A0A077Z3U3_TRITR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A077Z3U3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 333 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
1M37.3Very low71.9Confident240 Ų240113.5 Ų113.5100%1.18262%0.624SS**  0119.30-61.3-175-148.300105.3D3M1-D3 PolarHBondContact O-N 3.18Å
2A40.5Very low74.1Confident99 Ų99104.1 Ų104.182%0.81857%0.572SS**  trans-56.3129.8174.200000107.2A4A2-A4 PolarHBondContact O-N 3.34Å
3D44.7Very low76Confident162 Ų16297 Ų9787%0.86653%0.533SS*.  trans-47.8107.9178.6-148-7.1000106.9M1 E5M1-D3 PolarHBondContact O-N 3.18Å; D3-E5 PolarHBondContact O-N 3.08Å
4A51.9Low77.5Confident86 Ų8694.4 Ų94.471%0.71153%0.53SS*.  trans-69.194.3-177.400000104.5A2 K6A2-A4 PolarHBondContact O-N 3.34Å; A4-K6 PolarHBondContact O-N 3.13Å
5E56.2Low78.8Confident184 Ų18492.4 Ų92.486%0.8651%0.511SS*.  trans-41.2109.5170.9-79.7-176.4158.400106.6D3 L7D3-E5 PolarHBondContact O-N 3.08Å; E5-L7 PolarHBondContact O-N 2.83Å
6K77.8Confident80Confident198 Ų19886.7 Ų86.786%0.86148%0.48SS*.  trans-56.2111.5-172.9-176.5-179179.7-177.60106.1A4 N8A4-K6 PolarHBondContact O-N 3.13Å; K6-N8 PolarHBondContact O-N 3.32Å
7L92.9Very high81Confident33 Ų3383.4 Ų83.417%0.17346%0.461CS..  trans-48.8109.7-174.3-176.373.6000109.9E5 I9 I12 E34 G37 L38 K41E5-L7 PolarHBondContact O-N 2.83Å; L7-I9 HydrophobicContact CD2-CD1 3.51Å; L7-I9 HydrophobicContact CD2-CG1 4.43Å; L7-I9 HydrophobicContact CG-CD1 3.9Å; L7-I9 PolarHBondContact O-N 3.47Å; L7-I9 VanDerWaalsContact O-N 3.13Å; L7-I12 HydrophobicContact CD1-CD1 3.63Å; L7-I12 HydrophobicContact CG-CD1 4.1Å; L7-E34 HydrophobicContact CD1-CB 4.29Å; L7-E34 HydrophobicContact CD1-CG 4.36Å; L7-G37 VanDerWaalsContact CD2-C 3.42Å; L7-L38 HydrophobicContact CD2-CD2 4.28Å; L7-K41 HydrophobicContact CD2-CD 3.79Å
8N96.7Very high81.8Confident90 Ų9086.2 Ų86.248%0.48147%0.47SS..  trans-86.687.1-175.2-173-22000109.6K6 D10 S11 I12K6-N8 PolarHBondContact O-N 3.32Å; N8-D10 VanDerWaalsContact C-N 3.3Å; N8-D10 PolarHBondContact O-N 2.97Å; N8-D10 PolarHBondContact OD1-N 3.08Å; N8-S11 VanDerWaalsContact CG-CB 3.47Å; N8-S11 PolarHBondContact O-N 3.13Å; N8-S11 WeakPolarHBondContact OD1-CB 3.46Å; N8-S11 PolarHBondContact OD1-N 3.45Å; N8-I12 WeakPolarHBondContact O-CG1 3.19Å; N8-I12 PolarHBondContact O-N 3.03Å; N8-I12 VanDerWaalsContact O-N 3.12Å
9I97.9Very high82.3Confident21 Ų2181.9 Ų81.911%0.10845%0.447CS..Hα-helixtrans-59.6-39.3-177.8-63.1-63000111.9L7 S11 I12 I13 L38 A109 I112 K113L7-I9 HydrophobicContact CD2-CD1 3.51Å; L7-I9 HydrophobicContact CD2-CG1 4.43Å; L7-I9 HydrophobicContact CG-CD1 3.9Å; L7-I9 PolarHBondContact O-N 3.47Å; L7-I9 VanDerWaalsContact O-N 3.13Å; I9-S11 PolarHBondContact O-N 2.9Å; I9-I12 PolarHBondContact O-N 3.48Å; I9-I13 HydrophobicContact CG2-CD1 3.73Å; I9-I13 HydrophobicContact CG2-CG1 4.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.22Å; I9-I13 PolarHBondContact O-N 3.24Å; I9-L38 HydrophobicContact CD1-CD2 3.57Å; I9-A109 HydrophobicContact CG2-CB 4.43Å; I9-I112 HydrophobicContact CD1-CB 4.21Å; I9-I112 HydrophobicContact CD1-CD1 3.92Å; I9-I112 HydrophobicContact CD1-CG2 3.87Å; I9-I112 HydrophobicContact CG1-CG2 3.86Å; I9-K113 HydrophobicContact CG2-CB 3.94Å; I9-K113 HydrophobicContact CG2-CD 4.44Å; I9-K113 HydrophobicContact CG2-CG 4.49Å
10D97.8Very high82.6Confident91 Ų9183.2 Ų83.249%0.48745%0.445SS..Hα-helixtrans-63.3-42.8179.6-66.5-35000112N8 I12 I13 A14 K113N8-D10 VanDerWaalsContact C-N 3.3Å; N8-D10 PolarHBondContact O-N 2.97Å; N8-D10 PolarHBondContact OD1-N 3.08Å; D10-I12 VanDerWaalsContact C-N 3.34Å; D10-I12 PolarHBondContact O-N 2.94Å; D10-I13 PolarHBondContact O-N 2.8Å; D10-A14 VanDerWaalsContact O-CB 3.3Å; D10-A14 WeakPolarHBondContact O-CB 3.44Å; D10-A14 PolarHBondContact O-N 3.14Å; D10-K113 WeakPolarHBondContact OD1-CE 3.26Å; D10-K113 IonicContact OD1-NZ 2.63Å; D10-K113 PolarHBondContact OD1-NZ 3.44Å
11S97.5Very high82.6Confident45 Ų4583.1 Ų83.132%0.31546%0.464SS..Hα-helixtrans-64-38.1174.8173.10000112.6N8 I9 R15N8-S11 VanDerWaalsContact CG-CB 3.47Å; N8-S11 PolarHBondContact O-N 3.13Å; N8-S11 WeakPolarHBondContact OD1-CB 3.46Å; N8-S11 PolarHBondContact OD1-N 3.45Å; I9-S11 PolarHBondContact O-N 2.9Å; S11-R15 WeakPolarHBondContact O-CG 3.27Å; S11-R15 PolarHBondContact O-N 3Å; S11-R15 VanDerWaalsContact O-N 3.09Å; S11-R15 PolarHBondContact O-NE 3.5Å
12I98.3Very high84.9Confident0 Ų073.7 Ų73.70%042%0.421CS..Hα-helixtrans-65.1-49.8176.6-70.3168.6000110.4L7 N8 I9 D10 A14 R15 L16 L30 E34 L38 A109L7-I12 HydrophobicContact CD1-CD1 3.63Å; L7-I12 HydrophobicContact CG-CD1 4.1Å; N8-I12 WeakPolarHBondContact O-CG1 3.19Å; N8-I12 PolarHBondContact O-N 3.03Å; N8-I12 VanDerWaalsContact O-N 3.12Å; I9-I12 PolarHBondContact O-N 3.48Å; D10-I12 VanDerWaalsContact C-N 3.34Å; D10-I12 PolarHBondContact O-N 2.94Å; I12-A14 PolarHBondContact O-N 3.41Å; I12-R15 PolarHBondContact O-N 3.3Å; I12-L16 HydrophobicContact CG2-CD1 3.7Å; I12-L16 WeakPolarHBondContact O-CB 3.34Å; I12-L16 WeakPolarHBondContact O-CG 3.5Å; I12-L16 PolarHBondContact O-N 3.02Å; I12-L30 HydrophobicContact CG1-CD2 4.38Å; I12-L30 HydrophobicContact CG2-CD1 4.16Å; I12-L30 HydrophobicContact CG2-CD2 4.16Å; I12-E34 HydrophobicContact CD1-CB 4.01Å; I12-E34 HydrophobicContact CD1-CG 4.2Å; I12-L38 HydrophobicContact CD1-CD2 4.16Å; I12-L38 HydrophobicContact CD1-CG 4.35Å; I12-L38 HydrophobicContact CG2-CD1 4.16Å; I12-L38 HydrophobicContact CG2-CD2 4.47Å; I12-A109 HydrophobicContact CG2-CB 4.21Å
13I98.3Very high87.1Confident12 Ų1275.7 Ų75.76%0.06241%0.408CS..Hα-helixtrans-59.8-47.3177.9-67.3169.7000110I9 D10 R15 L16 L17 L106 A109 Y110 K113I9-I13 HydrophobicContact CG2-CD1 3.73Å; I9-I13 HydrophobicContact CG2-CG1 4.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.22Å; I9-I13 PolarHBondContact O-N 3.24Å; D10-I13 PolarHBondContact O-N 2.8Å; I13-R15 PolarHBondContact O-N 3Å; I13-L16 PolarHBondContact O-N 3.3Å; I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.14Å; I13-L17 VanDerWaalsContact O-CG 3.31Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 3.46Å; I13-L106 HydrophobicContact CG2-CD1 4.43Å; I13-A109 HydrophobicContact CD1-CB 4.21Å; I13-A109 HydrophobicContact CG1-CB 3.65Å; I13-Y110 HydrophobicContact CD1-CD1 3.86Å; I13-Y110 HydrophobicContact CD1-CE1 4Å; I13-Y110 HydrophobicContact CG1-CE1 4.44Å; I13-Y110 HydrophobicContact CG2-CE1 3.82Å; I13-K113 HydrophobicContact CD1-CB 4.2Å; I13-K113 HydrophobicContact CD1-CD 3.63Å
14A97.3Very high89.2Confident61 Ų6171.2 Ų71.250%0.50439%0.388SS..Hα-helixtrans-57.3-47179.800000112.5D10 I12 L17 E18D10-A14 VanDerWaalsContact O-CB 3.3Å; D10-A14 WeakPolarHBondContact O-CB 3.44Å; D10-A14 PolarHBondContact O-N 3.14Å; I12-A14 PolarHBondContact O-N 3.41Å; A14-L17 PolarHBondContact O-N 3.38Å; A14-E18 PolarHBondContact O-N 3.28Å
15R97.4Very high90.9Very high64 Ų6469.3 Ų69.324%0.24238%0.377CS..Hα-helixtrans-64.3-39.3176.5-78.5-177.3-71.2165.4-7.5112.8S11 I12 I13 L17 E18 V28 Q29 E34S11-R15 WeakPolarHBondContact O-CG 3.27Å; S11-R15 PolarHBondContact O-N 3Å; S11-R15 VanDerWaalsContact O-N 3.09Å; S11-R15 PolarHBondContact O-NE 3.5Å; I12-R15 PolarHBondContact O-N 3.3Å; I13-R15 PolarHBondContact O-N 3Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-E18 PolarHBondContact O-N 3.31Å; R15-V28 HydrophobicContact CB-CG1 4.1Å; R15-V28 WeakPolarHBondContact O-CG1 3.31Å; R15-Q29 PolarHBondContact NH1-O 3.43Å; R15-E34 IonicContact CZ-OE1 3.45Å; R15-E34 IonicContact CZ-OE2 3.76Å; R15-E34 IonicContact NH1-OE1 3.72Å; R15-E34 PolarHBondContact NH1-OE1 3.39Å; R15-E34 IonicContact NH1-OE2 3.11Å; R15-E34 PolarHBondContact NH1-OE2 3.39Å; R15-E34 VanDerWaalsContact NH1-OE2 3.11Å; R15-E34 VanDerWaalsContact NH2-CD 3.31Å; R15-E34 IonicContact NH2-OE1 2.65Å; R15-E34 PolarHBondContact NH2-OE1 3.38Å; R15-E34 IonicContact NH2-OE2 3.5Å; R15-E34 PolarHBondContact NH2-OE2 3.09Å
16L97.8Very high92.6Very high1 Ų165.3 Ų65.31%0.00536%0.356CS..Hα-helixtrans-64.1-40.2176.6-77.5167.1000111.1I12 I13 V28 L30 Y69 E102 C105 L106I12-L16 HydrophobicContact CG2-CD1 3.7Å; I12-L16 WeakPolarHBondContact O-CB 3.34Å; I12-L16 WeakPolarHBondContact O-CG 3.5Å; I12-L16 PolarHBondContact O-N 3.02Å; I13-L16 PolarHBondContact O-N 3.3Å; L16-V28 HydrophobicContact CD2-CB 4.03Å; L16-V28 HydrophobicContact CD2-CG1 4Å; L16-V28 HydrophobicContact CD2-CG2 4.28Å; L16-V28 HydrophobicContact CG-CG1 4.33Å; L16-L30 HydrophobicContact CD1-CD1 4.29Å; L16-L30 HydrophobicContact CD2-CD1 4.31Å; L16-L30 HydrophobicContact CG-CD1 4.43Å; L16-Y69 WeakPolarHBondContact CB-OH 3.49Å; L16-Y69 PolarHBondContact O-OH 2.97Å; L16-E102 HydrophobicContact CD2-CB 4.16Å; L16-E102 HydrophobicContact CD2-CG 4.2Å; L16-C105 HydrophobicContact CD1-CB 4.11Å; L16-L106 HydrophobicContact CB-CD1 4.04Å; L16-L106 HydrophobicContact CD1-CB 3.99Å; L16-L106 HydrophobicContact CD1-CD1 4.19Å
17L97Very high93.4Very high31 Ų3159.6 Ų59.616%0.16234%0.335CS..Hα-helixtrans-78.6-20.8179.1-64.1-178.8000114.2I13 A14 R15 V19 R20 L73 F81 L106 Y110I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.14Å; I13-L17 VanDerWaalsContact O-CG 3.31Å; I13-L17 WeakPolarHBondContact O-CG 3.37Å; I13-L17 PolarHBondContact O-N 3.46Å; A14-L17 PolarHBondContact O-N 3.38Å; R15-L17 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 3.47Å; L17-V19 VanDerWaalsContact O-N 3.13Å; L17-R20 WeakPolarHBondContact O-CB 3.46Å; L17-R20 PolarHBondContact O-N 2.9Å; L17-R20 VanDerWaalsContact O-N 3.08Å; L17-L73 HydrophobicContact CD2-CD2 3.63Å; L17-F81 HydrophobicContact CD1-CD1 4.38Å; L17-F81 HydrophobicContact CD1-CE1 4.33Å; L17-F81 HydrophobicContact CD2-CD1 4.43Å; L17-F81 HydrophobicContact CD2-CE1 3.77Å; L17-L106 HydrophobicContact CD2-CD1 4.26Å; L17-L106 HydrophobicContact CD2-CD2 4.1Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.36Å
18E94.2Very high93.5Very high134 Ų13458.4 Ų58.463%0.62633%0.329SS*.Hα-helixtrans-56.3-31.8-177.8-166.2-168.714800112.6A14 R15 R20A14-E18 PolarHBondContact O-N 3.28Å; R15-E18 PolarHBondContact O-N 3.31Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 2.98Å
19V92.3Very high93.3Very high4 Ų460.6 Ų60.62%0.02434%0.337CS..G310 helixtrans-78.2-6.7-177.3-55.80000114.1L17 G21 S22 K26 V28 Y69 Y70 L73L17-V19 PolarHBondContact O-N 3.47Å; L17-V19 VanDerWaalsContact O-N 3.13Å; V19-G21 PolarHBondContact O-N 2.65Å; V19-S22 WeakPolarHBondContact O-CA 3.43Å; V19-S22 WeakPolarHBondContact O-CB 3.46Å; V19-S22 PolarHBondContact O-N 3.5Å; V19-K26 HydrophobicContact CB-CB 4.47Å; V19-K26 HydrophobicContact CB-CD 4.47Å; V19-K26 HydrophobicContact CG1-CB 4.33Å; V19-K26 HydrophobicContact CG1-CD 3.89Å; V19-K26 HydrophobicContact CG1-CG 4.02Å; V19-V28 HydrophobicContact CB-CG2 4.38Å; V19-V28 HydrophobicContact CG1-CG2 3.56Å; V19-V28 HydrophobicContact CG2-CG2 3.88Å; V19-Y69 HydrophobicContact CG2-CD1 4.35Å; V19-Y69 HydrophobicContact CG2-CE1 3.65Å; V19-Y70 WeakPolarHBondContact CB-OH 3.5Å; V19-Y70 VanDerWaalsContact O-CE1 3.27Å; V19-Y70 WeakPolarHBondContact O-CE1 3.3Å; V19-Y70 PolarHBondContact O-OH 3.18Å; V19-L73 HydrophobicContact CG2-CD1 4.36Å
20R87.5Confident93.3Very high107 Ų10759.8 Ų59.840%0.40433%0.332SS..G310 helixtrans-53.9-37179.9-175.3171.858.3160.4-8.4113.9L17 E18 S22 L73 E77L17-R20 WeakPolarHBondContact O-CB 3.46Å; L17-R20 PolarHBondContact O-N 2.9Å; L17-R20 VanDerWaalsContact O-N 3.08Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 2.98Å; R20-S22 VanDerWaalsContact C-N 3.35Å; R20-L73 HydrophobicContact CB-CD1 3.97Å; R20-L73 HydrophobicContact CG-CB 4.41Å; R20-L73 HydrophobicContact CG-CD1 4.41Å; R20-E77 WeakPolarHBondContact CD-OE1 3.28Å; R20-E77 WeakPolarHBondContact CG-OE1 3.2Å; R20-E77 IonicContact NE-OE1 3.99Å
21G82.7Confident93.3Very high83 Ų8359 Ų5986%0.85633%0.331SS*.G310 helixtrans-85.6-3.8175.900000114.6V19V19-G21 PolarHBondContact O-N 2.65Å
22S86.6Confident93.3Very high41 Ų4159.4 Ų59.429%0.28733%0.328SS..SBendtrans-88167.7-179.7-59.90000111.7V19 R20 Y70V19-S22 WeakPolarHBondContact O-CA 3.43Å; V19-S22 WeakPolarHBondContact O-CB 3.46Å; V19-S22 PolarHBondContact O-N 3.5Å; R20-S22 VanDerWaalsContact C-N 3.35Å; S22-Y70 WeakPolarHBondContact O-CE1 3.46Å
23R86Confident93.3Very high142 Ų14265.2 Ų65.254%0.53636%0.359SS..PPolyproline II helixtrans-60.9134.8169.7-173.3-179.8-176.7173.94.8109.8G25 K26 Y70 L304R23-G25 PolarHBondContact O-N 3.31Å; R23-K26 PolarHBondContact O-N 3.5Å; R23-Y70 PolarHBondContact O-OH 2.71Å; R23-Y70 VanDerWaalsContact O-OH 3.11Å; R23-L304 PolarHBondContact NH2-O 3.27Å; R23-L304 VanDerWaalsContact NH2-O 3.14Å
24P88.6Confident93.3Very high68 Ų6866.4 Ų66.444%0.44236%0.364SS..THydrogen-bonded Turntrans-47.1137.6172.8-31.937.7000113.6Y70 L304P24-Y70 VanDerWaalsContact CA-CZ 3.47Å; P24-Y70 HydrophobicContact CB-CD1 4.06Å; P24-Y70 HydrophobicContact CB-CD2 4.04Å; P24-Y70 HydrophobicContact CB-CE1 4.38Å; P24-Y70 HydrophobicContact CB-CE2 4.4Å; P24-Y70 HydrophobicContact CB-CG 3.87Å; P24-Y70 HydrophobicContact CG-CD1 3.83Å; P24-Y70 HydrophobicContact CG-CE1 4.26Å; P24-Y70 HydrophobicContact CG-CG 4.05Å; P24-L304 HydrophobicContact CB-CD2 4.44Å; P24-L304 HydrophobicContact CG-CD2 3.96Å
25G88.7Confident93.3Very high46 Ų4663.5 Ų63.547%0.47434%0.34SS..THydrogen-bonded Turntrans99.3-3.5-17800000115.6R23 N27 Q99R23-G25 PolarHBondContact O-N 3.31Å; G25-N27 PolarHBondContact O-N 3.45Å; G25-Q99 VanDerWaalsContact CA-OE1 3.28Å
26K92.4Very high93.4Very high100 Ų10061.5 Ų61.544%0.43533%0.333SS..  trans-67.4116.3170.6-173.6177.9173.6-169.90109.4V19 R23 Y70 Q99V19-K26 HydrophobicContact CB-CB 4.47Å; V19-K26 HydrophobicContact CB-CD 4.47Å; V19-K26 HydrophobicContact CG1-CB 4.33Å; V19-K26 HydrophobicContact CG1-CD 3.89Å; V19-K26 HydrophobicContact CG1-CG 4.02Å; R23-K26 PolarHBondContact O-N 3.5Å; K26-Y70 WeakPolarHBondContact CB-OH 3.49Å; K26-Y70 PolarHBondContact N-OH 2.88Å; K26-Q99 PolarHBondContact O-NE2 2.59Å
27N93.3Very high93.4Very high77 Ų7762 Ų6241%0.41234%0.339SS..  trans-69.8148.2174.6-68.8-20.4000110.9G25 E102G25-N27 PolarHBondContact O-N 3.45Å; N27-E102 WeakPolarHBondContact CA-OE1 3.29Å
28V95.1Very high93.5Very high9 Ų960.6 Ų60.66%0.05533%0.331CS..  trans-104.6128.7172.7-177.80000108.3R15 L16 V19 L30 E102 R143R15-V28 HydrophobicContact CB-CG1 4.1Å; R15-V28 WeakPolarHBondContact O-CG1 3.31Å; L16-V28 HydrophobicContact CD2-CB 4.03Å; L16-V28 HydrophobicContact CD2-CG1 4Å; L16-V28 HydrophobicContact CD2-CG2 4.28Å; L16-V28 HydrophobicContact CG-CG1 4.33Å; V19-V28 HydrophobicContact CB-CG2 4.38Å; V19-V28 HydrophobicContact CG1-CG2 3.56Å; V19-V28 HydrophobicContact CG2-CG2 3.88Å; V28-L30 HydrophobicContact CG1-CD2 4.46Å; V28-L30 PolarHBondContact O-N 3.11Å; V28-E102 HydrophobicContact CB-CG 3.98Å; V28-E102 HydrophobicContact CG2-CG 4.03Å; V28-E102 PolarHBondContact N-OE1 3.36Å; V28-R143 PolarHBondContact O-NH2 2.78Å
29Q92.9Very high93.7Very high136 Ų13654.3 Ų54.364%0.63630%0.302SS*.  trans-87.5108179-170.763.152.700110.2R15 Y144R15-Q29 PolarHBondContact NH1-O 3.43Å; Q29-Y144 PolarHBondContact NE2-OH 2.87Å
30L97.5Very high94Very high4 Ų461 Ų612%0.02133%0.327CS..  trans-105.1148.3163.2-58.4-179.7000108.9I12 L16 V28 I35 C105 Y144I12-L30 HydrophobicContact CG1-CD2 4.38Å; I12-L30 HydrophobicContact CG2-CD1 4.16Å; I12-L30 HydrophobicContact CG2-CD2 4.16Å; L16-L30 HydrophobicContact CD1-CD1 4.29Å; L16-L30 HydrophobicContact CD2-CD1 4.31Å; L16-L30 HydrophobicContact CG-CD1 4.43Å; V28-L30 HydrophobicContact CG1-CD2 4.46Å; V28-L30 PolarHBondContact O-N 3.11Å; L30-I35 HydrophobicContact CB-CD1 4.08Å; L30-I35 HydrophobicContact CB-CG1 3.81Å; L30-I35 HydrophobicContact CD1-CG1 4.21Å; L30-C105 HydrophobicContact CD1-CB 3.78Å; L30-Y144 WeakPolarHBondContact O-CE1 3.47Å; L30-Y144 PolarHBondContact O-OH 3.32Å
31T97.6Very high94.5Very high73 Ų7360.1 Ų60.145%0.44833%0.326SS..  trans-74.2155.6172.170.60000110.1N33 E34 I35T31-N33 PolarHBondContact O-N 3.11Å; T31-E34 PolarHBondContact N-OE2 2.63Å; T31-E34 PolarHBondContact O-N 3.04Å; T31-E34 WeakPolarHBondContact OG1-CB 3.09Å; T31-E34 WeakPolarHBondContact OG1-CG 3.15Å; T31-E34 PolarHBondContact OG1-N 3.49Å; T31-E34 VanDerWaalsContact OG1-N 3.14Å; T31-E34 PolarHBondContact OG1-OE2 2.89Å; T31-I35 WeakPolarHBondContact O-CG1 3.35Å; T31-I35 PolarHBondContact O-N 2.94Å; T31-I35 VanDerWaalsContact O-N 3.13Å
32E97.7Very high95.3Very high54 Ų5456.2 Ų56.225%0.25229%0.286SS..Hα-helixtrans-59.5-33.4176-173.2179.4161.100112.1K36 Y144 N145 L148E32-K36 HydrophobicContact CG-CD 4.27Å; E32-K36 WeakPolarHBondContact O-CB 3.42Å; E32-K36 VanDerWaalsContact O-CG 3.29Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; E32-K36 PolarHBondContact O-N 3.04Å; E32-K36 WeakPolarHBondContact OE1-CE 3.31Å; E32-K36 IonicContact OE1-NZ 2.99Å; E32-K36 PolarHBondContact OE1-NZ 3.17Å; E32-Y144 HydrophobicContact CB-CD1 4.33Å; E32-N145 PolarHBondContact OE1-ND2 3.21Å; E32-N145 VanDerWaalsContact OE1-ND2 3.08Å; E32-N145 PolarHBondContact OE2-ND2 3.08Å; E32-L148 HydrophobicContact CG-CD1 4.22Å
33N97.6Very high95.8Very high122 Ų12259.1 Ų59.165%0.65229%0.29SS*.Hα-helixtrans-69.2-39.1177.5-72.1-15.6000112.1T31 K36 G37T31-N33 PolarHBondContact O-N 3.11Å; N33-K36 PolarHBondContact O-N 3.14Å; N33-G37 PolarHBondContact O-N 2.87Å
34E98.3Very high96.4Very high37 Ų3758.4 Ų58.417%0.17329%0.293CS..Hα-helixtrans-61.2-47.8174.3-74.4168.414800110.9L7 I12 R15 T31 G37 L38L7-E34 HydrophobicContact CD1-CB 4.29Å; L7-E34 HydrophobicContact CD1-CG 4.36Å; I12-E34 HydrophobicContact CD1-CB 4.01Å; I12-E34 HydrophobicContact CD1-CG 4.2Å; R15-E34 IonicContact CZ-OE1 3.45Å; R15-E34 IonicContact CZ-OE2 3.76Å; R15-E34 IonicContact NH1-OE1 3.72Å; R15-E34 PolarHBondContact NH1-OE1 3.39Å; R15-E34 IonicContact NH1-OE2 3.11Å; R15-E34 PolarHBondContact NH1-OE2 3.39Å; R15-E34 VanDerWaalsContact NH1-OE2 3.11Å; R15-E34 VanDerWaalsContact NH2-CD 3.31Å; R15-E34 IonicContact NH2-OE1 2.65Å; R15-E34 PolarHBondContact NH2-OE1 3.38Å; R15-E34 IonicContact NH2-OE2 3.5Å; R15-E34 PolarHBondContact NH2-OE2 3.09Å; T31-E34 PolarHBondContact N-OE2 2.63Å; T31-E34 PolarHBondContact O-N 3.04Å; T31-E34 WeakPolarHBondContact OG1-CB 3.09Å; T31-E34 WeakPolarHBondContact OG1-CG 3.15Å; T31-E34 PolarHBondContact OG1-N 3.49Å; T31-E34 VanDerWaalsContact OG1-N 3.14Å; T31-E34 PolarHBondContact OG1-OE2 2.89Å; E34-G37 PolarHBondContact O-N 2.88Å; E34-L38 WeakPolarHBondContact O-CG 3.43Å; E34-L38 PolarHBondContact O-N 2.92Å
35I98.6Very high96.9Very high1 Ų156.5 Ų56.51%0.00528%0.279CS..Hα-helixtrans-64.3-44.2-179.8-59.3171.8000111.2L30 T31 G37 L38 C39 Y144 L148 F152L30-I35 HydrophobicContact CB-CD1 4.08Å; L30-I35 HydrophobicContact CB-CG1 3.81Å; L30-I35 HydrophobicContact CD1-CG1 4.21Å; T31-I35 WeakPolarHBondContact O-CG1 3.35Å; T31-I35 PolarHBondContact O-N 2.94Å; T31-I35 VanDerWaalsContact O-N 3.13Å; I35-G37 VanDerWaalsContact C-N 3.29Å; I35-G37 PolarHBondContact O-N 3.3Å; I35-L38 WeakPolarHBondContact O-CB 3.45Å; I35-L38 PolarHBondContact O-N 3.21Å; I35-C39 PolarHBondContact O-N 3.13Å; I35-C39 PolarHBondContact O-SG 2.71Å; I35-Y144 HydrophobicContact CD1-CD2 4.44Å; I35-Y144 HydrophobicContact CD1-CE1 3.89Å; I35-Y144 HydrophobicContact CD1-CE2 3.85Å; I35-L148 HydrophobicContact CB-CD1 4.07Å; I35-L148 HydrophobicContact CD1-CD2 3.97Å; I35-L148 HydrophobicContact CG2-CD1 3.72Å; I35-L148 HydrophobicContact CG2-CD2 4.22Å; I35-L148 HydrophobicContact CG2-CG 4.31Å; I35-F152 HydrophobicContact CG2-CE1 4.11Å; I35-F152 HydrophobicContact CG2-CE2 3.54Å; I35-F152 HydrophobicContact CG2-CZ 3.21Å
36K98.5Very high97.4Very high22 Ų2254.4 Ų54.410%0.09626%0.257CS..Hα-helixtrans-59.6-41.7173.7-76172.8179.1160.20111.9E32 N33 L38 C39 W40 L148 T151E32-K36 HydrophobicContact CG-CD 4.27Å; E32-K36 WeakPolarHBondContact O-CB 3.42Å; E32-K36 VanDerWaalsContact O-CG 3.29Å; E32-K36 WeakPolarHBondContact O-CG 3.49Å; E32-K36 PolarHBondContact O-N 3.04Å; E32-K36 WeakPolarHBondContact OE1-CE 3.31Å; E32-K36 IonicContact OE1-NZ 2.99Å; E32-K36 PolarHBondContact OE1-NZ 3.17Å; N33-K36 PolarHBondContact O-N 3.14Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.39Å; K36-C39 PolarHBondContact O-N 3.12Å; K36-W40 HydrophobicContact CB-CD2 4.42Å; K36-W40 HydrophobicContact CB-CE3 4.39Å; K36-W40 HydrophobicContact CB-CH2 4.14Å; K36-W40 HydrophobicContact CB-CZ2 4.16Å; K36-W40 HydrophobicContact CB-CZ3 4.25Å; K36-W40 HydrophobicContact CD-CH2 4.28Å; K36-W40 HydrophobicContact CD-CZ2 4.3Å; K36-W40 HydrophobicContact CG-CZ2 4.49Å; K36-W40 WeakPolarHBondContact O-CB 3.48Å; K36-W40 VanDerWaalsContact O-CG 3.25Å; K36-W40 PolarHBondContact O-N 2.89Å; K36-L148 HydrophobicContact CG-CD1 4.02Å; K36-T151 HydrophobicContact CG-CG2 4.18Å
37G98.3Very high97.7Very high12 Ų1252.7 Ų52.712%0.12425%0.252CS..Hα-helixtrans-59.7-41.717600000112.5L7 N33 E34 I35 K41L7-G37 VanDerWaalsContact CD2-C 3.42Å; N33-G37 PolarHBondContact O-N 2.87Å; E34-G37 PolarHBondContact O-N 2.88Å; I35-G37 VanDerWaalsContact C-N 3.29Å; I35-G37 PolarHBondContact O-N 3.3Å; G37-K41 WeakPolarHBondContact O-CB 3.41Å; G37-K41 PolarHBondContact O-N 2.78Å
38L98.8Very high97.9Very high0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-59-54.2172.5-66173.7000110.5L7 I9 I12 E34 I35 K36 W40 K41 S42 C105 L108 A109 I112L7-L38 HydrophobicContact CD2-CD2 4.28Å; I9-L38 HydrophobicContact CD1-CD2 3.57Å; I12-L38 HydrophobicContact CD1-CD2 4.16Å; I12-L38 HydrophobicContact CD1-CG 4.35Å; I12-L38 HydrophobicContact CG2-CD1 4.16Å; I12-L38 HydrophobicContact CG2-CD2 4.47Å; E34-L38 WeakPolarHBondContact O-CG 3.43Å; E34-L38 PolarHBondContact O-N 2.92Å; I35-L38 WeakPolarHBondContact O-CB 3.45Å; I35-L38 PolarHBondContact O-N 3.21Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.39Å; L38-W40 VanDerWaalsContact C-N 3.34Å; L38-W40 PolarHBondContact O-N 2.79Å; L38-K41 PolarHBondContact O-N 3.26Å; L38-S42 WeakPolarHBondContact O-CB 3.39Å; L38-S42 PolarHBondContact O-N 2.88Å; L38-S42 PolarHBondContact O-OG 3.16Å; L38-S42 VanDerWaalsContact O-OG 3.04Å; L38-C105 HydrophobicContact CD1-CB 3.82Å; L38-L108 HydrophobicContact CB-CB 4.35Å; L38-A109 HydrophobicContact CD2-CB 3.9Å; L38-I112 HydrophobicContact CB-CD1 4.32Å; L38-I112 HydrophobicContact CD2-CD1 3.71Å
39C98.8Very high98.1Very high2 Ų254 Ų541%0.01427%0.266CS..Hα-helixtrans-58-43.7-179.4-66.60000113I35 K36 R43 T151 F152 C155I35-C39 PolarHBondContact O-N 3.13Å; I35-C39 PolarHBondContact O-SG 2.71Å; K36-C39 PolarHBondContact O-N 3.12Å; C39-R43 VanDerWaalsContact O-CB 3.22Å; C39-R43 WeakPolarHBondContact O-CB 3.48Å; C39-R43 PolarHBondContact O-N 2.9Å; C39-T151 HydrophobicContact CB-CG2 3.69Å; C39-F152 WeakPolarHBondContact SG-CD1 3.34Å; C39-F152 WeakPolarHBondContact SG-CE1 3.47Å; C39-C155 HydrophobicContact CB-CB 4Å
40W98.3Very high98.3Very high144 Ų14451.1 Ų51.155%0.54526%0.259SS..Hα-helixtrans-67.2-46.5-178.9-66.7-25.4000112.4K36 L38 R43 E44K36-W40 HydrophobicContact CB-CD2 4.42Å; K36-W40 HydrophobicContact CB-CE3 4.39Å; K36-W40 HydrophobicContact CB-CH2 4.14Å; K36-W40 HydrophobicContact CB-CZ2 4.16Å; K36-W40 HydrophobicContact CB-CZ3 4.25Å; K36-W40 HydrophobicContact CD-CH2 4.28Å; K36-W40 HydrophobicContact CD-CZ2 4.3Å; K36-W40 HydrophobicContact CG-CZ2 4.49Å; K36-W40 WeakPolarHBondContact O-CB 3.48Å; K36-W40 VanDerWaalsContact O-CG 3.25Å; K36-W40 PolarHBondContact O-N 2.89Å; L38-W40 VanDerWaalsContact C-N 3.34Å; L38-W40 PolarHBondContact O-N 2.79Å; W40-R43 PolarHBondContact O-N 2.79Å; W40-E44 PolarHBondContact O-N 3.44Å; W40-E44 VanDerWaalsContact O-N 3.14Å
41K98.5Very high98.4Very high90 Ų9051.2 Ų51.239%0.39126%0.259SS..Hα-helixtrans-66.3-43.2177.3-77.3-173.2177.1-71.30112.4L7 G37 L38 R43 E44 I45 I112L7-K41 HydrophobicContact CD2-CD 3.79Å; G37-K41 WeakPolarHBondContact O-CB 3.41Å; G37-K41 PolarHBondContact O-N 2.78Å; L38-K41 PolarHBondContact O-N 3.26Å; K41-R43 VanDerWaalsContact C-N 3.3Å; K41-R43 PolarHBondContact O-N 3.19Å; K41-E44 PolarHBondContact O-N 3.37Å; K41-I45 WeakPolarHBondContact O-CG1 3.3Å; K41-I45 PolarHBondContact O-N 2.7Å; K41-I45 VanDerWaalsContact O-N 3.17Å; K41-I112 HydrophobicContact CB-CD1 3.74Å; K41-I112 HydrophobicContact CB-CG1 3.96Å; K41-I112 HydrophobicContact CB-CG2 4.45Å; K41-I112 HydrophobicContact CD-CG2 4.15Å
42S98.7Very high98.4Very high0 Ų047.8 Ų47.80%024%0.238CC..Hα-helixtrans-62.3-39.9176.5-62.80000111.6L38 E44 I45 F46 I112L38-S42 WeakPolarHBondContact O-CB 3.39Å; L38-S42 PolarHBondContact O-N 2.88Å; L38-S42 PolarHBondContact O-OG 3.16Å; L38-S42 VanDerWaalsContact O-OG 3.04Å; S42-E44 PolarHBondContact O-N 3.2Å; S42-I45 PolarHBondContact O-N 3.01Å; S42-F46 WeakPolarHBondContact O-CD2 3.34Å; S42-F46 WeakPolarHBondContact O-CG 3.25Å; S42-F46 PolarHBondContact O-N 3.05Å; S42-I112 WeakPolarHBondContact OG-CD1 3.48Å; S42-I112 WeakPolarHBondContact OG-CG1 3.46Å
43R98.5Very high98.5Very high103 Ų10345.4 Ų45.439%0.38923%0.227SC..Hα-helixtrans-57.8-45.7173.8165.3166.5169.9-96.4-3112.5C39 W40 K41 I45 F46 L47 C158C39-R43 VanDerWaalsContact O-CB 3.22Å; C39-R43 WeakPolarHBondContact O-CB 3.48Å; C39-R43 PolarHBondContact O-N 2.9Å; W40-R43 PolarHBondContact O-N 2.79Å; K41-R43 VanDerWaalsContact C-N 3.3Å; K41-R43 PolarHBondContact O-N 3.19Å; R43-I45 VanDerWaalsContact C-N 3.31Å; R43-I45 PolarHBondContact O-N 3.4Å; R43-F46 PolarHBondContact O-N 2.97Å; R43-L47 HydrophobicContact CG-CD1 3.79Å; R43-L47 HydrophobicContact CG-CG 4.38Å; R43-L47 WeakPolarHBondContact O-CB 3.38Å; R43-L47 VanDerWaalsContact O-CG 3.29Å; R43-L47 WeakPolarHBondContact O-CG 3.11Å; R43-L47 PolarHBondContact O-N 3.08Å; R43-C158 HydrophobicContact CG-CB 4.32Å; R43-C158 VanDerWaalsContact CG-SG 3.56Å
44E98.4Very high98.5Very high126 Ų12645.6 Ų45.659%0.58922%0.224SC*.Hα-helixtrans-56.9-46.8176.2-71.5172.1-178.300111.2W40 K41 S42 L47 S48W40-E44 PolarHBondContact O-N 3.44Å; W40-E44 VanDerWaalsContact O-N 3.14Å; K41-E44 PolarHBondContact O-N 3.37Å; S42-E44 PolarHBondContact O-N 3.2Å; E44-L47 PolarHBondContact O-N 3.43Å; E44-S48 PolarHBondContact O-N 3.46Å
45I98.7Very high98.6Very high29 Ų2944.5 Ų44.515%0.14922%0.219CC..Hα-helixtrans-64.9-45.9178.7-61.3164.5000111.4K41 S42 R43 L47 S48 Q49 I112 P115K41-I45 WeakPolarHBondContact O-CG1 3.3Å; K41-I45 PolarHBondContact O-N 2.7Å; K41-I45 VanDerWaalsContact O-N 3.17Å; S42-I45 PolarHBondContact O-N 3.01Å; R43-I45 VanDerWaalsContact C-N 3.31Å; R43-I45 PolarHBondContact O-N 3.4Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.24Å; I45-S48 PolarHBondContact O-N 3.26Å; I45-S48 PolarHBondContact O-OG 2.78Å; I45-Q49 WeakPolarHBondContact O-CG 3.38Å; I45-Q49 PolarHBondContact O-N 3.14Å; I45-Q49 VanDerWaalsContact O-N 3.08Å; I45-I112 HydrophobicContact CD1-CB 4.33Å; I45-I112 HydrophobicContact CD1-CG1 4.07Å; I45-P115 HydrophobicContact CD1-CB 4.47Å; I45-P115 HydrophobicContact CG2-CB 3.99Å
46F98.8Very high98.5Very high1 Ų151.9 Ų51.90%0.00425%0.254CS..Hα-helixtrans-64-36.1-179.3-62.3-44.4000112.5S42 R43 Q49 L108 K111 L120 C158 L159 R191S42-F46 WeakPolarHBondContact O-CD2 3.34Å; S42-F46 WeakPolarHBondContact O-CG 3.25Å; S42-F46 PolarHBondContact O-N 3.05Å; R43-F46 PolarHBondContact O-N 2.97Å; F46-Q49 VanDerWaalsContact O-O 3.09Å; F46-L108 HydrophobicContact CE2-CD2 3.94Å; F46-L108 HydrophobicContact CZ-CD2 3.9Å; F46-K111 HydrophobicContact CE1-CD 3.97Å; F46-K111 HydrophobicContact CE1-CG 3.67Å; F46-K111 HydrophobicContact CZ-CG 3.97Å; F46-L120 HydrophobicContact CE1-CB 4.31Å; F46-L120 HydrophobicContact CZ-CB 4.44Å; F46-L120 HydrophobicContact CZ-CD1 4.08Å; F46-C158 HydrophobicContact CB-CB 4.12Å; F46-C158 VanDerWaalsContact CB-O 3.27Å; F46-C158 WeakPolarHBondContact CB-O 3.49Å; F46-L159 HydrophobicContact CD1-CD2 4.25Å; F46-L159 HydrophobicContact CD2-CD2 4.04Å; F46-L159 HydrophobicContact CE1-CD2 3.78Å; F46-L159 HydrophobicContact CE2-CD2 3.56Å; F46-L159 HydrophobicContact CE2-CG 4.32Å; F46-L159 HydrophobicContact CG-CD2 4.38Å; F46-L159 HydrophobicContact CZ-CD2 3.43Å; F46-L159 VanDerWaalsContact CZ-CD2 3.43Å; F46-R191 VanDerWaalsContact O-CZ 3.29Å; F46-R191 PolarHBondContact O-NH1 3.07Å; F46-R191 PolarHBondContact O-NH2 3.32Å; F46-R191 VanDerWaalsContact O-NH2 3.1Å
47L98.6Very high98.5Very high65 Ų6551.6 Ų51.634%0.3426%0.255SS..Hα-helixtrans-75.3-25.2177.2-69.3174.5000112.7R43 E44 I45 C158 R191R43-L47 HydrophobicContact CG-CD1 3.79Å; R43-L47 HydrophobicContact CG-CG 4.38Å; R43-L47 WeakPolarHBondContact O-CB 3.38Å; R43-L47 VanDerWaalsContact O-CG 3.29Å; R43-L47 WeakPolarHBondContact O-CG 3.11Å; R43-L47 PolarHBondContact O-N 3.08Å; E44-L47 PolarHBondContact O-N 3.43Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.24Å; L47-C158 HydrophobicContact CD2-CB 3.99Å; L47-C158 HydrophobicContact CG-CB 4.02Å; L47-R191 HydrophobicContact CD2-CB 3.9Å
48S98.4Very high98.5Very high95 Ų9554 Ų5466%0.66427%0.269SS*.Hα-helixtrans-79-26173.972.20000113E44 I45E44-S48 PolarHBondContact O-N 3.46Å; I45-S48 PolarHBondContact O-N 3.26Å; I45-S48 PolarHBondContact O-OG 2.78Å
49Q98.4Very high98.5Very high19 Ų1954.2 Ų54.29%0.08927%0.27CS..SBendtrans-85.2153.5174.8-69.9-179.3-23.200110.8I45 F46 L53 P115 E116 R191I45-Q49 WeakPolarHBondContact O-CG 3.38Å; I45-Q49 PolarHBondContact O-N 3.14Å; I45-Q49 VanDerWaalsContact O-N 3.08Å; F46-Q49 VanDerWaalsContact O-O 3.09Å; Q49-L53 HydrophobicContact CB-CD2 4.1Å; Q49-P115 PolarHBondContact NE2-O 2.88Å; Q49-E116 PolarHBondContact NE2-OE1 3.28Å; Q49-R191 PolarHBondContact O-NH2 3.18Å
50P98.2Very high98.4Very high75 Ų7554.7 Ų54.749%0.48727%0.273SS..  trans-65.5158.8174.228.3-35000111.9L52 L53 R191P50-L52 VanDerWaalsContact C-N 3.32Å; P50-L52 WeakPolarHBondContact CB-O 3.37Å; P50-L52 VanDerWaalsContact CG-O 3.31Å; P50-L52 WeakPolarHBondContact CG-O 3.2Å; P50-L53 HydrophobicContact CG-CD2 4.47Å; P50-L53 WeakPolarHBondContact O-CD2 3.41Å; P50-R191 VanDerWaalsContact C-NH2 3.34Å
51I98.6Very high98.5Very high6 Ų647.9 Ų47.93%0.03125%0.247CC..SBendtrans-74.4-27.3177.9-165.1178.9000112.7P160 V161 I186 I189 R191I51-P160 WeakPolarHBondContact O-CA 3.4Å; I51-P160 WeakPolarHBondContact O-CB 3.44Å; I51-V161 HydrophobicContact CD1-CG1 3.92Å; I51-V161 HydrophobicContact CD1-CG2 4.03Å; I51-V161 HydrophobicContact CG1-CB 4.5Å; I51-V161 HydrophobicContact CG1-CG1 4.08Å; I51-V161 HydrophobicContact CG1-CG2 4.01Å; I51-V161 PolarHBondContact O-N 3.26Å; I51-I186 HydrophobicContact CG2-CG2 4.39Å; I51-I186 WeakPolarHBondContact CG2-O 3.42Å; I51-I189 HydrophobicContact CD1-CB 3.62Å; I51-I189 HydrophobicContact CD1-CG2 3.49Å; I51-I189 VanDerWaalsContact CD1-CG2 3.49Å; I51-R191 HydrophobicContact CD1-CG 3.81Å; I51-R191 HydrophobicContact CG1-CG 4.29Å
52L98.8Very high98.5Very high0 Ų043.6 Ų43.60%023%0.228CC..EExtended strand (participates in β ladder)trans-101.7108.7166.4176.863.1000106.7P50 A162 I164 F170 M183 I186 R187P50-L52 VanDerWaalsContact C-N 3.32Å; P50-L52 WeakPolarHBondContact CB-O 3.37Å; P50-L52 VanDerWaalsContact CG-O 3.31Å; P50-L52 WeakPolarHBondContact CG-O 3.2Å; L52-A162 WeakPolarHBondContact CA-O 3.36Å; L52-A162 HydrophobicContact CD1-CB 3.61Å; L52-I164 HydrophobicContact CD1-CD1 4.1Å; L52-I164 HydrophobicContact CD1-CG1 4.09Å; L52-I164 HydrophobicContact CD2-CD1 3.92Å; L52-I164 HydrophobicContact CG-CD1 4.28Å; L52-F170 HydrophobicContact CD1-CE2 4.42Å; L52-M183 HydrophobicContact CD2-CB 3.86Å; L52-M183 HydrophobicContact CD2-CG 4.4Å; L52-M183 HydrophobicContact CD2-SD 4.39Å; L52-I186 HydrophobicContact CB-CG2 4.01Å; L52-R187 HydrophobicContact CB-CG 4.14Å; L52-R187 HydrophobicContact CD2-CG 4.03Å
53L98.8Very high98.5Very high5 Ų543.6 Ų43.63%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-77.2142.3178.7-57.4176.3000110.2Q49 P50 L55 F119 L121 P160 A162 A163 I164Q49-L53 HydrophobicContact CB-CD2 4.1Å; P50-L53 HydrophobicContact CG-CD2 4.47Å; P50-L53 WeakPolarHBondContact O-CD2 3.41Å; L53-L55 HydrophobicContact CB-CD1 4.38Å; L53-L55 HydrophobicContact CB-CD2 3.93Å; L53-L55 HydrophobicContact CB-CG 4Å; L53-F119 HydrophobicContact CD1-CB 4.1Å; L53-F119 HydrophobicContact CD1-CD1 4.11Å; L53-F119 HydrophobicContact CD1-CG 4.45Å; L53-L121 HydrophobicContact CD1-CD2 3.98Å; L53-P160 HydrophobicContact CD1-CB 4.06Å; L53-P160 HydrophobicContact CD1-CG 4.09Å; L53-P160 HydrophobicContact CD2-CB 4.15Å; L53-P160 HydrophobicContact CD2-CG 3.93Å; L53-P160 HydrophobicContact CG-CB 3.85Å; L53-P160 HydrophobicContact CG-CG 4.08Å; L53-A162 PolarHBondContact N-O 2.57Å; L53-A163 HydrophobicContact CB-CB 3.89Å; L53-A163 CarbonylContact O-C 3.38Å; L53-A163 VanDerWaalsContact O-CA 3.23Å; L53-A163 WeakPolarHBondContact O-CA 3.47Å; L53-I164 PolarHBondContact O-N 3.13Å
54E98.6Very high98.5Very high126 Ų12638.7 Ų38.759%0.58921%0.21SC*.EExtended strand (participates in β ladder)trans-114.7114.5170.9-68174.3-161.900106.1R187E54-R187 IonicContact OE1-CZ 3.78Å; E54-R187 IonicContact OE1-NE 3.83Å; E54-R187 IonicContact OE1-NH2 3.23Å; E54-R187 PolarHBondContact OE1-NH2 2.96Å
55L98.6Very high98.5Very high14 Ų1432.9 Ų32.97%0.07318%0.182CC..EExtended strand (participates in β ladder)trans-125.8157.7-167.5-53.6-179000110.2L53 L59 L88 F119 A163 I164 I165 D166L53-L55 HydrophobicContact CB-CD1 4.38Å; L53-L55 HydrophobicContact CB-CD2 3.93Å; L53-L55 HydrophobicContact CB-CG 4Å; L55-L59 HydrophobicContact CB-CD1 3.9Å; L55-L59 HydrophobicContact CD1-CD1 4.27Å; L55-L88 HydrophobicContact CD1-CD1 4.03Å; L55-L88 HydrophobicContact CD1-CD2 4.19Å; L55-F119 HydrophobicContact CD1-CB 4.25Å; L55-F119 HydrophobicContact CD1-CD1 4.45Å; L55-F119 HydrophobicContact CD1-CD2 3.87Å; L55-F119 HydrophobicContact CD1-CE2 4.34Å; L55-F119 HydrophobicContact CD1-CG 3.93Å; L55-F119 HydrophobicContact CD2-CD1 3.63Å; L55-F119 HydrophobicContact CD2-CD2 3.99Å; L55-F119 HydrophobicContact CD2-CE1 3.43Å; L55-F119 VanDerWaalsContact CD2-CE1 3.43Å; L55-F119 HydrophobicContact CD2-CE2 3.8Å; L55-F119 HydrophobicContact CD2-CG 3.91Å; L55-F119 HydrophobicContact CD2-CZ 3.51Å; L55-A163 HydrophobicContact CD1-CB 3.86Å; L55-A163 HydrophobicContact CG-CB 4.35Å; L55-I164 PolarHBondContact N-O 3.31Å; L55-I165 HydrophobicContact CB-CG1 4.36Å; L55-I165 CarbonylContact O-C 3.56Å; L55-I165 WeakPolarHBondContact O-CA 3.33Å; L55-D166 PolarHBondContact O-N 3.23Å
56E98.1Very high98.4Very high155 Ų15531.6 Ų31.672%0.72418%0.176SC*.  trans-116142.2177.8-63.1176.7-17900109.6L59 D166E56-L59 WeakPolarHBondContact O-CD1 3.35Å; E56-L59 WeakPolarHBondContact O-CG 3.43Å; E56-D166 WeakPolarHBondContact CA-OD1 3.18Å
57A98Very high98.4Very high16 Ų1631.7 Ų31.713%0.13218%0.177CC..SBendtrans-64.8153.5166.900000110.9I165 D166 V285 D286 L289A57-I165 HydrophobicContact CB-CG2 4.38Å; A57-D166 WeakPolarHBondContact CB-OD2 3.27Å; A57-D166 PolarHBondContact N-OD2 3.01Å; A57-V285 HydrophobicContact CB-CG1 4.17Å; A57-D286 VanDerWaalsContact CB-O 3.24Å; A57-D286 WeakPolarHBondContact CB-O 3.44Å; A57-L289 HydrophobicContact CB-CD2 4.44Å
58P98Very high98.3Very high63 Ų6330 Ų3041%0.40917%0.167SC..  cis-90.7142.21133.9-28.4000112.8N86 V285 D287P58-N86 WeakPolarHBondContact O-CB 3.4Å; P58-N86 PolarHBondContact O-ND2 3.48Å; P58-V285 CarbonylContact C-O 3.5Å; P58-V285 WeakPolarHBondContact CA-O 3.31Å; P58-D287 WeakPolarHBondContact CD-OD1 3.36Å; P58-D287 WeakPolarHBondContact CG-OD1 3.21Å
59L98Very high98.2Very high5 Ų525.6 Ų25.63%0.02614%0.136CC..EExtended strand (participates in β ladder)trans-141.5140.7-176.8-71.4161.5000112L55 E56 L61 N86 F119 I165 S284 V285L55-L59 HydrophobicContact CB-CD1 3.9Å; L55-L59 HydrophobicContact CD1-CD1 4.27Å; E56-L59 WeakPolarHBondContact O-CD1 3.35Å; E56-L59 WeakPolarHBondContact O-CG 3.43Å; L59-L61 HydrophobicContact CB-CD1 3.95Å; L59-N86 HydrophobicContact CD2-CB 3.63Å; L59-F119 HydrophobicContact CD2-CD2 4.09Å; L59-F119 HydrophobicContact CD2-CE2 4.07Å; L59-I165 HydrophobicContact CD1-CB 4.47Å; L59-I165 HydrophobicContact CD1-CD1 3.77Å; L59-I165 HydrophobicContact CD1-CG1 3.82Å; L59-I165 HydrophobicContact CD1-CG2 3.86Å; L59-S284 WeakPolarHBondContact O-CA 3.44Å; L59-V285 PolarHBondContact N-O 3.27Å; L59-V285 PolarHBondContact O-N 3.07Å
60N98.6Very high98.1Very high12 Ų1225.8 Ų25.86%0.06414%0.136CC..EExtended strand (participates in β ladder)trans-95.4119.4165.1-72.7-41.5000110.1G79 S85 N86 Y87 L88 M282 M283 S284N60-G79 PolarHBondContact ND2-O 2.95Å; N60-S85 WeakPolarHBondContact ND2-CB 3.43Å; N60-N86 WeakPolarHBondContact CB-O 3.42Å; N60-N86 PolarHBondContact N-O 2.83Å; N60-Y87 HydrophobicContact CB-CD1 3.64Å; N60-Y87 HydrophobicContact CB-CE1 3.53Å; N60-Y87 HydrophobicContact CB-CG 4.28Å; N60-Y87 CarbonylContact O-C 3.45Å; N60-Y87 VanDerWaalsContact O-CA 3.3Å; N60-Y87 WeakPolarHBondContact O-CA 3.33Å; N60-L88 PolarHBondContact O-N 3.15Å; N60-M282 HydrophobicContact CB-CE 4.25Å; N60-M282 HydrophobicContact CB-CG 4.13Å; N60-M282 HydrophobicContact CB-SD 3.65Å; N60-M283 CarbonylContact C-O 3.44Å; N60-S284 WeakPolarHBondContact OD1-CB 3.4Å
61L98.8Very high98Very high0 Ų023.4 Ų23.40%012%0.119CC..EExtended strand (participates in β ladder)trans-97.8127.4178.6-71.874.1000110.7L59 L88 I165 C245 L266 M282 M283 V285L59-L61 HydrophobicContact CB-CD1 3.95Å; L61-L88 VanDerWaalsContact CA-O 3.28Å; L61-L88 WeakPolarHBondContact CA-O 3.23Å; L61-L88 HydrophobicContact CD2-CD2 4.18Å; L61-L88 HydrophobicContact CG-CB 4.24Å; L61-L88 HydrophobicContact CG-CD2 4.2Å; L61-I165 HydrophobicContact CD1-CD1 3.83Å; L61-I165 HydrophobicContact CD2-CD1 3.85Å; L61-I165 HydrophobicContact CG-CD1 4.23Å; L61-C245 HydrophobicContact CD2-CB 3.99Å; L61-C245 VanDerWaalsContact CD2-SG 3.56Å; L61-L266 HydrophobicContact CB-CD1 3.87Å; L61-M282 WeakPolarHBondContact O-CA 3.39Å; L61-M282 VanDerWaalsContact O-CG 3.32Å; L61-M282 WeakPolarHBondContact O-CG 3.36Å; L61-M283 HydrophobicContact CB-CB 4.41Å; L61-M283 HydrophobicContact CB-CE 4.45Å; L61-M283 HydrophobicContact CD1-CE 4.46Å; L61-M283 HydrophobicContact CD2-CE 3.76Å; L61-M283 HydrophobicContact CG-CE 4.45Å; L61-M283 PolarHBondContact N-O 3.02Å; L61-M283 PolarHBondContact O-N 3.16Å; L61-V285 HydrophobicContact CD1-CG2 3.83Å
62C98.8Very high97.9Very high0 Ų023.1 Ų23.10%012%0.118CC..EExtended strand (participates in β ladder)trans-121132.9179.8-62.50000110.2L88 F89 L90C62-L88 PolarHBondContact N-O 3.38Å; C62-F89 HydrophobicContact CB-CD1 3.44Å; C62-F89 VanDerWaalsContact CB-CD1 3.44Å; C62-F89 HydrophobicContact CB-CD2 4.48Å; C62-F89 HydrophobicContact CB-CE1 3.47Å; C62-F89 VanDerWaalsContact CB-CE1 3.47Å; C62-F89 HydrophobicContact CB-CE2 4.49Å; C62-F89 HydrophobicContact CB-CG 3.97Å; C62-F89 HydrophobicContact CB-CZ 4.02Å; C62-F89 WeakPolarHBondContact O-CA 3.41Å; C62-L90 WeakPolarHBondContact O-CG 3.38Å; C62-L90 PolarHBondContact O-N 3.43Å
63G98.6Very high97.9Very high0 Ų023.2 Ų23.20%012%0.118CC..  trans-83.5-147.717000000112.4S268G63-S268 PolarHBondContact N-OG 2.99Å
64D98.7Very high97.7Very high1 Ų125.8 Ų25.81%0.00513%0.128CC..BIsolated β-bridgetrans-59.7142-174.1-49.956.4000113H66 D92 H173 A247 H248 F267 S268 A269D64-H66 IonicContact OD2-NE2 3.8Å; D64-D92 HydrophobicContact CB-CB 4.13Å; D64-D92 WeakPolarHBondContact OD2-CB 3.49Å; D64-H173 IonicContact OD2-CE1 2.81Å; D64-A247 VanDerWaalsContact OD1-CB 3.32Å; D64-A247 WeakPolarHBondContact OD1-CB 3.41Å; D64-H248 PolarHBondContact OD1-N 3.03Å; D64-F267 HydrophobicContact CB-CD2 3.76Å; D64-F267 HydrophobicContact CB-CE2 3.38Å; D64-F267 HydrophobicContact CB-CZ 3.88Å; D64-F267 WeakPolarHBondContact OD1-CD2 3.41Å; D64-S268 CarbonylContact O-C 3.57Å; D64-S268 WeakPolarHBondContact O-CA 3.26Å; D64-S268 WeakPolarHBondContact O-CB 3.35Å; D64-S268 PolarHBondContact O-N 3.45Å; D64-A269 PolarHBondContact O-N 3.06Å; D64-A269 VanDerWaalsContact O-N 3.09Å
65I98.4Very high97.6Very high3 Ų320 Ų202%0.01510%0.101CC..  trans-121.4-37.3177.7-57-63.5000112G67 Q68 L72 L75 F89 D92 T103I65-G67 PolarHBondContact O-N 2.79Å; I65-Q68 WeakPolarHBondContact O-CB 3.49Å; I65-Q68 PolarHBondContact O-N 2.95Å; I65-L72 HydrophobicContact CD1-CD1 4.22Å; I65-L72 HydrophobicContact CG1-CD1 4.48Å; I65-L72 HydrophobicContact CG2-CB 3.97Å; I65-L75 HydrophobicContact CD1-CD1 3.45Å; I65-L75 VanDerWaalsContact CD1-CD1 3.45Å; I65-F89 HydrophobicContact CD1-CE1 4.16Å; I65-F89 HydrophobicContact CG1-CD1 4.23Å; I65-F89 HydrophobicContact CG1-CE1 4.12Å; I65-D92 PolarHBondContact N-O 2.87Å; I65-T103 HydrophobicContact CB-CG2 4.28Å; I65-T103 HydrophobicContact CG2-CG2 3.57Å
66H97.7Very high97.5Very high3 Ų319.3 Ų19.31%0.01410%0.097CC..THydrogen-bonded Turntrans48.350.4172.8-81.1-53.6000114.7D64 Q68 D92 V94 D95 R96 G97 H125 Y272D64-H66 IonicContact OD2-NE2 3.8Å; H66-Q68 PolarHBondContact O-N 3.18Å; H66-D92 IonicContact CE1-OD2 3.58Å; H66-D92 PolarHBondContact N-O 2.91Å; H66-D92 IonicContact NE2-OD2 3.51Å; H66-V94 PolarHBondContact ND1-O 2.85Å; H66-D95 CarbonylContact C-O 3.6Å; H66-D95 VanDerWaalsContact CA-O 3.32Å; H66-D95 WeakPolarHBondContact CA-O 3.46Å; H66-D95 WeakPolarHBondContact CB-O 3.4Å; H66-R96 HydrophobicContact CB-CB 4.14Å; H66-R96 HydrophobicContact CB-CG 4.43Å; H66-G97 WeakPolarHBondContact O-CA 3.46Å; H66-G97 PolarHBondContact O-N 2.89Å; H66-H125 AromaticContact CE1-CD2 3.52Å; H66-H125 AromaticContact CE1-CE1 3.84Å; H66-H125 AromaticContact CE1-CG 3.68Å; H66-H125 AromaticContact CE1-ND1 3.88Å; H66-H125 AromaticContact CE1-NE2 3.63Å; H66-Y272 HydrophobicContact CB-CE2 3.91Å; H66-Y272 AromaticContact CD2-CE2 3.31Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.37Å; H66-Y272 AromaticContact CD2-CZ 3.62Å; H66-Y272 PolarHBondContact CD2-OH 2.93Å; H66-Y272 VanDerWaalsContact CD2-OH 3.25Å; H66-Y272 AromaticContact CG-CE2 3.84Å; H66-Y272 AromaticContact NE2-CZ 3.92Å; H66-Y272 PolarHBondContact NE2-OH 3.06Å; H66-Y272 VanDerWaalsContact NE2-OH 3.11Å
67G97.4Very high97.4Very high2 Ų217 Ų172%0.0219%0.086CC..THydrogen-bonded Turntrans63.112.7177.600000115.4I65 Y69 Y93 Q99 T103I65-G67 PolarHBondContact O-N 2.79Å; G67-Y69 PolarHBondContact O-N 2.97Å; G67-Y93 PolarHBondContact N-O 2.86Å; G67-Q99 PolarHBondContact O-N 3.44Å; G67-T103 WeakPolarHBondContact CA-OG1 3.45Å
68Q96.6Very high97.2Very high31 Ų3119 Ų1915%0.14510%0.099CC..  trans-78.464.4171.1-69.9-172.4-130.100110.6I65 H66 Y70 D71 L72 P270I65-Q68 WeakPolarHBondContact O-CB 3.49Å; I65-Q68 PolarHBondContact O-N 2.95Å; H66-Q68 PolarHBondContact O-N 3.18Å; Q68-Y70 VanDerWaalsContact C-N 3.31Å; Q68-Y70 PolarHBondContact O-N 2.81Å; Q68-D71 HydrophobicContact CB-CB 4.17Å; Q68-D71 PolarHBondContact NE2-OD2 3.4Å; Q68-D71 WeakPolarHBondContact O-CA 3.48Å; Q68-D71 WeakPolarHBondContact O-CB 3.38Å; Q68-D71 PolarHBondContact O-N 3.33Å; Q68-L72 PolarHBondContact O-N 3.26Å; Q68-P270 PolarHBondContact NE2-O 2.96Å
69Y97.2Very high97.1Very high1 Ų116.3 Ų16.30%0.0048%0.082CC..Hα-helixtrans-55.9-40-168.4-177.3-121.8000114.5L16 V19 G67 D71 L72 L73 Q99 E102 L106L16-Y69 WeakPolarHBondContact CB-OH 3.49Å; L16-Y69 PolarHBondContact O-OH 2.97Å; V19-Y69 HydrophobicContact CG2-CD1 4.35Å; V19-Y69 HydrophobicContact CG2-CE1 3.65Å; G67-Y69 PolarHBondContact O-N 2.97Å; Y69-D71 VanDerWaalsContact C-N 3.3Å; Y69-D71 PolarHBondContact O-N 3.41Å; Y69-L72 HydrophobicContact CD2-CD2 4.32Å; Y69-L72 HydrophobicContact CE2-CD2 4.48Å; Y69-L72 WeakPolarHBondContact O-CB 3.47Å; Y69-L72 PolarHBondContact O-N 3.46Å; Y69-L73 HydrophobicContact CD1-CD1 4.29Å; Y69-L73 HydrophobicContact CE1-CD1 3.82Å; Y69-L73 HydrophobicContact CE1-CG 4.28Å; Y69-L73 HydrophobicContact CE2-CD2 4.23Å; Y69-L73 HydrophobicContact CE2-CG 4.41Å; Y69-L73 WeakPolarHBondContact O-CG 3.46Å; Y69-L73 PolarHBondContact O-N 3.48Å; Y69-Q99 HydrophobicContact CG-CB 4.47Å; Y69-E102 HydrophobicContact CD1-CB 3.71Å; Y69-E102 HydrophobicContact CD1-CG 4.23Å; Y69-E102 HydrophobicContact CD2-CB 3.71Å; Y69-E102 HydrophobicContact CE1-CB 3.85Å; Y69-E102 HydrophobicContact CE1-CG 4.25Å; Y69-E102 HydrophobicContact CE2-CB 3.85Å; Y69-E102 HydrophobicContact CG-CB 3.64Å; Y69-L106 HydrophobicContact CE2-CB 4.08Å; Y69-L106 HydrophobicContact CE2-CD2 3.72Å
70Y95.9Very high97.1Very high23 Ų2317.1 Ų17.19%0.099%0.092CC..Hα-helixtrans-69.7-29.6178.9-79.9-102.7000112.5V19 S22 R23 P24 K26 Q68 L73 R74 Q99V19-Y70 WeakPolarHBondContact CB-OH 3.5Å; V19-Y70 VanDerWaalsContact O-CE1 3.27Å; V19-Y70 WeakPolarHBondContact O-CE1 3.3Å; V19-Y70 PolarHBondContact O-OH 3.18Å; S22-Y70 WeakPolarHBondContact O-CE1 3.46Å; R23-Y70 PolarHBondContact O-OH 2.71Å; R23-Y70 VanDerWaalsContact O-OH 3.11Å; P24-Y70 VanDerWaalsContact CA-CZ 3.47Å; P24-Y70 HydrophobicContact CB-CD1 4.06Å; P24-Y70 HydrophobicContact CB-CD2 4.04Å; P24-Y70 HydrophobicContact CB-CE1 4.38Å; P24-Y70 HydrophobicContact CB-CE2 4.4Å; P24-Y70 HydrophobicContact CB-CG 3.87Å; P24-Y70 HydrophobicContact CG-CD1 3.83Å; P24-Y70 HydrophobicContact CG-CE1 4.26Å; P24-Y70 HydrophobicContact CG-CG 4.05Å; K26-Y70 WeakPolarHBondContact CB-OH 3.49Å; K26-Y70 PolarHBondContact N-OH 2.88Å; Q68-Y70 VanDerWaalsContact C-N 3.31Å; Q68-Y70 PolarHBondContact O-N 2.81Å; Y70-L73 PolarHBondContact O-N 3.16Å; Y70-R74 VanDerWaalsContact O-CG 3.31Å; Y70-R74 WeakPolarHBondContact O-CG 3.41Å; Y70-R74 PolarHBondContact O-N 2.82Å; Y70-R74 VanDerWaalsContact O-N 3.08Å; Y70-Q99 VanDerWaalsContact CE2-OE1 3.22Å
71D95.8Very high97Very high26 Ų2618.3 Ų18.314%0.13910%0.097CC..Hα-helixtrans-73.1-35.4172.8-62.4-54.9000110.9Q68 Y69 L73 R74 L75 P270 L296Q68-D71 HydrophobicContact CB-CB 4.17Å; Q68-D71 PolarHBondContact NE2-OD2 3.4Å; Q68-D71 WeakPolarHBondContact O-CA 3.48Å; Q68-D71 WeakPolarHBondContact O-CB 3.38Å; Q68-D71 PolarHBondContact O-N 3.33Å; Y69-D71 VanDerWaalsContact C-N 3.3Å; Y69-D71 PolarHBondContact O-N 3.41Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 2.68Å; D71-R74 WeakPolarHBondContact O-CB 3.06Å; D71-R74 PolarHBondContact O-N 3Å; D71-R74 VanDerWaalsContact O-N 3.16Å; D71-R74 IonicContact OD1-CZ 3.83Å; D71-R74 IonicContact OD1-NH1 3.44Å; D71-R74 PolarHBondContact OD1-NH1 3.14Å; D71-L75 WeakPolarHBondContact O-CG 3.32Å; D71-L75 PolarHBondContact O-N 3.1Å; D71-P270 HydrophobicContact CB-CG 3.99Å; D71-P270 WeakPolarHBondContact OD1-CG 3.23Å; D71-L296 HydrophobicContact CB-CD2 4.34Å
72L97.4Very high96.9Very high0 Ų018.7 Ų18.70%010%0.099CC..Hα-helixtrans-57.3-44.2168.1175.263.7000112I65 Q68 Y69 R74 L75 F76 F89 T103 L106 L107I65-L72 HydrophobicContact CD1-CD1 4.22Å; I65-L72 HydrophobicContact CG1-CD1 4.48Å; I65-L72 HydrophobicContact CG2-CB 3.97Å; Q68-L72 PolarHBondContact O-N 3.26Å; Y69-L72 HydrophobicContact CD2-CD2 4.32Å; Y69-L72 HydrophobicContact CE2-CD2 4.48Å; Y69-L72 WeakPolarHBondContact O-CB 3.47Å; Y69-L72 PolarHBondContact O-N 3.46Å; L72-R74 VanDerWaalsContact C-N 3.31Å; L72-R74 PolarHBondContact O-N 2.89Å; L72-L75 WeakPolarHBondContact O-CB 3.21Å; L72-L75 PolarHBondContact O-N 2.83Å; L72-F76 HydrophobicContact CD1-CD2 4.32Å; L72-F76 HydrophobicContact CD1-CE1 4.47Å; L72-F76 HydrophobicContact CD1-CE2 3.59Å; L72-F76 HydrophobicContact CD1-CZ 3.68Å; L72-F76 HydrophobicContact CD2-CE2 4.15Å; L72-F76 HydrophobicContact CG-CD2 4.26Å; L72-F76 HydrophobicContact CG-CE2 3.65Å; L72-F76 HydrophobicContact CG-CZ 4.24Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 PolarHBondContact O-N 3.26Å; L72-F89 HydrophobicContact CD1-CE1 3.59Å; L72-F89 HydrophobicContact CD1-CZ 3.67Å; L72-T103 HydrophobicContact CD2-CG2 3.95Å; L72-L106 HydrophobicContact CD2-CD2 4.29Å; L72-L107 HydrophobicContact CD1-CD2 4.19Å; L72-L107 HydrophobicContact CD2-CD2 4.05Å; L72-L107 HydrophobicContact CD2-CG 4.2Å
73L97Very high96.8Very high2 Ų221.8 Ų21.81%0.0112%0.119CC..Hα-helixtrans-62.1-40.2176.1-63.7179.4000111.8L17 V19 R20 Y69 Y70 D71 L75 F76 E77 L106L17-L73 HydrophobicContact CD2-CD2 3.63Å; V19-L73 HydrophobicContact CG2-CD1 4.36Å; R20-L73 HydrophobicContact CB-CD1 3.97Å; R20-L73 HydrophobicContact CG-CB 4.41Å; R20-L73 HydrophobicContact CG-CD1 4.41Å; Y69-L73 HydrophobicContact CD1-CD1 4.29Å; Y69-L73 HydrophobicContact CE1-CD1 3.82Å; Y69-L73 HydrophobicContact CE1-CG 4.28Å; Y69-L73 HydrophobicContact CE2-CD2 4.23Å; Y69-L73 HydrophobicContact CE2-CG 4.41Å; Y69-L73 WeakPolarHBondContact O-CG 3.46Å; Y69-L73 PolarHBondContact O-N 3.48Å; Y70-L73 PolarHBondContact O-N 3.16Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 2.68Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L73-L75 PolarHBondContact O-N 3.38Å; L73-F76 PolarHBondContact O-N 2.79Å; L73-E77 WeakPolarHBondContact O-CG 3.43Å; L73-E77 PolarHBondContact O-N 2.88Å; L73-L106 HydrophobicContact CD2-CD2 3.78Å
74R95.3Very high96.7Very high59 Ų5928.7 Ų28.722%0.22315%0.151CC..Hα-helixtrans-65.1-34.2174.9-68.3167.866.3-150.80.3112.5Y70 D71 L72 F76 E77 C78 L296 K297Y70-R74 VanDerWaalsContact O-CG 3.31Å; Y70-R74 WeakPolarHBondContact O-CG 3.41Å; Y70-R74 PolarHBondContact O-N 2.82Å; Y70-R74 VanDerWaalsContact O-N 3.08Å; D71-R74 WeakPolarHBondContact O-CB 3.06Å; D71-R74 PolarHBondContact O-N 3Å; D71-R74 VanDerWaalsContact O-N 3.16Å; D71-R74 IonicContact OD1-CZ 3.83Å; D71-R74 IonicContact OD1-NH1 3.44Å; D71-R74 PolarHBondContact OD1-NH1 3.14Å; L72-R74 VanDerWaalsContact C-N 3.31Å; L72-R74 PolarHBondContact O-N 2.89Å; R74-F76 VanDerWaalsContact C-N 3.33Å; R74-E77 PolarHBondContact O-N 2.92Å; R74-C78 WeakPolarHBondContact O-CB 3.47Å; R74-C78 PolarHBondContact O-N 3.3Å; R74-L296 HydrophobicContact CB-CD1 3.98Å; R74-L296 HydrophobicContact CB-CD2 4.01Å; R74-L296 VanDerWaalsContact NH2-CD1 3.28Å; R74-K297 PolarHBondContact NH1-O 3.12Å; R74-K297 PolarHBondContact NH2-O 2.92Å
75L96.7Very high96.6Very high4 Ų429.9 Ų29.92%0.02116%0.16CC..Hα-helixtrans-61.4-43173.2-71.2170.1000111.1I65 D71 L72 L73 C78 G79 M282 L296I65-L75 HydrophobicContact CD1-CD1 3.45Å; I65-L75 VanDerWaalsContact CD1-CD1 3.45Å; D71-L75 WeakPolarHBondContact O-CG 3.32Å; D71-L75 PolarHBondContact O-N 3.1Å; L72-L75 WeakPolarHBondContact O-CB 3.21Å; L72-L75 PolarHBondContact O-N 2.83Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L73-L75 PolarHBondContact O-N 3.38Å; L75-C78 PolarHBondContact O-N 3.21Å; L75-G79 PolarHBondContact O-N 3.44Å; L75-M282 HydrophobicContact CD2-CB 4.31Å; L75-L296 HydrophobicContact CD2-CD2 4.05Å; L75-L296 HydrophobicContact CG-CD2 4.17Å
76F97.3Very high96.6Very high0 Ų031.5 Ų31.50%017%0.169CC..Hα-helixtrans-68.3-35.6174.8-63.6-47.9000113L72 L73 R74 C78 G80 F81 Y87 F89 L106 L107 Y110 F118L72-F76 HydrophobicContact CD1-CD2 4.32Å; L72-F76 HydrophobicContact CD1-CE1 4.47Å; L72-F76 HydrophobicContact CD1-CE2 3.59Å; L72-F76 HydrophobicContact CD1-CZ 3.68Å; L72-F76 HydrophobicContact CD2-CE2 4.15Å; L72-F76 HydrophobicContact CG-CD2 4.26Å; L72-F76 HydrophobicContact CG-CE2 3.65Å; L72-F76 HydrophobicContact CG-CZ 4.24Å; L72-F76 WeakPolarHBondContact O-CD2 3.38Å; L72-F76 PolarHBondContact O-N 3.26Å; L73-F76 PolarHBondContact O-N 2.79Å; R74-F76 VanDerWaalsContact C-N 3.33Å; F76-C78 VanDerWaalsContact C-N 3.26Å; F76-C78 PolarHBondContact O-N 3.36Å; F76-G80 CarbonylContact O-C 3.27Å; F76-G80 VanDerWaalsContact O-C 3.25Å; F76-G80 WeakPolarHBondContact O-CA 3.44Å; F76-G80 PolarHBondContact O-N 2.97Å; F76-F81 HydrophobicContact CB-CD1 3.73Å; F76-F81 HydrophobicContact CB-CD2 4.28Å; F76-F81 HydrophobicContact CB-CE1 3.43Å; F76-F81 VanDerWaalsContact CB-CE1 3.43Å; F76-F81 HydrophobicContact CB-CE2 4.01Å; F76-F81 HydrophobicContact CB-CG 4.15Å; F76-F81 HydrophobicContact CB-CZ 3.57Å; F76-F81 HydrophobicContact CD2-CE1 4.26Å; F76-F81 HydrophobicContact CG-CD1 4.3Å; F76-F81 HydrophobicContact CG-CE1 4.16Å; F76-Y87 HydrophobicContact CD1-CE1 4.06Å; F76-Y87 HydrophobicContact CD1-CE2 4.01Å; F76-Y87 AromaticContact CD1-CZ 3.68Å; F76-Y87 HydrophobicContact CE1-CD1 4.25Å; F76-Y87 HydrophobicContact CE1-CD2 4.36Å; F76-Y87 HydrophobicContact CE1-CE1 4.03Å; F76-Y87 HydrophobicContact CE1-CE2 4.15Å; F76-Y87 HydrophobicContact CE1-CG 4.41Å; F76-Y87 AromaticContact CE1-CZ 3.98Å; F76-F89 HydrophobicContact CE1-CE2 4.08Å; F76-F89 AromaticContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CZ-CE2 4.18Å; F76-F89 AromaticContact CZ-CZ 3.78Å; F76-F89 HydrophobicContact CZ-CZ 3.78Å; F76-L106 HydrophobicContact CD2-CD2 4.37Å; F76-L106 HydrophobicContact CE2-CD2 3.86Å; F76-L106 HydrophobicContact CE2-CG 4.48Å; F76-L107 HydrophobicContact CZ-CD2 4.27Å; F76-Y110 HydrophobicContact CD2-CE2 4.33Å; F76-Y110 HydrophobicContact CE2-CD2 4.33Å; F76-Y110 AromaticContact CE2-CE2 3.84Å; F76-Y110 HydrophobicContact CE2-CE2 3.84Å; F76-Y110 HydrophobicContact CZ-CD2 4.14Å; F76-Y110 HydrophobicContact CZ-CE2 4.03Å; F76-F118 AromaticContact CE1-CE2 3.95Å; F76-F118 HydrophobicContact CE1-CE2 3.95Å; F76-F118 HydrophobicContact CE1-CZ 4.32Å; F76-F118 HydrophobicContact CZ-CE2 4.05Å; F76-F118 HydrophobicContact CZ-CZ 4.02Å
77E95.1Very high96.6Very high105 Ų10531.4 Ų31.449%0.49117%0.168SC..Hα-helixtrans-61.5-35.2172.3-69.9173.6163.300112.5R20 L73 R74 F81R20-E77 WeakPolarHBondContact CD-OE1 3.28Å; R20-E77 WeakPolarHBondContact CG-OE1 3.2Å; R20-E77 IonicContact NE-OE1 3.99Å; L73-E77 WeakPolarHBondContact O-CG 3.43Å; L73-E77 PolarHBondContact O-N 2.88Å; R74-E77 PolarHBondContact O-N 2.92Å; E77-F81 HydrophobicContact CG-CE2 4.1Å; E77-F81 HydrophobicContact CG-CZ 4.17Å
78C94.2Very high96.7Very high59 Ų5931.3 Ų31.340%0.39917%0.167SC..Hα-helixtrans-83.9-36.1179.9-1710000113R74 L75 F76 K294R74-C78 WeakPolarHBondContact O-CB 3.47Å; R74-C78 PolarHBondContact O-N 3.3Å; L75-C78 PolarHBondContact O-N 3.21Å; F76-C78 VanDerWaalsContact C-N 3.26Å; F76-C78 PolarHBondContact O-N 3.36Å; C78-K294 PolarHBondContact O-NZ 3.21Å
79G95.9Very high96.8Very high6 Ų629.8 Ų29.86%0.06216%0.16CC..Hα-helixtrans-88.7-27.7-174.500000114.8N60 L75 S85 Y87N60-G79 PolarHBondContact ND2-O 2.95Å; L75-G79 PolarHBondContact O-N 3.44Å; G79-S85 PolarHBondContact O-OG 3.28Å; G79-S85 VanDerWaalsContact O-OG 3.04Å; G79-Y87 VanDerWaalsContact C-OH 3.31Å; G79-Y87 VanDerWaalsContact CA-OH 3.3Å; G79-Y87 WeakPolarHBondContact CA-OH 3.41Å
80G96.8Very high96.9Very high22 Ų2229.8 Ų29.823%0.22716%0.16CC..  trans106.2139.7-166.200000110.6F76 Y87F76-G80 CarbonylContact O-C 3.27Å; F76-G80 VanDerWaalsContact O-C 3.25Å; F76-G80 WeakPolarHBondContact O-CA 3.44Å; F76-G80 PolarHBondContact O-N 2.97Å; G80-Y87 VanDerWaalsContact O-CE2 3.25Å; G80-Y87 WeakPolarHBondContact O-CE2 3.47Å; G80-Y87 PolarHBondContact O-OH 2.91Å
81F97.1Very high97Very high37 Ų3728.7 Ų28.716%0.16216%0.156CC..  trans-76.1157.5174.8-76.5-94.2000110.1L17 F76 E77 E84 S85 Y110L17-F81 HydrophobicContact CD1-CD1 4.38Å; L17-F81 HydrophobicContact CD1-CE1 4.33Å; L17-F81 HydrophobicContact CD2-CD1 4.43Å; L17-F81 HydrophobicContact CD2-CE1 3.77Å; F76-F81 HydrophobicContact CB-CD1 3.73Å; F76-F81 HydrophobicContact CB-CD2 4.28Å; F76-F81 HydrophobicContact CB-CE1 3.43Å; F76-F81 VanDerWaalsContact CB-CE1 3.43Å; F76-F81 HydrophobicContact CB-CE2 4.01Å; F76-F81 HydrophobicContact CB-CG 4.15Å; F76-F81 HydrophobicContact CB-CZ 3.57Å; F76-F81 HydrophobicContact CD2-CE1 4.26Å; F76-F81 HydrophobicContact CG-CD1 4.3Å; F76-F81 HydrophobicContact CG-CE1 4.16Å; E77-F81 HydrophobicContact CG-CE2 4.1Å; E77-F81 HydrophobicContact CG-CZ 4.17Å; F81-E84 VanDerWaalsContact C-OE2 3.28Å; F81-E84 CarbonylContact O-C 3.06Å; F81-E84 WeakPolarHBondContact O-CA 3.46Å; F81-E84 WeakPolarHBondContact O-CB 3.43Å; F81-E84 PolarHBondContact O-N 3.35Å; F81-S85 PolarHBondContact O-N 2.94Å; F81-S85 VanDerWaalsContact O-N 3.08Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.35Å
82P97.3Very high97.2Very high8 Ų827.5 Ų27.55%0.05215%0.15CC..THydrogen-bonded Turntrans-71133.7165.4-22.534.8000110.9Y87 Y110 Y114 F118P82-Y87 HydrophobicContact CG-CD2 3.99Å; P82-Y87 HydrophobicContact CG-CE2 4.19Å; P82-Y110 HydrophobicContact CB-CD1 4.01Å; P82-Y110 HydrophobicContact CB-CE1 4.22Å; P82-Y110 HydrophobicContact CB-CG 4.44Å; P82-Y110 HydrophobicContact CG-CD1 4.04Å; P82-Y110 HydrophobicContact CG-CD2 4.19Å; P82-Y110 HydrophobicContact CG-CE1 4.18Å; P82-Y110 HydrophobicContact CG-CE2 4.31Å; P82-Y110 HydrophobicContact CG-CG 4.07Å; P82-Y114 HydrophobicContact CB-CD2 3.53Å; P82-Y114 HydrophobicContact CB-CE2 3.6Å; P82-Y114 WeakPolarHBondContact O-CE2 3.08Å; P82-Y114 PolarHBondContact O-OH 2.8Å; P82-F118 HydrophobicContact CB-CD2 4.32Å; P82-F118 HydrophobicContact CG-CD2 3.62Å; P82-F118 HydrophobicContact CG-CE2 3.73Å
83P95.7Very high97.2Very high66 Ų6627.5 Ų27.543%0.42915%0.15SC..THydrogen-bonded Turncis-100.48.514.237.6-27.6000113.9S85 Y114P83-S85 PolarHBondContact O-N 2.87Å; P83-S85 VanDerWaalsContact O-N 3.14Å; P83-Y114 HydrophobicContact CB-CD1 3.94Å; P83-Y114 HydrophobicContact CB-CE1 3.69Å; P83-Y114 HydrophobicContact CB-CE2 4.46Å; P83-Y114 HydrophobicContact CB-CG 4.44Å; P83-Y114 WeakPolarHBondContact CD-OH 3.3Å; P83-Y114 HydrophobicContact CG-CE1 3.82Å
84E96.1Very high97.3Very high144 Ų14427.4 Ų27.467%0.67315%0.149SC*.THydrogen-bonded Turntrans-62.6-17.4176.8-60.28717900112.9F81F81-E84 VanDerWaalsContact C-OE2 3.28Å; F81-E84 CarbonylContact O-C 3.06Å; F81-E84 WeakPolarHBondContact O-CA 3.46Å; F81-E84 WeakPolarHBondContact O-CB 3.43Å; F81-E84 PolarHBondContact O-N 3.35Å
85S97.3Very high97.4Very high27 Ų2724.6 Ų24.619%0.18914%0.138CC..SBendtrans-144.2142.1173.7-65.40000111.9N60 G79 F81 P83 Y87N60-S85 WeakPolarHBondContact ND2-CB 3.43Å; G79-S85 PolarHBondContact O-OG 3.28Å; G79-S85 VanDerWaalsContact O-OG 3.04Å; F81-S85 PolarHBondContact O-N 2.94Å; F81-S85 VanDerWaalsContact O-N 3.08Å; P83-S85 PolarHBondContact O-N 2.87Å; P83-S85 VanDerWaalsContact O-N 3.14Å; S85-Y87 WeakPolarHBondContact O-CD2 3.32Å
86N98.4Very high97.3Very high37 Ų3726.8 Ų26.820%0.19815%0.147CC..  trans-87.3149.1174.9-53.5-37.4000110.3P58 L59 N60 N117P58-N86 WeakPolarHBondContact O-CB 3.4Å; P58-N86 PolarHBondContact O-ND2 3.48Å; L59-N86 HydrophobicContact CD2-CB 3.63Å; N60-N86 WeakPolarHBondContact CB-O 3.42Å; N60-N86 PolarHBondContact N-O 2.83Å; N86-N117 CarbonylContact C-O 3.58Å; N86-N117 WeakPolarHBondContact CA-O 3.45Å; N86-N117 WeakPolarHBondContact CB-O 3.26Å; N86-N117 VanDerWaalsContact OD1-CB 3.28Å; N86-N117 WeakPolarHBondContact OD1-CB 3.35Å; N86-N117 PolarHBondContact OD1-ND2 3.01Å
87Y98.8Very high97.2Very high0 Ų027.9 Ų27.90%016%0.158CC..EExtended strand (participates in β ladder)trans-136141.1-173.7-78.8-89.2000113N60 F76 G79 G80 P82 S85 F89 N117 F118 F119 M282N60-Y87 HydrophobicContact CB-CD1 3.64Å; N60-Y87 HydrophobicContact CB-CE1 3.53Å; N60-Y87 HydrophobicContact CB-CG 4.28Å; N60-Y87 CarbonylContact O-C 3.45Å; N60-Y87 VanDerWaalsContact O-CA 3.3Å; N60-Y87 WeakPolarHBondContact O-CA 3.33Å; F76-Y87 HydrophobicContact CD1-CE1 4.06Å; F76-Y87 HydrophobicContact CD1-CE2 4.01Å; F76-Y87 AromaticContact CD1-CZ 3.68Å; F76-Y87 HydrophobicContact CE1-CD1 4.25Å; F76-Y87 HydrophobicContact CE1-CD2 4.36Å; F76-Y87 HydrophobicContact CE1-CE1 4.03Å; F76-Y87 HydrophobicContact CE1-CE2 4.15Å; F76-Y87 HydrophobicContact CE1-CG 4.41Å; F76-Y87 AromaticContact CE1-CZ 3.98Å; G79-Y87 VanDerWaalsContact C-OH 3.31Å; G79-Y87 VanDerWaalsContact CA-OH 3.3Å; G79-Y87 WeakPolarHBondContact CA-OH 3.41Å; G80-Y87 VanDerWaalsContact O-CE2 3.25Å; G80-Y87 WeakPolarHBondContact O-CE2 3.47Å; G80-Y87 PolarHBondContact O-OH 2.91Å; P82-Y87 HydrophobicContact CG-CD2 3.99Å; P82-Y87 HydrophobicContact CG-CE2 4.19Å; S85-Y87 WeakPolarHBondContact O-CD2 3.32Å; Y87-F89 AromaticContact CD1-CE2 3.78Å; Y87-F89 HydrophobicContact CD1-CE2 3.78Å; Y87-F89 HydrophobicContact CD1-CZ 4.24Å; Y87-F89 HydrophobicContact CG-CE2 4.05Å; Y87-N117 PolarHBondContact N-O 2.9Å; Y87-F118 HydrophobicContact CD2-CD2 4.17Å; Y87-F118 HydrophobicContact CD2-CE2 4.07Å; Y87-F118 HydrophobicContact CG-CD2 4.23Å; Y87-F118 AromaticContact CG-CE2 3.97Å; Y87-F118 HydrophobicContact CG-CE2 3.97Å; Y87-F119 WeakPolarHBondContact O-CD2 3.46Å; Y87-F119 PolarHBondContact O-N 2.96Å; Y87-M282 HydrophobicContact CE1-SD 3.76Å
88L98.9Very high97.1Very high0 Ų031.6 Ų31.60%017%0.172CC..EExtended strand (participates in β ladder)trans-123.1113.3163.3174.466.5000108.8L55 N60 L61 C62 L90 F119 L121 A163 I165 C171L55-L88 HydrophobicContact CD1-CD1 4.03Å; L55-L88 HydrophobicContact CD1-CD2 4.19Å; N60-L88 PolarHBondContact O-N 3.15Å; L61-L88 VanDerWaalsContact CA-O 3.28Å; L61-L88 WeakPolarHBondContact CA-O 3.23Å; L61-L88 HydrophobicContact CD2-CD2 4.18Å; L61-L88 HydrophobicContact CG-CB 4.24Å; L61-L88 HydrophobicContact CG-CD2 4.2Å; C62-L88 PolarHBondContact N-O 3.38Å; L88-L90 HydrophobicContact CD2-CD2 4.11Å; L88-L90 HydrophobicContact CG-CD2 4.18Å; L88-F119 WeakPolarHBondContact CA-O 3.43Å; L88-F119 HydrophobicContact CB-CB 4.49Å; L88-F119 HydrophobicContact CD1-CB 3.64Å; L88-L121 HydrophobicContact CD1-CD1 4.2Å; L88-L121 HydrophobicContact CD1-CD2 4.18Å; L88-L121 HydrophobicContact CD1-CG 3.81Å; L88-A163 HydrophobicContact CD1-CB 4.25Å; L88-A163 HydrophobicContact CD2-CB 3.94Å; L88-I165 HydrophobicContact CD2-CD1 4.13Å; L88-C171 HydrophobicContact CD2-CB 3.84Å
89F98.9Very high97.2Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-94.3136.5170.5-73-103.9000110.5C62 I65 L72 F76 Y87 Y93 L107 F118 F119 L120 L121C62-F89 HydrophobicContact CB-CD1 3.44Å; C62-F89 VanDerWaalsContact CB-CD1 3.44Å; C62-F89 HydrophobicContact CB-CD2 4.48Å; C62-F89 HydrophobicContact CB-CE1 3.47Å; C62-F89 VanDerWaalsContact CB-CE1 3.47Å; C62-F89 HydrophobicContact CB-CE2 4.49Å; C62-F89 HydrophobicContact CB-CG 3.97Å; C62-F89 HydrophobicContact CB-CZ 4.02Å; C62-F89 WeakPolarHBondContact O-CA 3.41Å; I65-F89 HydrophobicContact CD1-CE1 4.16Å; I65-F89 HydrophobicContact CG1-CD1 4.23Å; I65-F89 HydrophobicContact CG1-CE1 4.12Å; L72-F89 HydrophobicContact CD1-CE1 3.59Å; L72-F89 HydrophobicContact CD1-CZ 3.67Å; F76-F89 HydrophobicContact CE1-CE2 4.08Å; F76-F89 AromaticContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CE1-CZ 3.82Å; F76-F89 HydrophobicContact CZ-CE2 4.18Å; F76-F89 AromaticContact CZ-CZ 3.78Å; F76-F89 HydrophobicContact CZ-CZ 3.78Å; Y87-F89 AromaticContact CD1-CE2 3.78Å; Y87-F89 HydrophobicContact CD1-CE2 3.78Å; Y87-F89 HydrophobicContact CD1-CZ 4.24Å; Y87-F89 HydrophobicContact CG-CE2 4.05Å; F89-Y93 HydrophobicContact CB-CE1 3.64Å; F89-Y93 HydrophobicContact CD1-CE1 4.37Å; F89-Y93 HydrophobicContact CG-CE1 4.38Å; F89-Y93 PolarHBondContact O-OH 3.5Å; F89-L107 HydrophobicContact CD1-CD2 4.21Å; F89-L107 HydrophobicContact CD2-CD2 4.14Å; F89-L107 HydrophobicContact CE1-CD2 3.94Å; F89-L107 HydrophobicContact CE2-CD2 3.86Å; F89-L107 HydrophobicContact CG-CD2 4.33Å; F89-L107 HydrophobicContact CZ-CD2 3.76Å; F89-F118 HydrophobicContact CD2-CE1 4.19Å; F89-F118 HydrophobicContact CD2-CE2 4.44Å; F89-F118 AromaticContact CD2-CZ 3.83Å; F89-F118 HydrophobicContact CD2-CZ 3.83Å; F89-F118 HydrophobicContact CE2-CE1 4.2Å; F89-F118 AromaticContact CE2-CE2 3.8Å; F89-F118 HydrophobicContact CE2-CE2 3.8Å; F89-F118 AromaticContact CE2-CZ 3.38Å; F89-F118 HydrophobicContact CE2-CZ 3.38Å; F89-F118 HydrophobicContact CZ-CZ 4.28Å; F89-F119 PolarHBondContact N-O 3.3Å; F89-L120 HydrophobicContact CB-CD2 3.69Å; F89-L120 HydrophobicContact CD2-CD2 4Å; F89-L120 HydrophobicContact CG-CD2 4.03Å; F89-L121 PolarHBondContact O-N 3.31Å
90L98.9Very high97.4Very high0 Ų029 Ų290%015%0.153CC..  trans-90.5-15.1-169.2-61.3177000114.3C62 L88 L121 C171 H173 A247 L266C62-L90 WeakPolarHBondContact O-CG 3.38Å; C62-L90 PolarHBondContact O-N 3.43Å; L88-L90 HydrophobicContact CD2-CD2 4.11Å; L88-L90 HydrophobicContact CG-CD2 4.18Å; L90-L121 HydrophobicContact CD2-CD1 3.89Å; L90-C171 HydrophobicContact CD2-CB 3.93Å; L90-H173 VanDerWaalsContact O-CB 3.24Å; L90-H173 WeakPolarHBondContact O-CB 3.45Å; L90-H173 PolarHBondContact O-ND1 3.21Å; L90-A247 HydrophobicContact CB-CB 3.75Å; L90-A247 HydrophobicContact CD1-CB 4.03Å; L90-L266 HydrophobicContact CD1-CD1 4.32Å
91G98.7Very high97.5Very high0 Ų028.2 Ų28.20%014%0.143CC..SBendtrans139.2-176.6178.900000113.2Y93G91-Y93 PolarHBondContact N-OH 2.96Å
92D98.7Very high97.5Very high1 Ų126.5 Ų26.51%0.00514%0.136CC..  trans56.462.3175.4-73.54.4000113.4D64 I65 H66 G123 N124 H125 E126 H173 H248D64-D92 HydrophobicContact CB-CB 4.13Å; D64-D92 WeakPolarHBondContact OD2-CB 3.49Å; I65-D92 PolarHBondContact N-O 2.87Å; H66-D92 IonicContact CE1-OD2 3.58Å; H66-D92 PolarHBondContact N-O 2.91Å; H66-D92 IonicContact NE2-OD2 3.51Å; D92-G123 WeakPolarHBondContact OD1-CA 3.24Å; D92-N124 PolarHBondContact OD1-N 2.94Å; D92-N124 VanDerWaalsContact OD1-N 3.08Å; D92-N124 PolarHBondContact OD1-OD1 3.22Å; D92-N124 VanDerWaalsContact OD1-OD1 3.1Å; D92-N124 PolarHBondContact OD2-OD1 3.18Å; D92-H125 HydrophobicContact CB-CB 4.42Å; D92-H125 VanDerWaalsContact CG-CD2 3.46Å; D92-H125 VanDerWaalsContact OD1-CB 3.32Å; D92-H125 WeakPolarHBondContact OD1-CB 3.2Å; D92-H125 IonicContact OD1-CD2 2.7Å; D92-H125 PolarHBondContact OD1-CD2 3.48Å; D92-H125 IonicContact OD1-CG 3.33Å; D92-H125 PolarHBondContact OD1-N 2.87Å; D92-H125 IonicContact OD2-CD2 2.84Å; D92-H125 PolarHBondContact OD2-CD2 2.88Å; D92-H125 VanDerWaalsContact OD2-CD2 3.23Å; D92-E126 WeakPolarHBondContact CA-OE2 3.35Å; D92-E126 PolarHBondContact N-OE2 3.26Å; D92-H173 IonicContact OD1-CD2 3.42Å; D92-H173 IonicContact OD1-CE1 2.71Å; D92-H173 IonicContact OD1-NE2 3.85Å; D92-H173 PolarHBondContact OD1-NE2 3.36Å; D92-H173 VanDerWaalsContact OD1-NE2 3.12Å; D92-H173 IonicContact OD2-CE1 3.23Å; D92-H173 PolarHBondContact OD2-CE1 3.02Å; D92-H173 VanDerWaalsContact OD2-CE1 3.3Å; D92-H173 IonicContact OD2-NE2 2.79Å; D92-H173 PolarHBondContact OD2-NE2 3.19Å; D92-H248 IonicContact OD2-ND1 3.39Å
93Y98.8Very high97.6Very high0 Ų026.1 Ų26.10%013%0.133CC..  trans-84.8-34.6-179.4-47.6-45.5000112.3G67 F89 G91 T103 I104 L107 L120 L121 E126G67-Y93 PolarHBondContact N-O 2.86Å; F89-Y93 HydrophobicContact CB-CE1 3.64Å; F89-Y93 HydrophobicContact CD1-CE1 4.37Å; F89-Y93 HydrophobicContact CG-CE1 4.38Å; F89-Y93 PolarHBondContact O-OH 3.5Å; G91-Y93 PolarHBondContact N-OH 2.96Å; Y93-T103 WeakPolarHBondContact O-CG2 3.21Å; Y93-I104 HydrophobicContact CD2-CD1 3.66Å; Y93-I104 HydrophobicContact CG-CD1 4.13Å; Y93-L107 HydrophobicContact CD1-CD1 3.49Å; Y93-L107 VanDerWaalsContact CD1-CD1 3.49Å; Y93-L107 HydrophobicContact CD2-CD1 4.36Å; Y93-L107 HydrophobicContact CE1-CD1 4.07Å; Y93-L107 HydrophobicContact CG-CD1 3.66Å; Y93-L120 HydrophobicContact CE1-CD2 4.5Å; Y93-L120 HydrophobicContact CE2-CB 4.48Å; Y93-L121 WeakPolarHBondContact CE2-O 3.39Å; Y93-L121 VanDerWaalsContact CZ-O 3.3Å; Y93-L121 PolarHBondContact OH-N 2.83Å; Y93-L121 PolarHBondContact OH-O 2.95Å; Y93-E126 VanDerWaalsContact CD2-CD 3.5Å; Y93-E126 HydrophobicContact CD2-CG 3.84Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.43Å; Y93-E126 HydrophobicContact CE2-CG 4.2Å; Y93-E126 PolarHBondContact N-OE1 3.41Å
94V98.7Very high97.7Very high0 Ų023 Ų230%011%0.113CC..SBendtrans-107.6178.6-172.3-56.70000111.8H66 I104 H125 E126 N131 F136 F156H66-V94 PolarHBondContact ND1-O 2.85Å; V94-I104 HydrophobicContact CG1-CB 4.04Å; V94-I104 HydrophobicContact CG1-CG2 4.34Å; V94-H125 HydrophobicContact CG2-CB 4.4Å; V94-E126 PolarHBondContact N-OE1 2.64Å; V94-N131 HydrophobicContact CG2-CB 4.2Å; V94-F136 HydrophobicContact CB-CB 4.01Å; V94-F136 HydrophobicContact CB-CD1 4.1Å; V94-F136 HydrophobicContact CB-CD2 3.98Å; V94-F136 HydrophobicContact CB-CE2 4.44Å; V94-F136 HydrophobicContact CB-CG 3.77Å; V94-F136 HydrophobicContact CG1-CD1 4.17Å; V94-F136 HydrophobicContact CG1-CD2 4.01Å; V94-F136 HydrophobicContact CG1-CE1 4.15Å; V94-F136 HydrophobicContact CG1-CE2 3.96Å; V94-F136 HydrophobicContact CG1-CG 4.1Å; V94-F136 HydrophobicContact CG1-CZ 4.02Å; V94-F136 HydrophobicContact CG2-CB 4.09Å; V94-F136 HydrophobicContact CG2-CD1 3.97Å; V94-F136 HydrophobicContact CG2-CG 4.02Å; V94-F156 HydrophobicContact CG1-CZ 4.02Å; V94-F156 HydrophobicContact CG2-CE2 4.37Å
95D97.7Very high97.9Very high0 Ų016.3 Ų16.30%08%0.082CC..SBendtrans67.8167.9-178.2-64-42.3000114.7H66 G97 S100 H125 N131 Y134 G135 F136H66-D95 CarbonylContact C-O 3.6Å; H66-D95 VanDerWaalsContact CA-O 3.32Å; H66-D95 WeakPolarHBondContact CA-O 3.46Å; H66-D95 WeakPolarHBondContact CB-O 3.4Å; D95-G97 PolarHBondContact O-N 3.42Å; D95-S100 PolarHBondContact N-OG 2.97Å; D95-S100 VanDerWaalsContact N-OG 3.14Å; D95-H125 WeakPolarHBondContact CB-ND1 3.34Å; D95-H125 IonicContact OD2-CE1 2.88Å; D95-H125 IonicContact OD2-CG 2.63Å; D95-H125 IonicContact OD2-ND1 3.26Å; D95-H125 PolarHBondContact OD2-ND1 3.26Å; D95-N131 WeakPolarHBondContact OD1-CA 3.28Å; D95-N131 WeakPolarHBondContact OD2-CA 3.43Å; D95-N131 VanDerWaalsContact OD2-CB 3.29Å; D95-N131 WeakPolarHBondContact OD2-CB 3.43Å; D95-Y134 VanDerWaalsContact OD1-C 3.31Å; D95-G135 PolarHBondContact OD1-N 3.33Å; D95-F136 WeakPolarHBondContact OD1-CB 3.4Å; D95-F136 PolarHBondContact OD1-N 3.04Å
96R94.5Very high97.9Very high51 Ų5115 Ų1519%0.1927%0.073CC..SBendtrans65.3-54.5178.1-46.7-73.3-165.4110.31.2114.5H66 Y134 Y272 T321H66-R96 HydrophobicContact CB-CB 4.14Å; H66-R96 HydrophobicContact CB-CG 4.43Å; R96-Y134 PolarHBondContact N-O 3.44Å; R96-Y272 HydrophobicContact CB-CE2 4.42Å; R96-Y272 HydrophobicContact CG-CE2 4.48Å; R96-Y272 WeakPolarHBondContact CG-OH 3.22Å; R96-Y272 PolarHBondContact NH1-OH 3.29Å; R96-T321 PolarHBondContact NH2-OG1 2.92Å
97G93.9Very high98Very high23 Ų2313.2 Ų13.224%0.2376%0.063CC..SBendtrans-76.8175.9175.300000113.4H66 D95H66-G97 WeakPolarHBondContact O-CA 3.46Å; H66-G97 PolarHBondContact O-N 2.89Å; D95-G97 PolarHBondContact O-N 3.42Å
98K93.9Very high98Very high182 Ų18213.3 Ų13.379%0.7916%0.064SC*.SBendtrans-96.7-10.8-169.7-62.3-178.9-178175.30114.3
99Q97.1Very high98Very high12 Ų1213.3 Ų13.36%0.0566%0.064CC..  trans-133.548.3-170.2-61.9-169.1-103.200110.7G25 K26 G67 Y69 Y70 L101 E102 T103G25-Q99 VanDerWaalsContact CA-OE1 3.28Å; K26-Q99 PolarHBondContact O-NE2 2.59Å; G67-Q99 PolarHBondContact O-N 3.44Å; Y69-Q99 HydrophobicContact CG-CB 4.47Å; Y70-Q99 VanDerWaalsContact CE2-OE1 3.22Å; Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.04Å; Q99-E102 WeakPolarHBondContact CA-OE2 3.44Å; Q99-E102 HydrophobicContact CB-CB 4.4Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.22Å; Q99-T103 WeakPolarHBondContact O-CB 3.17Å; Q99-T103 PolarHBondContact O-N 2.77Å; Q99-T103 VanDerWaalsContact O-N 3.1Å; Q99-T103 PolarHBondContact O-OG1 3.47Å
100S98.5Very high98Very high0 Ų013.6 Ų13.60%07%0.065CC..Hα-helixtrans-65.3-35.6178.7-51.20000110.9D95 T103 I104 F136 E139D95-S100 PolarHBondContact N-OG 2.97Å; D95-S100 VanDerWaalsContact N-OG 3.14Å; S100-T103 PolarHBondContact O-N 3.34Å; S100-I104 VanDerWaalsContact O-CG2 3.29Å; S100-I104 WeakPolarHBondContact O-CG2 3.35Å; S100-I104 PolarHBondContact O-N 3.12Å; S100-F136 VanDerWaalsContact CB-CD2 3.48Å; S100-E139 WeakPolarHBondContact CA-OE2 3.47Å; S100-E139 WeakPolarHBondContact CB-OE2 3.47Å; S100-E139 PolarHBondContact N-OE1 2.95Å; S100-E139 PolarHBondContact N-OE2 3.45Å; S100-E139 PolarHBondContact OG-OE2 3.28Å; S100-E139 VanDerWaalsContact OG-OE2 3.1Å
101L98.6Very high97.9Very high4 Ų413.6 Ų13.62%0.0217%0.065CC..Hα-helixtrans-62.4-48.1178.2-75.9165.3000111.9Q99 T103 C105 F136 E139 R143 Y144 F152Q99-L101 VanDerWaalsContact C-N 3.28Å; Q99-L101 PolarHBondContact O-N 3.04Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.1Å; L101-C105 WeakPolarHBondContact O-CB 3.38Å; L101-C105 PolarHBondContact O-N 2.89Å; L101-C105 PolarHBondContact O-SG 2.82Å; L101-F136 HydrophobicContact CD2-CE2 3.91Å; L101-F136 HydrophobicContact CD2-CZ 4.38Å; L101-F136 HydrophobicContact CG-CE2 4.12Å; L101-E139 WeakPolarHBondContact CB-OE1 3.34Å; L101-E139 HydrophobicContact CD1-CG 3.89Å; L101-E139 HydrophobicContact CG-CG 4.3Å; L101-E139 WeakPolarHBondContact CG-OE1 3.17Å; L101-E139 PolarHBondContact N-OE1 2.95Å; L101-E139 VanDerWaalsContact N-OE1 3.12Å; L101-R143 HydrophobicContact CD1-CB 4.11Å; L101-Y144 HydrophobicContact CD1-CD2 3.84Å; L101-Y144 HydrophobicContact CD1-CE2 3.79Å; L101-F152 HydrophobicContact CD2-CD2 4.49Å; L101-F152 HydrophobicContact CD2-CE2 3.52Å; L101-F152 HydrophobicContact CD2-CZ 3.94Å
102E98.5Very high97.9Very high2 Ų214.9 Ų14.91%0.0097%0.072CC..Hα-helixtrans-60.9-44.7175.4-72.877.3-175.100111.5L16 N27 V28 Y69 Q99 C105 L106 R143L16-E102 HydrophobicContact CD2-CB 4.16Å; L16-E102 HydrophobicContact CD2-CG 4.2Å; N27-E102 WeakPolarHBondContact CA-OE1 3.29Å; V28-E102 HydrophobicContact CB-CG 3.98Å; V28-E102 HydrophobicContact CG2-CG 4.03Å; V28-E102 PolarHBondContact N-OE1 3.36Å; Y69-E102 HydrophobicContact CD1-CB 3.71Å; Y69-E102 HydrophobicContact CD1-CG 4.23Å; Y69-E102 HydrophobicContact CD2-CB 3.71Å; Y69-E102 HydrophobicContact CE1-CB 3.85Å; Y69-E102 HydrophobicContact CE1-CG 4.25Å; Y69-E102 HydrophobicContact CE2-CB 3.85Å; Y69-E102 HydrophobicContact CG-CB 3.64Å; Q99-E102 WeakPolarHBondContact CA-OE2 3.44Å; Q99-E102 HydrophobicContact CB-CB 4.4Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.22Å; E102-C105 PolarHBondContact O-N 3.09Å; E102-L106 WeakPolarHBondContact O-CB 3.33Å; E102-L106 PolarHBondContact O-N 3.01Å; E102-R143 IonicContact OE1-CZ 2.73Å; E102-R143 VanDerWaalsContact OE1-CZ 3.23Å; E102-R143 IonicContact OE1-NH1 3.87Å; E102-R143 PolarHBondContact OE1-NH1 3.01Å; E102-R143 IonicContact OE1-NH2 3.58Å; E102-R143 PolarHBondContact OE1-NH2 3.22Å; E102-R143 IonicContact OE2-CZ 3.87Å; E102-R143 IonicContact OE2-NH1 3.76Å; E102-R143 PolarHBondContact OE2-NH1 2.87Å
103T98.7Very high97.9Very high0 Ų018.7 Ų18.70%09%0.088CC..Hα-helixtrans-56.6-59.5179.4-590000110.8I65 G67 L72 Y93 Q99 S100 L101 C105 L106 L107I65-T103 HydrophobicContact CB-CG2 4.28Å; I65-T103 HydrophobicContact CG2-CG2 3.57Å; G67-T103 WeakPolarHBondContact CA-OG1 3.45Å; L72-T103 HydrophobicContact CD2-CG2 3.95Å; Y93-T103 WeakPolarHBondContact O-CG2 3.21Å; Q99-T103 WeakPolarHBondContact O-CB 3.17Å; Q99-T103 PolarHBondContact O-N 2.77Å; Q99-T103 VanDerWaalsContact O-N 3.1Å; Q99-T103 PolarHBondContact O-OG1 3.47Å; S100-T103 PolarHBondContact O-N 3.34Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.1Å; T103-C105 PolarHBondContact O-N 3.49Å; T103-L106 PolarHBondContact O-N 2.86Å; T103-L107 HydrophobicContact CG2-CD1 4.32Å; T103-L107 WeakPolarHBondContact O-CG 3.48Å; T103-L107 PolarHBondContact O-N 2.78Å; T103-L107 VanDerWaalsContact O-N 3.15Å
104I98.9Very high97.9Very high1 Ų120.5 Ų20.51%0.00510%0.095CC..Hα-helixtrans-68-35.9-176.7-166.760.7000112.1Y93 V94 S100 L106 L107 L108 F136 F152 F156Y93-I104 HydrophobicContact CD2-CD1 3.66Å; Y93-I104 HydrophobicContact CG-CD1 4.13Å; V94-I104 HydrophobicContact CG1-CB 4.04Å; V94-I104 HydrophobicContact CG1-CG2 4.34Å; S100-I104 VanDerWaalsContact O-CG2 3.29Å; S100-I104 WeakPolarHBondContact O-CG2 3.35Å; S100-I104 PolarHBondContact O-N 3.12Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 2.87Å; I104-L107 PolarHBondContact O-N 3.26Å; I104-L108 HydrophobicContact CD1-CD2 4.45Å; I104-L108 HydrophobicContact CD1-CG 4.23Å; I104-L108 HydrophobicContact CG1-CD1 4.08Å; I104-L108 HydrophobicContact CG1-CG 4.1Å; I104-L108 WeakPolarHBondContact O-CB 3.36Å; I104-L108 VanDerWaalsContact O-CG 3.23Å; I104-L108 WeakPolarHBondContact O-CG 3.44Å; I104-L108 PolarHBondContact O-N 2.87Å; I104-F136 HydrophobicContact CG2-CE2 4.38Å; I104-F136 HydrophobicContact CG2-CZ 4.2Å; I104-F152 HydrophobicContact CB-CE1 4.49Å; I104-F152 HydrophobicContact CG1-CD1 4.39Å; I104-F152 HydrophobicContact CG1-CE1 4.19Å; I104-F152 HydrophobicContact CG2-CD1 4.13Å; I104-F152 HydrophobicContact CG2-CE1 3.44Å; I104-F152 VanDerWaalsContact CG2-CE1 3.44Å; I104-F152 HydrophobicContact CG2-CZ 3.77Å; I104-F156 HydrophobicContact CD1-CE1 3.72Å; I104-F156 HydrophobicContact CD1-CZ 4.21Å; I104-F156 HydrophobicContact CG1-CE1 3.7Å; I104-F156 HydrophobicContact CG1-CZ 3.91Å
105C98.8Very high97.9Very high2 Ų222.4 Ų22.41%0.01411%0.108CC..Hα-helixtrans-64.1-39.4177.8-70.10000112L16 L30 L38 L101 E102 T103 A109L16-C105 HydrophobicContact CD1-CB 4.11Å; L30-C105 HydrophobicContact CD1-CB 3.78Å; L38-C105 HydrophobicContact CD1-CB 3.82Å; L101-C105 WeakPolarHBondContact O-CB 3.38Å; L101-C105 PolarHBondContact O-N 2.89Å; L101-C105 PolarHBondContact O-SG 2.82Å; E102-C105 PolarHBondContact O-N 3.09Å; T103-C105 PolarHBondContact O-N 3.49Å; C105-A109 VanDerWaalsContact O-CB 3.23Å; C105-A109 WeakPolarHBondContact O-CB 3.07Å; C105-A109 PolarHBondContact O-N 3.49Å
106L98.8Very high97.9Very high0 Ų028.6 Ų28.60%014%0.136CC..Hα-helixtrans-66.1-46.1177.1-177.359.7000111.3I13 L16 L17 Y69 L72 L73 F76 E102 T103 I104 L108 A109 Y110I13-L106 HydrophobicContact CG2-CD1 4.43Å; L16-L106 HydrophobicContact CB-CD1 4.04Å; L16-L106 HydrophobicContact CD1-CB 3.99Å; L16-L106 HydrophobicContact CD1-CD1 4.19Å; L17-L106 HydrophobicContact CD2-CD1 4.26Å; L17-L106 HydrophobicContact CD2-CD2 4.1Å; Y69-L106 HydrophobicContact CE2-CB 4.08Å; Y69-L106 HydrophobicContact CE2-CD2 3.72Å; L72-L106 HydrophobicContact CD2-CD2 4.29Å; L73-L106 HydrophobicContact CD2-CD2 3.78Å; F76-L106 HydrophobicContact CD2-CD2 4.37Å; F76-L106 HydrophobicContact CE2-CD2 3.86Å; F76-L106 HydrophobicContact CE2-CG 4.48Å; E102-L106 WeakPolarHBondContact O-CB 3.33Å; E102-L106 PolarHBondContact O-N 3.01Å; T103-L106 PolarHBondContact O-N 2.86Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 2.87Å; L106-L108 PolarHBondContact O-N 2.84Å; L106-A109 PolarHBondContact O-N 3.41Å; L106-Y110 HydrophobicContact CD1-CD2 3.96Å; L106-Y110 HydrophobicContact CD1-CE2 3.5Å; L106-Y110 HydrophobicContact CD2-CE2 4.13Å; L106-Y110 HydrophobicContact CG-CD2 3.96Å; L106-Y110 HydrophobicContact CG-CE2 3.69Å; L106-Y110 PolarHBondContact O-N 2.91Å
107L98.9Very high98Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-60.3-45.5177.8-65.8180000111.7L72 F76 F89 Y93 T103 I104 Y110 K111 F118 L120L72-L107 HydrophobicContact CD1-CD2 4.19Å; L72-L107 HydrophobicContact CD2-CD2 4.05Å; L72-L107 HydrophobicContact CD2-CG 4.2Å; F76-L107 HydrophobicContact CZ-CD2 4.27Å; F89-L107 HydrophobicContact CD1-CD2 4.21Å; F89-L107 HydrophobicContact CD2-CD2 4.14Å; F89-L107 HydrophobicContact CE1-CD2 3.94Å; F89-L107 HydrophobicContact CE2-CD2 3.86Å; F89-L107 HydrophobicContact CG-CD2 4.33Å; F89-L107 HydrophobicContact CZ-CD2 3.76Å; Y93-L107 HydrophobicContact CD1-CD1 3.49Å; Y93-L107 VanDerWaalsContact CD1-CD1 3.49Å; Y93-L107 HydrophobicContact CD2-CD1 4.36Å; Y93-L107 HydrophobicContact CE1-CD1 4.07Å; Y93-L107 HydrophobicContact CG-CD1 3.66Å; T103-L107 HydrophobicContact CG2-CD1 4.32Å; T103-L107 WeakPolarHBondContact O-CG 3.48Å; T103-L107 PolarHBondContact O-N 2.78Å; T103-L107 VanDerWaalsContact O-N 3.15Å; I104-L107 PolarHBondContact O-N 3.26Å; L107-Y110 PolarHBondContact O-N 2.76Å; L107-K111 WeakPolarHBondContact O-CB 3.47Å; L107-K111 PolarHBondContact O-N 3.1Å; L107-F118 HydrophobicContact CB-CE1 4.3Å; L107-F118 HydrophobicContact CD2-CE1 3.89Å; L107-F118 HydrophobicContact CD2-CZ 3.6Å; L107-F118 WeakPolarHBondContact O-CE1 3.13Å; L107-L120 HydrophobicContact CB-CD1 4.01Å; L107-L120 HydrophobicContact CB-CD2 4.15Å; L107-L120 HydrophobicContact CD1-CD2 4.37Å; L107-L120 HydrophobicContact CD2-CD2 4.42Å
108L98.9Very high98.2Very high2 Ų227.9 Ų27.91%0.0113%0.131CC..Hα-helixtrans-65.7-38.8176.6-67-177.4000112.1L38 F46 I104 L106 K111 I112 L120 F152L38-L108 HydrophobicContact CB-CB 4.35Å; F46-L108 HydrophobicContact CE2-CD2 3.94Å; F46-L108 HydrophobicContact CZ-CD2 3.9Å; I104-L108 HydrophobicContact CD1-CD2 4.45Å; I104-L108 HydrophobicContact CD1-CG 4.23Å; I104-L108 HydrophobicContact CG1-CD1 4.08Å; I104-L108 HydrophobicContact CG1-CG 4.1Å; I104-L108 WeakPolarHBondContact O-CB 3.36Å; I104-L108 VanDerWaalsContact O-CG 3.23Å; I104-L108 WeakPolarHBondContact O-CG 3.44Å; I104-L108 PolarHBondContact O-N 2.87Å; L106-L108 PolarHBondContact O-N 2.84Å; L108-K111 PolarHBondContact O-N 2.91Å; L108-I112 WeakPolarHBondContact O-CD1 3.31Å; L108-I112 VanDerWaalsContact O-CG1 3.26Å; L108-I112 WeakPolarHBondContact O-CG1 3.41Å; L108-I112 PolarHBondContact O-N 3.35Å; L108-L120 HydrophobicContact CD2-CD1 4.14Å; L108-F152 HydrophobicContact CD1-CE1 4.13Å
109A98.8Very high98.5Very high0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-64-42.917700000111.8I9 I12 I13 L38 C105 L106 I112 K113I9-A109 HydrophobicContact CG2-CB 4.43Å; I12-A109 HydrophobicContact CG2-CB 4.21Å; I13-A109 HydrophobicContact CD1-CB 4.21Å; I13-A109 HydrophobicContact CG1-CB 3.65Å; L38-A109 HydrophobicContact CD2-CB 3.9Å; C105-A109 VanDerWaalsContact O-CB 3.23Å; C105-A109 WeakPolarHBondContact O-CB 3.07Å; C105-A109 PolarHBondContact O-N 3.49Å; L106-A109 PolarHBondContact O-N 3.41Å; A109-I112 PolarHBondContact O-N 2.85Å; A109-K113 WeakPolarHBondContact O-CB 3.36Å; A109-K113 PolarHBondContact O-N 2.98Å
110Y98.8Very high98.5Very high5 Ų519.5 Ų19.52%0.029%0.094CC..Hα-helixtrans-65.4-40.3172.5-76.4-45.6000112.7I13 L17 F76 F81 P82 L106 L107 I112 K113 Y114 F118I13-Y110 HydrophobicContact CD1-CD1 3.86Å; I13-Y110 HydrophobicContact CD1-CE1 4Å; I13-Y110 HydrophobicContact CG1-CE1 4.44Å; I13-Y110 HydrophobicContact CG2-CE1 3.82Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.36Å; F76-Y110 HydrophobicContact CD2-CE2 4.33Å; F76-Y110 HydrophobicContact CE2-CD2 4.33Å; F76-Y110 AromaticContact CE2-CE2 3.84Å; F76-Y110 HydrophobicContact CE2-CE2 3.84Å; F76-Y110 HydrophobicContact CZ-CD2 4.14Å; F76-Y110 HydrophobicContact CZ-CE2 4.03Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.35Å; P82-Y110 HydrophobicContact CB-CD1 4.01Å; P82-Y110 HydrophobicContact CB-CE1 4.22Å; P82-Y110 HydrophobicContact CB-CG 4.44Å; P82-Y110 HydrophobicContact CG-CD1 4.04Å; P82-Y110 HydrophobicContact CG-CD2 4.19Å; P82-Y110 HydrophobicContact CG-CE1 4.18Å; P82-Y110 HydrophobicContact CG-CE2 4.31Å; P82-Y110 HydrophobicContact CG-CG 4.07Å; L106-Y110 HydrophobicContact CD1-CD2 3.96Å; L106-Y110 HydrophobicContact CD1-CE2 3.5Å; L106-Y110 HydrophobicContact CD2-CE2 4.13Å; L106-Y110 HydrophobicContact CG-CD2 3.96Å; L106-Y110 HydrophobicContact CG-CE2 3.69Å; L106-Y110 PolarHBondContact O-N 2.91Å; L107-Y110 PolarHBondContact O-N 2.76Å; Y110-I112 VanDerWaalsContact C-N 3.29Å; Y110-I112 PolarHBondContact O-N 3.24Å; Y110-K113 PolarHBondContact O-N 3.14Å; Y110-Y114 HydrophobicContact CD1-CD2 4.07Å; Y110-Y114 AromaticContact CD1-CE2 3.89Å; Y110-Y114 HydrophobicContact CD1-CE2 3.89Å; Y110-Y114 HydrophobicContact CE1-CE2 4.31Å; Y110-Y114 PolarHBondContact O-N 2.99Å; Y110-F118 AromaticContact CD2-CE2 4Å; Y110-F118 HydrophobicContact CD2-CE2 4Å; Y110-F118 HydrophobicContact CD2-CZ 4.05Å; Y110-F118 HydrophobicContact CG-CD2 4.4Å; Y110-F118 HydrophobicContact CG-CE2 4.21Å; Y110-F118 HydrophobicContact CG-CZ 4.41Å
111K98.7Very high98.6Very high1 Ų119.5 Ų19.50%0.0049%0.094CC..Hα-helixtrans-57.3-42.2173.7177.460.6-179.4172.60112.3F46 L107 L108 P115 F118 L120F46-K111 HydrophobicContact CE1-CD 3.97Å; F46-K111 HydrophobicContact CE1-CG 3.67Å; F46-K111 HydrophobicContact CZ-CG 3.97Å; L107-K111 WeakPolarHBondContact O-CB 3.47Å; L107-K111 PolarHBondContact O-N 3.1Å; L108-K111 PolarHBondContact O-N 2.91Å; K111-P115 PolarHBondContact NZ-O 2.65Å; K111-P115 WeakPolarHBondContact O-CA 3.41Å; K111-F118 HydrophobicContact CB-CD1 4.34Å; K111-F118 WeakPolarHBondContact CD-O 3.11Å; K111-F118 PolarHBondContact NZ-O 3.26Å; K111-L120 HydrophobicContact CB-CD1 4.25Å
112I98.6Very high98.6Very high27 Ų2719.3 Ų19.314%0.1389%0.094CC..Hα-helixtrans-69.3-40.6178.5-66.2159.9000111.1I9 L38 K41 S42 I45 L108 A109 Y110I9-I112 HydrophobicContact CD1-CB 4.21Å; I9-I112 HydrophobicContact CD1-CD1 3.92Å; I9-I112 HydrophobicContact CD1-CG2 3.87Å; I9-I112 HydrophobicContact CG1-CG2 3.86Å; L38-I112 HydrophobicContact CB-CD1 4.32Å; L38-I112 HydrophobicContact CD2-CD1 3.71Å; K41-I112 HydrophobicContact CB-CD1 3.74Å; K41-I112 HydrophobicContact CB-CG1 3.96Å; K41-I112 HydrophobicContact CB-CG2 4.45Å; K41-I112 HydrophobicContact CD-CG2 4.15Å; S42-I112 WeakPolarHBondContact OG-CD1 3.48Å; S42-I112 WeakPolarHBondContact OG-CG1 3.46Å; I45-I112 HydrophobicContact CD1-CB 4.33Å; I45-I112 HydrophobicContact CD1-CG1 4.07Å; L108-I112 WeakPolarHBondContact O-CD1 3.31Å; L108-I112 VanDerWaalsContact O-CG1 3.26Å; L108-I112 WeakPolarHBondContact O-CG1 3.41Å; L108-I112 PolarHBondContact O-N 3.35Å; A109-I112 PolarHBondContact O-N 2.85Å; Y110-I112 VanDerWaalsContact C-N 3.29Å; Y110-I112 PolarHBondContact O-N 3.24Å
113K98.4Very high98.6Very high80 Ų8019.2 Ų19.235%0.3489%0.093SC..Hα-helixtrans-72.4-37.3-177.3-166.9170.2176.6176.40112.6I9 D10 I13 A109 Y110I9-K113 HydrophobicContact CG2-CB 3.94Å; I9-K113 HydrophobicContact CG2-CD 4.44Å; I9-K113 HydrophobicContact CG2-CG 4.49Å; D10-K113 WeakPolarHBondContact OD1-CE 3.26Å; D10-K113 IonicContact OD1-NZ 2.63Å; D10-K113 PolarHBondContact OD1-NZ 3.44Å; I13-K113 HydrophobicContact CD1-CB 4.2Å; I13-K113 HydrophobicContact CD1-CD 3.63Å; A109-K113 WeakPolarHBondContact O-CB 3.36Å; A109-K113 PolarHBondContact O-N 2.98Å; Y110-K113 PolarHBondContact O-N 3.14Å
114Y98.4Very high98.6Very high39 Ų3919.2 Ų19.215%0.1539%0.093CC..  trans-131.865.4-174.3-47.4-65000110.8P82 P83 Y110 E116 N117 F118P82-Y114 HydrophobicContact CB-CD2 3.53Å; P82-Y114 HydrophobicContact CB-CE2 3.6Å; P82-Y114 WeakPolarHBondContact O-CE2 3.08Å; P82-Y114 PolarHBondContact O-OH 2.8Å; P83-Y114 HydrophobicContact CB-CD1 3.94Å; P83-Y114 HydrophobicContact CB-CE1 3.69Å; P83-Y114 HydrophobicContact CB-CE2 4.46Å; P83-Y114 HydrophobicContact CB-CG 4.44Å; P83-Y114 WeakPolarHBondContact CD-OH 3.3Å; P83-Y114 HydrophobicContact CG-CE1 3.82Å; Y110-Y114 HydrophobicContact CD1-CD2 4.07Å; Y110-Y114 AromaticContact CD1-CE2 3.89Å; Y110-Y114 HydrophobicContact CD1-CE2 3.89Å; Y110-Y114 HydrophobicContact CE1-CE2 4.31Å; Y110-Y114 PolarHBondContact O-N 2.99Å; Y114-E116 PolarHBondContact O-N 3.4Å; Y114-E116 VanDerWaalsContact O-N 3.14Å; Y114-N117 PolarHBondContact O-N 3.33Å; Y114-N117 VanDerWaalsContact O-N 3.1Å; Y114-F118 WeakPolarHBondContact O-CB 3.32Å; Y114-F118 PolarHBondContact O-N 3.03Å
115P98.1Very high98.5Very high40 Ų4019.2 Ų19.226%0.269%0.093SC..THydrogen-bonded Turntrans-62.9-23.7-171.124.8-34.7000114.6I45 Q49 K111I45-P115 HydrophobicContact CD1-CB 4.47Å; I45-P115 HydrophobicContact CG2-CB 3.99Å; Q49-P115 PolarHBondContact NE2-O 2.88Å; K111-P115 PolarHBondContact NZ-O 2.65Å; K111-P115 WeakPolarHBondContact O-CA 3.41Å
116E97.3Very high98.5Very high129 Ų12919.1 Ų19.160%0.6039%0.092SC*.THydrogen-bonded Turntrans-102.36.3-179.2-53.4-50.5125.500113.2Q49 Y114 F119Q49-E116 PolarHBondContact NE2-OE1 3.28Å; Y114-E116 PolarHBondContact O-N 3.4Å; Y114-E116 VanDerWaalsContact O-N 3.14Å; E116-F119 WeakPolarHBondContact O-CZ 3.36Å
117N97.3Very high98.5Very high60 Ų6019.2 Ų19.232%0.3219%0.093SC..THydrogen-bonded Turntrans-133.2-16.2-179.5-5991.8000112.8N86 Y87 Y114N86-N117 CarbonylContact C-O 3.58Å; N86-N117 WeakPolarHBondContact CA-O 3.45Å; N86-N117 WeakPolarHBondContact CB-O 3.26Å; N86-N117 VanDerWaalsContact OD1-CB 3.28Å; N86-N117 WeakPolarHBondContact OD1-CB 3.35Å; N86-N117 PolarHBondContact OD1-ND2 3.01Å; Y87-N117 PolarHBondContact N-O 2.9Å; Y114-N117 PolarHBondContact O-N 3.33Å; Y114-N117 VanDerWaalsContact O-N 3.1Å
118F98.7Very high98.4Very high0 Ų020.1 Ų20.10%010%0.1CC..EExtended strand (participates in β ladder)trans-124.7113.2-178.6-158.6-88.4000109.7F76 P82 Y87 F89 L107 Y110 K111 Y114 L120F76-F118 AromaticContact CE1-CE2 3.95Å; F76-F118 HydrophobicContact CE1-CE2 3.95Å; F76-F118 HydrophobicContact CE1-CZ 4.32Å; F76-F118 HydrophobicContact CZ-CE2 4.05Å; F76-F118 HydrophobicContact CZ-CZ 4.02Å; P82-F118 HydrophobicContact CB-CD2 4.32Å; P82-F118 HydrophobicContact CG-CD2 3.62Å; P82-F118 HydrophobicContact CG-CE2 3.73Å; Y87-F118 HydrophobicContact CD2-CD2 4.17Å; Y87-F118 HydrophobicContact CD2-CE2 4.07Å; Y87-F118 HydrophobicContact CG-CD2 4.23Å; Y87-F118 AromaticContact CG-CE2 3.97Å; Y87-F118 HydrophobicContact CG-CE2 3.97Å; F89-F118 HydrophobicContact CD2-CE1 4.19Å; F89-F118 HydrophobicContact CD2-CE2 4.44Å; F89-F118 AromaticContact CD2-CZ 3.83Å; F89-F118 HydrophobicContact CD2-CZ 3.83Å; F89-F118 HydrophobicContact CE2-CE1 4.2Å; F89-F118 AromaticContact CE2-CE2 3.8Å; F89-F118 HydrophobicContact CE2-CE2 3.8Å; F89-F118 AromaticContact CE2-CZ 3.38Å; F89-F118 HydrophobicContact CE2-CZ 3.38Å; F89-F118 HydrophobicContact CZ-CZ 4.28Å; L107-F118 HydrophobicContact CB-CE1 4.3Å; L107-F118 HydrophobicContact CD2-CE1 3.89Å; L107-F118 HydrophobicContact CD2-CZ 3.6Å; L107-F118 WeakPolarHBondContact O-CE1 3.13Å; Y110-F118 AromaticContact CD2-CE2 4Å; Y110-F118 HydrophobicContact CD2-CE2 4Å; Y110-F118 HydrophobicContact CD2-CZ 4.05Å; Y110-F118 HydrophobicContact CG-CD2 4.4Å; Y110-F118 HydrophobicContact CG-CE2 4.21Å; Y110-F118 HydrophobicContact CG-CZ 4.41Å; K111-F118 HydrophobicContact CB-CD1 4.34Å; K111-F118 WeakPolarHBondContact CD-O 3.11Å; K111-F118 PolarHBondContact NZ-O 3.26Å; Y114-F118 WeakPolarHBondContact O-CB 3.32Å; Y114-F118 PolarHBondContact O-N 3.03Å; F118-L120 HydrophobicContact CD1-CD2 4.29Å; F118-L120 HydrophobicContact CD1-CG 4.42Å; F118-L120 HydrophobicContact CE1-CD2 3.76Å; F118-L120 HydrophobicContact CE1-CG 4.29Å
119F98.8Very high98.2Very high15 Ų1522.4 Ų22.47%0.06612%0.117CC..EExtended strand (participates in β ladder)trans-119.8139.4-171-53.4-77.6000110.4L53 L55 L59 Y87 L88 F89 E116L53-F119 HydrophobicContact CD1-CB 4.1Å; L53-F119 HydrophobicContact CD1-CD1 4.11Å; L53-F119 HydrophobicContact CD1-CG 4.45Å; L55-F119 HydrophobicContact CD1-CB 4.25Å; L55-F119 HydrophobicContact CD1-CD1 4.45Å; L55-F119 HydrophobicContact CD1-CD2 3.87Å; L55-F119 HydrophobicContact CD1-CE2 4.34Å; L55-F119 HydrophobicContact CD1-CG 3.93Å; L55-F119 HydrophobicContact CD2-CD1 3.63Å; L55-F119 HydrophobicContact CD2-CD2 3.99Å; L55-F119 HydrophobicContact CD2-CE1 3.43Å; L55-F119 VanDerWaalsContact CD2-CE1 3.43Å; L55-F119 HydrophobicContact CD2-CE2 3.8Å; L55-F119 HydrophobicContact CD2-CG 3.91Å; L55-F119 HydrophobicContact CD2-CZ 3.51Å; L59-F119 HydrophobicContact CD2-CD2 4.09Å; L59-F119 HydrophobicContact CD2-CE2 4.07Å; Y87-F119 WeakPolarHBondContact O-CD2 3.46Å; Y87-F119 PolarHBondContact O-N 2.96Å; L88-F119 WeakPolarHBondContact CA-O 3.43Å; L88-F119 HydrophobicContact CB-CB 4.49Å; L88-F119 HydrophobicContact CD1-CB 3.64Å; F89-F119 PolarHBondContact N-O 3.3Å; E116-F119 WeakPolarHBondContact O-CZ 3.36Å
120L98.9Very high98.2Very high2 Ų222.5 Ų22.51%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-128.5123.9-178.8-61.6179.8000108.2F46 F89 Y93 L107 L108 K111 F118 L159F46-L120 HydrophobicContact CE1-CB 4.31Å; F46-L120 HydrophobicContact CZ-CB 4.44Å; F46-L120 HydrophobicContact CZ-CD1 4.08Å; F89-L120 HydrophobicContact CB-CD2 3.69Å; F89-L120 HydrophobicContact CD2-CD2 4Å; F89-L120 HydrophobicContact CG-CD2 4.03Å; Y93-L120 HydrophobicContact CE1-CD2 4.5Å; Y93-L120 HydrophobicContact CE2-CB 4.48Å; L107-L120 HydrophobicContact CB-CD1 4.01Å; L107-L120 HydrophobicContact CB-CD2 4.15Å; L107-L120 HydrophobicContact CD1-CD2 4.37Å; L107-L120 HydrophobicContact CD2-CD2 4.42Å; L108-L120 HydrophobicContact CD2-CD1 4.14Å; K111-L120 HydrophobicContact CB-CD1 4.25Å; F118-L120 HydrophobicContact CD1-CD2 4.29Å; F118-L120 HydrophobicContact CD1-CG 4.42Å; F118-L120 HydrophobicContact CE1-CD2 3.76Å; F118-L120 HydrophobicContact CE1-CG 4.29Å; L120-L159 HydrophobicContact CB-CD2 4.03Å
121L98.9Very high98.1Very high0 Ų022.2 Ų22.20%012%0.116CC..  trans-93167.8167.4-57.9-174.4000110.5L53 L88 F89 L90 Y93 P160 A163 C171L53-L121 HydrophobicContact CD1-CD2 3.98Å; L88-L121 HydrophobicContact CD1-CD1 4.2Å; L88-L121 HydrophobicContact CD1-CD2 4.18Å; L88-L121 HydrophobicContact CD1-CG 3.81Å; F89-L121 PolarHBondContact O-N 3.31Å; L90-L121 HydrophobicContact CD2-CD1 3.89Å; Y93-L121 WeakPolarHBondContact CE2-O 3.39Å; Y93-L121 VanDerWaalsContact CZ-O 3.3Å; Y93-L121 PolarHBondContact OH-N 2.83Å; Y93-L121 PolarHBondContact OH-O 2.95Å; L121-P160 CarbonylContact C-O 3.57Å; L121-P160 WeakPolarHBondContact CA-O 3.42Å; L121-P160 HydrophobicContact CD2-CB 4.03Å; L121-A163 HydrophobicContact CD1-CB 4.36Å; L121-A163 HydrophobicContact CD2-CB 4.27Å; L121-C171 HydrophobicContact CD1-CB 4.33Å
122R98.9Very high98Very high1 Ų128.9 Ų28.90%0.00414%0.141CC..  trans-86.8130.1175.4-164.3173.2-1741706.7109.5E126 F156 N157 L159 P160 V161 H173 T193 L205R122-E126 HydrophobicContact CG-CB 3.94Å; R122-E126 PolarHBondContact NE-O 3.06Å; R122-E126 PolarHBondContact NH2-O 2.86Å; R122-F156 PolarHBondContact NE-O 2.81Å; R122-N157 PolarHBondContact NH2-OD1 3Å; R122-L159 HydrophobicContact CB-CB 3.73Å; R122-L159 HydrophobicContact CB-CD1 4.29Å; R122-L159 HydrophobicContact CG-CB 4.11Å; R122-L159 HydrophobicContact CG-CD1 4.19Å; R122-P160 WeakPolarHBondContact CB-O 3.09Å; R122-P160 PolarHBondContact N-O 3.37Å; R122-V161 HydrophobicContact CB-CG1 4.15Å; R122-H173 WeakPolarHBondContact O-CB 3.4Å; R122-T193 PolarHBondContact NH1-O 2.9Å; R122-L205 HydrophobicContact CB-CD2 4.32Å; R122-L205 HydrophobicContact CG-CD1 4.34Å; R122-L205 WeakPolarHBondContact O-CD2 3.45Å
123G98.7Very high97.9Very high0 Ų031.2 Ų31.20%015%0.153CC..  trans-95.8177.2162.400000112.3D92 H125 E126 H173D92-G123 WeakPolarHBondContact OD1-CA 3.24Å; G123-H125 VanDerWaalsContact C-N 3.26Å; G123-H125 PolarHBondContact O-N 2.79Å; G123-E126 VanDerWaalsContact CA-OE2 3.26Å; G123-E126 WeakPolarHBondContact CA-OE2 3.21Å; G123-E126 PolarHBondContact N-OE2 2.74Å; G123-E126 PolarHBondContact O-N 3.44Å; G123-H173 VanDerWaalsContact CA-CD2 3.44Å; G123-H173 WeakPolarHBondContact CA-CD2 3.34Å
124N98.2Very high97.8Very high0 Ų028.5 Ų28.50%014%0.141CC..SBendtrans-74.4-19.7176.265.6-61.4000112.3D92 E126 C127 I130 H173 L205 W206 H248D92-N124 PolarHBondContact OD1-N 2.94Å; D92-N124 VanDerWaalsContact OD1-N 3.08Å; D92-N124 PolarHBondContact OD1-OD1 3.22Å; D92-N124 VanDerWaalsContact OD1-OD1 3.1Å; D92-N124 PolarHBondContact OD2-OD1 3.18Å; N124-E126 VanDerWaalsContact C-N 3.35Å; N124-C127 VanDerWaalsContact O-CB 3.29Å; N124-C127 WeakPolarHBondContact O-CB 2.96Å; N124-I130 WeakPolarHBondContact O-CB 3.45Å; N124-I130 VanDerWaalsContact O-CG1 3.29Å; N124-I130 WeakPolarHBondContact O-CG1 3.21Å; N124-H173 PolarHBondContact N-CD2 2.83Å; N124-H173 PolarHBondContact OD1-CD2 2.82Å; N124-H173 PolarHBondContact OD1-NE2 3.35Å; N124-L205 HydrophobicContact CB-CB 4.24Å; N124-W206 HydrophobicContact CB-CD2 3.89Å; N124-W206 VanDerWaalsContact CB-CE2 3.48Å; N124-W206 HydrophobicContact CB-CE3 4.37Å; N124-W206 HydrophobicContact CB-CG 4.4Å; N124-W206 HydrophobicContact CB-CH2 4.2Å; N124-W206 HydrophobicContact CB-CZ2 3.67Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.33Å; N124-W206 VanDerWaalsContact ND2-CZ3 3.3Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.25Å; N124-H248 VanDerWaalsContact CG-CE1 3.45Å; N124-H248 PolarHBondContact OD1-CE1 2.72Å; N124-H248 PolarHBondContact OD1-ND1 3.34Å
125H98.4Very high97.6Very high0 Ų028 Ų280%015%0.147CC..SBendtrans-79.6-14.8171.5-75.2-99.2000113.3H66 D92 V94 D95 G123 C127 I130 N131 Y134 T321H66-H125 AromaticContact CE1-CD2 3.52Å; H66-H125 AromaticContact CE1-CE1 3.84Å; H66-H125 AromaticContact CE1-CG 3.68Å; H66-H125 AromaticContact CE1-ND1 3.88Å; H66-H125 AromaticContact CE1-NE2 3.63Å; D92-H125 HydrophobicContact CB-CB 4.42Å; D92-H125 VanDerWaalsContact CG-CD2 3.46Å; D92-H125 VanDerWaalsContact OD1-CB 3.32Å; D92-H125 WeakPolarHBondContact OD1-CB 3.2Å; D92-H125 IonicContact OD1-CD2 2.7Å; D92-H125 PolarHBondContact OD1-CD2 3.48Å; D92-H125 IonicContact OD1-CG 3.33Å; D92-H125 PolarHBondContact OD1-N 2.87Å; D92-H125 IonicContact OD2-CD2 2.84Å; D92-H125 PolarHBondContact OD2-CD2 2.88Å; D92-H125 VanDerWaalsContact OD2-CD2 3.23Å; V94-H125 HydrophobicContact CG2-CB 4.4Å; D95-H125 WeakPolarHBondContact CB-ND1 3.34Å; D95-H125 IonicContact OD2-CE1 2.88Å; D95-H125 IonicContact OD2-CG 2.63Å; D95-H125 IonicContact OD2-ND1 3.26Å; D95-H125 PolarHBondContact OD2-ND1 3.26Å; G123-H125 VanDerWaalsContact C-N 3.26Å; G123-H125 PolarHBondContact O-N 2.79Å; H125-C127 PolarHBondContact O-N 3.2Å; H125-I130 HydrophobicContact CB-CG2 4.34Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.39Å; H125-N131 WeakPolarHBondContact O-CB 3.41Å; H125-N131 PolarHBondContact O-ND2 2.89Å; H125-N131 VanDerWaalsContact O-ND2 3.17Å; H125-Y134 AromaticContact CE1-CD2 3.89Å; H125-Y134 AromaticContact CE1-CG 3.83Å; H125-T321 WeakPolarHBondContact NE2-CG2 3.46Å; H125-T321 PolarHBondContact NE2-OG1 2.74Å; H125-T321 VanDerWaalsContact NE2-OG1 3.09Å
126E98.5Very high97.6Very high0 Ų026 Ų260%014%0.135CC..SBendtrans-82.241.6166.1-72.769.9-12900111.6D92 Y93 V94 R122 G123 N124 F156 L159D92-E126 WeakPolarHBondContact CA-OE2 3.35Å; D92-E126 PolarHBondContact N-OE2 3.26Å; Y93-E126 VanDerWaalsContact CD2-CD 3.5Å; Y93-E126 HydrophobicContact CD2-CG 3.84Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.43Å; Y93-E126 HydrophobicContact CE2-CG 4.2Å; Y93-E126 PolarHBondContact N-OE1 3.41Å; V94-E126 PolarHBondContact N-OE1 2.64Å; R122-E126 HydrophobicContact CG-CB 3.94Å; R122-E126 PolarHBondContact NE-O 3.06Å; R122-E126 PolarHBondContact NH2-O 2.86Å; G123-E126 VanDerWaalsContact CA-OE2 3.26Å; G123-E126 WeakPolarHBondContact CA-OE2 3.21Å; G123-E126 PolarHBondContact N-OE2 2.74Å; G123-E126 PolarHBondContact O-N 3.44Å; N124-E126 VanDerWaalsContact C-N 3.35Å; E126-F156 HydrophobicContact CB-CB 3.99Å; E126-F156 HydrophobicContact CB-CD1 4.25Å; E126-F156 HydrophobicContact CB-CD2 4.06Å; E126-F156 HydrophobicContact CB-CG 3.85Å; E126-F156 HydrophobicContact CG-CD1 3.88Å; E126-F156 HydrophobicContact CG-CD2 4.13Å; E126-F156 HydrophobicContact CG-CE1 4.02Å; E126-F156 HydrophobicContact CG-CE2 4.25Å; E126-F156 HydrophobicContact CG-CG 3.95Å; E126-F156 HydrophobicContact CG-CZ 4.2Å; E126-L159 HydrophobicContact CB-CD1 3.9Å; E126-L159 HydrophobicContact CG-CD1 3.84Å
127C97.4Very high97.7Very high3 Ų321.5 Ų21.52%0.0211%0.112CC..SBendtrans-132.7138.2176.7179.20000110.7N124 H125 S129 I130 N131 V195N124-C127 VanDerWaalsContact O-CB 3.29Å; N124-C127 WeakPolarHBondContact O-CB 2.96Å; H125-C127 PolarHBondContact O-N 3.2Å; C127-S129 VanDerWaalsContact C-N 3.31Å; C127-S129 PolarHBondContact O-N 3.17Å; C127-S129 PolarHBondContact SG-OG 2.96Å; C127-I130 HydrophobicContact CB-CG1 4.34Å; C127-I130 PolarHBondContact O-N 3.39Å; C127-N131 PolarHBondContact O-N 3.06Å; C127-N131 PolarHBondContact O-ND2 2.89Å; C127-N131 PolarHBondContact O-OD1 2.99Å; C127-V195 HydrophobicContact CB-CB 4.33Å; C127-V195 HydrophobicContact CB-CG2 3.86Å
128A97.2Very high97.7Very high18 Ų1823 Ų2315%0.14912%0.12CC..Hα-helixtrans-60-38.2-175.500000113.2I130 R132 W149 T153A128-I130 VanDerWaalsContact C-N 3.29Å; A128-I130 PolarHBondContact O-N 2.86Å; A128-R132 WeakPolarHBondContact O-CB 3.48Å; A128-R132 PolarHBondContact O-N 2.96Å; A128-W149 HydrophobicContact CB-CH2 4.23Å; A128-W149 HydrophobicContact CB-CZ2 4.17Å; A128-T153 HydrophobicContact CB-CG2 3.67Å
129S96.2Very high97.7Very high51 Ų5123.5 Ų23.536%0.35712%0.123SC..Hα-helixtrans-67.9-32.3-177.962.80000112.1C127C127-S129 VanDerWaalsContact C-N 3.31Å; C127-S129 PolarHBondContact O-N 3.17Å; C127-S129 PolarHBondContact SG-OG 2.96Å
130I96.9Very high97.7Very high1 Ų122.8 Ų22.81%0.00512%0.119CC..Hα-helixtrans-83.9-57-179.6-57.8-50.8000110.6N124 H125 C127 A128 R132 I133 Y134 W206 T321 P324N124-I130 WeakPolarHBondContact O-CB 3.45Å; N124-I130 VanDerWaalsContact O-CG1 3.29Å; N124-I130 WeakPolarHBondContact O-CG1 3.21Å; H125-I130 HydrophobicContact CB-CG2 4.34Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.39Å; C127-I130 HydrophobicContact CB-CG1 4.34Å; C127-I130 PolarHBondContact O-N 3.39Å; A128-I130 VanDerWaalsContact C-N 3.29Å; A128-I130 PolarHBondContact O-N 2.86Å; I130-R132 PolarHBondContact O-N 2.91Å; I130-I133 VanDerWaalsContact O-CG1 3.3Å; I130-I133 WeakPolarHBondContact O-CG1 3.46Å; I130-I133 PolarHBondContact O-N 3.04Å; I130-Y134 HydrophobicContact CB-CD2 4.45Å; I130-Y134 HydrophobicContact CD1-CE2 4.48Å; I130-Y134 HydrophobicContact CG2-CD2 3.5Å; I130-Y134 VanDerWaalsContact CG2-CD2 3.5Å; I130-Y134 HydrophobicContact CG2-CE2 3.84Å; I130-Y134 WeakPolarHBondContact O-CD2 3.48Å; I130-Y134 PolarHBondContact O-N 3.33Å; I130-W206 HydrophobicContact CD1-CH2 3.57Å; I130-W206 HydrophobicContact CD1-CZ2 3.53Å; I130-W206 HydrophobicContact CG1-CH2 4.01Å; I130-W206 HydrophobicContact CG1-CZ2 3.65Å; I130-T321 HydrophobicContact CG2-CG2 4.45Å; I130-P324 HydrophobicContact CD1-CG 3.72Å
131N97.3Very high97.6Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-71.7-5.3-175.270.229.9000114.6V94 D95 H125 C127 I133 F136 Y137 W149V94-N131 HydrophobicContact CG2-CB 4.2Å; D95-N131 WeakPolarHBondContact OD1-CA 3.28Å; D95-N131 WeakPolarHBondContact OD2-CA 3.43Å; D95-N131 VanDerWaalsContact OD2-CB 3.29Å; D95-N131 WeakPolarHBondContact OD2-CB 3.43Å; H125-N131 WeakPolarHBondContact O-CB 3.41Å; H125-N131 PolarHBondContact O-ND2 2.89Å; H125-N131 VanDerWaalsContact O-ND2 3.17Å; C127-N131 PolarHBondContact O-N 3.06Å; C127-N131 PolarHBondContact O-ND2 2.89Å; C127-N131 PolarHBondContact O-OD1 2.99Å; N131-I133 VanDerWaalsContact C-N 3.34Å; N131-F136 HydrophobicContact CB-CB 4.04Å; N131-F136 HydrophobicContact CB-CD1 4.21Å; N131-Y137 VanDerWaalsContact O-CB 3.25Å; N131-Y137 WeakPolarHBondContact O-CB 3.22Å; N131-Y137 PolarHBondContact O-N 3.13Å; N131-W149 WeakPolarHBondContact OD1-CZ2 3.23Å; N131-W149 PolarHBondContact OD1-NE1 3.3Å
132R97.4Very high97.6Very high141 Ų14136 Ų3653%0.53217%0.172SC..THydrogen-bonded Turntrans-67.9-30164.9-177.6174.3-171.9119.40.3113.7A128 I130 W149A128-R132 WeakPolarHBondContact O-CB 3.48Å; A128-R132 PolarHBondContact O-N 2.96Å; I130-R132 PolarHBondContact O-N 2.91Å; R132-W149 HydrophobicContact CB-CZ2 4.18Å
133I96.1Very high97.5Very high76 Ų7638 Ų3839%0.3918%0.179SC..THydrogen-bonded Turntrans-119-13.2-168.965.9173.6000114.2I130 N131 P324 M327I130-I133 VanDerWaalsContact O-CG1 3.3Å; I130-I133 WeakPolarHBondContact O-CG1 3.46Å; I130-I133 PolarHBondContact O-N 3.04Å; N131-I133 VanDerWaalsContact C-N 3.34Å; I133-P324 HydrophobicContact CD1-CB 4.22Å; I133-P324 HydrophobicContact CD1-CG 4.28Å; I133-M327 HydrophobicContact CD1-CE 3.55Å; I133-M327 HydrophobicContact CD1-SD 3.99Å; I133-M327 HydrophobicContact CG1-CE 4.29Å
134Y95.3Very high97.5Very high23 Ų2340 Ų409%0.0919%0.187CC..SBendtrans-104.63.3-176.3-73.3-79.7000115.3D95 R96 H125 I130 F316 T321 P322 M327D95-Y134 VanDerWaalsContact OD1-C 3.31Å; R96-Y134 PolarHBondContact N-O 3.44Å; H125-Y134 AromaticContact CE1-CD2 3.89Å; H125-Y134 AromaticContact CE1-CG 3.83Å; I130-Y134 HydrophobicContact CB-CD2 4.45Å; I130-Y134 HydrophobicContact CD1-CE2 4.48Å; I130-Y134 HydrophobicContact CG2-CD2 3.5Å; I130-Y134 VanDerWaalsContact CG2-CD2 3.5Å; I130-Y134 HydrophobicContact CG2-CE2 3.84Å; I130-Y134 WeakPolarHBondContact O-CD2 3.48Å; I130-Y134 PolarHBondContact O-N 3.33Å; Y134-F316 HydrophobicContact CE1-CE1 4.2Å; Y134-F316 AromaticContact CE1-CZ 3.83Å; Y134-F316 HydrophobicContact CE1-CZ 3.83Å; Y134-T321 HydrophobicContact CE1-CG2 4.34Å; Y134-T321 HydrophobicContact CE2-CG2 3.67Å; Y134-T321 WeakPolarHBondContact OH-CG2 3.4Å; Y134-P322 WeakPolarHBondContact OH-CD 3.36Å; Y134-P322 WeakPolarHBondContact OH-CG 3.33Å; Y134-P322 PolarHBondContact OH-O 3.26Å; Y134-M327 HydrophobicContact CD1-CE 4.34Å; Y134-M327 HydrophobicContact CD2-CE 4.48Å; Y134-M327 HydrophobicContact CE1-CE 3.46Å; Y134-M327 VanDerWaalsContact CE1-CE 3.46Å; Y134-M327 HydrophobicContact CE2-CE 3.63Å; Y134-M327 WeakPolarHBondContact OH-CE 3.43Å
135G95.3Very high97.5Very high27 Ų2742.2 Ų42.228%0.27820%0.199SC..SBendtrans132.2-28.2163.100000115.8D95 Y137 D138 E139D95-G135 PolarHBondContact OD1-N 3.33Å; G135-Y137 PolarHBondContact O-N 3.44Å; G135-D138 PolarHBondContact O-N 3.38Å; G135-E139 PolarHBondContact O-N 3.39Å
136F98.4Very high97.4Very high0 Ų045.2 Ų45.20%022%0.215CC..Hα-helixtrans-66.7-39.4-173.9-176-131.2000113V94 D95 S100 L101 I104 N131 D138 E139 C140 W149 F152 F156V94-F136 HydrophobicContact CB-CB 4.01Å; V94-F136 HydrophobicContact CB-CD1 4.1Å; V94-F136 HydrophobicContact CB-CD2 3.98Å; V94-F136 HydrophobicContact CB-CE2 4.44Å; V94-F136 HydrophobicContact CB-CG 3.77Å; V94-F136 HydrophobicContact CG1-CD1 4.17Å; V94-F136 HydrophobicContact CG1-CD2 4.01Å; V94-F136 HydrophobicContact CG1-CE1 4.15Å; V94-F136 HydrophobicContact CG1-CE2 3.96Å; V94-F136 HydrophobicContact CG1-CG 4.1Å; V94-F136 HydrophobicContact CG1-CZ 4.02Å; V94-F136 HydrophobicContact CG2-CB 4.09Å; V94-F136 HydrophobicContact CG2-CD1 3.97Å; V94-F136 HydrophobicContact CG2-CG 4.02Å; D95-F136 WeakPolarHBondContact OD1-CB 3.4Å; D95-F136 PolarHBondContact OD1-N 3.04Å; S100-F136 VanDerWaalsContact CB-CD2 3.48Å; L101-F136 HydrophobicContact CD2-CE2 3.91Å; L101-F136 HydrophobicContact CD2-CZ 4.38Å; L101-F136 HydrophobicContact CG-CE2 4.12Å; I104-F136 HydrophobicContact CG2-CE2 4.38Å; I104-F136 HydrophobicContact CG2-CZ 4.2Å; N131-F136 HydrophobicContact CB-CB 4.04Å; N131-F136 HydrophobicContact CB-CD1 4.21Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-D138 PolarHBondContact O-N 3.27Å; F136-E139 PolarHBondContact O-N 3.19Å; F136-C140 VanDerWaalsContact CE2-SG 3.6Å; F136-C140 WeakPolarHBondContact O-CB 3.33Å; F136-C140 PolarHBondContact O-N 2.8Å; F136-C140 PolarHBondContact O-SG 2.83Å; F136-W149 AromaticContact CD1-CD1 3.96Å; F136-F152 HydrophobicContact CE1-CB 3.77Å; F136-F152 HydrophobicContact CE1-CD2 4.08Å; F136-F152 AromaticContact CE1-CG 3.91Å; F136-F152 HydrophobicContact CE1-CG 3.91Å; F136-F152 HydrophobicContact CZ-CB 4.07Å; F136-F152 HydrophobicContact CZ-CD1 4.12Å; F136-F152 AromaticContact CZ-CD2 3.57Å; F136-F152 HydrophobicContact CZ-CD2 3.57Å; F136-F152 HydrophobicContact CZ-CE1 4.45Å; F136-F152 AromaticContact CZ-CE2 3.92Å; F136-F152 HydrophobicContact CZ-CE2 3.92Å; F136-F152 AromaticContact CZ-CG 3.66Å; F136-F152 HydrophobicContact CZ-CG 3.66Å; F136-F152 HydrophobicContact CZ-CZ 4.33Å; F136-F156 HydrophobicContact CD1-CE2 4.23Å; F136-F156 AromaticContact CE1-CE2 3.73Å; F136-F156 HydrophobicContact CE1-CE2 3.73Å; F136-F156 AromaticContact CE1-CZ 3.97Å; F136-F156 HydrophobicContact CE1-CZ 3.97Å; F136-F156 HydrophobicContact CZ-CZ 4.42Å
137Y98.5Very high97.4Very high34 Ų3451.8 Ų51.813%0.13324%0.243CC..Hα-helixtrans-57.2-47173171.8-92.3000112.1N131 G135 C140 K141 I146 W149N131-Y137 VanDerWaalsContact O-CB 3.25Å; N131-Y137 WeakPolarHBondContact O-CB 3.22Å; N131-Y137 PolarHBondContact O-N 3.13Å; G135-Y137 PolarHBondContact O-N 3.44Å; Y137-C140 PolarHBondContact O-N 2.97Å; Y137-K141 HydrophobicContact CE1-CD 4.08Å; Y137-K141 VanDerWaalsContact O-CB 3.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.48Å; Y137-K141 PolarHBondContact O-N 2.9Å; Y137-I146 HydrophobicContact CE2-CG1 4.13Å; Y137-I146 HydrophobicContact CE2-CG2 4Å; Y137-I146 VanDerWaalsContact OH-CD1 3.32Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.13Å; Y137-W149 HydrophobicContact CD2-CB 4.48Å; Y137-W149 AromaticContact CD2-CD2 3.52Å; Y137-W149 HydrophobicContact CD2-CD2 3.52Å; Y137-W149 AromaticContact CD2-CE2 3.76Å; Y137-W149 AromaticContact CD2-CE3 3.78Å; Y137-W149 HydrophobicContact CD2-CE3 3.78Å; Y137-W149 AromaticContact CD2-CG 3.82Å; Y137-W149 HydrophobicContact CD2-CG 3.82Å; Y137-W149 HydrophobicContact CD2-CH2 4.47Å; Y137-W149 HydrophobicContact CD2-CZ2 4.24Å; Y137-W149 HydrophobicContact CD2-CZ3 4.25Å; Y137-W149 HydrophobicContact CE2-CD2 4.23Å; Y137-W149 HydrophobicContact CE2-CE3 4.03Å; Y137-W149 HydrophobicContact CE2-CZ3 4.38Å
138D98.2Very high97.5Very high91 Ų9151.6 Ų51.649%0.48724%0.242SC..Hα-helixtrans-68.4-36.8179.2-75.1-29.7000111.5G135 F136 K141 R142G135-D138 PolarHBondContact O-N 3.38Å; F136-D138 VanDerWaalsContact C-N 3.34Å; F136-D138 PolarHBondContact O-N 3.27Å; D138-K141 PolarHBondContact O-N 3.46Å; D138-R142 WeakPolarHBondContact O-CB 3.48Å; D138-R142 PolarHBondContact O-N 3.31Å
139E98.1Very high97.6Very high11 Ų1151.6 Ų51.65%0.05124%0.238CC..Hα-helixtrans-60.2-50.6173.3-166.9-17415700111.4S100 L101 G135 F136 R142 R143S100-E139 WeakPolarHBondContact CA-OE2 3.47Å; S100-E139 WeakPolarHBondContact CB-OE2 3.47Å; S100-E139 PolarHBondContact N-OE1 2.95Å; S100-E139 PolarHBondContact N-OE2 3.45Å; S100-E139 PolarHBondContact OG-OE2 3.28Å; S100-E139 VanDerWaalsContact OG-OE2 3.1Å; L101-E139 WeakPolarHBondContact CB-OE1 3.34Å; L101-E139 HydrophobicContact CD1-CG 3.89Å; L101-E139 HydrophobicContact CG-CG 4.3Å; L101-E139 WeakPolarHBondContact CG-OE1 3.17Å; L101-E139 PolarHBondContact N-OE1 2.95Å; L101-E139 VanDerWaalsContact N-OE1 3.12Å; G135-E139 PolarHBondContact O-N 3.39Å; F136-E139 PolarHBondContact O-N 3.19Å; E139-R142 PolarHBondContact O-N 3.26Å; E139-R143 WeakPolarHBondContact O-CB 3.49Å; E139-R143 PolarHBondContact O-N 3.05Å; E139-R143 IonicContact OE1-NH1 3.37Å; E139-R143 PolarHBondContact OE1-NH1 3.38Å
140C98.5Very high97.7Very high0 Ų054.8 Ų54.80%025%0.246CC..Hα-helixtrans-59.6-48.4176.3-70.40000111.7F136 Y137 R142 Y144 N145 W149F136-C140 VanDerWaalsContact CE2-SG 3.6Å; F136-C140 WeakPolarHBondContact O-CB 3.33Å; F136-C140 PolarHBondContact O-N 2.8Å; F136-C140 PolarHBondContact O-SG 2.83Å; Y137-C140 PolarHBondContact O-N 2.97Å; C140-R142 VanDerWaalsContact C-N 3.34Å; C140-R142 PolarHBondContact O-N 2.94Å; C140-Y144 CarbonylContact O-C 3.52Å; C140-Y144 VanDerWaalsContact O-C 3.27Å; C140-Y144 WeakPolarHBondContact O-CA 3.2Å; C140-Y144 PolarHBondContact O-N 3.46Å; C140-N145 PolarHBondContact O-N 2.88Å; C140-W149 HydrophobicContact CB-CB 3.72Å
141K98.1Very high97.8Very high111 Ų11155.4 Ų55.448%0.48325%0.249SC..Hα-helixtrans-61.1-41.4180178.2-177.7173.2-168.90111.9Y137 D138 I146Y137-K141 HydrophobicContact CE1-CD 4.08Å; Y137-K141 VanDerWaalsContact O-CB 3.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.48Å; Y137-K141 PolarHBondContact O-N 2.9Å; D138-K141 PolarHBondContact O-N 3.46Å; K141-I146 HydrophobicContact CB-CG1 4.22Å; K141-I146 HydrophobicContact CD-CD1 4.32Å; K141-I146 HydrophobicContact CD-CG1 4.29Å; K141-I146 HydrophobicContact CG-CD1 4.45Å; K141-I146 HydrophobicContact CG-CG1 4.03Å
142R97.6Very high97.8Very high167 Ų16755.4 Ų55.463%0.6325%0.249SC*.Hα-helixtrans-74.3-40.5-177.5-177.2-173.960.774.7-2.5112.6D138 E139 C140D138-R142 WeakPolarHBondContact O-CB 3.48Å; D138-R142 PolarHBondContact O-N 3.31Å; E139-R142 PolarHBondContact O-N 3.26Å; C140-R142 VanDerWaalsContact C-N 3.34Å; C140-R142 PolarHBondContact O-N 2.94Å
143R97.7Very high97.9Very high43 Ų4349.3 Ų49.316%0.16223%0.228CC..Hα-helixtrans-90.8-26.5-174.8-68-178.759.8-178.84.4113.7V28 L101 E102 E139V28-R143 PolarHBondContact O-NH2 2.78Å; L101-R143 HydrophobicContact CD1-CB 4.11Å; E102-R143 IonicContact OE1-CZ 2.73Å; E102-R143 VanDerWaalsContact OE1-CZ 3.23Å; E102-R143 IonicContact OE1-NH1 3.87Å; E102-R143 PolarHBondContact OE1-NH1 3.01Å; E102-R143 IonicContact OE1-NH2 3.58Å; E102-R143 PolarHBondContact OE1-NH2 3.22Å; E102-R143 IonicContact OE2-CZ 3.87Å; E102-R143 IonicContact OE2-NH1 3.76Å; E102-R143 PolarHBondContact OE2-NH1 2.87Å; E139-R143 WeakPolarHBondContact O-CB 3.49Å; E139-R143 PolarHBondContact O-N 3.05Å; E139-R143 IonicContact OE1-NH1 3.37Å; E139-R143 PolarHBondContact OE1-NH1 3.38Å
144Y97.9Very high98Very high43 Ų4350 Ų5017%0.16923%0.233CC..SBendtrans-137.8-102.2-177.8-63.1-88000109Q29 L30 E32 I35 L101 C140 L148Q29-Y144 PolarHBondContact NE2-OH 2.87Å; L30-Y144 WeakPolarHBondContact O-CE1 3.47Å; L30-Y144 PolarHBondContact O-OH 3.32Å; E32-Y144 HydrophobicContact CB-CD1 4.33Å; I35-Y144 HydrophobicContact CD1-CD2 4.44Å; I35-Y144 HydrophobicContact CD1-CE1 3.89Å; I35-Y144 HydrophobicContact CD1-CE2 3.85Å; L101-Y144 HydrophobicContact CD1-CD2 3.84Å; L101-Y144 HydrophobicContact CD1-CE2 3.79Å; C140-Y144 CarbonylContact O-C 3.52Å; C140-Y144 VanDerWaalsContact O-C 3.27Å; C140-Y144 WeakPolarHBondContact O-CA 3.2Å; C140-Y144 PolarHBondContact O-N 3.46Å; Y144-L148 HydrophobicContact CD1-CD2 4Å; Y144-L148 HydrophobicContact CD2-CD2 3.72Å; Y144-L148 HydrophobicContact CE2-CD2 4.47Å; Y144-L148 HydrophobicContact CG-CD2 3.46Å; Y144-L148 VanDerWaalsContact CG-CD2 3.46Å
145N97.9Very high98.2Very high47 Ų4749 Ų4925%0.25123%0.229SC..  trans-162.5171.1179.158.363.4000111.4E32 C140 K147 L148E32-N145 PolarHBondContact OE1-ND2 3.21Å; E32-N145 VanDerWaalsContact OE1-ND2 3.08Å; E32-N145 PolarHBondContact OE2-ND2 3.08Å; C140-N145 PolarHBondContact O-N 2.88Å; N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 3.08Å; N145-K147 WeakPolarHBondContact OD1-CA 3.39Å; N145-K147 VanDerWaalsContact OD1-CB 3.25Å; N145-K147 WeakPolarHBondContact OD1-CB 3.29Å; N145-K147 PolarHBondContact OD1-N 2.63Å; N145-L148 PolarHBondContact O-N 3.25Å; N145-L148 PolarHBondContact OD1-N 3.28Å
146I98Very high98.3Very high62 Ų6247.9 Ų47.932%0.31822%0.216SC..Hα-helixtrans-67.1-28.3179.2-63.9165.9000112Y137 K141 L148 W149 K150Y137-I146 HydrophobicContact CE2-CG1 4.13Å; Y137-I146 HydrophobicContact CE2-CG2 4Å; Y137-I146 VanDerWaalsContact OH-CD1 3.32Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.13Å; K141-I146 HydrophobicContact CB-CG1 4.22Å; K141-I146 HydrophobicContact CD-CD1 4.32Å; K141-I146 HydrophobicContact CD-CG1 4.29Å; K141-I146 HydrophobicContact CG-CD1 4.45Å; K141-I146 HydrophobicContact CG-CG1 4.03Å; I146-L148 VanDerWaalsContact C-N 3.29Å; I146-L148 PolarHBondContact O-N 3.11Å; I146-W149 PolarHBondContact O-N 3.44Å; I146-K150 PolarHBondContact O-N 3.47Å; I146-K150 VanDerWaalsContact O-N 3.12Å
147K98.4Very high98.4Very high138 Ų13848.9 Ų48.960%0.622%0.222SC*.Hα-helixtrans-65-37.1178.2-176.8179.6179.8176.10110.7N145 K150 T151N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 3.08Å; N145-K147 WeakPolarHBondContact OD1-CA 3.39Å; N145-K147 VanDerWaalsContact OD1-CB 3.25Å; N145-K147 WeakPolarHBondContact OD1-CB 3.29Å; N145-K147 PolarHBondContact OD1-N 2.63Å; K147-K150 PolarHBondContact O-N 3.29Å; K147-T151 PolarHBondContact O-N 2.9Å; K147-T151 VanDerWaalsContact O-N 3.07Å; K147-T151 PolarHBondContact O-OG1 2.87Å
148L98.4Very high98.4Very high0 Ų047.3 Ų47.30%022%0.215CC..Hα-helixtrans-64.1-43.5174.8-171.863000112.2E32 I35 K36 Y144 N145 I146 K150 T151 F152E32-L148 HydrophobicContact CG-CD1 4.22Å; I35-L148 HydrophobicContact CB-CD1 4.07Å; I35-L148 HydrophobicContact CD1-CD2 3.97Å; I35-L148 HydrophobicContact CG2-CD1 3.72Å; I35-L148 HydrophobicContact CG2-CD2 4.22Å; I35-L148 HydrophobicContact CG2-CG 4.31Å; K36-L148 HydrophobicContact CG-CD1 4.02Å; Y144-L148 HydrophobicContact CD1-CD2 4Å; Y144-L148 HydrophobicContact CD2-CD2 3.72Å; Y144-L148 HydrophobicContact CE2-CD2 4.47Å; Y144-L148 HydrophobicContact CG-CD2 3.46Å; Y144-L148 VanDerWaalsContact CG-CD2 3.46Å; N145-L148 PolarHBondContact O-N 3.25Å; N145-L148 PolarHBondContact OD1-N 3.28Å; I146-L148 VanDerWaalsContact C-N 3.29Å; I146-L148 PolarHBondContact O-N 3.11Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.01Å; L148-T151 WeakPolarHBondContact O-CA 3.18Å; L148-T151 WeakPolarHBondContact O-CB 3.46Å; L148-T151 PolarHBondContact O-N 2.94Å; L148-F152 HydrophobicContact CD1-CE2 4.39Å; L148-F152 HydrophobicContact CD2-CE2 4.34Å; L148-F152 HydrophobicContact CG-CD2 4.25Å; L148-F152 HydrophobicContact CG-CE2 4Å; L148-F152 WeakPolarHBondContact O-CD2 3.32Å; L148-F152 PolarHBondContact O-N 3.47Å
149W98.6Very high98.4Very high17 Ų1743.1 Ų43.16%0.06419%0.193CC..Hα-helixtrans-56.7-44.3173.7171.978.2000111.8A128 N131 R132 F136 Y137 C140 I146 T151 F152 T153A128-W149 HydrophobicContact CB-CH2 4.23Å; A128-W149 HydrophobicContact CB-CZ2 4.17Å; N131-W149 WeakPolarHBondContact OD1-CZ2 3.23Å; N131-W149 PolarHBondContact OD1-NE1 3.3Å; R132-W149 HydrophobicContact CB-CZ2 4.18Å; F136-W149 AromaticContact CD1-CD1 3.96Å; Y137-W149 HydrophobicContact CD2-CB 4.48Å; Y137-W149 AromaticContact CD2-CD2 3.52Å; Y137-W149 HydrophobicContact CD2-CD2 3.52Å; Y137-W149 AromaticContact CD2-CE2 3.76Å; Y137-W149 AromaticContact CD2-CE3 3.78Å; Y137-W149 HydrophobicContact CD2-CE3 3.78Å; Y137-W149 AromaticContact CD2-CG 3.82Å; Y137-W149 HydrophobicContact CD2-CG 3.82Å; Y137-W149 HydrophobicContact CD2-CH2 4.47Å; Y137-W149 HydrophobicContact CD2-CZ2 4.24Å; Y137-W149 HydrophobicContact CD2-CZ3 4.25Å; Y137-W149 HydrophobicContact CE2-CD2 4.23Å; Y137-W149 HydrophobicContact CE2-CE3 4.03Å; Y137-W149 HydrophobicContact CE2-CZ3 4.38Å; C140-W149 HydrophobicContact CB-CB 3.72Å; I146-W149 PolarHBondContact O-N 3.44Å; W149-T151 VanDerWaalsContact C-N 3.29Å; W149-T151 PolarHBondContact O-N 2.76Å; W149-F152 WeakPolarHBondContact O-CB 3.43Å; W149-F152 PolarHBondContact O-N 3.42Å; W149-F152 VanDerWaalsContact O-N 3.13Å; W149-T153 PolarHBondContact O-N 3.22Å; W149-T153 PolarHBondContact O-OG1 2.86Å
150K98.5Very high98.4Very high119 Ų11942.6 Ų42.652%0.51719%0.191SC..Hα-helixtrans-59.5-39.8174.8-67.1-178.4178.2-1750112.2I146 K147 L148 F152 T153 D154I146-K150 PolarHBondContact O-N 3.47Å; I146-K150 VanDerWaalsContact O-N 3.12Å; K147-K150 PolarHBondContact O-N 3.29Å; L148-K150 VanDerWaalsContact C-N 3.3Å; L148-K150 PolarHBondContact O-N 3.01Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-F152 PolarHBondContact O-N 2.99Å; K150-T153 WeakPolarHBondContact O-CB 3.44Å; K150-T153 PolarHBondContact O-N 2.96Å; K150-D154 VanDerWaalsContact O-CG 3.28Å; K150-D154 PolarHBondContact O-N 2.9Å
151T98.7Very high98.5Very high13 Ų1342.7 Ų42.78%0.0819%0.191CC..Hα-helixtrans-62.9-37.6175.8-57.10000112.5K36 C39 K147 L148 W149 C155K36-T151 HydrophobicContact CG-CG2 4.18Å; C39-T151 HydrophobicContact CB-CG2 3.69Å; K147-T151 PolarHBondContact O-N 2.9Å; K147-T151 VanDerWaalsContact O-N 3.07Å; K147-T151 PolarHBondContact O-OG1 2.87Å; L148-T151 WeakPolarHBondContact O-CA 3.18Å; L148-T151 WeakPolarHBondContact O-CB 3.46Å; L148-T151 PolarHBondContact O-N 2.94Å; W149-T151 VanDerWaalsContact C-N 3.29Å; W149-T151 PolarHBondContact O-N 2.76Å; T151-C155 PolarHBondContact O-N 2.83Å
152F98.8Very high98.5Very high0 Ų037.4 Ų37.40%017%0.168CC..Hα-helixtrans-65.3-45.2171.1-80.9-69.2000112.1I35 C39 L101 I104 L108 F136 L148 W149 K150 D154 C155 F156I35-F152 HydrophobicContact CG2-CE1 4.11Å; I35-F152 HydrophobicContact CG2-CE2 3.54Å; I35-F152 HydrophobicContact CG2-CZ 3.21Å; C39-F152 WeakPolarHBondContact SG-CD1 3.34Å; C39-F152 WeakPolarHBondContact SG-CE1 3.47Å; L101-F152 HydrophobicContact CD2-CD2 4.49Å; L101-F152 HydrophobicContact CD2-CE2 3.52Å; L101-F152 HydrophobicContact CD2-CZ 3.94Å; I104-F152 HydrophobicContact CB-CE1 4.49Å; I104-F152 HydrophobicContact CG1-CD1 4.39Å; I104-F152 HydrophobicContact CG1-CE1 4.19Å; I104-F152 HydrophobicContact CG2-CD1 4.13Å; I104-F152 HydrophobicContact CG2-CE1 3.44Å; I104-F152 VanDerWaalsContact CG2-CE1 3.44Å; I104-F152 HydrophobicContact CG2-CZ 3.77Å; L108-F152 HydrophobicContact CD1-CE1 4.13Å; F136-F152 HydrophobicContact CE1-CB 3.77Å; F136-F152 HydrophobicContact CE1-CD2 4.08Å; F136-F152 AromaticContact CE1-CG 3.91Å; F136-F152 HydrophobicContact CE1-CG 3.91Å; F136-F152 HydrophobicContact CZ-CB 4.07Å; F136-F152 HydrophobicContact CZ-CD1 4.12Å; F136-F152 AromaticContact CZ-CD2 3.57Å; F136-F152 HydrophobicContact CZ-CD2 3.57Å; F136-F152 HydrophobicContact CZ-CE1 4.45Å; F136-F152 AromaticContact CZ-CE2 3.92Å; F136-F152 HydrophobicContact CZ-CE2 3.92Å; F136-F152 AromaticContact CZ-CG 3.66Å; F136-F152 HydrophobicContact CZ-CG 3.66Å; F136-F152 HydrophobicContact CZ-CZ 4.33Å; L148-F152 HydrophobicContact CD1-CE2 4.39Å; L148-F152 HydrophobicContact CD2-CE2 4.34Å; L148-F152 HydrophobicContact CG-CD2 4.25Å; L148-F152 HydrophobicContact CG-CE2 4Å; L148-F152 WeakPolarHBondContact O-CD2 3.32Å; L148-F152 PolarHBondContact O-N 3.47Å; W149-F152 WeakPolarHBondContact O-CB 3.43Å; W149-F152 PolarHBondContact O-N 3.42Å; W149-F152 VanDerWaalsContact O-N 3.13Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-F152 PolarHBondContact O-N 2.99Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-D154 PolarHBondContact O-N 3.39Å; F152-C155 CarbonylContact O-C 3.49Å; F152-C155 WeakPolarHBondContact O-CA 3.25Å; F152-C155 VanDerWaalsContact O-CB 3.29Å; F152-C155 WeakPolarHBondContact O-CB 3.48Å; F152-C155 PolarHBondContact O-N 2.89Å; F152-F156 HydrophobicContact CB-CE2 4.15Å; F152-F156 HydrophobicContact CB-CZ 4.2Å; F152-F156 HydrophobicContact CD1-CE1 4.4Å; F152-F156 HydrophobicContact CD1-CZ 4.23Å; F152-F156 VanDerWaalsContact O-CG 3.27Å; F152-F156 WeakPolarHBondContact O-CG 3.46Å; F152-F156 PolarHBondContact O-N 3.45Å
153T98.7Very high98.6Very high13 Ų1329.4 Ų29.48%0.0814%0.138CC..Hα-helixtrans-55.9-44.7175.8-62.20000111.9A128 W149 K150 C155 F156 N157A128-T153 HydrophobicContact CB-CG2 3.67Å; W149-T153 PolarHBondContact O-N 3.22Å; W149-T153 PolarHBondContact O-OG1 2.86Å; K150-T153 WeakPolarHBondContact O-CB 3.44Å; K150-T153 PolarHBondContact O-N 2.96Å; T153-C155 VanDerWaalsContact C-N 3.26Å; T153-C155 PolarHBondContact O-N 3.37Å; T153-F156 PolarHBondContact O-N 3.46Å; T153-N157 PolarHBondContact O-N 3.44Å; T153-N157 PolarHBondContact O-ND2 2.9Å
154D98.7Very high98.6Very high92 Ų9228 Ų2849%0.49213%0.134SC..Hα-helixtrans-61.1-36.2176.3-65.9-25.8000112K150 F152 C158K150-D154 VanDerWaalsContact O-CG 3.28Å; K150-D154 PolarHBondContact O-N 2.9Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-D154 PolarHBondContact O-N 3.39Å; D154-C158 PolarHBondContact O-SG 2.89Å
155C98.8Very high98.7Very high2 Ų226 Ų261%0.01413%0.126CC..Hα-helixtrans-68.7-46.3173.7-173.80000111.8C39 T151 F152 T153 N157 C158C39-C155 HydrophobicContact CB-CB 4Å; T151-C155 PolarHBondContact O-N 2.83Å; F152-C155 CarbonylContact O-C 3.49Å; F152-C155 WeakPolarHBondContact O-CA 3.25Å; F152-C155 VanDerWaalsContact O-CB 3.29Å; F152-C155 WeakPolarHBondContact O-CB 3.48Å; F152-C155 PolarHBondContact O-N 2.89Å; T153-C155 VanDerWaalsContact C-N 3.26Å; T153-C155 PolarHBondContact O-N 3.37Å; C155-N157 VanDerWaalsContact C-N 3.3Å; C155-N157 PolarHBondContact O-N 3.37Å; C155-C158 VanDerWaalsContact O-CB 3.31Å; C155-C158 WeakPolarHBondContact O-CB 3.31Å; C155-C158 PolarHBondContact O-N 3.23Å
156F98.8Very high98.7Very high2 Ų226.3 Ų26.31%0.00913%0.128CC..Hα-helixtrans-62.7-35.3-179.7-66.4-18.9000113.1V94 I104 R122 E126 F136 F152 T153 C158 L159V94-F156 HydrophobicContact CG1-CZ 4.02Å; V94-F156 HydrophobicContact CG2-CE2 4.37Å; I104-F156 HydrophobicContact CD1-CE1 3.72Å; I104-F156 HydrophobicContact CD1-CZ 4.21Å; I104-F156 HydrophobicContact CG1-CE1 3.7Å; I104-F156 HydrophobicContact CG1-CZ 3.91Å; R122-F156 PolarHBondContact NE-O 2.81Å; E126-F156 HydrophobicContact CB-CB 3.99Å; E126-F156 HydrophobicContact CB-CD1 4.25Å; E126-F156 HydrophobicContact CB-CD2 4.06Å; E126-F156 HydrophobicContact CB-CG 3.85Å; E126-F156 HydrophobicContact CG-CD1 3.88Å; E126-F156 HydrophobicContact CG-CD2 4.13Å; E126-F156 HydrophobicContact CG-CE1 4.02Å; E126-F156 HydrophobicContact CG-CE2 4.25Å; E126-F156 HydrophobicContact CG-CG 3.95Å; E126-F156 HydrophobicContact CG-CZ 4.2Å; F136-F156 HydrophobicContact CD1-CE2 4.23Å; F136-F156 AromaticContact CE1-CE2 3.73Å; F136-F156 HydrophobicContact CE1-CE2 3.73Å; F136-F156 AromaticContact CE1-CZ 3.97Å; F136-F156 HydrophobicContact CE1-CZ 3.97Å; F136-F156 HydrophobicContact CZ-CZ 4.42Å; F152-F156 HydrophobicContact CB-CE2 4.15Å; F152-F156 HydrophobicContact CB-CZ 4.2Å; F152-F156 HydrophobicContact CD1-CE1 4.4Å; F152-F156 HydrophobicContact CD1-CZ 4.23Å; F152-F156 VanDerWaalsContact O-CG 3.27Å; F152-F156 WeakPolarHBondContact O-CG 3.46Å; F152-F156 PolarHBondContact O-N 3.45Å; T153-F156 PolarHBondContact O-N 3.46Å; F156-C158 PolarHBondContact O-N 2.81Å; F156-L159 HydrophobicContact CB-CD1 4.29Å; F156-L159 HydrophobicContact CD1-CD1 3.94Å; F156-L159 HydrophobicContact CG-CD1 4.45Å; F156-L159 WeakPolarHBondContact O-CB 3.26Å; F156-L159 PolarHBondContact O-N 2.8Å
157N98.8Very high98.7Very high22 Ų2231 Ų3112%0.11815%0.148CC..THydrogen-bonded Turntrans-61.1-13.9173.9-71.6-13.7000113.5R122 T153 C155 P192 T193R122-N157 PolarHBondContact NH2-OD1 3Å; T153-N157 PolarHBondContact O-N 3.44Å; T153-N157 PolarHBondContact O-ND2 2.9Å; C155-N157 VanDerWaalsContact C-N 3.3Å; C155-N157 PolarHBondContact O-N 3.37Å; N157-P192 HydrophobicContact CB-CB 3.98Å; N157-P192 VanDerWaalsContact O-CA 3.24Å; N157-P192 WeakPolarHBondContact O-CA 3.13Å; N157-T193 WeakPolarHBondContact CA-O 3.38Å; N157-T193 WeakPolarHBondContact CB-O 3.48Å; N157-T193 VanDerWaalsContact CG-O 3.32Å; N157-T193 PolarHBondContact O-N 3.14Å; N157-T193 PolarHBondContact OD1-O 3.39Å
158C98.8Very high98.7Very high0 Ų027 Ų270%013%0.131CC..THydrogen-bonded Turntrans-99.1-7.8178.4-54.70000113.5R43 F46 L47 D154 C155 F156 R191R43-C158 HydrophobicContact CG-CB 4.32Å; R43-C158 VanDerWaalsContact CG-SG 3.56Å; F46-C158 HydrophobicContact CB-CB 4.12Å; F46-C158 VanDerWaalsContact CB-O 3.27Å; F46-C158 WeakPolarHBondContact CB-O 3.49Å; L47-C158 HydrophobicContact CD2-CB 3.99Å; L47-C158 HydrophobicContact CG-CB 4.02Å; D154-C158 PolarHBondContact O-SG 2.89Å; C155-C158 VanDerWaalsContact O-CB 3.31Å; C155-C158 WeakPolarHBondContact O-CB 3.31Å; C155-C158 PolarHBondContact O-N 3.23Å; F156-C158 PolarHBondContact O-N 2.81Å; C158-R191 WeakPolarHBondContact O-CD 3.48Å; C158-R191 PolarHBondContact O-NH1 3.12Å
159L98.9Very high98.7Very high3 Ų327.2 Ų27.22%0.01613%0.132CC..  trans-62.1141.8-176.1-76165000112.1F46 L120 R122 E126 F156 R191F46-L159 HydrophobicContact CD1-CD2 4.25Å; F46-L159 HydrophobicContact CD2-CD2 4.04Å; F46-L159 HydrophobicContact CE1-CD2 3.78Å; F46-L159 HydrophobicContact CE2-CD2 3.56Å; F46-L159 HydrophobicContact CE2-CG 4.32Å; F46-L159 HydrophobicContact CG-CD2 4.38Å; F46-L159 HydrophobicContact CZ-CD2 3.43Å; F46-L159 VanDerWaalsContact CZ-CD2 3.43Å; L120-L159 HydrophobicContact CB-CD2 4.03Å; R122-L159 HydrophobicContact CB-CB 3.73Å; R122-L159 HydrophobicContact CB-CD1 4.29Å; R122-L159 HydrophobicContact CG-CB 4.11Å; R122-L159 HydrophobicContact CG-CD1 4.19Å; E126-L159 HydrophobicContact CB-CD1 3.9Å; E126-L159 HydrophobicContact CG-CD1 3.84Å; F156-L159 HydrophobicContact CB-CD1 4.29Å; F156-L159 HydrophobicContact CD1-CD1 3.94Å; F156-L159 HydrophobicContact CG-CD1 4.45Å; F156-L159 WeakPolarHBondContact O-CB 3.26Å; F156-L159 PolarHBondContact O-N 2.8Å; L159-R191 WeakPolarHBondContact O-CD 3.27Å
160P98.8Very high98.7Very high1 Ų126.4 Ų26.41%0.00613%0.129CC..  trans-57.2156.2162-2032.2000111.1I51 L53 L121 R122I51-P160 WeakPolarHBondContact O-CA 3.4Å; I51-P160 WeakPolarHBondContact O-CB 3.44Å; L53-P160 HydrophobicContact CD1-CB 4.06Å; L53-P160 HydrophobicContact CD1-CG 4.09Å; L53-P160 HydrophobicContact CD2-CB 4.15Å; L53-P160 HydrophobicContact CD2-CG 3.93Å; L53-P160 HydrophobicContact CG-CB 3.85Å; L53-P160 HydrophobicContact CG-CG 4.08Å; L121-P160 CarbonylContact C-O 3.57Å; L121-P160 WeakPolarHBondContact CA-O 3.42Å; L121-P160 HydrophobicContact CD2-CB 4.03Å; R122-P160 WeakPolarHBondContact CB-O 3.09Å; R122-P160 PolarHBondContact N-O 3.37Å
161V98.8Very high98.7Very high1 Ų120.7 Ų20.71%0.00610%0.104CC..  trans-119.4-13.9-173.8-520000113.7I51 R122 I186 L201 L204I51-V161 HydrophobicContact CD1-CG1 3.92Å; I51-V161 HydrophobicContact CD1-CG2 4.03Å; I51-V161 HydrophobicContact CG1-CB 4.5Å; I51-V161 HydrophobicContact CG1-CG1 4.08Å; I51-V161 HydrophobicContact CG1-CG2 4.01Å; I51-V161 PolarHBondContact O-N 3.26Å; R122-V161 HydrophobicContact CB-CG1 4.15Å; V161-I186 HydrophobicContact CG2-CG2 3.92Å; V161-L201 HydrophobicContact CB-CD1 4.26Å; V161-L201 HydrophobicContact CG1-CD1 3.64Å; V161-L201 HydrophobicContact CG2-CD1 4.45Å; V161-L204 HydrophobicContact CG2-CD1 3.86Å
162A98.9Very high98.7Very high0 Ų020.1 Ų20.10%010%0.1CC..EExtended strand (participates in β ladder)trans-150.3160.8175.900000110.5L52 L53 F170 C171 C172 I186L52-A162 WeakPolarHBondContact CA-O 3.36Å; L52-A162 HydrophobicContact CD1-CB 3.61Å; L53-A162 PolarHBondContact N-O 2.57Å; A162-F170 HydrophobicContact CB-CE2 3.85Å; A162-F170 HydrophobicContact CB-CZ 3.97Å; A162-C171 CarbonylContact C-O 3.51Å; A162-C171 WeakPolarHBondContact CA-O 3.5Å; A162-C171 WeakPolarHBondContact CB-O 3.39Å; A162-C172 HydrophobicContact CB-CB 4.48Å; A162-I186 HydrophobicContact CB-CD1 4.29Å; A162-I186 HydrophobicContact CB-CG2 4.43Å
163A98.9Very high98.7Very high0 Ų020.1 Ų20.10%010%0.1CC..EExtended strand (participates in β ladder)trans-135.8155.9169.500000110.3L53 L55 L88 L121 C171L53-A163 HydrophobicContact CB-CB 3.89Å; L53-A163 CarbonylContact O-C 3.38Å; L53-A163 VanDerWaalsContact O-CA 3.23Å; L53-A163 WeakPolarHBondContact O-CA 3.47Å; L55-A163 HydrophobicContact CD1-CB 3.86Å; L55-A163 HydrophobicContact CG-CB 4.35Å; L88-A163 HydrophobicContact CD1-CB 4.25Å; L88-A163 HydrophobicContact CD2-CB 3.94Å; L121-A163 HydrophobicContact CD1-CB 4.36Å; L121-A163 HydrophobicContact CD2-CB 4.27Å; A163-C171 HydrophobicContact CB-CB 4.16Å; A163-C171 PolarHBondContact N-O 3.21Å; A163-C171 PolarHBondContact O-N 3.41Å
164I98.8Very high98.7Very high13 Ų1319.5 Ų19.57%0.06710%0.096CC..EExtended strand (participates in β ladder)trans-122.1127167.4-64.6163.5000107.2L52 L53 L55 E167 I169 F170 M183 M241L52-I164 HydrophobicContact CD1-CD1 4.1Å; L52-I164 HydrophobicContact CD1-CG1 4.09Å; L52-I164 HydrophobicContact CD2-CD1 3.92Å; L52-I164 HydrophobicContact CG-CD1 4.28Å; L53-I164 PolarHBondContact O-N 3.13Å; L55-I164 PolarHBondContact N-O 3.31Å; I164-E167 VanDerWaalsContact CG2-CA 3.45Å; I164-I169 CarbonylContact C-O 3.5Å; I164-I169 VanDerWaalsContact CA-O 3.27Å; I164-I169 WeakPolarHBondContact CA-O 3.44Å; I164-F170 HydrophobicContact CG1-CD2 4.1Å; I164-M183 HydrophobicContact CD1-CG 4.14Å; I164-M183 HydrophobicContact CD1-SD 4.27Å; I164-M241 HydrophobicContact CD1-CE 3.53Å; I164-M241 HydrophobicContact CG1-CE 3.77Å; I164-M241 HydrophobicContact CG2-CE 3.94Å
165I98.7Very high98.7Very high0 Ų015.1 Ų15.10%07%0.073CC..EExtended strand (participates in β ladder)trans-102.8123.9177.1-53.7170.2000108.7L55 A57 L59 L61 L88 E167 K168 I169 L289L55-I165 HydrophobicContact CB-CG1 4.36Å; L55-I165 CarbonylContact O-C 3.56Å; L55-I165 WeakPolarHBondContact O-CA 3.33Å; A57-I165 HydrophobicContact CB-CG2 4.38Å; L59-I165 HydrophobicContact CD1-CB 4.47Å; L59-I165 HydrophobicContact CD1-CD1 3.77Å; L59-I165 HydrophobicContact CD1-CG1 3.82Å; L59-I165 HydrophobicContact CD1-CG2 3.86Å; L61-I165 HydrophobicContact CD1-CD1 3.83Å; L61-I165 HydrophobicContact CD2-CD1 3.85Å; L61-I165 HydrophobicContact CG-CD1 4.23Å; L88-I165 HydrophobicContact CD2-CD1 4.13Å; I165-E167 PolarHBondContact O-N 3.38Å; I165-E167 VanDerWaalsContact O-N 3.08Å; I165-K168 PolarHBondContact O-N 2.98Å; I165-I169 HydrophobicContact CB-CB 4.19Å; I165-I169 PolarHBondContact N-O 2.86Å; I165-I169 PolarHBondContact O-N 2.89Å; I165-L289 HydrophobicContact CG2-CD2 4.44Å
166D98.1Very high98.7Very high55 Ų5515.1 Ų15.129%0.2947%0.073SC..THydrogen-bonded Turntrans43.241.1-178.4-59.8-57.1000113.4L55 E56 A57 K168 L289L55-D166 PolarHBondContact O-N 3.23Å; E56-D166 WeakPolarHBondContact CA-OD1 3.18Å; A57-D166 WeakPolarHBondContact CB-OD2 3.27Å; A57-D166 PolarHBondContact N-OD2 3.01Å; D166-K168 WeakPolarHBondContact O-CG 3.49Å; D166-K168 PolarHBondContact O-N 3.45Å; D166-L289 HydrophobicContact CB-CD1 4.17Å; D166-L289 HydrophobicContact CB-CD2 3.97Å; D166-L289 HydrophobicContact CB-CG 4.4Å; D166-L289 WeakPolarHBondContact OD2-CD2 3.05Å
167E98.1Very high98.7Very high161 Ų16115.2 Ų15.275%0.7527%0.074SC*.THydrogen-bonded Turntrans601.6-178.3-53.2-176.3125.400115.5I164 I165 M241I164-E167 VanDerWaalsContact CG2-CA 3.45Å; I165-E167 PolarHBondContact O-N 3.38Å; I165-E167 VanDerWaalsContact O-N 3.08Å; E167-M241 WeakPolarHBondContact O-CG 3.29Å
168K98.5Very high98.6Very high53 Ų5315.6 Ų15.623%0.238%0.078CC..THydrogen-bonded Turntrans-116.5-26-169.9-69.5-50.9-176-179.50115.5I165 D166 D240 M241 D242 L243 L289I165-K168 PolarHBondContact O-N 2.98Å; D166-K168 WeakPolarHBondContact O-CG 3.49Å; D166-K168 PolarHBondContact O-N 3.45Å; K168-D240 PolarHBondContact NZ-O 2.76Å; K168-D240 IonicContact NZ-OD1 3.83Å; K168-D240 IonicContact NZ-OD2 3.3Å; K168-D240 PolarHBondContact NZ-OD2 3.32Å; K168-M241 WeakPolarHBondContact O-CB 3.41Å; K168-D242 WeakPolarHBondContact CD-OD2 3.34Å; K168-D242 PolarHBondContact O-N 3.31Å; K168-L243 PolarHBondContact O-N 2.87Å; K168-L289 HydrophobicContact CB-CD1 3.66Å; K168-L289 HydrophobicContact CG-CD1 3.8Å
169I98.8Very high98.6Very high4 Ų419.5 Ų19.52%0.02110%0.098CC..EExtended strand (participates in β ladder)trans-115.3114.8-179.1-49.8178.7000110I164 I165 L243 C245 V285 L289I164-I169 CarbonylContact C-O 3.5Å; I164-I169 VanDerWaalsContact CA-O 3.27Å; I164-I169 WeakPolarHBondContact CA-O 3.44Å; I165-I169 HydrophobicContact CB-CB 4.19Å; I165-I169 PolarHBondContact N-O 2.86Å; I165-I169 PolarHBondContact O-N 2.89Å; I169-L243 WeakPolarHBondContact CA-O 3.22Å; I169-L243 HydrophobicContact CD1-CD2 4.36Å; I169-L243 HydrophobicContact CG1-CB 4.29Å; I169-L243 HydrophobicContact CG2-CB 4.2Å; I169-L243 HydrophobicContact CG2-CD2 4.15Å; I169-L243 HydrophobicContact CG2-CG 4.24Å; I169-C245 HydrophobicContact CG2-CB 4.08Å; I169-V285 HydrophobicContact CD1-CG1 3.89Å; I169-V285 HydrophobicContact CD1-CG2 3.99Å; I169-L289 HydrophobicContact CD1-CD2 4.08Å
170F98.8Very high98.5Very high0 Ų019.5 Ų19.50%010%0.098CC..EExtended strand (participates in β ladder)trans-86.5126.7173-179.5-105.5000110.9L52 A162 I164 C172 L176 L180 M183 I186 L204 F235 M241 L243 I244 C245L52-F170 HydrophobicContact CD1-CE2 4.42Å; A162-F170 HydrophobicContact CB-CE2 3.85Å; A162-F170 HydrophobicContact CB-CZ 3.97Å; I164-F170 HydrophobicContact CG1-CD2 4.1Å; F170-C172 HydrophobicContact CE1-CB 4.09Å; F170-C172 HydrophobicContact CZ-CB 4.33Å; F170-L176 HydrophobicContact CD1-CD2 4.48Å; F170-L176 HydrophobicContact CE1-CD2 4.25Å; F170-L180 HydrophobicContact CZ-CD2 4.44Å; F170-M183 HydrophobicContact CD2-SD 4.08Å; F170-M183 HydrophobicContact CE2-CE 4.44Å; F170-M183 HydrophobicContact CE2-SD 3.81Å; F170-I186 HydrophobicContact CE2-CD1 3.87Å; F170-I186 HydrophobicContact CZ-CD1 3.92Å; F170-L204 HydrophobicContact CZ-CD2 4.07Å; F170-F235 HydrophobicContact CB-CE1 4.1Å; F170-F235 HydrophobicContact CB-CZ 4.47Å; F170-F235 AromaticContact CD1-CE1 3.99Å; F170-F235 HydrophobicContact CD1-CE1 3.99Å; F170-F235 AromaticContact CD1-CZ 3.9Å; F170-F235 HydrophobicContact CD1-CZ 3.9Å; F170-F235 HydrophobicContact CD2-CZ 4.29Å; F170-F235 HydrophobicContact CE1-CZ 4.19Å; F170-F235 HydrophobicContact CG-CE1 4.03Å; F170-F235 AromaticContact CG-CZ 3.96Å; F170-F235 HydrophobicContact CG-CZ 3.96Å; F170-M241 HydrophobicContact CB-SD 3.79Å; F170-L243 PolarHBondContact N-O 3.38Å; F170-I244 HydrophobicContact CD1-CG2 4.26Å; F170-I244 CarbonylContact O-C 3.48Å; F170-I244 VanDerWaalsContact O-CA 3.3Å; F170-I244 WeakPolarHBondContact O-CA 3.48Å; F170-C245 PolarHBondContact O-N 2.7Å
171C98.9Very high98.5Very high0 Ų024.1 Ų24.10%012%0.12CC..EExtended strand (participates in β ladder)trans-119.7132.9-176.6-62.30000111.3L88 L90 L121 A162 A163 C245L88-C171 HydrophobicContact CD2-CB 3.84Å; L90-C171 HydrophobicContact CD2-CB 3.93Å; L121-C171 HydrophobicContact CD1-CB 4.33Å; A162-C171 CarbonylContact C-O 3.51Å; A162-C171 WeakPolarHBondContact CA-O 3.5Å; A162-C171 WeakPolarHBondContact CB-O 3.39Å; A163-C171 HydrophobicContact CB-CB 4.16Å; A163-C171 PolarHBondContact N-O 3.21Å; A163-C171 PolarHBondContact O-N 3.41Å; C171-C245 VanDerWaalsContact CA-O 3.26Å; C171-C245 WeakPolarHBondContact CA-O 3.29Å
172C98.8Very high98.4Very high0 Ų027.2 Ų27.20%014%0.139CC..EExtended strand (participates in β ladder)trans-154.7173.8172.161.30000109.9A162 F170 G175 C245 R246A162-C172 HydrophobicContact CB-CB 4.48Å; F170-C172 HydrophobicContact CE1-CB 4.09Å; F170-C172 HydrophobicContact CZ-CB 4.33Å; C172-G175 VanDerWaalsContact SG-CA 3.51Å; C172-G175 PolarHBondContact SG-N 2.98Å; C172-C245 PolarHBondContact N-O 3.33Å; C172-R246 VanDerWaalsContact O-CA 3.25Å; C172-R246 WeakPolarHBondContact O-CA 3.42Å
173H98.8Very high98.4Very high0 Ų027.8 Ų27.80%014%0.142CC..SBendtrans-75.3-61.8176.6-172.256.6000112D64 L90 D92 R122 G123 N124 L205 R246 A247 H248D64-H173 IonicContact OD2-CE1 2.81Å; L90-H173 VanDerWaalsContact O-CB 3.24Å; L90-H173 WeakPolarHBondContact O-CB 3.45Å; L90-H173 PolarHBondContact O-ND1 3.21Å; D92-H173 IonicContact OD1-CD2 3.42Å; D92-H173 IonicContact OD1-CE1 2.71Å; D92-H173 IonicContact OD1-NE2 3.85Å; D92-H173 PolarHBondContact OD1-NE2 3.36Å; D92-H173 VanDerWaalsContact OD1-NE2 3.12Å; D92-H173 IonicContact OD2-CE1 3.23Å; D92-H173 PolarHBondContact OD2-CE1 3.02Å; D92-H173 VanDerWaalsContact OD2-CE1 3.3Å; D92-H173 IonicContact OD2-NE2 2.79Å; D92-H173 PolarHBondContact OD2-NE2 3.19Å; R122-H173 WeakPolarHBondContact O-CB 3.4Å; G123-H173 VanDerWaalsContact CA-CD2 3.44Å; G123-H173 WeakPolarHBondContact CA-CD2 3.34Å; N124-H173 PolarHBondContact N-CD2 2.83Å; N124-H173 PolarHBondContact OD1-CD2 2.82Å; N124-H173 PolarHBondContact OD1-NE2 3.35Å; H173-L205 HydrophobicContact CB-CD2 4.16Å; H173-R246 PolarHBondContact O-NE 2.83Å; H173-A247 CarbonylContact O-C 3.53Å; H173-A247 PolarHBondContact O-N 3.06Å; H173-H248 AromaticContact CD2-CG 3.97Å; H173-H248 AromaticContact CD2-ND1 3.66Å; H173-H248 AromaticContact NE2-CG 3.78Å; H173-H248 AromaticContact NE2-ND1 3.27Å; H173-H248 PolarHBondContact NE2-ND1 2.91Å; H173-H248 WeakPolarHBondContact O-CB 3.46Å
174G98.6Very high98.4Very high0 Ų031.2 Ų31.20%016%0.158CC..SBendtrans-83.6-75.7-175.600000111.7L204 S207 R246G174-L204 VanDerWaalsContact CA-O 3.28Å; G174-L204 WeakPolarHBondContact CA-O 3.49Å; G174-L204 PolarHBondContact N-O 2.86Å; G174-S207 CarbonylContact C-O 3.46Å; G174-S207 VanDerWaalsContact C-O 3.31Å; G174-R246 PolarHBondContact O-NE 2.66Å; G174-R246 PolarHBondContact O-NH2 3.46Å
175G98.1Very high98.4Very high0 Ų033.7 Ų33.70%017%0.169CC..  trans168.2-140.4-175.500000113.4C172 L204 S207C172-G175 VanDerWaalsContact SG-CA 3.51Å; C172-G175 PolarHBondContact SG-N 2.98Å; G175-L204 PolarHBondContact N-O 3.35Å; G175-L204 WeakPolarHBondContact O-CD2 3.29Å; G175-S207 WeakPolarHBondContact CA-OG 3.31Å; G175-S207 PolarHBondContact N-OG 2.92Å
176L98.6Very high98.4Very high2 Ų233.7 Ų33.71%0.0117%0.169CC..  trans-92.8155.7-174.6-60.8-179.1000111.9F170 S207 W216 F227 V231 V232 F235 I244F170-L176 HydrophobicContact CD1-CD2 4.48Å; F170-L176 HydrophobicContact CE1-CD2 4.25Å; L176-S207 PolarHBondContact N-OG 3.13Å; L176-S207 VanDerWaalsContact N-OG 3.13Å; L176-S207 VanDerWaalsContact O-CB 3.25Å; L176-S207 WeakPolarHBondContact O-CB 3.46Å; L176-S207 PolarHBondContact O-OG 2.78Å; L176-W216 HydrophobicContact CB-CH2 3.75Å; L176-W216 HydrophobicContact CB-CZ3 4.47Å; L176-W216 WeakPolarHBondContact O-CZ3 2.89Å; L176-F227 HydrophobicContact CB-CD1 4.29Å; L176-F227 HydrophobicContact CB-CE1 4.29Å; L176-F227 HydrophobicContact CB-CG 4.45Å; L176-F227 HydrophobicContact CB-CZ 4.45Å; L176-F227 HydrophobicContact CD1-CD2 4.36Å; L176-F227 HydrophobicContact CD1-CE2 4.3Å; L176-F227 HydrophobicContact CG-CE2 4.36Å; L176-F227 HydrophobicContact CG-CZ 4.37Å; L176-V231 HydrophobicContact CD1-CG1 3.98Å; L176-V232 HydrophobicContact CD1-CG2 4.35Å; L176-F235 HydrophobicContact CD1-CB 3.78Å; L176-F235 HydrophobicContact CD1-CD1 4.36Å; L176-F235 HydrophobicContact CD1-CD2 4.29Å; L176-F235 HydrophobicContact CD1-CG 3.89Å; L176-F235 HydrophobicContact CD2-CD1 3.93Å; L176-F235 HydrophobicContact CD2-CD2 3.64Å; L176-F235 HydrophobicContact CD2-CE1 3.94Å; L176-F235 HydrophobicContact CD2-CE2 3.65Å; L176-F235 HydrophobicContact CD2-CG 3.77Å; L176-F235 HydrophobicContact CD2-CZ 3.8Å; L176-F235 HydrophobicContact CG-CG 4.5Å; L176-I244 HydrophobicContact CD1-CD1 3.74Å; L176-I244 HydrophobicContact CD2-CD1 3.92Å; L176-I244 HydrophobicContact CG-CD1 4.02Å
177S98.6Very high98.4Very high4 Ų435.8 Ų35.83%0.02817%0.173CC..  trans-117.2142.7173.9178.70000110.7D179 L180 D203 W216S177-D179 PolarHBondContact O-N 3.03Å; S177-D179 PolarHBondContact OG-N 3.17Å; S177-D179 VanDerWaalsContact OG-N 3.12Å; S177-L180 WeakPolarHBondContact O-CB 3.36Å; S177-L180 PolarHBondContact O-N 2.78Å; S177-L180 VanDerWaalsContact O-N 3.1Å; S177-D203 VanDerWaalsContact CB-CB 3.45Å; S177-D203 WeakPolarHBondContact CB-OD2 3.38Å; S177-D203 PolarHBondContact OG-OD2 3.29Å; S177-W216 VanDerWaalsContact C-CZ2 3.49Å
178P98Very high98.4Very high31 Ų3136.6 Ų36.620%0.20117%0.169CC..THydrogen-bonded Turntrans-61.5-25.4169.126.2-33.8000112L180 Q181 W216 Y225P178-L180 VanDerWaalsContact C-N 3.3Å; P178-L180 PolarHBondContact O-N 3.1Å; P178-Q181 PolarHBondContact O-NE2 3.06Å; P178-W216 VanDerWaalsContact CA-CZ2 3.44Å; P178-W216 HydrophobicContact CB-CD2 3.97Å; P178-W216 HydrophobicContact CB-CE3 4.44Å; P178-W216 HydrophobicContact CB-CG 4.35Å; P178-W216 HydrophobicContact CB-CZ2 4.04Å; P178-W216 HydrophobicContact CG-CD2 4.42Å; P178-W216 HydrophobicContact CG-CE3 4.45Å; P178-W216 VanDerWaalsContact N-CZ2 3.34Å; P178-Y225 HydrophobicContact CG-CD2 3.76Å; P178-Y225 HydrophobicContact CG-CE2 3.57Å; P178-Y225 HydrophobicContact CG-CG 4.42Å
179D97.5Very high98.4Very high81 Ų8135.5 Ų35.543%0.43317%0.165SC..THydrogen-bonded Turntrans-78.4-14.1178-64.9-21.4000112.5S177 Q181 Q185 L200S177-D179 PolarHBondContact O-N 3.03Å; S177-D179 PolarHBondContact OG-N 3.17Å; S177-D179 VanDerWaalsContact OG-N 3.12Å; D179-Q181 PolarHBondContact O-N 3.27Å; D179-Q185 PolarHBondContact O-NE2 3.08Å; D179-Q185 PolarHBondContact O-OE1 3.45Å; D179-L200 HydrophobicContact CB-CB 4.47Å
180L98.3Very high98.3Very high3 Ų342.4 Ų42.42%0.01620%0.2CC..  trans-83.4101.4-177-172.956.5000111.9F170 S177 P178 T182 M183 I186 L200 L204 F235 R238F170-L180 HydrophobicContact CZ-CD2 4.44Å; S177-L180 WeakPolarHBondContact O-CB 3.36Å; S177-L180 PolarHBondContact O-N 2.78Å; S177-L180 VanDerWaalsContact O-N 3.1Å; P178-L180 VanDerWaalsContact C-N 3.3Å; P178-L180 PolarHBondContact O-N 3.1Å; L180-T182 WeakPolarHBondContact CD1-O 3.34Å; L180-M183 HydrophobicContact CD1-CE 4.13Å; L180-M183 HydrophobicContact CD2-CE 4.03Å; L180-M183 HydrophobicContact CG-CE 4.14Å; L180-I186 HydrophobicContact CD1-CD1 3.97Å; L180-I186 HydrophobicContact CD1-CG1 3.74Å; L180-I186 HydrophobicContact CD2-CD1 4.06Å; L180-L200 HydrophobicContact CB-CD1 3.77Å; L180-L200 HydrophobicContact CD1-CD1 4.08Å; L180-L200 HydrophobicContact CD1-CD2 4.44Å; L180-L200 HydrophobicContact CD2-CD1 4.41Å; L180-L200 HydrophobicContact CG-CD1 4.3Å; L180-L204 HydrophobicContact CD2-CD2 4.23Å; L180-F235 HydrophobicContact CD2-CE2 3.7Å; L180-F235 HydrophobicContact CD2-CZ 4.36Å; L180-F235 HydrophobicContact CG-CE2 4.16Å; L180-R238 PolarHBondContact O-NH1 2.83Å
181Q97.4Very high98.3Very high98 Ų9844.4 Ų44.446%0.45821%0.207SC..SBendtrans-110.4-29.8177-55.4-56-39.400112.5P178 D179 R238 H239P178-Q181 PolarHBondContact O-NE2 3.06Å; D179-Q181 PolarHBondContact O-N 3.27Å; Q181-R238 WeakPolarHBondContact O-CD 3.42Å; Q181-R238 VanDerWaalsContact OE1-CZ 3.3Å; Q181-H239 PolarHBondContact O-CE1 3.38Å; Q181-H239 VanDerWaalsContact O-CE1 3.27Å
182T98Very high98.3Very high66 Ų6648.1 Ų48.141%0.40523%0.231SC..  trans-141.2143.5177.8171.30000110.8L180 E184 Q185L180-T182 WeakPolarHBondContact CD1-O 3.34Å; T182-E184 HydrophobicContact CG2-CB 4.1Å; T182-E184 PolarHBondContact O-N 3.3Å; T182-E184 VanDerWaalsContact O-N 3.13Å; T182-E184 PolarHBondContact OG1-N 2.88Å; T182-Q185 HydrophobicContact CG2-CG 3.78Å; T182-Q185 WeakPolarHBondContact O-CB 3.39Å; T182-Q185 PolarHBondContact O-N 2.82Å; T182-Q185 PolarHBondContact O-OE1 3.12Å
183M98.4Very high98.3Very high13 Ų1350.3 Ų50.36%0.06425%0.245CC..Hα-helixtrans-59.8-22.8174.7-67.1-55.9116.200112.7L52 I164 F170 L180 Q185 I186 R187 F235L52-M183 HydrophobicContact CD2-CB 3.86Å; L52-M183 HydrophobicContact CD2-CG 4.4Å; L52-M183 HydrophobicContact CD2-SD 4.39Å; I164-M183 HydrophobicContact CD1-CG 4.14Å; I164-M183 HydrophobicContact CD1-SD 4.27Å; F170-M183 HydrophobicContact CD2-SD 4.08Å; F170-M183 HydrophobicContact CE2-CE 4.44Å; F170-M183 HydrophobicContact CE2-SD 3.81Å; L180-M183 HydrophobicContact CD1-CE 4.13Å; L180-M183 HydrophobicContact CD2-CE 4.03Å; L180-M183 HydrophobicContact CG-CE 4.14Å; M183-Q185 PolarHBondContact O-N 3.1Å; M183-I186 WeakPolarHBondContact O-CB 3.32Å; M183-I186 PolarHBondContact O-N 3.29Å; M183-I186 HydrophobicContact SD-CD1 3.99Å; M183-R187 PolarHBondContact O-N 3.25Å; M183-R187 VanDerWaalsContact O-N 3.16Å; M183-F235 HydrophobicContact CE-CE2 3.53Å; M183-F235 HydrophobicContact CE-CZ 3.48Å; M183-F235 VanDerWaalsContact CE-CZ 3.48Å
184E98.3Very high98.2Very high71 Ų7154.3 Ų54.333%0.33227%0.266SS..Hα-helixtrans-60.3-28.7173.2-178.556.8-163.700112.8T182 I186 R187 R188T182-E184 HydrophobicContact CG2-CB 4.1Å; T182-E184 PolarHBondContact O-N 3.3Å; T182-E184 VanDerWaalsContact O-N 3.13Å; T182-E184 PolarHBondContact OG1-N 2.88Å; E184-I186 VanDerWaalsContact C-N 3.31Å; E184-I186 PolarHBondContact O-N 3Å; E184-R187 PolarHBondContact O-N 3.21Å; E184-R188 VanDerWaalsContact O-CG 3.31Å; E184-R188 WeakPolarHBondContact O-CG 3.25Å; E184-R188 PolarHBondContact O-N 3.48Å; E184-R188 VanDerWaalsContact O-N 3.13Å; E184-R188 IonicContact OE1-CZ 2.8Å; E184-R188 IonicContact OE1-NE 2.74Å; E184-R188 PolarHBondContact OE1-NE 2.94Å; E184-R188 IonicContact OE1-NH2 3.48Å; E184-R188 PolarHBondContact OE1-NH2 3.23Å
185Q98.6Very high98.1Very high66 Ų6654.9 Ų54.931%0.30827%0.269SS..Hα-helixtrans-64.9-36.9174.6-70.4166.8-72.400111.8D179 T182 M183 L200D179-Q185 PolarHBondContact O-NE2 3.08Å; D179-Q185 PolarHBondContact O-OE1 3.45Å; T182-Q185 HydrophobicContact CG2-CG 3.78Å; T182-Q185 WeakPolarHBondContact O-CB 3.39Å; T182-Q185 PolarHBondContact O-N 2.82Å; T182-Q185 PolarHBondContact O-OE1 3.12Å; M183-Q185 PolarHBondContact O-N 3.1Å; Q185-L200 HydrophobicContact CB-CD2 3.7Å
186I98.7Very high98Very high0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-67.7-46.8174.8-54.5-177.7000109.4I51 L52 V161 A162 F170 L180 M183 E184 R188 I189 L200 L204I51-I186 HydrophobicContact CG2-CG2 4.39Å; I51-I186 WeakPolarHBondContact CG2-O 3.42Å; L52-I186 HydrophobicContact CB-CG2 4.01Å; V161-I186 HydrophobicContact CG2-CG2 3.92Å; A162-I186 HydrophobicContact CB-CD1 4.29Å; A162-I186 HydrophobicContact CB-CG2 4.43Å; F170-I186 HydrophobicContact CE2-CD1 3.87Å; F170-I186 HydrophobicContact CZ-CD1 3.92Å; L180-I186 HydrophobicContact CD1-CD1 3.97Å; L180-I186 HydrophobicContact CD1-CG1 3.74Å; L180-I186 HydrophobicContact CD2-CD1 4.06Å; M183-I186 WeakPolarHBondContact O-CB 3.32Å; M183-I186 PolarHBondContact O-N 3.29Å; M183-I186 HydrophobicContact SD-CD1 3.99Å; E184-I186 VanDerWaalsContact C-N 3.31Å; E184-I186 PolarHBondContact O-N 3Å; I186-R188 PolarHBondContact O-N 3.17Å; I186-R188 VanDerWaalsContact O-N 3.11Å; I186-I189 HydrophobicContact CG2-CD1 4.4Å; I186-I189 WeakPolarHBondContact O-CB 3.43Å; I186-I189 WeakPolarHBondContact O-CG1 3.44Å; I186-I189 PolarHBondContact O-N 3.23Å; I186-L200 HydrophobicContact CG1-CD2 4.31Å; I186-L204 HydrophobicContact CD1-CD1 4.09Å; I186-L204 HydrophobicContact CD1-CD2 4.28Å; I186-L204 HydrophobicContact CG1-CD1 4.13Å; I186-L204 HydrophobicContact CG2-CD1 4.4Å
187R98.5Very high97.8Very high99 Ų9964.3 Ų64.337%0.37432%0.323SS..Hα-helixtrans-57.3-28-179.7-66.3-172.1-178.391.5-0.5113.6L52 E54 M183 E184L52-R187 HydrophobicContact CB-CG 4.14Å; L52-R187 HydrophobicContact CD2-CG 4.03Å; E54-R187 IonicContact OE1-CZ 3.78Å; E54-R187 IonicContact OE1-NE 3.83Å; E54-R187 IonicContact OE1-NH2 3.23Å; E54-R187 PolarHBondContact OE1-NH2 2.96Å; M183-R187 PolarHBondContact O-N 3.25Å; M183-R187 VanDerWaalsContact O-N 3.16Å; E184-R187 PolarHBondContact O-N 3.21Å
188R98.1Very high97.7Very high177 Ų17771.7 Ų71.767%0.66836%0.357SS*.THydrogen-bonded Turntrans-84.6-6.3179.2-70.9175.9-175.1-172.83.1115E184 I186 M190E184-R188 VanDerWaalsContact O-CG 3.31Å; E184-R188 WeakPolarHBondContact O-CG 3.25Å; E184-R188 PolarHBondContact O-N 3.48Å; E184-R188 VanDerWaalsContact O-N 3.13Å; E184-R188 IonicContact OE1-CZ 2.8Å; E184-R188 IonicContact OE1-NE 2.74Å; E184-R188 PolarHBondContact OE1-NE 2.94Å; E184-R188 IonicContact OE1-NH2 3.48Å; E184-R188 PolarHBondContact OE1-NH2 3.23Å; I186-R188 PolarHBondContact O-N 3.17Å; I186-R188 VanDerWaalsContact O-N 3.11Å; R188-M190 PolarHBondContact O-N 3.36Å
189I98.3Very high97.7Very high30 Ų3071.1 Ų71.115%0.15436%0.357CS..  trans-67.2117.6175.3-62169.9000108.4I51 I186 T193 L200 L201 L204I51-I189 HydrophobicContact CD1-CB 3.62Å; I51-I189 HydrophobicContact CD1-CG2 3.49Å; I51-I189 VanDerWaalsContact CD1-CG2 3.49Å; I186-I189 HydrophobicContact CG2-CD1 4.4Å; I186-I189 WeakPolarHBondContact O-CB 3.43Å; I186-I189 WeakPolarHBondContact O-CG1 3.44Å; I186-I189 PolarHBondContact O-N 3.23Å; I189-T193 HydrophobicContact CG2-CG2 4.4Å; I189-L200 HydrophobicContact CD1-CD2 4.14Å; I189-L200 HydrophobicContact CD1-CG 4.25Å; I189-L201 HydrophobicContact CD1-CB 4.33Å; I189-L201 HydrophobicContact CG2-CD2 4.29Å; I189-L204 HydrophobicContact CD1-CD1 4.49Å
190M97.9Very high97.8Very high150 Ų15068.4 Ų68.474%0.73934%0.342SS*.  trans-72.8144.3-179-66.5-62.4-65.100111.4R188 T193R188-M190 PolarHBondContact O-N 3.36Å; M190-T193 WeakPolarHBondContact O-CB 3.26Å; M190-T193 VanDerWaalsContact O-CG2 3.26Å; M190-T193 WeakPolarHBondContact O-CG2 3.24Å
191R98.1Very high97.8Very high42 Ų4268.8 Ų68.816%0.15834%0.344CS..SBendtrans-128.2147.8172.1-69.6-178.5-64.7157.87.1110.7F46 L47 Q49 P50 I51 C158 L159F46-R191 VanDerWaalsContact O-CZ 3.29Å; F46-R191 PolarHBondContact O-NH1 3.07Å; F46-R191 PolarHBondContact O-NH2 3.32Å; F46-R191 VanDerWaalsContact O-NH2 3.1Å; L47-R191 HydrophobicContact CD2-CB 3.9Å; Q49-R191 PolarHBondContact O-NH2 3.18Å; P50-R191 VanDerWaalsContact C-NH2 3.34Å; I51-R191 HydrophobicContact CD1-CG 3.81Å; I51-R191 HydrophobicContact CG1-CG 4.29Å; C158-R191 WeakPolarHBondContact O-CD 3.48Å; C158-R191 PolarHBondContact O-NH1 3.12Å; L159-R191 WeakPolarHBondContact O-CD 3.27Å
192P98.6Very high97.8Very high78 Ų7864.1 Ų64.151%0.50632%0.323SS..SBendcis-70147.5-1.929.1-34.5000112.9N157N157-P192 HydrophobicContact CB-CB 3.98Å; N157-P192 VanDerWaalsContact O-CA 3.24Å; N157-P192 WeakPolarHBondContact O-CA 3.13Å
193T98.2Very high97.9Very high46 Ų4661 Ų6128%0.28230%0.304SS..  trans-144.7147.9175.6-174.20000111.2R122 N157 I189 M190 L201R122-T193 PolarHBondContact NH1-O 2.9Å; N157-T193 WeakPolarHBondContact CA-O 3.38Å; N157-T193 WeakPolarHBondContact CB-O 3.48Å; N157-T193 VanDerWaalsContact CG-O 3.32Å; N157-T193 PolarHBondContact O-N 3.14Å; N157-T193 PolarHBondContact OD1-O 3.39Å; I189-T193 HydrophobicContact CG2-CG2 4.4Å; M190-T193 WeakPolarHBondContact O-CB 3.26Å; M190-T193 VanDerWaalsContact O-CG2 3.26Å; M190-T193 WeakPolarHBondContact O-CG2 3.24Å; T193-L201 HydrophobicContact CG2-CD2 3.59Å
194D96.9Very high97.9Very high83 Ų8360.4 Ų60.444%0.44430%0.301SS..PPolyproline II helixtrans-75.3166.4162.9-154.2-1.9000110.1P196D194-P196 WeakPolarHBondContact O-CD 3.29Å
195V97.2Very high97.9Very high12 Ų1257 Ų577%0.07329%0.285CS..PPolyproline II helixtrans-85.4117.4174.3-176.10000108.9C127 L205C127-V195 HydrophobicContact CB-CB 4.33Å; C127-V195 HydrophobicContact CB-CG2 3.86Å; V195-L205 HydrophobicContact CG1-CD1 3.97Å; V195-L205 HydrophobicContact CG2-CD1 3.65Å
196P96.6Very high97.9Very high56 Ų5654.5 Ų54.536%0.36427%0.272SS..PPolyproline II helixtrans-69.4159.7176.230.7-35.5000111.4D194 Q198 L201 C202D194-P196 WeakPolarHBondContact O-CD 3.29Å; P196-Q198 WeakPolarHBondContact CG-O 3.43Å; P196-Q198 PolarHBondContact O-N 2.93Å; P196-L201 HydrophobicContact CG-CB 4.24Å; P196-C202 WeakPolarHBondContact O-CB 3.46Å; P196-C202 PolarHBondContact O-SG 2.9Å
197D94.2Very high97.9Very high144 Ų14454.5 Ų54.577%0.7727%0.272SS*.SBendtrans-73-9.5178.2-65-38.3000113.6V223D197-V223 WeakPolarHBondContact O-CG2 3.41Å
198Q96.6Very high97.9Very high159 Ų15949.8 Ų49.874%0.74326%0.255SS*.SBendtrans-155.5165.4179.164.7-1782200112.1P196P196-Q198 WeakPolarHBondContact CG-O 3.43Å; P196-Q198 PolarHBondContact O-N 2.93Å
199G97.6Very high97.9Very high20 Ų2042 Ų4221%0.20623%0.227CC..SBendtrans89.9-177.8175.100000113.7L201 C202 D203G199-L201 PolarHBondContact O-N 3.09Å; G199-L201 VanDerWaalsContact O-N 3.16Å; G199-C202 WeakPolarHBondContact O-CA 3.49Å; G199-C202 WeakPolarHBondContact O-CB 3.37Å; G199-C202 PolarHBondContact O-N 2.73Å; G199-D203 PolarHBondContact O-N 3.01Å
200L98.5Very high97.8Very high23 Ų2342.7 Ų42.712%0.1223%0.231CC..Hα-helixtrans-45.3-52.4-169.1179.358.3000115.5D179 L180 Q185 I186 I189 C202 D203 L204D179-L200 HydrophobicContact CB-CB 4.47Å; L180-L200 HydrophobicContact CB-CD1 3.77Å; L180-L200 HydrophobicContact CD1-CD1 4.08Å; L180-L200 HydrophobicContact CD1-CD2 4.44Å; L180-L200 HydrophobicContact CD2-CD1 4.41Å; L180-L200 HydrophobicContact CG-CD1 4.3Å; Q185-L200 HydrophobicContact CB-CD2 3.7Å; I186-L200 HydrophobicContact CG1-CD2 4.31Å; I189-L200 HydrophobicContact CD1-CD2 4.14Å; I189-L200 HydrophobicContact CD1-CG 4.25Å; L200-C202 VanDerWaalsContact C-N 3.3Å; L200-C202 PolarHBondContact O-N 3.24Å; L200-D203 PolarHBondContact O-N 3.19Å; L200-L204 HydrophobicContact CD1-CD1 4Å; L200-L204 HydrophobicContact CD1-CD2 4.43Å; L200-L204 HydrophobicContact CD1-CG 3.99Å; L200-L204 HydrophobicContact CG-CD1 4.12Å; L200-L204 VanDerWaalsContact O-CG 3.32Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 3.35Å
201L98.6Very high97.7Very high11 Ų1143 Ų436%0.05823%0.228CC..Hα-helixtrans-63.2-37.6-179.7175.157.8000112V161 I189 T193 P196 G199 L205V161-L201 HydrophobicContact CB-CD1 4.26Å; V161-L201 HydrophobicContact CG1-CD1 3.64Å; V161-L201 HydrophobicContact CG2-CD1 4.45Å; I189-L201 HydrophobicContact CD1-CB 4.33Å; I189-L201 HydrophobicContact CG2-CD2 4.29Å; T193-L201 HydrophobicContact CG2-CD2 3.59Å; P196-L201 HydrophobicContact CG-CB 4.24Å; G199-L201 PolarHBondContact O-N 3.09Å; G199-L201 VanDerWaalsContact O-N 3.16Å; L201-L205 HydrophobicContact CD1-CD1 4.2Å; L201-L205 WeakPolarHBondContact O-CG 3.16Å
202C98.5Very high97.6Very high1 Ų147.5 Ų47.51%0.00726%0.255CS..Hα-helixtrans-62.2-49.9174.6-166.80000109.9P196 G199 L200 L204 L205 W206 V223P196-C202 WeakPolarHBondContact O-CB 3.46Å; P196-C202 PolarHBondContact O-SG 2.9Å; G199-C202 WeakPolarHBondContact O-CA 3.49Å; G199-C202 WeakPolarHBondContact O-CB 3.37Å; G199-C202 PolarHBondContact O-N 2.73Å; L200-C202 VanDerWaalsContact C-N 3.3Å; L200-C202 PolarHBondContact O-N 3.24Å; C202-L204 PolarHBondContact O-N 2.85Å; C202-L205 PolarHBondContact O-N 3.05Å; C202-W206 WeakPolarHBondContact O-CB 3.3Å; C202-W206 VanDerWaalsContact O-CD1 3.22Å; C202-W206 PolarHBondContact O-N 2.95Å; C202-V223 WeakPolarHBondContact SG-CG2 3.32Å
203D98.6Very high97.3Very high1 Ų145 Ų451%0.00524%0.239CC..Hα-helixtrans-66.6-37.3-173.2-60.9-29.6000113.9S177 G199 L200 L205 W206 S207 S224S177-D203 VanDerWaalsContact CB-CB 3.45Å; S177-D203 WeakPolarHBondContact CB-OD2 3.38Å; S177-D203 PolarHBondContact OG-OD2 3.29Å; G199-D203 PolarHBondContact O-N 3.01Å; L200-D203 PolarHBondContact O-N 3.19Å; D203-L205 PolarHBondContact O-N 2.81Å; D203-L205 VanDerWaalsContact O-N 3.12Å; D203-W206 PolarHBondContact O-N 3.23Å; D203-S207 VanDerWaalsContact O-CB 3.23Å; D203-S207 WeakPolarHBondContact O-CB 3.43Å; D203-S207 PolarHBondContact O-N 3.23Å; D203-S207 PolarHBondContact O-OG 2.63Å; D203-S224 VanDerWaalsContact CA-OG 3.27Å; D203-S224 WeakPolarHBondContact CA-OG 3.33Å; D203-S224 VanDerWaalsContact OD1-CB 3.29Å; D203-S224 WeakPolarHBondContact OD1-CB 3.48Å; D203-S224 PolarHBondContact OD1-OG 2.92Å
204L98.8Very high97.2Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-59.6-22.3174-71.5172.7000112.7V161 F170 G174 G175 L180 I186 I189 L200 C202V161-L204 HydrophobicContact CG2-CD1 3.86Å; F170-L204 HydrophobicContact CZ-CD2 4.07Å; G174-L204 VanDerWaalsContact CA-O 3.28Å; G174-L204 WeakPolarHBondContact CA-O 3.49Å; G174-L204 PolarHBondContact N-O 2.86Å; G175-L204 PolarHBondContact N-O 3.35Å; G175-L204 WeakPolarHBondContact O-CD2 3.29Å; L180-L204 HydrophobicContact CD2-CD2 4.23Å; I186-L204 HydrophobicContact CD1-CD1 4.09Å; I186-L204 HydrophobicContact CD1-CD2 4.28Å; I186-L204 HydrophobicContact CG1-CD1 4.13Å; I186-L204 HydrophobicContact CG2-CD1 4.4Å; I189-L204 HydrophobicContact CD1-CD1 4.49Å; L200-L204 HydrophobicContact CD1-CD1 4Å; L200-L204 HydrophobicContact CD1-CD2 4.43Å; L200-L204 HydrophobicContact CD1-CG 3.99Å; L200-L204 HydrophobicContact CG-CD1 4.12Å; L200-L204 VanDerWaalsContact O-CG 3.32Å; L200-L204 WeakPolarHBondContact O-CG 3.4Å; L200-L204 PolarHBondContact O-N 3.35Å; C202-L204 PolarHBondContact O-N 2.85Å
205L98.6Very high97.2Very high0 Ų046.6 Ų46.60%025%0.249CC..Hα-helixtrans-105.3-20.3-178.1-56.9-175.4000113.8R122 N124 H173 V195 L201 C202 D203R122-L205 HydrophobicContact CB-CD2 4.32Å; R122-L205 HydrophobicContact CG-CD1 4.34Å; R122-L205 WeakPolarHBondContact O-CD2 3.45Å; N124-L205 HydrophobicContact CB-CB 4.24Å; H173-L205 HydrophobicContact CB-CD2 4.16Å; V195-L205 HydrophobicContact CG1-CD1 3.97Å; V195-L205 HydrophobicContact CG2-CD1 3.65Å; L201-L205 HydrophobicContact CD1-CD1 4.2Å; L201-L205 WeakPolarHBondContact O-CG 3.16Å; C202-L205 PolarHBondContact O-N 3.05Å; D203-L205 PolarHBondContact O-N 2.81Å; D203-L205 VanDerWaalsContact O-N 3.12Å
206W98.4Very high97.3Very high12 Ų1250.3 Ų50.35%0.04526%0.262CS..Hα-helixtrans-126.1-18.6-167.8-74.2102.2000115.7N124 I130 C202 D203 N219 V223 T321N124-W206 HydrophobicContact CB-CD2 3.89Å; N124-W206 VanDerWaalsContact CB-CE2 3.48Å; N124-W206 HydrophobicContact CB-CE3 4.37Å; N124-W206 HydrophobicContact CB-CG 4.4Å; N124-W206 HydrophobicContact CB-CH2 4.2Å; N124-W206 HydrophobicContact CB-CZ2 3.67Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.33Å; N124-W206 VanDerWaalsContact ND2-CZ3 3.3Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.25Å; I130-W206 HydrophobicContact CD1-CH2 3.57Å; I130-W206 HydrophobicContact CD1-CZ2 3.53Å; I130-W206 HydrophobicContact CG1-CH2 4.01Å; I130-W206 HydrophobicContact CG1-CZ2 3.65Å; C202-W206 WeakPolarHBondContact O-CB 3.3Å; C202-W206 VanDerWaalsContact O-CD1 3.22Å; C202-W206 PolarHBondContact O-N 2.95Å; D203-W206 PolarHBondContact O-N 3.23Å; W206-N219 PolarHBondContact O-ND2 3.08Å; W206-N219 VanDerWaalsContact O-ND2 3.1Å; W206-V223 HydrophobicContact CB-CG1 4.13Å; W206-V223 HydrophobicContact CD2-CG1 3.57Å; W206-V223 HydrophobicContact CE3-CG1 3.51Å; W206-V223 HydrophobicContact CG-CG1 3.88Å; W206-V223 HydrophobicContact CZ3-CG1 4.06Å; W206-T321 HydrophobicContact CH2-CG2 3.81Å; W206-T321 HydrophobicContact CZ3-CG2 3.9Å; W206-T321 WeakPolarHBondContact CZ3-O 3.23Å
207S98.4Very high97.3Very high0 Ų048.5 Ų48.50%025%0.253CS..  trans-68.2152.8-178.261.90000111.7G174 G175 L176 D203 Y225 R246G174-S207 CarbonylContact C-O 3.46Å; G174-S207 VanDerWaalsContact C-O 3.31Å; G175-S207 WeakPolarHBondContact CA-OG 3.31Å; G175-S207 PolarHBondContact N-OG 2.92Å; L176-S207 PolarHBondContact N-OG 3.13Å; L176-S207 VanDerWaalsContact N-OG 3.13Å; L176-S207 VanDerWaalsContact O-CB 3.25Å; L176-S207 WeakPolarHBondContact O-CB 3.46Å; L176-S207 PolarHBondContact O-OG 2.78Å; D203-S207 VanDerWaalsContact O-CB 3.23Å; D203-S207 WeakPolarHBondContact O-CB 3.43Å; D203-S207 PolarHBondContact O-N 3.23Å; D203-S207 PolarHBondContact O-OG 2.63Å; S207-Y225 WeakPolarHBondContact CA-O 3.31Å; S207-Y225 WeakPolarHBondContact CB-O 3.38Å; S207-R246 PolarHBondContact O-NH2 3.46Å
208D98.5Very high97.4Very high1 Ų150.5 Ų50.51%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-129.1141.3178.3-67.3-58.4000112.5N219 R221 Y225 T226 F227 R246 H248 Q249D208-N219 PolarHBondContact OD2-ND2 2.93Å; D208-N219 PolarHBondContact OD2-OD1 2.77Å; D208-R221 IonicContact OD1-CZ 3.03Å; D208-R221 IonicContact OD1-NE 3.98Å; D208-R221 IonicContact OD1-NH2 2.66Å; D208-R221 PolarHBondContact OD1-NH2 3.2Å; D208-R221 IonicContact OD2-CZ 3.56Å; D208-R221 IonicContact OD2-NE 3.57Å; D208-R221 PolarHBondContact OD2-NE 2.89Å; D208-R221 IonicContact OD2-NH2 3.64Å; D208-R221 PolarHBondContact OD2-NH2 3.41Å; D208-Y225 PolarHBondContact N-O 3.22Å; D208-Y225 VanDerWaalsContact N-O 3.13Å; D208-T226 HydrophobicContact CB-CG2 4.44Å; D208-T226 CarbonylContact O-C 3.53Å; D208-T226 WeakPolarHBondContact O-CA 3.4Å; D208-F227 VanDerWaalsContact C-CE1 3.41Å; D208-F227 WeakPolarHBondContact O-CD1 3.4Å; D208-F227 PolarHBondContact O-N 3.08Å; D208-R246 IonicContact OD1-CZ 2.82Å; D208-R246 IonicContact OD1-NH1 3.56Å; D208-R246 IonicContact OD1-NH2 3.12Å; D208-R246 PolarHBondContact OD1-NH2 2.9Å; D208-H248 IonicContact OD1-CD2 2.72Å; D208-H248 PolarHBondContact OD1-CD2 3.04Å; D208-Q249 VanDerWaalsContact OD1-CD 3.28Å; D208-Q249 VanDerWaalsContact OD1-CG 3.22Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.34Å
209P98.2Very high97.3Very high13 Ų1343.3 Ų43.38%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-64.4139.2163.128-34.3000110.8F227 Q249 F258 L263P209-F227 WeakPolarHBondContact CA-O 3.39Å; P209-F227 HydrophobicContact CB-CD2 4.43Å; P209-F227 HydrophobicContact CB-CE2 3.81Å; P209-F227 HydrophobicContact CB-CZ 3.98Å; P209-F227 HydrophobicContact CG-CZ 4.37Å; P209-Q249 VanDerWaalsContact CD-OE1 3.25Å; P209-F258 HydrophobicContact CB-CD1 3.76Å; P209-F258 HydrophobicContact CB-CD2 4.16Å; P209-F258 HydrophobicContact CB-CE1 3.7Å; P209-F258 HydrophobicContact CB-CE2 4.11Å; P209-F258 HydrophobicContact CB-CG 3.98Å; P209-F258 HydrophobicContact CB-CZ 3.86Å; P209-L263 HydrophobicContact CG-CD2 4.19Å
210D97.6Very high97.2Very high45 Ų4547.5 Ų47.524%0.24124%0.242CC..  trans-142.3126.3174-169.4-15.4000110D212 T213 T226 F227 S228D210-D212 VanDerWaalsContact C-N 3.32Å; D210-D212 PolarHBondContact OD1-N 2.98Å; D210-T213 PolarHBondContact OD2-OG1 2.94Å; D210-T226 HydrophobicContact CB-CG2 3.96Å; D210-F227 PolarHBondContact N-O 3.01Å; D210-S228 WeakPolarHBondContact O-CA 3.32Å
211K95.6Very high96.9Very high156 Ų15646.5 Ų46.568%0.67824%0.237SC*.SBendtrans-75.4-24-179.567.6-177.1-179.1-175.50112.6F258K211-F258 HydrophobicContact CB-CE2 4.08Å
212D95Very high96.7Very high136 Ų13647.8 Ų47.873%0.72725%0.253SS*.SBendtrans-92.4-10.4-174.5-60.6-46.7000111.3D210D210-D212 VanDerWaalsContact C-N 3.32Å; D210-D212 PolarHBondContact OD1-N 2.98Å
213T93.5Very high96.7Very high26 Ų2648.7 Ų48.716%0.1626%0.258CS..  trans-80.9144.6171.7-69.50000111.7D210 T226 S228D210-T213 PolarHBondContact OD2-OG1 2.94Å; T213-T226 PolarHBondContact OG1-OG1 3.46Å; T213-S228 WeakPolarHBondContact O-CB 3.36Å
214N95.3Very high96.6Very high148 Ų14849.6 Ų49.679%0.79127%0.265SS*.SBendtrans-108.4111.4170.5-176.120.9000110.5W216N214-W216 PolarHBondContact O-N 3.1Å
215G97.8Very high96.5Very high14 Ų1454.1 Ų54.114%0.14428%0.282CS..SBendtrans72-111.2-171.700000111.4F227 S228 V231G215-F227 WeakPolarHBondContact O-CA 3.43Å; G215-S228 VanDerWaalsContact CA-OG 3.32Å; G215-S228 WeakPolarHBondContact CA-OG 3.24Å; G215-S228 PolarHBondContact N-OG 3.27Å; G215-S228 PolarHBondContact O-N 3.22Å; G215-S228 PolarHBondContact O-OG 2.81Å; G215-V231 WeakPolarHBondContact O-CG2 3.36Å
216W98.2Very high96.5Very high91 Ų9154.3 Ų54.335%0.34528%0.283SS..EExtended strand (participates in β ladder)trans-113.5138.4178.6-62.196.5000110.2L176 S177 P178 N214 Y225 T226 F227 V231L176-W216 HydrophobicContact CB-CH2 3.75Å; L176-W216 HydrophobicContact CB-CZ3 4.47Å; L176-W216 WeakPolarHBondContact O-CZ3 2.89Å; S177-W216 VanDerWaalsContact C-CZ2 3.49Å; P178-W216 VanDerWaalsContact CA-CZ2 3.44Å; P178-W216 HydrophobicContact CB-CD2 3.97Å; P178-W216 HydrophobicContact CB-CE3 4.44Å; P178-W216 HydrophobicContact CB-CG 4.35Å; P178-W216 HydrophobicContact CB-CZ2 4.04Å; P178-W216 HydrophobicContact CG-CD2 4.42Å; P178-W216 HydrophobicContact CG-CE3 4.45Å; P178-W216 VanDerWaalsContact N-CZ2 3.34Å; N214-W216 PolarHBondContact O-N 3.1Å; W216-Y225 HydrophobicContact CE3-CG 4.33Å; W216-T226 WeakPolarHBondContact CA-O 3.38Å; W216-F227 HydrophobicContact CD2-CB 4.36Å; W216-F227 HydrophobicContact CE3-CB 3.72Å; W216-F227 HydrophobicContact CH2-CB 4.1Å; W216-F227 HydrophobicContact CZ3-CB 3.58Å; W216-F227 HydrophobicContact CZ3-CD1 4.07Å; W216-F227 HydrophobicContact CZ3-CG 4.17Å; W216-V231 HydrophobicContact CH2-CG1 3.83Å; W216-V231 HydrophobicContact CZ2-CG1 3.43Å; W216-V231 VanDerWaalsContact CZ2-CG1 3.43Å; W216-V231 HydrophobicContact CZ2-CG2 4.48Å
217G97.3Very high96.6Very high18 Ų1853.7 Ų53.719%0.18628%0.281CS..EExtended strand (participates in β ladder)trans-131.4169.2179.500000112Y225 T226G217-Y225 CarbonylContact O-C 3.53Å; G217-Y225 VanDerWaalsContact O-CA 3.23Å; G217-Y225 WeakPolarHBondContact O-CA 3.27Å; G217-Y225 WeakPolarHBondContact O-CB 3.23Å; G217-T226 WeakPolarHBondContact CA-OG1 3.48Å; G217-T226 PolarHBondContact N-O 2.74Å; G217-T226 PolarHBondContact O-N 2.81Å; G217-T226 PolarHBondContact O-OG1 3.06Å
218E95.7Very high96.6Very high186 Ų18653.8 Ų53.887%0.86928%0.281SS*.EExtended strand (participates in β ladder)trans-69.3140.7171.2-68.2-171.1170.600110.4T226E218-T226 PolarHBondContact O-OG1 3.03Å
219N95.7Very high96.6Very high7 Ų755.9 Ų55.94%0.03730%0.295CS..  trans-89.9131.4174.4-163.1-28.2000111.5W206 D208 R221 G222 V223 T226W206-N219 PolarHBondContact O-ND2 3.08Å; W206-N219 VanDerWaalsContact O-ND2 3.1Å; D208-N219 PolarHBondContact OD2-ND2 2.93Å; D208-N219 PolarHBondContact OD2-OD1 2.77Å; N219-R221 PolarHBondContact O-N 3.25Å; N219-R221 WeakPolarHBondContact OD1-CG 3.36Å; N219-R221 PolarHBondContact OD1-N 2.81Å; N219-G222 PolarHBondContact O-N 2.95Å; N219-V223 WeakPolarHBondContact CB-O 3.38Å; N219-T226 HydrophobicContact CB-CG2 4.3Å
220D93.9Very high96.6Very high108 Ų10857.7 Ų57.758%0.57830%0.304SS*.THydrogen-bonded Turntrans-53.5-28.1172.3-68.4-30.9000112.9G222 K320 K326D220-G222 PolarHBondContact O-N 3.25Å; D220-K320 HydrophobicContact CB-CD 3.88Å; D220-K320 IonicContact OD2-NZ 3.3Å; D220-K320 PolarHBondContact OD2-NZ 3.29Å; D220-K326 PolarHBondContact O-NZ 3.37Å
221R93.3Very high96.6Very high3 Ų356.2 Ų56.21%0.01130%0.297CS..THydrogen-bonded Turntrans-56.6-21.6173.5-65.6-175.6-163.7-102.36.7113.3D208 N219 V223 H248 K320 T321 A323D208-R221 IonicContact OD1-CZ 3.03Å; D208-R221 IonicContact OD1-NE 3.98Å; D208-R221 IonicContact OD1-NH2 2.66Å; D208-R221 PolarHBondContact OD1-NH2 3.2Å; D208-R221 IonicContact OD2-CZ 3.56Å; D208-R221 IonicContact OD2-NE 3.57Å; D208-R221 PolarHBondContact OD2-NE 2.89Å; D208-R221 IonicContact OD2-NH2 3.64Å; D208-R221 PolarHBondContact OD2-NH2 3.41Å; N219-R221 PolarHBondContact O-N 3.25Å; N219-R221 WeakPolarHBondContact OD1-CG 3.36Å; N219-R221 PolarHBondContact OD1-N 2.81Å; R221-V223 VanDerWaalsContact C-N 3.34Å; R221-V223 HydrophobicContact CB-CG1 4.2Å; R221-H248 WeakPolarHBondContact CD-NE2 3.37Å; R221-H248 PolarHBondContact NE-NE2 3.02Å; R221-H248 PolarHBondContact NH1-CE1 3.43Å; R221-H248 VanDerWaalsContact NH1-CE1 3.32Å; R221-H248 PolarHBondContact NH1-NE2 2.69Å; R221-H248 VanDerWaalsContact NH1-NE2 3.17Å; R221-H248 PolarHBondContact NH2-CD2 3.01Å; R221-H248 PolarHBondContact NH2-NE2 3.31Å; R221-H248 PolarHBondContact NH2-O 2.86Å; R221-H248 VanDerWaalsContact NH2-O 3.1Å; R221-K320 HydrophobicContact CG-CB 4.1Å; R221-K320 HydrophobicContact CG-CD 4.4Å; R221-T321 WeakPolarHBondContact CG-O 3.29Å; R221-T321 VanDerWaalsContact NH1-N 3.11Å; R221-A323 PolarHBondContact O-N 3.15Å
222G94.9Very high96.8Very high38 Ų3848.8 Ų48.839%0.39227%0.265SS..SBendtrans8115.6-177.700000114.5N219 D220 K326N219-G222 PolarHBondContact O-N 2.95Å; D220-G222 PolarHBondContact O-N 3.25Å; G222-K326 VanDerWaalsContact CA-NZ 3.27Å
223V96.7Very high96.9Very high20 Ų2043.7 Ų43.712%0.12124%0.239CC..SBendtrans-152.1148.417862.90000107.4D197 C202 W206 N219 R221 A323D197-V223 WeakPolarHBondContact O-CG2 3.41Å; C202-V223 WeakPolarHBondContact SG-CG2 3.32Å; W206-V223 HydrophobicContact CB-CG1 4.13Å; W206-V223 HydrophobicContact CD2-CG1 3.57Å; W206-V223 HydrophobicContact CE3-CG1 3.51Å; W206-V223 HydrophobicContact CG-CG1 3.88Å; W206-V223 HydrophobicContact CZ3-CG1 4.06Å; N219-V223 WeakPolarHBondContact CB-O 3.38Å; R221-V223 VanDerWaalsContact C-N 3.34Å; R221-V223 HydrophobicContact CB-CG1 4.2Å; V223-A323 HydrophobicContact CB-CB 3.96Å; V223-A323 HydrophobicContact CG1-CB 3.89Å
224S97.1Very high97.2Very high20 Ų2048 Ų4814%0.1426%0.256CS..SBendtrans57.5-159.7-176.7-165.40000113.1D203D203-S224 VanDerWaalsContact CA-OG 3.27Å; D203-S224 WeakPolarHBondContact CA-OG 3.33Å; D203-S224 VanDerWaalsContact OD1-CB 3.29Å; D203-S224 WeakPolarHBondContact OD1-CB 3.48Å; D203-S224 PolarHBondContact OD1-OG 2.92Å
225Y98Very high97.3Very high95 Ų9541.2 Ų41.237%0.37322%0.219SC..EExtended strand (participates in β ladder)trans-127.2157.5-166.8-55-82.9000111.5P178 S207 D208 W216 G217P178-Y225 HydrophobicContact CG-CD2 3.76Å; P178-Y225 HydrophobicContact CG-CE2 3.57Å; P178-Y225 HydrophobicContact CG-CG 4.42Å; S207-Y225 WeakPolarHBondContact CA-O 3.31Å; S207-Y225 WeakPolarHBondContact CB-O 3.38Å; D208-Y225 PolarHBondContact N-O 3.22Å; D208-Y225 VanDerWaalsContact N-O 3.13Å; W216-Y225 HydrophobicContact CE3-CG 4.33Å; G217-Y225 CarbonylContact O-C 3.53Å; G217-Y225 VanDerWaalsContact O-CA 3.23Å; G217-Y225 WeakPolarHBondContact O-CA 3.27Å; G217-Y225 WeakPolarHBondContact O-CB 3.23Å
226T98.5Very high97.4Very high3 Ų340.7 Ų40.72%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-91.1154155.7530000110.2D208 D210 T213 W216 G217 E218 N219D208-T226 HydrophobicContact CB-CG2 4.44Å; D208-T226 CarbonylContact O-C 3.53Å; D208-T226 WeakPolarHBondContact O-CA 3.4Å; D210-T226 HydrophobicContact CB-CG2 3.96Å; T213-T226 PolarHBondContact OG1-OG1 3.46Å; W216-T226 WeakPolarHBondContact CA-O 3.38Å; G217-T226 WeakPolarHBondContact CA-OG1 3.48Å; G217-T226 PolarHBondContact N-O 2.74Å; G217-T226 PolarHBondContact O-N 2.81Å; G217-T226 PolarHBondContact O-OG1 3.06Å; E218-T226 PolarHBondContact O-OG1 3.03Å; N219-T226 HydrophobicContact CB-CG2 4.3Å
227F98.7Very high97.4Very high0 Ų045.1 Ų45.10%023%0.23CC..EExtended strand (participates in β ladder)trans-136.5143.8176.459.6-92.7000113.4L176 D208 P209 D210 G215 W216 V231 V232 L263L176-F227 HydrophobicContact CB-CD1 4.29Å; L176-F227 HydrophobicContact CB-CE1 4.29Å; L176-F227 HydrophobicContact CB-CG 4.45Å; L176-F227 HydrophobicContact CB-CZ 4.45Å; L176-F227 HydrophobicContact CD1-CD2 4.36Å; L176-F227 HydrophobicContact CD1-CE2 4.3Å; L176-F227 HydrophobicContact CG-CE2 4.36Å; L176-F227 HydrophobicContact CG-CZ 4.37Å; D208-F227 VanDerWaalsContact C-CE1 3.41Å; D208-F227 WeakPolarHBondContact O-CD1 3.4Å; D208-F227 PolarHBondContact O-N 3.08Å; P209-F227 WeakPolarHBondContact CA-O 3.39Å; P209-F227 HydrophobicContact CB-CD2 4.43Å; P209-F227 HydrophobicContact CB-CE2 3.81Å; P209-F227 HydrophobicContact CB-CZ 3.98Å; P209-F227 HydrophobicContact CG-CZ 4.37Å; D210-F227 PolarHBondContact N-O 3.01Å; G215-F227 WeakPolarHBondContact O-CA 3.43Å; W216-F227 HydrophobicContact CD2-CB 4.36Å; W216-F227 HydrophobicContact CE3-CB 3.72Å; W216-F227 HydrophobicContact CH2-CB 4.1Å; W216-F227 HydrophobicContact CZ3-CB 3.58Å; W216-F227 HydrophobicContact CZ3-CD1 4.07Å; W216-F227 HydrophobicContact CZ3-CG 4.17Å; F227-V231 HydrophobicContact CB-CB 4.13Å; F227-V231 HydrophobicContact CB-CG1 4.01Å; F227-V231 HydrophobicContact CB-CG2 4.38Å; F227-V232 HydrophobicContact CD2-CG2 3.83Å; F227-V232 HydrophobicContact CE2-CG2 3.63Å; F227-L263 HydrophobicContact CE2-CD1 3.82Å; F227-L263 HydrophobicContact CZ-CD1 4Å
228S98.4Very high97.4Very high1 Ų150.1 Ų50.11%0.00724%0.243CC..  trans-83.9168.9-173.864.90000113.8D210 T213 G215 D230 V231 V232D210-S228 WeakPolarHBondContact O-CA 3.32Å; T213-S228 WeakPolarHBondContact O-CB 3.36Å; G215-S228 VanDerWaalsContact CA-OG 3.32Å; G215-S228 WeakPolarHBondContact CA-OG 3.24Å; G215-S228 PolarHBondContact N-OG 3.27Å; G215-S228 PolarHBondContact O-N 3.22Å; G215-S228 PolarHBondContact O-OG 2.81Å; S228-D230 WeakPolarHBondContact CB-OD1 3.3Å; S228-D230 PolarHBondContact O-N 3.44Å; S228-D230 VanDerWaalsContact OG-CG 3.31Å; S228-D230 PolarHBondContact OG-OD1 2.74Å; S228-V231 WeakPolarHBondContact O-CB 3.26Å; S228-V231 PolarHBondContact O-N 2.82Å; S228-V232 PolarHBondContact O-N 3.32Å
229P98.5Very high97.6Very high45 Ų4543 Ų4329%0.29221%0.21SC..Hα-helixtrans-56-35172.5-27.736.9000114.4V231 V232 S233 F258 A259P229-V231 VanDerWaalsContact C-N 3.34Å; P229-V231 PolarHBondContact O-N 2.6Å; P229-V232 WeakPolarHBondContact O-CB 3.13Å; P229-V232 PolarHBondContact O-N 2.79Å; P229-S233 PolarHBondContact O-N 2.83Å; P229-S233 PolarHBondContact O-OG 2.96Å; P229-F258 HydrophobicContact CB-CE1 4.31Å; P229-F258 HydrophobicContact CB-CZ 4.29Å; P229-F258 VanDerWaalsContact CD-CZ 3.47Å; P229-F258 HydrophobicContact CG-CE1 4Å; P229-F258 HydrophobicContact CG-CE2 3.99Å; P229-F258 HydrophobicContact CG-CZ 3.5Å; P229-A259 HydrophobicContact CB-CB 3.9Å
230D98.3Very high97.7Very high51 Ų5148.1 Ų48.127%0.27324%0.237SC..Hα-helixtrans-71.7-29-179.473-81.7000112.7S228 S233 K234S228-D230 WeakPolarHBondContact CB-OD1 3.3Å; S228-D230 PolarHBondContact O-N 3.44Å; S228-D230 VanDerWaalsContact OG-CG 3.31Å; S228-D230 PolarHBondContact OG-OD1 2.74Å; D230-S233 PolarHBondContact O-N 3.16Å; D230-K234 WeakPolarHBondContact O-CB 3.2Å; D230-K234 WeakPolarHBondContact O-CD 3.27Å; D230-K234 WeakPolarHBondContact O-CG 3.41Å; D230-K234 PolarHBondContact O-N 3.46Å; D230-K234 IonicContact OD2-NZ 3.97Å; D230-K234 PolarHBondContact OD2-NZ 2.99Å
231V98.6Very high97.9Very high15 Ų1543.8 Ų43.89%0.09121%0.213CC..Hα-helixtrans-62.7-45.5171.7173.40000110.1L176 G215 W216 F227 S228 P229 K234 F235L176-V231 HydrophobicContact CD1-CG1 3.98Å; G215-V231 WeakPolarHBondContact O-CG2 3.36Å; W216-V231 HydrophobicContact CH2-CG1 3.83Å; W216-V231 HydrophobicContact CZ2-CG1 3.43Å; W216-V231 VanDerWaalsContact CZ2-CG1 3.43Å; W216-V231 HydrophobicContact CZ2-CG2 4.48Å; F227-V231 HydrophobicContact CB-CB 4.13Å; F227-V231 HydrophobicContact CB-CG1 4.01Å; F227-V231 HydrophobicContact CB-CG2 4.38Å; S228-V231 WeakPolarHBondContact O-CB 3.26Å; S228-V231 PolarHBondContact O-N 2.82Å; P229-V231 VanDerWaalsContact C-N 3.34Å; P229-V231 PolarHBondContact O-N 2.6Å; V231-K234 PolarHBondContact O-N 2.95Å; V231-F235 WeakPolarHBondContact O-CB 3.33Å; V231-F235 PolarHBondContact O-N 2.79Å
232V98.7Very high98.1Very high0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-58.8-51.6175.1174.10000111L176 F227 S228 P229 K234 F235 L236 I244 F258 A259 Q262 L263L176-V232 HydrophobicContact CD1-CG2 4.35Å; F227-V232 HydrophobicContact CD2-CG2 3.83Å; F227-V232 HydrophobicContact CE2-CG2 3.63Å; S228-V232 PolarHBondContact O-N 3.32Å; P229-V232 WeakPolarHBondContact O-CB 3.13Å; P229-V232 PolarHBondContact O-N 2.79Å; V232-K234 VanDerWaalsContact C-N 3.26Å; V232-K234 PolarHBondContact O-N 2.98Å; V232-F235 PolarHBondContact O-N 3.46Å; V232-L236 HydrophobicContact CG1-CD1 4Å; V232-L236 PolarHBondContact O-N 3.39Å; V232-I244 HydrophobicContact CG1-CD1 3.97Å; V232-I244 HydrophobicContact CG2-CD1 4.44Å; V232-F258 HydrophobicContact CG2-CD1 4.1Å; V232-F258 HydrophobicContact CG2-CE1 3.92Å; V232-A259 HydrophobicContact CB-CB 3.84Å; V232-A259 HydrophobicContact CG1-CB 3.8Å; V232-A259 HydrophobicContact CG2-CB 4.26Å; V232-Q262 HydrophobicContact CG1-CB 3.9Å; V232-L263 HydrophobicContact CG1-CB 4.14Å; V232-L263 HydrophobicContact CG2-CB 4.49Å; V232-L263 HydrophobicContact CG2-CD1 4.04Å
233S98.6Very high98.3Very high28 Ų2847.4 Ų47.420%0.19622%0.224CC..Hα-helixtrans-62-30.2179.6-670000113.7P229 D230 R237 Q262P229-S233 PolarHBondContact O-N 2.83Å; P229-S233 PolarHBondContact O-OG 2.96Å; D230-S233 PolarHBondContact O-N 3.16Å; S233-R237 WeakPolarHBondContact O-CB 3.41Å; S233-R237 PolarHBondContact O-NH2 3.33Å; S233-Q262 PolarHBondContact OG-OE1 2.89Å
234K98.4Very high98.4Very high116 Ų11646.5 Ų46.550%0.50422%0.218SC..Hα-helixtrans-76.5-42.6175.1-76.2165.4-177.1160.20111.3D230 V231 V232 R238D230-K234 WeakPolarHBondContact O-CB 3.2Å; D230-K234 WeakPolarHBondContact O-CD 3.27Å; D230-K234 WeakPolarHBondContact O-CG 3.41Å; D230-K234 PolarHBondContact O-N 3.46Å; D230-K234 IonicContact OD2-NZ 3.97Å; D230-K234 PolarHBondContact OD2-NZ 2.99Å; V231-K234 PolarHBondContact O-N 2.95Å; V232-K234 VanDerWaalsContact C-N 3.26Å; V232-K234 PolarHBondContact O-N 2.98Å; K234-R238 WeakPolarHBondContact O-CB 3.24Å; K234-R238 PolarHBondContact O-N 3.32Å
235F98.7Very high98.5Very high7 Ų745.5 Ų45.53%0.03121%0.212CC..Hα-helixtrans-59.4-54.4178.3175.2-91.1000111.6F170 L176 L180 M183 V231 V232 R237 R238 H239 M241 I244F170-F235 HydrophobicContact CB-CE1 4.1Å; F170-F235 HydrophobicContact CB-CZ 4.47Å; F170-F235 AromaticContact CD1-CE1 3.99Å; F170-F235 HydrophobicContact CD1-CE1 3.99Å; F170-F235 AromaticContact CD1-CZ 3.9Å; F170-F235 HydrophobicContact CD1-CZ 3.9Å; F170-F235 HydrophobicContact CD2-CZ 4.29Å; F170-F235 HydrophobicContact CE1-CZ 4.19Å; F170-F235 HydrophobicContact CG-CE1 4.03Å; F170-F235 AromaticContact CG-CZ 3.96Å; F170-F235 HydrophobicContact CG-CZ 3.96Å; L176-F235 HydrophobicContact CD1-CB 3.78Å; L176-F235 HydrophobicContact CD1-CD1 4.36Å; L176-F235 HydrophobicContact CD1-CD2 4.29Å; L176-F235 HydrophobicContact CD1-CG 3.89Å; L176-F235 HydrophobicContact CD2-CD1 3.93Å; L176-F235 HydrophobicContact CD2-CD2 3.64Å; L176-F235 HydrophobicContact CD2-CE1 3.94Å; L176-F235 HydrophobicContact CD2-CE2 3.65Å; L176-F235 HydrophobicContact CD2-CG 3.77Å; L176-F235 HydrophobicContact CD2-CZ 3.8Å; L176-F235 HydrophobicContact CG-CG 4.5Å; L180-F235 HydrophobicContact CD2-CE2 3.7Å; L180-F235 HydrophobicContact CD2-CZ 4.36Å; L180-F235 HydrophobicContact CG-CE2 4.16Å; M183-F235 HydrophobicContact CE-CE2 3.53Å; M183-F235 HydrophobicContact CE-CZ 3.48Å; M183-F235 VanDerWaalsContact CE-CZ 3.48Å; V231-F235 WeakPolarHBondContact O-CB 3.33Å; V231-F235 PolarHBondContact O-N 2.79Å; V232-F235 PolarHBondContact O-N 3.46Å; F235-R237 VanDerWaalsContact C-N 3.34Å; F235-R237 PolarHBondContact O-N 3.09Å; F235-R238 WeakPolarHBondContact O-CB 3.28Å; F235-R238 PolarHBondContact O-N 3.13Å; F235-R238 VanDerWaalsContact O-N 3.11Å; F235-H239 AromaticContact CD2-CD2 3.54Å; F235-H239 AromaticContact CD2-NE2 3.85Å; F235-H239 AromaticContact CE2-CD2 3.37Å; F235-H239 WeakPolarHBondContact CE2-CD2 3.43Å; F235-H239 AromaticContact CE2-NE2 3.66Å; F235-H239 AromaticContact CZ-CD2 3.71Å; F235-H239 PolarHBondContact O-CD2 2.84Å; F235-H239 VanDerWaalsContact O-CD2 3.26Å; F235-H239 PolarHBondContact O-N 3.02Å; F235-M241 HydrophobicContact CE1-SD 4.36Å; F235-I244 HydrophobicContact CD1-CD1 3.72Å; F235-I244 HydrophobicContact CD1-CG1 4.19Å; F235-I244 HydrophobicContact CE1-CD1 4.12Å; F235-I244 HydrophobicContact CE1-CG1 4.25Å; F235-I244 HydrophobicContact CG-CD1 4.5Å
236L98.7Very high98.5Very high2 Ų241 Ų411%0.0119%0.194CC..Hα-helixtrans-59.7-44.1-178.2-74.8175.3000112.3V232 R238 H239 D240 M241 I244 Q262V232-L236 HydrophobicContact CG1-CD1 4Å; V232-L236 PolarHBondContact O-N 3.39Å; L236-R238 VanDerWaalsContact C-N 3.34Å; L236-R238 PolarHBondContact O-N 3.17Å; L236-H239 CarbonylContact O-C 3.57Å; L236-H239 PolarHBondContact O-N 3.21Å; L236-D240 WeakPolarHBondContact O-CA 2.99Å; L236-D240 PolarHBondContact O-N 3.46Å; L236-M241 WeakPolarHBondContact CB-O 3.35Å; L236-M241 HydrophobicContact CD2-CB 3.57Å; L236-M241 PolarHBondContact O-N 3.21Å; L236-I244 HydrophobicContact CD2-CG1 3.82Å; L236-I244 HydrophobicContact CG-CD1 4.47Å; L236-I244 HydrophobicContact CG-CG1 4.2Å; L236-Q262 HydrophobicContact CD1-CB 3.57Å; L236-Q262 HydrophobicContact CD1-CG 4.13Å; L236-Q262 WeakPolarHBondContact CD1-O 3.35Å
237R98.4Very high98.5Very high184 Ų18440.9 Ų40.969%0.69419%0.193SC*.Hα-helixtrans-62.4-39.8175.8-169.3-166.6-33.8-74-19.1112.7S233 F235 H239S233-R237 WeakPolarHBondContact O-CB 3.41Å; S233-R237 PolarHBondContact O-NH2 3.33Å; F235-R237 VanDerWaalsContact C-N 3.34Å; F235-R237 PolarHBondContact O-N 3.09Å; R237-H239 VanDerWaalsContact C-N 3.29Å
238R98.4Very high98.5Very high124 Ų12441.2 Ų41.247%0.46820%0.195SC..Hα-helixtrans-65.5-36.6179.7-178.2-170-62.4150-7.9111.5L180 Q181 K234 F235 L236L180-R238 PolarHBondContact O-NH1 2.83Å; Q181-R238 WeakPolarHBondContact O-CD 3.42Å; Q181-R238 VanDerWaalsContact OE1-CZ 3.3Å; K234-R238 WeakPolarHBondContact O-CB 3.24Å; K234-R238 PolarHBondContact O-N 3.32Å; F235-R238 WeakPolarHBondContact O-CB 3.28Å; F235-R238 PolarHBondContact O-N 3.13Å; F235-R238 VanDerWaalsContact O-N 3.11Å; L236-R238 VanDerWaalsContact C-N 3.34Å; L236-R238 PolarHBondContact O-N 3.17Å
239H98.3Very high98.5Very high37 Ų3742.9 Ų42.917%0.17120%0.202CC..Hα-helixtrans-100.75.2-175.3-64.2-59000114Q181 F235 L236 R237 M241Q181-H239 PolarHBondContact O-CE1 3.38Å; Q181-H239 VanDerWaalsContact O-CE1 3.27Å; F235-H239 AromaticContact CD2-CD2 3.54Å; F235-H239 AromaticContact CD2-NE2 3.85Å; F235-H239 AromaticContact CE2-CD2 3.37Å; F235-H239 WeakPolarHBondContact CE2-CD2 3.43Å; F235-H239 AromaticContact CE2-NE2 3.66Å; F235-H239 AromaticContact CZ-CD2 3.71Å; F235-H239 PolarHBondContact O-CD2 2.84Å; F235-H239 VanDerWaalsContact O-CD2 3.26Å; F235-H239 PolarHBondContact O-N 3.02Å; L236-H239 CarbonylContact O-C 3.57Å; L236-H239 PolarHBondContact O-N 3.21Å; R237-H239 VanDerWaalsContact C-N 3.29Å; H239-M241 HydrophobicContact CB-CE 4.25Å; H239-M241 HydrophobicContact CB-CG 4.22Å; H239-M241 HydrophobicContact CB-SD 3.84Å; H239-M241 PolarHBondContact O-N 2.95Å
240D98.2Very high98.3Very high114 Ų11442.1 Ų42.161%0.6120%0.197SC*.THydrogen-bonded Turntrans51.641.6-176.2-165.449.8000114K168 L236K168-D240 PolarHBondContact NZ-O 2.76Å; K168-D240 IonicContact NZ-OD1 3.83Å; K168-D240 IonicContact NZ-OD2 3.3Å; K168-D240 PolarHBondContact NZ-OD2 3.32Å; L236-D240 WeakPolarHBondContact O-CA 2.99Å; L236-D240 PolarHBondContact O-N 3.46Å
241M98.5Very high98.2Very high16 Ų1640.2 Ų40.28%0.07919%0.187CC..  trans-109.7159.1179.4-72.1167.8179.600110.9I164 E167 K168 F170 F235 L236 H239I164-M241 HydrophobicContact CD1-CE 3.53Å; I164-M241 HydrophobicContact CG1-CE 3.77Å; I164-M241 HydrophobicContact CG2-CE 3.94Å; E167-M241 WeakPolarHBondContact O-CG 3.29Å; K168-M241 WeakPolarHBondContact O-CB 3.41Å; F170-M241 HydrophobicContact CB-SD 3.79Å; F235-M241 HydrophobicContact CE1-SD 4.36Å; L236-M241 WeakPolarHBondContact CB-O 3.35Å; L236-M241 HydrophobicContact CD2-CB 3.57Å; L236-M241 PolarHBondContact O-N 3.21Å; H239-M241 HydrophobicContact CB-CE 4.25Å; H239-M241 HydrophobicContact CB-CG 4.22Å; H239-M241 HydrophobicContact CB-SD 3.84Å; H239-M241 PolarHBondContact O-N 2.95Å
242D98.1Very high98Very high99 Ų9947 Ų4753%0.52922%0.218SC..SBendtrans-104.6-31.3-174.6-63.7-41.5000113.1K168K168-D242 WeakPolarHBondContact CD-OD2 3.34Å; K168-D242 PolarHBondContact O-N 3.31Å
243L98.7Very high97.9Very high19 Ų1952.2 Ų52.210%0.09924%0.242CC..EExtended strand (participates in β ladder)trans-144.5143.7-171.5-17766.1000112.1K168 I169 F170 Q262 V264 M283K168-L243 PolarHBondContact O-N 2.87Å; I169-L243 WeakPolarHBondContact CA-O 3.22Å; I169-L243 HydrophobicContact CD1-CD2 4.36Å; I169-L243 HydrophobicContact CG1-CB 4.29Å; I169-L243 HydrophobicContact CG2-CB 4.2Å; I169-L243 HydrophobicContact CG2-CD2 4.15Å; I169-L243 HydrophobicContact CG2-CG 4.24Å; F170-L243 PolarHBondContact N-O 3.38Å; L243-Q262 WeakPolarHBondContact CA-O 3.42Å; L243-V264 HydrophobicContact CD1-CB 4.48Å; L243-V264 HydrophobicContact CD1-CG1 4.16Å; L243-V264 HydrophobicContact CD2-CG1 4.14Å; L243-V264 HydrophobicContact CG-CG1 4.36Å; L243-M283 HydrophobicContact CD2-CE 4.46Å
244I98.9Very high97.8Very high0 Ų050.9 Ų50.90%023%0.233CC..EExtended strand (participates in β ladder)trans-104.4127.3161.8-57.6176.5000108.3F170 L176 V232 F235 L236 Q262 L263 V264F170-I244 HydrophobicContact CD1-CG2 4.26Å; F170-I244 CarbonylContact O-C 3.48Å; F170-I244 VanDerWaalsContact O-CA 3.3Å; F170-I244 WeakPolarHBondContact O-CA 3.48Å; L176-I244 HydrophobicContact CD1-CD1 3.74Å; L176-I244 HydrophobicContact CD2-CD1 3.92Å; L176-I244 HydrophobicContact CG-CD1 4.02Å; V232-I244 HydrophobicContact CG1-CD1 3.97Å; V232-I244 HydrophobicContact CG2-CD1 4.44Å; F235-I244 HydrophobicContact CD1-CD1 3.72Å; F235-I244 HydrophobicContact CD1-CG1 4.19Å; F235-I244 HydrophobicContact CE1-CD1 4.12Å; F235-I244 HydrophobicContact CE1-CG1 4.25Å; F235-I244 HydrophobicContact CG-CD1 4.5Å; L236-I244 HydrophobicContact CD2-CG1 3.82Å; L236-I244 HydrophobicContact CG-CD1 4.47Å; L236-I244 HydrophobicContact CG-CG1 4.2Å; I244-Q262 PolarHBondContact N-O 3.02Å; I244-L263 HydrophobicContact CB-CB 4.14Å; I244-L263 HydrophobicContact CB-CD1 4.04Å; I244-L263 HydrophobicContact CB-CG 3.98Å; I244-L263 HydrophobicContact CD1-CD1 4.3Å; I244-L263 HydrophobicContact CG2-CD1 3.85Å; I244-L263 HydrophobicContact CG2-CG 4.07Å; I244-L263 CarbonylContact O-C 3.31Å; I244-L263 VanDerWaalsContact O-CA 3.27Å; I244-L263 WeakPolarHBondContact O-CA 3.37Å; I244-V264 PolarHBondContact O-N 2.91Å
245C98.8Very high97.8Very high0 Ų049 Ų490%022%0.223CC..EExtended strand (participates in β ladder)trans-110.6124.2170.2-173.80000109.8L61 I169 F170 C171 C172 V264 L266 M283L61-C245 HydrophobicContact CD2-CB 3.99Å; L61-C245 VanDerWaalsContact CD2-SG 3.56Å; I169-C245 HydrophobicContact CG2-CB 4.08Å; F170-C245 PolarHBondContact O-N 2.7Å; C171-C245 VanDerWaalsContact CA-O 3.26Å; C171-C245 WeakPolarHBondContact CA-O 3.29Å; C172-C245 PolarHBondContact N-O 3.33Å; C245-V264 WeakPolarHBondContact CA-O 3.29Å; C245-V264 HydrophobicContact CB-CG1 3.96Å; C245-L266 WeakPolarHBondContact SG-CD1 3.48Å; C245-M283 HydrophobicContact CB-CE 4.04Å; C245-M283 VanDerWaalsContact SG-CE 3.55Å
246R98.8Very high97.8Very high0 Ų054.1 Ų54.10%025%0.247CC..EExtended strand (participates in β ladder)trans-139.6171.7-178.967.681.861.2154.720.2112.7C172 H173 G174 S207 D208 Q249 L263 V264 T265 L266C172-R246 VanDerWaalsContact O-CA 3.25Å; C172-R246 WeakPolarHBondContact O-CA 3.42Å; H173-R246 PolarHBondContact O-NE 2.83Å; G174-R246 PolarHBondContact O-NE 2.66Å; G174-R246 PolarHBondContact O-NH2 3.46Å; S207-R246 PolarHBondContact O-NH2 3.46Å; D208-R246 IonicContact OD1-CZ 2.82Å; D208-R246 IonicContact OD1-NH1 3.56Å; D208-R246 IonicContact OD1-NH2 3.12Å; D208-R246 PolarHBondContact OD1-NH2 2.9Å; R246-Q249 VanDerWaalsContact NH1-CB 3.32Å; R246-Q249 VanDerWaalsContact NH1-CD 3.3Å; R246-L263 HydrophobicContact CG-CD1 4.31Å; R246-L263 HydrophobicContact CG-CD2 3.97Å; R246-L263 HydrophobicContact CG-CG 4.28Å; R246-V264 PolarHBondContact N-O 3.35Å; R246-T265 WeakPolarHBondContact CD-OG1 3.49Å; R246-T265 CarbonylContact O-C 3.43Å; R246-T265 WeakPolarHBondContact O-CA 3.4Å; R246-L266 PolarHBondContact O-N 2.9Å
247A98.7Very high97.8Very high0 Ų057 Ų570%026%0.26CS..  trans-121.7-129.4-17700000112.2D64 L90 H173 Q249 L266D64-A247 VanDerWaalsContact OD1-CB 3.32Å; D64-A247 WeakPolarHBondContact OD1-CB 3.41Å; L90-A247 HydrophobicContact CB-CB 3.75Å; L90-A247 HydrophobicContact CD1-CB 4.03Å; H173-A247 CarbonylContact O-C 3.53Å; H173-A247 PolarHBondContact O-N 3.06Å; A247-Q249 PolarHBondContact O-N 3.46Å; A247-L266 WeakPolarHBondContact CA-O 3.49Å; A247-L266 WeakPolarHBondContact CB-O 3.06Å
248H98.1Very high97.8Very high7 Ų749.7 Ų49.73%0.03223%0.233CC..SBendtrans67.5-23.3160.1-168.659.8000119.1D64 D92 N124 H173 D208 R221D64-H248 PolarHBondContact OD1-N 3.03Å; D92-H248 IonicContact OD2-ND1 3.39Å; N124-H248 VanDerWaalsContact CG-CE1 3.45Å; N124-H248 PolarHBondContact OD1-CE1 2.72Å; N124-H248 PolarHBondContact OD1-ND1 3.34Å; H173-H248 AromaticContact CD2-CG 3.97Å; H173-H248 AromaticContact CD2-ND1 3.66Å; H173-H248 AromaticContact NE2-CG 3.78Å; H173-H248 AromaticContact NE2-ND1 3.27Å; H173-H248 PolarHBondContact NE2-ND1 2.91Å; H173-H248 WeakPolarHBondContact O-CB 3.46Å; D208-H248 IonicContact OD1-CD2 2.72Å; D208-H248 PolarHBondContact OD1-CD2 3.04Å; R221-H248 WeakPolarHBondContact CD-NE2 3.37Å; R221-H248 PolarHBondContact NE-NE2 3.02Å; R221-H248 PolarHBondContact NH1-CE1 3.43Å; R221-H248 VanDerWaalsContact NH1-CE1 3.32Å; R221-H248 PolarHBondContact NH1-NE2 2.69Å; R221-H248 VanDerWaalsContact NH1-NE2 3.17Å; R221-H248 PolarHBondContact NH2-CD2 3.01Å; R221-H248 PolarHBondContact NH2-NE2 3.31Å; R221-H248 PolarHBondContact NH2-O 2.86Å; R221-H248 VanDerWaalsContact NH2-O 3.1Å
249Q97.2Very high97.7Very high36 Ų3644.2 Ų44.217%0.16821%0.214CC..SBendtrans-111.9127.9173.2-77.6172.2-57.700109.7D208 P209 R246 A247 V251 T265 F267D208-Q249 VanDerWaalsContact OD1-CD 3.28Å; D208-Q249 VanDerWaalsContact OD1-CG 3.22Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.34Å; P209-Q249 VanDerWaalsContact CD-OE1 3.25Å; R246-Q249 VanDerWaalsContact NH1-CB 3.32Å; R246-Q249 VanDerWaalsContact NH1-CD 3.3Å; A247-Q249 PolarHBondContact O-N 3.46Å; Q249-V251 PolarHBondContact O-N 3.03Å; Q249-T265 HydrophobicContact CB-CG2 4.11Å; Q249-F267 WeakPolarHBondContact O-CD2 3.32Å
250V95.5Very high97.7Very high30 Ų3052.3 Ų52.318%0.18225%0.249CC..  trans-64.4126.8169.4-172.80000108.4F267 Y272 F276 N278V250-F267 HydrophobicContact CB-CE1 4.48Å; V250-F267 HydrophobicContact CB-CE2 4.39Å; V250-F267 HydrophobicContact CB-CZ 4.4Å; V250-F267 HydrophobicContact CG1-CD1 4.26Å; V250-F267 HydrophobicContact CG1-CE1 4.21Å; V250-F267 HydrophobicContact CG2-CD2 4.31Å; V250-F267 HydrophobicContact CG2-CE1 4.05Å; V250-F267 HydrophobicContact CG2-CE2 3.72Å; V250-F267 HydrophobicContact CG2-CZ 3.59Å; V250-Y272 HydrophobicContact CG2-CD1 3.56Å; V250-Y272 HydrophobicContact CG2-CE1 3.75Å; V250-Y272 HydrophobicContact CG2-CG 4.38Å; V250-F276 HydrophobicContact CG1-CD1 4.08Å; V250-F276 HydrophobicContact CG1-CE1 4.38Å; V250-N278 HydrophobicContact CG1-CB 4.4Å
251V95.6Very high97.6Very high10 Ų1054.7 Ų54.76%0.06125%0.25CC..  trans-127.5143.4176.9-68.90000109.5Q249 E253 G254 E256 T265 F267Q249-V251 PolarHBondContact O-N 3.03Å; V251-E253 PolarHBondContact O-N 3.2Å; V251-G254 VanDerWaalsContact CG2-C 3.44Å; V251-G254 PolarHBondContact O-N 3.27Å; V251-G254 VanDerWaalsContact O-N 3.13Å; V251-E256 HydrophobicContact CB-CB 4.04Å; V251-E256 HydrophobicContact CG1-CB 3.7Å; V251-E256 HydrophobicContact CG2-CB 4.48Å; V251-T265 HydrophobicContact CG1-CG2 3.85Å; V251-T265 HydrophobicContact CG2-CG2 4.39Å; V251-F267 HydrophobicContact CG2-CB 4Å
252E95Very high97.6Very high157 Ų15756.5 Ų56.573%0.73426%0.258SS*.THydrogen-bonded Turntrans-58.7-47-166.3-174.2171.6-169.900113.1G254 N278 A279E252-G254 VanDerWaalsContact C-N 3.3Å; E252-G254 PolarHBondContact O-N 3.5Å; E252-N278 CarbonylContact O-C 3.53Å; E252-N278 VanDerWaalsContact O-CA 3.31Å; E252-N278 WeakPolarHBondContact O-CA 3.13Å; E252-N278 WeakPolarHBondContact O-CB 3.38Å; E252-A279 PolarHBondContact O-N 3.27Å
253E95.9Very high97.7Very high111 Ų11151.8 Ų51.852%0.51923%0.233SC..THydrogen-bonded Turntrans-91.111.1-178.2-65.2-62.4139.600113.2V251 Y255V251-E253 PolarHBondContact O-N 3.2Å; E253-Y255 PolarHBondContact O-N 2.71Å
254G97.2Very high97.7Very high0 Ų050.9 Ų50.90%023%0.228CC..SBendtrans76.3-11.2-175.400000114.5V251 E252 F267 A279 A281V251-G254 VanDerWaalsContact CG2-C 3.44Å; V251-G254 PolarHBondContact O-N 3.27Å; V251-G254 VanDerWaalsContact O-N 3.13Å; E252-G254 VanDerWaalsContact C-N 3.3Å; E252-G254 PolarHBondContact O-N 3.5Å; G254-F267 WeakPolarHBondContact CA-O 3.3Å; G254-F267 PolarHBondContact O-N 3.13Å; G254-A279 WeakPolarHBondContact CA-O 3.39Å; G254-A279 PolarHBondContact N-O 3.33Å; G254-A281 VanDerWaalsContact C-CB 3.48Å; G254-A281 WeakPolarHBondContact O-CB 3.32Å
255Y98.2Very high97.7Very high75 Ų7551 Ų5129%0.29423%0.228SC..EExtended strand (participates in β ladder)trans-144.1153.2167.372-77.3000111.6E253 F257 T265 A281 F293 V295E253-Y255 PolarHBondContact O-N 2.71Å; Y255-F257 HydrophobicContact CD2-CE2 4.37Å; Y255-F257 HydrophobicContact CE2-CD2 4.46Å; Y255-F257 HydrophobicContact CE2-CE2 4.09Å; Y255-T265 CarbonylContact C-O 3.47Å; Y255-T265 WeakPolarHBondContact CA-O 3.19Å; Y255-A281 HydrophobicContact CD1-CB 4.02Å; Y255-F293 HydrophobicContact CD1-CB 4.16Å; Y255-F293 AromaticContact CD1-CD1 3.96Å; Y255-F293 HydrophobicContact CD1-CD1 3.96Å; Y255-F293 HydrophobicContact CD1-CG 4.1Å; Y255-F293 AromaticContact CD2-CD1 3.72Å; Y255-F293 HydrophobicContact CD2-CD1 3.72Å; Y255-F293 HydrophobicContact CD2-CD2 4.2Å; Y255-F293 AromaticContact CD2-CE1 3.7Å; Y255-F293 HydrophobicContact CD2-CE1 3.7Å; Y255-F293 HydrophobicContact CD2-CE2 4.2Å; Y255-F293 AromaticContact CD2-CG 3.98Å; Y255-F293 HydrophobicContact CD2-CG 3.98Å; Y255-F293 AromaticContact CD2-CZ 3.96Å; Y255-F293 HydrophobicContact CD2-CZ 3.96Å; Y255-F293 HydrophobicContact CE1-CB 4.03Å; Y255-F293 HydrophobicContact CE1-CD1 4.48Å; Y255-F293 HydrophobicContact CE1-CG 4.17Å; Y255-F293 HydrophobicContact CE2-CD1 4.26Å; Y255-F293 AromaticContact CE2-CD2 3.97Å; Y255-F293 HydrophobicContact CE2-CD2 3.97Å; Y255-F293 HydrophobicContact CE2-CE1 4.41Å; Y255-F293 HydrophobicContact CE2-CE2 4.15Å; Y255-F293 HydrophobicContact CE2-CG 4.04Å; Y255-F293 HydrophobicContact CE2-CZ 4.37Å; Y255-F293 AromaticContact CG-CD1 3.55Å; Y255-F293 HydrophobicContact CG-CD1 3.55Å; Y255-F293 AromaticContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CG 4.02Å; Y255-V295 HydrophobicContact CD1-CG2 4.39Å; Y255-V295 HydrophobicContact CE1-CG2 3.96Å
256E98.2Very high97.7Very high116 Ų11651 Ų5154%0.54223%0.228SC..EExtended strand (participates in β ladder)trans-146.7138.5175.5-172.5175.4-135.700111.1V251 V264 T265V251-E256 HydrophobicContact CB-CB 4.04Å; V251-E256 HydrophobicContact CG1-CB 3.7Å; V251-E256 HydrophobicContact CG2-CB 4.48Å; E256-V264 WeakPolarHBondContact O-CA 3.49Å; E256-T265 PolarHBondContact N-O 2.97Å; E256-T265 PolarHBondContact O-N 3.1Å
257F98.3Very high97.6Very high61 Ų6151.1 Ų51.127%0.26823%0.229SC..EExtended strand (participates in β ladder)trans-92140.1174-76.3-68.1000111.9Y255 R261 L263 V264 F293Y255-F257 HydrophobicContact CD2-CE2 4.37Å; Y255-F257 HydrophobicContact CE2-CD2 4.46Å; Y255-F257 HydrophobicContact CE2-CE2 4.09Å; F257-R261 HydrophobicContact CB-CB 4.3Å; F257-R261 HydrophobicContact CB-CG 3.94Å; F257-R261 HydrophobicContact CD1-CB 3.69Å; F257-R261 HydrophobicContact CD1-CG 4.03Å; F257-R261 HydrophobicContact CD2-CG 4.27Å; F257-R261 HydrophobicContact CE1-CB 4.15Å; F257-R261 HydrophobicContact CG-CB 4.02Å; F257-R261 HydrophobicContact CG-CG 3.83Å; F257-L263 WeakPolarHBondContact CA-O 3.08Å; F257-V264 HydrophobicContact CD1-CB 4.06Å; F257-V264 HydrophobicContact CD1-CG2 4.29Å; F257-V264 HydrophobicContact CE1-CB 4.03Å; F257-V264 HydrophobicContact CE1-CG2 4.17Å; F257-F293 HydrophobicContact CE1-CZ 4.25Å; F257-F293 HydrophobicContact CE2-CE2 4.07Å; F257-F293 HydrophobicContact CE2-CZ 4.23Å; F257-F293 AromaticContact CZ-CE2 3.65Å; F257-F293 HydrophobicContact CZ-CE2 3.65Å; F257-F293 AromaticContact CZ-CZ 3.62Å; F257-F293 HydrophobicContact CZ-CZ 3.62Å
258F98.3Very high97.6Very high32 Ų3251.1 Ų51.114%0.1423%0.229CC..EExtended strand (participates in β ladder)trans-127.7164.6175.6-178.3-101.8000110.9P209 K211 P229 V232 K260 R261 Q262 L263P209-F258 HydrophobicContact CB-CD1 3.76Å; P209-F258 HydrophobicContact CB-CD2 4.16Å; P209-F258 HydrophobicContact CB-CE1 3.7Å; P209-F258 HydrophobicContact CB-CE2 4.11Å; P209-F258 HydrophobicContact CB-CG 3.98Å; P209-F258 HydrophobicContact CB-CZ 3.86Å; K211-F258 HydrophobicContact CB-CE2 4.08Å; P229-F258 HydrophobicContact CB-CE1 4.31Å; P229-F258 HydrophobicContact CB-CZ 4.29Å; P229-F258 VanDerWaalsContact CD-CZ 3.47Å; P229-F258 HydrophobicContact CG-CE1 4Å; P229-F258 HydrophobicContact CG-CE2 3.99Å; P229-F258 HydrophobicContact CG-CZ 3.5Å; V232-F258 HydrophobicContact CG2-CD1 4.1Å; V232-F258 HydrophobicContact CG2-CE1 3.92Å; F258-K260 PolarHBondContact O-N 2.96Å; F258-R261 WeakPolarHBondContact O-CA 3.03Å; F258-R261 PolarHBondContact O-N 3.4Å; F258-Q262 PolarHBondContact O-N 3.32Å; F258-Q262 VanDerWaalsContact O-N 3.15Å; F258-L263 HydrophobicContact CB-CB 4.22Å; F258-L263 HydrophobicContact CB-CD2 3.87Å; F258-L263 HydrophobicContact CD1-CB 4.28Å; F258-L263 PolarHBondContact N-O 3.23Å; F258-L263 PolarHBondContact O-N 3.13Å
259A97.8Very high97.6Very high9 Ų950.8 Ų50.87%0.07423%0.228CC..THydrogen-bonded Turntrans48.452.517500000114.2P229 V232 R261 Q262P229-A259 HydrophobicContact CB-CB 3.9Å; V232-A259 HydrophobicContact CB-CB 3.84Å; V232-A259 HydrophobicContact CG1-CB 3.8Å; V232-A259 HydrophobicContact CG2-CB 4.26Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-R261 PolarHBondContact O-N 2.96Å; A259-Q262 HydrophobicContact CB-CB 4.31Å; A259-Q262 WeakPolarHBondContact O-CB 3.13Å; A259-Q262 VanDerWaalsContact O-CG 3.24Å; A259-Q262 WeakPolarHBondContact O-CG 2.94Å; A259-Q262 PolarHBondContact O-N 3.12Å
260K97Very high97.5Very high206 Ų20649.2 Ų49.290%0.89622%0.22SC*.THydrogen-bonded Turntrans57.642.1-176.2-54.1177.6-179.5177.60113F258 Q262F258-K260 PolarHBondContact O-N 2.96Å; K260-Q262 PolarHBondContact O-N 3Å
261R97.8Very high97.4Very high165 Ų16549.4 Ų49.462%0.62322%0.221SC*.THydrogen-bonded Turntrans67.416.8-179.6-49.9171.262.3109-1.7114.7F257 F258 A259F257-R261 HydrophobicContact CB-CB 4.3Å; F257-R261 HydrophobicContact CB-CG 3.94Å; F257-R261 HydrophobicContact CD1-CB 3.69Å; F257-R261 HydrophobicContact CD1-CG 4.03Å; F257-R261 HydrophobicContact CD2-CG 4.27Å; F257-R261 HydrophobicContact CE1-CB 4.15Å; F257-R261 HydrophobicContact CG-CB 4.02Å; F257-R261 HydrophobicContact CG-CG 3.83Å; F258-R261 WeakPolarHBondContact O-CA 3.03Å; F258-R261 PolarHBondContact O-N 3.4Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-R261 PolarHBondContact O-N 2.96Å
262Q98.5Very high97.2Very high54 Ų5449.1 Ų49.125%0.25222%0.218SC..THydrogen-bonded Turntrans-82.9-14.1174.6-68.2-167.2-61.800113.4V232 S233 L236 L243 I244 F258 A259 K260V232-Q262 HydrophobicContact CG1-CB 3.9Å; S233-Q262 PolarHBondContact OG-OE1 2.89Å; L236-Q262 HydrophobicContact CD1-CB 3.57Å; L236-Q262 HydrophobicContact CD1-CG 4.13Å; L236-Q262 WeakPolarHBondContact CD1-O 3.35Å; L243-Q262 WeakPolarHBondContact CA-O 3.42Å; I244-Q262 PolarHBondContact N-O 3.02Å; F258-Q262 PolarHBondContact O-N 3.32Å; F258-Q262 VanDerWaalsContact O-N 3.15Å; A259-Q262 HydrophobicContact CB-CB 4.31Å; A259-Q262 WeakPolarHBondContact O-CB 3.13Å; A259-Q262 VanDerWaalsContact O-CG 3.24Å; A259-Q262 WeakPolarHBondContact O-CG 2.94Å; A259-Q262 PolarHBondContact O-N 3.12Å; K260-Q262 PolarHBondContact O-N 3Å
263L98.8Very high96.8Very high0 Ų044.2 Ų44.20%020%0.201CC..EExtended strand (participates in β ladder)trans-129.5139.6169.5179.9153.9000108.6P209 F227 V232 I244 R246 F257 F258P209-L263 HydrophobicContact CG-CD2 4.19Å; F227-L263 HydrophobicContact CE2-CD1 3.82Å; F227-L263 HydrophobicContact CZ-CD1 4Å; V232-L263 HydrophobicContact CG1-CB 4.14Å; V232-L263 HydrophobicContact CG2-CB 4.49Å; V232-L263 HydrophobicContact CG2-CD1 4.04Å; I244-L263 HydrophobicContact CB-CB 4.14Å; I244-L263 HydrophobicContact CB-CD1 4.04Å; I244-L263 HydrophobicContact CB-CG 3.98Å; I244-L263 HydrophobicContact CD1-CD1 4.3Å; I244-L263 HydrophobicContact CG2-CD1 3.85Å; I244-L263 HydrophobicContact CG2-CG 4.07Å; I244-L263 CarbonylContact O-C 3.31Å; I244-L263 VanDerWaalsContact O-CA 3.27Å; I244-L263 WeakPolarHBondContact O-CA 3.37Å; R246-L263 HydrophobicContact CG-CD1 4.31Å; R246-L263 HydrophobicContact CG-CD2 3.97Å; R246-L263 HydrophobicContact CG-CG 4.28Å; F257-L263 WeakPolarHBondContact CA-O 3.08Å; F258-L263 HydrophobicContact CB-CB 4.22Å; F258-L263 HydrophobicContact CB-CD2 3.87Å; F258-L263 HydrophobicContact CD1-CB 4.28Å; F258-L263 PolarHBondContact N-O 3.23Å; F258-L263 PolarHBondContact O-N 3.13Å
264V98.7Very high96.1Very high0 Ų041 Ų410%020%0.197CC..EExtended strand (participates in β ladder)trans-121.5129.9170.663.80000110L243 I244 C245 R246 E256 F257 L266 M283 F293L243-V264 HydrophobicContact CD1-CB 4.48Å; L243-V264 HydrophobicContact CD1-CG1 4.16Å; L243-V264 HydrophobicContact CD2-CG1 4.14Å; L243-V264 HydrophobicContact CG-CG1 4.36Å; I244-V264 PolarHBondContact O-N 2.91Å; C245-V264 WeakPolarHBondContact CA-O 3.29Å; C245-V264 HydrophobicContact CB-CG1 3.96Å; R246-V264 PolarHBondContact N-O 3.35Å; E256-V264 WeakPolarHBondContact O-CA 3.49Å; F257-V264 HydrophobicContact CD1-CB 4.06Å; F257-V264 HydrophobicContact CD1-CG2 4.29Å; F257-V264 HydrophobicContact CE1-CB 4.03Å; F257-V264 HydrophobicContact CE1-CG2 4.17Å; V264-L266 HydrophobicContact CG2-CD2 4.3Å; V264-M283 HydrophobicContact CG1-CE 4.24Å; V264-M283 HydrophobicContact CG1-SD 3.99Å; V264-F293 HydrophobicContact CG2-CE1 3.79Å; V264-F293 HydrophobicContact CG2-CZ 3.92Å
265T98.8Very high95.3Very high2 Ų248.2 Ų48.21%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-93.6133.4168.7-61.80000108.4R246 Q249 V251 Y255 E256R246-T265 WeakPolarHBondContact CD-OG1 3.49Å; R246-T265 CarbonylContact O-C 3.43Å; R246-T265 WeakPolarHBondContact O-CA 3.4Å; Q249-T265 HydrophobicContact CB-CG2 4.11Å; V251-T265 HydrophobicContact CG1-CG2 3.85Å; V251-T265 HydrophobicContact CG2-CG2 4.39Å; Y255-T265 CarbonylContact C-O 3.47Å; Y255-T265 WeakPolarHBondContact CA-O 3.19Å; E256-T265 PolarHBondContact N-O 2.97Å; E256-T265 PolarHBondContact O-N 3.1Å
266L98.6Very high94.5Very high0 Ų047.1 Ų47.10%023%0.228CC..EExtended strand (participates in β ladder)trans-118.5134.2175-67-178.9000110.6L61 L90 C245 R246 A247 V264 M283 F293L61-L266 HydrophobicContact CB-CD1 3.87Å; L90-L266 HydrophobicContact CD1-CD1 4.32Å; C245-L266 WeakPolarHBondContact SG-CD1 3.48Å; R246-L266 PolarHBondContact O-N 2.9Å; A247-L266 WeakPolarHBondContact CA-O 3.49Å; A247-L266 WeakPolarHBondContact CB-O 3.06Å; V264-L266 HydrophobicContact CG2-CD2 4.3Å; L266-M283 HydrophobicContact CD1-CB 3.73Å; L266-M283 HydrophobicContact CD2-CB 4.02Å; L266-F293 HydrophobicContact CD2-CD1 4.09Å; L266-F293 HydrophobicContact CD2-CE1 3.87Å
267F98.4Very high94.2Very high2 Ų247.4 Ų47.41%0.00923%0.233CC..BIsolated β-bridgetrans-133.8118172.9-160.4-95.3000108.3D64 Q249 V250 V251 G254 A269 Y272 G280 A281D64-F267 HydrophobicContact CB-CD2 3.76Å; D64-F267 HydrophobicContact CB-CE2 3.38Å; D64-F267 HydrophobicContact CB-CZ 3.88Å; D64-F267 WeakPolarHBondContact OD1-CD2 3.41Å; Q249-F267 WeakPolarHBondContact O-CD2 3.32Å; V250-F267 HydrophobicContact CB-CE1 4.48Å; V250-F267 HydrophobicContact CB-CE2 4.39Å; V250-F267 HydrophobicContact CB-CZ 4.4Å; V250-F267 HydrophobicContact CG1-CD1 4.26Å; V250-F267 HydrophobicContact CG1-CE1 4.21Å; V250-F267 HydrophobicContact CG2-CD2 4.31Å; V250-F267 HydrophobicContact CG2-CE1 4.05Å; V250-F267 HydrophobicContact CG2-CE2 3.72Å; V250-F267 HydrophobicContact CG2-CZ 3.59Å; V251-F267 HydrophobicContact CG2-CB 4Å; G254-F267 WeakPolarHBondContact CA-O 3.3Å; G254-F267 PolarHBondContact O-N 3.13Å; F267-A269 HydrophobicContact CD1-CB 4.28Å; F267-A269 HydrophobicContact CE1-CB 3.68Å; F267-A269 WeakPolarHBondContact CE1-O 3.36Å; F267-A269 HydrophobicContact CZ-CB 4.28Å; F267-Y272 HydrophobicContact CE1-CD1 4.37Å; F267-Y272 AromaticContact CE1-CD2 3.93Å; F267-Y272 HydrophobicContact CE1-CD2 3.93Å; F267-Y272 AromaticContact CE1-CG 3.82Å; F267-Y272 HydrophobicContact CE1-CG 3.82Å; F267-Y272 HydrophobicContact CZ-CD1 4.09Å; F267-Y272 AromaticContact CZ-CD2 3.77Å; F267-Y272 HydrophobicContact CZ-CD2 3.77Å; F267-Y272 HydrophobicContact CZ-CE1 4.25Å; F267-Y272 AromaticContact CZ-CE2 3.95Å; F267-Y272 HydrophobicContact CZ-CE2 3.95Å; F267-Y272 AromaticContact CZ-CG 3.84Å; F267-Y272 HydrophobicContact CZ-CG 3.84Å; F267-G280 CarbonylContact O-C 3.58Å; F267-G280 WeakPolarHBondContact O-CA 3.45Å; F267-A281 PolarHBondContact O-N 2.98Å
268S98.4Very high94Very high0 Ų044.8 Ų44.80%022%0.222CC..  trans-101.3-1.7-168-61.40000114G63 D64 P270 A281G63-S268 PolarHBondContact N-OG 2.99Å; D64-S268 CarbonylContact O-C 3.57Å; D64-S268 WeakPolarHBondContact O-CA 3.26Å; D64-S268 WeakPolarHBondContact O-CB 3.35Å; D64-S268 PolarHBondContact O-N 3.45Å; S268-P270 WeakPolarHBondContact O-CD 3.27Å; S268-A281 WeakPolarHBondContact CB-O 3.37Å; S268-A281 PolarHBondContact OG-O 3.32Å
269A96.8Very high93.9Very high1 Ų143.7 Ų43.71%0.00822%0.218CC..  trans-97.1100.3179.600000111.8D64 F267 Y272 N278D64-A269 PolarHBondContact O-N 3.06Å; D64-A269 VanDerWaalsContact O-N 3.09Å; F267-A269 HydrophobicContact CD1-CB 4.28Å; F267-A269 HydrophobicContact CE1-CB 3.68Å; F267-A269 WeakPolarHBondContact CE1-O 3.36Å; F267-A269 HydrophobicContact CZ-CB 4.28Å; A269-Y272 HydrophobicContact CB-CD2 4.29Å; A269-N278 PolarHBondContact O-ND2 2.87Å
270P95.7Very high93.9Very high2 Ų243.2 Ų43.21%0.01322%0.215CC..THydrogen-bonded Turntrans-72.7151.9178.231.1-36.5000112.2Q68 D71 S268 Y272 N278 L296Q68-P270 PolarHBondContact NE2-O 2.96Å; D71-P270 HydrophobicContact CB-CG 3.99Å; D71-P270 WeakPolarHBondContact OD1-CG 3.23Å; S268-P270 WeakPolarHBondContact O-CD 3.27Å; P270-Y272 PolarHBondContact O-N 3.11Å; P270-N278 CarbonylContact C-O 3.59Å; P270-N278 WeakPolarHBondContact CA-O 3.16Å; P270-L296 WeakPolarHBondContact CB-O 3.4Å; P270-L296 HydrophobicContact CG-CD2 3.95Å; P270-L296 HydrophobicContact CG-CG 4.29Å
271N93.9Very high93.9Very high35 Ų3533.4 Ų33.419%0.18717%0.172CC..THydrogen-bonded Turntrans42.353.6-175.1-175.541000110.7C273 G274 E275 D277 N278 P298N271-C273 PolarHBondContact O-N 3.07Å; N271-G274 WeakPolarHBondContact ND2-CA 3.48Å; N271-G274 PolarHBondContact ND2-O 2.8Å; N271-G274 VanDerWaalsContact O-CA 3.32Å; N271-G274 WeakPolarHBondContact O-CA 3.47Å; N271-G274 PolarHBondContact O-N 2.91Å; N271-G274 VanDerWaalsContact OD1-C 3.3Å; N271-G274 PolarHBondContact OD1-O 3.23Å; N271-E275 PolarHBondContact OD1-N 2.98Å; N271-D277 PolarHBondContact OD1-N 2.98Å; N271-D277 VanDerWaalsContact OD1-N 3.16Å; N271-N278 PolarHBondContact N-O 3Å; N271-N278 PolarHBondContact N-OD1 3.37Å; N271-P298 HydrophobicContact CB-CB 3.9Å; N271-P298 HydrophobicContact CB-CG 3.97Å
272Y91.5Very high93.9Very high4 Ų425.7 Ų25.72%0.01614%0.143CC..G310 helixtrans-50140.3-172.9-179.1-128.7000110.7H66 R96 V250 F267 A269 P270 G274 E275 F276 N278H66-Y272 HydrophobicContact CB-CE2 3.91Å; H66-Y272 AromaticContact CD2-CE2 3.31Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.37Å; H66-Y272 AromaticContact CD2-CZ 3.62Å; H66-Y272 PolarHBondContact CD2-OH 2.93Å; H66-Y272 VanDerWaalsContact CD2-OH 3.25Å; H66-Y272 AromaticContact CG-CE2 3.84Å; H66-Y272 AromaticContact NE2-CZ 3.92Å; H66-Y272 PolarHBondContact NE2-OH 3.06Å; H66-Y272 VanDerWaalsContact NE2-OH 3.11Å; R96-Y272 HydrophobicContact CB-CE2 4.42Å; R96-Y272 HydrophobicContact CG-CE2 4.48Å; R96-Y272 WeakPolarHBondContact CG-OH 3.22Å; R96-Y272 PolarHBondContact NH1-OH 3.29Å; V250-Y272 HydrophobicContact CG2-CD1 3.56Å; V250-Y272 HydrophobicContact CG2-CE1 3.75Å; V250-Y272 HydrophobicContact CG2-CG 4.38Å; F267-Y272 HydrophobicContact CE1-CD1 4.37Å; F267-Y272 AromaticContact CE1-CD2 3.93Å; F267-Y272 HydrophobicContact CE1-CD2 3.93Å; F267-Y272 AromaticContact CE1-CG 3.82Å; F267-Y272 HydrophobicContact CE1-CG 3.82Å; F267-Y272 HydrophobicContact CZ-CD1 4.09Å; F267-Y272 AromaticContact CZ-CD2 3.77Å; F267-Y272 HydrophobicContact CZ-CD2 3.77Å; F267-Y272 HydrophobicContact CZ-CE1 4.25Å; F267-Y272 AromaticContact CZ-CE2 3.95Å; F267-Y272 HydrophobicContact CZ-CE2 3.95Å; F267-Y272 AromaticContact CZ-CG 3.84Å; F267-Y272 HydrophobicContact CZ-CG 3.84Å; A269-Y272 HydrophobicContact CB-CD2 4.29Å; P270-Y272 PolarHBondContact O-N 3.11Å; Y272-G274 PolarHBondContact O-N 3.3Å; Y272-E275 PolarHBondContact O-N 3.13Å; Y272-F276 AromaticContact CD1-CD2 3.88Å; Y272-F276 HydrophobicContact CD1-CD2 3.88Å; Y272-F276 HydrophobicContact CD1-CE1 4.47Å; Y272-F276 AromaticContact CD1-CE2 3.55Å; Y272-F276 HydrophobicContact CD1-CE2 3.55Å; Y272-F276 HydrophobicContact CD1-CG 4.37Å; Y272-F276 AromaticContact CD1-CZ 3.84Å; Y272-F276 HydrophobicContact CD1-CZ 3.84Å; Y272-F276 HydrophobicContact CE1-CE2 4.18Å; Y272-F276 HydrophobicContact CE1-CZ 4.29Å; Y272-F276 HydrophobicContact CG-CD2 4.36Å; Y272-F276 HydrophobicContact CG-CE2 4.41Å; Y272-F276 WeakPolarHBondContact O-CD2 3.4Å; Y272-F276 PolarHBondContact O-N 3Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.36Å; Y272-N278 PolarHBondContact N-OD1 3.26Å
273C85.1Confident93.9Very high53 Ų5323.1 Ų23.136%0.35813%0.131SC..G310 helixtrans536.4-173.7-670000115.9N271 F276N271-C273 PolarHBondContact O-N 3.07Å; C273-F276 HydrophobicContact CB-CD2 4.37Å; C273-F276 HydrophobicContact CB-CE2 4.22Å
274G81.2Confident93.9Very high43 Ų4324.4 Ų24.444%0.44314%0.14SC..G310 helixtrans82.93.9-173.100000115.5N271 Y272N271-G274 WeakPolarHBondContact ND2-CA 3.48Å; N271-G274 PolarHBondContact ND2-O 2.8Å; N271-G274 VanDerWaalsContact O-CA 3.32Å; N271-G274 WeakPolarHBondContact O-CA 3.47Å; N271-G274 PolarHBondContact O-N 2.91Å; N271-G274 VanDerWaalsContact OD1-C 3.3Å; N271-G274 PolarHBondContact OD1-O 3.23Å; Y272-G274 PolarHBondContact O-N 3.3Å
275E80.8Confident93.9Very high152 Ų15224.5 Ų24.571%0.7114%0.141SC*.THydrogen-bonded Turntrans-126.4-25-165.3-64.7-176.7167.500114.7N271 Y272N271-E275 PolarHBondContact OD1-N 2.98Å; Y272-E275 PolarHBondContact O-N 3.13Å
276F82.7Confident93.8Very high52 Ų5226.8 Ų26.823%0.22815%0.153CC..SBendtrans-85.4-16.7-166.5-78.7-105.2000115V250 Y272 C273 N278 P318 L319V250-F276 HydrophobicContact CG1-CD1 4.08Å; V250-F276 HydrophobicContact CG1-CE1 4.38Å; Y272-F276 AromaticContact CD1-CD2 3.88Å; Y272-F276 HydrophobicContact CD1-CD2 3.88Å; Y272-F276 HydrophobicContact CD1-CE1 4.47Å; Y272-F276 AromaticContact CD1-CE2 3.55Å; Y272-F276 HydrophobicContact CD1-CE2 3.55Å; Y272-F276 HydrophobicContact CD1-CG 4.37Å; Y272-F276 AromaticContact CD1-CZ 3.84Å; Y272-F276 HydrophobicContact CD1-CZ 3.84Å; Y272-F276 HydrophobicContact CE1-CE2 4.18Å; Y272-F276 HydrophobicContact CE1-CZ 4.29Å; Y272-F276 HydrophobicContact CG-CD2 4.36Å; Y272-F276 HydrophobicContact CG-CE2 4.41Å; Y272-F276 WeakPolarHBondContact O-CD2 3.4Å; Y272-F276 PolarHBondContact O-N 3Å; C273-F276 HydrophobicContact CB-CD2 4.37Å; C273-F276 HydrophobicContact CB-CE2 4.22Å; F276-N278 HydrophobicContact CB-CB 4.45Å; F276-N278 VanDerWaalsContact CB-OD1 3.26Å; F276-N278 WeakPolarHBondContact CB-OD1 3.36Å; F276-N278 PolarHBondContact O-N 3.11Å; F276-P318 HydrophobicContact CE1-CG 4.46Å; F276-P318 HydrophobicContact CE2-CB 3.59Å; F276-P318 HydrophobicContact CE2-CG 3.3Å; F276-P318 HydrophobicContact CZ-CB 3.47Å; F276-P318 VanDerWaalsContact CZ-CB 3.47Å; F276-P318 HydrophobicContact CZ-CG 3.27Å; F276-L319 HydrophobicContact CD1-CD2 4.46Å; F276-L319 HydrophobicContact CE1-CD2 3.66Å; F276-L319 HydrophobicContact CE1-CG 4.02Å
277D90.3Very high93.7Very high123 Ų12332.6 Ų32.666%0.65818%0.184SC*.  trans54.86.3-175-152.534.2000115.6N271N271-D277 PolarHBondContact OD1-N 2.98Å; N271-D277 VanDerWaalsContact OD1-N 3.16Å
278N95Very high93.6Very high6 Ų637.9 Ų37.93%0.03222%0.216CC..PPolyproline II helixtrans-63151177.470.2-70.5000111.2V250 E252 A269 P270 N271 Y272 F276 P298V250-N278 HydrophobicContact CG1-CB 4.4Å; E252-N278 CarbonylContact O-C 3.53Å; E252-N278 VanDerWaalsContact O-CA 3.31Å; E252-N278 WeakPolarHBondContact O-CA 3.13Å; E252-N278 WeakPolarHBondContact O-CB 3.38Å; A269-N278 PolarHBondContact O-ND2 2.87Å; P270-N278 CarbonylContact C-O 3.59Å; P270-N278 WeakPolarHBondContact CA-O 3.16Å; N271-N278 PolarHBondContact N-O 3Å; N271-N278 PolarHBondContact N-OD1 3.37Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.36Å; Y272-N278 PolarHBondContact N-OD1 3.26Å; F276-N278 HydrophobicContact CB-CB 4.45Å; F276-N278 VanDerWaalsContact CB-OD1 3.26Å; F276-N278 WeakPolarHBondContact CB-OD1 3.36Å; F276-N278 PolarHBondContact O-N 3.11Å; N278-P298 WeakPolarHBondContact O-CG 3.46Å
279A95.8Very high93.4Very high8 Ų840.1 Ų40.17%0.06623%0.228CC..PPolyproline II helixtrans-74.1156.2162.100000111E252 G254 V295E252-A279 PolarHBondContact O-N 3.27Å; G254-A279 WeakPolarHBondContact CA-O 3.39Å; G254-A279 PolarHBondContact N-O 3.33Å; A279-V295 HydrophobicContact CB-CG1 3.57Å
280G97.3Very high93.4Very high0 Ų045.5 Ų45.50%026%0.255CS..EExtended strand (participates in β ladder)trans-95.3155.7159.800000109.1F267 V295 L296F267-G280 CarbonylContact O-C 3.58Å; F267-G280 WeakPolarHBondContact O-CA 3.45Å; G280-V295 CarbonylContact O-C 3.56Å; G280-L296 PolarHBondContact N-O 2.63Å; G280-L296 WeakPolarHBondContact O-CA 3.17Å; G280-L296 PolarHBondContact O-N 3.27Å
281A98Very high93.5Very high0 Ų047.5 Ų47.50%027%0.268CS..EExtended strand (participates in β ladder)trans-139.7161.2171.300000112.5G254 Y255 F267 S268 K294G254-A281 VanDerWaalsContact C-CB 3.48Å; G254-A281 WeakPolarHBondContact O-CB 3.32Å; Y255-A281 HydrophobicContact CD1-CB 4.02Å; F267-A281 PolarHBondContact O-N 2.98Å; S268-A281 WeakPolarHBondContact CB-O 3.37Å; S268-A281 PolarHBondContact OG-O 3.32Å; A281-K294 WeakPolarHBondContact CA-O 3.43Å
282M98.2Very high93.7Very high2 Ų248 Ų481%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-130.5140.1169.9178.4-177.574.800108N60 L61 L75 Y87 F293 K294N60-M282 HydrophobicContact CB-CE 4.25Å; N60-M282 HydrophobicContact CB-CG 4.13Å; N60-M282 HydrophobicContact CB-SD 3.65Å; L61-M282 WeakPolarHBondContact O-CA 3.39Å; L61-M282 VanDerWaalsContact O-CG 3.32Å; L61-M282 WeakPolarHBondContact O-CG 3.36Å; L75-M282 HydrophobicContact CD2-CB 4.31Å; Y87-M282 HydrophobicContact CE1-SD 3.76Å; M282-F293 WeakPolarHBondContact O-CA 3.25Å; M282-K294 HydrophobicContact CE-CB 4.26Å; M282-K294 HydrophobicContact CE-CD 3.62Å; M282-K294 HydrophobicContact CE-CG 4.24Å; M282-K294 PolarHBondContact N-O 3.05Å; M282-K294 PolarHBondContact O-N 3.26Å
283M98.5Very high94Very high0 Ų050 Ų500%029%0.286CS..EExtended strand (participates in β ladder)trans-104.3121.8175.7-176.3175.272.800109.7N60 L61 L243 C245 V264 L266 V285 C291 A292 F293N60-M283 CarbonylContact C-O 3.44Å; L61-M283 HydrophobicContact CB-CB 4.41Å; L61-M283 HydrophobicContact CB-CE 4.45Å; L61-M283 HydrophobicContact CD1-CE 4.46Å; L61-M283 HydrophobicContact CD2-CE 3.76Å; L61-M283 HydrophobicContact CG-CE 4.45Å; L61-M283 PolarHBondContact N-O 3.02Å; L61-M283 PolarHBondContact O-N 3.16Å; L243-M283 HydrophobicContact CD2-CE 4.46Å; C245-M283 HydrophobicContact CB-CE 4.04Å; C245-M283 VanDerWaalsContact SG-CE 3.55Å; V264-M283 HydrophobicContact CG1-CE 4.24Å; V264-M283 HydrophobicContact CG1-SD 3.99Å; L266-M283 HydrophobicContact CD1-CB 3.73Å; L266-M283 HydrophobicContact CD2-CB 4.02Å; M283-V285 HydrophobicContact CE-CG2 3.91Å; M283-C291 HydrophobicContact CG-CB 4.16Å; M283-C291 HydrophobicContact SD-CB 3.86Å; M283-A292 CarbonylContact C-O 3.25Å; M283-A292 WeakPolarHBondContact CA-O 3.37Å; M283-F293 HydrophobicContact CB-CD1 4.03Å; M283-F293 HydrophobicContact CB-CE1 3.91Å; M283-F293 HydrophobicContact CG-CD1 4.2Å; M283-F293 HydrophobicContact CG-CE1 3.81Å; M283-F293 HydrophobicContact CG-CZ 4.15Å; M283-F293 HydrophobicContact SD-CE1 3.75Å; M283-F293 HydrophobicContact SD-CZ 3.79Å
284S98.1Very high94.5Very high28 Ų2851 Ų5120%0.19628%0.284CS..EExtended strand (participates in β ladder)trans-90.1131.916757.30000109.6L59 N60 C291 A292L59-S284 WeakPolarHBondContact O-CA 3.44Å; N60-S284 WeakPolarHBondContact OD1-CB 3.4Å; S284-C291 WeakPolarHBondContact O-CA 3.5Å; S284-A292 PolarHBondContact N-O 3.11Å; S284-A292 PolarHBondContact O-N 2.48Å; S284-A292 PolarHBondContact OG-O 3.46Å
285V98.2Very high95.3Very high2 Ų251.9 Ų51.91%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-110.6123168.8-177.30000106.8A57 P58 L59 L61 I169 M283 L289A57-V285 HydrophobicContact CB-CG1 4.17Å; P58-V285 CarbonylContact C-O 3.5Å; P58-V285 WeakPolarHBondContact CA-O 3.31Å; L59-V285 PolarHBondContact N-O 3.27Å; L59-V285 PolarHBondContact O-N 3.07Å; L61-V285 HydrophobicContact CD1-CG2 3.83Å; I169-V285 HydrophobicContact CD1-CG1 3.89Å; I169-V285 HydrophobicContact CD1-CG2 3.99Å; M283-V285 HydrophobicContact CE-CG2 3.91Å; V285-L289 HydrophobicContact CG1-CD2 3.62Å
286D97.3Very high95.9Very high50 Ų5045.4 Ų45.427%0.26725%0.251SS..  trans-93.1177175.772.316.5000112.5A57 T288 L289 M290A57-D286 VanDerWaalsContact CB-O 3.24Å; A57-D286 WeakPolarHBondContact CB-O 3.44Å; D286-T288 PolarHBondContact O-N 3.13Å; D286-T288 WeakPolarHBondContact OD1-CA 3.38Å; D286-T288 WeakPolarHBondContact OD1-CB 3.48Å; D286-T288 PolarHBondContact OD1-N 3.19Å; D286-T288 PolarHBondContact OD1-OG1 3.29Å; D286-L289 WeakPolarHBondContact O-CA 3.34Å; D286-L289 PolarHBondContact O-N 2.9Å; D286-L289 PolarHBondContact OD1-N 3.42Å; D286-M290 PolarHBondContact N-O 3.18Å; D286-M290 WeakPolarHBondContact OD1-CB 3.32Å; D286-M290 PolarHBondContact OD1-N 3.3Å; D286-M290 WeakPolarHBondContact OD2-CE 3.35Å
287D95.7Very high96.4Very high122 Ų12250.4 Ų50.465%0.65227%0.273SS*.THydrogen-bonded Turntrans-60.8-13.3-178.1-49.3-21.6000113.8P58P58-D287 WeakPolarHBondContact CD-OD1 3.36Å; P58-D287 WeakPolarHBondContact CG-OD1 3.21Å
288T96.4Very high96.4Very high112 Ų11246.2 Ų46.269%0.68725%0.252SS*.THydrogen-bonded Turntrans-98.47.5174.571.60000112.7D286 M290D286-T288 PolarHBondContact O-N 3.13Å; D286-T288 WeakPolarHBondContact OD1-CA 3.38Å; D286-T288 WeakPolarHBondContact OD1-CB 3.48Å; D286-T288 PolarHBondContact OD1-N 3.19Å; D286-T288 PolarHBondContact OD1-OG1 3.29Å; T288-M290 PolarHBondContact O-N 2.93Å
289L95.1Very high95.9Very high48 Ų4848.4 Ų48.425%0.25127%0.271SS..  trans6118.4-171.6-64.9177000114.4A57 I165 D166 K168 I169 V285 D286 C291A57-L289 HydrophobicContact CB-CD2 4.44Å; I165-L289 HydrophobicContact CG2-CD2 4.44Å; D166-L289 HydrophobicContact CB-CD1 4.17Å; D166-L289 HydrophobicContact CB-CD2 3.97Å; D166-L289 HydrophobicContact CB-CG 4.4Å; D166-L289 WeakPolarHBondContact OD2-CD2 3.05Å; K168-L289 HydrophobicContact CB-CD1 3.66Å; K168-L289 HydrophobicContact CG-CD1 3.8Å; I169-L289 HydrophobicContact CD1-CD2 4.08Å; V285-L289 HydrophobicContact CG1-CD2 3.62Å; D286-L289 WeakPolarHBondContact O-CA 3.34Å; D286-L289 PolarHBondContact O-N 2.9Å; D286-L289 PolarHBondContact OD1-N 3.42Å; L289-C291 PolarHBondContact O-N 3.32Å
290M96.5Very high94.8Very high114 Ų11454 Ų5456%0.56230%0.3SS*.  trans-71.6122.8174.4-174.7176.854.600109.5D286 T288D286-M290 PolarHBondContact N-O 3.18Å; D286-M290 WeakPolarHBondContact OD1-CB 3.32Å; D286-M290 PolarHBondContact OD1-N 3.3Å; D286-M290 WeakPolarHBondContact OD2-CE 3.35Å; T288-M290 PolarHBondContact O-N 2.93Å
291C97.6Very high93Very high43 Ų4360.6 Ų60.629%0.29133%0.328SS..EExtended strand (participates in β ladder)trans-91.8123.6178.5-62.20000110.7M283 S284 L289M283-C291 HydrophobicContact CG-CB 4.16Å; M283-C291 HydrophobicContact SD-CB 3.86Å; S284-C291 WeakPolarHBondContact O-CA 3.5Å; L289-C291 PolarHBondContact O-N 3.32Å
292A97.7Very high90.7Very high45 Ų4570 Ų7037%0.37237%0.369SS..EExtended strand (participates in β ladder)trans-125.1148.7171.900000110.9M283 S284M283-A292 CarbonylContact C-O 3.25Å; M283-A292 WeakPolarHBondContact CA-O 3.37Å; S284-A292 PolarHBondContact N-O 3.11Å; S284-A292 PolarHBondContact O-N 2.48Å; S284-A292 PolarHBondContact OG-O 3.46Å
293F97.8Very high88.2Confident46 Ų4681 Ų8120%0.20241%0.411CS..EExtended strand (participates in β ladder)trans-112.3129.8-175.1-59.7-89.9000110.9Y255 F257 V264 L266 M282 M283Y255-F293 HydrophobicContact CD1-CB 4.16Å; Y255-F293 AromaticContact CD1-CD1 3.96Å; Y255-F293 HydrophobicContact CD1-CD1 3.96Å; Y255-F293 HydrophobicContact CD1-CG 4.1Å; Y255-F293 AromaticContact CD2-CD1 3.72Å; Y255-F293 HydrophobicContact CD2-CD1 3.72Å; Y255-F293 HydrophobicContact CD2-CD2 4.2Å; Y255-F293 AromaticContact CD2-CE1 3.7Å; Y255-F293 HydrophobicContact CD2-CE1 3.7Å; Y255-F293 HydrophobicContact CD2-CE2 4.2Å; Y255-F293 AromaticContact CD2-CG 3.98Å; Y255-F293 HydrophobicContact CD2-CG 3.98Å; Y255-F293 AromaticContact CD2-CZ 3.96Å; Y255-F293 HydrophobicContact CD2-CZ 3.96Å; Y255-F293 HydrophobicContact CE1-CB 4.03Å; Y255-F293 HydrophobicContact CE1-CD1 4.48Å; Y255-F293 HydrophobicContact CE1-CG 4.17Å; Y255-F293 HydrophobicContact CE2-CD1 4.26Å; Y255-F293 AromaticContact CE2-CD2 3.97Å; Y255-F293 HydrophobicContact CE2-CD2 3.97Å; Y255-F293 HydrophobicContact CE2-CE1 4.41Å; Y255-F293 HydrophobicContact CE2-CE2 4.15Å; Y255-F293 HydrophobicContact CE2-CG 4.04Å; Y255-F293 HydrophobicContact CE2-CZ 4.37Å; Y255-F293 AromaticContact CG-CD1 3.55Å; Y255-F293 HydrophobicContact CG-CD1 3.55Å; Y255-F293 AromaticContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CG 4.02Å; F257-F293 HydrophobicContact CE1-CZ 4.25Å; F257-F293 HydrophobicContact CE2-CE2 4.07Å; F257-F293 HydrophobicContact CE2-CZ 4.23Å; F257-F293 AromaticContact CZ-CE2 3.65Å; F257-F293 HydrophobicContact CZ-CE2 3.65Å; F257-F293 AromaticContact CZ-CZ 3.62Å; F257-F293 HydrophobicContact CZ-CZ 3.62Å; V264-F293 HydrophobicContact CG2-CE1 3.79Å; V264-F293 HydrophobicContact CG2-CZ 3.92Å; L266-F293 HydrophobicContact CD2-CD1 4.09Å; L266-F293 HydrophobicContact CD2-CE1 3.87Å; M282-F293 WeakPolarHBondContact O-CA 3.25Å; M283-F293 HydrophobicContact CB-CD1 4.03Å; M283-F293 HydrophobicContact CB-CE1 3.91Å; M283-F293 HydrophobicContact CG-CD1 4.2Å; M283-F293 HydrophobicContact CG-CE1 3.81Å; M283-F293 HydrophobicContact CG-CZ 4.15Å; M283-F293 HydrophobicContact SD-CE1 3.75Å; M283-F293 HydrophobicContact SD-CZ 3.79Å
294K96.9Very high85.7Confident74 Ų7484 Ų8432%0.32243%0.426SS..EExtended strand (participates in β ladder)trans-103.5112.4168.7-60.8-170.6-169.5170.70108.4C78 A281 M282C78-K294 PolarHBondContact O-NZ 3.21Å; A281-K294 WeakPolarHBondContact CA-O 3.43Å; M282-K294 HydrophobicContact CE-CB 4.26Å; M282-K294 HydrophobicContact CE-CD 3.62Å; M282-K294 HydrophobicContact CE-CG 4.24Å; M282-K294 PolarHBondContact N-O 3.05Å; M282-K294 PolarHBondContact O-N 3.26Å
295V96.7Very high82.7Confident62 Ų6287 Ų8738%0.37644%0.443SS..EExtended strand (participates in β ladder)trans-93126.1-176.9-177.60000110.1Y255 A279 G280Y255-V295 HydrophobicContact CD1-CG2 4.39Å; Y255-V295 HydrophobicContact CE1-CG2 3.96Å; A279-V295 HydrophobicContact CB-CG1 3.57Å; G280-V295 CarbonylContact O-C 3.56Å
296L94.1Very high79.6Confident16 Ų1695.1 Ų95.18%0.08448%0.481CS..EExtended strand (participates in β ladder)trans-102103.2176-169.768.3000109.9D71 R74 L75 P270 G280D71-L296 HydrophobicContact CB-CD2 4.34Å; R74-L296 HydrophobicContact CB-CD1 3.98Å; R74-L296 HydrophobicContact CB-CD2 4.01Å; R74-L296 VanDerWaalsContact NH2-CD1 3.28Å; L75-L296 HydrophobicContact CD2-CD2 4.05Å; L75-L296 HydrophobicContact CG-CD2 4.17Å; P270-L296 WeakPolarHBondContact CB-O 3.4Å; P270-L296 HydrophobicContact CG-CD2 3.95Å; P270-L296 HydrophobicContact CG-CG 4.29Å; G280-L296 PolarHBondContact N-O 2.63Å; G280-L296 WeakPolarHBondContact O-CA 3.17Å; G280-L296 PolarHBondContact O-N 3.27Å
297K93.6Very high76.6Confident158 Ų15899.3 Ų99.369%0.68750%0.504SS*.  trans-67.5155.2175.3-65.1-170.1177.2-171.70111.9R74 A299R74-K297 PolarHBondContact NH1-O 3.12Å; R74-K297 PolarHBondContact NH2-O 2.92Å; K297-A299 PolarHBondContact O-N 3.23Å
298P90.6Very high73.6Confident35 Ų35103.3 Ų103.323%0.22751%0.511CS..  trans-45.6137.3165.2-30.837.7000112.1N271 N278 D300N271-P298 HydrophobicContact CB-CB 3.9Å; N271-P298 HydrophobicContact CB-CG 3.97Å; N278-P298 WeakPolarHBondContact O-CG 3.46Å; P298-D300 PolarHBondContact O-N 3.41Å
299A84.1Confident70.4Confident51 Ų51105 Ų10542%0.42152%0.521SS..  trans-67.5133.5173.800000110K297 K301K297-A299 PolarHBondContact O-N 3.23Å; A299-K301 PolarHBondContact O-N 2.98Å; A299-K301 VanDerWaalsContact O-N 3.17Å
300D72.9Confident67.4Low126 Ų126105.9 Ų105.967%0.67454%0.542SS*.  trans-52.9121.6-179.2-79.4-41.2000112.2P298 K302 R303P298-D300 PolarHBondContact O-N 3.41Å; D300-K302 PolarHBondContact O-N 2.89Å; D300-K302 VanDerWaalsContact O-N 3.08Å; D300-R303 PolarHBondContact O-N 3.16Å
301K58.6Low64.3Low138 Ų138104.3 Ų104.360%0.656%0.555SS**G310 helixtrans-54.7-29.8173.9-72.1-176.8-178.1172.90111.8A299 R303 L304 T305A299-K301 PolarHBondContact O-N 2.98Å; A299-K301 VanDerWaalsContact O-N 3.17Å; K301-R303 PolarHBondContact O-N 2.58Å; K301-L304 CarbonylContact O-C 3.51Å; K301-L304 WeakPolarHBondContact O-CA 3.1Å; K301-L304 WeakPolarHBondContact O-CB 3.36Å; K301-L304 PolarHBondContact O-N 2.93Å; K301-T305 HydrophobicContact CB-CG2 4.02Å; K301-T305 WeakPolarHBondContact O-CG2 3.37Å; K301-T305 PolarHBondContact O-N 2.92Å; K301-T305 PolarHBondContact O-OG1 2.86Å
302K49.2Very low61.1Low198 Ų198107.5 Ų107.586%0.86159%0.585SS**G310 helixtrans-64.6-20178.8-71.8-175.7-179.7176.10114.3D300 L304D300-K302 PolarHBondContact O-N 2.89Å; D300-K302 VanDerWaalsContact O-N 3.08Å; K302-L304 VanDerWaalsContact C-N 3.29Å
303R46Very low58Low234 Ų234110 Ų11088%0.88361%0.605SS**G310 helixtrans-79.3-9.8166.9-82.3-176.495.1-163.76.9113.2D300 K301D300-R303 PolarHBondContact O-N 3.16Å; K301-R303 PolarHBondContact O-N 2.58Å
304L46.3Very low54.8Low61 Ų61117.3 Ų117.332%0.31964%0.637SS.*THydrogen-bonded Turntrans-120.5-18.4-169.5-67.2164000114.9R23 P24 K301 K302R23-L304 PolarHBondContact NH2-O 3.27Å; R23-L304 VanDerWaalsContact NH2-O 3.14Å; P24-L304 HydrophobicContact CB-CD2 4.44Å; P24-L304 HydrophobicContact CG-CD2 3.96Å; K301-L304 CarbonylContact O-C 3.51Å; K301-L304 WeakPolarHBondContact O-CA 3.1Å; K301-L304 WeakPolarHBondContact O-CB 3.36Å; K301-L304 PolarHBondContact O-N 2.93Å; K302-L304 VanDerWaalsContact C-N 3.29Å
305T35.8Very low51.5Low91 Ų91120.1 Ų120.156%0.55866%0.663SS**  trans-102.620.3-165.153.30000117.6K301 N307K301-T305 HydrophobicContact CB-CG2 4.02Å; K301-T305 WeakPolarHBondContact O-CG2 3.37Å; K301-T305 PolarHBondContact O-N 2.92Å; K301-T305 PolarHBondContact O-OG1 2.86Å; T305-N307 PolarHBondContact O-N 3.29Å; T305-N307 VanDerWaalsContact O-N 3.13Å
306Q32.9Very low48.7Very low173 Ų173121.9 Ų121.981%0.80867%0.665SS**SBendtrans-7899154.6-79.1-175-3.700108.2
307N34.3Very low46.3Very low138 Ų138126.5 Ų126.574%0.73869%0.69SS**SBendtrans83.286.8167.6-48.6-21.8000116.2T305T305-N307 PolarHBondContact O-N 3.29Å; T305-N307 VanDerWaalsContact O-N 3.13Å
308Y31.8Very low44.4Very low207 Ų207119.8 Ų119.881%0.81266%0.663SS**  trans-145.4114.1148.1-130.4-91.8000110.9
309T30.7Very low42.7Very low147 Ų147122.9 Ų122.990%0.90268%0.677SS**  trans-107.1114.3161.547.90000106.9
310G31.9Very low41.7Very low67 Ų67123.3 Ų123.369%0.69167%0.669SS**  trans159.5125.3167.400000116.7
311G31.6Very low41.8Very low81 Ų81117.5 Ų117.584%0.83564%0.639SS**  trans89.191.5145.600000117.4
312A30.4Very low42.7Very low110 Ų110112.1 Ų112.191%0.90962%0.617SS**PPolyproline II helixtrans-77.3123.6164.900000110.5
313A32.8Very low43.9Very low96 Ų96103.3 Ų103.379%0.79358%0.582SS**PPolyproline II helixtrans-89.8155.2166.600000110.4
314K29.9Very low44.8Very low200 Ų20094.9 Ų94.987%0.8756%0.558SS**PPolyproline II helixtrans-71.6149.1-177.6-70.9-176.5177.5-177.80111.9F316K314-F316 PolarHBondContact O-N 3Å
315P27.3Very low45.3Very low134 Ų13495.2 Ų95.287%0.8758%0.575SS**PPolyproline II helixtrans-70.5121.1-175.328.4-34.4000112
316F38.7Very low46.3Very low98 Ų9896 Ų9643%0.4357%0.571SS.*PPolyproline II helixtrans-97.4163.7160.6-177.2-110.6000107.9Y134 K314 P318 P322 M327Y134-F316 HydrophobicContact CE1-CE1 4.2Å; Y134-F316 AromaticContact CE1-CZ 3.83Å; Y134-F316 HydrophobicContact CE1-CZ 3.83Å; K314-F316 PolarHBondContact O-N 3Å; F316-P318 HydrophobicContact CD1-CB 4.11Å; F316-P318 WeakPolarHBondContact O-CD 3.45Å; F316-P322 HydrophobicContact CE2-CG 4.37Å; F316-P322 HydrophobicContact CZ-CG 3.97Å; F316-M327 HydrophobicContact CE2-CE 4.34Å; F316-M327 HydrophobicContact CZ-CE 4.4Å
317N43.5Very low46.9Very low113 Ų11391.5 Ų91.560%0.60455%0.551SS**  trans-98.787.7167.4-174.53.1000109.2L319N317-L319 VanDerWaalsContact C-N 3.27Å; N317-L319 PolarHBondContact O-N 3.45Å
318P52.7Low46.9Very low18 Ų1894.4 Ų94.412%0.11756%0.557CS.*THydrogen-bonded Turntrans-74.1-6.2-170.822.6-32.2000115.9F276 F316 K320F276-P318 HydrophobicContact CE1-CG 4.46Å; F276-P318 HydrophobicContact CE2-CB 3.59Å; F276-P318 HydrophobicContact CE2-CG 3.3Å; F276-P318 HydrophobicContact CZ-CB 3.47Å; F276-P318 VanDerWaalsContact CZ-CB 3.47Å; F276-P318 HydrophobicContact CZ-CG 3.27Å; F316-P318 HydrophobicContact CD1-CB 4.11Å; F316-P318 WeakPolarHBondContact O-CD 3.45Å; P318-K320 PolarHBondContact O-N 3.46Å
319L55.6Low46.9Very low99 Ų9989 Ų8952%0.51855%0.549SS..THydrogen-bonded Turntrans-60.7-28.6-175.8-77.9164.2000113.8F276 N317F276-L319 HydrophobicContact CD1-CD2 4.46Å; F276-L319 HydrophobicContact CE1-CD2 3.66Å; F276-L319 HydrophobicContact CE1-CG 4.02Å; N317-L319 VanDerWaalsContact C-N 3.27Å; N317-L319 PolarHBondContact O-N 3.45Å
320K63.3Low46.8Very low60 Ų6089.9 Ų89.926%0.26155%0.548SS..SBendtrans-136.6137177.2-64.3-174.3-177.8-174.40108.2D220 R221 P318 P322D220-K320 HydrophobicContact CB-CD 3.88Å; D220-K320 IonicContact OD2-NZ 3.3Å; D220-K320 PolarHBondContact OD2-NZ 3.29Å; R221-K320 HydrophobicContact CG-CB 4.1Å; R221-K320 HydrophobicContact CG-CD 4.4Å; P318-K320 PolarHBondContact O-N 3.46Å; K320-P322 WeakPolarHBondContact O-CD 3.43Å
321T74.8Confident46.6Very low5 Ų594.7 Ų94.73%0.03156%0.558CS.*  trans-74111.4167.1-630000107.4R96 H125 I130 Y134 W206 R221R96-T321 PolarHBondContact NH2-OG1 2.92Å; H125-T321 WeakPolarHBondContact NE2-CG2 3.46Å; H125-T321 PolarHBondContact NE2-OG1 2.74Å; H125-T321 VanDerWaalsContact NE2-OG1 3.09Å; I130-T321 HydrophobicContact CG2-CG2 4.45Å; Y134-T321 HydrophobicContact CE1-CG2 4.34Å; Y134-T321 HydrophobicContact CE2-CG2 3.67Å; Y134-T321 WeakPolarHBondContact OH-CG2 3.4Å; W206-T321 HydrophobicContact CH2-CG2 3.81Å; W206-T321 HydrophobicContact CZ3-CG2 3.9Å; W206-T321 WeakPolarHBondContact CZ3-O 3.23Å; R221-T321 WeakPolarHBondContact CG-O 3.29Å; R221-T321 VanDerWaalsContact NH1-N 3.11Å
322P76.6Confident46.4Very low24 Ų24100.5 Ų100.516%0.15656%0.561CS.*  trans-71.4148.6169.129-36.3000110.7Y134 F316 K320 K326 M327Y134-P322 WeakPolarHBondContact OH-CD 3.36Å; Y134-P322 WeakPolarHBondContact OH-CG 3.33Å; Y134-P322 PolarHBondContact OH-O 3.26Å; F316-P322 HydrophobicContact CE2-CG 4.37Å; F316-P322 HydrophobicContact CZ-CG 3.97Å; K320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-K326 HydrophobicContact CB-CB 4.21Å; P322-M327 HydrophobicContact CG-CE 4.31Å; P322-M327 HydrophobicContact CG-CG 4.14Å
323A74.2Confident46.3Very low14 Ų14108.9 Ų108.912%0.11658%0.577CS.*  trans-59.8150.3167.200000110.6R221 V223 G325 K326R221-A323 PolarHBondContact O-N 3.15Å; V223-A323 HydrophobicContact CB-CB 3.96Å; V223-A323 HydrophobicContact CG1-CB 3.89Å; A323-G325 PolarHBondContact O-N 3.5Å; A323-K326 PolarHBondContact O-N 3.1Å
324P65.5Low47Very low57 Ų57109.5 Ų109.537%0.3757%0.566SS.*THydrogen-bonded Turntrans-52.6-29.5-177.1-28.235.4000114.6I130 I133I130-P324 HydrophobicContact CD1-CG 3.72Å; I133-P324 HydrophobicContact CD1-CB 4.22Å; I133-P324 HydrophobicContact CD1-CG 4.28Å
325G57.8Low47.9Very low67 Ų67104.7 Ų104.769%0.69155%0.55SS*.THydrogen-bonded Turntrans-71.4-27.2178.100000115.5A323A323-G325 PolarHBondContact O-N 3.5Å
326K55.8Low49Very low108 Ų108103.1 Ų103.147%0.4753%0.532SS..THydrogen-bonded Turntrans-84.4-13.7180-86.9-161.2178.2174.50114D220 G222 P322 A323 K328D220-K326 PolarHBondContact O-NZ 3.37Å; G222-K326 VanDerWaalsContact CA-NZ 3.27Å; P322-K326 HydrophobicContact CB-CB 4.21Å; A323-K326 PolarHBondContact O-N 3.1Å; K326-K328 PolarHBondContact O-N 3.3Å; K326-K328 VanDerWaalsContact O-N 3.11Å
327M46.9Very low49.7Very low78 Ų78103.4 Ų103.438%0.38454%0.538SS..THydrogen-bonded Turntrans-65.9-11.4176.6-75.3-161.2-16600113.9I133 Y134 F316 P322 S329I133-M327 HydrophobicContact CD1-CE 3.55Å; I133-M327 HydrophobicContact CD1-SD 3.99Å; I133-M327 HydrophobicContact CG1-CE 4.29Å; Y134-M327 HydrophobicContact CD1-CE 4.34Å; Y134-M327 HydrophobicContact CD2-CE 4.48Å; Y134-M327 HydrophobicContact CE1-CE 3.46Å; Y134-M327 VanDerWaalsContact CE1-CE 3.46Å; Y134-M327 HydrophobicContact CE2-CE 3.63Å; Y134-M327 WeakPolarHBondContact OH-CE 3.43Å; F316-M327 HydrophobicContact CE2-CE 4.34Å; F316-M327 HydrophobicContact CZ-CE 4.4Å; P322-M327 HydrophobicContact CG-CE 4.31Å; P322-M327 HydrophobicContact CG-CG 4.14Å; M327-S329 VanDerWaalsContact C-N 3.29Å; M327-S329 PolarHBondContact O-N 2.74Å
328K33.5Very low50Low199 Ų199102.8 Ų102.887%0.86553%0.534SS*.  trans-82.961.1176.7-70.4-171.1178.7176.70112.9K326K326-K328 PolarHBondContact O-N 3.3Å; K326-K328 VanDerWaalsContact O-N 3.11Å
329S32.5Very low49.9Very low93 Ų93108.5 Ų108.565%0.6556%0.562SS**  trans-160.275.6157.967.20000112.1M327M327-S329 VanDerWaalsContact C-N 3.29Å; M327-S329 PolarHBondContact O-N 2.74Å
330N27.9Very low49.5Very low166 Ų166109.1 Ų109.189%0.88857%0.565SS**SBendtrans-154.527.5150.3-100.2-9.6000113
331N26.6Very low48.4Very low168 Ų168112.9 Ų112.990%0.89859%0.588SS**  trans-111.880.3161.7-84.7-6.6000108.1
332K27.7Very low46.2Very low204 Ų204121.9 Ų121.989%0.88763%0.634SS**  trans-130.9106160-89-171178.5176.10109.3
333K29.3Very low43.4Very low285 Ų285130.8 Ų130.8100%1.23968%0.678SS**  trans720163.8-66.5-172.9175.8-176.50117.1

Retrieved 333 of 333 residues in 255.4 ms (Link to these results)

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