A0A087YMB5_POEFO Loading...

Twinfilin actin-binding protein 2b

AlphaFold DB , UniProt , Accession A0A087YMB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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
1M51.2Low82Confident171 Ų17175.5 Ų75.584%0.84244%0.436SS*.  095.60-59.5-98.6-77.900105.9Q4M1-Q4 VanDerWaalsContact SD-CD 3.56Å; M1-Q4 PolarHBondContact SD-NE2 3.28Å; M1-Q4 PolarHBondContact SD-OE1 3.35Å
2S59.3Low83.1Confident96 Ų9681.8 Ų81.867%0.67146%0.458SS*.  trans-110.9131.4178.348.60000109Q4S2-Q4 PolarHBondContact O-N 2.89Å
3H73.8Confident83.9Confident178 Ų17875.7 Ų75.782%0.82442%0.424SS*.SBendtrans48.650.6173.4-50.7-72.5000116.3A103H3-A103 WeakPolarHBondContact O-CB 3.46Å
4Q81.7Confident84.6Confident57 Ų5776.1 Ų76.127%0.26642%0.419SS..  trans-83.8145.1175.9-69.7-172.2-25.200112.1M1 S2 G6 T107M1-Q4 VanDerWaalsContact SD-CD 3.56Å; M1-Q4 PolarHBondContact SD-NE2 3.28Å; M1-Q4 PolarHBondContact SD-OE1 3.35Å; S2-Q4 PolarHBondContact O-N 2.89Å; Q4-G6 VanDerWaalsContact C-N 3.27Å; Q4-G6 PolarHBondContact O-N 3.33Å; Q4-T107 PolarHBondContact NE2-OG1 3.07Å
5T83.5Confident85.2Confident59 Ų5980.5 Ų80.536%0.36244%0.435SS..  trans-73.6-14.9177.850.70000113.9I7 M100 A103 T104T5-I7 HydrophobicContact CG2-CD1 4.46Å; T5-I7 PolarHBondContact O-N 3.19Å; T5-I7 WeakPolarHBondContact OG1-CB 3.4Å; T5-I7 WeakPolarHBondContact OG1-CG1 3.26Å; T5-I7 PolarHBondContact OG1-N 3.49Å; T5-M100 HydrophobicContact CG2-CG 4.41Å; T5-A103 HydrophobicContact CG2-CB 3.55Å; T5-T104 PolarHBondContact OG1-OG1 3.49Å
6G87.1Confident85.7Confident50 Ų5077.2 Ų77.252%0.51542%0.416SS..  trans78.8-1.1-171.700000114.5Q4 N8Q4-G6 VanDerWaalsContact C-N 3.27Å; Q4-G6 PolarHBondContact O-N 3.33Å; G6-N8 PolarHBondContact O-N 2.92Å; G6-N8 PolarHBondContact O-ND2 3.32Å
7I92Very high86.2Confident11 Ų1172.7 Ų72.76%0.05639%0.392CS..  trans-64.2126.6175.2-65177.5000109.5T5 I32 E35 L37 M100 T104 T107T5-I7 HydrophobicContact CG2-CD1 4.46Å; T5-I7 PolarHBondContact O-N 3.19Å; T5-I7 WeakPolarHBondContact OG1-CB 3.4Å; T5-I7 WeakPolarHBondContact OG1-CG1 3.26Å; T5-I7 PolarHBondContact OG1-N 3.49Å; I7-I32 HydrophobicContact CD1-CD1 4.49Å; I7-I32 HydrophobicContact CD1-CG2 3.83Å; I7-I32 HydrophobicContact CG2-CG2 4.35Å; I7-E35 HydrophobicContact CG1-CB 4.38Å; I7-E35 WeakPolarHBondContact CG1-O 3.24Å; I7-E35 WeakPolarHBondContact CG2-O 3.43Å; I7-L37 HydrophobicContact CG2-CG 4.05Å; I7-M100 HydrophobicContact CD1-CG 3.64Å; I7-M100 HydrophobicContact CD1-SD 3.86Å; I7-T104 HydrophobicContact CB-CG2 3.96Å; I7-T104 HydrophobicContact CG2-CG2 3.83Å; I7-T107 WeakPolarHBondContact O-CG2 3.43Å
8N92.1Very high86.4Confident93 Ų9371.1 Ų71.150%0.49739%0.39SS..  trans-113.7163.1-178.5-65.1-59.2000111.5G6 L37G6-N8 PolarHBondContact O-N 2.92Å; G6-N8 PolarHBondContact O-ND2 3.32Å; N8-L37 PolarHBondContact O-N 3.05Å
9A92.7Very high86.7Confident8 Ų872.4 Ų72.47%0.06639%0.393CS..BIsolated β-bridgetrans-73.8133.6170.700000111.5L13 K14 L37 E111A9-L13 HydrophobicContact CB-CB 4.44Å; A9-L13 HydrophobicContact CB-CD2 3.86Å; A9-L13 HydrophobicContact CB-CG 4.28Å; A9-K14 HydrophobicContact CB-CG 3.88Å; A9-K14 WeakPolarHBondContact O-CE 3.48Å; A9-L37 HydrophobicContact CB-CB 4.38Å; A9-L37 HydrophobicContact CB-CD1 4.44Å; A9-E111 HydrophobicContact CB-CG 4.24Å
10T94.9Very high86.9Confident14 Ų1468.8 Ų68.89%0.08637%0.373CS..  trans-57.1150.9169.951.80000110.7E12 L13 K14 E36 L37 V38T10-E12 PolarHBondContact O-N 2.63Å; T10-L13 PolarHBondContact O-N 2.89Å; T10-L13 VanDerWaalsContact O-N 3.13Å; T10-L13 VanDerWaalsContact OG1-CB 3.27Å; T10-L13 WeakPolarHBondContact OG1-CB 3.49Å; T10-L13 PolarHBondContact OG1-N 3.07Å; T10-K14 WeakPolarHBondContact O-CG 3.47Å; T10-K14 PolarHBondContact O-N 2.97Å; T10-E36 HydrophobicContact CG2-CB 3.86Å; T10-E36 WeakPolarHBondContact CG2-OE2 3.36Å; T10-L37 PolarHBondContact N-O 2.98Å; T10-L37 PolarHBondContact OG1-O 3.23Å; T10-V38 HydrophobicContact CG2-CG1 3.86Å
11P94.1Very high87Confident93 Ų9369.5 Ų69.560%0.60437%0.37SS*.Hα-helixtrans-58.3-34.617923.3-33.5000112.2K14 Q15P11-K14 PolarHBondContact O-N 3.26Å; P11-Q15 WeakPolarHBondContact O-CG 3.18Å; P11-Q15 PolarHBondContact O-N 3.39Å
12E94.5Very high88.6Confident152 Ų15271.4 Ų71.471%0.7137%0.368SS*.Hα-helixtrans-62.9-48.2175.1-64177.1-176.200111.5T10 K14 Q15 F16T10-E12 PolarHBondContact O-N 2.63Å; E12-K14 VanDerWaalsContact C-N 3.32Å; E12-K14 PolarHBondContact O-N 3.4Å; E12-Q15 PolarHBondContact O-N 2.88Å; E12-F16 PolarHBondContact O-N 3.49Å
13L93.8Very high89.8Confident2 Ų267.5 Ų67.51%0.0134%0.344CS..Hα-helixtrans-60.7-41.7175.3179.261.4000111.2A9 T10 Q15 F16 L17 I30 L37 L39A9-L13 HydrophobicContact CB-CB 4.44Å; A9-L13 HydrophobicContact CB-CD2 3.86Å; A9-L13 HydrophobicContact CB-CG 4.28Å; T10-L13 PolarHBondContact O-N 2.89Å; T10-L13 VanDerWaalsContact O-N 3.13Å; T10-L13 VanDerWaalsContact OG1-CB 3.27Å; T10-L13 WeakPolarHBondContact OG1-CB 3.49Å; T10-L13 PolarHBondContact OG1-N 3.07Å; L13-Q15 VanDerWaalsContact C-N 3.34Å; L13-Q15 PolarHBondContact O-N 3.4Å; L13-F16 PolarHBondContact O-N 3.31Å; L13-L17 HydrophobicContact CD1-CD1 4.38Å; L13-L17 HydrophobicContact CD1-CD2 4.21Å; L13-L17 HydrophobicContact CD1-CG 4.03Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 HydrophobicContact CG-CG 4.18Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.24Å; L13-L17 PolarHBondContact O-N 3.38Å; L13-I30 HydrophobicContact CD1-CD1 4.09Å; L13-I30 HydrophobicContact CD1-CG1 4.11Å; L13-I30 HydrophobicContact CD2-CG2 3.95Å; L13-L37 HydrophobicContact CD2-CB 3.62Å; L13-L37 WeakPolarHBondContact CD2-O 3.18Å; L13-L39 HydrophobicContact CD1-CB 4.14Å
14K93.5Very high90.4Very high81 Ų8161.2 Ų61.235%0.35232%0.319SS..Hα-helixtrans-60.5-42.2177.9-68.1-174-173.2-140.70112.4A9 T10 P11 E12 A18 E111A9-K14 HydrophobicContact CB-CG 3.88Å; A9-K14 WeakPolarHBondContact O-CE 3.48Å; T10-K14 WeakPolarHBondContact O-CG 3.47Å; T10-K14 PolarHBondContact O-N 2.97Å; P11-K14 PolarHBondContact O-N 3.26Å; E12-K14 VanDerWaalsContact C-N 3.32Å; E12-K14 PolarHBondContact O-N 3.4Å; K14-A18 PolarHBondContact O-N 3.31Å; K14-A18 VanDerWaalsContact O-N 3.13Å; K14-E111 WeakPolarHBondContact CE-OE2 3.27Å; K14-E111 IonicContact NZ-OE1 2.89Å; K14-E111 PolarHBondContact NZ-OE1 2.76Å; K14-E111 IonicContact NZ-OE2 2.82Å; K14-E111 PolarHBondContact NZ-OE2 3.16Å
15Q93.6Very high91Very high143 Ų14358.7 Ų58.767%0.66831%0.308SS*.Hα-helixtrans-64.3-43.7175.3-70177.420.400111.2P11 E12 L13 A18 Q19P11-Q15 WeakPolarHBondContact O-CG 3.18Å; P11-Q15 PolarHBondContact O-N 3.39Å; E12-Q15 PolarHBondContact O-N 2.88Å; L13-Q15 VanDerWaalsContact C-N 3.34Å; L13-Q15 PolarHBondContact O-N 3.4Å; Q15-A18 PolarHBondContact O-N 3.06Å; Q15-Q19 PolarHBondContact O-N 3.35Å
16F94.3Very high91.6Very high27 Ų2756 Ų5612%0.11829%0.291CS..Hα-helixtrans-63-43.9177.7-170.7-94.5000112.5E12 L13 A18 Q19 A20 I25 M28 L39 F42E12-F16 PolarHBondContact O-N 3.49Å; L13-F16 PolarHBondContact O-N 3.31Å; F16-A18 VanDerWaalsContact C-N 3.29Å; F16-A18 PolarHBondContact O-N 2.97Å; F16-Q19 WeakPolarHBondContact O-CB 3.44Å; F16-Q19 PolarHBondContact O-N 3.37Å; F16-Q19 VanDerWaalsContact O-N 3.13Å; F16-A20 WeakPolarHBondContact O-CB 3.3Å; F16-A20 PolarHBondContact O-N 2.76Å; F16-I25 HydrophobicContact CE1-CG1 4.42Å; F16-I25 HydrophobicContact CE2-CD1 4.42Å; F16-I25 HydrophobicContact CZ-CD1 4.01Å; F16-I25 HydrophobicContact CZ-CG1 3.9Å; F16-I25 HydrophobicContact CZ-CG2 4.41Å; F16-M28 HydrophobicContact CD1-SD 4.16Å; F16-M28 HydrophobicContact CE1-CB 4.07Å; F16-M28 HydrophobicContact CE1-CE 4.16Å; F16-M28 HydrophobicContact CE1-SD 3.93Å; F16-L39 HydrophobicContact CD1-CD1 3.94Å; F16-L39 HydrophobicContact CD1-CD2 3.82Å; F16-L39 HydrophobicContact CD1-CG 4.49Å; F16-L39 HydrophobicContact CD2-CD2 3.84Å; F16-L39 HydrophobicContact CE1-CD1 3.77Å; F16-L39 HydrophobicContact CE1-CD2 3.84Å; F16-L39 HydrophobicContact CE1-CG 4.49Å; F16-L39 HydrophobicContact CE2-CD2 3.86Å; F16-L39 HydrophobicContact CG-CD2 3.81Å; F16-L39 HydrophobicContact CZ-CD1 4.42Å; F16-L39 HydrophobicContact CZ-CD2 3.86Å; F16-F42 HydrophobicContact CE1-CB 4.26Å; F16-F42 HydrophobicContact CE2-CD1 4.09Å; F16-F42 HydrophobicContact CE2-CD2 4.41Å; F16-F42 HydrophobicContact CE2-CE1 4.28Å; F16-F42 HydrophobicContact CE2-CG 4.15Å; F16-F42 HydrophobicContact CZ-CB 3.72Å; F16-F42 AromaticContact CZ-CD1 3.89Å; F16-F42 HydrophobicContact CZ-CD1 3.89Å; F16-F42 AromaticContact CZ-CD2 3.99Å; F16-F42 HydrophobicContact CZ-CD2 3.99Å; F16-F42 AromaticContact CZ-CG 3.59Å; F16-F42 HydrophobicContact CZ-CG 3.59Å
17L93.2Very high92.1Very high1 Ų153.7 Ų53.71%0.00527%0.267CS..Hα-helixtrans-60.1-39.8175.7-67.4174.1000111.3L13 A20 R21 M28 I30 L70 L108 F112L13-L17 HydrophobicContact CD1-CD1 4.38Å; L13-L17 HydrophobicContact CD1-CD2 4.21Å; L13-L17 HydrophobicContact CD1-CG 4.03Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 HydrophobicContact CG-CG 4.18Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.24Å; L13-L17 PolarHBondContact O-N 3.38Å; L17-A20 PolarHBondContact O-N 3.23Å; L17-R21 WeakPolarHBondContact O-CG 3.35Å; L17-R21 PolarHBondContact O-N 3.36Å; L17-M28 HydrophobicContact CD2-SD 3.66Å; L17-I30 HydrophobicContact CD2-CD1 4.04Å; L17-L70 HydrophobicContact CD2-CD1 3.92Å; L17-L108 HydrophobicContact CD1-CD1 4.4Å; L17-F112 HydrophobicContact CB-CD2 4.12Å; L17-F112 HydrophobicContact CD2-CD2 3.62Å; L17-F112 HydrophobicContact CD2-CE2 4.23Å; L17-F112 HydrophobicContact CG-CD2 4.28Å
18A90.9Very high92.3Very high43 Ų4353.2 Ų53.236%0.35526%0.264SS..Hα-helixtrans-66.5-36.2175.500000112.8K14 Q15 F16K14-A18 PolarHBondContact O-N 3.31Å; K14-A18 VanDerWaalsContact O-N 3.13Å; Q15-A18 PolarHBondContact O-N 3.06Å; F16-A18 VanDerWaalsContact C-N 3.29Å; F16-A18 PolarHBondContact O-N 2.97Å
19Q91Very high92.5Very high97 Ų9749.6 Ų49.645%0.45324%0.244SC..Hα-helixtrans-67.7-44.4173.3-179178.40.100111.4Q15 F16 R21 R22Q15-Q19 PolarHBondContact O-N 3.35Å; F16-Q19 WeakPolarHBondContact O-CB 3.44Å; F16-Q19 PolarHBondContact O-N 3.37Å; F16-Q19 VanDerWaalsContact O-N 3.13Å; Q19-R21 VanDerWaalsContact C-N 3.26Å; Q19-R21 PolarHBondContact O-N 3.34Å; Q19-R22 VanDerWaalsContact O-CB 3.27Å; Q19-R22 WeakPolarHBondContact O-CB 3.23Å; Q19-R22 PolarHBondContact O-N 2.99Å
20A90.9Very high92.7Very high0 Ų049.2 Ų49.20%024%0.241CC..Hα-helixtrans-59.7-36.1-177.700000112.8F16 L17 R22 G23 I25 M28 W83F16-A20 WeakPolarHBondContact O-CB 3.3Å; F16-A20 PolarHBondContact O-N 2.76Å; L17-A20 PolarHBondContact O-N 3.23Å; A20-R22 PolarHBondContact O-N 3.31Å; A20-G23 PolarHBondContact O-N 2.89Å; A20-I25 HydrophobicContact CB-CB 4.2Å; A20-I25 HydrophobicContact CB-CG1 4.12Å; A20-M28 HydrophobicContact CB-CE 3.28Å; A20-M28 HydrophobicContact CB-SD 4.42Å; A20-W83 HydrophobicContact CB-CH2 4.1Å; A20-W83 HydrophobicContact CB-CZ2 4.3Å; A20-W83 WeakPolarHBondContact O-CZ2 2.92Å
21R88.3Confident92.8Very high83 Ų8350.5 Ų50.531%0.31325%0.247SC..THydrogen-bonded Turntrans-56.4-22.7174.5-68.3172.9-154.9162.48113.6L17 Q19 G23 E111 F112L17-R21 WeakPolarHBondContact O-CG 3.35Å; L17-R21 PolarHBondContact O-N 3.36Å; Q19-R21 VanDerWaalsContact C-N 3.26Å; Q19-R21 PolarHBondContact O-N 3.34Å; R21-G23 PolarHBondContact O-N 2.91Å; R21-E111 PolarHBondContact NH2-O 3.26Å; R21-F112 HydrophobicContact CG-CE2 4.23Å; R21-F112 HydrophobicContact CG-CZ 4.5Å; R21-F112 PolarHBondContact NE-O 2.76Å; R21-F112 PolarHBondContact NH2-O 2.87Å
22R84.9Confident92.9Very high211 Ų21147 Ų4780%0.79622%0.223SC*.THydrogen-bonded Turntrans-76-6.8176.2-56.3179.8-176.8167.30.9113.5Q19 A20Q19-R22 VanDerWaalsContact O-CB 3.27Å; Q19-R22 WeakPolarHBondContact O-CB 3.23Å; Q19-R22 PolarHBondContact O-N 2.99Å; A20-R22 PolarHBondContact O-N 3.31Å
23G84.9Confident92.8Very high15 Ų1542.2 Ų42.216%0.15521%0.206CC..THydrogen-bonded Turntrans90.518.5173.500000115.5A20 R21 R72A20-G23 PolarHBondContact O-N 2.89Å; R21-G23 PolarHBondContact O-N 2.91Å; G23-R72 VanDerWaalsContact C-NH1 3.3Å; G23-R72 PolarHBondContact O-NH1 2.83Å
24S87.2Confident92.6Very high45 Ų4549.3 Ų49.332%0.31524%0.244SC..  trans-82.3-21.9175590000113.6P45S24-P45 VanDerWaalsContact O-CD 3.25Å; S24-P45 WeakPolarHBondContact O-CD 3.4Å
25I94.4Very high92.5Very high4 Ų451.6 Ų51.62%0.02126%0.256CS..  trans-108.7139.2-172.7-53.4-55.3000110.1F16 A20 I27 M28 F42 E44 R72 W83F16-I25 HydrophobicContact CE1-CG1 4.42Å; F16-I25 HydrophobicContact CE2-CD1 4.42Å; F16-I25 HydrophobicContact CZ-CD1 4.01Å; F16-I25 HydrophobicContact CZ-CG1 3.9Å; F16-I25 HydrophobicContact CZ-CG2 4.41Å; A20-I25 HydrophobicContact CB-CB 4.2Å; A20-I25 HydrophobicContact CB-CG1 4.12Å; I25-I27 VanDerWaalsContact CG2-O 3.3Å; I25-I27 WeakPolarHBondContact CG2-O 3.4Å; I25-M28 HydrophobicContact CB-CE 4.4Å; I25-M28 HydrophobicContact CG2-CE 3.96Å; I25-F42 HydrophobicContact CD1-CD2 3.73Å; I25-F42 HydrophobicContact CD1-CE2 4.05Å; I25-F42 HydrophobicContact CG2-CB 4.27Å; I25-E44 HydrophobicContact CD1-CG 4.5Å; I25-R72 WeakPolarHBondContact O-CD 3.43Å; I25-R72 PolarHBondContact O-NH1 3.14Å; I25-W83 HydrophobicContact CB-CH2 4.4Å; I25-W83 WeakPolarHBondContact O-CH2 3.29Å
26R95.8Very high92.5Very high4 Ų449.6 Ų49.62%0.01525%0.247CC..SBendtrans-92.6-44.2174.2173.76378.2-159.61.1111.8R43 P45 Q47 D52 F56 Y71 R72 D74R26-R43 PolarHBondContact N-O 3.47Å; R26-P45 HydrophobicContact CB-CB 4.02Å; R26-Q47 PolarHBondContact NH2-O 2.9Å; R26-D52 HydrophobicContact CG-CB 4.37Å; R26-D52 IonicContact CZ-OD2 2.72Å; R26-D52 IonicContact NE-OD2 2.58Å; R26-D52 PolarHBondContact NE-OD2 3.11Å; R26-D52 IonicContact NH2-OD2 2.83Å; R26-F56 HydrophobicContact CB-CD2 4.39Å; R26-F56 HydrophobicContact CB-CE2 4.21Å; R26-F56 HydrophobicContact CG-CD2 3.73Å; R26-F56 HydrophobicContact CG-CE2 3.83Å; R26-Y71 HydrophobicContact CG-CE2 3.9Å; R26-R72 WeakPolarHBondContact CD-O 3.26Å; R26-R72 PolarHBondContact NH1-O 3.34Å; R26-R72 WeakPolarHBondContact O-CB 3.47Å; R26-R72 PolarHBondContact O-N 3.47Å; R26-D74 IonicContact CZ-OD1 3.14Å; R26-D74 VanDerWaalsContact CZ-OD1 3.22Å; R26-D74 IonicContact NH1-OD1 2.73Å; R26-D74 PolarHBondContact NH1-OD1 3.28Å; R26-D74 IonicContact NH2-OD1 3.22Å; R26-D74 PolarHBondContact NH2-OD1 3.23Å; R26-D74 IonicContact NH2-OD2 3.19Å
27I96.8Very high92.5Very high1 Ų148.3 Ų48.31%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-143.8145.3-176.5-167.6173000109.6I25 F42 R43 F56 V57 L60 I69 L70 Y71I25-I27 VanDerWaalsContact CG2-O 3.3Å; I25-I27 WeakPolarHBondContact CG2-O 3.4Å; I27-F42 CarbonylContact O-C 3.57Å; I27-F42 WeakPolarHBondContact O-CA 3.26Å; I27-F42 WeakPolarHBondContact O-CB 3.46Å; I27-R43 HydrophobicContact CG2-CB 3.74Å; I27-R43 HydrophobicContact CG2-CG 4.09Å; I27-R43 PolarHBondContact N-O 3Å; I27-R43 PolarHBondContact O-N 3.38Å; I27-F56 HydrophobicContact CD1-CB 3.91Å; I27-F56 HydrophobicContact CG2-CB 4.14Å; I27-F56 HydrophobicContact CG2-CD2 3.8Å; I27-F56 HydrophobicContact CG2-CG 4.34Å; I27-V57 HydrophobicContact CD1-CB 4.49Å; I27-V57 HydrophobicContact CD1-CG2 3.77Å; I27-L60 HydrophobicContact CD1-CD1 3.54Å; I27-L60 HydrophobicContact CG1-CD1 4.15Å; I27-I69 HydrophobicContact CD1-CG2 3.69Å; I27-I69 HydrophobicContact CG1-CG2 3.59Å; I27-L70 WeakPolarHBondContact CA-O 3.46Å; I27-Y71 HydrophobicContact CB-CD2 3.97Å; I27-Y71 HydrophobicContact CB-CE2 4.44Å; I27-Y71 HydrophobicContact CD1-CD2 3.92Å; I27-Y71 HydrophobicContact CG1-CD2 3.97Å
28M96.3Very high92.7Very high0 Ų049.9 Ų49.90%025%0.251CS..EExtended strand (participates in β ladder)trans-141.3138.6168.667.6-165.578.200110.4F16 L17 A20 I25 I30 L39 S41 F42 I69 L70 W83F16-M28 HydrophobicContact CD1-SD 4.16Å; F16-M28 HydrophobicContact CE1-CB 4.07Å; F16-M28 HydrophobicContact CE1-CE 4.16Å; F16-M28 HydrophobicContact CE1-SD 3.93Å; L17-M28 HydrophobicContact CD2-SD 3.66Å; A20-M28 HydrophobicContact CB-CE 3.28Å; A20-M28 HydrophobicContact CB-SD 4.42Å; I25-M28 HydrophobicContact CB-CE 4.4Å; I25-M28 HydrophobicContact CG2-CE 3.96Å; M28-I30 HydrophobicContact CG-CD1 4.37Å; M28-I30 HydrophobicContact SD-CD1 4.42Å; M28-L39 HydrophobicContact CB-CD1 3.88Å; M28-S41 CarbonylContact C-O 3.53Å; M28-S41 WeakPolarHBondContact CA-O 3.47Å; M28-F42 HydrophobicContact CB-CB 4.15Å; M28-I69 WeakPolarHBondContact O-CA 3.38Å; M28-L70 HydrophobicContact CE-CB 4.44Å; M28-L70 HydrophobicContact CG-CB 3.76Å; M28-L70 HydrophobicContact CG-CD1 4.33Å; M28-L70 PolarHBondContact N-O 3.26Å; M28-L70 PolarHBondContact O-N 3.09Å; M28-L70 HydrophobicContact SD-CB 4.2Å; M28-L70 HydrophobicContact SD-CD1 3.92Å; M28-W83 HydrophobicContact CE-CE3 4.49Å; M28-W83 HydrophobicContact CE-CH2 3.58Å; M28-W83 HydrophobicContact CE-CZ3 3.52Å
29K97.2Very high93Very high18 Ų1850.5 Ų50.58%0.07825%0.247CC..EExtended strand (participates in β ladder)trans-102.6130.3173.7-178.7176.4166.5-151.90109.2I31 D40 S41 L60 C67 Y68 I69K29-I31 HydrophobicContact CG-CG2 4.34Å; K29-D40 HydrophobicContact CB-CB 4.31Å; K29-D40 HydrophobicContact CD-CB 4.32Å; K29-D40 WeakPolarHBondContact CD-OD2 3.46Å; K29-D40 WeakPolarHBondContact CE-OD2 3.37Å; K29-D40 HydrophobicContact CG-CB 4.09Å; K29-D40 IonicContact NZ-OD2 3.52Å; K29-D40 PolarHBondContact NZ-OD2 2.7Å; K29-D40 PolarHBondContact O-N 3.33Å; K29-S41 PolarHBondContact N-O 2.92Å; K29-L60 HydrophobicContact CB-CD1 4.32Å; K29-L60 HydrophobicContact CD-CB 4.17Å; K29-L60 HydrophobicContact CD-CD2 4.13Å; K29-C67 HydrophobicContact CD-CB 4.4Å; K29-C67 HydrophobicContact CG-CB 4.11Å; K29-Y68 CarbonylContact C-O 3.6Å; K29-Y68 WeakPolarHBondContact CA-O 3.35Å; K29-I69 HydrophobicContact CG-CG1 4.47Å
30I97.2Very high93.2Very high0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-122.1128.9-178.4-61.2167.1000107.3L13 L17 M28 L37 V38 Y68 L70 L108L13-I30 HydrophobicContact CD1-CD1 4.09Å; L13-I30 HydrophobicContact CD1-CG1 4.11Å; L13-I30 HydrophobicContact CD2-CG2 3.95Å; L17-I30 HydrophobicContact CD2-CD1 4.04Å; M28-I30 HydrophobicContact CG-CD1 4.37Å; M28-I30 HydrophobicContact SD-CD1 4.42Å; I30-L37 HydrophobicContact CG2-CB 4.22Å; I30-L37 HydrophobicContact CG2-CD2 3.93Å; I30-V38 WeakPolarHBondContact CA-O 3.41Å; I30-Y68 HydrophobicContact CG2-CD2 4.39Å; I30-Y68 PolarHBondContact N-O 3.32Å; I30-Y68 PolarHBondContact O-N 2.96Å; I30-L70 HydrophobicContact CD1-CD1 4.05Å; I30-L108 HydrophobicContact CB-CD2 4.29Å; I30-L108 HydrophobicContact CD1-CD1 3.8Å; I30-L108 HydrophobicContact CD1-CD2 4Å; I30-L108 HydrophobicContact CD1-CG 4.48Å; I30-L108 HydrophobicContact CG2-CD1 4.4Å; I30-L108 HydrophobicContact CG2-CD2 4.05Å
31I96.5Very high93.4Very high40 Ų4051.2 Ų51.221%0.20526%0.258CS..EExtended strand (participates in β ladder)trans-121.6161.8179.264.9176000109.7K29 V38 D40 C67 Y101K29-I31 HydrophobicContact CG-CG2 4.34Å; I31-V38 HydrophobicContact CD1-CG2 4.24Å; I31-V38 HydrophobicContact CG1-CG2 3.56Å; I31-V38 PolarHBondContact N-O 2.97Å; I31-V38 PolarHBondContact O-N 3.24Å; I31-D40 HydrophobicContact CD1-CB 4.05Å; I31-D40 HydrophobicContact CG1-CB 4.06Å; I31-D40 HydrophobicContact CG2-CB 3.97Å; I31-C67 HydrophobicContact CG2-CB 4.04Å; I31-Y101 WeakPolarHBondContact CA-OH 3.49Å; I31-Y101 WeakPolarHBondContact CB-OH 3.35Å
32I95.4Very high93.7Very high21 Ų2152 Ų5211%0.10826%0.263CS..EExtended strand (participates in β ladder)trans-98.5115.4170.6-58172.3000107.5I7 E36 L37 Y68 M100 Y101 T104I7-I32 HydrophobicContact CD1-CD1 4.49Å; I7-I32 HydrophobicContact CD1-CG2 3.83Å; I7-I32 HydrophobicContact CG2-CG2 4.35Å; I32-E36 WeakPolarHBondContact CA-O 3.47Å; I32-L37 HydrophobicContact CD1-CD2 4.42Å; I32-L37 HydrophobicContact CG1-CD2 3.69Å; I32-Y68 HydrophobicContact CD1-CE2 4.36Å; I32-Y68 HydrophobicContact CG1-CE2 4.47Å; I32-M100 HydrophobicContact CB-SD 4.2Å; I32-M100 HydrophobicContact CD1-CG 3.84Å; I32-M100 HydrophobicContact CD1-SD 4.2Å; I32-M100 HydrophobicContact CG2-CG 4.4Å; I32-M100 HydrophobicContact CG2-SD 3.5Å; I32-M100 WeakPolarHBondContact CG2-SD 3.47Å; I32-Y101 HydrophobicContact CB-CE1 4.38Å; I32-Y101 HydrophobicContact CB-CE2 4.27Å; I32-Y101 HydrophobicContact CD1-CD1 3.91Å; I32-Y101 HydrophobicContact CD1-CD2 4.11Å; I32-Y101 HydrophobicContact CD1-CE1 4.02Å; I32-Y101 HydrophobicContact CD1-CE2 4.27Å; I32-Y101 HydrophobicContact CD1-CG 3.95Å; I32-Y101 HydrophobicContact CG1-CD1 4.24Å; I32-Y101 HydrophobicContact CG1-CE1 3.85Å; I32-Y101 HydrophobicContact CG1-CE2 4.39Å; I32-Y101 PolarHBondContact N-OH 3.5Å; I32-T104 HydrophobicContact CD1-CG2 4.08Å
33S93.1Very high94.3Very high51 Ų5146.8 Ų46.836%0.35724%0.244SC..EExtended strand (participates in β ladder)trans-129.3133.4176.6-172.60000108.6E35 E36S33-E35 PolarHBondContact O-N 3.49Å; S33-E35 VanDerWaalsContact O-N 3.17Å; S33-E36 PolarHBondContact N-O 3.1Å; S33-E36 PolarHBondContact O-N 2.95Å
34N90.1Very high94.7Very high151 Ų15152 Ų5281%0.80726%0.264SS*.THydrogen-bonded Turntrans49.140.9-178-58.5-34.7000114.2E36N34-E36 PolarHBondContact O-N 3.4Å
35E90Very high95Very high128 Ų12852.3 Ų52.360%0.59827%0.265SS*.THydrogen-bonded Turntrans62.923.2-178.9-53-170.6153.500115.1I7 S33I7-E35 HydrophobicContact CG1-CB 4.38Å; I7-E35 WeakPolarHBondContact CG1-O 3.24Å; I7-E35 WeakPolarHBondContact CG2-O 3.43Å; S33-E35 PolarHBondContact O-N 3.49Å; S33-E35 VanDerWaalsContact O-N 3.17Å
36E93.9Very high95Very high102 Ų10257.4 Ų57.448%0.47730%0.296SS..EExtended strand (participates in β ladder)trans-128.8150.5173.9-60.9-170.2140.600111.2T10 I32 S33 N34T10-E36 HydrophobicContact CG2-CB 3.86Å; T10-E36 WeakPolarHBondContact CG2-OE2 3.36Å; I32-E36 WeakPolarHBondContact CA-O 3.47Å; S33-E36 PolarHBondContact N-O 3.1Å; S33-E36 PolarHBondContact O-N 2.95Å; N34-E36 PolarHBondContact O-N 3.4Å
37L95.5Very high94.8Very high0 Ų061.7 Ų61.70%032%0.316CS..EExtended strand (participates in β ladder)trans-81.8123.4170.9-66.5158.7000109.4I7 N8 A9 T10 L13 I30 I32 Y68 T104 L108I7-L37 HydrophobicContact CG2-CG 4.05Å; N8-L37 PolarHBondContact O-N 3.05Å; A9-L37 HydrophobicContact CB-CB 4.38Å; A9-L37 HydrophobicContact CB-CD1 4.44Å; T10-L37 PolarHBondContact N-O 2.98Å; T10-L37 PolarHBondContact OG1-O 3.23Å; L13-L37 HydrophobicContact CD2-CB 3.62Å; L13-L37 WeakPolarHBondContact CD2-O 3.18Å; I30-L37 HydrophobicContact CG2-CB 4.22Å; I30-L37 HydrophobicContact CG2-CD2 3.93Å; I32-L37 HydrophobicContact CD1-CD2 4.42Å; I32-L37 HydrophobicContact CG1-CD2 3.69Å; L37-Y68 HydrophobicContact CD2-CD2 4.12Å; L37-Y68 HydrophobicContact CD2-CE2 3.78Å; L37-T104 HydrophobicContact CD1-CG2 3.83Å; L37-T104 HydrophobicContact CD2-CG2 3.87Å; L37-T104 HydrophobicContact CG-CG2 3.97Å; L37-L108 HydrophobicContact CD1-CB 4.04Å; L37-L108 HydrophobicContact CD1-CD1 4.3Å
38V96.6Very high94.7Very high34 Ų3463.5 Ų63.521%0.20633%0.329CS..EExtended strand (participates in β ladder)trans-127.3150.6-178.7-61.40000110.9T10 I30 I31T10-V38 HydrophobicContact CG2-CG1 3.86Å; I30-V38 WeakPolarHBondContact CA-O 3.41Å; I31-V38 HydrophobicContact CD1-CG2 4.24Å; I31-V38 HydrophobicContact CG1-CG2 3.56Å; I31-V38 PolarHBondContact N-O 2.97Å; I31-V38 PolarHBondContact O-N 3.24Å
39L96.3Very high94.6Very high55 Ų5565.8 Ų65.829%0.28834%0.338SS..EExtended strand (participates in β ladder)trans-75.6126.3171.4-17769.6000108.9L13 F16 M28 F42L13-L39 HydrophobicContact CD1-CB 4.14Å; F16-L39 HydrophobicContact CD1-CD1 3.94Å; F16-L39 HydrophobicContact CD1-CD2 3.82Å; F16-L39 HydrophobicContact CD1-CG 4.49Å; F16-L39 HydrophobicContact CD2-CD2 3.84Å; F16-L39 HydrophobicContact CE1-CD1 3.77Å; F16-L39 HydrophobicContact CE1-CD2 3.84Å; F16-L39 HydrophobicContact CE1-CG 4.49Å; F16-L39 HydrophobicContact CE2-CD2 3.86Å; F16-L39 HydrophobicContact CG-CD2 3.81Å; F16-L39 HydrophobicContact CZ-CD1 4.42Å; F16-L39 HydrophobicContact CZ-CD2 3.86Å; M28-L39 HydrophobicContact CB-CD1 3.88Å; L39-F42 HydrophobicContact CD2-CD1 4Å
40D95.6Very high94.4Very high75 Ų7568 Ų6840%0.40135%0.35SS..EExtended strand (participates in β ladder)trans-93.7-54.5176.2-178.351.9000110.8K29 I31K29-D40 HydrophobicContact CB-CB 4.31Å; K29-D40 HydrophobicContact CD-CB 4.32Å; K29-D40 WeakPolarHBondContact CD-OD2 3.46Å; K29-D40 WeakPolarHBondContact CE-OD2 3.37Å; K29-D40 HydrophobicContact CG-CB 4.09Å; K29-D40 IonicContact NZ-OD2 3.52Å; K29-D40 PolarHBondContact NZ-OD2 2.7Å; K29-D40 PolarHBondContact O-N 3.33Å; I31-D40 HydrophobicContact CD1-CB 4.05Å; I31-D40 HydrophobicContact CG1-CB 4.06Å; I31-D40 HydrophobicContact CG2-CB 3.97Å
41S95.1Very high94.2Very high38 Ų3873.7 Ų73.727%0.26638%0.375SS..EExtended strand (participates in β ladder)trans-152.6157.2-178.551.90000111.3M28 K29 L60M28-S41 CarbonylContact C-O 3.53Å; M28-S41 WeakPolarHBondContact CA-O 3.47Å; K29-S41 PolarHBondContact N-O 2.92Å; S41-L60 WeakPolarHBondContact OG-CD2 3.4Å
42F95.9Very high94.2Very high98 Ų9871.8 Ų71.843%0.4337%0.365SS..EExtended strand (participates in β ladder)trans-146.7159.8174.670.8-86.7000110.7F16 I25 I27 M28 L39F16-F42 HydrophobicContact CE1-CB 4.26Å; F16-F42 HydrophobicContact CE2-CD1 4.09Å; F16-F42 HydrophobicContact CE2-CD2 4.41Å; F16-F42 HydrophobicContact CE2-CE1 4.28Å; F16-F42 HydrophobicContact CE2-CG 4.15Å; F16-F42 HydrophobicContact CZ-CB 3.72Å; F16-F42 AromaticContact CZ-CD1 3.89Å; F16-F42 HydrophobicContact CZ-CD1 3.89Å; F16-F42 AromaticContact CZ-CD2 3.99Å; F16-F42 HydrophobicContact CZ-CD2 3.99Å; F16-F42 AromaticContact CZ-CG 3.59Å; F16-F42 HydrophobicContact CZ-CG 3.59Å; I25-F42 HydrophobicContact CD1-CD2 3.73Å; I25-F42 HydrophobicContact CD1-CE2 4.05Å; I25-F42 HydrophobicContact CG2-CB 4.27Å; I27-F42 CarbonylContact O-C 3.57Å; I27-F42 WeakPolarHBondContact O-CA 3.26Å; I27-F42 WeakPolarHBondContact O-CB 3.46Å; M28-F42 HydrophobicContact CB-CB 4.15Å; L39-F42 HydrophobicContact CD2-CD1 4Å
43R95.8Very high94.2Very high103 Ų10370.8 Ų70.839%0.38936%0.36SS..EExtended strand (participates in β ladder)trans-139149.8170.4-55.1-177.4176.8173.91.6111.4R26 I27 Q55 F56R26-R43 PolarHBondContact N-O 3.47Å; I27-R43 HydrophobicContact CG2-CB 3.74Å; I27-R43 HydrophobicContact CG2-CG 4.09Å; I27-R43 PolarHBondContact N-O 3Å; I27-R43 PolarHBondContact O-N 3.38Å; R43-Q55 PolarHBondContact NH1-O 3.45Å; R43-F56 HydrophobicContact CB-CD2 4.17Å; R43-F56 HydrophobicContact CB-CE2 3.93Å; R43-F56 HydrophobicContact CB-CZ 4.43Å; R43-F56 VanDerWaalsContact NH1-CD1 3.34Å
44E94.9Very high94.3Very high125 Ų12571.1 Ų71.158%0.58436%0.358SS*.  trans-82.5155.3173.1-65.4-172.2166.700110.8I25 F56I25-E44 HydrophobicContact CD1-CG 4.5Å; E44-F56 WeakPolarHBondContact O-CE2 3.4Å
45P93.9Very high94.5Very high50 Ų5069.8 Ų69.833%0.32535%0.347SS..  trans-64.4135177.527.5-35.7000111.2S24 R26S24-P45 VanDerWaalsContact O-CD 3.25Å; S24-P45 WeakPolarHBondContact O-CD 3.4Å; R26-P45 HydrophobicContact CB-CB 4.02Å
46V93.1Very high94.8Very high112 Ų11264.3 Ų64.368%0.67932%0.321SS*.  trans-112.6-46177.6178.40000110.1D52 F56V46-D52 PolarHBondContact N-OD2 2.94Å; V46-F56 HydrophobicContact CB-CZ 4.3Å; V46-F56 HydrophobicContact CG2-CZ 3.83Å
47Q92.3Very high94.8Very high94 Ų9459.5 Ų59.544%0.43930%0.298SS..SBendtrans-126.7-161.9177.2-51-170.65.100110.5R26 K51 D52R26-Q47 PolarHBondContact NH2-O 2.9Å; Q47-K51 HydrophobicContact CB-CB 4.16Å; Q47-K51 VanDerWaalsContact OE1-CD 3.26Å; Q47-D52 WeakPolarHBondContact CA-OD1 3.4Å; Q47-D52 VanDerWaalsContact CB-OD1 3.31Å; Q47-D52 WeakPolarHBondContact CB-OD1 3.21Å; Q47-D52 PolarHBondContact N-OD1 2.85Å; Q47-D52 PolarHBondContact N-OD2 2.88Å; Q47-D52 VanDerWaalsContact N-OD2 3.13Å
48S93.4Very high94.8Very high39 Ų3961.9 Ų61.927%0.27331%0.311SS..  trans-65.2150.7170.857.20000110.8D50 K51 D52S48-D50 WeakPolarHBondContact CB-OD1 3.42Å; S48-D50 PolarHBondContact O-N 2.72Å; S48-D50 VanDerWaalsContact O-N 3.08Å; S48-D50 PolarHBondContact OG-OD1 3.22Å; S48-K51 PolarHBondContact O-N 3.23Å; S48-K51 VanDerWaalsContact O-N 3.07Å; S48-D52 PolarHBondContact O-N 3.3Å
49W94.2Very high94.8Very high48 Ų4864.4 Ų64.418%0.18233%0.328CS..Hα-helixtrans-57.4-27.3-174.377.7-85.4000113.6Y53 Y71 L73 D74 F131 Y134W49-Y53 HydrophobicContact CE3-CD2 4.37Å; W49-Y53 HydrophobicContact CZ3-CD2 4.39Å; W49-Y53 WeakPolarHBondContact O-CB 3.43Å; W49-Y53 PolarHBondContact O-N 3.02Å; W49-Y71 HydrophobicContact CB-CE1 4.13Å; W49-Y71 HydrophobicContact CE3-CE1 4.13Å; W49-Y71 PolarHBondContact O-OH 3Å; W49-L73 HydrophobicContact CD2-CD2 3.78Å; W49-L73 HydrophobicContact CE3-CD2 3.42Å; W49-L73 VanDerWaalsContact CE3-CD2 3.42Å; W49-L73 HydrophobicContact CG-CD2 4.39Å; W49-L73 HydrophobicContact CZ3-CD2 3.83Å; W49-D74 HydrophobicContact CG-CB 4.47Å; W49-D74 PolarHBondContact N-OD2 2.98Å; W49-F131 AromaticContact CH2-CE2 3.69Å; W49-F131 HydrophobicContact CH2-CE2 3.69Å; W49-F131 HydrophobicContact CH2-CZ 4.4Å; W49-F131 HydrophobicContact CZ3-CD2 4.32Å; W49-F131 AromaticContact CZ3-CE2 3.72Å; W49-F131 HydrophobicContact CZ3-CE2 3.72Å; W49-Y134 HydrophobicContact CH2-CD1 4.04Å; W49-Y134 AromaticContact CH2-CE1 3.54Å; W49-Y134 HydrophobicContact CH2-CE1 3.54Å; W49-Y134 AromaticContact CZ3-CD1 3.85Å; W49-Y134 HydrophobicContact CZ3-CD1 3.85Å; W49-Y134 AromaticContact CZ3-CE1 3.49Å; W49-Y134 HydrophobicContact CZ3-CE1 3.49Å; W49-Y134 VanDerWaalsContact CZ3-CE1 3.49Å
50D93.8Very high94.6Very high63 Ų6362.6 Ų62.634%0.33732%0.319SS..Hα-helixtrans-74.6-39.8178.559.9-51.1000111.9S48 F131S48-D50 WeakPolarHBondContact CB-OD1 3.42Å; S48-D50 PolarHBondContact O-N 2.72Å; S48-D50 VanDerWaalsContact O-N 3.08Å; S48-D50 PolarHBondContact OG-OD1 3.22Å; D50-F131 HydrophobicContact CB-CE2 3.74Å; D50-F131 HydrophobicContact CB-CZ 3.85Å
51K94Very high94.6Very high120 Ų12059.5 Ų59.552%0.52230%0.302SS..Hα-helixtrans-77.7-35.3-179.6-64.4-178.2-175.21770112.6Q47 S48 Y53Q47-K51 HydrophobicContact CB-CB 4.16Å; Q47-K51 VanDerWaalsContact OE1-CD 3.26Å; S48-K51 PolarHBondContact O-N 3.23Å; S48-K51 VanDerWaalsContact O-N 3.07Å; K51-Y53 VanDerWaalsContact C-N 3.25Å; K51-Y53 PolarHBondContact O-N 3.2Å
52D94.8Very high94.4Very high1 Ų159.7 Ų59.71%0.00530%0.301CS..Hα-helixtrans-69.5-23.9176.5-78.7-4.1000112R26 V46 Q47 S48 F56 Y71R26-D52 HydrophobicContact CG-CB 4.37Å; R26-D52 IonicContact CZ-OD2 2.72Å; R26-D52 IonicContact NE-OD2 2.58Å; R26-D52 PolarHBondContact NE-OD2 3.11Å; R26-D52 IonicContact NH2-OD2 2.83Å; V46-D52 PolarHBondContact N-OD2 2.94Å; Q47-D52 WeakPolarHBondContact CA-OD1 3.4Å; Q47-D52 VanDerWaalsContact CB-OD1 3.31Å; Q47-D52 WeakPolarHBondContact CB-OD1 3.21Å; Q47-D52 PolarHBondContact N-OD1 2.85Å; Q47-D52 PolarHBondContact N-OD2 2.88Å; Q47-D52 VanDerWaalsContact N-OD2 3.13Å; S48-D52 PolarHBondContact O-N 3.3Å; D52-F56 HydrophobicContact CB-CD2 4.23Å; D52-F56 HydrophobicContact CB-CE2 4.23Å; D52-F56 VanDerWaalsContact O-CB 3.25Å; D52-F56 WeakPolarHBondContact O-CB 3.14Å; D52-F56 WeakPolarHBondContact O-CG 3.48Å; D52-F56 PolarHBondContact O-N 3.32Å; D52-F56 VanDerWaalsContact O-N 3.1Å; D52-Y71 VanDerWaalsContact CB-OH 3.28Å; D52-Y71 WeakPolarHBondContact CB-OH 3.46Å
53Y96.1Very high94.1Very high0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-57.4-65.2-163.8-164.6-86.7000113.3W49 K51 Q55 F56 V57 Y71 I86 L129 F131W49-Y53 HydrophobicContact CE3-CD2 4.37Å; W49-Y53 HydrophobicContact CZ3-CD2 4.39Å; W49-Y53 WeakPolarHBondContact O-CB 3.43Å; W49-Y53 PolarHBondContact O-N 3.02Å; K51-Y53 VanDerWaalsContact C-N 3.25Å; K51-Y53 PolarHBondContact O-N 3.2Å; Y53-Q55 VanDerWaalsContact C-N 3.35Å; Y53-Q55 PolarHBondContact O-N 2.94Å; Y53-F56 PolarHBondContact O-N 2.96Å; Y53-V57 HydrophobicContact CD1-CG2 4.2Å; Y53-V57 HydrophobicContact CD2-CG2 4.5Å; Y53-V57 HydrophobicContact CE1-CB 4.44Å; Y53-V57 HydrophobicContact CE1-CG2 4.12Å; Y53-V57 HydrophobicContact CE2-CG2 4.4Å; Y53-V57 HydrophobicContact CG-CG2 4.4Å; Y53-V57 WeakPolarHBondContact O-CB 3.34Å; Y53-V57 VanDerWaalsContact O-CG2 3.31Å; Y53-V57 WeakPolarHBondContact O-CG2 3.35Å; Y53-V57 PolarHBondContact O-N 3.39Å; Y53-Y71 WeakPolarHBondContact CA-OH 3.36Å; Y53-Y71 AromaticContact CD2-CD1 3.68Å; Y53-Y71 HydrophobicContact CD2-CD1 3.68Å; Y53-Y71 HydrophobicContact CD2-CD2 4.41Å; Y53-Y71 AromaticContact CD2-CE1 3.44Å; Y53-Y71 HydrophobicContact CD2-CE1 3.44Å; Y53-Y71 VanDerWaalsContact CD2-CE1 3.44Å; Y53-Y71 HydrophobicContact CD2-CE2 4.21Å; Y53-Y71 HydrophobicContact CD2-CG 4.16Å; Y53-Y71 AromaticContact CD2-CZ 3.71Å; Y53-Y71 AromaticContact CE2-CD1 3.82Å; Y53-Y71 HydrophobicContact CE2-CD1 3.82Å; Y53-Y71 HydrophobicContact CE2-CE1 4.08Å; Y53-Y71 HydrophobicContact CE2-CG 4.13Å; Y53-Y71 HydrophobicContact CG-CE1 4.42Å; Y53-Y71 PolarHBondContact N-OH 3.11Å; Y53-I86 WeakPolarHBondContact OH-CD1 3.44Å; Y53-L129 VanDerWaalsContact CE1-O 3.24Å; Y53-L129 WeakPolarHBondContact CE1-O 3.28Å; Y53-F131 HydrophobicContact CD1-CB 3.88Å; Y53-F131 HydrophobicContact CD1-CD2 4.24Å; Y53-F131 HydrophobicContact CG-CB 4.45Å; Y53-F131 HydrophobicContact CG-CD2 4.06Å
54D95.3Very high93.9Very high58 Ų5860.6 Ų60.631%0.3132%0.319SS..Hα-helixtrans-65.2-39.2-174.8-76.3-22.8000112.4F56 L58 C130 F131D54-F56 PolarHBondContact O-N 3.4Å; D54-L58 HydrophobicContact CB-CD1 3.9Å; D54-L58 HydrophobicContact CB-CG 4.37Å; D54-L58 WeakPolarHBondContact O-CB 3.31Å; D54-L58 WeakPolarHBondContact O-CG 3.42Å; D54-L58 PolarHBondContact O-N 3.09Å; D54-L58 VanDerWaalsContact O-N 3.14Å; D54-C130 WeakPolarHBondContact OD1-CA 3.3Å; D54-F131 WeakPolarHBondContact OD1-CB 3.15Å; D54-F131 PolarHBondContact OD1-N 2.86Å; D54-F131 WeakPolarHBondContact OD2-CB 3.33Å
55Q95.1Very high93.8Very high122 Ų12259.8 Ų59.857%0.5732%0.315SS*.Hα-helixtrans-64.3-24.8-179.7-60.7-176.214.200112.4R43 Y53 P59R43-Q55 PolarHBondContact NH1-O 3.45Å; Y53-Q55 VanDerWaalsContact C-N 3.35Å; Y53-Q55 PolarHBondContact O-N 2.94Å; Q55-P59 WeakPolarHBondContact O-CD 3.21Å; Q55-P59 WeakPolarHBondContact O-CG 3.45Å
56F94.8Very high93.9Very high14 Ų1457.5 Ų57.56%0.06130%0.3CS..Hα-helixtrans-102.5-40-176.9-75.416.3000112.1R26 I27 R43 E44 V46 D52 Y53 D54 L60R26-F56 HydrophobicContact CB-CD2 4.39Å; R26-F56 HydrophobicContact CB-CE2 4.21Å; R26-F56 HydrophobicContact CG-CD2 3.73Å; R26-F56 HydrophobicContact CG-CE2 3.83Å; I27-F56 HydrophobicContact CD1-CB 3.91Å; I27-F56 HydrophobicContact CG2-CB 4.14Å; I27-F56 HydrophobicContact CG2-CD2 3.8Å; I27-F56 HydrophobicContact CG2-CG 4.34Å; R43-F56 HydrophobicContact CB-CD2 4.17Å; R43-F56 HydrophobicContact CB-CE2 3.93Å; R43-F56 HydrophobicContact CB-CZ 4.43Å; R43-F56 VanDerWaalsContact NH1-CD1 3.34Å; E44-F56 WeakPolarHBondContact O-CE2 3.4Å; V46-F56 HydrophobicContact CB-CZ 4.3Å; V46-F56 HydrophobicContact CG2-CZ 3.83Å; D52-F56 HydrophobicContact CB-CD2 4.23Å; D52-F56 HydrophobicContact CB-CE2 4.23Å; D52-F56 VanDerWaalsContact O-CB 3.25Å; D52-F56 WeakPolarHBondContact O-CB 3.14Å; D52-F56 WeakPolarHBondContact O-CG 3.48Å; D52-F56 PolarHBondContact O-N 3.32Å; D52-F56 VanDerWaalsContact O-N 3.1Å; Y53-F56 PolarHBondContact O-N 2.96Å; D54-F56 PolarHBondContact O-N 3.4Å; F56-L60 VanDerWaalsContact O-CD1 3.25Å; F56-L60 WeakPolarHBondContact O-CD1 3.41Å; F56-L60 VanDerWaalsContact O-CG 3.3Å; F56-L60 WeakPolarHBondContact O-CG 3.26Å
57V95.3Very high94.1Very high0 Ų052.2 Ų52.20%027%0.268CS..Hα-helixtrans-77.1-51.5-176.7175.70000111.1I27 Y53 L60 L61 I69 Y71 I86I27-V57 HydrophobicContact CD1-CB 4.49Å; I27-V57 HydrophobicContact CD1-CG2 3.77Å; Y53-V57 HydrophobicContact CD1-CG2 4.2Å; Y53-V57 HydrophobicContact CD2-CG2 4.5Å; Y53-V57 HydrophobicContact CE1-CB 4.44Å; Y53-V57 HydrophobicContact CE1-CG2 4.12Å; Y53-V57 HydrophobicContact CE2-CG2 4.4Å; Y53-V57 HydrophobicContact CG-CG2 4.4Å; Y53-V57 WeakPolarHBondContact O-CB 3.34Å; Y53-V57 VanDerWaalsContact O-CG2 3.31Å; Y53-V57 WeakPolarHBondContact O-CG2 3.35Å; Y53-V57 PolarHBondContact O-N 3.39Å; V57-L60 WeakPolarHBondContact O-CB 3.4Å; V57-L60 PolarHBondContact O-N 2.86Å; V57-L60 VanDerWaalsContact O-N 3.07Å; V57-L61 HydrophobicContact CG1-CD1 4.5Å; V57-I69 HydrophobicContact CG1-CD1 4.46Å; V57-Y71 HydrophobicContact CG2-CD2 3.97Å; V57-Y71 HydrophobicContact CG2-CE2 4.37Å; V57-I86 HydrophobicContact CG1-CD1 4.27Å; V57-I86 HydrophobicContact CG2-CD1 4.31Å
58L95.1Very high94.4Very high51 Ų5147.9 Ų47.927%0.26725%0.248SC..G310 helixtrans-60.7-43.2-171-60176.2000113.5D54 L60 L61 E126 C130D54-L58 HydrophobicContact CB-CD1 3.9Å; D54-L58 HydrophobicContact CB-CG 4.37Å; D54-L58 WeakPolarHBondContact O-CB 3.31Å; D54-L58 WeakPolarHBondContact O-CG 3.42Å; D54-L58 PolarHBondContact O-N 3.09Å; D54-L58 VanDerWaalsContact O-N 3.14Å; L58-L60 PolarHBondContact O-N 3.02Å; L58-L60 VanDerWaalsContact O-N 3.09Å; L58-L61 HydrophobicContact CD2-CD1 4.11Å; L58-L61 PolarHBondContact O-N 3.2Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L58-E126 HydrophobicContact CD2-CB 4.41Å; L58-C130 HydrophobicContact CD2-CB 4.04Å
59P95.3Very high94.6Very high86 Ų8646 Ų4656%0.55824%0.235SC*.G310 helixtrans-66.3-13.9179-22.936.1000114.7Q55Q55-P59 WeakPolarHBondContact O-CD 3.21Å; Q55-P59 WeakPolarHBondContact O-CG 3.45Å
60L94Very high94.7Very high18 Ų1843.7 Ų43.79%0.09423%0.226CC..G310 helixtrans-88.4-14.2178.5-65.6177.2000112.8I27 K29 S41 F56 V57 L58 T62 I69I27-L60 HydrophobicContact CD1-CD1 3.54Å; I27-L60 HydrophobicContact CG1-CD1 4.15Å; K29-L60 HydrophobicContact CB-CD1 4.32Å; K29-L60 HydrophobicContact CD-CB 4.17Å; K29-L60 HydrophobicContact CD-CD2 4.13Å; S41-L60 WeakPolarHBondContact OG-CD2 3.4Å; F56-L60 VanDerWaalsContact O-CD1 3.25Å; F56-L60 WeakPolarHBondContact O-CD1 3.41Å; F56-L60 VanDerWaalsContact O-CG 3.3Å; F56-L60 WeakPolarHBondContact O-CG 3.26Å; V57-L60 WeakPolarHBondContact O-CB 3.4Å; V57-L60 PolarHBondContact O-N 2.86Å; V57-L60 VanDerWaalsContact O-N 3.07Å; L58-L60 PolarHBondContact O-N 3.02Å; L58-L60 VanDerWaalsContact O-N 3.09Å; L60-T62 PolarHBondContact O-N 3.32Å; L60-I69 HydrophobicContact CB-CD1 3.93Å; L60-I69 HydrophobicContact CD1-CD1 4.36Å
61L94.1Very high94.9Very high10 Ų1040.7 Ų40.75%0.05221%0.21CC..  trans-82.4110-179.5-54.2-177.8000109.5V57 L58 I69 W88 E126 L129V57-L61 HydrophobicContact CG1-CD1 4.5Å; L58-L61 HydrophobicContact CD2-CD1 4.11Å; L58-L61 PolarHBondContact O-N 3.2Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L61-I69 HydrophobicContact CD2-CD1 3.78Å; L61-W88 HydrophobicContact CB-CD2 4.34Å; L61-W88 HydrophobicContact CB-CZ2 4.13Å; L61-W88 HydrophobicContact CD1-CE3 4.47Å; L61-W88 HydrophobicContact CD1-CZ3 4.45Å; L61-W88 HydrophobicContact CD2-CB 3.96Å; L61-W88 HydrophobicContact CD2-CD2 3.85Å; L61-W88 HydrophobicContact CD2-CE3 4.22Å; L61-W88 HydrophobicContact CD2-CG 3.77Å; L61-E126 HydrophobicContact CD1-CB 4.45Å; L61-E126 HydrophobicContact CD1-CG 4.11Å; L61-L129 HydrophobicContact CD1-CB 4.07Å; L61-L129 HydrophobicContact CD1-CD1 4.1Å; L61-L129 HydrophobicContact CD2-CD1 3.88Å
62T91.9Very high95Very high41 Ų4135.6 Ų35.625%0.25219%0.187SC..BIsolated β-bridgetrans-99.5136.6175.350.70000110L60 Q64 E65 W88L60-T62 PolarHBondContact O-N 3.32Å; T62-Q64 PolarHBondContact O-N 3.04Å; T62-Q64 VanDerWaalsContact O-N 3.16Å; T62-E65 WeakPolarHBondContact OG1-CB 3.49Å; T62-E65 PolarHBondContact OG1-O 3.02Å; T62-W88 PolarHBondContact O-NE1 3.49Å
63P89.5Confident95Very high85 Ų8535.5 Ų35.555%0.55219%0.187SC*.THydrogen-bonded Turntrans-69.7-16-17125.1-34.2000114.4P90P63-P90 WeakPolarHBondContact O-CB 3.26Å; P63-P90 VanDerWaalsContact O-CG 3.3Å; P63-P90 WeakPolarHBondContact O-CG 3.47Å
64Q90.9Very high94.9Very high135 Ų13538.6 Ų38.663%0.63120%0.203SC*.THydrogen-bonded Turntrans-117.1-4.2-175.6-64.8-173.415.600114.4T62 S93T62-Q64 PolarHBondContact O-N 3.04Å; T62-Q64 VanDerWaalsContact O-N 3.16Å; Q64-S93 WeakPolarHBondContact O-CA 3.4Å; Q64-S93 VanDerWaalsContact O-CB 3.24Å; Q64-S93 WeakPolarHBondContact O-CB 3.3Å
65E92.9Very high94.8Very high109 Ų10937.7 Ų37.751%0.50920%0.202SC..BIsolated β-bridgetrans-129.3122.8-175.4-54.7179.4145.900110.7T62 W88T62-E65 WeakPolarHBondContact OG1-CB 3.49Å; T62-E65 PolarHBondContact OG1-O 3.02Å; E65-W88 VanDerWaalsContact O-CD1 3.32Å; E65-W88 PolarHBondContact O-NE1 3.32Å
66P96.4Very high94.8Very high1 Ų137.7 Ų37.71%0.00620%0.202CC..  trans-68.1151.1172.1-17.932.5000111W88 Q97 K98 Y101P66-W88 CarbonylContact C-O 3.58Å; P66-W88 WeakPolarHBondContact CA-O 3.46Å; P66-W88 VanDerWaalsContact CB-O 3.28Å; P66-W88 WeakPolarHBondContact CB-O 3.47Å; P66-Q97 VanDerWaalsContact CD-OE1 3.28Å; P66-Q97 HydrophobicContact CG-CB 4.07Å; P66-K98 HydrophobicContact CG-CG 4.47Å; P66-Y101 HydrophobicContact CB-CD1 4.19Å; P66-Y101 HydrophobicContact CB-CD2 3.59Å; P66-Y101 HydrophobicContact CB-CE2 3.94Å; P66-Y101 HydrophobicContact CB-CG 3.71Å; P66-Y101 HydrophobicContact CG-CD2 4.01Å; P66-Y101 HydrophobicContact CG-CE2 4.36Å; P66-Y101 WeakPolarHBondContact O-CE1 3.42Å; P66-Y101 PolarHBondContact O-OH 3.46Å; P66-Y101 VanDerWaalsContact O-OH 3.08Å
67C96.7Very high94.6Very high1 Ų139.6 Ų39.61%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-152166.8171.569.30000111.5K29 I31 W88K29-C67 HydrophobicContact CD-CB 4.4Å; K29-C67 HydrophobicContact CG-CB 4.11Å; I31-C67 HydrophobicContact CG2-CB 4.04Å; C67-W88 PolarHBondContact N-O 2.83Å; C67-W88 PolarHBondContact O-N 2.91Å
68Y97.9Very high94.3Very high3 Ų345 Ų451%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-107139.9167.1-51.2-63.2000109.9K29 I30 I32 L37 F85 I86 A87 Y101 T104 R105 L108K29-Y68 CarbonylContact C-O 3.6Å; K29-Y68 WeakPolarHBondContact CA-O 3.35Å; I30-Y68 HydrophobicContact CG2-CD2 4.39Å; I30-Y68 PolarHBondContact N-O 3.32Å; I30-Y68 PolarHBondContact O-N 2.96Å; I32-Y68 HydrophobicContact CD1-CE2 4.36Å; I32-Y68 HydrophobicContact CG1-CE2 4.47Å; L37-Y68 HydrophobicContact CD2-CD2 4.12Å; L37-Y68 HydrophobicContact CD2-CE2 3.78Å; Y68-F85 HydrophobicContact CD1-CE1 4.33Å; Y68-F85 AromaticContact CD1-CZ 3.67Å; Y68-F85 HydrophobicContact CD1-CZ 3.67Å; Y68-F85 HydrophobicContact CE1-CZ 4.19Å; Y68-F85 HydrophobicContact CG-CZ 4.16Å; Y68-I86 WeakPolarHBondContact CA-O 3.37Å; Y68-A87 HydrophobicContact CD1-CB 4.31Å; Y68-Y101 HydrophobicContact CD1-CD1 4.39Å; Y68-Y101 HydrophobicContact CD2-CD1 4.04Å; Y68-Y101 HydrophobicContact CD2-CE1 4.17Å; Y68-Y101 AromaticContact CE1-CD1 3.95Å; Y68-Y101 HydrophobicContact CE1-CD1 3.95Å; Y68-Y101 AromaticContact CE2-CD1 3.6Å; Y68-Y101 HydrophobicContact CE2-CD1 3.6Å; Y68-Y101 HydrophobicContact CE2-CE1 4.02Å; Y68-Y101 HydrophobicContact CG-CD1 4.45Å; Y68-Y101 AromaticContact CZ-CD1 3.57Å; Y68-Y101 VanDerWaalsContact OH-C 3.24Å; Y68-Y101 VanDerWaalsContact OH-CA 3.28Å; Y68-Y101 WeakPolarHBondContact OH-CA 3.48Å; Y68-Y101 PolarHBondContact OH-O 2.97Å; Y68-T104 VanDerWaalsContact OH-C 3.32Å; Y68-T104 WeakPolarHBondContact OH-CB 3.29Å; Y68-R105 HydrophobicContact CE1-CB 4.14Å; Y68-R105 HydrophobicContact CE1-CG 4.43Å; Y68-R105 WeakPolarHBondContact OH-CA 3.33Å; Y68-R105 PolarHBondContact OH-N 3.42Å; Y68-L108 HydrophobicContact CD1-CD2 4.46Å; Y68-L108 HydrophobicContact CD2-CD2 3.31Å; Y68-L108 HydrophobicContact CE2-CD2 3.98Å; Y68-L108 HydrophobicContact CG-CD2 3.56Å
69I97.8Very high94Very high0 Ų048 Ų480%027%0.27CS..EExtended strand (participates in β ladder)trans-124.7130174.9-63.3171.4000107.8I27 M28 K29 V57 L60 L61 I86I27-I69 HydrophobicContact CD1-CG2 3.69Å; I27-I69 HydrophobicContact CG1-CG2 3.59Å; M28-I69 WeakPolarHBondContact O-CA 3.38Å; K29-I69 HydrophobicContact CG-CG1 4.47Å; V57-I69 HydrophobicContact CG1-CD1 4.46Å; L60-I69 HydrophobicContact CB-CD1 3.93Å; L60-I69 HydrophobicContact CD1-CD1 4.36Å; L61-I69 HydrophobicContact CD2-CD1 3.78Å; I69-I86 HydrophobicContact CB-CB 4.05Å; I69-I86 HydrophobicContact CG2-CD1 4.29Å; I69-I86 PolarHBondContact N-O 2.88Å; I69-I86 PolarHBondContact O-N 3.43Å
70L97.3Very high93.8Very high0 Ų044.9 Ų44.90%025%0.253CS..EExtended strand (participates in β ladder)trans-106.3119.2167.7-78.2168000107.7L17 I27 M28 I30 W83 F85 F112L17-L70 HydrophobicContact CD2-CD1 3.92Å; I27-L70 WeakPolarHBondContact CA-O 3.46Å; M28-L70 HydrophobicContact CE-CB 4.44Å; M28-L70 HydrophobicContact CG-CB 3.76Å; M28-L70 HydrophobicContact CG-CD1 4.33Å; M28-L70 PolarHBondContact N-O 3.26Å; M28-L70 PolarHBondContact O-N 3.09Å; M28-L70 HydrophobicContact SD-CB 4.2Å; M28-L70 HydrophobicContact SD-CD1 3.92Å; I30-L70 HydrophobicContact CD1-CD1 4.05Å; L70-W83 HydrophobicContact CB-CE3 3.96Å; L70-W83 HydrophobicContact CB-CZ3 4.29Å; L70-F85 HydrophobicContact CD2-CB 4.18Å; L70-F85 HydrophobicContact CD2-CD2 3.73Å; L70-F85 HydrophobicContact CD2-CG 4.43Å; L70-F85 HydrophobicContact CG-CD2 4.37Å; L70-F112 HydrophobicContact CD1-CB 4.33Å; L70-F112 HydrophobicContact CD1-CD1 4.16Å; L70-F112 HydrophobicContact CD1-CD2 3.68Å; L70-F112 HydrophobicContact CD1-CE1 4.39Å; L70-F112 HydrophobicContact CD1-CE2 3.93Å; L70-F112 HydrophobicContact CD1-CG 3.78Å; L70-F112 HydrophobicContact CD1-CZ 4.27Å; L70-F112 HydrophobicContact CD2-CD1 3.99Å; L70-F112 HydrophobicContact CD2-CE1 4.05Å; L70-F112 HydrophobicContact CD2-CG 4.41Å
71Y97.3Very high93.8Very high0 Ų047.1 Ų47.10%026%0.261CS..EExtended strand (participates in β ladder)trans-114.6124.8-179.2-171.9-92.4000110.9R26 I27 W49 D52 Y53 V57 L73 W83 T84R26-Y71 HydrophobicContact CG-CE2 3.9Å; I27-Y71 HydrophobicContact CB-CD2 3.97Å; I27-Y71 HydrophobicContact CB-CE2 4.44Å; I27-Y71 HydrophobicContact CD1-CD2 3.92Å; I27-Y71 HydrophobicContact CG1-CD2 3.97Å; W49-Y71 HydrophobicContact CB-CE1 4.13Å; W49-Y71 HydrophobicContact CE3-CE1 4.13Å; W49-Y71 PolarHBondContact O-OH 3Å; D52-Y71 VanDerWaalsContact CB-OH 3.28Å; D52-Y71 WeakPolarHBondContact CB-OH 3.46Å; Y53-Y71 WeakPolarHBondContact CA-OH 3.36Å; Y53-Y71 AromaticContact CD2-CD1 3.68Å; Y53-Y71 HydrophobicContact CD2-CD1 3.68Å; Y53-Y71 HydrophobicContact CD2-CD2 4.41Å; Y53-Y71 AromaticContact CD2-CE1 3.44Å; Y53-Y71 HydrophobicContact CD2-CE1 3.44Å; Y53-Y71 VanDerWaalsContact CD2-CE1 3.44Å; Y53-Y71 HydrophobicContact CD2-CE2 4.21Å; Y53-Y71 HydrophobicContact CD2-CG 4.16Å; Y53-Y71 AromaticContact CD2-CZ 3.71Å; Y53-Y71 AromaticContact CE2-CD1 3.82Å; Y53-Y71 HydrophobicContact CE2-CD1 3.82Å; Y53-Y71 HydrophobicContact CE2-CE1 4.08Å; Y53-Y71 HydrophobicContact CE2-CG 4.13Å; Y53-Y71 HydrophobicContact CG-CE1 4.42Å; Y53-Y71 PolarHBondContact N-OH 3.11Å; V57-Y71 HydrophobicContact CG2-CD2 3.97Å; V57-Y71 HydrophobicContact CG2-CE2 4.37Å; Y71-L73 HydrophobicContact CD1-CD2 4.39Å; Y71-W83 VanDerWaalsContact C-CE3 3.49Å; Y71-W83 CarbonylContact O-C 3.56Å; Y71-W83 VanDerWaalsContact O-CA 3.3Å; Y71-W83 WeakPolarHBondContact O-CA 3.23Å; Y71-T84 PolarHBondContact N-O 2.88Å; Y71-T84 PolarHBondContact O-N 3.35Å
72R96.4Very high93.9Very high12 Ų1248.1 Ų48.15%0.04527%0.265CS..EExtended strand (participates in β ladder)trans-83.3129.3-178.6-162.4-166.170.7-154.916.4110.8G23 I25 R26 D74 Y81 W83G23-R72 VanDerWaalsContact C-NH1 3.3Å; G23-R72 PolarHBondContact O-NH1 2.83Å; I25-R72 WeakPolarHBondContact O-CD 3.43Å; I25-R72 PolarHBondContact O-NH1 3.14Å; R26-R72 WeakPolarHBondContact CD-O 3.26Å; R26-R72 PolarHBondContact NH1-O 3.34Å; R26-R72 WeakPolarHBondContact O-CB 3.47Å; R26-R72 PolarHBondContact O-N 3.47Å; R72-D74 IonicContact NH2-OD1 3.95Å; R72-Y81 HydrophobicContact CG-CG 4.28Å; R72-W83 HydrophobicContact CB-CD2 3.99Å; R72-W83 HydrophobicContact CB-CE3 3.8Å; R72-W83 HydrophobicContact CB-CH2 3.64Å; R72-W83 HydrophobicContact CB-CZ2 3.81Å; R72-W83 HydrophobicContact CB-CZ3 3.62Å; R72-W83 HydrophobicContact CG-CD2 4.08Å; R72-W83 HydrophobicContact CG-CE3 4.39Å; R72-W83 HydrophobicContact CG-CH2 4Å; R72-W83 HydrophobicContact CG-CZ2 3.63Å; R72-W83 HydrophobicContact CG-CZ3 4.36Å
73L94.9Very high94.1Very high0 Ų046.2 Ų46.20%025%0.253CS..EExtended strand (participates in β ladder)trans-88.5160.8170.5-57.2165.1000109.9W49 Y71 Y81 E82W49-L73 HydrophobicContact CD2-CD2 3.78Å; W49-L73 HydrophobicContact CE3-CD2 3.42Å; W49-L73 VanDerWaalsContact CE3-CD2 3.42Å; W49-L73 HydrophobicContact CG-CD2 4.39Å; W49-L73 HydrophobicContact CZ3-CD2 3.83Å; Y71-L73 HydrophobicContact CD1-CD2 4.39Å; L73-Y81 WeakPolarHBondContact O-CD1 3.28Å; L73-E82 HydrophobicContact CB-CB 4.42Å; L73-E82 WeakPolarHBondContact CB-O 3.4Å; L73-E82 HydrophobicContact CD1-CB 4.09Å; L73-E82 PolarHBondContact N-O 2.73Å
74D94.5Very high94.4Very high64 Ų6442.1 Ų42.134%0.34223%0.227SC..EExtended strand (participates in β ladder)trans-82.8-5.3174.7-63.4-27.7000112.6R26 W49 R72R26-D74 IonicContact CZ-OD1 3.14Å; R26-D74 VanDerWaalsContact CZ-OD1 3.22Å; R26-D74 IonicContact NH1-OD1 2.73Å; R26-D74 PolarHBondContact NH1-OD1 3.28Å; R26-D74 IonicContact NH2-OD1 3.22Å; R26-D74 PolarHBondContact NH2-OD1 3.23Å; R26-D74 IonicContact NH2-OD2 3.19Å; W49-D74 HydrophobicContact CG-CB 4.47Å; W49-D74 PolarHBondContact N-OD2 2.98Å; R72-D74 IonicContact NH2-OD1 3.95Å
75S93.4Very high94.7Very high39 Ų3935.8 Ų35.827%0.27320%0.197SC..EExtended strand (participates in β ladder)trans-78.6154.7172.5520000112.1E82 R118S75-E82 WeakPolarHBondContact CB-OE2 3.43Å; S75-E82 PolarHBondContact O-N 2.93Å; S75-E82 PolarHBondContact OG-OE2 3.48Å; S75-R118 PolarHBondContact OG-NH1 2.89Å
76Q93.3Very high95Very high123 Ų12330.6 Ų30.658%0.57517%0.173SC*.EExtended strand (participates in β ladder)trans-129.9152.1-179.3-62.1-176.35.200111.1G80 Y81Q76-G80 CarbonylContact C-O 3.57Å; Q76-G80 WeakPolarHBondContact CA-O 3.47Å; Q76-G80 WeakPolarHBondContact CB-O 3.23Å; Q76-Y81 HydrophobicContact CG-CD1 3.73Å; Q76-Y81 HydrophobicContact CG-CE1 3.93Å; Q76-Y81 HydrophobicContact CG-CG 4.16Å; Q76-Y81 VanDerWaalsContact NE2-CE1 3.3Å; Q76-Y81 PolarHBondContact NE2-OH 2.87Å
77N91.4Very high95Very high54 Ų5430.9 Ų30.929%0.28918%0.175SC..EExtended strand (participates in β ladder)trans-124.1-173.9170.372.716.8000110.3Q79 G80 E82 G115N77-Q79 PolarHBondContact O-N 2.88Å; N77-Q79 WeakPolarHBondContact OD1-CA 3.43Å; N77-Q79 WeakPolarHBondContact OD1-CB 3.2Å; N77-Q79 PolarHBondContact OD1-N 3.31Å; N77-G80 PolarHBondContact N-O 3.37Å; N77-G80 PolarHBondContact O-N 2.94Å; N77-G80 PolarHBondContact OD1-N 3Å; N77-G80 PolarHBondContact OD1-O 2.84Å; N77-E82 HydrophobicContact CB-CG 4.15Å; N77-G115 PolarHBondContact ND2-O 3.21Å
78A89.9Confident95Very high113 Ų11331.2 Ų31.293%0.93418%0.176SC*.THydrogen-bonded Turntrans-58.7-16.7-178.800000115
79Q87.2Confident95Very high115 Ų11531.8 Ų31.854%0.53718%0.181SC..THydrogen-bonded Turntrans-101-12.1179.2-58.6-174.29.600113.4N77 G115 H116N77-Q79 PolarHBondContact O-N 2.88Å; N77-Q79 WeakPolarHBondContact OD1-CA 3.43Å; N77-Q79 WeakPolarHBondContact OD1-CB 3.2Å; N77-Q79 PolarHBondContact OD1-N 3.31Å; Q79-G115 VanDerWaalsContact OE1-CA 3.28Å; Q79-H116 PolarHBondContact O-NE2 3.38Å
80G91.2Very high94.9Very high20 Ų2032 Ų3221%0.20618%0.182CC..EExtended strand (participates in β ladder)trans132.5-150.3-179.400000112.4Q76 N77Q76-G80 CarbonylContact C-O 3.57Å; Q76-G80 WeakPolarHBondContact CA-O 3.47Å; Q76-G80 WeakPolarHBondContact CB-O 3.23Å; N77-G80 PolarHBondContact N-O 3.37Å; N77-G80 PolarHBondContact O-N 2.94Å; N77-G80 PolarHBondContact OD1-N 3Å; N77-G80 PolarHBondContact OD1-O 2.84Å
81Y94.7Very high94.7Very high64 Ų6437 Ų3725%0.25121%0.209SC..EExtended strand (participates in β ladder)trans-60.9141.6176.6-74.2-79.5000112.3R72 L73 Q76 W83R72-Y81 HydrophobicContact CG-CG 4.28Å; L73-Y81 WeakPolarHBondContact O-CD1 3.28Å; Q76-Y81 HydrophobicContact CG-CD1 3.73Å; Q76-Y81 HydrophobicContact CG-CE1 3.93Å; Q76-Y81 HydrophobicContact CG-CG 4.16Å; Q76-Y81 VanDerWaalsContact NE2-CE1 3.3Å; Q76-Y81 PolarHBondContact NE2-OH 2.87Å; Y81-W83 PolarHBondContact O-NE1 3.06Å
82E95.5Very high94.5Very high32 Ų3244.6 Ų44.615%0.1525%0.245CC..EExtended strand (participates in β ladder)trans-82.6147.1173.3-62.8-173133.600111.2L73 S75 N77 H116 R118L73-E82 HydrophobicContact CB-CB 4.42Å; L73-E82 WeakPolarHBondContact CB-O 3.4Å; L73-E82 HydrophobicContact CD1-CB 4.09Å; L73-E82 PolarHBondContact N-O 2.73Å; S75-E82 WeakPolarHBondContact CB-OE2 3.43Å; S75-E82 PolarHBondContact O-N 2.93Å; S75-E82 PolarHBondContact OG-OE2 3.48Å; N77-E82 HydrophobicContact CB-CG 4.15Å; E82-H116 CarbonylContact C-O 3.57Å; E82-H116 WeakPolarHBondContact CA-O 3.43Å; E82-R118 HydrophobicContact CB-CB 4.21Å; E82-R118 WeakPolarHBondContact OE2-CD 3.3Å; E82-R118 IonicContact OE2-CZ 2.72Å; E82-R118 IonicContact OE2-NE 3.35Å; E82-R118 IonicContact OE2-NH1 3.02Å; E82-R118 PolarHBondContact OE2-NH1 3.17Å
83W96.5Very high94.3Very high0 Ų044.3 Ų44.30%024%0.244CC..EExtended strand (participates in β ladder)trans-127.8146.4-177.1-65.174.2000111A20 I25 M28 L70 Y71 R72 Y81 F112 H116 I117 R118A20-W83 HydrophobicContact CB-CH2 4.1Å; A20-W83 HydrophobicContact CB-CZ2 4.3Å; A20-W83 WeakPolarHBondContact O-CZ2 2.92Å; I25-W83 HydrophobicContact CB-CH2 4.4Å; I25-W83 WeakPolarHBondContact O-CH2 3.29Å; M28-W83 HydrophobicContact CE-CE3 4.49Å; M28-W83 HydrophobicContact CE-CH2 3.58Å; M28-W83 HydrophobicContact CE-CZ3 3.52Å; L70-W83 HydrophobicContact CB-CE3 3.96Å; L70-W83 HydrophobicContact CB-CZ3 4.29Å; Y71-W83 VanDerWaalsContact C-CE3 3.49Å; Y71-W83 CarbonylContact O-C 3.56Å; Y71-W83 VanDerWaalsContact O-CA 3.3Å; Y71-W83 WeakPolarHBondContact O-CA 3.23Å; R72-W83 HydrophobicContact CB-CD2 3.99Å; R72-W83 HydrophobicContact CB-CE3 3.8Å; R72-W83 HydrophobicContact CB-CH2 3.64Å; R72-W83 HydrophobicContact CB-CZ2 3.81Å; R72-W83 HydrophobicContact CB-CZ3 3.62Å; R72-W83 HydrophobicContact CG-CD2 4.08Å; R72-W83 HydrophobicContact CG-CE3 4.39Å; R72-W83 HydrophobicContact CG-CH2 4Å; R72-W83 HydrophobicContact CG-CZ2 3.63Å; R72-W83 HydrophobicContact CG-CZ3 4.36Å; Y81-W83 PolarHBondContact O-NE1 3.06Å; W83-F112 HydrophobicContact CB-CE1 3.98Å; W83-F112 HydrophobicContact CB-CZ 4.36Å; W83-F112 AromaticContact CD1-CE1 3.91Å; W83-F112 AromaticContact CD1-CZ 3.75Å; W83-F112 HydrophobicContact CD2-CE1 4.17Å; W83-F112 AromaticContact CD2-CZ 3.63Å; W83-F112 HydrophobicContact CD2-CZ 3.63Å; W83-F112 AromaticContact CE2-CZ 3.75Å; W83-F112 HydrophobicContact CE3-CZ 4.23Å; W83-F112 AromaticContact CG-CE1 3.73Å; W83-F112 HydrophobicContact CG-CE1 3.73Å; W83-F112 AromaticContact CG-CZ 3.66Å; W83-F112 HydrophobicContact CG-CZ 3.66Å; W83-F112 HydrophobicContact CZ2-CZ 4.43Å; W83-F112 AromaticContact NE1-CZ 3.81Å; W83-H116 PolarHBondContact N-O 2.88Å; W83-I117 CarbonylContact O-C 3.56Å; W83-I117 WeakPolarHBondContact O-CA 3.3Å; W83-R118 PolarHBondContact O-N 3.21Å
84T96.4Very high94.4Very high0 Ų047.7 Ų47.70%027%0.267CS..EExtended strand (participates in β ladder)trans-98.2123.1166.1-54.20000107.9Y71 I86 D119 M121 Y134Y71-T84 PolarHBondContact N-O 2.88Å; Y71-T84 PolarHBondContact O-N 3.35Å; T84-I86 HydrophobicContact CG2-CD1 4.43Å; T84-I86 HydrophobicContact CG2-CG1 3.91Å; T84-D119 WeakPolarHBondContact CA-O 3.46Å; T84-D119 HydrophobicContact CG2-CB 4.15Å; T84-M121 HydrophobicContact CG2-CG 4.21Å; T84-M121 HydrophobicContact CG2-SD 4.21Å; T84-Y134 HydrophobicContact CG2-CD2 4.49Å; T84-Y134 HydrophobicContact CG2-CE2 4.15Å
85F97.6Very high94.4Very high1 Ų149.9 Ų49.90%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-92.1121.2172179.5-84.8000108.8Y68 L70 A87 R105 L108 K109 I117 D119 E120 M121Y68-F85 HydrophobicContact CD1-CE1 4.33Å; Y68-F85 AromaticContact CD1-CZ 3.67Å; Y68-F85 HydrophobicContact CD1-CZ 3.67Å; Y68-F85 HydrophobicContact CE1-CZ 4.19Å; Y68-F85 HydrophobicContact CG-CZ 4.16Å; L70-F85 HydrophobicContact CD2-CB 4.18Å; L70-F85 HydrophobicContact CD2-CD2 3.73Å; L70-F85 HydrophobicContact CD2-CG 4.43Å; L70-F85 HydrophobicContact CG-CD2 4.37Å; F85-A87 HydrophobicContact CE1-CB 4.04Å; F85-R105 HydrophobicContact CE1-CG 3.66Å; F85-R105 HydrophobicContact CZ-CG 3.8Å; F85-L108 HydrophobicContact CE2-CD2 3.8Å; F85-L108 HydrophobicContact CE2-CG 4.1Å; F85-L108 HydrophobicContact CZ-CD2 4.34Å; F85-K109 HydrophobicContact CD1-CD 4.2Å; F85-K109 HydrophobicContact CD1-CG 4.4Å; F85-K109 HydrophobicContact CD2-CD 4.46Å; F85-K109 HydrophobicContact CD2-CG 3.86Å; F85-K109 HydrophobicContact CE1-CD 4.34Å; F85-K109 HydrophobicContact CE1-CG 4.34Å; F85-K109 HydrophobicContact CE2-CG 3.82Å; F85-K109 HydrophobicContact CG-CD 4.27Å; F85-K109 HydrophobicContact CG-CG 4.16Å; F85-K109 HydrophobicContact CZ-CG 4.07Å; F85-I117 HydrophobicContact CB-CD1 4.19Å; F85-I117 HydrophobicContact CB-CG2 3.72Å; F85-I117 HydrophobicContact CD2-CD1 4.35Å; F85-D119 PolarHBondContact N-O 3.37Å; F85-E120 HydrophobicContact CD1-CG 4.02Å; F85-E120 CarbonylContact O-C 3.56Å; F85-E120 WeakPolarHBondContact O-CA 3.28Å; F85-M121 PolarHBondContact O-N 2.9Å
86I97.6Very high94.4Very high0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-115.8121.1-178-59.5171.1000108Y53 V57 Y68 I69 T84 M121 L129Y53-I86 WeakPolarHBondContact OH-CD1 3.44Å; V57-I86 HydrophobicContact CG1-CD1 4.27Å; V57-I86 HydrophobicContact CG2-CD1 4.31Å; Y68-I86 WeakPolarHBondContact CA-O 3.37Å; I69-I86 HydrophobicContact CB-CB 4.05Å; I69-I86 HydrophobicContact CG2-CD1 4.29Å; I69-I86 PolarHBondContact N-O 2.88Å; I69-I86 PolarHBondContact O-N 3.43Å; T84-I86 HydrophobicContact CG2-CD1 4.43Å; T84-I86 HydrophobicContact CG2-CG1 3.91Å; I86-M121 WeakPolarHBondContact CA-O 3.28Å; I86-M121 HydrophobicContact CG1-CB 4.36Å; I86-L129 HydrophobicContact CG2-CD1 3.51Å; I86-L129 HydrophobicContact CG2-CD2 3.63Å; I86-L129 HydrophobicContact CG2-CG 4.12Å
87A97.3Very high94.4Very high7 Ų754.3 Ų54.36%0.05829%0.29CS..EExtended strand (participates in β ladder)trans-102.4107.5169.700000109.4Y68 F85 M121 F122 G123Y68-A87 HydrophobicContact CD1-CB 4.31Å; F85-A87 HydrophobicContact CE1-CB 4.04Å; A87-M121 PolarHBondContact N-O 3.46Å; A87-F122 HydrophobicContact CB-CD2 4.04Å; A87-F122 WeakPolarHBondContact O-CA 2.91Å; A87-G123 PolarHBondContact O-N 3.49Å
88W97.5Very high94.5Very high8 Ų854.3 Ų54.33%0.0329%0.288CS..EExtended strand (participates in β ladder)trans-90.3123.2173.2174.3-117.4000109.7L61 T62 E65 P66 C67 P90 G123 T124 V125 E126 L129L61-W88 HydrophobicContact CB-CD2 4.34Å; L61-W88 HydrophobicContact CB-CZ2 4.13Å; L61-W88 HydrophobicContact CD1-CE3 4.47Å; L61-W88 HydrophobicContact CD1-CZ3 4.45Å; L61-W88 HydrophobicContact CD2-CB 3.96Å; L61-W88 HydrophobicContact CD2-CD2 3.85Å; L61-W88 HydrophobicContact CD2-CE3 4.22Å; L61-W88 HydrophobicContact CD2-CG 3.77Å; T62-W88 PolarHBondContact O-NE1 3.49Å; E65-W88 VanDerWaalsContact O-CD1 3.32Å; E65-W88 PolarHBondContact O-NE1 3.32Å; P66-W88 CarbonylContact C-O 3.58Å; P66-W88 WeakPolarHBondContact CA-O 3.46Å; P66-W88 VanDerWaalsContact CB-O 3.28Å; P66-W88 WeakPolarHBondContact CB-O 3.47Å; C67-W88 PolarHBondContact N-O 2.83Å; C67-W88 PolarHBondContact O-N 2.91Å; W88-P90 HydrophobicContact CH2-CB 4.19Å; W88-P90 HydrophobicContact CZ2-CB 3.63Å; W88-P90 HydrophobicContact CZ2-CG 4Å; W88-G123 VanDerWaalsContact CE3-O 3.28Å; W88-T124 WeakPolarHBondContact CH2-O 3.45Å; W88-V125 VanDerWaalsContact CZ3-C 3.42Å; W88-V125 WeakPolarHBondContact CZ3-O 3.39Å; W88-E126 HydrophobicContact CH2-CG 4.28Å; W88-L129 HydrophobicContact CB-CD1 4.15Å; W88-L129 HydrophobicContact CD2-CD1 4.21Å; W88-L129 HydrophobicContact CE3-CD1 3.42Å; W88-L129 VanDerWaalsContact CE3-CD1 3.42Å; W88-L129 HydrophobicContact CE3-CG 4.36Å; W88-L129 HydrophobicContact CZ3-CD1 4.1Å
89S96.8Very high94.7Very high15 Ų1555.5 Ų55.511%0.10528%0.275CS..  trans-145.679.9178.1175.90000109.9G123 T124S89-G123 PolarHBondContact N-O 2.91Å; S89-T124 WeakPolarHBondContact O-CG2 3.18Å
90P96.1Very high95Very high5 Ų551.8 Ų51.83%0.03226%0.259CS..  trans-66.6146.6-174.227.7-32.5000111P63 W88 Q92 S93 T124P63-P90 WeakPolarHBondContact O-CB 3.26Å; P63-P90 VanDerWaalsContact O-CG 3.3Å; P63-P90 WeakPolarHBondContact O-CG 3.47Å; W88-P90 HydrophobicContact CH2-CB 4.19Å; W88-P90 HydrophobicContact CZ2-CB 3.63Å; W88-P90 HydrophobicContact CZ2-CG 4Å; P90-Q92 PolarHBondContact O-N 2.81Å; P90-S93 WeakPolarHBondContact O-CB 3.41Å; P90-S93 PolarHBondContact O-N 2.85Å; P90-S93 PolarHBondContact O-OG 2.98Å; P90-T124 WeakPolarHBondContact CA-O 3.34Å
91D92.4Very high95.2Very high104 Ų10451.8 Ų51.856%0.55625%0.253SS*.THydrogen-bonded Turntrans-62.5-29.4-175-75.2-42.4000113.3S93 K98D91-S93 PolarHBondContact O-N 3.05Å; D91-K98 PolarHBondContact O-NZ 3.29Å
92Q93.1Very high95.1Very high161 Ų16152 Ų5275%0.75227%0.267SS*.THydrogen-bonded Turntrans-73.7-9.2178.5-57.5-62.2-8.600114P90P90-Q92 PolarHBondContact O-N 2.81Å
93S93.8Very high95Very high5 Ų551.4 Ų51.44%0.03527%0.268CS..SBendtrans-72.6149.5177.160.60000112.6Q64 P90 D91 V95 K98Q64-S93 WeakPolarHBondContact O-CA 3.4Å; Q64-S93 VanDerWaalsContact O-CB 3.24Å; Q64-S93 WeakPolarHBondContact O-CB 3.3Å; P90-S93 WeakPolarHBondContact O-CB 3.41Å; P90-S93 PolarHBondContact O-N 2.85Å; P90-S93 PolarHBondContact O-OG 2.98Å; D91-S93 PolarHBondContact O-N 3.05Å; S93-V95 PolarHBondContact O-N 3.39Å; S93-K98 WeakPolarHBondContact O-CE 3.34Å; S93-K98 PolarHBondContact O-NZ 2.73Å; S93-K98 VanDerWaalsContact OG-CD 3.3Å; S93-K98 WeakPolarHBondContact OG-CD 3.48Å; S93-K98 WeakPolarHBondContact OG-CG 3.47Å
94P95.3Very high95Very high72 Ų7251.4 Ų51.447%0.46827%0.268SS..  trans-56.4138176.8-25.634.2000112.9R96 Q97 K98P94-R96 PolarHBondContact O-N 2.96Å; P94-R96 VanDerWaalsContact O-N 3.16Å; P94-Q97 HydrophobicContact CB-CG 4.5Å; P94-Q97 WeakPolarHBondContact O-CB 3.35Å; P94-Q97 PolarHBondContact O-N 3.24Å; P94-K98 PolarHBondContact O-N 2.96Å; P94-K98 VanDerWaalsContact O-N 3.12Å
95V95Very high94.8Very high110 Ų11055.7 Ų55.767%0.66728%0.284SS*.Hα-helixtrans-54.6-39.8-177.5178.40000112.5S93 Q97 K98 M99S93-V95 PolarHBondContact O-N 3.39Å; V95-Q97 VanDerWaalsContact C-N 3.31Å; V95-Q97 PolarHBondContact O-N 2.88Å; V95-K98 PolarHBondContact O-N 3.16Å; V95-M99 WeakPolarHBondContact O-CB 3.43Å; V95-M99 PolarHBondContact O-N 3.18Å
96R93.1Very high94.6Very high188 Ų18858 Ų5871%0.70930%0.303SS*.Hα-helixtrans-58.4-42.2177.1-178.4177.1174.9169.7-1.2112P94 M100P94-R96 PolarHBondContact O-N 2.96Å; P94-R96 VanDerWaalsContact O-N 3.16Å; R96-M100 WeakPolarHBondContact O-CB 3.35Å; R96-M100 PolarHBondContact O-N 2.84Å; R96-M100 VanDerWaalsContact O-N 3.09Å
97Q93.1Very high94.4Very high67 Ų6758.5 Ų58.531%0.31331%0.306SS..Hα-helixtrans-68.5-48.4177.6-69.5-176-12.100110.5P66 P94 V95 M99 M100 Y101P66-Q97 VanDerWaalsContact CD-OE1 3.28Å; P66-Q97 HydrophobicContact CG-CB 4.07Å; P94-Q97 HydrophobicContact CB-CG 4.5Å; P94-Q97 WeakPolarHBondContact O-CB 3.35Å; P94-Q97 PolarHBondContact O-N 3.24Å; V95-Q97 VanDerWaalsContact C-N 3.31Å; V95-Q97 PolarHBondContact O-N 2.88Å; Q97-M99 VanDerWaalsContact C-N 3.26Å; Q97-M99 PolarHBondContact O-N 3.49Å; Q97-M100 WeakPolarHBondContact O-CB 3.36Å; Q97-M100 PolarHBondContact O-N 2.92Å; Q97-Y101 HydrophobicContact CB-CD2 4.49Å; Q97-Y101 WeakPolarHBondContact O-CD2 3Å; Q97-Y101 PolarHBondContact O-N 3.34Å
98K94.4Very high94.2Very high54 Ų5458.1 Ų58.124%0.23530%0.304CS..Hα-helixtrans-52.6-45.4176.7-66.1-168.7-77-160.80112.2P66 D91 S93 P94 V95 A102P66-K98 HydrophobicContact CG-CG 4.47Å; D91-K98 PolarHBondContact O-NZ 3.29Å; S93-K98 WeakPolarHBondContact O-CE 3.34Å; S93-K98 PolarHBondContact O-NZ 2.73Å; S93-K98 VanDerWaalsContact OG-CD 3.3Å; S93-K98 WeakPolarHBondContact OG-CD 3.48Å; S93-K98 WeakPolarHBondContact OG-CG 3.47Å; P94-K98 PolarHBondContact O-N 2.96Å; P94-K98 VanDerWaalsContact O-N 3.12Å; V95-K98 PolarHBondContact O-N 3.16Å; K98-A102 VanDerWaalsContact O-CB 3.29Å; K98-A102 WeakPolarHBondContact O-CB 3.48Å; K98-A102 PolarHBondContact O-N 3.15Å
99M93.5Very high94Very high137 Ų13760 Ų6068%0.67531%0.312SS*.Hα-helixtrans-64.8-43178.8-159.5-174.998.800112V95 Q97 A102 A103V95-M99 WeakPolarHBondContact O-CB 3.43Å; V95-M99 PolarHBondContact O-N 3.18Å; Q97-M99 VanDerWaalsContact C-N 3.26Å; Q97-M99 PolarHBondContact O-N 3.49Å; M99-A102 PolarHBondContact O-N 2.92Å; M99-A103 VanDerWaalsContact O-CB 3.3Å; M99-A103 WeakPolarHBondContact O-CB 3.31Å; M99-A103 PolarHBondContact O-N 3.4Å
100M93.5Very high93.8Very high37 Ų3766.5 Ų66.518%0.18234%0.338CS..Hα-helixtrans-62.1-49.9177.7-170.1-173.9-72.100111.3T5 I7 I32 R96 Q97 A102 A103 T104T5-M100 HydrophobicContact CG2-CG 4.41Å; I7-M100 HydrophobicContact CD1-CG 3.64Å; I7-M100 HydrophobicContact CD1-SD 3.86Å; I32-M100 HydrophobicContact CB-SD 4.2Å; I32-M100 HydrophobicContact CD1-CG 3.84Å; I32-M100 HydrophobicContact CD1-SD 4.2Å; I32-M100 HydrophobicContact CG2-CG 4.4Å; I32-M100 HydrophobicContact CG2-SD 3.5Å; I32-M100 WeakPolarHBondContact CG2-SD 3.47Å; R96-M100 WeakPolarHBondContact O-CB 3.35Å; R96-M100 PolarHBondContact O-N 2.84Å; R96-M100 VanDerWaalsContact O-N 3.09Å; Q97-M100 WeakPolarHBondContact O-CB 3.36Å; Q97-M100 PolarHBondContact O-N 2.92Å; M100-A102 VanDerWaalsContact C-N 3.35Å; M100-A102 PolarHBondContact O-N 2.91Å; M100-A103 PolarHBondContact O-N 3.29Å; M100-T104 WeakPolarHBondContact O-CB 3.24Å; M100-T104 PolarHBondContact O-N 2.51Å; M100-T104 PolarHBondContact O-OG1 3.19Å
101Y95.1Very high93.6Very high21 Ų2168.8 Ų68.88%0.08235%0.348CS..Hα-helixtrans-67.6-30.4177.5-80.3-90.9000112.9I31 I32 P66 Y68 Q97 R105I31-Y101 WeakPolarHBondContact CA-OH 3.49Å; I31-Y101 WeakPolarHBondContact CB-OH 3.35Å; I32-Y101 HydrophobicContact CB-CE1 4.38Å; I32-Y101 HydrophobicContact CB-CE2 4.27Å; I32-Y101 HydrophobicContact CD1-CD1 3.91Å; I32-Y101 HydrophobicContact CD1-CD2 4.11Å; I32-Y101 HydrophobicContact CD1-CE1 4.02Å; I32-Y101 HydrophobicContact CD1-CE2 4.27Å; I32-Y101 HydrophobicContact CD1-CG 3.95Å; I32-Y101 HydrophobicContact CG1-CD1 4.24Å; I32-Y101 HydrophobicContact CG1-CE1 3.85Å; I32-Y101 HydrophobicContact CG1-CE2 4.39Å; I32-Y101 PolarHBondContact N-OH 3.5Å; P66-Y101 HydrophobicContact CB-CD1 4.19Å; P66-Y101 HydrophobicContact CB-CD2 3.59Å; P66-Y101 HydrophobicContact CB-CE2 3.94Å; P66-Y101 HydrophobicContact CB-CG 3.71Å; P66-Y101 HydrophobicContact CG-CD2 4.01Å; P66-Y101 HydrophobicContact CG-CE2 4.36Å; P66-Y101 WeakPolarHBondContact O-CE1 3.42Å; P66-Y101 PolarHBondContact O-OH 3.46Å; P66-Y101 VanDerWaalsContact O-OH 3.08Å; Y68-Y101 HydrophobicContact CD1-CD1 4.39Å; Y68-Y101 HydrophobicContact CD2-CD1 4.04Å; Y68-Y101 HydrophobicContact CD2-CE1 4.17Å; Y68-Y101 AromaticContact CE1-CD1 3.95Å; Y68-Y101 HydrophobicContact CE1-CD1 3.95Å; Y68-Y101 AromaticContact CE2-CD1 3.6Å; Y68-Y101 HydrophobicContact CE2-CD1 3.6Å; Y68-Y101 HydrophobicContact CE2-CE1 4.02Å; Y68-Y101 HydrophobicContact CG-CD1 4.45Å; Y68-Y101 AromaticContact CZ-CD1 3.57Å; Y68-Y101 VanDerWaalsContact OH-C 3.24Å; Y68-Y101 VanDerWaalsContact OH-CA 3.28Å; Y68-Y101 WeakPolarHBondContact OH-CA 3.48Å; Y68-Y101 PolarHBondContact OH-O 2.97Å; Q97-Y101 HydrophobicContact CB-CD2 4.49Å; Q97-Y101 WeakPolarHBondContact O-CD2 3Å; Q97-Y101 PolarHBondContact O-N 3.34Å; Y101-R105 PolarHBondContact O-N 2.87Å
102A93.9Very high93.6Very high68 Ų6863.8 Ų63.856%0.56232%0.322SS*.Hα-helixtrans-66.9-43.7171.800000111.6K98 M99 M100K98-A102 VanDerWaalsContact O-CB 3.29Å; K98-A102 WeakPolarHBondContact O-CB 3.48Å; K98-A102 PolarHBondContact O-N 3.15Å; M99-A102 PolarHBondContact O-N 2.92Å; M100-A102 VanDerWaalsContact C-N 3.35Å; M100-A102 PolarHBondContact O-N 2.91Å
103A93.9Very high93.6Very high20 Ų2057.1 Ų57.117%0.16530%0.296CS..Hα-helixtrans-75.9-26.6-176.200000114.3H3 T5 M99 M100H3-A103 WeakPolarHBondContact O-CB 3.46Å; T5-A103 HydrophobicContact CG2-CB 3.55Å; M99-A103 VanDerWaalsContact O-CB 3.3Å; M99-A103 WeakPolarHBondContact O-CB 3.31Å; M99-A103 PolarHBondContact O-N 3.4Å; M100-A103 PolarHBondContact O-N 3.29Å
104T95Very high93.4Very high0 Ų059.1 Ų59.10%032%0.318CS..Hα-helixtrans-88.5-13.2178.9-52.80000113.5T5 I7 I32 L37 Y68 M100 A106 T107 L108T5-T104 PolarHBondContact OG1-OG1 3.49Å; I7-T104 HydrophobicContact CB-CG2 3.96Å; I7-T104 HydrophobicContact CG2-CG2 3.83Å; I32-T104 HydrophobicContact CD1-CG2 4.08Å; L37-T104 HydrophobicContact CD1-CG2 3.83Å; L37-T104 HydrophobicContact CD2-CG2 3.87Å; L37-T104 HydrophobicContact CG-CG2 3.97Å; Y68-T104 VanDerWaalsContact OH-C 3.32Å; Y68-T104 WeakPolarHBondContact OH-CB 3.29Å; M100-T104 WeakPolarHBondContact O-CB 3.24Å; M100-T104 PolarHBondContact O-N 2.51Å; M100-T104 PolarHBondContact O-OG1 3.19Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 2.81Å; T104-T107 WeakPolarHBondContact O-CB 3.48Å; T104-T107 PolarHBondContact O-N 2.66Å; T104-L108 PolarHBondContact O-N 3.29Å
105R93.8Very high93.2Very high90 Ų9057.3 Ų57.334%0.3431%0.312SS..Hα-helixtrans-53.3-45.9-176-178.1173.665.2155-10.9113.3Y68 F85 Y101 T107 L108 K109 E120Y68-R105 HydrophobicContact CE1-CB 4.14Å; Y68-R105 HydrophobicContact CE1-CG 4.43Å; Y68-R105 WeakPolarHBondContact OH-CA 3.33Å; Y68-R105 PolarHBondContact OH-N 3.42Å; F85-R105 HydrophobicContact CE1-CG 3.66Å; F85-R105 HydrophobicContact CZ-CG 3.8Å; Y101-R105 PolarHBondContact O-N 2.87Å; R105-T107 VanDerWaalsContact C-N 3.32Å; R105-T107 PolarHBondContact O-N 2.98Å; R105-L108 PolarHBondContact O-N 3.35Å; R105-K109 WeakPolarHBondContact O-CG 3.3Å; R105-K109 PolarHBondContact O-N 2.95Å; R105-K109 VanDerWaalsContact O-N 3.16Å; R105-E120 WeakPolarHBondContact CD-OE1 3.45Å; R105-E120 IonicContact CZ-OE1 2.75Å; R105-E120 VanDerWaalsContact CZ-OE1 3.32Å; R105-E120 IonicContact NE-OE1 2.8Å; R105-E120 PolarHBondContact NE-OE1 3.27Å; R105-E120 IonicContact NH1-OE1 2.73Å; R105-E120 PolarHBondContact NH1-OE1 3.09Å
106A92.8Very high93.2Very high49 Ų4953 Ų5341%0.40528%0.284SS..Hα-helixtrans-66.9-33.5-179.100000112.7T104 K110T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 2.81Å; A106-K110 WeakPolarHBondContact O-CB 3.31Å; A106-K110 PolarHBondContact O-N 3.43Å; A106-K110 VanDerWaalsContact O-N 3.1Å
107T92.7Very high93.3Very high10 Ų1045.3 Ų45.36%0.06126%0.257CS..Hα-helixtrans-66.5-46.8177.3-53.80000110.5Q4 I7 T104 R105 K109 K110 E111Q4-T107 PolarHBondContact NE2-OG1 3.07Å; I7-T107 WeakPolarHBondContact O-CG2 3.43Å; T104-T107 WeakPolarHBondContact O-CB 3.48Å; T104-T107 PolarHBondContact O-N 2.66Å; R105-T107 VanDerWaalsContact C-N 3.32Å; R105-T107 PolarHBondContact O-N 2.98Å; T107-K109 PolarHBondContact O-N 2.77Å; T107-K110 WeakPolarHBondContact O-CB 3.48Å; T107-K110 PolarHBondContact O-N 2.89Å; T107-E111 HydrophobicContact CG2-CG 4.39Å; T107-E111 WeakPolarHBondContact O-CG 3.3Å; T107-E111 PolarHBondContact O-N 2.82Å
108L94Very high93.3Very high0 Ų045.9 Ų45.90%026%0.256CS..Hα-helixtrans-61.9-44.8178.217858.3000112.2L17 I30 L37 Y68 F85 T104 R105 K110 E111 F112L17-L108 HydrophobicContact CD1-CD1 4.4Å; I30-L108 HydrophobicContact CB-CD2 4.29Å; I30-L108 HydrophobicContact CD1-CD1 3.8Å; I30-L108 HydrophobicContact CD1-CD2 4Å; I30-L108 HydrophobicContact CD1-CG 4.48Å; I30-L108 HydrophobicContact CG2-CD1 4.4Å; I30-L108 HydrophobicContact CG2-CD2 4.05Å; L37-L108 HydrophobicContact CD1-CB 4.04Å; L37-L108 HydrophobicContact CD1-CD1 4.3Å; Y68-L108 HydrophobicContact CD1-CD2 4.46Å; Y68-L108 HydrophobicContact CD2-CD2 3.31Å; Y68-L108 HydrophobicContact CE2-CD2 3.98Å; Y68-L108 HydrophobicContact CG-CD2 3.56Å; F85-L108 HydrophobicContact CE2-CD2 3.8Å; F85-L108 HydrophobicContact CE2-CG 4.1Å; F85-L108 HydrophobicContact CZ-CD2 4.34Å; T104-L108 PolarHBondContact O-N 3.29Å; R105-L108 PolarHBondContact O-N 3.35Å; L108-K110 VanDerWaalsContact C-N 3.26Å; L108-K110 PolarHBondContact O-N 3.37Å; L108-E111 PolarHBondContact O-N 2.76Å; L108-F112 WeakPolarHBondContact O-CB 3.35Å; L108-F112 PolarHBondContact O-N 2.8Å
109K93.8Very high93.4Very high48 Ų4844.6 Ų44.621%0.20925%0.252CS..Hα-helixtrans-60-37.4176.2-69.1-170-55.7-169.40112.4F85 R105 T107 G113 G114 I117 E120F85-K109 HydrophobicContact CD1-CD 4.2Å; F85-K109 HydrophobicContact CD1-CG 4.4Å; F85-K109 HydrophobicContact CD2-CD 4.46Å; F85-K109 HydrophobicContact CD2-CG 3.86Å; F85-K109 HydrophobicContact CE1-CD 4.34Å; F85-K109 HydrophobicContact CE1-CG 4.34Å; F85-K109 HydrophobicContact CE2-CG 3.82Å; F85-K109 HydrophobicContact CG-CD 4.27Å; F85-K109 HydrophobicContact CG-CG 4.16Å; F85-K109 HydrophobicContact CZ-CG 4.07Å; R105-K109 WeakPolarHBondContact O-CG 3.3Å; R105-K109 PolarHBondContact O-N 2.95Å; R105-K109 VanDerWaalsContact O-N 3.16Å; T107-K109 PolarHBondContact O-N 2.77Å; K109-G113 PolarHBondContact O-N 3.09Å; K109-G114 PolarHBondContact O-N 2.77Å; K109-I117 HydrophobicContact CB-CD1 4.04Å; K109-I117 HydrophobicContact CD-CD1 4.3Å; K109-I117 HydrophobicContact CG-CD1 3.85Å; K109-E120 IonicContact NZ-OE1 3.47Å; K109-E120 PolarHBondContact NZ-OE1 2.81Å; K109-E120 IonicContact NZ-OE2 3.32Å; K109-E120 PolarHBondContact NZ-OE2 3.39Å
110K92.2Very high93.5Very high151 Ų15141 Ų4166%0.65723%0.234SC*.Hα-helixtrans-68.4-43.6176.2-175.4-177.4175.4-171.70111.9A106 T107 L108 G113A106-K110 WeakPolarHBondContact O-CB 3.31Å; A106-K110 PolarHBondContact O-N 3.43Å; A106-K110 VanDerWaalsContact O-N 3.1Å; T107-K110 WeakPolarHBondContact O-CB 3.48Å; T107-K110 PolarHBondContact O-N 2.89Å; L108-K110 VanDerWaalsContact C-N 3.26Å; L108-K110 PolarHBondContact O-N 3.37Å; K110-G113 PolarHBondContact O-N 3.43Å
111E91.6Very high93.6Very high52 Ų5239.5 Ų39.524%0.24323%0.226CC..Hα-helixtrans-66-37.9177.4-70.3-70.8166.200111.9A9 K14 R21 T107 L108A9-E111 HydrophobicContact CB-CG 4.24Å; K14-E111 WeakPolarHBondContact CE-OE2 3.27Å; K14-E111 IonicContact NZ-OE1 2.89Å; K14-E111 PolarHBondContact NZ-OE1 2.76Å; K14-E111 IonicContact NZ-OE2 2.82Å; K14-E111 PolarHBondContact NZ-OE2 3.16Å; R21-E111 PolarHBondContact NH2-O 3.26Å; T107-E111 HydrophobicContact CG2-CG 4.39Å; T107-E111 WeakPolarHBondContact O-CG 3.3Å; T107-E111 PolarHBondContact O-N 2.82Å; L108-E111 PolarHBondContact O-N 2.76Å
112F93Very high93.6Very high0 Ų044 Ų440%025%0.247CC..Hα-helixtrans-70.9-37.2174.6-174.2-114.4000112.7L17 R21 L70 W83 L108 H116 I117L17-F112 HydrophobicContact CB-CD2 4.12Å; L17-F112 HydrophobicContact CD2-CD2 3.62Å; L17-F112 HydrophobicContact CD2-CE2 4.23Å; L17-F112 HydrophobicContact CG-CD2 4.28Å; R21-F112 HydrophobicContact CG-CE2 4.23Å; R21-F112 HydrophobicContact CG-CZ 4.5Å; R21-F112 PolarHBondContact NE-O 2.76Å; R21-F112 PolarHBondContact NH2-O 2.87Å; L70-F112 HydrophobicContact CD1-CB 4.33Å; L70-F112 HydrophobicContact CD1-CD1 4.16Å; L70-F112 HydrophobicContact CD1-CD2 3.68Å; L70-F112 HydrophobicContact CD1-CE1 4.39Å; L70-F112 HydrophobicContact CD1-CE2 3.93Å; L70-F112 HydrophobicContact CD1-CG 3.78Å; L70-F112 HydrophobicContact CD1-CZ 4.27Å; L70-F112 HydrophobicContact CD2-CD1 3.99Å; L70-F112 HydrophobicContact CD2-CE1 4.05Å; L70-F112 HydrophobicContact CD2-CG 4.41Å; W83-F112 HydrophobicContact CB-CE1 3.98Å; W83-F112 HydrophobicContact CB-CZ 4.36Å; W83-F112 AromaticContact CD1-CE1 3.91Å; W83-F112 AromaticContact CD1-CZ 3.75Å; W83-F112 HydrophobicContact CD2-CE1 4.17Å; W83-F112 AromaticContact CD2-CZ 3.63Å; W83-F112 HydrophobicContact CD2-CZ 3.63Å; W83-F112 AromaticContact CE2-CZ 3.75Å; W83-F112 HydrophobicContact CE3-CZ 4.23Å; W83-F112 AromaticContact CG-CE1 3.73Å; W83-F112 HydrophobicContact CG-CE1 3.73Å; W83-F112 AromaticContact CG-CZ 3.66Å; W83-F112 HydrophobicContact CG-CZ 3.66Å; W83-F112 HydrophobicContact CZ2-CZ 4.43Å; W83-F112 AromaticContact NE1-CZ 3.81Å; L108-F112 WeakPolarHBondContact O-CB 3.35Å; L108-F112 PolarHBondContact O-N 2.8Å; F112-H116 HydrophobicContact CD1-CB 4.5Å; F112-H116 HydrophobicContact CE1-CB 3.82Å; F112-H116 HydrophobicContact CZ-CB 4.42Å; F112-I117 HydrophobicContact CD1-CD1 4.01Å; F112-I117 HydrophobicContact CD1-CG1 3.78Å; F112-I117 HydrophobicContact CE1-CG1 4.1Å
113G92Very high93.7Very high21 Ų2140.8 Ų40.822%0.21622%0.22CC..  trans101.797.7-179.400000111.3K109 K110 G115 H116K109-G113 PolarHBondContact O-N 3.09Å; K110-G113 PolarHBondContact O-N 3.43Å; G113-G115 PolarHBondContact O-N 2.69Å; G113-H116 PolarHBondContact O-N 3.37Å; G113-H116 PolarHBondContact O-ND1 2.79Å
114G90.3Very high93.8Very high47 Ų4741.5 Ų41.549%0.48522%0.222SC..G310 helixtrans-56.1-21.4-171.700000115.9K109 H116 I117K109-G114 PolarHBondContact O-N 2.77Å; G114-H116 PolarHBondContact O-N 3.04Å; G114-I117 PolarHBondContact O-N 3.38Å; G114-I117 VanDerWaalsContact O-N 3.14Å
115G91.8Very high93.8Very high33 Ų3344.7 Ų44.734%0.3424%0.241SC..G310 helixtrans-68.2-14.6175.700000114.9N77 Q79 G113N77-G115 PolarHBondContact ND2-O 3.21Å; Q79-G115 VanDerWaalsContact OE1-CA 3.28Å; G113-G115 PolarHBondContact O-N 2.69Å
116H93.4Very high93.8Very high19 Ų1945.2 Ų45.29%0.08825%0.248CC..G310 helixtrans-89.9-16172.3-59.782.3000112.6Q79 E82 W83 F112 G113 G114Q79-H116 PolarHBondContact O-NE2 3.38Å; E82-H116 CarbonylContact C-O 3.57Å; E82-H116 WeakPolarHBondContact CA-O 3.43Å; W83-H116 PolarHBondContact N-O 2.88Å; F112-H116 HydrophobicContact CD1-CB 4.5Å; F112-H116 HydrophobicContact CE1-CB 3.82Å; F112-H116 HydrophobicContact CZ-CB 4.42Å; G113-H116 PolarHBondContact O-N 3.37Å; G113-H116 PolarHBondContact O-ND1 2.79Å; G114-H116 PolarHBondContact O-N 3.04Å
117I95.3Very high93.9Very high27 Ų2748.1 Ų48.114%0.13826%0.257CS..EExtended strand (participates in β ladder)trans-89.8114-175.8-58.3173.2000107.9W83 F85 K109 F112 G114 D119W83-I117 CarbonylContact O-C 3.56Å; W83-I117 WeakPolarHBondContact O-CA 3.3Å; F85-I117 HydrophobicContact CB-CD1 4.19Å; F85-I117 HydrophobicContact CB-CG2 3.72Å; F85-I117 HydrophobicContact CD2-CD1 4.35Å; K109-I117 HydrophobicContact CB-CD1 4.04Å; K109-I117 HydrophobicContact CD-CD1 4.3Å; K109-I117 HydrophobicContact CG-CD1 3.85Å; F112-I117 HydrophobicContact CD1-CD1 4.01Å; F112-I117 HydrophobicContact CD1-CG1 3.78Å; F112-I117 HydrophobicContact CE1-CG1 4.1Å; G114-I117 PolarHBondContact O-N 3.38Å; G114-I117 VanDerWaalsContact O-N 3.14Å; I117-D119 WeakPolarHBondContact CG2-O 3.3Å
118R94.6Very high93.9Very high80 Ų8050.4 Ų50.430%0.30227%0.268SS..EExtended strand (participates in β ladder)trans-84-52.9175.2-178.6178.774.3-162.77.5111.4S75 E82 W83 Y134S75-R118 PolarHBondContact OG-NH1 2.89Å; E82-R118 HydrophobicContact CB-CB 4.21Å; E82-R118 WeakPolarHBondContact OE2-CD 3.3Å; E82-R118 IonicContact OE2-CZ 2.72Å; E82-R118 IonicContact OE2-NE 3.35Å; E82-R118 IonicContact OE2-NH1 3.02Å; E82-R118 PolarHBondContact OE2-NH1 3.17Å; W83-R118 PolarHBondContact O-N 3.21Å; R118-Y134 PolarHBondContact NH2-OH 2.89Å
119D94.5Very high93.9Very high26 Ų2650.4 Ų50.414%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-119.6142.2-173.2-60-57.2000110T84 F85 I117 Y134T84-D119 WeakPolarHBondContact CA-O 3.46Å; T84-D119 HydrophobicContact CG2-CB 4.15Å; F85-D119 PolarHBondContact N-O 3.37Å; I117-D119 WeakPolarHBondContact CG2-O 3.3Å; D119-Y134 HydrophobicContact CB-CE2 4.02Å; D119-Y134 PolarHBondContact OD2-OH 2.97Å
120E95.9Very high94Very high63 Ų6349 Ų4929%0.29426%0.264SS..EExtended strand (participates in β ladder)trans-121.3115.7173.8175.4169.7-168.800109.5F85 R105 K109 H137F85-E120 HydrophobicContact CD1-CG 4.02Å; F85-E120 CarbonylContact O-C 3.56Å; F85-E120 WeakPolarHBondContact O-CA 3.28Å; R105-E120 WeakPolarHBondContact CD-OE1 3.45Å; R105-E120 IonicContact CZ-OE1 2.75Å; R105-E120 VanDerWaalsContact CZ-OE1 3.32Å; R105-E120 IonicContact NE-OE1 2.8Å; R105-E120 PolarHBondContact NE-OE1 3.27Å; R105-E120 IonicContact NH1-OE1 2.73Å; R105-E120 PolarHBondContact NH1-OE1 3.09Å; K109-E120 IonicContact NZ-OE1 3.47Å; K109-E120 PolarHBondContact NZ-OE1 2.81Å; K109-E120 IonicContact NZ-OE2 3.32Å; K109-E120 PolarHBondContact NZ-OE2 3.39Å; E120-H137 PolarHBondContact O-CE1 2.87Å
121M95.6Very high94.2Very high5 Ų543.9 Ų43.93%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-107.9143.2177-63.7-17576.400110.8T84 F85 I86 A87 D128 L129 Y134 H137T84-M121 HydrophobicContact CG2-CG 4.21Å; T84-M121 HydrophobicContact CG2-SD 4.21Å; F85-M121 PolarHBondContact O-N 2.9Å; I86-M121 WeakPolarHBondContact CA-O 3.28Å; I86-M121 HydrophobicContact CG1-CB 4.36Å; A87-M121 PolarHBondContact N-O 3.46Å; M121-D128 WeakPolarHBondContact CE-O 3.5Å; M121-L129 HydrophobicContact CB-CD2 4.03Å; M121-L129 HydrophobicContact CE-CD2 4.09Å; M121-Y134 HydrophobicContact CE-CD2 4.39Å; M121-Y134 HydrophobicContact CG-CD2 4.4Å; M121-Y134 HydrophobicContact SD-CD2 3.43Å; M121-Y134 WeakPolarHBondContact SD-CD2 3.42Å; M121-Y134 HydrophobicContact SD-CE2 4.34Å; M121-Y134 HydrophobicContact SD-CG 4.12Å; M121-H137 HydrophobicContact CE-CB 4.19Å
122F96.4Very high94.4Very high116 Ų11647.2 Ų47.251%0.50926%0.258SS..EExtended strand (participates in β ladder)trans-125.2130.2168.3173.6-94.8000107.2A87 T124A87-F122 HydrophobicContact CB-CD2 4.04Å; A87-F122 WeakPolarHBondContact O-CA 2.91Å; F122-T124 HydrophobicContact CE1-CG2 3.59Å; F122-T124 HydrophobicContact CZ-CG2 3.86Å
123G95.4Very high94.5Very high0 Ų047.4 Ų47.40%026%0.26CS..EExtended strand (participates in β ladder)trans-136.8142.5179.900000111.6A87 W88 S89A87-G123 PolarHBondContact O-N 3.49Å; W88-G123 VanDerWaalsContact CE3-O 3.28Å; S89-G123 PolarHBondContact N-O 2.91Å
124T95.3Very high94.6Very high35 Ų3546.4 Ų46.422%0.21525%0.249CC..SBendtrans-111.6-19.8172.865.60000111.8W88 S89 P90 F122 D128W88-T124 WeakPolarHBondContact CH2-O 3.45Å; S89-T124 WeakPolarHBondContact O-CG2 3.18Å; P90-T124 WeakPolarHBondContact CA-O 3.34Å; F122-T124 HydrophobicContact CE1-CG2 3.59Å; F122-T124 HydrophobicContact CZ-CG2 3.86Å; T124-D128 PolarHBondContact N-OD2 3.21Å; T124-D128 VanDerWaalsContact N-OD2 3.1Å
125V94.9Very high94.8Very high67 Ų6748.1 Ų48.141%0.40625%0.246SC..SBendtrans-123.5153.9173.1-62.20000111.3W88 D127 D128W88-V125 VanDerWaalsContact CZ3-C 3.42Å; W88-V125 WeakPolarHBondContact CZ3-O 3.39Å; V125-D127 HydrophobicContact CG2-CB 4.29Å; V125-D127 PolarHBondContact O-N 2.68Å; V125-D128 HydrophobicContact CG2-CB 4.37Å; V125-D128 VanDerWaalsContact CG2-CG 3.46Å; V125-D128 WeakPolarHBondContact CG2-OD2 3.39Å; V125-D128 PolarHBondContact N-OD2 3.2Å; V125-D128 WeakPolarHBondContact O-CB 3.41Å; V125-D128 PolarHBondContact O-N 2.99Å
126E93.8Very high95Very high100 Ų10053 Ų5347%0.46725%0.254SS..Hα-helixtrans-59.5-34.1-177.9-65.9178.8-168.200112.3L58 L61 W88 D128 L129 C130L58-E126 HydrophobicContact CD2-CB 4.41Å; L61-E126 HydrophobicContact CD1-CB 4.45Å; L61-E126 HydrophobicContact CD1-CG 4.11Å; W88-E126 HydrophobicContact CH2-CG 4.28Å; E126-D128 PolarHBondContact O-N 3.42Å; E126-L129 CarbonylContact O-C 3.58Å; E126-L129 PolarHBondContact O-N 3.26Å; E126-C130 PolarHBondContact O-N 3.44Å
127D94.6Very high95Very high111 Ų11154.9 Ų54.959%0.59426%0.262SS*.Hα-helixtrans-61.9-23.4177.2-74.6-16.1000113.9V125 L129 C130 G133 R136V125-D127 HydrophobicContact CG2-CB 4.29Å; V125-D127 PolarHBondContact O-N 2.68Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-C130 PolarHBondContact O-SG 3.41Å; D127-C130 VanDerWaalsContact O-SG 3.36Å; D127-G133 WeakPolarHBondContact O-CA 3.38Å; D127-R136 PolarHBondContact O-NH2 3.34Å
128D93.3Very high94.9Very high58 Ų5858.3 Ų58.331%0.3127%0.274SS..Hα-helixtrans-72.4-33.1174.9-63.9-27.4000111.1M121 T124 V125 E126 G133M121-D128 WeakPolarHBondContact CE-O 3.5Å; T124-D128 PolarHBondContact N-OD2 3.21Å; T124-D128 VanDerWaalsContact N-OD2 3.1Å; V125-D128 HydrophobicContact CG2-CB 4.37Å; V125-D128 VanDerWaalsContact CG2-CG 3.46Å; V125-D128 WeakPolarHBondContact CG2-OD2 3.39Å; V125-D128 PolarHBondContact N-OD2 3.2Å; V125-D128 WeakPolarHBondContact O-CB 3.41Å; V125-D128 PolarHBondContact O-N 2.99Å; E126-D128 PolarHBondContact O-N 3.42Å; D128-G133 CarbonylContact O-C 3.54Å; D128-G133 WeakPolarHBondContact O-CA 3.39Å
129L95.4Very high94.8Very high0 Ų057.6 Ų57.60%028%0.281CS..Hα-helixtrans-110.3-4.2-168.8-60.7-173.4000114Y53 L61 I86 W88 M121 E126 D127Y53-L129 VanDerWaalsContact CE1-O 3.24Å; Y53-L129 WeakPolarHBondContact CE1-O 3.28Å; L61-L129 HydrophobicContact CD1-CB 4.07Å; L61-L129 HydrophobicContact CD1-CD1 4.1Å; L61-L129 HydrophobicContact CD2-CD1 3.88Å; I86-L129 HydrophobicContact CG2-CD1 3.51Å; I86-L129 HydrophobicContact CG2-CD2 3.63Å; I86-L129 HydrophobicContact CG2-CG 4.12Å; W88-L129 HydrophobicContact CB-CD1 4.15Å; W88-L129 HydrophobicContact CD2-CD1 4.21Å; W88-L129 HydrophobicContact CE3-CD1 3.42Å; W88-L129 VanDerWaalsContact CE3-CD1 3.42Å; W88-L129 HydrophobicContact CE3-CG 4.36Å; W88-L129 HydrophobicContact CZ3-CD1 4.1Å; M121-L129 HydrophobicContact CB-CD2 4.03Å; M121-L129 HydrophobicContact CE-CD2 4.09Å; E126-L129 CarbonylContact O-C 3.58Å; E126-L129 PolarHBondContact O-N 3.26Å; D127-L129 VanDerWaalsContact C-N 3.33Å
130C95.3Very high94.7Very high18 Ų1860.2 Ų60.212%0.12230%0.301CS..SBendtrans-66.2166.9168.7720000110.6D54 L58 E126 D127 Q132 G133 Y134D54-C130 WeakPolarHBondContact OD1-CA 3.3Å; L58-C130 HydrophobicContact CD2-CB 4.04Å; E126-C130 PolarHBondContact O-N 3.44Å; D127-C130 PolarHBondContact O-SG 3.41Å; D127-C130 VanDerWaalsContact O-SG 3.36Å; C130-Q132 PolarHBondContact O-N 2.98Å; C130-G133 CarbonylContact O-C 3.52Å; C130-G133 VanDerWaalsContact O-CA 3.29Å; C130-G133 WeakPolarHBondContact O-CA 3.28Å; C130-G133 PolarHBondContact O-N 3.27Å; C130-G133 PolarHBondContact SG-N 2.91Å; C130-Y134 PolarHBondContact O-N 3.18Å
131F94.9Very high94.4Very high43 Ų4361.7 Ų61.719%0.18932%0.317CS..Hα-helixtrans-56.9-39-178.6-179.2-105.6000111.8W49 D50 Y53 D54 Y134 M135W49-F131 AromaticContact CH2-CE2 3.69Å; W49-F131 HydrophobicContact CH2-CE2 3.69Å; W49-F131 HydrophobicContact CH2-CZ 4.4Å; W49-F131 HydrophobicContact CZ3-CD2 4.32Å; W49-F131 AromaticContact CZ3-CE2 3.72Å; W49-F131 HydrophobicContact CZ3-CE2 3.72Å; D50-F131 HydrophobicContact CB-CE2 3.74Å; D50-F131 HydrophobicContact CB-CZ 3.85Å; Y53-F131 HydrophobicContact CD1-CB 3.88Å; Y53-F131 HydrophobicContact CD1-CD2 4.24Å; Y53-F131 HydrophobicContact CG-CB 4.45Å; Y53-F131 HydrophobicContact CG-CD2 4.06Å; D54-F131 WeakPolarHBondContact OD1-CB 3.15Å; D54-F131 PolarHBondContact OD1-N 2.86Å; D54-F131 WeakPolarHBondContact OD2-CB 3.33Å; F131-Y134 WeakPolarHBondContact O-CB 3.47Å; F131-Y134 PolarHBondContact O-N 2.89Å; F131-M135 HydrophobicContact CD1-CG 4.4Å; F131-M135 HydrophobicContact CE1-CG 4.04Å; F131-M135 HydrophobicContact CZ-CG 4.14Å; F131-M135 HydrophobicContact CZ-SD 4.24Å; F131-M135 WeakPolarHBondContact O-CG 3.35Å; F131-M135 PolarHBondContact O-N 3.2Å
132Q95.9Very high94.2Very high123 Ų12366 Ų6658%0.57535%0.348SS*.Hα-helixtrans-65.4-38173.2-66.9-61.5-32.200112.3C130 M135 R136C130-Q132 PolarHBondContact O-N 2.98Å; Q132-M135 PolarHBondContact O-N 3.25Å; Q132-R136 WeakPolarHBondContact O-CG 3.42Å; Q132-R136 PolarHBondContact O-N 3Å
133G95.2Very high94Very high4 Ų463.6 Ų63.64%0.04135%0.346CS..Hα-helixtrans-58.9-45.2171.300000112.3D127 D128 C130 M135 R136 H137D127-G133 WeakPolarHBondContact O-CA 3.38Å; D128-G133 CarbonylContact O-C 3.54Å; D128-G133 WeakPolarHBondContact O-CA 3.39Å; C130-G133 CarbonylContact O-C 3.52Å; C130-G133 VanDerWaalsContact O-CA 3.29Å; C130-G133 WeakPolarHBondContact O-CA 3.28Å; C130-G133 PolarHBondContact O-N 3.27Å; C130-G133 PolarHBondContact SG-N 2.91Å; G133-M135 PolarHBondContact O-N 3.38Å; G133-R136 PolarHBondContact O-N 2.94Å; G133-H137 PolarHBondContact O-N 2.86Å
134Y94.8Very high93.7Very high0 Ų069.1 Ų69.10%038%0.382CS..Hα-helixtrans-61.3-45.2174.8176.8-119.8000113W49 T84 R118 D119 M121 C130 F131 R136 H137 R138W49-Y134 HydrophobicContact CH2-CD1 4.04Å; W49-Y134 AromaticContact CH2-CE1 3.54Å; W49-Y134 HydrophobicContact CH2-CE1 3.54Å; W49-Y134 AromaticContact CZ3-CD1 3.85Å; W49-Y134 HydrophobicContact CZ3-CD1 3.85Å; W49-Y134 AromaticContact CZ3-CE1 3.49Å; W49-Y134 HydrophobicContact CZ3-CE1 3.49Å; W49-Y134 VanDerWaalsContact CZ3-CE1 3.49Å; T84-Y134 HydrophobicContact CG2-CD2 4.49Å; T84-Y134 HydrophobicContact CG2-CE2 4.15Å; R118-Y134 PolarHBondContact NH2-OH 2.89Å; D119-Y134 HydrophobicContact CB-CE2 4.02Å; D119-Y134 PolarHBondContact OD2-OH 2.97Å; M121-Y134 HydrophobicContact CE-CD2 4.39Å; M121-Y134 HydrophobicContact CG-CD2 4.4Å; M121-Y134 HydrophobicContact SD-CD2 3.43Å; M121-Y134 WeakPolarHBondContact SD-CD2 3.42Å; M121-Y134 HydrophobicContact SD-CE2 4.34Å; M121-Y134 HydrophobicContact SD-CG 4.12Å; C130-Y134 PolarHBondContact O-N 3.18Å; F131-Y134 WeakPolarHBondContact O-CB 3.47Å; F131-Y134 PolarHBondContact O-N 2.89Å; Y134-R136 VanDerWaalsContact C-N 3.33Å; Y134-R136 PolarHBondContact O-N 3.32Å; Y134-H137 WeakPolarHBondContact O-CB 3.36Å; Y134-H137 PolarHBondContact O-N 3.17Å; Y134-R138 HydrophobicContact CD2-CG 4.42Å; Y134-R138 HydrophobicContact CE1-CG 4.42Å; Y134-R138 HydrophobicContact CE2-CG 4.01Å; Y134-R138 PolarHBondContact O-N 3.27Å
135M95.1Very high93.5Very high82 Ų8272 Ų7240%0.40440%0.401SS..Hα-helixtrans-62-41.2176.7-69.8-61-68.300111.8F131 Q132 G133 R138 S139F131-M135 HydrophobicContact CD1-CG 4.4Å; F131-M135 HydrophobicContact CE1-CG 4.04Å; F131-M135 HydrophobicContact CZ-CG 4.14Å; F131-M135 HydrophobicContact CZ-SD 4.24Å; F131-M135 WeakPolarHBondContact O-CG 3.35Å; F131-M135 PolarHBondContact O-N 3.2Å; Q132-M135 PolarHBondContact O-N 3.25Å; G133-M135 PolarHBondContact O-N 3.38Å; M135-R138 PolarHBondContact O-N 3.44Å; M135-S139 PolarHBondContact O-N 3.27Å
136R94.8Very high93.4Very high136 Ų13675.1 Ų75.151%0.51342%0.423SS..Hα-helixtrans-61.3-45.4173.2-74.4-175.1-67.5161.7-1.8111.6D127 Q132 G133 Y134 R138 S139 S140D127-R136 PolarHBondContact O-NH2 3.34Å; Q132-R136 WeakPolarHBondContact O-CG 3.42Å; Q132-R136 PolarHBondContact O-N 3Å; G133-R136 PolarHBondContact O-N 2.94Å; Y134-R136 VanDerWaalsContact C-N 3.33Å; Y134-R136 PolarHBondContact O-N 3.32Å; R136-R138 VanDerWaalsContact C-N 3.35Å; R136-R138 PolarHBondContact O-N 3.07Å; R136-S139 WeakPolarHBondContact CA-OG 3.28Å; R136-S139 PolarHBondContact O-N 3.26Å; R136-S139 PolarHBondContact O-OG 2.97Å; R136-S140 PolarHBondContact O-N 3.04Å
137H93.8Very high93.4Very high58 Ų5873.7 Ų73.727%0.26942%0.418SS..Hα-helixtrans-55.8-48176.2177.481.7000111.8E120 M121 G133 Y134 S139 S140 C141E120-H137 PolarHBondContact O-CE1 2.87Å; M121-H137 HydrophobicContact CE-CB 4.19Å; G133-H137 PolarHBondContact O-N 2.86Å; Y134-H137 WeakPolarHBondContact O-CB 3.36Å; Y134-H137 PolarHBondContact O-N 3.17Å; H137-S139 PolarHBondContact O-N 3.26Å; H137-S140 PolarHBondContact O-N 3.22Å; H137-C141 PolarHBondContact O-N 3.05Å; H137-C141 PolarHBondContact O-SG 2.95Å; H137-C141 VanDerWaalsContact O-SG 3.4Å
138R92.8Very high93.4Very high100 Ų10071.1 Ų71.138%0.37741%0.408SS..Hα-helixtrans-61.3-40.9176.8-69.9-177.469.5-177.40.7113Y134 M135 R136 S140 C141 S142Y134-R138 HydrophobicContact CD2-CG 4.42Å; Y134-R138 HydrophobicContact CE1-CG 4.42Å; Y134-R138 HydrophobicContact CE2-CG 4.01Å; Y134-R138 PolarHBondContact O-N 3.27Å; M135-R138 PolarHBondContact O-N 3.44Å; R136-R138 VanDerWaalsContact C-N 3.35Å; R136-R138 PolarHBondContact O-N 3.07Å; R138-S140 VanDerWaalsContact C-N 3.34Å; R138-C141 PolarHBondContact O-N 3.13Å; R138-S142 PolarHBondContact O-N 3.28Å; R138-S142 PolarHBondContact O-OG 3.43Å
139S93.5Very high93.6Very high64 Ų6472.6 Ų72.645%0.44842%0.423SS..Hα-helixtrans-66-36.4176.271.90000112.3M135 R136 H137 S142 S143M135-S139 PolarHBondContact O-N 3.27Å; R136-S139 WeakPolarHBondContact CA-OG 3.28Å; R136-S139 PolarHBondContact O-N 3.26Å; R136-S139 PolarHBondContact O-OG 2.97Å; H137-S139 PolarHBondContact O-N 3.26Å; S139-S142 WeakPolarHBondContact CA-OG 3.43Å; S139-S142 PolarHBondContact O-N 3.01Å; S139-S142 PolarHBondContact O-OG 3.47Å; S139-S142 VanDerWaalsContact O-OG 3.05Å; S139-S143 PolarHBondContact O-N 3.24Å; S139-S143 VanDerWaalsContact O-N 3.11Å; S139-S143 PolarHBondContact O-OG 3.1Å
140S92.6Very high93.5Very high82 Ų8275 Ų7557%0.57344%0.444SS*.Hα-helixtrans-68.7-40.7176.7-172.50000112R136 H137 R138 S142 S143R136-S140 PolarHBondContact O-N 3.04Å; H137-S140 PolarHBondContact O-N 3.22Å; R138-S140 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 3Å; S140-S143 WeakPolarHBondContact O-CB 3.39Å; S140-S143 PolarHBondContact O-N 3.23Å
141C89.2Confident93.5Very high93 Ų9378.8 Ų78.863%0.62846%0.459SS*.Hα-helixtrans-67-24.8177.8-69.80000113.3H137 R138H137-C141 PolarHBondContact O-N 3.05Å; H137-C141 PolarHBondContact O-SG 2.95Å; H137-C141 VanDerWaalsContact O-SG 3.4Å; R138-C141 PolarHBondContact O-N 3.13Å
142S90.8Very high93.5Very high96 Ų9680.6 Ų80.667%0.67147%0.468SS*.Hα-helixtrans-92.8-7175.149.80000113.7R138 S139 S140R138-S142 PolarHBondContact O-N 3.28Å; R138-S142 PolarHBondContact O-OG 3.43Å; S139-S142 WeakPolarHBondContact CA-OG 3.43Å; S139-S142 PolarHBondContact O-N 3.01Å; S139-S142 PolarHBondContact O-OG 3.47Å; S139-S142 VanDerWaalsContact O-OG 3.05Å; S140-S142 PolarHBondContact O-N 3Å
143S91.9Very high93.4Very high65 Ų6580.3 Ų80.346%0.45547%0.467SS..SBendtrans-74.5149.3176.3-66.50000110.8S139 S140S139-S143 PolarHBondContact O-N 3.24Å; S139-S143 VanDerWaalsContact O-N 3.11Å; S139-S143 PolarHBondContact O-OG 3.1Å; S140-S143 WeakPolarHBondContact O-CB 3.39Å; S140-S143 PolarHBondContact O-N 3.23Å
144P90.5Very high93.3Very high117 Ų11785.7 Ų85.776%0.7649%0.494SS*.PPolyproline II helixtrans-59.6136.7178.824.7-33.6000110.4
145P90Very high93.1Very high95 Ų9590.3 Ų90.362%0.61752%0.516SS*.PPolyproline II helixtrans-64146.8178.127.5-34.2000110L147P145-L147 PolarHBondContact O-N 2.91Å
146P92.8Very high92.9Very high133 Ų13394.1 Ų94.186%0.86453%0.526SS*.PPolyproline II helixtrans-64.2120.6174.427.2-33000109.3
147L93.6Very high92.7Very high70 Ų7091.9 Ų91.937%0.36652%0.523SS..  trans-106137.4177.9-70.9155.1000109.7P145 E151 Q152P145-L147 PolarHBondContact O-N 2.91Å; L147-E151 HydrophobicContact CB-CB 4.39Å; L147-E151 HydrophobicContact CD2-CB 3.84Å; L147-Q152 HydrophobicContact CB-CG 3.76Å; L147-Q152 PolarHBondContact O-NE2 2.95Å
148S96.4Very high92.5Very high56 Ų5695.4 Ų95.439%0.39254%0.538SS..  trans-66.4160.9168.865.60000111.5A150 E151 Q152S148-A150 VanDerWaalsContact C-N 3.26Å; S148-A150 PolarHBondContact O-N 3.01Å; S148-E151 WeakPolarHBondContact CB-OE2 3.43Å; S148-E151 PolarHBondContact N-OE2 3.35Å; S148-E151 PolarHBondContact O-N 2.91Å; S148-E151 VanDerWaalsContact OG-CG 3.23Å; S148-E151 WeakPolarHBondContact OG-CG 3.28Å; S148-E151 PolarHBondContact OG-N 3.35Å; S148-E151 PolarHBondContact OG-OE2 3.34Å; S148-Q152 WeakPolarHBondContact O-CG 3.49Å; S148-Q152 PolarHBondContact O-N 2.73Å
149S95.5Very high92.3Very high89 Ų8994.2 Ų94.262%0.62254%0.538SS*.Hα-helixtrans-57-41.3177.253.80000112.2Q152 E153S149-Q152 PolarHBondContact O-N 2.85Å; S149-E153 WeakPolarHBondContact O-CG 3.44Å; S149-E153 PolarHBondContact O-N 2.93Å
150A95.2Very high91.9Very high52 Ų5295.1 Ų95.143%0.4354%0.541SS..Hα-helixtrans-64.2-41.117800000112.5S148 E153 L154S148-A150 VanDerWaalsContact C-N 3.26Å; S148-A150 PolarHBondContact O-N 3.01Å; A150-E153 PolarHBondContact O-N 3.42Å; A150-L154 WeakPolarHBondContact O-CG 3.21Å; A150-L154 PolarHBondContact O-N 3.26Å
151E95.1Very high91.1Very high96 Ų9696.9 Ų96.945%0.44954%0.54SS..Hα-helixtrans-67.1-38176.7-71.2162.914400111.8L147 S148 E153 L154 Q155L147-E151 HydrophobicContact CB-CB 4.39Å; L147-E151 HydrophobicContact CD2-CB 3.84Å; S148-E151 WeakPolarHBondContact CB-OE2 3.43Å; S148-E151 PolarHBondContact N-OE2 3.35Å; S148-E151 PolarHBondContact O-N 2.91Å; S148-E151 VanDerWaalsContact OG-CG 3.23Å; S148-E151 WeakPolarHBondContact OG-CG 3.28Å; S148-E151 PolarHBondContact OG-N 3.35Å; S148-E151 PolarHBondContact OG-OE2 3.34Å; E151-E153 VanDerWaalsContact C-N 3.34Å; E151-L154 PolarHBondContact O-N 3.38Å; E151-Q155 WeakPolarHBondContact O-CB 3.48Å; E151-Q155 PolarHBondContact O-N 2.77Å
152Q94.1Very high90.4Very high82 Ų8296.2 Ų96.238%0.38353%0.53SS..Hα-helixtrans-63.5-40.6174.5-67.6176.11600111.6L147 S148 S149 Q155 R156L147-Q152 HydrophobicContact CB-CG 3.76Å; L147-Q152 PolarHBondContact O-NE2 2.95Å; S148-Q152 WeakPolarHBondContact O-CG 3.49Å; S148-Q152 PolarHBondContact O-N 2.73Å; S149-Q152 PolarHBondContact O-N 2.85Å; Q152-Q155 PolarHBondContact O-N 3.42Å; Q152-R156 VanDerWaalsContact O-CG 3.28Å; Q152-R156 WeakPolarHBondContact O-CG 3.44Å; Q152-R156 PolarHBondContact O-N 2.97Å
153E93.8Very high89.4Confident117 Ų11797.8 Ų97.855%0.54753%0.525SS..Hα-helixtrans-64-47.6175.5-75.1174.7-171.300111.8S149 A150 E151 Q155 R156 I157S149-E153 WeakPolarHBondContact O-CG 3.44Å; S149-E153 PolarHBondContact O-N 2.93Å; A150-E153 PolarHBondContact O-N 3.42Å; E151-E153 VanDerWaalsContact C-N 3.34Å; E153-Q155 VanDerWaalsContact C-N 3.31Å; E153-Q155 PolarHBondContact O-N 3.4Å; E153-R156 WeakPolarHBondContact O-CB 3.39Å; E153-R156 PolarHBondContact O-N 3.49Å; E153-R156 VanDerWaalsContact O-N 3.1Å; E153-I157 WeakPolarHBondContact O-CG1 3.36Å; E153-I157 PolarHBondContact O-N 3.45Å
154L93.3Very high88.2Confident117 Ų11798.9 Ų98.961%0.61353%0.529SS*.Hα-helixtrans-60.3-40.9176.4-74.9172.1000112.2A150 E151 R156 I157 K158A150-L154 WeakPolarHBondContact O-CG 3.21Å; A150-L154 PolarHBondContact O-N 3.26Å; E151-L154 PolarHBondContact O-N 3.38Å; L154-R156 VanDerWaalsContact C-N 3.32Å; L154-R156 PolarHBondContact O-N 3.01Å; L154-I157 PolarHBondContact O-N 2.78Å; L154-K158 WeakPolarHBondContact O-CB 3.44Å; L154-K158 PolarHBondContact O-N 2.95Å
155Q91.2Very high86.7Confident97 Ų9797.3 Ų97.345%0.45352%0.517SS..Hα-helixtrans-63.8-38.6175.5-173.5177.7-6.700111.6E151 Q152 E153 K158 I159E151-Q155 WeakPolarHBondContact O-CB 3.48Å; E151-Q155 PolarHBondContact O-N 2.77Å; Q152-Q155 PolarHBondContact O-N 3.42Å; E153-Q155 VanDerWaalsContact C-N 3.31Å; E153-Q155 PolarHBondContact O-N 3.4Å; Q155-K158 PolarHBondContact O-N 3.48Å; Q155-I159 HydrophobicContact CG-CD1 3.91Å; Q155-I159 WeakPolarHBondContact O-CB 3.35Å; Q155-I159 WeakPolarHBondContact O-CD1 3.41Å; Q155-I159 WeakPolarHBondContact O-CG1 3.32Å; Q155-I159 PolarHBondContact O-N 3Å
156R90.3Very high85Confident161 Ų161100.4 Ų100.461%0.60852%0.516SS*.Hα-helixtrans-64.7-42.9174.9-73.7172.1-172.5175.55.4112.2Q152 E153 L154 I159 T160Q152-R156 VanDerWaalsContact O-CG 3.28Å; Q152-R156 WeakPolarHBondContact O-CG 3.44Å; Q152-R156 PolarHBondContact O-N 2.97Å; E153-R156 WeakPolarHBondContact O-CB 3.39Å; E153-R156 PolarHBondContact O-N 3.49Å; E153-R156 VanDerWaalsContact O-N 3.1Å; L154-R156 VanDerWaalsContact C-N 3.32Å; L154-R156 PolarHBondContact O-N 3.01Å; R156-I159 PolarHBondContact O-N 2.89Å; R156-T160 WeakPolarHBondContact O-CB 3.35Å; R156-T160 PolarHBondContact O-N 3.47Å; R156-T160 PolarHBondContact O-OG1 3.47Å
157I90.6Very high83.4Confident90 Ų9097.5 Ų97.546%0.46249%0.494SS..Hα-helixtrans-59.8-51.4176.5-67.6167.2000109.3E153 L154 I159 T160 E161E153-I157 WeakPolarHBondContact O-CG1 3.36Å; E153-I157 PolarHBondContact O-N 3.45Å; L154-I157 PolarHBondContact O-N 2.78Å; I157-I159 PolarHBondContact O-N 3.11Å; I157-T160 WeakPolarHBondContact O-CA 3.43Å; I157-T160 WeakPolarHBondContact O-CB 3.44Å; I157-T160 PolarHBondContact O-N 3.17Å; I157-E161 HydrophobicContact CG2-CG 4.3Å; I157-E161 WeakPolarHBondContact O-CG 3.41Å; I157-E161 PolarHBondContact O-N 3Å
158K89.9Confident81.4Confident132 Ų13297.8 Ų97.857%0.57449%0.493SS*.Hα-helixtrans-56.9-45.9178.5-175.3176.1-179.7178.40112.8L154 Q155 T160 E161 D162L154-K158 WeakPolarHBondContact O-CB 3.44Å; L154-K158 PolarHBondContact O-N 2.95Å; Q155-K158 PolarHBondContact O-N 3.48Å; K158-T160 VanDerWaalsContact C-N 3.27Å; K158-T160 PolarHBondContact O-N 3.01Å; K158-E161 PolarHBondContact O-N 3.1Å; K158-D162 WeakPolarHBondContact O-CB 3.16Å; K158-D162 VanDerWaalsContact O-CG 3.31Å; K158-D162 PolarHBondContact O-N 3.48Å
159I87.6Confident79.5Confident74 Ų74103.6 Ų103.638%0.37951%0.506SS..Hα-helixtrans-63.2-37176.9-69165000111.1Q155 R156 I157 K163Q155-I159 HydrophobicContact CG-CD1 3.91Å; Q155-I159 WeakPolarHBondContact O-CB 3.35Å; Q155-I159 WeakPolarHBondContact O-CD1 3.41Å; Q155-I159 WeakPolarHBondContact O-CG1 3.32Å; Q155-I159 PolarHBondContact O-N 3Å; R156-I159 PolarHBondContact O-N 2.89Å; I157-I159 PolarHBondContact O-N 3.11Å; I159-K163 HydrophobicContact CG2-CD 4.18Å; I159-K163 HydrophobicContact CG2-CG 4.43Å; I159-K163 WeakPolarHBondContact O-CB 3.36Å; I159-K163 VanDerWaalsContact O-CG 3.27Å; I159-K163 WeakPolarHBondContact O-CG 3.45Å; I159-K163 PolarHBondContact O-N 3.34Å
160T85.3Confident77.6Confident84 Ų84107.7 Ų107.752%0.51551%0.508SS..Hα-helixtrans-69.6-45.3179.6-55.70000110.7R156 I157 K158 K163 V164R156-T160 WeakPolarHBondContact O-CB 3.35Å; R156-T160 PolarHBondContact O-N 3.47Å; R156-T160 PolarHBondContact O-OG1 3.47Å; I157-T160 WeakPolarHBondContact O-CA 3.43Å; I157-T160 WeakPolarHBondContact O-CB 3.44Å; I157-T160 PolarHBondContact O-N 3.17Å; K158-T160 VanDerWaalsContact C-N 3.27Å; K158-T160 PolarHBondContact O-N 3.01Å; T160-K163 PolarHBondContact O-N 2.92Å; T160-V164 VanDerWaalsContact O-CG2 3.3Å; T160-V164 WeakPolarHBondContact O-CG2 3.4Å; T160-V164 PolarHBondContact O-N 3.16Å
161E76.9Confident75.6Confident119 Ų119115.3 Ų115.356%0.55653%0.526SS*.Hα-helixtrans-57.6-49.2172.8-70.6176.4168.300111I157 K158 K163 V164 V165I157-E161 HydrophobicContact CG2-CG 4.3Å; I157-E161 WeakPolarHBondContact O-CG 3.41Å; I157-E161 PolarHBondContact O-N 3Å; K158-E161 PolarHBondContact O-N 3.1Å; E161-K163 VanDerWaalsContact C-N 3.33Å; E161-K163 PolarHBondContact O-N 3.39Å; E161-V164 PolarHBondContact O-N 2.7Å; E161-V165 VanDerWaalsContact O-CG2 3.3Å; E161-V165 WeakPolarHBondContact O-CG2 3.49Å; E161-V165 PolarHBondContact O-N 3.17Å
162D73.6Confident73.4Confident79 Ų79115.6 Ų115.642%0.42253%0.529SS..Hα-helixtrans-60.3-42.1177.3-75.6-21.7000111.5K158 V165 W166K158-D162 WeakPolarHBondContact O-CB 3.16Å; K158-D162 VanDerWaalsContact O-CG 3.31Å; K158-D162 PolarHBondContact O-N 3.48Å; D162-V165 CarbonylContact O-C 3.58Å; D162-V165 WeakPolarHBondContact O-CB 3.19Å; D162-V165 PolarHBondContact O-N 3.08Å; D162-W166 WeakPolarHBondContact O-CB 3.37Å; D162-W166 PolarHBondContact O-N 3.06Å
163K70.1Confident71.1Confident129 Ų129115 Ų11556%0.56155%0.545SS*.Hα-helixtrans-64.5-43.5177.2-81.3179.6-179.8-177.30112.5I159 T160 E161 V165 W166 D167I159-K163 HydrophobicContact CG2-CD 4.18Å; I159-K163 HydrophobicContact CG2-CG 4.43Å; I159-K163 WeakPolarHBondContact O-CB 3.36Å; I159-K163 VanDerWaalsContact O-CG 3.27Å; I159-K163 WeakPolarHBondContact O-CG 3.45Å; I159-K163 PolarHBondContact O-N 3.34Å; T160-K163 PolarHBondContact O-N 2.92Å; E161-K163 VanDerWaalsContact C-N 3.33Å; E161-K163 PolarHBondContact O-N 3.39Å; K163-V165 PolarHBondContact O-N 2.98Å; K163-W166 PolarHBondContact O-N 2.98Å; K163-D167 WeakPolarHBondContact O-CB 3.23Å; K163-D167 PolarHBondContact O-N 3.44Å
164V66.1Low68.7Low87 Ų87114.3 Ų114.353%0.52755%0.549SS..Hα-helixtrans-56-45.9173.81700000109.2T160 E161 E168T160-V164 VanDerWaalsContact O-CG2 3.3Å; T160-V164 WeakPolarHBondContact O-CG2 3.4Å; T160-V164 PolarHBondContact O-N 3.16Å; E161-V164 PolarHBondContact O-N 2.7Å; V164-E168 VanDerWaalsContact O-CB 3.23Å; V164-E168 WeakPolarHBondContact O-CB 3.5Å; V164-E168 PolarHBondContact O-N 3.39Å
165V60.1Low66.5Low84 Ų84115.3 Ų115.351%0.50956%0.562SS.*Hα-helixtrans-62.9-43.2176.1173.40000112.6E161 D162 K163 R169E161-V165 VanDerWaalsContact O-CG2 3.3Å; E161-V165 WeakPolarHBondContact O-CG2 3.49Å; E161-V165 PolarHBondContact O-N 3.17Å; D162-V165 CarbonylContact O-C 3.58Å; D162-V165 WeakPolarHBondContact O-CB 3.19Å; D162-V165 PolarHBondContact O-N 3.08Å; K163-V165 PolarHBondContact O-N 2.98Å; V165-R169 PolarHBondContact O-N 3.17Å; V165-R169 VanDerWaalsContact O-N 3.09Å
166W54.7Low64Low160 Ų160116.9 Ų116.961%0.60658%0.579SS**Hα-helixtrans-74.9-40.1-176.4-90.297000114.1D162 K163 E168 R169 R170D162-W166 WeakPolarHBondContact O-CB 3.37Å; D162-W166 PolarHBondContact O-N 3.06Å; K163-W166 PolarHBondContact O-N 2.98Å; W166-E168 VanDerWaalsContact C-N 3.25Å; W166-R169 PolarHBondContact O-N 3.32Å; W166-R170 PolarHBondContact O-N 3.33Å
167D58.7Low61.7Low73 Ų73113.7 Ų113.739%0.3959%0.587SS.*Hα-helixtrans-66.5-32.2174.4-82.7-17.9000111K163 R170 R171K163-D167 WeakPolarHBondContact O-CB 3.23Å; K163-D167 PolarHBondContact O-N 3.44Å; D167-R170 IonicContact OD1-CZ 2.79Å; D167-R170 IonicContact OD1-NH1 3.98Å; D167-R170 IonicContact OD1-NH2 3.94Å; D167-R170 PolarHBondContact OD1-NH2 3.45Å; D167-R171 WeakPolarHBondContact O-CG 3.46Å; D167-R171 PolarHBondContact O-N 3.2Å
168E51.1Low59.1Low76 Ų76120.8 Ų120.836%0.35561%0.608SS.*Hα-helixtrans-67.2-41.6173.1-169.2137.3-127.500112V164 W166 R170 R171 G186V164-E168 VanDerWaalsContact O-CB 3.23Å; V164-E168 WeakPolarHBondContact O-CB 3.5Å; V164-E168 PolarHBondContact O-N 3.39Å; W166-E168 VanDerWaalsContact C-N 3.25Å; E168-R170 VanDerWaalsContact C-N 3.32Å; E168-R170 PolarHBondContact O-N 3.02Å; E168-R171 PolarHBondContact O-N 3.19Å; E168-G186 WeakPolarHBondContact OE1-CA 3.35Å
169R56.1Low56.4Low177 Ų177119 Ų11967%0.66862%0.618SS**Hα-helixtrans-66.9-29.2178.6-147.6170.1-163.1167.45.2113.9V165 W166V165-R169 PolarHBondContact O-N 3.17Å; V165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 PolarHBondContact O-N 3.32Å
170R56.3Low53.7Low176 Ų176126.1 Ų126.166%0.66464%0.64SS**Hα-helixtrans-78.2-19.5176.2-101.6-178.7-69.7149.58.2113.8W166 D167 E168W166-R170 PolarHBondContact O-N 3.33Å; D167-R170 IonicContact OD1-CZ 2.79Å; D167-R170 IonicContact OD1-NH1 3.98Å; D167-R170 IonicContact OD1-NH2 3.94Å; D167-R170 PolarHBondContact OD1-NH2 3.45Å; E168-R170 VanDerWaalsContact C-N 3.32Å; E168-R170 PolarHBondContact O-N 3.02Å
171R52.4Low51.2Low212 Ų212128.6 Ų128.680%0.866%0.655SS**Hα-helixtrans-83-20178.5-70.6176-172.9-173.43.7113D167 E168 G173D167-R171 WeakPolarHBondContact O-CG 3.46Å; D167-R171 PolarHBondContact O-N 3.2Å; E168-R171 PolarHBondContact O-N 3.19Å; R171-G173 PolarHBondContact O-N 3.31Å
172I50Low49Very low101 Ų101127.4 Ų127.452%0.51866%0.656SS.*SBendtrans-8884.2173-55.3175.2000108.4T174I172-T174 VanDerWaalsContact C-N 3.26Å; I172-T174 PolarHBondContact O-N 3.05Å
173G45.3Very low47Very low70 Ų70130.7 Ų130.772%0.72267%0.67SS**  trans-7745.2-173.800000116.3R171R171-G173 PolarHBondContact O-N 3.31Å
174T44.3Very low45.3Very low103 Ų103132.3 Ų132.363%0.63268%0.68SS**  trans-140.811317136.40000112.5I172 T176I172-T174 VanDerWaalsContact C-N 3.26Å; I172-T174 PolarHBondContact O-N 3.05Å; T174-T176 PolarHBondContact O-N 3.41Å
175P46.9Very low44.2Very low137 Ų137134.7 Ų134.789%0.8968%0.683SS**  trans-86.184.6171.533.1-27.9000109.1
176T38.2Very low43.3Very low130 Ų130131.1 Ų131.180%0.79866%0.663SS**  trans-86125.4162.228.10000109.6T174T174-T176 PolarHBondContact O-N 3.41Å
177A41.6Very low42.8Very low94 Ų94130 Ų13078%0.77767%0.669SS**SBendtrans-57.1147.3-170.600000113.4
178R35.1Very low42Very low240 Ų240132.3 Ų132.391%0.90668%0.681SS**  trans77.484.5179.5-60.5-179173.5165.1-1.1114R180R178-R180 PolarHBondContact O-N 2.77Å
179A33.5Very low41.7Very low95 Ų95135.8 Ų135.879%0.78570%0.695SS**  trans-57.487.5158.500000110.3
180R32.6Very low41.3Very low222 Ų222138.3 Ų138.384%0.83871%0.705SS**  trans-65.7131.3138.9-82.4-178169.8172.9-2.6105.2R178 T182R178-R180 PolarHBondContact O-N 2.77Å; R180-T182 PolarHBondContact O-N 3.11Å
181V31.7Very low41.1Very low136 Ų136134.2 Ų134.282%0.82471%0.708SS**  trans-68.477.1168.6-179.90000106.5
182T30.1Very low41.1Very low94 Ų94129.2 Ų129.258%0.57769%0.694SS**  trans-79.2115.4160.4-27.90000104.1R180 E184R180-T182 PolarHBondContact O-N 3.11Å; T182-E184 HydrophobicContact CG2-CG 3.85Å; T182-E184 PolarHBondContact O-N 3.19Å
183M32.8Very low41.3Very low148 Ų148128.3 Ų128.373%0.72969%0.693SS**  trans-67.571.7168.8-63.2-173.4-17800108.2F185M183-F185 HydrophobicContact CB-CD2 4.12Å; M183-F185 HydrophobicContact CB-CE2 3.55Å; M183-F185 HydrophobicContact CB-CZ 4.15Å; M183-F185 HydrophobicContact CG-CE2 4.43Å; M183-F185 VanDerWaalsContact O-CD2 3.28Å; M183-F185 WeakPolarHBondContact O-CD2 3.36Å; M183-F185 PolarHBondContact O-N 2.94Å; M183-F185 HydrophobicContact SD-CE2 4.27Å; M183-F185 HydrophobicContact SD-CZ 4.22Å
184E33.7Very low42.2Very low163 Ų163133.1 Ų133.176%0.76270%0.701SS**  trans-94.391.1170.2-73.9-171.9179.300107.4T182T182-E184 HydrophobicContact CG2-CG 3.85Å; T182-E184 PolarHBondContact O-N 3.19Å
185F43.3Very low43.4Very low137 Ų137136 Ų13660%0.60171%0.708SS**  trans-65.9158.6175.2-63-93.7000111.5M183M183-F185 HydrophobicContact CB-CD2 4.12Å; M183-F185 HydrophobicContact CB-CE2 3.55Å; M183-F185 HydrophobicContact CB-CZ 4.15Å; M183-F185 HydrophobicContact CG-CE2 4.43Å; M183-F185 VanDerWaalsContact O-CD2 3.28Å; M183-F185 WeakPolarHBondContact O-CD2 3.36Å; M183-F185 PolarHBondContact O-N 2.94Å; M183-F185 HydrophobicContact SD-CE2 4.27Å; M183-F185 HydrophobicContact SD-CZ 4.22Å
186G41.6Very low44.6Very low9 Ų9130.5 Ų130.59%0.09368%0.676CS.*  trans-41.8151.4-171.200000119.2E168 D188 Q192E168-G186 WeakPolarHBondContact OE1-CA 3.35Å; G186-D188 PolarHBondContact O-N 3.26Å; G186-Q192 PolarHBondContact O-NE2 2.8Å
187L43Very low46.9Very low138 Ų138128 Ų12872%0.72366%0.657SS**SBendtrans-7827.8-179.8-86163.1000114.2
188D41.9Very low49.2Very low120 Ų120127.2 Ų127.264%0.64265%0.651SS**  trans-105.664.8149.2-89.5-34.4000108.4G186 R190 A191G186-D188 PolarHBondContact O-N 3.26Å; D188-R190 PolarHBondContact O-N 3.34Å; D188-A191 HydrophobicContact CB-CB 4.47Å; D188-A191 PolarHBondContact O-N 3.43Å
189K45.3Very low51.9Low150 Ų150116.5 Ų116.565%0.65261%0.611SS**Hα-helixtrans-53.7-21.1173.7-67.7-173.1177.5-175.80112.7A191 T193K189-A191 VanDerWaalsContact C-N 3.32Å; K189-A191 PolarHBondContact O-N 3.18Å; K189-T193 PolarHBondContact O-OG1 3.18Å
190R48.2Very low54.8Low230 Ų230115.7 Ų115.787%0.86860%0.598SS**Hα-helixtrans-66.5-26174.5-72.6-176.5178.8167.4-0114.1D188 T193D188-R190 PolarHBondContact O-N 3.34Å; R190-T193 VanDerWaalsContact O-O 3.06Å
191A50.7Low57.8Low89 Ų89105.5 Ų105.574%0.73656%0.559SS**Hα-helixtrans-93.7-22.7-177.500000113.2D188 K189D188-A191 HydrophobicContact CB-CB 4.47Å; D188-A191 PolarHBondContact O-N 3.43Å; K189-A191 VanDerWaalsContact C-N 3.32Å; K189-A191 PolarHBondContact O-N 3.18Å
192Q52.4Low60.8Low108 Ų108101.7 Ų101.751%0.50553%0.533SS..Hα-helixtrans-82.7-23.8-179.7-75.8166.519.100113.8G186G186-Q192 PolarHBondContact O-NE2 2.8Å
193T55.3Low63.9Low82 Ų82104 Ų10450%0.50354%0.537SS..SBendtrans-118.9132.3173.357.70000108.1K189 R190 Q195K189-T193 PolarHBondContact O-OG1 3.18Å; R190-T193 VanDerWaalsContact O-O 3.06Å; T193-Q195 PolarHBondContact O-N 2.72Å
194L64.4Low66.9Low170 Ų170101 Ų10189%0.8952%0.524SS*.  trans-53.5135.2169.5-69.6169.6000108.1G196L194-G196 PolarHBondContact O-N 2.96Å
195Q68.3Low69.8Low165 Ų16593.2 Ų93.277%0.77149%0.487SS*.  trans-53.5115.1-179.4-174.4174.7-14.400109.4T193T193-Q195 PolarHBondContact O-N 2.72Å
196G73Confident72.2Confident21 Ų2190.4 Ų90.422%0.21648%0.475CS..  trans-59.8143.6-174.700000112.5L194 R297L194-G196 PolarHBondContact O-N 2.96Å; G196-R297 WeakPolarHBondContact O-CG 3.43Å; G196-R297 PolarHBondContact O-NE 3.28Å; G196-R297 VanDerWaalsContact O-NE 3.09Å
197L86.7Confident74.7Confident77 Ų7796.5 Ų96.540%0.40350%0.495SS..  trans-76.4135178.6-69.8173.7000110.2L290 S293 C294 R297L197-L290 HydrophobicContact CD1-CD2 3.86Å; L197-S293 PolarHBondContact N-O 3.44Å; L197-C294 WeakPolarHBondContact O-CA 3.05Å; L197-R297 WeakPolarHBondContact O-CB 3.31Å; L197-R297 VanDerWaalsContact O-CG 3.31Å; L197-R297 WeakPolarHBondContact O-CG 3.47Å
198A88.6Confident77.2Confident78 Ų7890.1 Ų90.165%0.64546%0.462SS*.  trans-110.296.4-177.500000110.2R297A198-R297 HydrophobicContact CB-CB 4.39Å; A198-R297 HydrophobicContact CB-CG 4.28Å
199F93.8Very high79.7Confident14 Ų1484.4 Ų84.46%0.06143%0.432CS..PPolyproline II helixtrans-86.9128.9171.2-79.615.5000109.3L224 E229 I231 L290F199-L224 HydrophobicContact CD2-CD2 4.11Å; F199-L224 HydrophobicContact CD2-CG 4.13Å; F199-L224 HydrophobicContact CE2-CD2 4.2Å; F199-E229 WeakPolarHBondContact CB-O 3.41Å; F199-E229 HydrophobicContact CD1-CB 4.11Å; F199-E229 HydrophobicContact CD2-CB 4.27Å; F199-E229 WeakPolarHBondContact CD2-O 3.48Å; F199-E229 HydrophobicContact CE1-CB 3.7Å; F199-E229 HydrophobicContact CE1-CG 4.06Å; F199-E229 VanDerWaalsContact CE2-CA 3.43Å; F199-E229 HydrophobicContact CE2-CB 3.89Å; F199-E229 HydrophobicContact CE2-CG 4.28Å; F199-E229 HydrophobicContact CG-CB 4.38Å; F199-E229 WeakPolarHBondContact CG-O 3.37Å; F199-E229 HydrophobicContact CZ-CB 3.56Å; F199-E229 HydrophobicContact CZ-CG 3.68Å; F199-I231 HydrophobicContact CB-CD1 4.17Å; F199-I231 HydrophobicContact CB-CG1 3.8Å; F199-L290 HydrophobicContact CE1-CD2 4.35Å; F199-L290 HydrophobicContact CE2-CD2 4.44Å; F199-L290 HydrophobicContact CZ-CD1 4.34Å; F199-L290 HydrophobicContact CZ-CD2 3.72Å
200P94Very high82Confident79 Ų7982 Ų8251%0.51342%0.423SS..PPolyproline II helixtrans-65.6138.8179.726.3-35.6000111.8E229 T230 I231P200-E229 WeakPolarHBondContact CD-O 3.48Å; P200-T230 HydrophobicContact CG-CG2 4Å; P200-I231 PolarHBondContact O-N 3.37Å
201L94.1Very high84.1Confident7 Ų774.8 Ų74.84%0.03740%0.399CS..BIsolated β-bridgetrans-73.6132.6170-77.985.1000111.1A205 K206 L209 I231 L298 E301L201-A205 HydrophobicContact CB-CB 4.47Å; L201-A205 HydrophobicContact CD2-CB 4.19Å; L201-K206 HydrophobicContact CB-CD 4.46Å; L201-K206 HydrophobicContact CB-CG 3.8Å; L201-K206 WeakPolarHBondContact O-CE 3.29Å; L201-L209 HydrophobicContact CD2-CD1 3.38Å; L201-I231 HydrophobicContact CD1-CD1 4.39Å; L201-I231 HydrophobicContact CG-CB 4.3Å; L201-L298 HydrophobicContact CD1-CD1 3.79Å; L201-L298 HydrophobicContact CD2-CD1 4.03Å; L201-L298 HydrophobicContact CG-CD1 4.21Å; L201-E301 WeakPolarHBondContact CD1-OE1 3.42Å; L201-E301 VanDerWaalsContact CD1-OE2 3.26Å; L201-E301 WeakPolarHBondContact CD1-OE2 3.32Å
202Q95.9Very high86.2Confident56 Ų5670.8 Ų70.826%0.26237%0.365SS..PPolyproline II helixtrans-65.8155168.5-71.4-65.5-17.500111.6D204 A205 K206 T230 I231 E232Q202-D204 PolarHBondContact O-N 2.89Å; Q202-A205 PolarHBondContact O-N 3.38Å; Q202-K206 WeakPolarHBondContact O-CG 3.46Å; Q202-K206 PolarHBondContact O-N 2.89Å; Q202-K206 VanDerWaalsContact O-N 3.1Å; Q202-T230 PolarHBondContact NE2-OG1 3.18Å; Q202-I231 PolarHBondContact N-O 3.03Å; Q202-E232 HydrophobicContact CG-CG 3.96Å
203E94.4Very high88Confident144 Ų14469.5 Ų69.567%0.67336%0.358SS*.Hα-helixtrans-55.8-37.5-177.3-64.8-170.9162.300113.1A205 K206 R207E203-A205 PolarHBondContact O-N 2.7Å; E203-K206 PolarHBondContact O-N 3.18Å; E203-R207 WeakPolarHBondContact O-CG 3.2Å; E203-R207 PolarHBondContact O-N 3.41Å
204D95.4Very high89.6Confident83 Ų8371.6 Ų71.644%0.44436%0.362SS..Hα-helixtrans-62.1-42.7176.9-69.5-27.2000112.8Q202 R207 A208 L233Q202-D204 PolarHBondContact O-N 2.89Å; D204-R207 PolarHBondContact O-N 2.98Å; D204-R207 IonicContact OD1-CZ 3.97Å; D204-R207 IonicContact OD1-NE 2.66Å; D204-R207 IonicContact OD1-NH2 2.63Å; D204-R207 PolarHBondContact OD1-NH2 2.97Å; D204-A208 PolarHBondContact O-N 3.01Å; D204-L233 HydrophobicContact CB-CB 4.03Å; D204-L233 HydrophobicContact CB-CD2 4.08Å
205A94.5Very high90.7Very high0 Ų070.5 Ų70.50%035%0.35CS..Hα-helixtrans-66.8-40.9177.300000111.1L201 Q202 E203 R207 A208 L209 L222 L233L201-A205 HydrophobicContact CB-CB 4.47Å; L201-A205 HydrophobicContact CD2-CB 4.19Å; Q202-A205 PolarHBondContact O-N 3.38Å; E203-A205 PolarHBondContact O-N 2.7Å; A205-R207 PolarHBondContact O-N 3.36Å; A205-A208 PolarHBondContact O-N 3.4Å; A205-L209 WeakPolarHBondContact O-CG 3.48Å; A205-L209 PolarHBondContact O-N 3.22Å; A205-L222 HydrophobicContact CB-CD2 3.82Å; A205-L233 HydrophobicContact CB-CB 4.23Å
206K94.2Very high91.8Very high78 Ų7872.2 Ų72.234%0.33935%0.349SS..Hα-helixtrans-61-44.3174.9-62-172.7171.4170.60111.6L201 Q202 E203 L209 Q210 Y306L201-K206 HydrophobicContact CB-CD 4.46Å; L201-K206 HydrophobicContact CB-CG 3.8Å; L201-K206 WeakPolarHBondContact O-CE 3.29Å; Q202-K206 WeakPolarHBondContact O-CG 3.46Å; Q202-K206 PolarHBondContact O-N 2.89Å; Q202-K206 VanDerWaalsContact O-N 3.1Å; E203-K206 PolarHBondContact O-N 3.18Å; K206-L209 PolarHBondContact O-N 3.4Å; K206-Q210 WeakPolarHBondContact O-CG 3.43Å; K206-Q210 PolarHBondContact O-N 3.48Å; K206-Q210 VanDerWaalsContact O-N 3.07Å; K206-Y306 WeakPolarHBondContact CB-OH 3.43Å; K206-Y306 WeakPolarHBondContact CD-OH 3.45Å; K206-Y306 WeakPolarHBondContact CG-OH 3.46Å
207R94.9Very high92.8Very high138 Ų13872.4 Ų72.452%0.52135%0.345SS..Hα-helixtrans-62.3-41.6175.4-72.7-169.1-67.9-162.92.1112E203 D204 A205 Q210 Q211E203-R207 WeakPolarHBondContact O-CG 3.2Å; E203-R207 PolarHBondContact O-N 3.41Å; D204-R207 PolarHBondContact O-N 2.98Å; D204-R207 IonicContact OD1-CZ 3.97Å; D204-R207 IonicContact OD1-NE 2.66Å; D204-R207 IonicContact OD1-NH2 2.63Å; D204-R207 PolarHBondContact OD1-NH2 2.97Å; A205-R207 PolarHBondContact O-N 3.36Å; R207-Q210 PolarHBondContact O-N 2.74Å; R207-Q211 WeakPolarHBondContact O-CG 3.36Å; R207-Q211 PolarHBondContact O-N 2.8Å
208A94.9Very high93.2Very high3 Ų369.7 Ų69.73%0.02533%0.331CS..Hα-helixtrans-62.7-45.9176.700000112D204 A205 Q210 Q211 L212 I217 I220 L233 T236D204-A208 PolarHBondContact O-N 3.01Å; A205-A208 PolarHBondContact O-N 3.4Å; A208-Q210 VanDerWaalsContact C-N 3.3Å; A208-Q210 PolarHBondContact O-N 2.59Å; A208-Q211 WeakPolarHBondContact O-CB 3.4Å; A208-Q211 PolarHBondContact O-N 2.56Å; A208-L212 PolarHBondContact O-N 3.07Å; A208-I217 HydrophobicContact CB-CD1 4.34Å; A208-I217 WeakPolarHBondContact O-CD1 3.46Å; A208-I220 HydrophobicContact CB-CD1 3.86Å; A208-I220 HydrophobicContact CB-CG1 4.27Å; A208-I220 HydrophobicContact CB-CG2 4.43Å; A208-L233 HydrophobicContact CB-CD1 3.89Å; A208-L233 HydrophobicContact CB-CD2 4.05Å; A208-T236 HydrophobicContact CB-CG2 3.72Å
209L94.2Very high93.6Very high0 Ų066 Ų660%030%0.3CS..Hα-helixtrans-59.7-39.8175.8-71.7167.2000112.1L201 A205 K206 L212 K213 I220 F257 V302 Y306 L308L201-L209 HydrophobicContact CD2-CD1 3.38Å; A205-L209 WeakPolarHBondContact O-CG 3.48Å; A205-L209 PolarHBondContact O-N 3.22Å; K206-L209 PolarHBondContact O-N 3.4Å; L209-L212 WeakPolarHBondContact O-CB 3.35Å; L209-L212 PolarHBondContact O-N 2.55Å; L209-K213 PolarHBondContact O-N 3.08Å; L209-I220 HydrophobicContact CD2-CD1 3.96Å; L209-I220 HydrophobicContact CG-CD1 4.27Å; L209-F257 HydrophobicContact CD2-CD2 4.36Å; L209-F257 HydrophobicContact CD2-CE2 4.3Å; L209-V302 HydrophobicContact CD1-CG2 3.89Å; L209-V302 HydrophobicContact CD2-CG1 4.38Å; L209-V302 HydrophobicContact CD2-CG2 4.02Å; L209-Y306 HydrophobicContact CB-CD1 3.94Å; L209-Y306 HydrophobicContact CB-CE1 4.17Å; L209-Y306 HydrophobicContact CB-CG 4.3Å; L209-Y306 HydrophobicContact CD1-CD2 4.37Å; L209-Y306 HydrophobicContact CD1-CE2 4.24Å; L209-L308 HydrophobicContact CB-CD1 4.36Å; L209-L308 HydrophobicContact CD2-CD1 4.03Å
210Q93.6Very high93.8Very high101 Ų10165.3 Ų65.347%0.47230%0.297SS..Hα-helixtrans-63.8-40.4173-70.3175.3-3.600112.2K206 R207 A208 L212 K213 H214 Y306K206-Q210 WeakPolarHBondContact O-CG 3.43Å; K206-Q210 PolarHBondContact O-N 3.48Å; K206-Q210 VanDerWaalsContact O-N 3.07Å; R207-Q210 PolarHBondContact O-N 2.74Å; A208-Q210 VanDerWaalsContact C-N 3.3Å; A208-Q210 PolarHBondContact O-N 2.59Å; Q210-L212 VanDerWaalsContact C-N 3.33Å; Q210-K213 WeakPolarHBondContact O-CB 3.24Å; Q210-K213 PolarHBondContact O-N 2.84Å; Q210-H214 PolarHBondContact O-N 2.95Å; Q210-H214 PolarHBondContact O-ND1 2.93Å; Q210-Y306 HydrophobicContact CG-CD1 4.02Å; Q210-Y306 HydrophobicContact CG-CE1 3.95Å
211Q93.8Very high94Very high78 Ų7862 Ų6236%0.36428%0.275SS..Hα-helixtrans-65.5-36.4175.7-71.6176.93.600112.3R207 A208 H214 K215 R216 I217R207-Q211 WeakPolarHBondContact O-CG 3.36Å; R207-Q211 PolarHBondContact O-N 2.8Å; A208-Q211 WeakPolarHBondContact O-CB 3.4Å; A208-Q211 PolarHBondContact O-N 2.56Å; Q211-H214 CarbonylContact O-C 3.19Å; Q211-H214 PolarHBondContact O-N 3.28Å; Q211-K215 PolarHBondContact O-N 2.75Å; Q211-R216 HydrophobicContact CB-CB 4.48Å; Q211-R216 PolarHBondContact O-N 2.79Å; Q211-I217 HydrophobicContact CB-CD1 3.98Å; Q211-I217 HydrophobicContact CB-CG1 4.01Å; Q211-I217 HydrophobicContact CB-CG2 4.42Å
212L92.9Very high94.1Very high5 Ų561.7 Ų61.73%0.02627%0.273CS..Hα-helixtrans-64.1-41.9174.7-172.572.5000111.2A208 L209 Q210 H214 K215 I217 I220 F257 V259 L272 L308A208-L212 PolarHBondContact O-N 3.07Å; L209-L212 WeakPolarHBondContact O-CB 3.35Å; L209-L212 PolarHBondContact O-N 2.55Å; Q210-L212 VanDerWaalsContact C-N 3.33Å; L212-H214 VanDerWaalsContact C-N 3.29Å; L212-H214 PolarHBondContact O-N 2.83Å; L212-K215 WeakPolarHBondContact O-CA 3.25Å; L212-K215 PolarHBondContact O-N 2.79Å; L212-I217 HydrophobicContact CB-CD1 4.26Å; L212-I217 HydrophobicContact CB-CG1 4.02Å; L212-I217 HydrophobicContact CD1-CG1 4.15Å; L212-I217 WeakPolarHBondContact CD1-O 3.46Å; L212-I220 HydrophobicContact CB-CD1 3.92Å; L212-I220 HydrophobicContact CD2-CD1 3.82Å; L212-I220 HydrophobicContact CD2-CG1 4.39Å; L212-I220 HydrophobicContact CG-CD1 4.36Å; L212-F257 HydrophobicContact CD2-CB 3.86Å; L212-F257 HydrophobicContact CD2-CG 4.45Å; L212-V259 HydrophobicContact CD1-CG2 3.67Å; L212-L272 HydrophobicContact CD2-CD1 3.94Å; L212-L308 HydrophobicContact CD2-CD1 4.21Å
213K90.4Very high94.1Very high81 Ų8164.2 Ų64.235%0.35228%0.28SS..Hα-helixtrans-57.2-41.7174-173.4-176.5-170.3157.50112.5L209 Q210 K215 Y306 L308L209-K213 PolarHBondContact O-N 3.08Å; Q210-K213 WeakPolarHBondContact O-CB 3.24Å; Q210-K213 PolarHBondContact O-N 2.84Å; K213-K215 PolarHBondContact O-N 2.88Å; K213-Y306 VanDerWaalsContact CD-O 3.24Å; K213-Y306 WeakPolarHBondContact CD-O 3.34Å; K213-Y306 VanDerWaalsContact CE-O 3.26Å; K213-Y306 WeakPolarHBondContact CE-O 3.47Å; K213-Y306 PolarHBondContact NZ-O 3.35Å; K213-L308 HydrophobicContact CB-CD2 4.02Å; K213-L308 HydrophobicContact CB-CG 4.4Å; K213-L308 HydrophobicContact CG-CD2 4.47Å
214H90.1Very high94.2Very high125 Ų12557.8 Ų57.858%0.57925%0.251SS*.THydrogen-bonded Turntrans-81.19.4176.5-62.790.1000113.2Q210 Q211 L212 R216Q210-H214 PolarHBondContact O-N 2.95Å; Q210-H214 PolarHBondContact O-ND1 2.93Å; Q211-H214 CarbonylContact O-C 3.19Å; Q211-H214 PolarHBondContact O-N 3.28Å; L212-H214 VanDerWaalsContact C-N 3.29Å; L212-H214 PolarHBondContact O-N 2.83Å; H214-R216 HydrophobicContact CB-CG 4.19Å; H214-R216 PolarHBondContact O-N 3.05Å; H214-R216 VanDerWaalsContact O-N 3.09Å
215K87Confident94.1Very high148 Ų14855.3 Ų55.364%0.64324%0.238SC*.THydrogen-bonded Turntrans53.228.6-179-56.2-171.8175.6-165.30114Q211 L212 K213 E270Q211-K215 PolarHBondContact O-N 2.75Å; L212-K215 WeakPolarHBondContact O-CA 3.25Å; L212-K215 PolarHBondContact O-N 2.79Å; K213-K215 PolarHBondContact O-N 2.88Å; K215-E270 WeakPolarHBondContact CE-OE2 3.44Å; K215-E270 IonicContact NZ-OE2 3.54Å; K215-E270 PolarHBondContact NZ-OE2 3.37Å
216R91.3Very high93.8Very high200 Ų20056.6 Ų56.676%0.75525%0.245SC*.SBendtrans-80.6-26.3177.1-68.9-173.9177.2173.60.7112.6Q211 H214Q211-R216 HydrophobicContact CB-CB 4.48Å; Q211-R216 PolarHBondContact O-N 2.79Å; H214-R216 HydrophobicContact CB-CG 4.19Å; H214-R216 PolarHBondContact O-N 3.05Å; H214-R216 VanDerWaalsContact O-N 3.09Å
217I94.9Very high93.7Very high25 Ų2561.5 Ų61.513%0.12827%0.269CS..  trans-125154.1174.961.9174.2000108.6A208 Q211 L212 I220 T236A208-I217 HydrophobicContact CB-CD1 4.34Å; A208-I217 WeakPolarHBondContact O-CD1 3.46Å; Q211-I217 HydrophobicContact CB-CD1 3.98Å; Q211-I217 HydrophobicContact CB-CG1 4.01Å; Q211-I217 HydrophobicContact CB-CG2 4.42Å; L212-I217 HydrophobicContact CB-CD1 4.26Å; L212-I217 HydrophobicContact CB-CG1 4.02Å; L212-I217 HydrophobicContact CD1-CG1 4.15Å; L212-I217 WeakPolarHBondContact CD1-O 3.46Å; I217-I220 HydrophobicContact CD1-CD1 4.04Å; I217-I220 HydrophobicContact CD1-CG1 3.68Å; I217-T236 HydrophobicContact CD1-CG2 3.77Å
218N94.7Very high93.6Very high20 Ų2062 Ų6211%0.10727%0.271CS..SBendtrans-110.9-7.7179.262.6-1.9000113.3P238 T239 V259N218-P238 WeakPolarHBondContact OD1-CA 3.44Å; N218-T239 PolarHBondContact ND2-O 3.26Å; N218-T239 PolarHBondContact OD1-N 3.46Å; N218-T239 VanDerWaalsContact OD1-N 3.11Å; N218-V259 HydrophobicContact CB-CB 4.27Å; N218-V259 PolarHBondContact O-N 2.99Å
219Y96.9Very high93.6Very high0 Ų067.2 Ų67.20%030%0.295CS..EExtended strand (participates in β ladder)trans-148138.3-175.2178.9-93.5000112.3Q221 H235 T236 T239 L244 R247 H256 F257 F258Y219-Q221 HydrophobicContact CE1-CB 3.76Å; Y219-Q221 PolarHBondContact OH-NE2 3.35Å; Y219-Q221 VanDerWaalsContact OH-NE2 3.16Å; Y219-H235 AromaticContact CD1-CE1 3.93Å; Y219-H235 AromaticContact CE1-CE1 3.35Å; Y219-H235 WeakPolarHBondContact CE1-CE1 3.41Å; Y219-H235 AromaticContact CE1-ND1 3.83Å; Y219-T236 WeakPolarHBondContact O-CA 3.35Å; Y219-T239 HydrophobicContact CD2-CG2 4.43Å; Y219-L244 HydrophobicContact CD2-CD1 4.06Å; Y219-L244 HydrophobicContact CE2-CD1 3.72Å; Y219-R247 HydrophobicContact CE1-CB 4.48Å; Y219-R247 HydrophobicContact CE1-CG 4.45Å; Y219-R247 HydrophobicContact CE2-CB 4.37Å; Y219-R247 WeakPolarHBondContact OH-CB 3.28Å; Y219-H256 HydrophobicContact CE2-CB 4.05Å; Y219-H256 AromaticContact CE2-ND1 3.98Å; Y219-H256 AromaticContact CZ-ND1 3.69Å; Y219-H256 PolarHBondContact OH-ND1 2.99Å; Y219-F257 CarbonylContact C-O 3.57Å; Y219-F257 VanDerWaalsContact CA-O 3.28Å; Y219-F257 WeakPolarHBondContact CA-O 3.39Å; Y219-F258 HydrophobicContact CD2-CB 4.23Å; Y219-F258 HydrophobicContact CD2-CD2 4.08Å
220I97.5Very high93.6Very high0 Ų067.8 Ų67.80%030%0.298CS..EExtended strand (participates in β ladder)trans-131.6134170.7-56.9-179.9000108.4A208 L209 L212 I217 L222 L233 T236 H256 F257A208-I220 HydrophobicContact CB-CD1 3.86Å; A208-I220 HydrophobicContact CB-CG1 4.27Å; A208-I220 HydrophobicContact CB-CG2 4.43Å; L209-I220 HydrophobicContact CD2-CD1 3.96Å; L209-I220 HydrophobicContact CG-CD1 4.27Å; L212-I220 HydrophobicContact CB-CD1 3.92Å; L212-I220 HydrophobicContact CD2-CD1 3.82Å; L212-I220 HydrophobicContact CD2-CG1 4.39Å; L212-I220 HydrophobicContact CG-CD1 4.36Å; I217-I220 HydrophobicContact CD1-CD1 4.04Å; I217-I220 HydrophobicContact CD1-CG1 3.68Å; I220-L222 HydrophobicContact CG2-CD2 3.65Å; I220-L222 HydrophobicContact CG2-CG 3.91Å; I220-L233 HydrophobicContact CG2-CD1 3.67Å; I220-T236 HydrophobicContact CG1-CG2 4.38Å; I220-H256 CarbonylContact O-C 3.47Å; I220-H256 VanDerWaalsContact O-CA 3.26Å; I220-H256 WeakPolarHBondContact O-CA 3.47Å; I220-F257 HydrophobicContact CB-CB 4.22Å; I220-F257 PolarHBondContact N-O 2.81Å; I220-F257 PolarHBondContact O-N 3Å
221Q97.6Very high93.8Very high10 Ų1063 Ų635%0.04728%0.276CS..EExtended strand (participates in β ladder)trans-112.7128.6164.7-175.4173.987.700110.6Y219 V234 H235 R247 R254 Y255 H256Y219-Q221 HydrophobicContact CE1-CB 3.76Å; Y219-Q221 PolarHBondContact OH-NE2 3.35Å; Y219-Q221 VanDerWaalsContact OH-NE2 3.16Å; Q221-V234 HydrophobicContact CB-CB 4.23Å; Q221-V234 HydrophobicContact CG-CB 4.06Å; Q221-V234 HydrophobicContact CG-CG2 4.19Å; Q221-V234 PolarHBondContact O-N 2.54Å; Q221-H235 PolarHBondContact N-O 2.88Å; Q221-R247 PolarHBondContact NE2-O 2.87Å; Q221-R254 HydrophobicContact CG-CB 4.17Å; Q221-R254 HydrophobicContact CG-CG 4.15Å; Q221-Y255 WeakPolarHBondContact CA-O 3.3Å; Q221-H256 PolarHBondContact NE2-CE1 3.24Å; Q221-H256 VanDerWaalsContact NE2-CE1 3.26Å
222L97.5Very high93.9Very high0 Ų060.5 Ų60.50%027%0.265CS..EExtended strand (participates in β ladder)trans-115.9149.4176.4-53.5175.3000110.8A205 I220 I231 E232 L233 R254 Y255 F257 L298A205-L222 HydrophobicContact CB-CD2 3.82Å; I220-L222 HydrophobicContact CG2-CD2 3.65Å; I220-L222 HydrophobicContact CG2-CG 3.91Å; L222-I231 HydrophobicContact CB-CG2 4.02Å; L222-I231 HydrophobicContact CD1-CG2 3.98Å; L222-I231 HydrophobicContact CG-CG2 4.44Å; L222-E232 WeakPolarHBondContact CA-O 3.4Å; L222-L233 HydrophobicContact CD2-CB 4.47Å; L222-L233 HydrophobicContact CD2-CD1 4.01Å; L222-R254 VanDerWaalsContact O-CD 3.3Å; L222-R254 WeakPolarHBondContact O-CD 3.25Å; L222-Y255 PolarHBondContact N-O 3.21Å; L222-Y255 PolarHBondContact O-N 3.31Å; L222-Y255 VanDerWaalsContact O-N 3.07Å; L222-F257 HydrophobicContact CD1-CD2 4.36Å; L222-F257 HydrophobicContact CD1-CE2 3.91Å; L222-L298 HydrophobicContact CD1-CD1 4.46Å; L222-L298 HydrophobicContact CD1-CD2 4.21Å
223R96.1Very high94.1Very high109 Ų10962.6 Ų62.641%0.41128%0.276SS..EExtended strand (participates in β ladder)trans-125.7152.3169.969.3176-173.41694.2109.9E232 V234 Y291R223-E232 HydrophobicContact CG-CB 4.1Å; R223-E232 IonicContact CZ-OE2 3.67Å; R223-E232 PolarHBondContact N-O 3.17Å; R223-E232 IonicContact NE-OE2 2.8Å; R223-E232 PolarHBondContact NE-OE2 3.1Å; R223-E232 VanDerWaalsContact NE-OE2 3.14Å; R223-E232 IonicContact NH2-OE2 3.86Å; R223-E232 PolarHBondContact NH2-OE2 3.02Å; R223-E232 PolarHBondContact O-N 3.45Å; R223-V234 HydrophobicContact CB-CG2 3.7Å; R223-V234 HydrophobicContact CG-CG2 3.68Å; R223-Y291 WeakPolarHBondContact CA-OH 3.33Å
224L95.3Very high94.4Very high10 Ų1061.6 Ų61.65%0.05228%0.276CS..EExtended strand (participates in β ladder)trans-88.3131.9165-81.460.1000109F199 I231 Y255 L290 Y291 C294F199-L224 HydrophobicContact CD2-CD2 4.11Å; F199-L224 HydrophobicContact CD2-CG 4.13Å; F199-L224 HydrophobicContact CE2-CD2 4.2Å; L224-I231 HydrophobicContact CD1-CG1 4.19Å; L224-I231 HydrophobicContact CG-CG1 4.31Å; L224-Y255 HydrophobicContact CD1-CD2 3.98Å; L224-Y255 HydrophobicContact CD1-CE2 3.42Å; L224-Y255 VanDerWaalsContact CD1-CE2 3.42Å; L224-L290 HydrophobicContact CD2-CB 4.07Å; L224-Y291 HydrophobicContact CB-CD2 4.2Å; L224-Y291 HydrophobicContact CB-CE1 4.42Å; L224-Y291 HydrophobicContact CB-CE2 3.61Å; L224-Y291 HydrophobicContact CD1-CD1 3.87Å; L224-Y291 HydrophobicContact CD1-CD2 4.43Å; L224-Y291 HydrophobicContact CD1-CE1 3.69Å; L224-Y291 HydrophobicContact CD1-CE2 4.28Å; L224-Y291 HydrophobicContact CD1-CG 4.26Å; L224-Y291 HydrophobicContact CD2-CD2 3.88Å; L224-Y291 HydrophobicContact CD2-CE2 4.17Å; L224-Y291 HydrophobicContact CD2-CG 4.1Å; L224-Y291 HydrophobicContact CG-CD2 4.39Å; L224-Y291 HydrophobicContact CG-CE1 4.49Å; L224-Y291 HydrophobicContact CG-CE2 4.22Å; L224-Y291 PolarHBondContact N-OH 3.16Å; L224-C294 HydrophobicContact CD2-CB 4.09Å
225D93.9Very high94.6Very high31 Ų3157.4 Ų57.417%0.16626%0.257CS..EExtended strand (participates in β ladder)trans-85.5112.8160.2-172.6-30.3000108.4E227 R228 E229 T230 E232D225-E227 VanDerWaalsContact C-N 3.33Å; D225-E227 PolarHBondContact OD1-N 3.36Å; D225-R228 HydrophobicContact CB-CB 4.23Å; D225-R228 PolarHBondContact OD1-N 3.5Å; D225-R228 WeakPolarHBondContact OD2-CD 3.03Å; D225-R228 WeakPolarHBondContact OD2-CG 3.46Å; D225-E229 VanDerWaalsContact O-CA 3.26Å; D225-E229 WeakPolarHBondContact O-CA 3.35Å; D225-E229 PolarHBondContact O-N 3.3Å; D225-T230 PolarHBondContact N-O 3.47Å; D225-T230 PolarHBondContact O-N 2.9Å; D225-E232 HydrophobicContact CB-CG 4.25Å
226V89.1Confident95Very high27 Ų2752.4 Ų52.416%0.16424%0.238CC..THydrogen-bonded Turntrans-76.6-21.4-176.5176.80000112.5K286 E287 L290V226-K286 HydrophobicContact CG1-CD 3.74Å; V226-K286 VanDerWaalsContact CG1-CE 3.42Å; V226-K286 HydrophobicContact CG1-CG 4.22Å; V226-E287 HydrophobicContact CG2-CG 3.88Å; V226-L290 HydrophobicContact CB-CD1 4.29Å; V226-L290 HydrophobicContact CG1-CD1 3.7Å; V226-L290 HydrophobicContact CG2-CD1 4.04Å
227E90.9Very high95.1Very high180 Ų18048.7 Ų48.784%0.84123%0.228SC*.THydrogen-bonded Turntrans-87.6-43.1179.4-62.9-175.4176.400111D225D225-E227 VanDerWaalsContact C-N 3.33Å; D225-E227 PolarHBondContact OD1-N 3.36Å
228R92.4Very high95.1Very high148 Ų14852.3 Ų52.356%0.55825%0.253SS*.THydrogen-bonded Turntrans-88-10-179.6-59.8179.166.6-152.23113.6D225 T230 E232D225-R228 HydrophobicContact CB-CB 4.23Å; D225-R228 PolarHBondContact OD1-N 3.5Å; D225-R228 WeakPolarHBondContact OD2-CD 3.03Å; D225-R228 WeakPolarHBondContact OD2-CG 3.46Å; R228-T230 VanDerWaalsContact C-N 3.29Å; R228-T230 HydrophobicContact CB-CG2 4.26Å; R228-T230 VanDerWaalsContact O-CG2 3.3Å; R228-T230 WeakPolarHBondContact O-CG2 3.37Å; R228-T230 PolarHBondContact O-N 2.7Å; R228-E232 IonicContact NH1-OE1 3.56Å; R228-E232 PolarHBondContact NH1-OE1 3.44Å
229E94.5Very high95Very high113 Ų11351.3 Ų51.353%0.52825%0.248SC..THydrogen-bonded Turntrans55.542-176.1-59.2-171.216500112.7F199 P200 D225F199-E229 WeakPolarHBondContact CB-O 3.41Å; F199-E229 HydrophobicContact CD1-CB 4.11Å; F199-E229 HydrophobicContact CD2-CB 4.27Å; F199-E229 WeakPolarHBondContact CD2-O 3.48Å; F199-E229 HydrophobicContact CE1-CB 3.7Å; F199-E229 HydrophobicContact CE1-CG 4.06Å; F199-E229 VanDerWaalsContact CE2-CA 3.43Å; F199-E229 HydrophobicContact CE2-CB 3.89Å; F199-E229 HydrophobicContact CE2-CG 4.28Å; F199-E229 HydrophobicContact CG-CB 4.38Å; F199-E229 WeakPolarHBondContact CG-O 3.37Å; F199-E229 HydrophobicContact CZ-CB 3.56Å; F199-E229 HydrophobicContact CZ-CG 3.68Å; P200-E229 WeakPolarHBondContact CD-O 3.48Å; D225-E229 VanDerWaalsContact O-CA 3.26Å; D225-E229 WeakPolarHBondContact O-CA 3.35Å; D225-E229 PolarHBondContact O-N 3.3Å
230T95.7Very high94.8Very high12 Ų1255.6 Ų55.67%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-126.3156.3-179.371.20000112.4P200 Q202 D225 R228P200-T230 HydrophobicContact CG-CG2 4Å; Q202-T230 PolarHBondContact NE2-OG1 3.18Å; D225-T230 PolarHBondContact N-O 3.47Å; D225-T230 PolarHBondContact O-N 2.9Å; R228-T230 VanDerWaalsContact C-N 3.29Å; R228-T230 HydrophobicContact CB-CG2 4.26Å; R228-T230 VanDerWaalsContact O-CG2 3.3Å; R228-T230 WeakPolarHBondContact O-CG2 3.37Å; R228-T230 PolarHBondContact O-N 2.7Å
231I96.4Very high94.5Very high2 Ų256.6 Ų56.61%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-98118.7174.4-57.5174.7000108.6F199 P200 L201 Q202 L222 L224 L298F199-I231 HydrophobicContact CB-CD1 4.17Å; F199-I231 HydrophobicContact CB-CG1 3.8Å; P200-I231 PolarHBondContact O-N 3.37Å; L201-I231 HydrophobicContact CD1-CD1 4.39Å; L201-I231 HydrophobicContact CG-CB 4.3Å; Q202-I231 PolarHBondContact N-O 3.03Å; L222-I231 HydrophobicContact CB-CG2 4.02Å; L222-I231 HydrophobicContact CD1-CG2 3.98Å; L222-I231 HydrophobicContact CG-CG2 4.44Å; L224-I231 HydrophobicContact CD1-CG1 4.19Å; L224-I231 HydrophobicContact CG-CG1 4.31Å; I231-L298 HydrophobicContact CD1-CB 4.23Å; I231-L298 HydrophobicContact CD1-CD1 4.01Å; I231-L298 HydrophobicContact CD1-CD2 4.33Å; I231-L298 HydrophobicContact CD1-CG 4.42Å
232E96.6Very high94.1Very high25 Ų2562.5 Ų62.512%0.11730%0.301CS..EExtended strand (participates in β ladder)trans-111.9148.1-174.2-52.7-165.114500112Q202 L222 R223 D225 R228Q202-E232 HydrophobicContact CG-CG 3.96Å; L222-E232 WeakPolarHBondContact CA-O 3.4Å; R223-E232 HydrophobicContact CG-CB 4.1Å; R223-E232 IonicContact CZ-OE2 3.67Å; R223-E232 PolarHBondContact N-O 3.17Å; R223-E232 IonicContact NE-OE2 2.8Å; R223-E232 PolarHBondContact NE-OE2 3.1Å; R223-E232 VanDerWaalsContact NE-OE2 3.14Å; R223-E232 IonicContact NH2-OE2 3.86Å; R223-E232 PolarHBondContact NH2-OE2 3.02Å; R223-E232 PolarHBondContact O-N 3.45Å; D225-E232 HydrophobicContact CB-CG 4.25Å; R228-E232 IonicContact NH1-OE1 3.56Å; R228-E232 PolarHBondContact NH1-OE1 3.44Å
233L97.3Very high93.9Very high49 Ų4965.6 Ų65.626%0.25732%0.316SS..EExtended strand (participates in β ladder)trans-76.7129.2172-179.467.3000110D204 A205 A208 I220 L222 T236D204-L233 HydrophobicContact CB-CB 4.03Å; D204-L233 HydrophobicContact CB-CD2 4.08Å; A205-L233 HydrophobicContact CB-CB 4.23Å; A208-L233 HydrophobicContact CB-CD1 3.89Å; A208-L233 HydrophobicContact CB-CD2 4.05Å; I220-L233 HydrophobicContact CG2-CD1 3.67Å; L222-L233 HydrophobicContact CD2-CB 4.47Å; L222-L233 HydrophobicContact CD2-CD1 4.01Å; L233-T236 HydrophobicContact CD1-CG2 3.86Å; L233-T236 HydrophobicContact CD2-CG2 4.12Å
234V96.6Very high93.8Very high59 Ų5960.4 Ų60.436%0.35830%0.296SS..EExtended strand (participates in β ladder)trans-88.9-57.4170.3-173.70000109.9Q221 R223Q221-V234 HydrophobicContact CB-CB 4.23Å; Q221-V234 HydrophobicContact CG-CB 4.06Å; Q221-V234 HydrophobicContact CG-CG2 4.19Å; Q221-V234 PolarHBondContact O-N 2.54Å; R223-V234 HydrophobicContact CB-CG2 3.7Å; R223-V234 HydrophobicContact CG-CG2 3.68Å
235H94.9Very high93.7Very high38 Ų3861.4 Ų61.418%0.17630%0.303CS..EExtended strand (participates in β ladder)trans-165165.9175.569.978.2000113.2Y219 Q221 K237Y219-H235 AromaticContact CD1-CE1 3.93Å; Y219-H235 AromaticContact CE1-CE1 3.35Å; Y219-H235 WeakPolarHBondContact CE1-CE1 3.41Å; Y219-H235 AromaticContact CE1-ND1 3.83Å; Q221-H235 PolarHBondContact N-O 2.88Å; H235-K237 HydrophobicContact CB-CG 4.38Å; H235-K237 PolarHBondContact ND1-N 2.89Å
236T95.9Very high93.7Very high42 Ų4268 Ų6826%0.25833%0.331SS..  trans-125.224.4175.857.70000113.2A208 I217 Y219 I220 L233A208-T236 HydrophobicContact CB-CG2 3.72Å; I217-T236 HydrophobicContact CD1-CG2 3.77Å; Y219-T236 WeakPolarHBondContact O-CA 3.35Å; I220-T236 HydrophobicContact CG1-CG2 4.38Å; L233-T236 HydrophobicContact CD1-CG2 3.86Å; L233-T236 HydrophobicContact CD2-CG2 4.12Å
237K93.1Very high93.9Very high122 Ų12269.6 Ų69.653%0.5333%0.334SS..  trans-50.8129.9178.8-67.4180-179.61770110.7H235 T239H235-K237 HydrophobicContact CB-CG 4.38Å; H235-K237 PolarHBondContact ND1-N 2.89Å; K237-T239 PolarHBondContact O-N 3.13Å; K237-T239 PolarHBondContact O-OG1 3.19Å
238P93.5Very high94Very high101 Ų10161.7 Ų61.766%0.65630%0.297SS*.  trans-51.1131.6174.5-26.134.2000110.1N218 R247N218-P238 WeakPolarHBondContact OD1-CA 3.44Å; P238-R247 PolarHBondContact O-NH2 3.14Å
239T93.7Very high94.1Very high0 Ų055.9 Ų55.90%028%0.278CS..  trans-134.9125.6-176.5-59.30000108N218 Y219 K237 E243 L244 R247 F258N218-T239 PolarHBondContact ND2-O 3.26Å; N218-T239 PolarHBondContact OD1-N 3.46Å; N218-T239 VanDerWaalsContact OD1-N 3.11Å; Y219-T239 HydrophobicContact CD2-CG2 4.43Å; K237-T239 PolarHBondContact O-N 3.13Å; K237-T239 PolarHBondContact O-OG1 3.19Å; T239-E243 HydrophobicContact CG2-CB 3.93Å; T239-L244 HydrophobicContact CG2-CB 4.22Å; T239-L244 HydrophobicContact CG2-CD1 4.31Å; T239-R247 HydrophobicContact CG2-CG 3.65Å; T239-R247 PolarHBondContact OG1-NE 3.06Å; T239-F258 WeakPolarHBondContact O-CE2 3.36Å
240E92.8Very high93.9Very high90 Ų9055.8 Ų55.842%0.42129%0.286SS..  trans-93.4165.6170.7-65.2-58.8144.600110.2H242 E243 L244E240-H242 VanDerWaalsContact C-N 3.27Å; E240-H242 PolarHBondContact O-N 2.81Å; E240-H242 VanDerWaalsContact O-N 3.17Å; E240-E243 WeakPolarHBondContact O-CB 3.49Å; E240-E243 PolarHBondContact O-N 2.77Å; E240-L244 PolarHBondContact O-N 2.78Å
241T90.3Very high93.7Very high21 Ų2160.4 Ų60.413%0.12931%0.31CS..G310 helixtrans-53.3-41.4-174.9-50.60000113.2E243 L244 F260 E324 L327T241-E243 VanDerWaalsContact C-N 3.28Å; T241-E243 PolarHBondContact O-N 2.76Å; T241-L244 WeakPolarHBondContact O-CB 3.31Å; T241-L244 PolarHBondContact O-N 2.72Å; T241-F260 HydrophobicContact CG2-CD2 4.4Å; T241-F260 HydrophobicContact CG2-CE2 3.97Å; T241-E324 HydrophobicContact CG2-CB 3.89Å; T241-E324 HydrophobicContact CG2-CG 4.27Å; T241-L327 HydrophobicContact CG2-CD1 4.02Å
242H90.4Very high93.4Very high134 Ų13461.1 Ų61.162%0.6232%0.315SS*.G310 helixtrans-71.7-19.6178.767.8-85.7000113.9E240 F246E240-H242 VanDerWaalsContact C-N 3.27Å; E240-H242 PolarHBondContact O-N 2.81Å; E240-H242 VanDerWaalsContact O-N 3.17Å; H242-F246 WeakPolarHBondContact O-CE2 3.42Å
243E92.6Very high93.4Very high65 Ų6560 Ų6030%0.30431%0.31SS..G310 helixtrans-89.1-18.7178-60.4-169.615800112.6T239 E240 T241 F246 R247T239-E243 HydrophobicContact CG2-CB 3.93Å; E240-E243 WeakPolarHBondContact O-CB 3.49Å; E240-E243 PolarHBondContact O-N 2.77Å; T241-E243 VanDerWaalsContact C-N 3.28Å; T241-E243 PolarHBondContact O-N 2.76Å; E243-F246 WeakPolarHBondContact O-CB 3.36Å; E243-F246 PolarHBondContact O-N 2.85Å; E243-F246 VanDerWaalsContact O-N 3.1Å; E243-R247 PolarHBondContact O-N 2.91Å; E243-R247 IonicContact OE2-NH2 2.7Å; E243-R247 PolarHBondContact OE2-NH2 3.27Å; E243-R247 VanDerWaalsContact OE2-NH2 3.09Å
244L93.5Very high93.3Very high0 Ų059.5 Ų59.50%030%0.304CS..SBendtrans-57.9-43.2-173.4-176.466.7000113.9Y219 T239 E240 T241 F246 R247 F258 I275 L322 L327Y219-L244 HydrophobicContact CD2-CD1 4.06Å; Y219-L244 HydrophobicContact CE2-CD1 3.72Å; T239-L244 HydrophobicContact CG2-CB 4.22Å; T239-L244 HydrophobicContact CG2-CD1 4.31Å; E240-L244 PolarHBondContact O-N 2.78Å; T241-L244 WeakPolarHBondContact O-CB 3.31Å; T241-L244 PolarHBondContact O-N 2.72Å; L244-F246 PolarHBondContact O-N 2.85Å; L244-R247 WeakPolarHBondContact O-CB 3.33Å; L244-R247 PolarHBondContact O-N 2.67Å; L244-F258 HydrophobicContact CD1-CB 4.36Å; L244-F258 HydrophobicContact CD1-CD1 4.49Å; L244-F258 HydrophobicContact CD1-CD2 4.18Å; L244-F258 HydrophobicContact CD1-CG 4.09Å; L244-F258 HydrophobicContact CD2-CD1 3.67Å; L244-F258 HydrophobicContact CD2-CE1 3.81Å; L244-F258 HydrophobicContact CD2-CG 4.11Å; L244-F258 HydrophobicContact CD2-CZ 4.39Å; L244-I275 HydrophobicContact CD1-CD1 4.49Å; L244-I275 HydrophobicContact CD2-CD1 3.97Å; L244-L322 HydrophobicContact CD2-CB 4.49Å; L244-L322 HydrophobicContact CD2-CD1 3.68Å; L244-L322 HydrophobicContact CG-CD1 3.74Å; L244-L327 HydrophobicContact CD2-CD1 3.96Å
245P94.4Very high93.4Very high30 Ų3056.7 Ų56.720%0.19529%0.287CS..G310 helixtrans-52.2-41.8173.6-30.737.8000113.3R247 I248 G319 L322P245-R247 PolarHBondContact O-N 3.32Å; P245-I248 PolarHBondContact O-N 3.02Å; P245-G319 VanDerWaalsContact CB-O 3.28Å; P245-G319 WeakPolarHBondContact CB-O 3.35Å; P245-L322 HydrophobicContact CG-CB 4.18Å; P245-L322 WeakPolarHBondContact CG-O 3.3Å
246F92.8Very high93.5Very high171 Ų17154.9 Ų54.975%0.7528%0.279SS*.G310 helixtrans-75-8.3-177.9-52.6-76.7000113.6H242 E243 L244H242-F246 WeakPolarHBondContact O-CE2 3.42Å; E243-F246 WeakPolarHBondContact O-CB 3.36Å; E243-F246 PolarHBondContact O-N 2.85Å; E243-F246 VanDerWaalsContact O-N 3.1Å; L244-F246 PolarHBondContact O-N 2.85Å
247R92.8Very high93.5Very high60 Ų6052.9 Ų52.923%0.22627%0.267CS..G310 helixtrans-86.6-12.2174.2-60.2-57.6-171.9-137.8-10.1112.9Y219 Q221 P238 T239 E243 L244 P245 P249Y219-R247 HydrophobicContact CE1-CB 4.48Å; Y219-R247 HydrophobicContact CE1-CG 4.45Å; Y219-R247 HydrophobicContact CE2-CB 4.37Å; Y219-R247 WeakPolarHBondContact OH-CB 3.28Å; Q221-R247 PolarHBondContact NE2-O 2.87Å; P238-R247 PolarHBondContact O-NH2 3.14Å; T239-R247 HydrophobicContact CG2-CG 3.65Å; T239-R247 PolarHBondContact OG1-NE 3.06Å; E243-R247 PolarHBondContact O-N 2.91Å; E243-R247 IonicContact OE2-NH2 2.7Å; E243-R247 PolarHBondContact OE2-NH2 3.27Å; E243-R247 VanDerWaalsContact OE2-NH2 3.09Å; L244-R247 WeakPolarHBondContact O-CB 3.33Å; L244-R247 PolarHBondContact O-N 2.67Å; P245-R247 PolarHBondContact O-N 3.32Å; R247-P249 WeakPolarHBondContact O-CD 3.46Å
248I94.4Very high93.7Very high13 Ų1347.2 Ų47.27%0.06724%0.242CC..SBendtrans-90.4118.7-175.1-68.4160.4000110P245 I316 L322P245-I248 PolarHBondContact O-N 3.02Å; I248-I316 HydrophobicContact CD1-CD1 3.38Å; I248-I316 HydrophobicContact CG1-CD1 4.39Å; I248-L322 HydrophobicContact CD1-CD1 3.19Å; I248-L322 HydrophobicContact CD1-CG 4.02Å
249P93.1Very high93.7Very high26 Ų2643.4 Ų43.417%0.16922%0.217CC..  trans-69.4146.4175.7-16.532.1000111.6R247 D251 R254R247-P249 WeakPolarHBondContact O-CD 3.46Å; P249-D251 VanDerWaalsContact CB-OD1 3.32Å; P249-D251 WeakPolarHBondContact CB-OD1 3.34Å; P249-R254 HydrophobicContact CG-CG 3.7Å
250T91.3Very high93.8Very high111 Ų11143.4 Ų43.468%0.68122%0.217SC*.SBendtrans-96.7-8.9176.153.90000112.8P279T250-P279 WeakPolarHBondContact O-CB 3.35Å
251D90.9Very high93.8Very high110 Ų11043.5 Ų43.559%0.58822%0.216SC*.SBendtrans-104.4-24.4-174.866.6-19000113.2P249P249-D251 VanDerWaalsContact CB-OD1 3.32Å; P249-D251 WeakPolarHBondContact CB-OD1 3.34Å
252S91.5Very high93.8Very high16 Ų1642.7 Ų42.711%0.11221%0.211CC..SBendtrans-148.9146.7-168.358.10000112.4R254S252-R254 VanDerWaalsContact OG-CZ 3.23Å; S252-R254 PolarHBondContact OG-NH1 3.06Å; S252-R254 PolarHBondContact OG-NH2 2.97Å
253P95Very high93.8Very high1 Ų139.8 Ų39.81%0.00621%0.205CC..  trans-79.8148.9-175.129.3-24.5000110.9S277 M278 C283 Y291P253-S277 WeakPolarHBondContact CA-O 3.44Å; P253-S277 WeakPolarHBondContact CB-O 3.3Å; P253-M278 HydrophobicContact CB-CE 3.38Å; P253-M278 HydrophobicContact CB-SD 3.75Å; P253-M278 HydrophobicContact CG-CE 3.86Å; P253-M278 HydrophobicContact CG-SD 4.25Å; P253-C283 VanDerWaalsContact CD-SG 3.5Å; P253-Y291 HydrophobicContact CB-CD1 4.02Å; P253-Y291 HydrophobicContact CB-CD2 4.27Å; P253-Y291 HydrophobicContact CB-CE1 4.1Å; P253-Y291 HydrophobicContact CB-CE2 4.34Å; P253-Y291 HydrophobicContact CB-CG 4.1Å; P253-Y291 HydrophobicContact CG-CD1 4.26Å; P253-Y291 HydrophobicContact CG-CD2 3.68Å; P253-Y291 HydrophobicContact CG-CE1 4.16Å; P253-Y291 HydrophobicContact CG-CE2 3.55Å; P253-Y291 HydrophobicContact CG-CG 4.03Å; P253-Y291 VanDerWaalsContact O-CE1 3.26Å; P253-Y291 WeakPolarHBondContact O-CE1 3.42Å; P253-Y291 PolarHBondContact O-OH 3.46Å
254R96.3Very high93.6Very high39 Ų3938.2 Ų38.215%0.14720%0.198CC..EExtended strand (participates in β ladder)trans-143.9156.5-179.9-66.8-64.3-179.1-89.2-9.3111.4Q221 L222 P249 S252 H256 S277Q221-R254 HydrophobicContact CG-CB 4.17Å; Q221-R254 HydrophobicContact CG-CG 4.15Å; L222-R254 VanDerWaalsContact O-CD 3.3Å; L222-R254 WeakPolarHBondContact O-CD 3.25Å; P249-R254 HydrophobicContact CG-CG 3.7Å; S252-R254 VanDerWaalsContact OG-CZ 3.23Å; S252-R254 PolarHBondContact OG-NH1 3.06Å; S252-R254 PolarHBondContact OG-NH2 2.97Å; R254-H256 WeakPolarHBondContact CB-NE2 3.45Å; R254-S277 PolarHBondContact N-O 2.92Å; R254-S277 VanDerWaalsContact N-O 3.07Å; R254-S277 PolarHBondContact N-OG 2.96Å; R254-S277 PolarHBondContact O-N 2.92Å; R254-S277 PolarHBondContact O-OG 3.38Å
255Y97.6Very high93.2Very high0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-102.4144.3162.2-57.7-43000109.9Q221 L222 L224 F274 I275 Y276 Y291 K295 L298Q221-Y255 WeakPolarHBondContact CA-O 3.3Å; L222-Y255 PolarHBondContact N-O 3.21Å; L222-Y255 PolarHBondContact O-N 3.31Å; L222-Y255 VanDerWaalsContact O-N 3.07Å; L224-Y255 HydrophobicContact CD1-CD2 3.98Å; L224-Y255 HydrophobicContact CD1-CE2 3.42Å; L224-Y255 VanDerWaalsContact CD1-CE2 3.42Å; Y255-F274 HydrophobicContact CD1-CE2 4.14Å; Y255-F274 AromaticContact CD1-CZ 3.57Å; Y255-F274 HydrophobicContact CD1-CZ 3.57Å; Y255-F274 HydrophobicContact CE1-CZ 4.07Å; Y255-F274 HydrophobicContact CG-CE2 4.04Å; Y255-F274 AromaticContact CG-CZ 3.93Å; Y255-F274 HydrophobicContact CG-CZ 3.93Å; Y255-I275 CarbonylContact C-O 3.57Å; Y255-I275 WeakPolarHBondContact CA-O 3.3Å; Y255-Y276 AromaticContact CD1-CD2 3.87Å; Y255-Y276 HydrophobicContact CD1-CD2 3.87Å; Y255-Y276 HydrophobicContact CD1-CG 4.28Å; Y255-Y276 AromaticContact CE1-CD2 3.74Å; Y255-Y276 HydrophobicContact CE1-CD2 3.74Å; Y255-Y276 HydrophobicContact CE1-CE2 4.13Å; Y255-Y276 HydrophobicContact CE1-CG 4.12Å; Y255-Y291 HydrophobicContact CD1-CD1 4.26Å; Y255-Y291 AromaticContact CE1-CD1 3.85Å; Y255-Y291 HydrophobicContact CE1-CD1 3.85Å; Y255-Y291 HydrophobicContact CE2-CD1 4.37Å; Y255-Y291 AromaticContact CZ-CD1 3.92Å; Y255-Y291 WeakPolarHBondContact OH-CA 3.45Å; Y255-Y291 PolarHBondContact OH-O 2.79Å; Y255-K295 HydrophobicContact CE1-CB 4.37Å; Y255-K295 HydrophobicContact CE1-CG 4.47Å; Y255-K295 WeakPolarHBondContact OH-CA 3.4Å; Y255-K295 PolarHBondContact OH-N 3.25Å; Y255-K295 VanDerWaalsContact OH-N 3.15Å; Y255-L298 HydrophobicContact CD2-CD2 3.3Å; Y255-L298 HydrophobicContact CE2-CD2 3.51Å; Y255-L298 HydrophobicContact CG-CD2 4.11Å
256H97.1Very high92.7Very high0 Ų048.3 Ų48.30%026%0.262CS..EExtended strand (participates in β ladder)trans-133136179.7-42.3-105.4000109.6Y219 I220 Q221 R254 F274 I275 S277Y219-H256 HydrophobicContact CE2-CB 4.05Å; Y219-H256 AromaticContact CE2-ND1 3.98Å; Y219-H256 AromaticContact CZ-ND1 3.69Å; Y219-H256 PolarHBondContact OH-ND1 2.99Å; I220-H256 CarbonylContact O-C 3.47Å; I220-H256 VanDerWaalsContact O-CA 3.26Å; I220-H256 WeakPolarHBondContact O-CA 3.47Å; Q221-H256 PolarHBondContact NE2-CE1 3.24Å; Q221-H256 VanDerWaalsContact NE2-CE1 3.26Å; R254-H256 WeakPolarHBondContact CB-NE2 3.45Å; H256-F274 WeakPolarHBondContact O-CA 3.46Å; H256-I275 HydrophobicContact CB-CB 4.03Å; H256-I275 PolarHBondContact CD2-O 3.26Å; H256-I275 PolarHBondContact N-O 3.47Å; H256-I275 PolarHBondContact O-N 3.3Å; H256-S277 WeakPolarHBondContact NE2-CB 3.27Å; H256-S277 PolarHBondContact NE2-OG 2.87Å
257F96.9Very high92.6Very high0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-112.5121.1165.1-69.5-89.2000107.3L209 L212 Y219 I220 L222 L272 F274 L298 L299 V302 V310L209-F257 HydrophobicContact CD2-CD2 4.36Å; L209-F257 HydrophobicContact CD2-CE2 4.3Å; L212-F257 HydrophobicContact CD2-CB 3.86Å; L212-F257 HydrophobicContact CD2-CG 4.45Å; Y219-F257 CarbonylContact C-O 3.57Å; Y219-F257 VanDerWaalsContact CA-O 3.28Å; Y219-F257 WeakPolarHBondContact CA-O 3.39Å; I220-F257 HydrophobicContact CB-CB 4.22Å; I220-F257 PolarHBondContact N-O 2.81Å; I220-F257 PolarHBondContact O-N 3Å; L222-F257 HydrophobicContact CD1-CD2 4.36Å; L222-F257 HydrophobicContact CD1-CE2 3.91Å; F257-L272 HydrophobicContact CB-CD1 4.21Å; F257-L272 HydrophobicContact CD1-CD1 4.36Å; F257-L272 HydrophobicContact CD1-CD2 4.49Å; F257-F274 HydrophobicContact CD1-CD2 4.11Å; F257-F274 HydrophobicContact CD2-CD2 4.44Å; F257-F274 HydrophobicContact CE1-CB 4.38Å; F257-F274 AromaticContact CE1-CD2 3.63Å; F257-F274 HydrophobicContact CE1-CD2 3.63Å; F257-F274 HydrophobicContact CE1-CE2 4.42Å; F257-F274 HydrophobicContact CE1-CG 4.44Å; F257-F274 AromaticContact CE2-CD2 3.98Å; F257-F274 HydrophobicContact CE2-CD2 3.98Å; F257-F274 HydrophobicContact CE2-CE2 4.12Å; F257-F274 HydrophobicContact CG-CD2 4.5Å; F257-F274 AromaticContact CZ-CD2 3.55Å; F257-F274 HydrophobicContact CZ-CD2 3.55Å; F257-F274 AromaticContact CZ-CE2 3.9Å; F257-F274 HydrophobicContact CZ-CE2 3.9Å; F257-L298 HydrophobicContact CE2-CD2 4.5Å; F257-L299 HydrophobicContact CE1-CD2 4.32Å; F257-L299 HydrophobicContact CZ-CD2 4.4Å; F257-V302 HydrophobicContact CE1-CG1 3.95Å; F257-V302 HydrophobicContact CE1-CG2 4.48Å; F257-V302 HydrophobicContact CZ-CB 4.46Å; F257-V302 HydrophobicContact CZ-CG1 4.22Å; F257-V302 HydrophobicContact CZ-CG2 3.92Å; F257-V310 HydrophobicContact CE1-CG2 4.15Å
258F96.1Very high92.4Very high3 Ų350.5 Ų50.51%0.01328%0.28CS..EExtended strand (participates in β ladder)trans-129.5128.5-176.1175.9-116.8000110.3Y219 T239 L244 F260 V273 L327Y219-F258 HydrophobicContact CD2-CB 4.23Å; Y219-F258 HydrophobicContact CD2-CD2 4.08Å; T239-F258 WeakPolarHBondContact O-CE2 3.36Å; L244-F258 HydrophobicContact CD1-CB 4.36Å; L244-F258 HydrophobicContact CD1-CD1 4.49Å; L244-F258 HydrophobicContact CD1-CD2 4.18Å; L244-F258 HydrophobicContact CD1-CG 4.09Å; L244-F258 HydrophobicContact CD2-CD1 3.67Å; L244-F258 HydrophobicContact CD2-CE1 3.81Å; L244-F258 HydrophobicContact CD2-CG 4.11Å; L244-F258 HydrophobicContact CD2-CZ 4.39Å; F258-F260 HydrophobicContact CD1-CB 4.12Å; F258-F260 HydrophobicContact CE1-CB 3.91Å; F258-F260 AromaticContact CE1-CD2 3.94Å; F258-F260 HydrophobicContact CE1-CD2 3.94Å; F258-F260 HydrophobicContact CE1-CG 4.38Å; F258-F260 PolarHBondContact O-N 3.2Å; F258-V273 PolarHBondContact N-O 2.83Å; F258-V273 PolarHBondContact O-N 2.81Å; F258-L327 HydrophobicContact CD1-CD1 4.44Å; F258-L327 HydrophobicContact CE1-CD1 4.01Å
259V95.2Very high92.2Very high21 Ų2153.2 Ų53.213%0.12729%0.293CS..EExtended strand (participates in β ladder)trans-85.897.6173.5-177.20000107.9L212 N218 K261 E270 L272L212-V259 HydrophobicContact CD1-CG2 3.67Å; N218-V259 HydrophobicContact CB-CB 4.27Å; N218-V259 PolarHBondContact O-N 2.99Å; V259-K261 HydrophobicContact CG1-CG 4.43Å; V259-K261 PolarHBondContact O-N 3.32Å; V259-E270 HydrophobicContact CG1-CB 4.08Å; V259-L272 HydrophobicContact CG2-CD1 4.35Å
260F94.1Very high92.1Very high0 Ų055.9 Ų55.90%030%0.303CS..EExtended strand (participates in β ladder)trans-77115.3176.3-178.1-132.3000109.4T241 F258 H262 E270 A271 V273 E324 L327 V331T241-F260 HydrophobicContact CG2-CD2 4.4Å; T241-F260 HydrophobicContact CG2-CE2 3.97Å; F258-F260 HydrophobicContact CD1-CB 4.12Å; F258-F260 HydrophobicContact CE1-CB 3.91Å; F258-F260 AromaticContact CE1-CD2 3.94Å; F258-F260 HydrophobicContact CE1-CD2 3.94Å; F258-F260 HydrophobicContact CE1-CG 4.38Å; F258-F260 PolarHBondContact O-N 3.2Å; F260-H262 HydrophobicContact CD1-CB 4.05Å; F260-H262 AromaticContact CD1-CG 3.77Å; F260-H262 AromaticContact CD1-ND1 3.23Å; F260-H262 WeakPolarHBondContact CD1-ND1 3.34Å; F260-H262 HydrophobicContact CE1-CB 3.49Å; F260-H262 VanDerWaalsContact CE1-CB 3.49Å; F260-H262 AromaticContact CE1-CG 3.44Å; F260-H262 VanDerWaalsContact CE1-CG 3.44Å; F260-H262 AromaticContact CE1-ND1 3.43Å; F260-H262 WeakPolarHBondContact CE1-ND1 3.49Å; F260-H262 HydrophobicContact CE2-CB 4.12Å; F260-H262 HydrophobicContact CZ-CB 3.55Å; F260-E270 CarbonylContact O-C 3.59Å; F260-E270 WeakPolarHBondContact O-CA 3.44Å; F260-A271 PolarHBondContact N-O 2.8Å; F260-A271 PolarHBondContact O-N 3.4Å; F260-V273 HydrophobicContact CB-CG2 3.95Å; F260-E324 HydrophobicContact CE2-CG 4.14Å; F260-E324 HydrophobicContact CZ-CG 4.14Å; F260-L327 HydrophobicContact CD1-CB 4.16Å; F260-L327 HydrophobicContact CD2-CB 4.24Å; F260-L327 HydrophobicContact CD2-CD1 3.8Å; F260-L327 HydrophobicContact CE1-CB 3.81Å; F260-L327 HydrophobicContact CE2-CB 3.91Å; F260-L327 HydrophobicContact CE2-CD1 3.9Å; F260-L327 HydrophobicContact CG-CB 4.36Å; F260-L327 HydrophobicContact CG-CD1 4.34Å; F260-L327 HydrophobicContact CZ-CB 3.67Å; F260-V331 HydrophobicContact CD1-CG2 4.29Å
261K92.6Very high92.2Very high92 Ų9250.9 Ų50.940%0.427%0.273SS..EExtended strand (participates in β ladder)trans-100.3114.3175.8-57.5-175.9178.9175.20108V259 E270V259-K261 HydrophobicContact CG1-CG 4.43Å; V259-K261 PolarHBondContact O-N 3.32Å; K261-E270 VanDerWaalsContact CE-OE1 3.28Å; K261-E270 WeakPolarHBondContact CE-OE1 3.39Å; K261-E270 HydrophobicContact CG-CG 4.13Å
262H91.2Very high92.3Very high5 Ų546.5 Ų46.52%0.02325%0.25CC..EExtended strand (participates in β ladder)trans-142.2158.4-176.166.7-79.1000111.3F260 Q269 Y328 H332F260-H262 HydrophobicContact CD1-CB 4.05Å; F260-H262 AromaticContact CD1-CG 3.77Å; F260-H262 AromaticContact CD1-ND1 3.23Å; F260-H262 WeakPolarHBondContact CD1-ND1 3.34Å; F260-H262 HydrophobicContact CE1-CB 3.49Å; F260-H262 VanDerWaalsContact CE1-CB 3.49Å; F260-H262 AromaticContact CE1-CG 3.44Å; F260-H262 VanDerWaalsContact CE1-CG 3.44Å; F260-H262 AromaticContact CE1-ND1 3.43Å; F260-H262 WeakPolarHBondContact CE1-ND1 3.49Å; F260-H262 HydrophobicContact CE2-CB 4.12Å; F260-H262 HydrophobicContact CZ-CB 3.55Å; H262-Q269 PolarHBondContact N-O 3.2Å; H262-Q269 PolarHBondContact O-N 3.27Å; H262-Q269 VanDerWaalsContact O-O 3.13Å; H262-Y328 AromaticContact CD2-CD2 3.88Å; H262-Y328 AromaticContact CD2-CE2 3.98Å; H262-H332 AromaticContact CD2-NE2 3.71Å; H262-H332 AromaticContact CE1-NE2 3.74Å; H262-H332 AromaticContact NE2-CD2 3.84Å; H262-H332 AromaticContact NE2-CE1 3.95Å; H262-H332 AromaticContact NE2-NE2 2.96Å; H262-H332 PolarHBondContact NE2-NE2 3Å
263S90.4Very high92.5Very high72 Ų7245.8 Ų45.850%0.50324%0.244SC..EExtended strand (participates in β ladder)trans-94.4118.6173.9-174.30000109.4Q267S263-Q267 WeakPolarHBondContact CA-O 3.47Å
264H88.2Confident92.6Very high33 Ų3345.8 Ų45.815%0.15324%0.244CC..EExtended strand (participates in β ladder)trans-119.8122.1174.8178.1-101.9000108.9G266 Q267 Y328 H332H264-G266 PolarHBondContact O-N 3.1Å; H264-Q267 PolarHBondContact N-O 2.84Å; H264-Q267 PolarHBondContact O-N 3.06Å; H264-Q267 VanDerWaalsContact O-N 3.11Å; H264-Y328 HydrophobicContact CB-CE2 4.35Å; H264-Y328 AromaticContact CD2-CZ 3.86Å; H264-Y328 PolarHBondContact CD2-OH 3.14Å; H264-Y328 VanDerWaalsContact CD2-OH 3.24Å; H264-H332 AromaticContact CD2-CD2 3.71Å; H264-H332 AromaticContact CD2-CE1 3.63Å; H264-H332 AromaticContact CD2-CG 3.58Å; H264-H332 AromaticContact CD2-ND1 3.55Å; H264-H332 AromaticContact CD2-NE2 3.74Å; H264-H332 AromaticContact CE1-ND1 3.92Å; H264-H332 AromaticContact CG-CE1 3.71Å; H264-H332 AromaticContact CG-NE2 3.85Å; H264-H332 AromaticContact ND1-CE1 4Å; H264-H332 AromaticContact NE2-CE1 3.96Å; H264-H332 AromaticContact NE2-CG 3.84Å; H264-H332 AromaticContact NE2-ND1 3.53Å
265Q85.9Confident92.6Very high171 Ų17143.9 Ų43.980%0.79924%0.237SC*.THydrogen-bonded Turntrans54.134.4-177.5-57.5178.416.900114Q267Q265-Q267 VanDerWaalsContact C-N 3.3Å; Q265-Q267 PolarHBondContact O-N 3.21Å
266G83.9Confident92.6Very high71 Ų7144.1 Ų44.173%0.73224%0.238SC*.THydrogen-bonded Turntrans80.34.5178.500000115H264H264-G266 PolarHBondContact O-N 3.1Å
267Q90.1Very high92.5Very high135 Ų13544.1 Ų44.163%0.63124%0.238SC*.EExtended strand (participates in β ladder)trans-109.5136.6172.2-63.5-177.17.900110.4S263 H264 Q265 Q269S263-Q267 WeakPolarHBondContact CA-O 3.47Å; H264-Q267 PolarHBondContact N-O 2.84Å; H264-Q267 PolarHBondContact O-N 3.06Å; H264-Q267 VanDerWaalsContact O-N 3.11Å; Q265-Q267 VanDerWaalsContact C-N 3.3Å; Q265-Q267 PolarHBondContact O-N 3.21Å; Q267-Q269 PolarHBondContact O-N 2.82Å
268L89.1Confident92.3Very high141 Ų14145.5 Ų45.574%0.73825%0.245SC*.EExtended strand (participates in β ladder)trans-73.8121.1173.3-169.670.9000109.2
269Q90.3Very high92.1Very high71 Ų7146.5 Ų46.533%0.33225%0.251SS..EExtended strand (participates in β ladder)trans-121.8154.5179-65.3-173.7-7.500110.2H262 Q267H262-Q269 PolarHBondContact N-O 3.2Å; H262-Q269 PolarHBondContact O-N 3.27Å; H262-Q269 VanDerWaalsContact O-O 3.13Å; Q267-Q269 PolarHBondContact O-N 2.82Å
270E91.3Very high91.7Very high82 Ų8246.7 Ų46.738%0.38326%0.258SS..EExtended strand (participates in β ladder)trans-122.4124.3174.4-55.2-173.5141.900108.1K215 V259 F260 K261K215-E270 WeakPolarHBondContact CE-OE2 3.44Å; K215-E270 IonicContact NZ-OE2 3.54Å; K215-E270 PolarHBondContact NZ-OE2 3.37Å; V259-E270 HydrophobicContact CG1-CB 4.08Å; F260-E270 CarbonylContact O-C 3.59Å; F260-E270 WeakPolarHBondContact O-CA 3.44Å; K261-E270 VanDerWaalsContact CE-OE1 3.28Å; K261-E270 WeakPolarHBondContact CE-OE1 3.39Å; K261-E270 HydrophobicContact CG-CG 4.13Å
271A92.2Very high91.2Very high5 Ų557 Ų574%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-118.3134.2177.700000110F260 V273 T311 V331F260-A271 PolarHBondContact N-O 2.8Å; F260-A271 PolarHBondContact O-N 3.4Å; A271-V273 PolarHBondContact O-N 2.58Å; A271-T311 HydrophobicContact CB-CG2 4.08Å; A271-V331 HydrophobicContact CB-CG1 4.08Å; A271-V331 HydrophobicContact CB-CG2 4.47Å
272L94.3Very high91Very high19 Ų1957 Ų5710%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-86.4113.7174178.462.2000109.2L212 F257 V259 L308 V310 T311L212-L272 HydrophobicContact CD2-CD1 3.94Å; F257-L272 HydrophobicContact CB-CD1 4.21Å; F257-L272 HydrophobicContact CD1-CD1 4.36Å; F257-L272 HydrophobicContact CD1-CD2 4.49Å; V259-L272 HydrophobicContact CG2-CD1 4.35Å; L272-L308 HydrophobicContact CD2-CB 3.97Å; L272-L308 HydrophobicContact CD2-CD2 4.15Å; L272-V310 HydrophobicContact CD2-CG2 4.1Å; L272-T311 PolarHBondContact N-OG1 3.43Å; L272-T311 PolarHBondContact O-N 3.17Å
273V95.4Very high91Very high0 Ų057 Ų570%031%0.307CS..EExtended strand (participates in β ladder)trans-103.6126.2179-176.60000109.4F258 F260 A271 I275 M314 V331F258-V273 PolarHBondContact N-O 2.83Å; F258-V273 PolarHBondContact O-N 2.81Å; F260-V273 HydrophobicContact CB-CG2 3.95Å; A271-V273 PolarHBondContact O-N 2.58Å; V273-I275 HydrophobicContact CG1-CD1 4.42Å; V273-I275 HydrophobicContact CG1-CG1 3.9Å; V273-M314 HydrophobicContact CG1-CE 3.41Å; V273-M314 VanDerWaalsContact CG1-CE 3.41Å; V273-M314 HydrophobicContact CG1-CG 3.96Å; V273-M314 HydrophobicContact CG1-SD 3.62Å; V273-V331 HydrophobicContact CG2-CG2 4.09Å
274F97.1Very high91.1Very high1 Ų156.2 Ų56.20%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-95.1126.9167.9173.7-96.6000109.7Y255 H256 F257 K295 L298 L299 V310 K312 K313 M314Y255-F274 HydrophobicContact CD1-CE2 4.14Å; Y255-F274 AromaticContact CD1-CZ 3.57Å; Y255-F274 HydrophobicContact CD1-CZ 3.57Å; Y255-F274 HydrophobicContact CE1-CZ 4.07Å; Y255-F274 HydrophobicContact CG-CE2 4.04Å; Y255-F274 AromaticContact CG-CZ 3.93Å; Y255-F274 HydrophobicContact CG-CZ 3.93Å; H256-F274 WeakPolarHBondContact O-CA 3.46Å; F257-F274 HydrophobicContact CD1-CD2 4.11Å; F257-F274 HydrophobicContact CD2-CD2 4.44Å; F257-F274 HydrophobicContact CE1-CB 4.38Å; F257-F274 AromaticContact CE1-CD2 3.63Å; F257-F274 HydrophobicContact CE1-CD2 3.63Å; F257-F274 HydrophobicContact CE1-CE2 4.42Å; F257-F274 HydrophobicContact CE1-CG 4.44Å; F257-F274 AromaticContact CE2-CD2 3.98Å; F257-F274 HydrophobicContact CE2-CD2 3.98Å; F257-F274 HydrophobicContact CE2-CE2 4.12Å; F257-F274 HydrophobicContact CG-CD2 4.5Å; F257-F274 AromaticContact CZ-CD2 3.55Å; F257-F274 HydrophobicContact CZ-CD2 3.55Å; F257-F274 AromaticContact CZ-CE2 3.9Å; F257-F274 HydrophobicContact CZ-CE2 3.9Å; F274-K295 HydrophobicContact CE1-CD 3.95Å; F274-K295 HydrophobicContact CE1-CG 3.72Å; F274-K295 HydrophobicContact CZ-CG 3.89Å; F274-L298 HydrophobicContact CE2-CD2 4.39Å; F274-L299 HydrophobicContact CB-CD2 4.09Å; F274-L299 HydrophobicContact CD1-CD1 4.14Å; F274-L299 HydrophobicContact CD1-CD2 4.02Å; F274-L299 HydrophobicContact CD2-CD2 3.72Å; F274-L299 HydrophobicContact CE1-CD1 4.11Å; F274-L299 HydrophobicContact CE1-CD2 4.38Å; F274-L299 HydrophobicContact CE1-CG 4.5Å; F274-L299 HydrophobicContact CE2-CD2 4.06Å; F274-L299 HydrophobicContact CG-CD2 3.66Å; F274-L299 HydrophobicContact CZ-CD2 4.38Å; F274-L299 HydrophobicContact CZ-CG 4.49Å; F274-V310 HydrophobicContact CB-CG1 3.53Å; F274-K312 PolarHBondContact N-O 3.31Å; F274-K313 HydrophobicContact CB-CG 4.44Å; F274-K313 HydrophobicContact CD1-CB 4.45Å; F274-K313 HydrophobicContact CD1-CG 4.48Å; F274-M314 WeakPolarHBondContact O-CG 3.49Å; F274-M314 PolarHBondContact O-N 3.41Å
275I96.7Very high91.3Very high0 Ų060.6 Ų60.60%032%0.324CS..EExtended strand (participates in β ladder)trans-119.7126179.8-44.7-176.2000108.5L244 Y255 H256 V273 M314 I316 L322L244-I275 HydrophobicContact CD1-CD1 4.49Å; L244-I275 HydrophobicContact CD2-CD1 3.97Å; Y255-I275 CarbonylContact C-O 3.57Å; Y255-I275 WeakPolarHBondContact CA-O 3.3Å; H256-I275 HydrophobicContact CB-CB 4.03Å; H256-I275 PolarHBondContact CD2-O 3.26Å; H256-I275 PolarHBondContact N-O 3.47Å; H256-I275 PolarHBondContact O-N 3.3Å; V273-I275 HydrophobicContact CG1-CD1 4.42Å; V273-I275 HydrophobicContact CG1-CG1 3.9Å; I275-M314 WeakPolarHBondContact CA-O 3.22Å; I275-M314 HydrophobicContact CB-CG 4.11Å; I275-M314 HydrophobicContact CD1-SD 3.97Å; I275-M314 HydrophobicContact CG1-CG 3.76Å; I275-M314 HydrophobicContact CG1-SD 3.76Å; I275-M314 HydrophobicContact CG2-CG 4.11Å; I275-M314 HydrophobicContact CG2-SD 4.45Å; I275-I316 HydrophobicContact CG2-CD1 3.38Å; I275-I316 HydrophobicContact CG2-CG1 3.7Å; I275-L322 HydrophobicContact CD1-CD1 3.77Å
276Y96.5Very high91.6Very high5 Ų558.3 Ų58.32%0.0231%0.312CS..EExtended strand (participates in β ladder)trans-103.5108.1167.2171.3-152.5000108.4Y255 M278 Y291 S292 K295 M314 E315 I316Y255-Y276 AromaticContact CD1-CD2 3.87Å; Y255-Y276 HydrophobicContact CD1-CD2 3.87Å; Y255-Y276 HydrophobicContact CD1-CG 4.28Å; Y255-Y276 AromaticContact CE1-CD2 3.74Å; Y255-Y276 HydrophobicContact CE1-CD2 3.74Å; Y255-Y276 HydrophobicContact CE1-CE2 4.13Å; Y255-Y276 HydrophobicContact CE1-CG 4.12Å; Y276-M278 HydrophobicContact CE2-CB 4.13Å; Y276-M278 HydrophobicContact CE2-CE 3.65Å; Y276-M278 WeakPolarHBondContact OH-CE 3.4Å; Y276-Y291 HydrophobicContact CE2-CD1 4.1Å; Y276-Y291 HydrophobicContact CE2-CG 4.27Å; Y276-Y291 VanDerWaalsContact OH-CB 3.28Å; Y276-Y291 WeakPolarHBondContact OH-CB 3.47Å; Y276-S292 PolarHBondContact OH-N 3.1Å; Y276-S292 PolarHBondContact OH-OG 3.45Å; Y276-K295 HydrophobicContact CD1-CD 4.21Å; Y276-M314 PolarHBondContact N-O 3.37Å; Y276-E315 HydrophobicContact CD1-CB 4.45Å; Y276-E315 HydrophobicContact CD1-CG 3.94Å; Y276-E315 WeakPolarHBondContact O-CA 3.32Å; Y276-I316 PolarHBondContact O-N 3.13Å
277S95.3Very high92Very high0 Ų058 Ų580%029%0.291CS..EExtended strand (participates in β ladder)trans-93.6129176.264.10000110.6P253 R254 H256 I316P253-S277 WeakPolarHBondContact CA-O 3.44Å; P253-S277 WeakPolarHBondContact CB-O 3.3Å; R254-S277 PolarHBondContact N-O 2.92Å; R254-S277 VanDerWaalsContact N-O 3.07Å; R254-S277 PolarHBondContact N-OG 2.96Å; R254-S277 PolarHBondContact O-N 2.92Å; R254-S277 PolarHBondContact O-OG 3.38Å; H256-S277 WeakPolarHBondContact NE2-CB 3.27Å; H256-S277 PolarHBondContact NE2-OG 2.87Å; S277-I316 CarbonylContact C-O 3.51Å; S277-I316 WeakPolarHBondContact CA-O 3.5Å
278M93.4Very high92.1Very high28 Ų2854 Ų5414%0.13827%0.27CS..  trans-139.595.9-177.818053.973.100110.5P253 Y276 G280 C283 R288 I316 D317P253-M278 HydrophobicContact CB-CE 3.38Å; P253-M278 HydrophobicContact CB-SD 3.75Å; P253-M278 HydrophobicContact CG-CE 3.86Å; P253-M278 HydrophobicContact CG-SD 4.25Å; Y276-M278 HydrophobicContact CE2-CB 4.13Å; Y276-M278 HydrophobicContact CE2-CE 3.65Å; Y276-M278 WeakPolarHBondContact OH-CE 3.4Å; M278-G280 PolarHBondContact O-N 2.85Å; M278-C283 HydrophobicContact SD-CB 4.23Å; M278-R288 HydrophobicContact CE-CB 4.09Å; M278-R288 HydrophobicContact CE-CG 3.88Å; M278-R288 HydrophobicContact SD-CB 4.37Å; M278-R288 HydrophobicContact SD-CG 3.55Å; M278-R288 VanDerWaalsContact SD-CG 3.55Å; M278-I316 PolarHBondContact N-O 3.01Å; M278-D317 WeakPolarHBondContact O-CA 3.25Å
279P90.9Very high92.2Very high24 Ų2452.4 Ų52.416%0.15626%0.26CS..  trans-71.122-176.226.9-31.1000115.2T250 T282 D317T250-P279 WeakPolarHBondContact O-CB 3.35Å; P279-T282 PolarHBondContact O-OG1 3.33Å; P279-D317 WeakPolarHBondContact CA-O 3.42Å
280G86.9Confident92.3Very high26 Ų2650 Ų5027%0.26825%0.25SC..G310 helixtrans77.7-125.2170.100000113.9M278 T282 C283 R288M278-G280 PolarHBondContact O-N 2.85Å; G280-T282 VanDerWaalsContact C-N 3.28Å; G280-T282 PolarHBondContact O-N 3.38Å; G280-C283 PolarHBondContact O-N 3.39Å; G280-R288 WeakPolarHBondContact O-CD 3.21Å; G280-R288 PolarHBondContact O-NH1 2.94Å; G280-R288 VanDerWaalsContact O-NH1 3.16Å
281Y84.4Confident92.5Very high217 Ų21746.2 Ų46.285%0.85123%0.232SC*.G310 helixtrans-79.8-3.7-171.3-67.4-77000114.4C283Y281-C283 PolarHBondContact O-N 2.95Å
282T88Confident92.5Very high92 Ų9248.4 Ų48.456%0.56425%0.247SC*.G310 helixtrans-66.1-27.8169.451.50000111.7P279 G280P279-T282 PolarHBondContact O-OG1 3.33Å; G280-T282 VanDerWaalsContact C-N 3.28Å; G280-T282 PolarHBondContact O-N 3.38Å
283C90.1Very high92.4Very high5 Ų549.6 Ų49.63%0.03426%0.257CS..SBendtrans-89.5151.8177-44.70000111.8P253 M278 G280 Y281 E287 R288P253-C283 VanDerWaalsContact CD-SG 3.5Å; M278-C283 HydrophobicContact SD-CB 4.23Å; G280-C283 PolarHBondContact O-N 3.39Å; Y281-C283 PolarHBondContact O-N 2.95Å; C283-E287 HydrophobicContact CB-CB 4.45Å; C283-R288 HydrophobicContact CB-CG 3.99Å; C283-R288 PolarHBondContact O-NH1 3.06Å
284S92.6Very high92.3Very high55 Ų5549.6 Ų49.639%0.38526%0.257SS..  trans-70.1156174.267.40000112K286 E287 R288S284-K286 PolarHBondContact O-N 2.83Å; S284-E287 WeakPolarHBondContact CB-OE2 3.36Å; S284-E287 PolarHBondContact N-OE2 3.09Å; S284-E287 PolarHBondContact O-N 2.85Å; S284-E287 WeakPolarHBondContact OG-CB 3.39Å; S284-E287 VanDerWaalsContact OG-CG 3.3Å; S284-E287 WeakPolarHBondContact OG-CG 3.47Å; S284-E287 PolarHBondContact OG-N 3.04Å; S284-E287 PolarHBondContact OG-OE2 3.27Å; S284-R288 WeakPolarHBondContact O-CG 3.42Å; S284-R288 PolarHBondContact O-N 3.12Å
285I92.8Very high92.1Very high124 Ų12451.3 Ų51.364%0.63626%0.264SS*.Hα-helixtrans-56.2-39.1174.5-63.4167.7000110.6R288 M289I285-R288 PolarHBondContact O-N 3.28Å; I285-M289 HydrophobicContact CG2-CG 4.16Å; I285-M289 WeakPolarHBondContact O-CB 3.45Å; I285-M289 VanDerWaalsContact O-CG 3.28Å; I285-M289 WeakPolarHBondContact O-CG 3.24Å; I285-M289 PolarHBondContact O-N 3.42Å
286K92Very high91.8Very high124 Ų12454.8 Ų54.854%0.53928%0.283SS..Hα-helixtrans-59.3-50.4178.1-172.6-178.3-179.7-168.20110.9V226 S284 M289 L290V226-K286 HydrophobicContact CG1-CD 3.74Å; V226-K286 VanDerWaalsContact CG1-CE 3.42Å; V226-K286 HydrophobicContact CG1-CG 4.22Å; S284-K286 PolarHBondContact O-N 2.83Å; K286-M289 PolarHBondContact O-N 2.93Å; K286-L290 HydrophobicContact CG-CD1 4.04Å; K286-L290 WeakPolarHBondContact O-CB 3.49Å; K286-L290 VanDerWaalsContact O-CG 3.3Å; K286-L290 WeakPolarHBondContact O-CG 3.48Å; K286-L290 PolarHBondContact O-N 3.07Å
287E91.9Very high91.5Very high63 Ų6358.9 Ų58.929%0.29430%0.298SS..Hα-helixtrans-60.8-48.2177.4-75.1163.413900111.6V226 C283 S284 M289 L290 Y291V226-E287 HydrophobicContact CG2-CG 3.88Å; C283-E287 HydrophobicContact CB-CB 4.45Å; S284-E287 WeakPolarHBondContact CB-OE2 3.36Å; S284-E287 PolarHBondContact N-OE2 3.09Å; S284-E287 PolarHBondContact O-N 2.85Å; S284-E287 WeakPolarHBondContact OG-CB 3.39Å; S284-E287 VanDerWaalsContact OG-CG 3.3Å; S284-E287 WeakPolarHBondContact OG-CG 3.47Å; S284-E287 PolarHBondContact OG-N 3.04Å; S284-E287 PolarHBondContact OG-OE2 3.27Å; E287-M289 VanDerWaalsContact C-N 3.31Å; E287-M289 PolarHBondContact O-N 2.75Å; E287-L290 PolarHBondContact O-N 2.84Å; E287-Y291 VanDerWaalsContact O-CD2 3.3Å; E287-Y291 WeakPolarHBondContact O-CD2 3.3Å; E287-Y291 PolarHBondContact O-N 2.95Å
288R92.6Very high91.4Very high52 Ų5259 Ų5920%0.19630%0.299CS..Hα-helixtrans-58.1-44.1179.6-63.1-154-67.5-80.3-8.3112.6M278 G280 C283 S284 I285 S292M278-R288 HydrophobicContact CE-CB 4.09Å; M278-R288 HydrophobicContact CE-CG 3.88Å; M278-R288 HydrophobicContact SD-CB 4.37Å; M278-R288 HydrophobicContact SD-CG 3.55Å; M278-R288 VanDerWaalsContact SD-CG 3.55Å; G280-R288 WeakPolarHBondContact O-CD 3.21Å; G280-R288 PolarHBondContact O-NH1 2.94Å; G280-R288 VanDerWaalsContact O-NH1 3.16Å; C283-R288 HydrophobicContact CB-CG 3.99Å; C283-R288 PolarHBondContact O-NH1 3.06Å; S284-R288 WeakPolarHBondContact O-CG 3.42Å; S284-R288 PolarHBondContact O-N 3.12Å; I285-R288 PolarHBondContact O-N 3.28Å; R288-S292 WeakPolarHBondContact O-CB 3.45Å; R288-S292 PolarHBondContact O-N 3.22Å; R288-S292 PolarHBondContact O-OG 2.95Å
289M91.7Very high91.4Very high107 Ų10757.8 Ų57.853%0.52729%0.293SS..Hα-helixtrans-66.1-41.9178.4-70.5-68.788.700112.3I285 K286 E287 S292 S293I285-M289 HydrophobicContact CG2-CG 4.16Å; I285-M289 WeakPolarHBondContact O-CB 3.45Å; I285-M289 VanDerWaalsContact O-CG 3.28Å; I285-M289 WeakPolarHBondContact O-CG 3.24Å; I285-M289 PolarHBondContact O-N 3.42Å; K286-M289 PolarHBondContact O-N 2.93Å; E287-M289 VanDerWaalsContact C-N 3.31Å; E287-M289 PolarHBondContact O-N 2.75Å; M289-S292 PolarHBondContact O-N 3.45Å; M289-S293 WeakPolarHBondContact O-CB 3.28Å; M289-S293 PolarHBondContact O-N 2.87Å; M289-S293 PolarHBondContact O-OG 2.91Å
290L93.2Very high91.4Very high20 Ų2059.6 Ų59.611%0.10530%0.301CS..Hα-helixtrans-65.3-46.2178.6-72.3174.6000111.9L197 F199 L224 V226 K286 E287 S292 S293 C294L197-L290 HydrophobicContact CD1-CD2 3.86Å; F199-L290 HydrophobicContact CE1-CD2 4.35Å; F199-L290 HydrophobicContact CE2-CD2 4.44Å; F199-L290 HydrophobicContact CZ-CD1 4.34Å; F199-L290 HydrophobicContact CZ-CD2 3.72Å; L224-L290 HydrophobicContact CD2-CB 4.07Å; V226-L290 HydrophobicContact CB-CD1 4.29Å; V226-L290 HydrophobicContact CG1-CD1 3.7Å; V226-L290 HydrophobicContact CG2-CD1 4.04Å; K286-L290 HydrophobicContact CG-CD1 4.04Å; K286-L290 WeakPolarHBondContact O-CB 3.49Å; K286-L290 VanDerWaalsContact O-CG 3.3Å; K286-L290 WeakPolarHBondContact O-CG 3.48Å; K286-L290 PolarHBondContact O-N 3.07Å; E287-L290 PolarHBondContact O-N 2.84Å; L290-S292 PolarHBondContact O-N 2.8Å; L290-S293 PolarHBondContact O-N 3.22Å; L290-C294 WeakPolarHBondContact O-CB 3.18Å; L290-C294 PolarHBondContact O-N 3.33Å; L290-C294 PolarHBondContact O-SG 3.37Å
291Y94.2Very high91.6Very high4 Ų460.7 Ų60.72%0.01630%0.299CS..Hα-helixtrans-65.2-37.6176.5-83.4-103.3000112.2R223 L224 P253 Y255 Y276 E287 K295R223-Y291 WeakPolarHBondContact CA-OH 3.33Å; L224-Y291 HydrophobicContact CB-CD2 4.2Å; L224-Y291 HydrophobicContact CB-CE1 4.42Å; L224-Y291 HydrophobicContact CB-CE2 3.61Å; L224-Y291 HydrophobicContact CD1-CD1 3.87Å; L224-Y291 HydrophobicContact CD1-CD2 4.43Å; L224-Y291 HydrophobicContact CD1-CE1 3.69Å; L224-Y291 HydrophobicContact CD1-CE2 4.28Å; L224-Y291 HydrophobicContact CD1-CG 4.26Å; L224-Y291 HydrophobicContact CD2-CD2 3.88Å; L224-Y291 HydrophobicContact CD2-CE2 4.17Å; L224-Y291 HydrophobicContact CD2-CG 4.1Å; L224-Y291 HydrophobicContact CG-CD2 4.39Å; L224-Y291 HydrophobicContact CG-CE1 4.49Å; L224-Y291 HydrophobicContact CG-CE2 4.22Å; L224-Y291 PolarHBondContact N-OH 3.16Å; P253-Y291 HydrophobicContact CB-CD1 4.02Å; P253-Y291 HydrophobicContact CB-CD2 4.27Å; P253-Y291 HydrophobicContact CB-CE1 4.1Å; P253-Y291 HydrophobicContact CB-CE2 4.34Å; P253-Y291 HydrophobicContact CB-CG 4.1Å; P253-Y291 HydrophobicContact CG-CD1 4.26Å; P253-Y291 HydrophobicContact CG-CD2 3.68Å; P253-Y291 HydrophobicContact CG-CE1 4.16Å; P253-Y291 HydrophobicContact CG-CE2 3.55Å; P253-Y291 HydrophobicContact CG-CG 4.03Å; P253-Y291 VanDerWaalsContact O-CE1 3.26Å; P253-Y291 WeakPolarHBondContact O-CE1 3.42Å; P253-Y291 PolarHBondContact O-OH 3.46Å; Y255-Y291 HydrophobicContact CD1-CD1 4.26Å; Y255-Y291 AromaticContact CE1-CD1 3.85Å; Y255-Y291 HydrophobicContact CE1-CD1 3.85Å; Y255-Y291 HydrophobicContact CE2-CD1 4.37Å; Y255-Y291 AromaticContact CZ-CD1 3.92Å; Y255-Y291 WeakPolarHBondContact OH-CA 3.45Å; Y255-Y291 PolarHBondContact OH-O 2.79Å; Y276-Y291 HydrophobicContact CE2-CD1 4.1Å; Y276-Y291 HydrophobicContact CE2-CG 4.27Å; Y276-Y291 VanDerWaalsContact OH-CB 3.28Å; Y276-Y291 WeakPolarHBondContact OH-CB 3.47Å; E287-Y291 VanDerWaalsContact O-CD2 3.3Å; E287-Y291 WeakPolarHBondContact O-CD2 3.3Å; E287-Y291 PolarHBondContact O-N 2.95Å; Y291-K295 PolarHBondContact O-N 3.13Å
292S92.4Very high91.9Very high51 Ų5150.3 Ų50.336%0.35726%0.259SS..Hα-helixtrans-70.3-34.8175.4-65.80000112.5Y276 R288 M289 L290Y276-S292 PolarHBondContact OH-N 3.1Å; Y276-S292 PolarHBondContact OH-OG 3.45Å; R288-S292 WeakPolarHBondContact O-CB 3.45Å; R288-S292 PolarHBondContact O-N 3.22Å; R288-S292 PolarHBondContact O-OG 2.95Å; M289-S292 PolarHBondContact O-N 3.45Å; L290-S292 PolarHBondContact O-N 2.8Å
293S91.6Very high92Very high43 Ų4349.3 Ų49.330%0.30125%0.248SC..Hα-helixtrans-77.9-33.1-177-57.70000113.7L197 M289 L290L197-S293 PolarHBondContact N-O 3.44Å; M289-S293 WeakPolarHBondContact O-CB 3.28Å; M289-S293 PolarHBondContact O-N 2.87Å; M289-S293 PolarHBondContact O-OG 2.91Å; L290-S293 PolarHBondContact O-N 3.22Å
294C93.6Very high92Very high1 Ų156 Ų561%0.00728%0.278CS..Hα-helixtrans-81.7-20.1-179.1-62.60000113.3L197 L224 L290 N296 R297 L298L197-C294 WeakPolarHBondContact O-CA 3.05Å; L224-C294 HydrophobicContact CD2-CB 4.09Å; L290-C294 WeakPolarHBondContact O-CB 3.18Å; L290-C294 PolarHBondContact O-N 3.33Å; L290-C294 PolarHBondContact O-SG 3.37Å; C294-N296 PolarHBondContact O-N 3.18Å; C294-R297 PolarHBondContact O-N 3.13Å; C294-L298 WeakPolarHBondContact O-CB 3.29Å; C294-L298 PolarHBondContact O-N 2.64Å
295K92.8Very high91.9Very high36 Ų3658.6 Ų58.616%0.15729%0.288CS..Hα-helixtrans-52.9-52.8-173.6-173.5-167.668.7162.40112.6Y255 F274 Y276 Y291 R297 L298 L299 E315Y255-K295 HydrophobicContact CE1-CB 4.37Å; Y255-K295 HydrophobicContact CE1-CG 4.47Å; Y255-K295 WeakPolarHBondContact OH-CA 3.4Å; Y255-K295 PolarHBondContact OH-N 3.25Å; Y255-K295 VanDerWaalsContact OH-N 3.15Å; F274-K295 HydrophobicContact CE1-CD 3.95Å; F274-K295 HydrophobicContact CE1-CG 3.72Å; F274-K295 HydrophobicContact CZ-CG 3.89Å; Y276-K295 HydrophobicContact CD1-CD 4.21Å; Y291-K295 PolarHBondContact O-N 3.13Å; K295-R297 PolarHBondContact O-N 3.19Å; K295-L298 PolarHBondContact O-N 3.04Å; K295-L299 HydrophobicContact CD-CD1 4.48Å; K295-L299 HydrophobicContact CG-CD1 3.94Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.46Å; K295-L299 PolarHBondContact O-N 2.8Å; K295-E315 IonicContact NZ-OE1 3.69Å; K295-E315 PolarHBondContact NZ-OE1 2.82Å
296N90.8Very high91.7Very high73 Ų7353.8 Ų53.839%0.3926%0.262SS..Hα-helixtrans-65.6-40.9-175.2-68.1-13.6000111.4C294 L299 D300C294-N296 PolarHBondContact O-N 3.18Å; N296-L299 PolarHBondContact O-N 3.48Å; N296-D300 WeakPolarHBondContact O-CB 3.49Å; N296-D300 PolarHBondContact O-N 3.44Å
297R90.9Very high91.5Very high92 Ų9254.7 Ų54.735%0.34727%0.268SS..Hα-helixtrans-66-42.3178.2-68.1-56.5-169.5-178.51112.6G196 L197 A198 C294 K295 L299 D300 E301G196-R297 WeakPolarHBondContact O-CG 3.43Å; G196-R297 PolarHBondContact O-NE 3.28Å; G196-R297 VanDerWaalsContact O-NE 3.09Å; L197-R297 WeakPolarHBondContact O-CB 3.31Å; L197-R297 VanDerWaalsContact O-CG 3.31Å; L197-R297 WeakPolarHBondContact O-CG 3.47Å; A198-R297 HydrophobicContact CB-CB 4.39Å; A198-R297 HydrophobicContact CB-CG 4.28Å; C294-R297 PolarHBondContact O-N 3.13Å; K295-R297 PolarHBondContact O-N 3.19Å; R297-L299 VanDerWaalsContact C-N 3.33Å; R297-L299 PolarHBondContact O-N 2.96Å; R297-D300 PolarHBondContact O-N 2.97Å; R297-E301 WeakPolarHBondContact O-CB 3.39Å; R297-E301 PolarHBondContact O-N 2.99Å
298L92.9Very high91.4Very high3 Ų352.4 Ų52.42%0.01626%0.258CS..Hα-helixtrans-59.5-45.5174172.764.7000111.1L201 L222 I231 Y255 F257 F274 C294 K295 E301 V302L201-L298 HydrophobicContact CD1-CD1 3.79Å; L201-L298 HydrophobicContact CD2-CD1 4.03Å; L201-L298 HydrophobicContact CG-CD1 4.21Å; L222-L298 HydrophobicContact CD1-CD1 4.46Å; L222-L298 HydrophobicContact CD1-CD2 4.21Å; I231-L298 HydrophobicContact CD1-CB 4.23Å; I231-L298 HydrophobicContact CD1-CD1 4.01Å; I231-L298 HydrophobicContact CD1-CD2 4.33Å; I231-L298 HydrophobicContact CD1-CG 4.42Å; Y255-L298 HydrophobicContact CD2-CD2 3.3Å; Y255-L298 HydrophobicContact CE2-CD2 3.51Å; Y255-L298 HydrophobicContact CG-CD2 4.11Å; F257-L298 HydrophobicContact CE2-CD2 4.5Å; F274-L298 HydrophobicContact CE2-CD2 4.39Å; C294-L298 WeakPolarHBondContact O-CB 3.29Å; C294-L298 PolarHBondContact O-N 2.64Å; K295-L298 PolarHBondContact O-N 3.04Å; L298-E301 PolarHBondContact O-N 3.39Å; L298-V302 HydrophobicContact CD1-CG2 4.08Å; L298-V302 HydrophobicContact CG-CG2 4.49Å; L298-V302 WeakPolarHBondContact O-CB 3.18Å; L298-V302 WeakPolarHBondContact O-CG2 3.18Å; L298-V302 PolarHBondContact O-N 2.87Å
299L93.1Very high91.2Very high2 Ų258.1 Ų58.11%0.0129%0.287CS..Hα-helixtrans-66.2-41.3179.5-70.8169.4000112.1F257 F274 K295 N296 R297 V302 E303 V310 K313F257-L299 HydrophobicContact CE1-CD2 4.32Å; F257-L299 HydrophobicContact CZ-CD2 4.4Å; F274-L299 HydrophobicContact CB-CD2 4.09Å; F274-L299 HydrophobicContact CD1-CD1 4.14Å; F274-L299 HydrophobicContact CD1-CD2 4.02Å; F274-L299 HydrophobicContact CD2-CD2 3.72Å; F274-L299 HydrophobicContact CE1-CD1 4.11Å; F274-L299 HydrophobicContact CE1-CD2 4.38Å; F274-L299 HydrophobicContact CE1-CG 4.5Å; F274-L299 HydrophobicContact CE2-CD2 4.06Å; F274-L299 HydrophobicContact CG-CD2 3.66Å; F274-L299 HydrophobicContact CZ-CD2 4.38Å; F274-L299 HydrophobicContact CZ-CG 4.49Å; K295-L299 HydrophobicContact CD-CD1 4.48Å; K295-L299 HydrophobicContact CG-CD1 3.94Å; K295-L299 VanDerWaalsContact O-CG 3.29Å; K295-L299 WeakPolarHBondContact O-CG 3.46Å; K295-L299 PolarHBondContact O-N 2.8Å; N296-L299 PolarHBondContact O-N 3.48Å; R297-L299 VanDerWaalsContact C-N 3.33Å; R297-L299 PolarHBondContact O-N 2.96Å; L299-V302 PolarHBondContact O-N 3.44Å; L299-E303 WeakPolarHBondContact O-CB 3.5Å; L299-E303 WeakPolarHBondContact O-CG 3.28Å; L299-E303 PolarHBondContact O-N 3.27Å; L299-V310 HydrophobicContact CD2-CG2 4.2Å; L299-K313 HydrophobicContact CD1-CD 3.75Å; L299-K313 HydrophobicContact CD1-CG 4.11Å
300D90.2Very high91.2Very high62 Ų6253.7 Ų53.733%0.33227%0.266SS..Hα-helixtrans-59.5-46.4174.3-66.6-19.5000110.7N296 R297 E303 Q304N296-D300 WeakPolarHBondContact O-CB 3.49Å; N296-D300 PolarHBondContact O-N 3.44Å; R297-D300 PolarHBondContact O-N 2.97Å; D300-E303 PolarHBondContact O-N 3.01Å; D300-Q304 VanDerWaalsContact O-CB 3.23Å; D300-Q304 WeakPolarHBondContact O-CB 3.27Å; D300-Q304 VanDerWaalsContact O-CG 3.24Å; D300-Q304 WeakPolarHBondContact O-CG 3.47Å; D300-Q304 PolarHBondContact O-N 2.92Å
301E91Very high91.2Very high48 Ų4856.3 Ų56.322%0.22428%0.283CS..Hα-helixtrans-62.8-42.5177.4-168.3179.615600111.4L201 R297 L298 D305 Y306L201-E301 WeakPolarHBondContact CD1-OE1 3.42Å; L201-E301 VanDerWaalsContact CD1-OE2 3.26Å; L201-E301 WeakPolarHBondContact CD1-OE2 3.32Å; R297-E301 WeakPolarHBondContact O-CB 3.39Å; R297-E301 PolarHBondContact O-N 2.99Å; L298-E301 PolarHBondContact O-N 3.39Å; E301-D305 HydrophobicContact CG-CB 4.49Å; E301-D305 WeakPolarHBondContact CG-OD2 3.14Å; E301-D305 VanDerWaalsContact O-CB 3.3Å; E301-D305 WeakPolarHBondContact O-CB 3.15Å; E301-D305 PolarHBondContact O-N 3.03Å; E301-Y306 HydrophobicContact CG-CE2 4.44Å
302V91.8Very high91.1Very high0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-65.8-42.9178.6169.80000112.3L209 F257 L298 L299 Y306 Q307 L308L209-V302 HydrophobicContact CD1-CG2 3.89Å; L209-V302 HydrophobicContact CD2-CG1 4.38Å; L209-V302 HydrophobicContact CD2-CG2 4.02Å; F257-V302 HydrophobicContact CE1-CG1 3.95Å; F257-V302 HydrophobicContact CE1-CG2 4.48Å; F257-V302 HydrophobicContact CZ-CB 4.46Å; F257-V302 HydrophobicContact CZ-CG1 4.22Å; F257-V302 HydrophobicContact CZ-CG2 3.92Å; L298-V302 HydrophobicContact CD1-CG2 4.08Å; L298-V302 HydrophobicContact CG-CG2 4.49Å; L298-V302 WeakPolarHBondContact O-CB 3.18Å; L298-V302 WeakPolarHBondContact O-CG2 3.18Å; L298-V302 PolarHBondContact O-N 2.87Å; L299-V302 PolarHBondContact O-N 3.44Å; V302-Y306 WeakPolarHBondContact O-CB 3.38Å; V302-Y306 PolarHBondContact O-N 2.5Å; V302-Q307 PolarHBondContact O-N 3.43Å; V302-L308 HydrophobicContact CG1-CB 3.71Å; V302-L308 HydrophobicContact CG1-CD1 3.95Å; V302-L308 HydrophobicContact CG1-CG 4.47Å; V302-L308 PolarHBondContact O-N 3.23Å
303E90.7Very high91.2Very high71 Ų7160.5 Ų60.533%0.33230%0.295SS..Hα-helixtrans-72.2-40.1178.9-73.4173-162.400111.7L299 D300 Q307 L308 V310 K313L299-E303 WeakPolarHBondContact O-CB 3.5Å; L299-E303 WeakPolarHBondContact O-CG 3.28Å; L299-E303 PolarHBondContact O-N 3.27Å; D300-E303 PolarHBondContact O-N 3.01Å; E303-Q307 VanDerWaalsContact O-CA 3.29Å; E303-Q307 WeakPolarHBondContact O-CA 3.4Å; E303-Q307 PolarHBondContact O-N 2.93Å; E303-L308 WeakPolarHBondContact CG-O 3.3Å; E303-V310 HydrophobicContact CG-CG2 4.49Å; E303-K313 WeakPolarHBondContact OE1-CE 3.44Å; E303-K313 IonicContact OE1-NZ 2.69Å; E303-K313 PolarHBondContact OE1-NZ 2.8Å; E303-K313 IonicContact OE2-NZ 3.09Å
304Q89.9Confident91.3Very high144 Ų14459 Ų5967%0.67328%0.283SS*.Hα-helixtrans-81.4-53.4-176.8-67.7-179.8-3.100113.3D300D300-Q304 VanDerWaalsContact O-CB 3.23Å; D300-Q304 WeakPolarHBondContact O-CB 3.27Å; D300-Q304 VanDerWaalsContact O-CG 3.24Å; D300-Q304 WeakPolarHBondContact O-CG 3.47Å; D300-Q304 PolarHBondContact O-N 2.92Å
305D89.2Confident91.4Very high110 Ų11064.6 Ų64.659%0.58831%0.309SS*.Hα-helixtrans-84.2-34.9-170.8-66.1-15.6000111.9E301E301-D305 HydrophobicContact CG-CB 4.49Å; E301-D305 WeakPolarHBondContact CG-OD2 3.14Å; E301-D305 VanDerWaalsContact O-CB 3.3Å; E301-D305 WeakPolarHBondContact O-CB 3.15Å; E301-D305 PolarHBondContact O-N 3.03Å
306Y88.4Confident91.4Very high23 Ų2363.9 Ų63.99%0.0931%0.307CS..SBendtrans-99.7-12-178.4-58.4-93.4000112.8K206 L209 Q210 K213 E301 V302 L308K206-Y306 WeakPolarHBondContact CB-OH 3.43Å; K206-Y306 WeakPolarHBondContact CD-OH 3.45Å; K206-Y306 WeakPolarHBondContact CG-OH 3.46Å; L209-Y306 HydrophobicContact CB-CD1 3.94Å; L209-Y306 HydrophobicContact CB-CE1 4.17Å; L209-Y306 HydrophobicContact CB-CG 4.3Å; L209-Y306 HydrophobicContact CD1-CD2 4.37Å; L209-Y306 HydrophobicContact CD1-CE2 4.24Å; Q210-Y306 HydrophobicContact CG-CD1 4.02Å; Q210-Y306 HydrophobicContact CG-CE1 3.95Å; K213-Y306 VanDerWaalsContact CD-O 3.24Å; K213-Y306 WeakPolarHBondContact CD-O 3.34Å; K213-Y306 VanDerWaalsContact CE-O 3.26Å; K213-Y306 WeakPolarHBondContact CE-O 3.47Å; K213-Y306 PolarHBondContact NZ-O 3.35Å; E301-Y306 HydrophobicContact CG-CE2 4.44Å; V302-Y306 WeakPolarHBondContact O-CB 3.38Å; V302-Y306 PolarHBondContact O-N 2.5Å; Y306-L308 PolarHBondContact O-N 3.34Å
307Q89.1Confident91.4Very high144 Ų14465.7 Ų65.767%0.67332%0.316SS*.  trans54.839.3-177.9-55.5167.4-20.100112V302 E303V302-Q307 PolarHBondContact O-N 3.43Å; E303-Q307 VanDerWaalsContact O-CA 3.29Å; E303-Q307 WeakPolarHBondContact O-CA 3.4Å; E303-Q307 PolarHBondContact O-N 2.93Å
308L89.3Confident91.5Very high15 Ų1563.2 Ų63.28%0.07931%0.313CS..  trans-95.2104.4174-78.4167.5000108.3L209 L212 K213 L272 V302 E303 Y306 V310L209-L308 HydrophobicContact CB-CD1 4.36Å; L209-L308 HydrophobicContact CD2-CD1 4.03Å; L212-L308 HydrophobicContact CD2-CD1 4.21Å; K213-L308 HydrophobicContact CB-CD2 4.02Å; K213-L308 HydrophobicContact CB-CG 4.4Å; K213-L308 HydrophobicContact CG-CD2 4.47Å; L272-L308 HydrophobicContact CD2-CB 3.97Å; L272-L308 HydrophobicContact CD2-CD2 4.15Å; V302-L308 HydrophobicContact CG1-CB 3.71Å; V302-L308 HydrophobicContact CG1-CD1 3.95Å; V302-L308 HydrophobicContact CG1-CG 4.47Å; V302-L308 PolarHBondContact O-N 3.23Å; E303-L308 WeakPolarHBondContact CG-O 3.3Å; Y306-L308 PolarHBondContact O-N 3.34Å; L308-V310 PolarHBondContact O-N 2.88Å
309E88.6Confident91.3Very high171 Ų17163.3 Ų63.380%0.79932%0.315SS*.  trans-74.2108.9177.3-171.5177.9-178.900110.1T311E309-T311 PolarHBondContact O-N 3.03Å
310V92.1Very high91Very high14 Ų1470.3 Ų70.39%0.08535%0.352CS..  trans-81.2104.8176.8-179.90000108.8F257 L272 F274 L299 E303 L308 K312 K313F257-V310 HydrophobicContact CE1-CG2 4.15Å; L272-V310 HydrophobicContact CD2-CG2 4.1Å; F274-V310 HydrophobicContact CB-CG1 3.53Å; L299-V310 HydrophobicContact CD2-CG2 4.2Å; E303-V310 HydrophobicContact CG-CG2 4.49Å; L308-V310 PolarHBondContact O-N 2.88Å; V310-K312 VanDerWaalsContact C-N 3.33Å; V310-K312 WeakPolarHBondContact CG1-O 3.01Å; V310-K312 PolarHBondContact O-N 3.01Å; V310-K313 HydrophobicContact CG1-CG 3.83Å
311T92.3Very high90.6Very high76 Ų7669.3 Ų69.347%0.46636%0.357SS..SBendtrans-62.1-41.1-177.8-46.30000112A271 L272 E309 V331A271-T311 HydrophobicContact CB-CG2 4.08Å; L272-T311 PolarHBondContact N-OG1 3.43Å; L272-T311 PolarHBondContact O-N 3.17Å; E309-T311 PolarHBondContact O-N 3.03Å; T311-V331 HydrophobicContact CG2-CG1 4.13Å
312K93.4Very high90.6Very high52 Ų5267.2 Ų67.223%0.22635%0.347CS..EExtended strand (participates in β ladder)trans-143.4136.3-179.6-169.767.3-177.1-128.50111.5F274 V310 M314 E330 V331F274-K312 PolarHBondContact N-O 3.31Å; V310-K312 VanDerWaalsContact C-N 3.33Å; V310-K312 WeakPolarHBondContact CG1-O 3.01Å; V310-K312 PolarHBondContact O-N 3.01Å; K312-M314 HydrophobicContact CG-CE 4.29Å; K312-E330 VanDerWaalsContact CD-O 3.31Å; K312-E330 WeakPolarHBondContact CD-O 3.35Å; K312-E330 WeakPolarHBondContact CE-O 3.24Å; K312-E330 WeakPolarHBondContact CE-OE2 3.43Å; K312-E330 HydrophobicContact CG-CB 4.38Å; K312-E330 PolarHBondContact NZ-O 3.3Å; K312-E330 IonicContact NZ-OE2 3.87Å; K312-E330 PolarHBondContact NZ-OE2 3.2Å; K312-V331 HydrophobicContact CB-CG2 4.25Å
313K94.6Very high90.6Very high91 Ų9170.5 Ų70.540%0.39637%0.368SS..EExtended strand (participates in β ladder)trans-109.2118.2174.8-63.7163.5-177.3-178.10107.2F274 L299 E303 V310F274-K313 HydrophobicContact CB-CG 4.44Å; F274-K313 HydrophobicContact CD1-CB 4.45Å; F274-K313 HydrophobicContact CD1-CG 4.48Å; L299-K313 HydrophobicContact CD1-CD 3.75Å; L299-K313 HydrophobicContact CD1-CG 4.11Å; E303-K313 WeakPolarHBondContact OE1-CE 3.44Å; E303-K313 IonicContact OE1-NZ 2.69Å; E303-K313 PolarHBondContact OE1-NZ 2.8Å; E303-K313 IonicContact OE2-NZ 3.09Å; V310-K313 HydrophobicContact CG1-CG 3.83Å
314M93.5Very high90.5Very high10 Ų1072.5 Ų72.55%0.04938%0.377CS..EExtended strand (participates in β ladder)trans-126.1149.4-179.157.8-179.456.500111.5V273 F274 I275 Y276 K312 L322 F326 L327 E330V273-M314 HydrophobicContact CG1-CE 3.41Å; V273-M314 VanDerWaalsContact CG1-CE 3.41Å; V273-M314 HydrophobicContact CG1-CG 3.96Å; V273-M314 HydrophobicContact CG1-SD 3.62Å; F274-M314 WeakPolarHBondContact O-CG 3.49Å; F274-M314 PolarHBondContact O-N 3.41Å; I275-M314 WeakPolarHBondContact CA-O 3.22Å; I275-M314 HydrophobicContact CB-CG 4.11Å; I275-M314 HydrophobicContact CD1-SD 3.97Å; I275-M314 HydrophobicContact CG1-CG 3.76Å; I275-M314 HydrophobicContact CG1-SD 3.76Å; I275-M314 HydrophobicContact CG2-CG 4.11Å; I275-M314 HydrophobicContact CG2-SD 4.45Å; Y276-M314 PolarHBondContact N-O 3.37Å; K312-M314 HydrophobicContact CG-CE 4.29Å; M314-L322 HydrophobicContact SD-CD2 4.22Å; M314-F326 HydrophobicContact SD-CE1 4.37Å; M314-L327 HydrophobicContact CE-CD2 3.68Å; M314-L327 HydrophobicContact SD-CD2 3.77Å; M314-E330 HydrophobicContact CE-CB 3.87Å; M314-E330 HydrophobicContact CE-CG 4.2Å
315E94.4Very high90.5Very high120 Ų12071.4 Ų71.456%0.56138%0.376SS*.EExtended strand (participates in β ladder)trans-122.8127.6177-54.9-169.717100107.8Y276 K295Y276-E315 HydrophobicContact CD1-CB 4.45Å; Y276-E315 HydrophobicContact CD1-CG 3.94Å; Y276-E315 WeakPolarHBondContact O-CA 3.32Å; K295-E315 IonicContact NZ-OE1 3.69Å; K295-E315 PolarHBondContact NZ-OE1 2.82Å
316I94.1Very high90.6Very high20 Ų2069.1 Ų69.110%0.10336%0.361CS..EExtended strand (participates in β ladder)trans-133.3152.3-176.663.9178.2000110I248 I275 Y276 S277 M278 L322I248-I316 HydrophobicContact CD1-CD1 3.38Å; I248-I316 HydrophobicContact CG1-CD1 4.39Å; I275-I316 HydrophobicContact CG2-CD1 3.38Å; I275-I316 HydrophobicContact CG2-CG1 3.7Å; Y276-I316 PolarHBondContact O-N 3.13Å; S277-I316 CarbonylContact C-O 3.51Å; S277-I316 WeakPolarHBondContact CA-O 3.5Å; M278-I316 PolarHBondContact N-O 3.01Å; I316-L322 HydrophobicContact CD1-CD1 3.72Å; I316-L322 HydrophobicContact CD1-CD2 4.02Å; I316-L322 HydrophobicContact CD1-CG 3.85Å; I316-L322 HydrophobicContact CG2-CD2 4.19Å
317D90.8Very high90.8Very high111 Ų11168 Ų6859%0.59436%0.356SS*.SBendtrans-90-36.2173.961.8-18.2000112.4M278 P279M278-D317 WeakPolarHBondContact O-CA 3.25Å; P279-D317 WeakPolarHBondContact CA-O 3.42Å
318S91.4Very high90.9Very high40 Ų4065 Ų6528%0.2834%0.339SS..  trans-142.7158.6-174.364.40000112.1D320S318-D320 VanDerWaalsContact C-N 3.32Å
319G89.7Confident91Very high5 Ų569 Ų695%0.05236%0.358CS..G310 helixtrans-75.6-17.9178.300000114.6P245 G321 L322P245-G319 VanDerWaalsContact CB-O 3.28Å; P245-G319 WeakPolarHBondContact CB-O 3.35Å; G319-G321 PolarHBondContact O-N 3.26Å; G319-G321 VanDerWaalsContact O-N 3.11Å; G319-L322 PolarHBondContact O-N 3.4Å
320D87.2Confident91Very high149 Ų14964 Ų6480%0.79733%0.334SS*.G310 helixtrans-63.6-22.2-171.2-63.6-20.9000113.3S318S318-D320 VanDerWaalsContact C-N 3.32Å
321G81.9Confident90.9Very high42 Ų4264.3 Ų64.343%0.43334%0.336SS..G310 helixtrans-88.6-5.5177.200000115.5G319 T323 F326G319-G321 PolarHBondContact O-N 3.26Å; G319-G321 VanDerWaalsContact O-N 3.11Å; G321-T323 VanDerWaalsContact C-N 3.3Å; G321-T323 PolarHBondContact O-N 2.98Å; G321-F326 WeakPolarHBondContact O-CB 3.46Å; G321-F326 WeakPolarHBondContact O-CG 3.48Å
322L90.2Very high90.7Very high3 Ų362.8 Ų62.82%0.01632%0.323CS..  trans-83.471.3-177.4-69.8-165.5000112.6L244 P245 I248 I275 M314 I316 G319 F326 L327L244-L322 HydrophobicContact CD2-CB 4.49Å; L244-L322 HydrophobicContact CD2-CD1 3.68Å; L244-L322 HydrophobicContact CG-CD1 3.74Å; P245-L322 HydrophobicContact CG-CB 4.18Å; P245-L322 WeakPolarHBondContact CG-O 3.3Å; I248-L322 HydrophobicContact CD1-CD1 3.19Å; I248-L322 HydrophobicContact CD1-CG 4.02Å; I275-L322 HydrophobicContact CD1-CD1 3.77Å; M314-L322 HydrophobicContact SD-CD2 4.22Å; I316-L322 HydrophobicContact CD1-CD1 3.72Å; I316-L322 HydrophobicContact CD1-CD2 4.02Å; I316-L322 HydrophobicContact CD1-CG 3.85Å; I316-L322 HydrophobicContact CG2-CD2 4.19Å; G319-L322 PolarHBondContact O-N 3.4Å; L322-F326 HydrophobicContact CD2-CD1 3.86Å; L322-F326 HydrophobicContact CD2-CE1 3.82Å; L322-L327 HydrophobicContact CD2-CD2 4.25Å
323T91.1Very high90.3Very high70 Ų7064.7 Ų64.743%0.42934%0.341SS..  trans-89162.3171.364.40000111.5G321 D325 F326 L327G321-T323 VanDerWaalsContact C-N 3.3Å; G321-T323 PolarHBondContact O-N 2.98Å; T323-D325 VanDerWaalsContact C-N 3.27Å; T323-D325 PolarHBondContact O-N 2.82Å; T323-F326 PolarHBondContact O-N 2.89Å; T323-F326 WeakPolarHBondContact OG1-CB 3.47Å; T323-F326 PolarHBondContact OG1-N 3.07Å; T323-F326 VanDerWaalsContact OG1-N 3.13Å; T323-L327 WeakPolarHBondContact O-CG 3.4Å; T323-L327 PolarHBondContact O-N 3.17Å
324E89.7Confident89.5Confident113 Ų11366.9 Ų66.953%0.52836%0.355SS..Hα-helixtrans-59.2-40.5173.4-173.8170.9-176.100111.5T241 F260 L327 Y328T241-E324 HydrophobicContact CG2-CB 3.89Å; T241-E324 HydrophobicContact CG2-CG 4.27Å; F260-E324 HydrophobicContact CE2-CG 4.14Å; F260-E324 HydrophobicContact CZ-CG 4.14Å; E324-L327 PolarHBondContact O-N 3.35Å; E324-Y328 VanDerWaalsContact O-CB 3.31Å; E324-Y328 WeakPolarHBondContact O-CB 3.44Å; E324-Y328 PolarHBondContact O-N 2.85Å
325D90.4Very high88.6Confident121 Ų12175.3 Ų75.365%0.64739%0.394SS*.Hα-helixtrans-61.5-45176-63.6-30000111.7T323 Y328 E329T323-D325 VanDerWaalsContact C-N 3.27Å; T323-D325 PolarHBondContact O-N 2.82Å; D325-Y328 PolarHBondContact O-N 3.16Å; D325-E329 WeakPolarHBondContact O-CG 3.34Å; D325-E329 PolarHBondContact O-N 3.16Å
326F91.4Very high87.6Confident62 Ų6278.7 Ų78.727%0.27241%0.409SS..Hα-helixtrans-62.7-46.8178.7176.4-100000111.8M314 G321 L322 T323 Y328 E329 E330M314-F326 HydrophobicContact SD-CE1 4.37Å; G321-F326 WeakPolarHBondContact O-CB 3.46Å; G321-F326 WeakPolarHBondContact O-CG 3.48Å; L322-F326 HydrophobicContact CD2-CD1 3.86Å; L322-F326 HydrophobicContact CD2-CE1 3.82Å; T323-F326 PolarHBondContact O-N 2.89Å; T323-F326 WeakPolarHBondContact OG1-CB 3.47Å; T323-F326 PolarHBondContact OG1-N 3.07Å; T323-F326 VanDerWaalsContact OG1-N 3.13Å; F326-Y328 VanDerWaalsContact C-N 3.29Å; F326-Y328 PolarHBondContact O-N 3.47Å; F326-E329 PolarHBondContact O-N 3.12Å; F326-E330 HydrophobicContact CE1-CG 4.08Å; F326-E330 HydrophobicContact CE2-CG 4.12Å; F326-E330 HydrophobicContact CZ-CG 3.85Å; F326-E330 WeakPolarHBondContact O-CB 3.37Å; F326-E330 WeakPolarHBondContact O-CG 3.37Å; F326-E330 PolarHBondContact O-N 3.49Å
327L91.5Very high86.5Confident0 Ų084 Ų840%044%0.443CS..Hα-helixtrans-62.4-38.9176.3-68.9177000111.5T241 L244 F258 F260 M314 L322 T323 E324 E330 V331T241-L327 HydrophobicContact CG2-CD1 4.02Å; L244-L327 HydrophobicContact CD2-CD1 3.96Å; F258-L327 HydrophobicContact CD1-CD1 4.44Å; F258-L327 HydrophobicContact CE1-CD1 4.01Å; F260-L327 HydrophobicContact CD1-CB 4.16Å; F260-L327 HydrophobicContact CD2-CB 4.24Å; F260-L327 HydrophobicContact CD2-CD1 3.8Å; F260-L327 HydrophobicContact CE1-CB 3.81Å; F260-L327 HydrophobicContact CE2-CB 3.91Å; F260-L327 HydrophobicContact CE2-CD1 3.9Å; F260-L327 HydrophobicContact CG-CB 4.36Å; F260-L327 HydrophobicContact CG-CD1 4.34Å; F260-L327 HydrophobicContact CZ-CB 3.67Å; M314-L327 HydrophobicContact CE-CD2 3.68Å; M314-L327 HydrophobicContact SD-CD2 3.77Å; L322-L327 HydrophobicContact CD2-CD2 4.25Å; T323-L327 WeakPolarHBondContact O-CG 3.4Å; T323-L327 PolarHBondContact O-N 3.17Å; E324-L327 PolarHBondContact O-N 3.35Å; L327-E330 PolarHBondContact O-N 3.33Å; L327-V331 WeakPolarHBondContact O-CB 3.43Å; L327-V331 VanDerWaalsContact O-CG2 3.24Å; L327-V331 WeakPolarHBondContact O-CG2 3.4Å; L327-V331 PolarHBondContact O-N 2.88Å
328Y91.9Very high85.8Confident81 Ų8186.6 Ų86.632%0.31846%0.456SS..Hα-helixtrans-64.7-46.7177.4-175.2-88.4000112H262 H264 E324 D325 F326 E330 V331 H332H262-Y328 AromaticContact CD2-CD2 3.88Å; H262-Y328 AromaticContact CD2-CE2 3.98Å; H264-Y328 HydrophobicContact CB-CE2 4.35Å; H264-Y328 AromaticContact CD2-CZ 3.86Å; H264-Y328 PolarHBondContact CD2-OH 3.14Å; H264-Y328 VanDerWaalsContact CD2-OH 3.24Å; E324-Y328 VanDerWaalsContact O-CB 3.31Å; E324-Y328 WeakPolarHBondContact O-CB 3.44Å; E324-Y328 PolarHBondContact O-N 2.85Å; D325-Y328 PolarHBondContact O-N 3.16Å; F326-Y328 VanDerWaalsContact C-N 3.29Å; F326-Y328 PolarHBondContact O-N 3.47Å; Y328-E330 VanDerWaalsContact C-N 3.33Å; Y328-E330 PolarHBondContact O-N 2.96Å; Y328-V331 PolarHBondContact O-N 3.05Å; Y328-H332 HydrophobicContact CE1-CB 4.45Å; Y328-H332 AromaticContact CE2-CD2 3.91Å; Y328-H332 WeakPolarHBondContact O-CB 3.5Å; Y328-H332 PolarHBondContact O-N 3.23Å
329E90.1Very high85.2Confident99 Ų9994.6 Ų94.646%0.46349%0.486SS..Hα-helixtrans-63.2-37.4177.1-73.7-177.5175.600112.6D325 F326 H332 P333 M334D325-E329 WeakPolarHBondContact O-CG 3.34Å; D325-E329 PolarHBondContact O-N 3.16Å; F326-E329 PolarHBondContact O-N 3.12Å; E329-H332 CarbonylContact O-C 3.55Å; E329-P333 WeakPolarHBondContact O-CA 3.36Å; E329-M334 HydrophobicContact CG-CE 4.12Å
330E89.5Confident84.7Confident64 Ų64103.4 Ų103.430%0.29953%0.525SS..Hα-helixtrans-70.5-37.4177.9-79.6-62.6155.900112.6K312 M314 F326 L327 Y328K312-E330 VanDerWaalsContact CD-O 3.31Å; K312-E330 WeakPolarHBondContact CD-O 3.35Å; K312-E330 WeakPolarHBondContact CE-O 3.24Å; K312-E330 WeakPolarHBondContact CE-OE2 3.43Å; K312-E330 HydrophobicContact CG-CB 4.38Å; K312-E330 PolarHBondContact NZ-O 3.3Å; K312-E330 IonicContact NZ-OE2 3.87Å; K312-E330 PolarHBondContact NZ-OE2 3.2Å; M314-E330 HydrophobicContact CE-CB 3.87Å; M314-E330 HydrophobicContact CE-CG 4.2Å; F326-E330 HydrophobicContact CE1-CG 4.08Å; F326-E330 HydrophobicContact CE2-CG 4.12Å; F326-E330 HydrophobicContact CZ-CG 3.85Å; F326-E330 WeakPolarHBondContact O-CB 3.37Å; F326-E330 WeakPolarHBondContact O-CG 3.37Å; F326-E330 PolarHBondContact O-N 3.49Å; L327-E330 PolarHBondContact O-N 3.33Å; Y328-E330 VanDerWaalsContact C-N 3.33Å; Y328-E330 PolarHBondContact O-N 2.96Å
331V90.3Very high84.5Confident21 Ų21101 Ų10113%0.12753%0.526CS..Hα-helixtrans-76.6-35.3176.4177.20000111.3F260 A271 V273 T311 K312 L327 Y328 P333F260-V331 HydrophobicContact CD1-CG2 4.29Å; A271-V331 HydrophobicContact CB-CG1 4.08Å; A271-V331 HydrophobicContact CB-CG2 4.47Å; V273-V331 HydrophobicContact CG2-CG2 4.09Å; T311-V331 HydrophobicContact CG2-CG1 4.13Å; K312-V331 HydrophobicContact CB-CG2 4.25Å; L327-V331 WeakPolarHBondContact O-CB 3.43Å; L327-V331 VanDerWaalsContact O-CG2 3.24Å; L327-V331 WeakPolarHBondContact O-CG2 3.4Å; L327-V331 PolarHBondContact O-N 2.88Å; Y328-V331 PolarHBondContact O-N 3.05Å; V331-P333 WeakPolarHBondContact O-CD 3.48Å
332H88.2Confident84.8Confident44 Ų44108.6 Ų108.620%0.20455%0.547CS..SBendtrans-123.381.7179.4-56.9-71.3000110.9H262 H264 Y328 E329 M334H262-H332 AromaticContact CD2-NE2 3.71Å; H262-H332 AromaticContact CE1-NE2 3.74Å; H262-H332 AromaticContact NE2-CD2 3.84Å; H262-H332 AromaticContact NE2-CE1 3.95Å; H262-H332 AromaticContact NE2-NE2 2.96Å; H262-H332 PolarHBondContact NE2-NE2 3Å; H264-H332 AromaticContact CD2-CD2 3.71Å; H264-H332 AromaticContact CD2-CE1 3.63Å; H264-H332 AromaticContact CD2-CG 3.58Å; H264-H332 AromaticContact CD2-ND1 3.55Å; H264-H332 AromaticContact CD2-NE2 3.74Å; H264-H332 AromaticContact CE1-ND1 3.92Å; H264-H332 AromaticContact CG-CE1 3.71Å; H264-H332 AromaticContact CG-NE2 3.85Å; H264-H332 AromaticContact ND1-CE1 4Å; H264-H332 AromaticContact NE2-CE1 3.96Å; H264-H332 AromaticContact NE2-CG 3.84Å; H264-H332 AromaticContact NE2-ND1 3.53Å; Y328-H332 HydrophobicContact CE1-CB 4.45Å; Y328-H332 AromaticContact CE2-CD2 3.91Å; Y328-H332 WeakPolarHBondContact O-CB 3.5Å; Y328-H332 PolarHBondContact O-N 3.23Å; E329-H332 CarbonylContact O-C 3.55Å; H332-M334 PolarHBondContact O-N 3.09Å
333P83.8Confident84.8Confident92 Ų92113.1 Ų113.160%0.59759%0.585SS**PPolyproline II helixtrans-58.2128.3-178.6-22.832.4000111.3E329 V331 E335E329-P333 WeakPolarHBondContact O-CA 3.36Å; V331-P333 WeakPolarHBondContact O-CD 3.48Å; P333-E335 PolarHBondContact O-N 2.94Å
334M77.9Confident84.7Confident138 Ų138119 Ų11968%0.6861%0.605SS**PPolyproline II helixtrans-63.2131.5173.3-63.7-165.3-174.100109.8E329 H332 H336E329-M334 HydrophobicContact CG-CE 4.12Å; H332-M334 PolarHBondContact O-N 3.09Å; M334-H336 PolarHBondContact O-N 3.08Å
335E75.4Confident84.7Confident187 Ų187119.4 Ų119.487%0.87462%0.617SS**PPolyproline II helixtrans-59.7126.3170.9-66.4-167.4153.500109.1P333 T337P333-E335 PolarHBondContact O-N 2.94Å; E335-T337 PolarHBondContact O-N 3.38Å
336H74.1Confident84.5Confident190 Ų190125.5 Ų125.588%0.8863%0.631SS**  trans-52.4112.5178.9-73.1-62.9000110M334 L338M334-H336 PolarHBondContact O-N 3.08Å; H336-L338 PolarHBondContact O-N 2.9Å
337T70.3Confident84Confident132 Ų132125.2 Ų125.281%0.8165%0.645SS**PPolyproline II helixtrans-57.8132.9171.946.80000108.4E335 K339E335-T337 PolarHBondContact O-N 3.38Å; T337-K339 PolarHBondContact O-N 2.96Å; T337-K339 VanDerWaalsContact O-N 3.17Å
338L76Confident83.8Confident165 Ų165129.7 Ų129.786%0.86468%0.675SS**PPolyproline II helixtrans-49.2126.5-179.8-70.2167000109.2H336 Q340H336-L338 PolarHBondContact O-N 2.9Å; L338-Q340 PolarHBondContact O-N 2.99Å
339K77.9Confident83.4Confident209 Ų209129.7 Ų129.791%0.90970%0.699SS**PPolyproline II helixtrans-49117.2179.3-73.6-175.6178.2-178.70109.1T337 A341T337-K339 PolarHBondContact O-N 2.96Å; T337-K339 VanDerWaalsContact O-N 3.17Å; K339-A341 PolarHBondContact O-N 3Å; K339-A341 VanDerWaalsContact O-N 3.08Å
340Q80.4Confident83Confident189 Ų189128.6 Ų128.688%0.88372%0.715SS**  trans-62.9114.9177.5-71.1-175.9-5.600108.8L338L338-Q340 PolarHBondContact O-N 2.99Å
341A82.7Confident82.3Confident98 Ų98133 Ų13381%0.8173%0.732SS**PPolyproline II helixtrans-86.8128.1175.200000109.3K339K339-A341 PolarHBondContact O-N 3Å; K339-A341 VanDerWaalsContact O-N 3.08Å
342F88.1Confident81.5Confident202 Ų202144.1 Ų144.189%0.88677%0.772SS**PPolyproline II helixtrans-61.5140.8171-68.4-81.9000110.6K344F342-K344 PolarHBondContact O-N 2.75Å
343A89.4Confident81Confident98 Ų98144.8 Ų144.881%0.8179%0.791SS**PPolyproline II helixtrans-60.5131.1174.900000109.9
344K88.9Confident81.1Confident195 Ų195147.5 Ų147.585%0.84880%0.8SS**PPolyproline II helixtrans-58.4144.9172.3-68.6-178.1178.9-179.70109.3F342F342-K344 PolarHBondContact O-N 2.75Å
345P90.2Very high81.2Confident120 Ų120151 Ų15178%0.77981%0.812SS**PPolyproline II helixtrans-50.9150.7175.1-2633.2000112G347P345-G347 PolarHBondContact O-N 3.48Å
346R86.2Confident81.7Confident250 Ų250152.6 Ų152.694%0.94381%0.81SS**PPolyproline II helixtrans-57.6130.6173.2-68.9-173179.6-159.30.6108.6
347G81.5Confident82.3Confident55 Ų55151 Ų15157%0.56781%0.807SS**PPolyproline II helixtrans-62.8171.4176.300000112P345 G349P345-G347 PolarHBondContact O-N 3.48Å; G347-G349 PolarHBondContact O-N 3.42Å
348P86.3Confident83Confident95 Ų95152.3 Ų152.362%0.61781%0.807SS**PPolyproline II helixtrans-48.8129.7178.6-25.230.8000112.1
349G83.2Confident83.2Confident80 Ų80151.2 Ų151.283%0.82580%0.795SS**THydrogen-bonded Turntrans-62.8144.7178.500000112.1G347G347-G349 PolarHBondContact O-N 3.42Å
350G81.7Confident82.8Confident77 Ų77149.3 Ų149.379%0.79479%0.79SS**THydrogen-bonded Turntrans79.317.2173.600000116.3R352G350-R352 PolarHBondContact O-N 3.42Å
351K74.9Confident82Confident155 Ų155147.6 Ų147.667%0.67479%0.792SS**  trans-57.8109.9172.8-80.6-171.4176.3-1720110.8G353K351-G353 PolarHBondContact O-N 3.03Å
352R74.2Confident80.7Confident256 Ų256146.1 Ų146.197%0.96679%0.787SS**  trans-84106.5171.2-68.4-178.9172.9-177.5-2.4108.6G350G350-R352 PolarHBondContact O-N 3.42Å
353G78.6Confident78.6Confident57 Ų57145.2 Ų145.259%0.58879%0.785SS**SBendtrans119.1149.4171.900000114.8K351K351-G353 PolarHBondContact O-N 3.03Å
354N84.3Confident76.3Confident150 Ų150146.8 Ų146.880%0.80278%0.78SS**  trans-65.4151.3176.7-66-13000110.7R356N354-R356 PolarHBondContact O-N 3.23Å
355K81.1Confident74.2Confident211 Ų211141 Ų14192%0.91778%0.776SS**  trans-57.5123.2170.6-69.2-178.9-177.1175.10108.4
356R85.1Confident71.6Confident220 Ų220144.7 Ų144.783%0.8378%0.783SS**  trans-108.2144.2174.7-63.2180-176.9-173.9-1.6108.5N354 I358N354-R356 PolarHBondContact O-N 3.23Å; R356-I358 PolarHBondContact O-N 2.99Å
357L87.3Confident69.4Low157 Ų157141.7 Ų141.782%0.82278%0.779SS**  trans-68.8124.5167-171.868.9000107.6K359L357-K359 VanDerWaalsContact C-N 3.33Å; L357-K359 PolarHBondContact O-N 3.03Å
358I84.8Confident67.1Low160 Ų160150.3 Ų150.382%0.82181%0.812SS**  trans-84.687.7169.9-55.5174.5000105.3R356R356-I358 PolarHBondContact O-N 2.99Å
359K79.9Confident66.1Low141 Ų141153.1 Ų153.161%0.61382%0.822SS**  trans-85.1122171.1-171.3177.8179.1-173.40107.3L357 T361 N364L357-K359 VanDerWaalsContact C-N 3.33Å; L357-K359 PolarHBondContact O-N 3.03Å; K359-T361 PolarHBondContact O-N 3.43Å; K359-N364 PolarHBondContact NZ-OD1 2.99Å
360E70.8Confident65.2Low170 Ų170156.9 Ų156.979%0.79482%0.822SS**  trans-70.2124.1168.3-67.9-176.117200108.2G362E360-G362 VanDerWaalsContact C-N 3.34Å; E360-G362 PolarHBondContact O-N 3.24Å
361T62.5Low64.3Low152 Ų152161.4 Ų161.493%0.93382%0.824SS**THydrogen-bonded Turntrans-76.586.8172.438.10000108.2K359K359-T361 PolarHBondContact O-N 3.43Å
362G55.1Low63.7Low67 Ų67161.8 Ų161.869%0.69183%0.832SS**THydrogen-bonded Turntrans-163.3-28.6-178.800000116.2E360E360-G362 VanDerWaalsContact C-N 3.34Å; E360-G362 PolarHBondContact O-N 3.24Å
363E45.3Very low63Low183 Ų183155.9 Ų155.986%0.85582%0.824SS**  trans-110.970.7172.8-74.5-176.9156.800110.1
364N40.5Very low62Low132 Ų132162.5 Ų162.571%0.70684%0.84SS**  trans-96.8107.5147.3-78.1-12.1000104.7K359 E366K359-N364 PolarHBondContact NZ-OD1 2.99Å; N364-E366 PolarHBondContact O-N 3.17Å
365G44.1Very low60.4Low73 Ų73163.4 Ų163.475%0.75384%0.843SS**  trans-50.8125.8165.900000108.9E367G365-E367 PolarHBondContact O-N 3.3Å
366E36.6Very low58.8Low198 Ų198159.7 Ų159.793%0.92584%0.837SS**  trans-63.787.5157.4-69.5-178.9157.100106.6N364N364-E366 PolarHBondContact O-N 3.17Å
367E39.4Very low56.6Low186 Ų186154.7 Ų154.787%0.86984%0.837SS**  trans-81.297.5146.5-82.8-173.716700106.4G365G365-E367 PolarHBondContact O-N 3.3Å
368N33.1Very low53.8Low237 Ų237154.5 Ų154.5100%1.26784%0.839SS**  trans-151.60143.6-108.9-2.3000109.8

Retrieved 368 of 368 residues in 76.9 ms (Link to these results)

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