContact CD1-CE2 3.45Å; F163-F171 HydrophobicContact CD1-CZ 4.3Å; F163-F171 HydrophobicContact CE1-CD2 4.27Å; F163-F171 AromaticContact CE1-CE2 3.85Å; F163-F171 HydrophobicContact CE1-CE2 3.85Å; F163-F171 HydrophobicContact CE1-CZ 4.44Å; F163-F171 HydrophobicContact CG-CE2 4.27Å
164E98.6Very high97.2Very high43 Ų4362 Ų6220%0.20129%0.294CS..Hα-helixtrans-63.5-42.7-178.4-65.4-173.2156.400112.4I160 R161 R162 G168 H169 K170 F171I160-E164 HydrophobicContact CG2-CG 4.22Å; I160-E164 WeakPolarHBondContact O-CG 3.5Å; I160-E164 PolarHBondContact O-N 2.99Å; R161-E164 PolarHBondContact O-N 3.24Å; R162-E164 PolarHBondContact O-N 3.15Å; E164-G168 WeakPolarHBondContact O-CA 3.48Å; E164-G168 PolarHBondContact O-N 2.83Å; E164-H169 WeakPolarHBondContact CA-O 3.25Å; E164-H169 PolarHBondContact O-N 3.19Å; E164-K170 WeakPolarHBondContact OE1-CA 3.38Å; E164-F171 HydrophobicContact CG-CD2 4.12Å; E164-F171 PolarHBondContact OE1-N 3.08Å
165E98.5Very high97.2Very high113 Ų11363.4 Ų63.453%0.52830%0.299SS..Hα-helixtrans-57.7-53.8177.2-179.5-178.7-169.700111.5R161 F163 G168R161-E165 VanDerWaalsContact O-CB 3.29Å; R161-E165 WeakPolarHBondContact O-CB 3.22Å; R161-E165 PolarHBondContact O-N 2.91Å; F163-E165 PolarHBondContact O-N 2.89Å; E165-G168 PolarHBondContact O-N 2.86Å
166Y98.5Very high97.2Very high44 Ų4458 Ų5817%0.17327%0.274CS..Hα-helixtrans-81.7-22.3-175.9-71.3-84.4000112.7G18 Q19 I21 P22 R162 F163G18-Y166 CarbonylContact C-O 3.55Å; G18-Y166 VanDerWaalsContact CA-O 3.28Å; G18-Y166 WeakPolarHBondContact CA-O 3.42Å; Q19-Y166 HydrophobicContact CB-CD1 3.82Å; Q19-Y166 PolarHBondContact N-O 2.74Å; I21-Y166 HydrophobicContact CG2-CD2 4.49Å; P22-Y166 VanDerWaalsContact CD-CE1 3.42Å; P22-Y166 HydrophobicContact CG-CD1 4.36Å; P22-Y166 HydrophobicContact CG-CE1 3.57Å; P22-Y166 HydrophobicContact CG-CE2 3.82Å; P22-Y166 VanDerWaalsContact CG-OH 3.25Å; P22-Y166 WeakPolarHBondContact CG-OH 3.35Å; R162-Y166 VanDerWaalsContact O-CD2 3.27Å; R162-Y166 WeakPolarHBondContact O-CD2 3.33Å; R162-Y166 PolarHBondContact O-N 3.07Å; F163-Y166 PolarHBondContact O-N 2.79Å
167R98.4Very high97.2Very high5 Ų559.3 Ų59.32%0.01928%0.282CS..Hα-helixtrans-73.6-31.4168.6178.558.6-169.297.8-4.4111.6T15 H135 G136 V137 F163 H169T15-R167 PolarHBondContact O-NH1 2.8Å; T15-R167 PolarHBondContact O-NH2 3.24Å; T15-R167 PolarHBondContact OG1-NH1 2.9Å; H135-R167 PolarHBondContact O-NH2 3.02Å; G136-R167 VanDerWaalsContact O-CD 3.25Å; G136-R167 WeakPolarHBondContact O-CD 3.29Å; G136-R167 PolarHBondContact O-NE 3.04Å; V137-R167 HydrophobicContact CG2-CG 4.43Å; F163-R167 HydrophobicContact CE1-CB 4.14Å; F163-R167 HydrophobicContact CE1-CG 4.24Å; F163-R167 HydrophobicContact CE2-CB 4.36Å; F163-R167 HydrophobicContact CZ-CB 4.04Å; F163-R167 HydrophobicContact CZ-CG 4Å; F163-R167 WeakPolarHBondContact O-CB 3.46Å; F163-R167 PolarHBondContact O-N 2.82Å; R167-H169 VanDerWaalsContact C-N 3.31Å; R167-H169 HydrophobicContact CG-CB 4.16Å; R167-H169 PolarHBondContact NH1-CD2 3.47Å
168G98.1Very high97.2Very high56 Ų5659.7 Ų59.758%0.57728%0.284SS*.THydrogen-bonded Turntrans77.113.9-17300000114.1E164 E165E164-G168 WeakPolarHBondContact O-CA 3.48Å; E164-G168 PolarHBondContact O-N 2.83Å; E165-G168 PolarHBondContact O-N 2.86Å
169H98.4Very high97.2Very high39 Ų3959.2 Ų59.218%0.18128%0.283CS..SBendtrans-142.8144.2179.8-66.9-91.3000109.7Y14 T15 V137 E164 R167Y14-H169 AromaticContact CD1-CE1 3.97Å; Y14-H169 AromaticContact CD1-ND1 3.65Å; T15-H169 PolarHBondContact N-NE2 3.4Å; T15-H169 PolarHBondContact OG1-CD2 3.07Å; T15-H169 PolarHBondContact OG1-NE2 3.21Å; V137-H169 HydrophobicContact CG1-CB 4.17Å; V137-H169 HydrophobicContact CG2-CB 3.59Å; E164-H169 WeakPolarHBondContact CA-O 3.25Å; E164-H169 PolarHBondContact O-N 3.19Å; R167-H169 VanDerWaalsContact C-N 3.31Å; R167-H169 HydrophobicContact CG-CB 4.16Å; R167-H169 PolarHBondContact NH1-CD2 3.47Å
170K97.7Very high97.2Very high157 Ų15759.2 Ų59.268%0.68328%0.283SS*.  trans-86.6150.9178.6-63.4-171.5177.1-1770111.7V137 E164 E172V137-K170 WeakPolarHBondContact CG1-O 3.32Å; E164-K170 WeakPolarHBondContact OE1-CA 3.38Å; K170-E172 PolarHBondContact O-N 3.24Å
171F94Very high97.1Very high19 Ų1962.1 Ų62.18%0.08330%0.298CS..  trans-55.6137.1164.2-86.4-99000110.2N138 I160 F163 E164 T177N138-F171 WeakPolarHBondContact O-CE1 3.26Å; I160-F171 HydrophobicContact CG2-CD2 4.24Å; I160-F171 HydrophobicContact CG2-CE2 4.5Å; F163-F171 HydrophobicContact CD1-CD2 4Å; F163-F171 AromaticContact CD1-CE2 3.45Å; F163-F171 HydrophobicContact CD1-CE2 3.45Å; F163-F171 VanDerWaalsContact CD1-CE2 3.45Å; F163-F171 HydrophobicContact CD1-CZ 4.3Å; F163-F171 HydrophobicContact CE1-CD2 4.27Å; F163-F171 AromaticContact CE1-CE2 3.85Å; F163-F171 HydrophobicContact CE1-CE2 3.85Å; F163-F171 HydrophobicContact CE1-CZ 4.44Å; F163-F171 HydrophobicContact CG-CE2 4.27Å; E164-F171 HydrophobicContact CG-CD2 4.12Å; E164-F171 PolarHBondContact OE1-N 3.08Å; F171-T177 WeakPolarHBondContact CB-OG1 3.45Å
172E93.5Very high97Very high104 Ų10460.2 Ų60.249%0.48630%0.304SS..  trans-108.7-27.5178.6-59.2158.8172.900110.9Y14 N138 K170 Q174Y14-E172 VanDerWaalsContact CE1-OE1 3.28Å; Y14-E172 WeakPolarHBondContact CE1-OE1 3.37Å; Y14-E172 VanDerWaalsContact CZ-OE1 3.28Å; Y14-E172 PolarHBondContact OH-OE1 2.7Å; Y14-E172 PolarHBondContact OH-OE2 3.44Å; N138-E172 PolarHBondContact ND2-OE2 3.25Å; N138-E172 PolarHBondContact OD1-N 2.89Å; K170-E172 PolarHBondContact O-N 3.24Å; E172-Q174 PolarHBondContact O-N 2.91Å
173S93.8Very high96.6Very high26 Ų2657.7 Ų57.718%0.18230%0.297CS..  trans-86.995.8-177-65.50000111.3N138 Y175 L176 T177N138-S173 VanDerWaalsContact CG-OG 3.31Å; N138-S173 PolarHBondContact OD1-N 3.5Å; N138-S173 PolarHBondContact OD1-OG 3.46Å; S173-Y175 VanDerWaalsContact C-N 3.31Å; S173-Y175 PolarHBondContact O-N 3.43Å; S173-L176 PolarHBondContact O-N 3.31Å; S173-T177 PolarHBondContact O-N 2.77Å; S173-T177 VanDerWaalsContact O-N 3.12Å; S173-T177 PolarHBondContact O-OG1 2.98Å
174Q94.7Very high96Very high152 Ų15261.6 Ų61.671%0.7132%0.318SS*.Hα-helixtrans-49.9-46.7179.5-71.2179.1-30.600113.3E172 L176 T177 E178E172-Q174 PolarHBondContact O-N 2.91Å; Q174-L176 PolarHBondContact O-N 3.27Å; Q174-T177 WeakPolarHBondContact O-CB 3.13Å; Q174-T177 PolarHBondContact O-N 3.34Å; Q174-E178 WeakPolarHBondContact O-CG 3.21Å; Q174-E178 PolarHBondContact O-N 2.94Å
175Y96.1Very high95.2Very high79 Ų7960.3 Ų60.331%0.3131%0.313SS..Hα-helixtrans-61.7-27.6179.673.7-87.4000114.1V99 R139 S173 D179V99-Y175 HydrophobicContact CG2-CD2 3.95Å; V99-Y175 HydrophobicContact CG2-CE2 4.48Å; R139-Y175 PolarHBondContact NH2-OH 2.95Å; S173-Y175 VanDerWaalsContact C-N 3.31Å; S173-Y175 PolarHBondContact O-N 3.43Å; Y175-D179 PolarHBondContact O-N 2.97Å
176L97.5Very high94.3Very high0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-78.8-41173.9-67.3-179.8000110.6N138 Y142 S173 Q174 E178 D179 V180N138-L176 HydrophobicContact CB-CD1 3.95Å; Y142-L176 HydrophobicContact CD2-CB 4.07Å; Y142-L176 HydrophobicContact CD2-CD2 3.71Å; Y142-L176 HydrophobicContact CD2-CG 4.38Å; Y142-L176 HydrophobicContact CE2-CD2 4.08Å; Y142-L176 HydrophobicContact CG-CD2 4.24Å; S173-L176 PolarHBondContact O-N 3.31Å; Q174-L176 PolarHBondContact O-N 3.27Å; L176-E178 VanDerWaalsContact C-N 3.34Å; L176-D179 PolarHBondContact O-N 2.93Å; L176-V180 VanDerWaalsContact O-CG2 3.27Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 3.09Å
177T97.1Very high92.9Very high31 Ų3164 Ų6419%0.1934%0.339CS..Hα-helixtrans-60.3-45.9176.2-530000110.7I160 F171 S173 Q174 V180 L181I160-T177 HydrophobicContact CD1-CG2 4.05Å; F171-T177 WeakPolarHBondContact CB-OG1 3.45Å; S173-T177 PolarHBondContact O-N 2.77Å; S173-T177 VanDerWaalsContact O-N 3.12Å; S173-T177 PolarHBondContact O-OG1 2.98Å; Q174-T177 WeakPolarHBondContact O-CB 3.13Å; Q174-T177 PolarHBondContact O-N 3.34Å; T177-V180 PolarHBondContact O-N 2.85Å; T177-L181 HydrophobicContact CG2-CD1 4.04Å; T177-L181 HydrophobicContact CG2-CG 4.5Å; T177-L181 WeakPolarHBondContact O-CB 3.39Å; T177-L181 VanDerWaalsContact O-CG 3.32Å; T177-L181 WeakPolarHBondContact O-CG 3.34Å; T177-L181 PolarHBondContact O-N 2.92Å
178E97.3Very high91.6Very high125 Ų12568 Ų6858%0.58436%0.36SS*.Hα-helixtrans-61.4-42.7176.7-72.2169.7-173.300112.3Q174 L176 V180 L181 S182Q174-E178 WeakPolarHBondContact O-CG 3.21Å; Q174-E178 PolarHBondContact O-N 2.94Å; L176-E178 VanDerWaalsContact C-N 3.34Å; E178-V180 VanDerWaalsContact C-N 3.34Å; E178-V180 PolarHBondContact O-N 3.49Å; E178-L181 PolarHBondContact O-N 3.43Å; E178-S182 PolarHBondContact O-N 3.39Å
179D97.3Very high90.3Very high40 Ų4069.4 Ų69.421%0.21435%0.354CS..Hα-helixtrans-67.8-31.3176-176.291.5000113.2V99 Y142 K146 Y175 L176 S182 S183V99-D179 HydrophobicContact CG1-CB 4.38Å; V99-D179 HydrophobicContact CG2-CB 4.13Å; Y142-D179 HydrophobicContact CE2-CB 4.16Å; Y142-D179 WeakPolarHBondContact CE2-OD2 3.45Å; Y142-D179 PolarHBondContact OH-OD2 3.25Å; K146-D179 PolarHBondContact NZ-O 3.43Å; K146-D179 IonicContact NZ-OD2 3.67Å; K146-D179 PolarHBondContact NZ-OD2 3.18Å; Y175-D179 PolarHBondContact O-N 2.97Å; L176-D179 PolarHBondContact O-N 2.93Å; D179-S182 PolarHBondContact O-OG 3.25Å; D179-S183 PolarHBondContact O-OG 3.31Å
180V97.4Very high88.6Confident0 Ų077 Ų770%039%0.387CS..Hα-helixtrans-70-47.1172.4173.40000109.7Y142 C145 K146 I149 I160 L176 T177 E178 S182 S183Y142-V180 HydrophobicContact CD2-CG2 3.69Å; Y142-V180 HydrophobicContact CE2-CG2 4.07Å; Y142-V180 HydrophobicContact CG-CG2 4.49Å; C145-V180 HydrophobicContact CB-CG1 3.67Å; C145-V180 HydrophobicContact CB-CG2 4.35Å; K146-V180 HydrophobicContact CD-CG2 4.04Å; K146-V180 HydrophobicContact CG-CG2 4.22Å; I149-V180 HydrophobicContact CD1-CG1 3.58Å; I160-V180 HydrophobicContact CD1-CB 4.1Å; I160-V180 HydrophobicContact CD1-CG1 3.66Å; I160-V180 HydrophobicContact CG1-CB 4.45Å; I160-V180 HydrophobicContact CG1-CG1 3.67Å; L176-V180 VanDerWaalsContact O-CG2 3.27Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 3.09Å; T177-V180 PolarHBondContact O-N 2.85Å; E178-V180 VanDerWaalsContact C-N 3.34Å; E178-V180 PolarHBondContact O-N 3.49Å; V180-S182 VanDerWaalsContact C-N 3.26Å; V180-S182 PolarHBondContact O-N 2.99Å; V180-S183 WeakPolarHBondContact O-CB 3.19Å; V180-S183 PolarHBondContact O-N 2.76Å; V180-S183 VanDerWaalsContact O-N 3.07Å; V180-S183 PolarHBondContact O-OG 3.15Å
181L96.9Very high86.4Confident74 Ų7477.3 Ų77.339%0.38740%0.402SS..Hα-helixtrans-63.1-27.9179.2-72.9172.1000113.6A156 E157 I160 T177 E178 S183A156-L181 HydrophobicContact CB-CD2 4.23Å; E157-L181 HydrophobicContact CG-CD2 3.86Å; I160-L181 HydrophobicContact CD1-CD1 4.48Å; I160-L181 HydrophobicContact CD1-CD2 3.62Å; I160-L181 HydrophobicContact CD1-CG 3.66Å; T177-L181 HydrophobicContact CG2-CD1 4.04Å; T177-L181 HydrophobicContact CG2-CG 4.5Å; T177-L181 WeakPolarHBondContact O-CB 3.39Å; T177-L181 VanDerWaalsContact O-CG 3.32Å; T177-L181 WeakPolarHBondContact O-CG 3.34Å; T177-L181 PolarHBondContact O-N 2.92Å; E178-L181 PolarHBondContact O-N 3.43Å; L181-S183 PolarHBondContact O-N 3Å
182S95Very high86Confident89 Ų8980.3 Ų80.362%0.62242%0.418SS*.THydrogen-bonded Turntrans-76.5-2.5175.471.10000114.2E178 D179 V180E178-S182 PolarHBondContact O-N 3.39Å; D179-S182 PolarHBondContact O-OG 3.25Å; V180-S182 VanDerWaalsContact C-N 3.26Å; V180-S182 PolarHBondContact O-N 2.99Å
183S91.9Very high85.6Confident14 Ų1479 Ų7910%0.09841%0.414CS..  trans-79.7131.6-180-50.80000110.8K146 D179 V180 L181K146-S183 WeakPolarHBondContact CD-OG 3.34Å; K146-S183 WeakPolarHBondContact CE-OG 3.42Å; K146-S183 PolarHBondContact NZ-OG 3.06Å; D179-S183 PolarHBondContact O-OG 3.31Å; V180-S183 WeakPolarHBondContact O-CB 3.19Å; V180-S183 PolarHBondContact O-N 2.76Å; V180-S183 VanDerWaalsContact O-N 3.07Å; V180-S183 PolarHBondContact O-OG 3.15Å; L181-S183 PolarHBondContact O-N 3Å
184D86.2Confident85.2Confident83 Ų8381.9 Ų81.944%0.44443%0.427SS..  trans-106.7111.5-178.4-174.8-10.1000111.3S186 F187D184-S186 PolarHBondContact O-N 3.32Å; D184-S186 WeakPolarHBondContact OD1-CB 3.43Å; D184-S186 PolarHBondContact OD1-N 3.5Å; D184-S186 PolarHBondContact OD1-OG 3.01Å; D184-S186 PolarHBondContact OD2-OG 3.34Å; D184-F187 HydrophobicContact CB-CD2 4.5Å
185P82Confident84.6Confident17 Ų1777.8 Ų77.811%0.1141%0.411CS..THydrogen-bonded Turntrans-71.2-11.1-18029.4-34.3000113.8I149 W154 F187I149-P185 HydrophobicContact CG2-CB 4.06Å; I149-P185 HydrophobicContact CG2-CG 4.47Å; W154-P185 WeakPolarHBondContact O-CB 3.48Å; P185-F187 PolarHBondContact O-N 3.31Å
186S79Confident83.9Confident82 Ų8277.8 Ų77.857%0.57342%0.417SS*.THydrogen-bonded Turntrans-65.6-22.5178.370.50000112.7D184D184-S186 PolarHBondContact O-N 3.32Å; D184-S186 WeakPolarHBondContact OD1-CB 3.43Å; D184-S186 PolarHBondContact OD1-N 3.5Å; D184-S186 PolarHBondContact OD1-OG 3.01Å; D184-S186 PolarHBondContact OD2-OG 3.34Å
187F69.1Low83Confident151 Ų15182.9 Ų82.966%0.66245%0.445SS*.SBendtrans-108.266.2174.3-58.5-78.2000110.6D184 P185 L189D184-F187 HydrophobicContact CB-CD2 4.5Å; P185-F187 PolarHBondContact O-N 3.31Å; F187-L189 PolarHBondContact O-N 3.11Å; F187-L189 VanDerWaalsContact O-N 3.11Å
188L70.5Confident82Confident89 Ų8986.6 Ų86.647%0.46646%0.463SS..  trans-49.3123.9173-68.6-177.2000110N150 K190N150-L188 WeakPolarHBondContact O-CA 3.11Å; L188-K190 VanDerWaalsContact C-N 3.34Å; L188-K190 PolarHBondContact O-N 3.28Å
189L70.8Confident80.8Confident86 Ų8683.7 Ų83.745%0.4545%0.454SS..  trans-71.793.4180-65.4-179.2000108.5N150 Y151 F187 T191N150-L189 HydrophobicContact CB-CD1 3.89Å; N150-L189 HydrophobicContact CB-CG 4.16Å; N150-L189 PolarHBondContact O-N 3.03Å; Y151-L189 HydrophobicContact CD1-CB 4.29Å; Y151-L189 WeakPolarHBondContact CD1-O 3.38Å; Y151-L189 HydrophobicContact CE1-CB 3.7Å; Y151-L189 WeakPolarHBondContact CE1-O 3.23Å; Y151-L189 HydrophobicContact CE2-CD1 4.18Å; F187-L189 PolarHBondContact O-N 3.11Å; F187-L189 VanDerWaalsContact O-N 3.11Å; L189-T191 PolarHBondContact O-N 2.92Å
190K62.1Low79.4Confident199 Ų19987.3 Ų87.387%0.86547%0.474SS*.  trans-64.8118.8171.3-67.2-176.1-177.8178.80108.8L188L188-K190 VanDerWaalsContact C-N 3.34Å; L188-K190 PolarHBondContact O-N 3.28Å
191T52.3Low77.8Confident164 Ų16495.3 Ų95.3100%1.00652%0.517SS*.  trans-142.3016028.40000108.5K113 L189K113-T191 PolarHBondContact NZ-O 3.37Å; K113-T191 PolarHBondContact NZ-OG1 3.12Å; L189-T191 PolarHBondContact O-N 2.92Å

Retrieved 191 of 191 residues in 398.4 ms (Link to these results)

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