A0A087XNQ6_POEFO Loading...

Matrix metalloproteinase-14

AlphaFold DB , UniProt , Accession A0A087XNQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 610 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
1M30.6Very low36.5Very low254 Ų254136.3 Ų136.3100%1.25183%0.827SS**  093.20-69.9170.517700105.5
2G30.5Very low39.5Very low72 Ų72130.4 Ų130.474%0.74278%0.782SS**  110.16353.700000107R4G2-R4 VanDerWaalsContact C-N 3.33Å; G2-R4 PolarHBondContact O-N 3.38Å
3A29.1Very low42.7Very low109 Ų109126.4 Ų126.490%0.90175%0.754SS**  trans-72.992175.400000107.8G5A3-G5 PolarHBondContact O-N 3.24Å
4R33.8Very low45.5Very low237 Ų237118.8 Ų118.889%0.89471%0.712SS**  trans-62.6124165.3-75.8178171.4177-4.4107G2 A6G2-R4 VanDerWaalsContact C-N 3.33Å; G2-R4 PolarHBondContact O-N 3.38Å; R4-A6 PolarHBondContact O-N 2.66Å
5G33.9Very low47.7Very low71 Ų71117 Ų11773%0.73269%0.693SS**  trans-53.4125.4164.500000107.7A3 E7A3-G5 PolarHBondContact O-N 3.24Å; G5-E7 VanDerWaalsContact C-N 3.34Å; G5-E7 PolarHBondContact O-N 3.17Å
6A33.3Very low49.6Very low100 Ų100113.3 Ų113.383%0.82668%0.675SS**  trans-66.6101.1167.800000106.5R4 D8R4-A6 PolarHBondContact O-N 2.66Å; A6-D8 VanDerWaalsContact C-N 3.29Å; A6-D8 PolarHBondContact O-N 2.72Å; A6-D8 VanDerWaalsContact O-N 3.09Å
7E34.2Very low51.6Low193 Ų193107.6 Ų107.690%0.90264%0.639SS**  trans-64.699.5155.7-74.2177.4164.700105.9G5G5-E7 VanDerWaalsContact C-N 3.34Å; G5-E7 PolarHBondContact O-N 3.17Å
8D37.3Very low53.3Low112 Ų112101.6 Ų101.660%0.59960%0.604SS**  trans-70.5136.8169.4-158.123.6000107.5A6 S10 K68A6-D8 VanDerWaalsContact C-N 3.29Å; A6-D8 PolarHBondContact O-N 2.72Å; A6-D8 VanDerWaalsContact O-N 3.09Å; D8-S10 PolarHBondContact O-N 3.24Å; D8-K68 IonicContact OD2-NZ 3.06Å
9E38.2Very low54.6Low205 Ų205102.4 Ų102.496%0.95860%0.595SS**THydrogen-bonded Turntrans-61.716.6-166.8-74.2-165.2144.100116.3
10S44.4Very low55.6Low64 Ų64100.6 Ų100.645%0.44858%0.582SS.*THydrogen-bonded Turntrans-115.513.5-173.186.40000115.9D8 F12 K68D8-S10 PolarHBondContact O-N 3.24Å; S10-F12 PolarHBondContact O-N 3.31Å; S10-F12 WeakPolarHBondContact OG-CB 3.5Å; S10-K68 PolarHBondContact OG-NZ 2.99Å
11G56.7Low56.8Low82 Ų8296 Ų9685%0.84555%0.554SS**  trans58.512177.900000115.4N13G11-N13 PolarHBondContact O-N 3.24Å
12F72.1Confident58.9Low66 Ų6685.3 Ų85.329%0.28951%0.51SS..  trans-83.1114.9-173.7175.6-99.4000110S10 A14 W17 I64 M67 K68S10-F12 PolarHBondContact O-N 3.31Å; S10-F12 WeakPolarHBondContact OG-CB 3.5Å; F12-A14 HydrophobicContact CE1-CB 3.88Å; F12-W17 HydrophobicContact CE2-CB 4.37Å; F12-W17 AromaticContact CE2-CD1 3.63Å; F12-W17 HydrophobicContact CE2-CG 4.18Å; F12-W17 HydrophobicContact CZ-CB 4.15Å; F12-W17 AromaticContact CZ-CD1 3.86Å; F12-W17 HydrophobicContact CZ-CG 4.03Å; F12-I64 HydrophobicContact CD1-CG2 4.31Å; F12-I64 HydrophobicContact CE1-CG2 4.29Å; F12-M67 HydrophobicContact CE1-CB 4.23Å; F12-M67 HydrophobicContact CE1-SD 4.08Å; F12-M67 HydrophobicContact CE2-CB 4.29Å; F12-M67 HydrophobicContact CZ-CB 3.53Å; F12-M67 HydrophobicContact CZ-CG 4.26Å; F12-M67 HydrophobicContact CZ-SD 3.88Å; F12-K68 HydrophobicContact CD2-CG 4.23Å; F12-K68 HydrophobicContact CE2-CG 4.34Å; F12-K68 HydrophobicContact CG-CG 4.42Å
13N81.7Confident61.2Low78 Ų7882.5 Ų82.542%0.41748%0.477SS..  trans-102.5105.1177.8-177-27.8000110.7G11 E15 S16 W17G11-N13 PolarHBondContact O-N 3.24Å; N13-E15 VanDerWaalsContact C-N 3.3Å; N13-E15 PolarHBondContact O-N 3.1Å; N13-E15 WeakPolarHBondContact OD1-CB 3.24Å; N13-E15 PolarHBondContact OD1-N 3.17Å; N13-S16 VanDerWaalsContact CB-OG 3.27Å; N13-S16 WeakPolarHBondContact CB-OG 3.31Å; N13-S16 PolarHBondContact O-N 2.62Å; N13-S16 PolarHBondContact O-OG 3.19Å; N13-S16 PolarHBondContact OD1-N 3Å; N13-S16 VanDerWaalsContact OD1-N 3.09Å; N13-W17 PolarHBondContact O-N 3.04Å; N13-W17 VanDerWaalsContact O-N 3.1Å
14A81.3Confident63.5Low20 Ų2078.1 Ų78.117%0.16544%0.438CS..Hα-helixtrans-66.2-29.4-178.100000113.5F12 L18 M59 M67F12-A14 HydrophobicContact CE1-CB 3.88Å; A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 VanDerWaalsContact O-CG 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.2Å; A14-L18 PolarHBondContact O-N 2.82Å; A14-M59 HydrophobicContact CB-CG 4.47Å; A14-M59 HydrophobicContact CB-SD 3.45Å; A14-M59 WeakPolarHBondContact CB-SD 3.44Å; A14-M67 HydrophobicContact CB-SD 4.12Å
15E79.1Confident65Low92 Ų9270.3 Ų70.343%0.4342%0.418SS..Hα-helixtrans-71-41.9177.7-66.4-168.3179.800111.8N13 W17 L18 R19 L40N13-E15 VanDerWaalsContact C-N 3.3Å; N13-E15 PolarHBondContact O-N 3.1Å; N13-E15 WeakPolarHBondContact OD1-CB 3.24Å; N13-E15 PolarHBondContact OD1-N 3.17Å; E15-W17 VanDerWaalsContact C-N 3.31Å; E15-L18 PolarHBondContact O-N 3.2Å; E15-R19 WeakPolarHBondContact O-CG 3.39Å; E15-R19 PolarHBondContact O-N 3.03Å; E15-R19 VanDerWaalsContact O-N 3.07Å; E15-R19 IonicContact OE2-NH2 3.09Å; E15-L40 HydrophobicContact CG-CD1 4.27Å
16S76.9Confident66.1Low57 Ų5773.5 Ų73.540%0.39941%0.414SS..Hα-helixtrans-65.2-39.2174.656.70000111N13 R19 M20N13-S16 VanDerWaalsContact CB-OG 3.27Å; N13-S16 WeakPolarHBondContact CB-OG 3.31Å; N13-S16 PolarHBondContact O-N 2.62Å; N13-S16 PolarHBondContact O-OG 3.19Å; N13-S16 PolarHBondContact OD1-N 3Å; N13-S16 VanDerWaalsContact OD1-N 3.09Å; S16-R19 PolarHBondContact O-N 3.34Å; S16-M20 WeakPolarHBondContact O-CB 3.28Å; S16-M20 PolarHBondContact O-N 2.87Å
17W83.3Confident66.8Low17 Ų1772.7 Ų72.76%0.06441%0.407CS..Hα-helixtrans-57.3-51.9173.7-170.6103.1000111.2F12 N13 E15 R19 M20 Y21 Y23 M47 Y51 M67F12-W17 HydrophobicContact CE2-CB 4.37Å; F12-W17 AromaticContact CE2-CD1 3.63Å; F12-W17 HydrophobicContact CE2-CG 4.18Å; F12-W17 HydrophobicContact CZ-CB 4.15Å; F12-W17 AromaticContact CZ-CD1 3.86Å; F12-W17 HydrophobicContact CZ-CG 4.03Å; N13-W17 PolarHBondContact O-N 3.04Å; N13-W17 VanDerWaalsContact O-N 3.1Å; E15-W17 VanDerWaalsContact C-N 3.31Å; W17-R19 VanDerWaalsContact C-N 3.27Å; W17-R19 PolarHBondContact O-N 3.27Å; W17-M20 WeakPolarHBondContact O-CB 3.5Å; W17-M20 PolarHBondContact O-N 2.89Å; W17-M20 VanDerWaalsContact O-N 3.1Å; W17-Y21 AromaticContact CD1-CE2 3.61Å; W17-Y21 AromaticContact CD2-CD2 3.54Å; W17-Y21 HydrophobicContact CD2-CD2 3.54Å; W17-Y21 AromaticContact CD2-CE2 3.6Å; W17-Y21 HydrophobicContact CD2-CE2 3.6Å; W17-Y21 AromaticContact CE2-CD2 3.52Å; W17-Y21 AromaticContact CE2-CE2 3.25Å; W17-Y21 AromaticContact CE3-CD2 3.79Å; W17-Y21 HydrophobicContact CE3-CD2 3.79Å; W17-Y21 HydrophobicContact CE3-CE2 4.32Å; W17-Y21 HydrophobicContact CG-CD2 4.06Å; W17-Y21 AromaticContact CG-CE2 3.81Å; W17-Y21 HydrophobicContact CG-CE2 3.81Å; W17-Y21 AromaticContact CH2-CD2 3.93Å; W17-Y21 HydrophobicContact CH2-CD2 3.93Å; W17-Y21 HydrophobicContact CH2-CE2 4.36Å; W17-Y21 AromaticContact CZ2-CD2 3.73Å; W17-Y21 HydrophobicContact CZ2-CD2 3.73Å; W17-Y21 AromaticContact CZ2-CE2 3.69Å; W17-Y21 HydrophobicContact CZ2-CE2 3.69Å; W17-Y21 AromaticContact CZ3-CD2 3.96Å; W17-Y21 HydrophobicContact CZ3-CD2 3.96Å; W17-Y21 AromaticContact NE1-CE2 3.33Å; W17-Y21 VanDerWaalsContact NE1-CE2 3.33Å; W17-Y21 WeakPolarHBondContact O-CD2 3.49Å; W17-Y21 PolarHBondContact O-N 2.98Å; W17-Y23 HydrophobicContact CH2-CE2 4.32Å; W17-Y23 HydrophobicContact CZ3-CD2 4.06Å; W17-Y23 AromaticContact CZ3-CE2 3.96Å; W17-Y23 HydrophobicContact CZ3-CE2 3.96Å; W17-M47 HydrophobicContact CH2-CE 3.89Å; W17-M47 HydrophobicContact CH2-CG 4.04Å; W17-M47 HydrophobicContact CZ3-CE 4.14Å; W17-M47 HydrophobicContact CZ3-CG 3.79Å; W17-Y51 HydrophobicContact CH2-CE2 4.24Å; W17-Y51 AromaticContact CH2-CZ 3.91Å; W17-Y51 WeakPolarHBondContact CH2-OH 3.39Å; W17-M67 HydrophobicContact CD2-CB 4.19Å; W17-M67 HydrophobicContact CD2-CG 3.94Å; W17-M67 HydrophobicContact CD2-SD 4.21Å; W17-M67 HydrophobicContact CE3-CE 3.85Å; W17-M67 HydrophobicContact CE3-CG 4.01Å; W17-M67 HydrophobicContact CE3-SD 4.11Å; W17-M67 HydrophobicContact CH2-CG 4.17Å; W17-M67 HydrophobicContact CZ2-CB 4.16Å; W17-M67 HydrophobicContact CZ2-CG 4.04Å; W17-M67 HydrophobicContact CZ3-CE 4.05Å; W17-M67 HydrophobicContact CZ3-CG 4.15Å; W17-M67 PolarHBondContact NE1-O 3.43Å
18L83.1Confident67.3Low0 Ų069.6 Ų69.60%040%0.397CS..Hα-helixtrans-62.2-32.6179.7-74.8168.4000112.9A14 E15 G22 Y23 L24 L40 V44 M47 M67A14-L18 WeakPolarHBondContact O-CB 3.43Å; A14-L18 VanDerWaalsContact O-CG 3.29Å; A14-L18 WeakPolarHBondContact O-CG 3.2Å; A14-L18 PolarHBondContact O-N 2.82Å; E15-L18 PolarHBondContact O-N 3.2Å; L18-G22 PolarHBondContact O-N 3.22Å; L18-Y23 HydrophobicContact CD2-CD2 4.07Å; L18-Y23 HydrophobicContact CD2-CG 4.01Å; L18-Y23 WeakPolarHBondContact O-CA 3.49Å; L18-Y23 WeakPolarHBondContact O-CB 3.28Å; L18-Y23 PolarHBondContact O-N 2.77Å; L18-L24 HydrophobicContact CB-CB 4.3Å; L18-L24 HydrophobicContact CB-CD1 3.56Å; L18-L24 HydrophobicContact CB-CG 3.81Å; L18-L24 HydrophobicContact CD1-CD1 3.97Å; L18-L24 HydrophobicContact CD1-CG 4.46Å; L18-L24 HydrophobicContact CG-CD1 4.44Å; L18-L24 PolarHBondContact O-N 3.41Å; L18-L40 HydrophobicContact CD1-CD1 3.74Å; L18-V44 HydrophobicContact CD1-CG2 3.86Å; L18-M47 HydrophobicContact CD2-CB 4.09Å; L18-M47 HydrophobicContact CD2-CG 4.39Å; L18-M67 HydrophobicContact CD1-CE 4.37Å; L18-M67 HydrophobicContact CD2-CE 3.78Å; L18-M67 HydrophobicContact CG-CE 3.95Å
19R78.3Confident67.6Low116 Ų11673.2 Ų73.244%0.43840%0.402SS..Hα-helixtrans-70.6-42.8173.6-72.2176.1-168.1169.111.3111.6E15 S16 W17 Y21 G22 L24E15-R19 WeakPolarHBondContact O-CG 3.39Å; E15-R19 PolarHBondContact O-N 3.03Å; E15-R19 VanDerWaalsContact O-N 3.07Å; E15-R19 IonicContact OE2-NH2 3.09Å; S16-R19 PolarHBondContact O-N 3.34Å; W17-R19 VanDerWaalsContact C-N 3.27Å; W17-R19 PolarHBondContact O-N 3.27Å; R19-Y21 VanDerWaalsContact C-N 3.32Å; R19-Y21 PolarHBondContact O-N 3.02Å; R19-G22 PolarHBondContact O-N 2.92Å; R19-L24 HydrophobicContact CB-CB 4.46Å; R19-L24 HydrophobicContact CG-CB 3.6Å; R19-L24 HydrophobicContact CG-CD1 4.31Å
20M74.7Confident67.9Low67 Ų6771.5 Ų71.533%0.3339%0.394SS..Hα-helixtrans-61-41.6-176.7-169.5178.5-6900112.1S16 W17 F177S16-M20 WeakPolarHBondContact O-CB 3.28Å; S16-M20 PolarHBondContact O-N 2.87Å; W17-M20 WeakPolarHBondContact O-CB 3.5Å; W17-M20 PolarHBondContact O-N 2.89Å; W17-M20 VanDerWaalsContact O-N 3.1Å; M20-F177 HydrophobicContact CE-CE2 4.45Å; M20-F177 HydrophobicContact CE-CZ 3.95Å; M20-F177 HydrophobicContact SD-CE1 3.48Å; M20-F177 WeakPolarHBondContact SD-CE1 3.49Å; M20-F177 HydrophobicContact SD-CE2 4.01Å; M20-F177 HydrophobicContact SD-CZ 3.1Å; M20-F177 WeakPolarHBondContact SD-CZ 3.48Å
21Y79.3Confident67.8Low3 Ų372.7 Ų72.71%0.01239%0.394CS..THydrogen-bonded Turntrans-93.610.3180-55.3-71.1000114.7W17 R19 R71 D76 K77 F177W17-Y21 AromaticContact CD1-CE2 3.61Å; W17-Y21 AromaticContact CD2-CD2 3.54Å; W17-Y21 HydrophobicContact CD2-CD2 3.54Å; W17-Y21 AromaticContact CD2-CE2 3.6Å; W17-Y21 HydrophobicContact CD2-CE2 3.6Å; W17-Y21 AromaticContact CE2-CD2 3.52Å; W17-Y21 AromaticContact CE2-CE2 3.25Å; W17-Y21 AromaticContact CE3-CD2 3.79Å; W17-Y21 HydrophobicContact CE3-CD2 3.79Å; W17-Y21 HydrophobicContact CE3-CE2 4.32Å; W17-Y21 HydrophobicContact CG-CD2 4.06Å; W17-Y21 AromaticContact CG-CE2 3.81Å; W17-Y21 HydrophobicContact CG-CE2 3.81Å; W17-Y21 AromaticContact CH2-CD2 3.93Å; W17-Y21 HydrophobicContact CH2-CD2 3.93Å; W17-Y21 HydrophobicContact CH2-CE2 4.36Å; W17-Y21 AromaticContact CZ2-CD2 3.73Å; W17-Y21 HydrophobicContact CZ2-CD2 3.73Å; W17-Y21 AromaticContact CZ2-CE2 3.69Å; W17-Y21 HydrophobicContact CZ2-CE2 3.69Å; W17-Y21 AromaticContact CZ3-CD2 3.96Å; W17-Y21 HydrophobicContact CZ3-CD2 3.96Å; W17-Y21 AromaticContact NE1-CE2 3.33Å; W17-Y21 VanDerWaalsContact NE1-CE2 3.33Å; W17-Y21 WeakPolarHBondContact O-CD2 3.49Å; W17-Y21 PolarHBondContact O-N 2.98Å; R19-Y21 VanDerWaalsContact C-N 3.32Å; R19-Y21 PolarHBondContact O-N 3.02Å; Y21-R71 VanDerWaalsContact CD1-NH1 3.3Å; Y21-R71 VanDerWaalsContact CD1-NH2 3.26Å; Y21-R71 VanDerWaalsContact CZ-CD 3.43Å; Y21-R71 VanDerWaalsContact CZ-CZ 3.48Å; Y21-R71 WeakPolarHBondContact OH-CD 3.34Å; Y21-R71 WeakPolarHBondContact OH-CG 3.29Å; Y21-R71 PolarHBondContact OH-NE 2.62Å; Y21-D76 PolarHBondContact O-N 3.42Å; Y21-D76 VanDerWaalsContact O-N 3.14Å; Y21-K77 PolarHBondContact O-N 3.33Å; Y21-F177 HydrophobicContact CE1-CD1 4.33Å; Y21-F177 AromaticContact CE1-CE1 3.79Å; Y21-F177 HydrophobicContact CE1-CE1 3.79Å; Y21-F177 HydrophobicContact CE2-CE1 4.27Å; Y21-F177 AromaticContact CZ-CE1 3.35Å; Y21-F177 VanDerWaalsContact OH-CD1 3.26Å; Y21-F177 WeakPolarHBondContact OH-CD1 3.45Å; Y21-F177 WeakPolarHBondContact OH-CE1 3.31Å
22G74.9Confident67.1Low30 Ų3072.8 Ų72.831%0.30938%0.381SS..THydrogen-bonded Turntrans84.413.8168.700000116.2L18 R19L18-G22 PolarHBondContact O-N 3.22Å; R19-G22 PolarHBondContact O-N 2.92Å
23Y79.9Confident66.1Low13 Ų1375.5 Ų75.55%0.05140%0.403CS..SBendtrans-79.8-32.7173.8-63.9-81.6000112.8W17 L18 A43 D46 M47 F50 D76 K77W17-Y23 HydrophobicContact CH2-CE2 4.32Å; W17-Y23 HydrophobicContact CZ3-CD2 4.06Å; W17-Y23 AromaticContact CZ3-CE2 3.96Å; W17-Y23 HydrophobicContact CZ3-CE2 3.96Å; L18-Y23 HydrophobicContact CD2-CD2 4.07Å; L18-Y23 HydrophobicContact CD2-CG 4.01Å; L18-Y23 WeakPolarHBondContact O-CA 3.49Å; L18-Y23 WeakPolarHBondContact O-CB 3.28Å; L18-Y23 PolarHBondContact O-N 2.77Å; Y23-A43 WeakPolarHBondContact O-CB 3.25Å; Y23-D46 HydrophobicContact CD1-CB 4.07Å; Y23-D46 HydrophobicContact CE1-CB 4.46Å; Y23-M47 HydrophobicContact CD1-CB 3.82Å; Y23-M47 HydrophobicContact CD2-CB 4.29Å; Y23-M47 HydrophobicContact CE1-CB 3.7Å; Y23-M47 HydrophobicContact CE1-CG 4.45Å; Y23-M47 HydrophobicContact CE2-CB 4.16Å; Y23-M47 HydrophobicContact CE2-CG 4.18Å; Y23-M47 HydrophobicContact CG-CB 4.13Å; Y23-F50 HydrophobicContact CE1-CB 4.48Å; Y23-F50 WeakPolarHBondContact OH-CD1 3.4Å; Y23-D76 HydrophobicContact CE2-CB 3.97Å; Y23-D76 WeakPolarHBondContact CE2-OD2 3.48Å; Y23-D76 VanDerWaalsContact OH-CB 3.29Å; Y23-D76 WeakPolarHBondContact OH-CB 3.48Å; Y23-D76 VanDerWaalsContact OH-CG 3.3Å; Y23-D76 PolarHBondContact OH-OD2 3.26Å; Y23-K77 HydrophobicContact CD1-CD 4.15Å; Y23-K77 HydrophobicContact CE1-CD 4.31Å
24L77.6Confident64.1Low17 Ų1779.8 Ų79.89%0.08942%0.423CS..SBendtrans-108.5130.2175.6-78.3173.2000111.2L18 R19 I39 L40 A43L18-L24 HydrophobicContact CB-CB 4.3Å; L18-L24 HydrophobicContact CB-CD1 3.56Å; L18-L24 HydrophobicContact CB-CG 3.81Å; L18-L24 HydrophobicContact CD1-CD1 3.97Å; L18-L24 HydrophobicContact CD1-CG 4.46Å; L18-L24 HydrophobicContact CG-CD1 4.44Å; L18-L24 PolarHBondContact O-N 3.41Å; R19-L24 HydrophobicContact CB-CB 4.46Å; R19-L24 HydrophobicContact CG-CB 3.6Å; R19-L24 HydrophobicContact CG-CD1 4.31Å; L24-I39 HydrophobicContact CD2-CG2 3.53Å; L24-L40 HydrophobicContact CD1-CD1 3.88Å; L24-A43 HydrophobicContact CD2-CB 3.54Å; L24-A43 HydrophobicContact CG-CB 3.7Å
25P64.9Low62.8Low74 Ų7485.9 Ų85.948%0.48144%0.442SS..  trans-66.8155.7171.228.8-32.7000110.8
26Q56.3Low62.2Low138 Ų13884.4 Ų84.465%0.64544%0.441SS*.  trans-59.4143.2175.7-65.7-166.5-3.100111N28Q26-N28 PolarHBondContact O-N 2.86Å
27A48.9Very low62Low82 Ų8284.7 Ų84.768%0.67845%0.447SS*.  trans-60.3108.8-176.100000110.6
28N43.4Very low61.8Low128 Ų12890.2 Ų90.268%0.68447%0.474SS*.  trans-106.7128.7172.7-134.2-4.5000108.8Q26 Q30Q26-N28 PolarHBondContact O-N 2.86Å; N28-Q30 PolarHBondContact O-N 3.44Å
29R43.6Very low61.6Low189 Ų18992.4 Ų92.471%0.71349%0.485SS*.THydrogen-bonded Turntrans-60.32.3-170.3-81.3-174.6173.6174.6-2116.1
30Q45.4Very low61.8Low169 Ų16989.5 Ų89.579%0.7948%0.478SS*.THydrogen-bonded Turntrans-98.83.9-175.8-71.5177.2-1800114.7N28N28-Q30 PolarHBondContact O-N 3.44Å
31M43.2Very low62.4Low89 Ų8988.5 Ų88.544%0.43848%0.478SS..  trans-103.7102.1-175.2-57.1-149.569.900111.7R35 I39M31-R35 HydrophobicContact CE-CB 3.94Å; M31-R35 HydrophobicContact CE-CG 4.42Å; M31-I39 HydrophobicContact CE-CD1 3.14Å; M31-I39 HydrophobicContact CE-CG1 4.47Å; M31-I39 HydrophobicContact SD-CD1 3.51Å; M31-I39 VanDerWaalsContact SD-CD1 3.51Å
32S41.9Very low62.7Low83 Ų8392.8 Ų92.858%0.5850%0.501SS*.  trans-47.3146.9173.5-57.10000112.6M34 R35 S36S32-M34 PolarHBondContact O-N 3.49Å; S32-R35 WeakPolarHBondContact O-CA 3.44Å; S32-R35 WeakPolarHBondContact O-CB 3.37Å; S32-R35 PolarHBondContact O-N 3.4Å; S32-S36 PolarHBondContact O-N 3.27Å
33T50.5Low63.2Low123 Ų12391.5 Ų91.576%0.75549%0.487SS*.Hα-helixtrans-54.8-20.7-179.151.40000115.7S36T33-S36 WeakPolarHBondContact CA-OG 3.36Å; T33-S36 PolarHBondContact O-OG 3.02Å
34M39.4Very low63.7Low168 Ų16891 Ų9183%0.82849%0.486SS*.Hα-helixtrans-78.7-29.3170.9-85.6-171.3-85.600113.4S32S32-M34 PolarHBondContact O-N 3.49Å
35R53.3Low64.2Low149 Ų14991.3 Ų91.356%0.56249%0.489SS*.Hα-helixtrans-75.4-27.9173.6-75.8-176.3174.3161.4-3.1111.8M31 S32 Q38 I39M31-R35 HydrophobicContact CE-CB 3.94Å; M31-R35 HydrophobicContact CE-CG 4.42Å; S32-R35 WeakPolarHBondContact O-CA 3.44Å; S32-R35 WeakPolarHBondContact O-CB 3.37Å; S32-R35 PolarHBondContact O-N 3.4Å; R35-Q38 PolarHBondContact O-N 2.92Å; R35-I39 HydrophobicContact CB-CD1 4.4Å; R35-I39 WeakPolarHBondContact O-CB 3.4Å; R35-I39 WeakPolarHBondContact O-CD1 3.49Å; R35-I39 WeakPolarHBondContact O-CG1 3.31Å; R35-I39 PolarHBondContact O-N 2.91Å
36S67.1Low65.1Low60 Ų6090.2 Ų90.242%0.4248%0.479SS..Hα-helixtrans-66.3-41-178.757.40000112.8S32 T33 I39 L40S32-S36 PolarHBondContact O-N 3.27Å; T33-S36 WeakPolarHBondContact CA-OG 3.36Å; T33-S36 PolarHBondContact O-OG 3.02Å; S36-I39 PolarHBondContact O-N 2.99Å; S36-L40 WeakPolarHBondContact O-CB 3.36Å; S36-L40 PolarHBondContact O-N 2.98Å
37A73.3Confident66.6Low64 Ų6483.6 Ų83.653%0.52945%0.448SS..Hα-helixtrans-65.1-40.9177.200000112.6L40 S41A37-L40 PolarHBondContact O-N 3.09Å; A37-S41 WeakPolarHBondContact O-CB 3.08Å; A37-S41 PolarHBondContact O-N 3.32Å
38Q78.4Confident68.4Low133 Ų13379.7 Ų79.762%0.62142%0.416SS*.Hα-helixtrans-70.8-35.3178-163.8169.215.400112R35 N42R35-Q38 PolarHBondContact O-N 2.92Å; Q38-N42 WeakPolarHBondContact O-CB 3.39Å; Q38-N42 PolarHBondContact O-N 3.42Å; Q38-N42 PolarHBondContact O-ND2 3.23Å
39I79.6Confident70.3Confident46 Ų4680 Ų8024%0.23641%0.407CS..Hα-helixtrans-65.2-44.5172.7-75.2167.3000111.1L24 M31 R35 S36 N42 A43L24-I39 HydrophobicContact CD2-CG2 3.53Å; M31-I39 HydrophobicContact CE-CD1 3.14Å; M31-I39 HydrophobicContact CE-CG1 4.47Å; M31-I39 HydrophobicContact SD-CD1 3.51Å; M31-I39 VanDerWaalsContact SD-CD1 3.51Å; R35-I39 HydrophobicContact CB-CD1 4.4Å; R35-I39 WeakPolarHBondContact O-CB 3.4Å; R35-I39 WeakPolarHBondContact O-CD1 3.49Å; R35-I39 WeakPolarHBondContact O-CG1 3.31Å; R35-I39 PolarHBondContact O-N 2.91Å; S36-I39 PolarHBondContact O-N 2.99Å; I39-N42 PolarHBondContact O-N 2.88Å; I39-A43 WeakPolarHBondContact O-CB 3.25Å; I39-A43 PolarHBondContact O-N 2.67Å
40L83.1Confident72.1Confident55 Ų5572.7 Ų72.729%0.28838%0.381SS..Hα-helixtrans-61.1-48.3176.7-176.662.9000110.6E15 L18 L24 S36 A37 N42 A43 V44E15-L40 HydrophobicContact CG-CD1 4.27Å; L18-L40 HydrophobicContact CD1-CD1 3.74Å; L24-L40 HydrophobicContact CD1-CD1 3.88Å; S36-L40 WeakPolarHBondContact O-CB 3.36Å; S36-L40 PolarHBondContact O-N 2.98Å; A37-L40 PolarHBondContact O-N 3.09Å; L40-N42 VanDerWaalsContact C-N 3.34Å; L40-N42 PolarHBondContact O-N 3.06Å; L40-A43 WeakPolarHBondContact O-CB 3.48Å; L40-A43 PolarHBondContact O-N 2.57Å; L40-A43 VanDerWaalsContact O-N 3.16Å; L40-V44 HydrophobicContact CD1-CG2 4.47Å; L40-V44 VanDerWaalsContact O-CG2 3.28Å; L40-V44 WeakPolarHBondContact O-CG2 3.4Å; L40-V44 PolarHBondContact O-N 2.97Å
41S86.6Confident73.6Confident46 Ų4665.3 Ų65.332%0.32235%0.346SS..Hα-helixtrans-59.7-43.6177.7-172.10000112.2A37 A43 V44 S45 G57A37-S41 WeakPolarHBondContact O-CB 3.08Å; A37-S41 PolarHBondContact O-N 3.32Å; S41-A43 PolarHBondContact O-N 3.1Å; S41-V44 PolarHBondContact O-N 3.3Å; S41-S45 WeakPolarHBondContact O-CB 3.43Å; S41-S45 PolarHBondContact O-N 3.18Å; S41-S45 PolarHBondContact O-OG 2.96Å; S41-S45 VanDerWaalsContact O-OG 3.12Å; S41-G57 WeakPolarHBondContact CA-O 3.41Å; S41-G57 WeakPolarHBondContact CB-O 3.37Å; S41-G57 PolarHBondContact OG-O 3.39Å
42N86.2Confident75.2Confident92 Ų9264 Ų6449%0.49236%0.355SS..Hα-helixtrans-63.1-40.9175.1-73.1-20.3000112.7Q38 I39 L40 V44 S45 D46Q38-N42 WeakPolarHBondContact O-CB 3.39Å; Q38-N42 PolarHBondContact O-N 3.42Å; Q38-N42 PolarHBondContact O-ND2 3.23Å; I39-N42 PolarHBondContact O-N 2.88Å; L40-N42 VanDerWaalsContact C-N 3.34Å; L40-N42 PolarHBondContact O-N 3.06Å; N42-V44 VanDerWaalsContact C-N 3.35Å; N42-S45 PolarHBondContact O-N 2.83Å; N42-D46 WeakPolarHBondContact O-CB 3.49Å; N42-D46 PolarHBondContact O-N 3.18Å
43A85.5Confident77.1Confident3 Ų361.6 Ų61.63%0.02534%0.335CS..Hα-helixtrans-63.6-42.2177.200000111.5Y23 L24 I39 L40 S41 D46 M47Y23-A43 WeakPolarHBondContact O-CB 3.25Å; L24-A43 HydrophobicContact CD2-CB 3.54Å; L24-A43 HydrophobicContact CG-CB 3.7Å; I39-A43 WeakPolarHBondContact O-CB 3.25Å; I39-A43 PolarHBondContact O-N 2.67Å; L40-A43 WeakPolarHBondContact O-CB 3.48Å; L40-A43 PolarHBondContact O-N 2.57Å; L40-A43 VanDerWaalsContact O-N 3.16Å; S41-A43 PolarHBondContact O-N 3.1Å; A43-D46 PolarHBondContact O-N 3.32Å; A43-M47 PolarHBondContact O-N 3.1Å
44V89.2Confident78.7Confident4 Ų462.8 Ų62.82%0.02433%0.332CS..Hα-helixtrans-64.4-46.5174.5174.60000110.9L18 L40 S41 N42 D46 M47 Q48 Q58 M59 T63L18-V44 HydrophobicContact CD1-CG2 3.86Å; L40-V44 HydrophobicContact CD1-CG2 4.47Å; L40-V44 VanDerWaalsContact O-CG2 3.28Å; L40-V44 WeakPolarHBondContact O-CG2 3.4Å; L40-V44 PolarHBondContact O-N 2.97Å; S41-V44 PolarHBondContact O-N 3.3Å; N42-V44 VanDerWaalsContact C-N 3.35Å; V44-D46 VanDerWaalsContact C-N 3.26Å; V44-D46 PolarHBondContact O-N 3.06Å; V44-M47 PolarHBondContact O-N 3.45Å; V44-Q48 HydrophobicContact CG1-CG 4.24Å; V44-Q48 WeakPolarHBondContact O-CB 3.45Å; V44-Q48 VanDerWaalsContact O-CG 3.31Å; V44-Q48 WeakPolarHBondContact O-CG 3.45Å; V44-Q48 PolarHBondContact O-N 2.86Å; V44-Q58 WeakPolarHBondContact CG1-O 3.32Å; V44-M59 HydrophobicContact CB-CE 4.15Å; V44-M59 HydrophobicContact CG1-CE 3.55Å; V44-M59 HydrophobicContact CG2-CE 3.45Å; V44-M59 VanDerWaalsContact CG2-CE 3.45Å; V44-T63 HydrophobicContact CG1-CG2 4.35Å
45S87.4Confident81.1Confident22 Ų2257.9 Ų57.915%0.15431%0.312CS..Hα-helixtrans-59.2-38.8176.2-67.60000112.5S41 N42 R49 G57S41-S45 WeakPolarHBondContact O-CB 3.43Å; S41-S45 PolarHBondContact O-N 3.18Å; S41-S45 PolarHBondContact O-OG 2.96Å; S41-S45 VanDerWaalsContact O-OG 3.12Å; N42-S45 PolarHBondContact O-N 2.83Å; S45-R49 VanDerWaalsContact O-CB 3.25Å; S45-R49 WeakPolarHBondContact O-CB 3.44Å; S45-R49 PolarHBondContact O-N 3.18Å; S45-G57 WeakPolarHBondContact OG-CA 3.31Å; S45-G57 PolarHBondContact OG-N 3.12Å
46D85.3Confident82.8Confident51 Ų5153.4 Ų53.427%0.27330%0.301SS..Hα-helixtrans-68.5-39.9177.5-88.4-7.3000112.3Y23 N42 A43 V44 R49 F50 K77Y23-D46 HydrophobicContact CD1-CB 4.07Å; Y23-D46 HydrophobicContact CE1-CB 4.46Å; N42-D46 WeakPolarHBondContact O-CB 3.49Å; N42-D46 PolarHBondContact O-N 3.18Å; A43-D46 PolarHBondContact O-N 3.32Å; V44-D46 VanDerWaalsContact C-N 3.26Å; V44-D46 PolarHBondContact O-N 3.06Å; D46-R49 IonicContact OD1-NH1 3.86Å; D46-F50 WeakPolarHBondContact O-CB 3.4Å; D46-F50 PolarHBondContact O-N 2.87Å; D46-K77 VanDerWaalsContact CG-NZ 3.32Å; D46-K77 IonicContact OD2-NZ 2.64Å; D46-K77 PolarHBondContact OD2-NZ 3.4Å
47M88Confident83.7Confident0 Ų050.8 Ų50.80%028%0.283CS..Hα-helixtrans-63.9-50.2173.3176.2-79.5-161.200111W17 L18 Y23 A43 V44 R49 F50 Y51 T63 A66 M67W17-M47 HydrophobicContact CH2-CE 3.89Å; W17-M47 HydrophobicContact CH2-CG 4.04Å; W17-M47 HydrophobicContact CZ3-CE 4.14Å; W17-M47 HydrophobicContact CZ3-CG 3.79Å; L18-M47 HydrophobicContact CD2-CB 4.09Å; L18-M47 HydrophobicContact CD2-CG 4.39Å; Y23-M47 HydrophobicContact CD1-CB 3.82Å; Y23-M47 HydrophobicContact CD2-CB 4.29Å; Y23-M47 HydrophobicContact CE1-CB 3.7Å; Y23-M47 HydrophobicContact CE1-CG 4.45Å; Y23-M47 HydrophobicContact CE2-CB 4.16Å; Y23-M47 HydrophobicContact CE2-CG 4.18Å; Y23-M47 HydrophobicContact CG-CB 4.13Å; A43-M47 PolarHBondContact O-N 3.1Å; V44-M47 PolarHBondContact O-N 3.45Å; M47-R49 VanDerWaalsContact C-N 3.28Å; M47-R49 PolarHBondContact O-N 2.81Å; M47-F50 WeakPolarHBondContact O-CA 3.48Å; M47-F50 WeakPolarHBondContact O-CB 3.38Å; M47-F50 PolarHBondContact O-N 2.98Å; M47-Y51 HydrophobicContact CE-CD1 4.13Å; M47-Y51 HydrophobicContact CE-CD2 4.44Å; M47-Y51 HydrophobicContact CE-CE1 4.2Å; M47-Y51 HydrophobicContact CE-CG 4.27Å; M47-Y51 HydrophobicContact CG-CD2 4.19Å; M47-Y51 HydrophobicContact CG-CE2 4.34Å; M47-Y51 WeakPolarHBondContact O-CD2 3.31Å; M47-Y51 PolarHBondContact O-N 3.47Å; M47-Y51 HydrophobicContact SD-CD2 4.26Å; M47-Y51 HydrophobicContact SD-CG 4.25Å; M47-T63 HydrophobicContact CE-CG2 4.02Å; M47-T63 HydrophobicContact SD-CG2 3.91Å; M47-A66 HydrophobicContact CE-CB 4.48Å; M47-M67 HydrophobicContact CE-CB 4.38Å; M47-M67 HydrophobicContact CE-CE 3.74Å; M47-M67 HydrophobicContact CE-CG 3.26Å; M47-M67 HydrophobicContact CE-SD 4.36Å; M47-M67 HydrophobicContact CG-CE 4.35Å; M47-M67 HydrophobicContact SD-CE 4.29Å
48Q86.9Confident84.5Confident0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-55.7-45.9177.6-74.5170.7-25.400111V44 F50 Y51 G52 L53 E54 T56 Q58 T63V44-Q48 HydrophobicContact CG1-CG 4.24Å; V44-Q48 WeakPolarHBondContact O-CB 3.45Å; V44-Q48 VanDerWaalsContact O-CG 3.31Å; V44-Q48 WeakPolarHBondContact O-CG 3.45Å; V44-Q48 PolarHBondContact O-N 2.86Å; Q48-F50 VanDerWaalsContact C-N 3.31Å; Q48-F50 PolarHBondContact O-N 2.87Å; Q48-Y51 CarbonylContact O-C 3.58Å; Q48-Y51 PolarHBondContact O-N 3.44Å; Q48-G52 PolarHBondContact O-N 3.33Å; Q48-L53 HydrophobicContact CB-CB 4.07Å; Q48-L53 HydrophobicContact CG-CB 4.28Å; Q48-L53 HydrophobicContact CG-CD1 4.39Å; Q48-L53 PolarHBondContact O-N 3.33Å; Q48-E54 PolarHBondContact OE1-O 3.11Å; Q48-T56 PolarHBondContact NE2-OG1 2.92Å; Q48-Q58 PolarHBondContact NE2-O 2.95Å; Q48-Q58 VanDerWaalsContact NE2-O 3.13Å; Q48-T63 HydrophobicContact CG-CG2 4.13Å; Q48-T63 PolarHBondContact NE2-OG1 2.95Å
49R82.8Confident84.9Confident134 Ų13451.2 Ų51.251%0.50628%0.275SS..Hα-helixtrans-61.6-38.2176.1-178.9179.5-78.4135.3-5.8112.3S45 D46 M47 V55S45-R49 VanDerWaalsContact O-CB 3.25Å; S45-R49 WeakPolarHBondContact O-CB 3.44Å; S45-R49 PolarHBondContact O-N 3.18Å; D46-R49 IonicContact OD1-NH1 3.86Å; M47-R49 VanDerWaalsContact C-N 3.28Å; M47-R49 PolarHBondContact O-N 2.81Å; R49-V55 HydrophobicContact CB-CG2 4Å
50F80Confident85.2Confident36 Ų3651.2 Ų51.216%0.15828%0.276CS..Hα-helixtrans-70.9-36.1178.7-165.3-101.5000112.1Y23 D46 M47 Q48 G52 D76 H228 P238Y23-F50 HydrophobicContact CE1-CB 4.48Å; Y23-F50 WeakPolarHBondContact OH-CD1 3.4Å; D46-F50 WeakPolarHBondContact O-CB 3.4Å; D46-F50 PolarHBondContact O-N 2.87Å; M47-F50 WeakPolarHBondContact O-CA 3.48Å; M47-F50 WeakPolarHBondContact O-CB 3.38Å; M47-F50 PolarHBondContact O-N 2.98Å; Q48-F50 VanDerWaalsContact C-N 3.31Å; Q48-F50 PolarHBondContact O-N 2.87Å; F50-G52 VanDerWaalsContact C-N 3.3Å; F50-G52 PolarHBondContact O-N 3.16Å; F50-D76 HydrophobicContact CD1-CB 4.34Å; F50-D76 HydrophobicContact CE1-CB 4.03Å; F50-D76 HydrophobicContact CZ-CB 4.43Å; F50-H228 HydrophobicContact CE1-CB 4.11Å; F50-H228 HydrophobicContact CZ-CB 3.82Å; F50-P238 HydrophobicContact CD1-CG 4.12Å; F50-P238 HydrophobicContact CE1-CB 4.46Å; F50-P238 HydrophobicContact CE1-CG 3.69Å
51Y78.5Confident85.4Confident14 Ų1452.6 Ų52.66%0.05530%0.295CS..Hα-helixtrans-84.1-1.9179.6-82.1-124000113.3W17 M47 Q48 L53 A66 R71 P238 F239W17-Y51 HydrophobicContact CH2-CE2 4.24Å; W17-Y51 AromaticContact CH2-CZ 3.91Å; W17-Y51 WeakPolarHBondContact CH2-OH 3.39Å; M47-Y51 HydrophobicContact CE-CD1 4.13Å; M47-Y51 HydrophobicContact CE-CD2 4.44Å; M47-Y51 HydrophobicContact CE-CE1 4.2Å; M47-Y51 HydrophobicContact CE-CG 4.27Å; M47-Y51 HydrophobicContact CG-CD2 4.19Å; M47-Y51 HydrophobicContact CG-CE2 4.34Å; M47-Y51 WeakPolarHBondContact O-CD2 3.31Å; M47-Y51 PolarHBondContact O-N 3.47Å; M47-Y51 HydrophobicContact SD-CD2 4.26Å; M47-Y51 HydrophobicContact SD-CG 4.25Å; Q48-Y51 CarbonylContact O-C 3.58Å; Q48-Y51 PolarHBondContact O-N 3.44Å; Y51-L53 VanDerWaalsContact C-N 3.28Å; Y51-L53 PolarHBondContact O-N 2.85Å; Y51-A66 HydrophobicContact CD1-CB 4.17Å; Y51-R71 PolarHBondContact OH-NH1 3.3Å; Y51-P238 HydrophobicContact CE2-CG 4.02Å; Y51-F239 HydrophobicContact CD1-CD1 4.11Å; Y51-F239 HydrophobicContact CE1-CB 4.49Å; Y51-F239 HydrophobicContact CE1-CD1 4.08Å
52G77.2Confident85.3Confident60 Ų6056 Ų5662%0.61931%0.306SS*.THydrogen-bonded Turntrans7022.3-177.600000114.2Q48 F50Q48-G52 PolarHBondContact O-N 3.33Å; F50-G52 VanDerWaalsContact C-N 3.3Å; F50-G52 PolarHBondContact O-N 3.16Å
53L81.6Confident85.4Confident33 Ų3351.6 Ų51.617%0.17328%0.283CS..  trans-83.6166175.8-57.4178.2000111.4Q48 Y51 V55 Q62 A66Q48-L53 HydrophobicContact CB-CB 4.07Å; Q48-L53 HydrophobicContact CG-CB 4.28Å; Q48-L53 HydrophobicContact CG-CD1 4.39Å; Q48-L53 PolarHBondContact O-N 3.33Å; Y51-L53 VanDerWaalsContact C-N 3.28Å; Y51-L53 PolarHBondContact O-N 2.85Å; L53-V55 PolarHBondContact O-N 3.48Å; L53-Q62 HydrophobicContact CD2-CG 4.27Å; L53-A66 HydrophobicContact CD1-CB 3.75Å
54E83.3Confident85.6Confident148 Ų14853.6 Ų53.669%0.69229%0.292SS*.  trans-61.9127.2169.1-170.1174.3176.100109.9Q48 T56Q48-E54 PolarHBondContact OE1-O 3.11Å; E54-T56 HydrophobicContact CB-CG2 4.46Å; E54-T56 HydrophobicContact CG-CG2 4.14Å; E54-T56 PolarHBondContact O-N 3.43Å
55V89.9Confident85.4Confident66 Ų6657.2 Ų57.240%0.432%0.318SS..  trans-83.984.9-174.6-174.50000109.3R49 L53R49-V55 HydrophobicContact CB-CG2 4Å; L53-V55 PolarHBondContact O-N 3.48Å
56T88.9Confident85.2Confident54 Ų5456.6 Ų56.633%0.33131%0.314SS..  trans-92.3-25.2177.965.40000112.4Q48 E54 Q58 D60Q48-T56 PolarHBondContact NE2-OG1 2.92Å; E54-T56 HydrophobicContact CB-CG2 4.46Å; E54-T56 HydrophobicContact CG-CG2 4.14Å; E54-T56 PolarHBondContact O-N 3.43Å; T56-Q58 PolarHBondContact O-N 2.84Å; T56-Q58 PolarHBondContact OG1-N 3.39Å; T56-D60 PolarHBondContact OG1-OD2 3.33Å
57G86.9Confident85.3Confident5 Ų554.3 Ų54.35%0.05230%0.302CS..  trans66.915.5-171.800000113.7S41 S45S41-G57 WeakPolarHBondContact CA-O 3.41Å; S41-G57 WeakPolarHBondContact CB-O 3.37Å; S41-G57 PolarHBondContact OG-O 3.39Å; S45-G57 WeakPolarHBondContact OG-CA 3.31Å; S45-G57 PolarHBondContact OG-N 3.12Å
58Q89.2Confident85.2Confident138 Ų13858.5 Ų58.565%0.64532%0.32SS*.SBendtrans-118.2150.8-179.4-62.2-174.613.300110.7V44 Q48 T56 D60V44-Q58 WeakPolarHBondContact CG1-O 3.32Å; Q48-Q58 PolarHBondContact NE2-O 2.95Å; Q48-Q58 VanDerWaalsContact NE2-O 3.13Å; T56-Q58 PolarHBondContact O-N 2.84Å; T56-Q58 PolarHBondContact OG1-N 3.39Å; Q58-D60 PolarHBondContact O-N 3.11Å
59M86.1Confident85Confident68 Ų6863 Ų6334%0.33534%0.337SS..  trans-81.967.1176.1-157.893.3-52.100111.1A14 V44 T63 I64 M67A14-M59 HydrophobicContact CB-CG 4.47Å; A14-M59 HydrophobicContact CB-SD 3.45Å; A14-M59 WeakPolarHBondContact CB-SD 3.44Å; V44-M59 HydrophobicContact CB-CE 4.15Å; V44-M59 HydrophobicContact CG1-CE 3.55Å; V44-M59 HydrophobicContact CG2-CE 3.45Å; V44-M59 VanDerWaalsContact CG2-CE 3.45Å; M59-T63 HydrophobicContact CE-CG2 3.45Å; M59-T63 VanDerWaalsContact CE-CG2 3.45Å; M59-I64 HydrophobicContact CG-CD1 3.9Å; M59-I64 HydrophobicContact CG-CG1 3.65Å; M59-I64 HydrophobicContact SD-CG1 4.43Å; M59-M67 HydrophobicContact CE-CE 3.55Å; M59-M67 HydrophobicContact CE-SD 4.27Å; M59-M67 HydrophobicContact SD-CE 3.87Å; M59-M67 HydrophobicContact SD-SD 3.95Å
60D87.1Confident85.2Confident46 Ų4658.6 Ų58.625%0.24633%0.326CS..  trans-75.5165.2176.356.845.3000112.5T56 Q58 Q62 T63 I64T56-D60 PolarHBondContact OG1-OD2 3.33Å; Q58-D60 PolarHBondContact O-N 3.11Å; D60-Q62 PolarHBondContact O-N 2.98Å; D60-Q62 PolarHBondContact OD1-N 3.13Å; D60-T63 PolarHBondContact O-N 2.88Å; D60-T63 VanDerWaalsContact O-N 3.09Å; D60-T63 VanDerWaalsContact OD1-CB 3.24Å; D60-T63 WeakPolarHBondContact OD1-CB 3.13Å; D60-T63 PolarHBondContact OD1-N 2.83Å; D60-T63 PolarHBondContact OD1-OG1 2.56Å; D60-I64 WeakPolarHBondContact O-CG1 3.45Å; D60-I64 PolarHBondContact O-N 2.97Å
61A87.7Confident85.7Confident85 Ų8557 Ų5770%0.70232%0.319SS*.Hα-helixtrans-59.1-33.4-177.500000112.6S65A61-S65 VanDerWaalsContact O-CB 3.28Å; A61-S65 WeakPolarHBondContact O-CB 3.3Å; A61-S65 PolarHBondContact O-N 3.19Å
62Q84.7Confident86.2Confident116 Ų11656.6 Ų56.654%0.54232%0.318SS..Hα-helixtrans-68.1-41.4176.7-172178.110.700111.3L53 D60 S65 A66L53-Q62 HydrophobicContact CD2-CG 4.27Å; D60-Q62 PolarHBondContact O-N 2.98Å; D60-Q62 PolarHBondContact OD1-N 3.13Å; Q62-S65 PolarHBondContact O-N 3.02Å; Q62-A66 WeakPolarHBondContact O-CB 3.23Å; Q62-A66 PolarHBondContact O-N 3.31Å
63T87.7Confident86.6Confident1 Ų154.2 Ų54.21%0.00629%0.294CS..Hα-helixtrans-65.9-43.4177.1-54.90000111.1V44 M47 Q48 M59 D60 A66 M67V44-T63 HydrophobicContact CG1-CG2 4.35Å; M47-T63 HydrophobicContact CE-CG2 4.02Å; M47-T63 HydrophobicContact SD-CG2 3.91Å; Q48-T63 HydrophobicContact CG-CG2 4.13Å; Q48-T63 PolarHBondContact NE2-OG1 2.95Å; M59-T63 HydrophobicContact CE-CG2 3.45Å; M59-T63 VanDerWaalsContact CE-CG2 3.45Å; D60-T63 PolarHBondContact O-N 2.88Å; D60-T63 VanDerWaalsContact O-N 3.09Å; D60-T63 VanDerWaalsContact OD1-CB 3.24Å; D60-T63 WeakPolarHBondContact OD1-CB 3.13Å; D60-T63 PolarHBondContact OD1-N 2.83Å; D60-T63 PolarHBondContact OD1-OG1 2.56Å; T63-A66 WeakPolarHBondContact O-CB 3.26Å; T63-A66 PolarHBondContact O-N 3.23Å; T63-M67 HydrophobicContact CG2-CE 4.08Å; T63-M67 WeakPolarHBondContact O-CG 3.4Å; T63-M67 PolarHBondContact O-N 3.22Å
64I88.4Confident86.7Confident45 Ų4553 Ų5323%0.23129%0.288CS..Hα-helixtrans-64.3-44.5176-62.8172000110.5F12 M59 D60 A66 M67 K68F12-I64 HydrophobicContact CD1-CG2 4.31Å; F12-I64 HydrophobicContact CE1-CG2 4.29Å; M59-I64 HydrophobicContact CG-CD1 3.9Å; M59-I64 HydrophobicContact CG-CG1 3.65Å; M59-I64 HydrophobicContact SD-CG1 4.43Å; D60-I64 WeakPolarHBondContact O-CG1 3.45Å; D60-I64 PolarHBondContact O-N 2.97Å; I64-A66 PolarHBondContact O-N 2.86Å; I64-M67 PolarHBondContact O-N 3.42Å; I64-M67 VanDerWaalsContact O-N 3.17Å; I64-K68 HydrophobicContact CG2-CD 4.11Å; I64-K68 WeakPolarHBondContact O-CG 3.14Å; I64-K68 PolarHBondContact O-N 2.77Å; I64-K68 VanDerWaalsContact O-N 3.07Å
65S85.3Confident86.7Confident79 Ų7947 Ų4755%0.55226%0.262SS*.Hα-helixtrans-60.2-35.5175.9-175.30000111.8A61 Q62 R69A61-S65 VanDerWaalsContact O-CB 3.28Å; A61-S65 WeakPolarHBondContact O-CB 3.3Å; A61-S65 PolarHBondContact O-N 3.19Å; Q62-S65 PolarHBondContact O-N 3.02Å; S65-R69 WeakPolarHBondContact O-CG 3.17Å
66A83.9Confident86.3Confident9 Ų944.7 Ų44.77%0.07425%0.247CC..Hα-helixtrans-70.9-38.1175.800000112.6M47 Y51 L53 Q62 T63 I64 K68 R69M47-A66 HydrophobicContact CE-CB 4.48Å; Y51-A66 HydrophobicContact CD1-CB 4.17Å; L53-A66 HydrophobicContact CD1-CB 3.75Å; Q62-A66 WeakPolarHBondContact O-CB 3.23Å; Q62-A66 PolarHBondContact O-N 3.31Å; T63-A66 WeakPolarHBondContact O-CB 3.26Å; T63-A66 PolarHBondContact O-N 3.23Å; I64-A66 PolarHBondContact O-N 2.86Å; A66-K68 VanDerWaalsContact C-N 3.29Å; A66-K68 PolarHBondContact O-N 2.97Å; A66-R69 WeakPolarHBondContact O-CB 3.49Å; A66-R69 PolarHBondContact O-N 3.02Å
67M86.6Confident85.3Confident4 Ų445.3 Ų45.32%0.0225%0.245CC..Hα-helixtrans-65.3-31.3175.8-71.3177.9171.400113.4F12 A14 W17 L18 M47 M59 T63 I64 R69F12-M67 HydrophobicContact CE1-CB 4.23Å; F12-M67 HydrophobicContact CE1-SD 4.08Å; F12-M67 HydrophobicContact CE2-CB 4.29Å; F12-M67 HydrophobicContact CZ-CB 3.53Å; F12-M67 HydrophobicContact CZ-CG 4.26Å; F12-M67 HydrophobicContact CZ-SD 3.88Å; A14-M67 HydrophobicContact CB-SD 4.12Å; W17-M67 HydrophobicContact CD2-CB 4.19Å; W17-M67 HydrophobicContact CD2-CG 3.94Å; W17-M67 HydrophobicContact CD2-SD 4.21Å; W17-M67 HydrophobicContact CE3-CE 3.85Å; W17-M67 HydrophobicContact CE3-CG 4.01Å; W17-M67 HydrophobicContact CE3-SD 4.11Å; W17-M67 HydrophobicContact CH2-CG 4.17Å; W17-M67 HydrophobicContact CZ2-CB 4.16Å; W17-M67 HydrophobicContact CZ2-CG 4.04Å; W17-M67 HydrophobicContact CZ3-CE 4.05Å; W17-M67 HydrophobicContact CZ3-CG 4.15Å; W17-M67 PolarHBondContact NE1-O 3.43Å; L18-M67 HydrophobicContact CD1-CE 4.37Å; L18-M67 HydrophobicContact CD2-CE 3.78Å; L18-M67 HydrophobicContact CG-CE 3.95Å; M47-M67 HydrophobicContact CE-CB 4.38Å; M47-M67 HydrophobicContact CE-CE 3.74Å; M47-M67 HydrophobicContact CE-CG 3.26Å; M47-M67 HydrophobicContact CE-SD 4.36Å; M47-M67 HydrophobicContact CG-CE 4.35Å; M47-M67 HydrophobicContact SD-CE 4.29Å; M59-M67 HydrophobicContact CE-CE 3.55Å; M59-M67 HydrophobicContact CE-SD 4.27Å; M59-M67 HydrophobicContact SD-CE 3.87Å; M59-M67 HydrophobicContact SD-SD 3.95Å; T63-M67 HydrophobicContact CG2-CE 4.08Å; T63-M67 WeakPolarHBondContact O-CG 3.4Å; T63-M67 PolarHBondContact O-N 3.22Å; I64-M67 PolarHBondContact O-N 3.42Å; I64-M67 VanDerWaalsContact O-N 3.17Å; M67-R69 VanDerWaalsContact C-N 3.28Å
68K85.9Confident84.1Confident87 Ų8748.7 Ų48.738%0.37826%0.258SS..THydrogen-bonded Turntrans-81.3-2.5179.4-70.4179.1173.6-176.40113.5D8 S10 F12 I64 A66D8-K68 IonicContact OD2-NZ 3.06Å; S10-K68 PolarHBondContact OG-NZ 2.99Å; F12-K68 HydrophobicContact CD2-CG 4.23Å; F12-K68 HydrophobicContact CE2-CG 4.34Å; F12-K68 HydrophobicContact CG-CG 4.42Å; I64-K68 HydrophobicContact CG2-CD 4.11Å; I64-K68 WeakPolarHBondContact O-CG 3.14Å; I64-K68 PolarHBondContact O-N 2.77Å; I64-K68 VanDerWaalsContact O-N 3.07Å; A66-K68 VanDerWaalsContact C-N 3.29Å; A66-K68 PolarHBondContact O-N 2.97Å
69R83.1Confident81.8Confident95 Ų9546 Ų4636%0.35827%0.267SS..SBendtrans-69.9141.5176.8-68.4176.765.5179.91.6110S65 A66 M67 R71 Y240S65-R69 WeakPolarHBondContact O-CG 3.17Å; A66-R69 WeakPolarHBondContact O-CB 3.49Å; A66-R69 PolarHBondContact O-N 3.02Å; M67-R69 VanDerWaalsContact C-N 3.28Å; R69-R71 PolarHBondContact O-N 3.07Å; R69-Y240 PolarHBondContact NH2-O 3.45Å
70P87Confident79.5Confident42 Ų4246.3 Ų46.327%0.27329%0.288SS..  trans-54.9139171.8-20.930.7000110.7G176 L178 Y240P70-G176 WeakPolarHBondContact CA-O 3.32Å; P70-L178 HydrophobicContact CB-CD1 3.94Å; P70-L178 HydrophobicContact CB-CD2 3.83Å; P70-L178 HydrophobicContact CB-CG 3.95Å; P70-Y240 WeakPolarHBondContact O-CB 3.38Å; P70-Y240 PolarHBondContact O-N 3.11Å
71R90.1Very high77.3Confident2 Ų250.8 Ų50.81%0.00831%0.307CS..BIsolated β-bridgetrans-154.4168.3-17261162.8-73.5166.815113Y21 Y51 R69 V74 D76 G176 L178 H228 P238Y21-R71 VanDerWaalsContact CD1-NH1 3.3Å; Y21-R71 VanDerWaalsContact CD1-NH2 3.26Å; Y21-R71 VanDerWaalsContact CZ-CD 3.43Å; Y21-R71 VanDerWaalsContact CZ-CZ 3.48Å; Y21-R71 WeakPolarHBondContact OH-CD 3.34Å; Y21-R71 WeakPolarHBondContact OH-CG 3.29Å; Y21-R71 PolarHBondContact OH-NE 2.62Å; Y51-R71 PolarHBondContact OH-NH1 3.3Å; R69-R71 PolarHBondContact O-N 3.07Å; R71-V74 PolarHBondContact NH2-O 3.32Å; R71-D76 IonicContact CZ-OD1 3.1Å; R71-D76 IonicContact CZ-OD2 2.71Å; R71-D76 IonicContact NH1-OD1 2.77Å; R71-D76 IonicContact NH1-OD2 3.83Å; R71-D76 PolarHBondContact NH1-OD2 3.48Å; R71-D76 IonicContact NH2-OD1 3.62Å; R71-D76 PolarHBondContact NH2-OD1 3.2Å; R71-D76 IonicContact NH2-OD2 2.84Å; R71-G176 PolarHBondContact N-O 3.17Å; R71-L178 PolarHBondContact O-N 3.04Å; R71-H228 PolarHBondContact NH2-CE1 3.21Å; R71-P238 CarbonylContact C-O 3.59Å; R71-P238 VanDerWaalsContact CA-O 3.3Å; R71-P238 WeakPolarHBondContact CA-O 3.17Å; R71-P238 WeakPolarHBondContact CB-O 3.49Å
72C89.8Confident75.1Confident5 Ų553.4 Ų53.43%0.03431%0.308CS..  trans-69.8142.1168.9178.80000110.8V74 H218 E219 H228 P238C72-V74 VanDerWaalsContact C-N 3.29Å; C72-V74 PolarHBondContact O-N 2.9Å; C72-V74 VanDerWaalsContact SG-CG2 3.58Å; C72-V74 PolarHBondContact SG-N 2.9Å; C72-V74 VanDerWaalsContact SG-N 3.37Å; C72-H218 VanDerWaalsContact CB-NE2 3.33Å; C72-H218 WeakPolarHBondContact CB-NE2 3.45Å; C72-E219 PolarHBondContact SG-OE1 2.94Å; C72-E219 PolarHBondContact SG-OE2 3.08Å; C72-E219 VanDerWaalsContact SG-OE2 3.33Å; C72-H228 WeakPolarHBondContact CB-NE2 3.28Å; C72-P238 PolarHBondContact N-O 2.96Å
73G84.9Confident72.8Confident11 Ų1154 Ų5411%0.11331%0.309CS..SBendtrans-75.3-10.6177.800000115A179G73-A179 PolarHBondContact N-O 3.28Å
74V84.9Confident70.3Confident8 Ų859.7 Ų59.75%0.04834%0.344CS..SBendtrans-68.3135.7177.1176.90000110.5R71 C72 F78 H180 F183 H228R71-V74 PolarHBondContact NH2-O 3.32Å; C72-V74 VanDerWaalsContact C-N 3.29Å; C72-V74 PolarHBondContact O-N 2.9Å; C72-V74 VanDerWaalsContact SG-CG2 3.58Å; C72-V74 PolarHBondContact SG-N 2.9Å; C72-V74 VanDerWaalsContact SG-N 3.37Å; V74-F78 HydrophobicContact CG1-CE1 4.25Å; V74-F78 HydrophobicContact CG1-CZ 3.54Å; V74-H180 HydrophobicContact CG2-CB 4.05Å; V74-F183 HydrophobicContact CG1-CE2 4.48Å; V74-F183 HydrophobicContact CG1-CZ 4.02Å; V74-H228 PolarHBondContact O-CE1 3.02Å
75P82.3Confident67.6Low22 Ų2265.4 Ų65.414%0.14338%0.375CS..  trans-62.8140.9177.1-25.535.1000113.7K77 F78P75-K77 VanDerWaalsContact C-N 3.26Å; P75-K77 PolarHBondContact O-N 2.88Å; P75-F78 HydrophobicContact CB-CE1 4.34Å; P75-F78 HydrophobicContact CG-CE1 4.38Å; P75-F78 WeakPolarHBondContact O-CZ 3.41Å
76D81.4Confident65.1Low17 Ų1766 Ų669%0.09138%0.375CS..SBendtrans-70.9-25.8177.1-60-23.4000112.1Y21 Y23 F50 R71 H228 P238Y21-D76 PolarHBondContact O-N 3.42Å; Y21-D76 VanDerWaalsContact O-N 3.14Å; Y23-D76 HydrophobicContact CE2-CB 3.97Å; Y23-D76 WeakPolarHBondContact CE2-OD2 3.48Å; Y23-D76 VanDerWaalsContact OH-CB 3.29Å; Y23-D76 WeakPolarHBondContact OH-CB 3.48Å; Y23-D76 VanDerWaalsContact OH-CG 3.3Å; Y23-D76 PolarHBondContact OH-OD2 3.26Å; F50-D76 HydrophobicContact CD1-CB 4.34Å; F50-D76 HydrophobicContact CE1-CB 4.03Å; F50-D76 HydrophobicContact CZ-CB 4.43Å; R71-D76 IonicContact CZ-OD1 3.1Å; R71-D76 IonicContact CZ-OD2 2.71Å; R71-D76 IonicContact NH1-OD1 2.77Å; R71-D76 IonicContact NH1-OD2 3.83Å; R71-D76 PolarHBondContact NH1-OD2 3.48Å; R71-D76 IonicContact NH2-OD1 3.62Å; R71-D76 PolarHBondContact NH2-OD1 3.2Å; R71-D76 IonicContact NH2-OD2 2.84Å; D76-H228 IonicContact OD1-CE1 2.8Å; D76-H228 PolarHBondContact OD1-CE1 2.91Å; D76-H228 IonicContact OD1-CG 2.66Å; D76-H228 IonicContact OD1-ND1 3.11Å; D76-H228 PolarHBondContact OD1-ND1 3.08Å; D76-P238 VanDerWaalsContact OD1-CB 3.3Å; D76-P238 WeakPolarHBondContact OD1-CB 3.36Å
77K69.5Low62.8Low66 Ų6676.8 Ų76.829%0.28741%0.413SS..SBendtrans-131.8118.5179.6-65.4-176.3176.9-175.30110.8Y21 Y23 D46 P75Y21-K77 PolarHBondContact O-N 3.33Å; Y23-K77 HydrophobicContact CD1-CD 4.15Å; Y23-K77 HydrophobicContact CE1-CD 4.31Å; D46-K77 VanDerWaalsContact CG-NZ 3.32Å; D46-K77 IonicContact OD2-NZ 2.64Å; D46-K77 PolarHBondContact OD2-NZ 3.4Å; P75-K77 VanDerWaalsContact C-N 3.26Å; P75-K77 PolarHBondContact O-N 2.88Å
78F60.5Low60.8Low77 Ų7785.6 Ų85.634%0.33845%0.447SS..  trans-80.9140.5174-62.5-76.8000111.9V74 P75 F183 E227V74-F78 HydrophobicContact CG1-CE1 4.25Å; V74-F78 HydrophobicContact CG1-CZ 3.54Å; P75-F78 HydrophobicContact CB-CE1 4.34Å; P75-F78 HydrophobicContact CG-CE1 4.38Å; P75-F78 WeakPolarHBondContact O-CZ 3.41Å; F78-F183 HydrophobicContact CD1-CE2 4.39Å; F78-F183 AromaticContact CE1-CE2 3.54Å; F78-F183 HydrophobicContact CE1-CE2 3.54Å; F78-F183 HydrophobicContact CE1-CZ 4.14Å; F78-F183 AromaticContact CE2-CE2 3.87Å; F78-F183 HydrophobicContact CE2-CE2 3.87Å; F78-F183 AromaticContact CE2-CZ 3.74Å; F78-F183 HydrophobicContact CE2-CZ 3.74Å; F78-F183 AromaticContact CZ-CE2 3.25Å; F78-F183 HydrophobicContact CZ-CE2 3.25Å; F78-F183 AromaticContact CZ-CZ 3.36Å; F78-F183 HydrophobicContact CZ-CZ 3.36Å; F78-E227 HydrophobicContact CD2-CG 4.39Å; F78-E227 HydrophobicContact CE2-CG 4.01Å
79G40.8Very low58.8Low80 Ų8088.4 Ų88.483%0.82546%0.459SS*.THydrogen-bonded Turntrans-38.3135.2-163.700000117.3Q81G79-Q81 PolarHBondContact O-N 3.47Å
80G37.9Very low56.8Low75 Ų7593.5 Ų93.577%0.77348%0.478SS*.THydrogen-bonded Turntrans79.1-0.1160.500000117.1I82G80-I82 PolarHBondContact O-N 3.19Å
81Q41.3Very low55Low140 Ų14092.4 Ų92.465%0.65447%0.469SS*.  trans-80.460.4168-64.8-147.59.700112.1G79 K83G79-Q81 PolarHBondContact O-N 3.47Å; Q81-K83 HydrophobicContact CG-CG 4.49Å; Q81-K83 PolarHBondContact O-N 3.07Å
82I41.3Very low53.4Low141 Ų14193.3 Ų93.372%0.72348%0.476SS*.  trans-72.258139.3-49.2172.5000106.3G80 T84G80-I82 PolarHBondContact O-N 3.19Å; I82-T84 PolarHBondContact O-N 3.46Å
83K35.5Very low51.9Low129 Ų12994.3 Ų94.356%0.56148%0.481SS*.  trans-97.681.5167.8-74.6-168179.7179.10106.5Q81 N85 V86Q81-K83 HydrophobicContact CG-CG 4.49Å; Q81-K83 PolarHBondContact O-N 3.07Å; K83-N85 PolarHBondContact O-N 2.72Å; K83-V86 HydrophobicContact CB-CG2 4.04Å; K83-V86 HydrophobicContact CD-CG2 3.97Å
84T35Very low50.5Low119 Ų11994.9 Ų94.973%0.7348%0.482SS*.THydrogen-bonded Turntrans-51.8121.6154.345.70000106.7I82I82-T84 PolarHBondContact O-N 3.46Å
85N32.4Very low49.5Very low165 Ų16597.9 Ų97.988%0.88252%0.515SS*.THydrogen-bonded Turntrans84.439174.4-49.1-28.9000119.2K83K83-N85 PolarHBondContact O-N 2.72Å
86V34.2Very low49.1Very low91 Ų91101.8 Ų101.855%0.55253%0.531SS*.  trans-104.8128.4153.5-177.40000108.6K83 R88K83-V86 HydrophobicContact CB-CG2 4.04Å; K83-V86 HydrophobicContact CD-CG2 3.97Å; V86-R88 PolarHBondContact O-N 2.81Å
87R33.6Very low49.3Very low236 Ų236106.5 Ų106.589%0.89155%0.551SS**  trans-51.5108.8173.3-178.1-179.3-177.3-179.32107.9K89R87-K89 PolarHBondContact O-N 2.94Å
88R44.8Very low50.2Low190 Ų190104.2 Ų104.272%0.71754%0.541SS*.  trans-52.5124.6176-75.2-177.9174.9-177.9-4108V86V86-R88 PolarHBondContact O-N 2.81Å
89K45.5Very low51.5Low146 Ų146106.7 Ų106.764%0.63557%0.567SS**  trans-62.8146.6172-70.2-177.8-178.8175.20107.4R87 Y91R87-K89 PolarHBondContact O-N 2.94Å; K89-Y91 WeakPolarHBondContact CB-O 3.29Å; K89-Y91 PolarHBondContact O-N 2.69Å
90R39.6Very low53.8Low201 Ų201107 Ų10776%0.75855%0.546SS*.SBendtrans-63.9-22.7-179.2-176.1-176.3-71.2177.5-1.9111.9
91Y49.8Very low56.3Low20 Ų20106.8 Ų106.88%0.07853%0.532CS..SBendtrans-127.1153.3-178.3-45.4-82.7000110.3K89 L93 D253 Q256 Q260K89-Y91 WeakPolarHBondContact CB-O 3.29Å; K89-Y91 PolarHBondContact O-N 2.69Å; Y91-L93 PolarHBondContact O-N 3.32Å; Y91-D253 WeakPolarHBondContact CD1-O 3.49Å; Y91-Q256 HydrophobicContact CD1-CB 4.06Å; Y91-Q256 HydrophobicContact CE1-CB 3.28Å; Y91-Q256 HydrophobicContact CE1-CG 4.31Å; Y91-Q256 PolarHBondContact OH-OE1 2.64Å; Y91-Q260 HydrophobicContact CD2-CG 4.41Å; Y91-Q260 VanDerWaalsContact CD2-NE2 3.25Å; Y91-Q260 VanDerWaalsContact CD2-OE1 3.24Å
92A56.3Low58.9Low20 Ų20103.9 Ų103.917%0.16552%0.519CS..  trans-81.496.1-178.600000109.5E227 H228A92-E227 VanDerWaalsContact CB-C 3.49Å; A92-E227 HydrophobicContact CB-CB 3.61Å; A92-E227 VanDerWaalsContact CB-O 3.23Å; A92-E227 WeakPolarHBondContact CB-O 3.32Å; A92-E227 PolarHBondContact O-N 3.19Å; A92-H228 WeakPolarHBondContact CB-O 3.46Å
93L57.6Low61.5Low27 Ų2797.1 Ų97.114%0.14148%0.484CS..BIsolated β-bridgetrans-124.8118.3-173.1-61.5-179.8000110.4Y91 G95 L226 Q260 I261Y91-L93 PolarHBondContact O-N 3.32Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.13Å; L93-L226 HydrophobicContact CD2-CD2 4.07Å; L93-Q260 HydrophobicContact CD1-CB 4.16Å; L93-I261 HydrophobicContact CD2-CD1 3.68Å; L93-I261 HydrophobicContact CD2-CG1 3.54Å
94T57.2Low64.3Low22 Ų2292.2 Ų92.214%0.13547%0.465CS..  trans-67.1-24.817955.50000114.5H96 F183 G225 E227T94-H96 PolarHBondContact O-N 3.49Å; T94-H96 PolarHBondContact O-ND1 3.3Å; T94-H96 PolarHBondContact OG1-N 3.11Å; T94-H96 PolarHBondContact OG1-O 3.14Å; T94-F183 HydrophobicContact CG2-CD1 3.33Å; T94-F183 HydrophobicContact CG2-CD2 3.96Å; T94-F183 HydrophobicContact CG2-CE1 3.18Å; T94-F183 HydrophobicContact CG2-CE2 3.81Å; T94-F183 HydrophobicContact CG2-CG 3.72Å; T94-F183 HydrophobicContact CG2-CZ 3.42Å; T94-F183 VanDerWaalsContact CG2-CZ 3.42Å; T94-G225 PolarHBondContact N-O 2.81Å; T94-G225 PolarHBondContact OG1-O 2.93Å; T94-E227 WeakPolarHBondContact CA-OE1 3.38Å; T94-E227 HydrophobicContact CG2-CB 4.49Å; T94-E227 HydrophobicContact CG2-CG 3.23Å
95G63.5Low67.2Low72 Ų7286.9 Ų86.974%0.74243%0.432SS*.SBendtrans79.2-2-165.400000114.4L93L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.13Å
96H72.8Confident70.2Confident104 Ų10479 Ų7948%0.48139%0.39SS..  trans-90.2133.3169.9-6176.5000108.6T94 F183 P184T94-H96 PolarHBondContact O-N 3.49Å; T94-H96 PolarHBondContact O-ND1 3.3Å; T94-H96 PolarHBondContact OG1-N 3.11Å; T94-H96 PolarHBondContact OG1-O 3.14Å; H96-F183 HydrophobicContact CB-CB 4.22Å; H96-P184 HydrophobicContact CB-CB 4.49Å
97K85.7Confident73.1Confident115 Ų11574.9 Ų74.950%0.536%0.364SS..  trans-149141.4-173.9169.1178.8177.4175.20109.2S99 I261 Y262K97-S99 PolarHBondContact O-N 2.93Å; K97-I261 HydrophobicContact CB-CG2 3.8Å; K97-I261 HydrophobicContact CD-CG2 3.65Å; K97-I261 WeakPolarHBondContact CD-O 3.42Å; K97-I261 VanDerWaalsContact CE-O 3.26Å; K97-I261 WeakPolarHBondContact CE-O 3.4Å; K97-I261 HydrophobicContact CG-CG2 3.58Å; K97-I261 PolarHBondContact NZ-O 3.2Å; K97-Y262 HydrophobicContact CD-CD1 4.5Å; K97-Y262 HydrophobicContact CD-CE1 4.27Å; K97-Y262 HydrophobicContact CG-CD1 4.4Å; K97-Y262 HydrophobicContact CG-CE1 3.7Å
98W89.4Confident75.9Confident19 Ų1966.8 Ų66.87%0.07234%0.337CS..  trans-64.2127.2168.3-67.8110.2000111.5K100 L103 D155 I156 P184 G189 A223 Y262W98-K100 PolarHBondContact O-N 3.35Å; W98-L103 HydrophobicContact CB-CD1 4.36Å; W98-L103 HydrophobicContact CB-CD2 3.96Å; W98-L103 HydrophobicContact CD2-CD1 4.43Å; W98-L103 HydrophobicContact CD2-CD2 3.71Å; W98-L103 HydrophobicContact CE3-CD2 4.05Å; W98-L103 HydrophobicContact CG-CD1 3.86Å; W98-L103 HydrophobicContact CG-CD2 3.67Å; W98-L103 HydrophobicContact CG-CG 4.41Å; W98-D155 HydrophobicContact CH2-CB 3.98Å; W98-D155 HydrophobicContact CZ2-CB 4.33Å; W98-D155 HydrophobicContact CZ3-CB 4.3Å; W98-I156 HydrophobicContact CZ2-CG1 4.37Å; W98-P184 HydrophobicContact CD2-CB 3.84Å; W98-P184 HydrophobicContact CE3-CB 4.49Å; W98-P184 HydrophobicContact CG-CB 3.97Å; W98-P184 HydrophobicContact CG-CG 4.37Å; W98-P184 HydrophobicContact CZ2-CB 4.24Å; W98-G189 WeakPolarHBondContact CH2-O 3.47Å; W98-G189 WeakPolarHBondContact CZ2-O 3.42Å; W98-A223 PolarHBondContact NE1-O 3.26Å; W98-Y262 HydrophobicContact CB-CE1 4.17Å; W98-Y262 PolarHBondContact N-OH 3.38Å
99S87.7Confident78.2Confident128 Ų12860.6 Ų60.690%0.89532%0.318SS*.SBendtrans-70.8-15.7177.456.30000113.2K97K97-S99 PolarHBondContact O-N 2.93Å
100K89.6Confident80.6Confident87 Ų8756.4 Ų56.438%0.37830%0.298SS..  trans-114.9152.8179.457.4-179174.4164.10111.3W98 H102 L103 D155W98-K100 PolarHBondContact O-N 3.35Å; K100-H102 VanDerWaalsContact CD-O 3.32Å; K100-H102 WeakPolarHBondContact CD-O 3.43Å; K100-L103 HydrophobicContact CD-CD2 4.3Å; K100-L103 HydrophobicContact CG-CD2 3.83Å; K100-D155 WeakPolarHBondContact CE-OD1 3.45Å; K100-D155 WeakPolarHBondContact CE-OD2 3.38Å; K100-D155 IonicContact NZ-OD1 3.78Å; K100-D155 PolarHBondContact NZ-OD1 3.02Å; K100-D155 IonicContact NZ-OD2 2.81Å; K100-D155 PolarHBondContact NZ-OD2 3.47Å
101S90.4Very high83.1Confident70 Ų7046.9 Ų46.949%0.4926%0.262SS..SBendtrans-94.1-13.5177.154.90000113.7L136 T137S101-L136 CarbonylContact O-C 3.53Å; S101-L136 VanDerWaalsContact O-CA 3.27Å; S101-L136 WeakPolarHBondContact O-CA 3.14Å; S101-T137 PolarHBondContact O-N 3.45Å; S101-T137 PolarHBondContact O-OG1 3.35Å
102H94.8Very high85Confident79 Ų7951.4 Ų51.437%0.36630%0.295SS..EExtended strand (participates in β ladder)trans-108112.9177.3-174.874000108.9K100 T137 D139K100-H102 VanDerWaalsContact CD-O 3.32Å; K100-H102 WeakPolarHBondContact CD-O 3.43Å; H102-T137 WeakPolarHBondContact CA-OG1 3.15Å; H102-T137 PolarHBondContact ND1-OG1 3.28Å; H102-D139 IonicContact CE1-OD1 3.66Å; H102-D139 IonicContact CE1-OD2 3.83Å; H102-D139 PolarHBondContact CE1-OD2 3.12Å; H102-D139 IonicContact NE2-OD2 2.79Å; H102-D139 PolarHBondContact NE2-OD2 3.26Å
103L95.3Very high86.7Confident0 Ų056.3 Ų56.30%031%0.312CS..EExtended strand (participates in β ladder)trans-114.3143.6-175.7-62.7175000109.9W98 K100 L136 T137 F138 D139 D155 L224W98-L103 HydrophobicContact CB-CD1 4.36Å; W98-L103 HydrophobicContact CB-CD2 3.96Å; W98-L103 HydrophobicContact CD2-CD1 4.43Å; W98-L103 HydrophobicContact CD2-CD2 3.71Å; W98-L103 HydrophobicContact CE3-CD2 4.05Å; W98-L103 HydrophobicContact CG-CD1 3.86Å; W98-L103 HydrophobicContact CG-CD2 3.67Å; W98-L103 HydrophobicContact CG-CG 4.41Å; K100-L103 HydrophobicContact CD-CD2 4.3Å; K100-L103 HydrophobicContact CG-CD2 3.83Å; L103-L136 HydrophobicContact CD1-CD1 4.31Å; L103-T137 PolarHBondContact N-O 2.79Å; L103-F138 HydrophobicContact CB-CD1 3.89Å; L103-F138 HydrophobicContact CB-CE1 4.07Å; L103-F138 HydrophobicContact CD1-CD1 4.4Å; L103-F138 HydrophobicContact CD1-CE1 3.7Å; L103-F138 HydrophobicContact CD1-CZ 4.41Å; L103-F138 HydrophobicContact CG-CE1 4.45Å; L103-F138 WeakPolarHBondContact O-CA 3.15Å; L103-D139 PolarHBondContact O-N 2.85Å; L103-D155 WeakPolarHBondContact CA-OD2 3.22Å; L103-D155 HydrophobicContact CD2-CB 4.22Å; L103-L224 HydrophobicContact CD1-CD2 3.85Å
104T94.9Very high88.4Confident26 Ų2656.1 Ų56.116%0.1631%0.311CS..EExtended strand (participates in β ladder)trans-108.4142.9173.9560000110.4D139 I141 P154 D155 I156T104-D139 CarbonylContact C-O 3.54Å; T104-D139 VanDerWaalsContact CA-O 3.24Å; T104-D139 WeakPolarHBondContact CA-O 3.17Å; T104-D139 HydrophobicContact CG2-CB 4.29Å; T104-I141 HydrophobicContact CG2-CD1 3.91Å; T104-I141 HydrophobicContact CG2-CG1 4.38Å; T104-P154 WeakPolarHBondContact OG1-CA 3.48Å; T104-D155 PolarHBondContact N-OD2 3.48Å; T104-D155 WeakPolarHBondContact O-CA 3.39Å; T104-D155 WeakPolarHBondContact O-CB 3.37Å; T104-D155 PolarHBondContact O-N 3.14Å; T104-D155 PolarHBondContact OG1-N 2.94Å; T104-D155 PolarHBondContact OG1-OD2 3.02Å; T104-I156 PolarHBondContact O-N 3.17Å; T104-I156 VanDerWaalsContact O-N 3.08Å
105Y96.2Very high90Very high6 Ų656.3 Ų56.32%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-132159.8174.473.4-81.5000111.8I107 F127 F138 D139 E140 I141 I156 I158Y105-I107 HydrophobicContact CD2-CG1 4.37Å; Y105-I107 HydrophobicContact CE2-CD1 4.34Å; Y105-I107 HydrophobicContact CE2-CG1 4.29Å; Y105-F127 HydrophobicContact CD1-CD1 4.45Å; Y105-F127 HydrophobicContact CD1-CD2 4.18Å; Y105-F127 HydrophobicContact CD1-CE1 4.18Å; Y105-F127 AromaticContact CD1-CE2 3.91Å; Y105-F127 HydrophobicContact CD1-CE2 3.91Å; Y105-F127 HydrophobicContact CD1-CG 4.43Å; Y105-F127 AromaticContact CD1-CZ 3.9Å; Y105-F127 HydrophobicContact CD1-CZ 3.9Å; Y105-F127 AromaticContact CD2-CD2 3.97Å; Y105-F127 HydrophobicContact CD2-CD2 3.97Å; Y105-F127 AromaticContact CD2-CE2 3.28Å; Y105-F127 HydrophobicContact CD2-CE2 3.28Å; Y105-F127 AromaticContact CD2-CZ 3.77Å; Y105-F127 HydrophobicContact CD2-CZ 3.77Å; Y105-F127 AromaticContact CE1-CD2 3.98Å; Y105-F127 HydrophobicContact CE1-CD2 3.98Å; Y105-F127 HydrophobicContact CE1-CE2 4.13Å; Y105-F127 HydrophobicContact CE1-CG 4.23Å; Y105-F127 AromaticContact CE2-CD2 3.74Å; Y105-F127 HydrophobicContact CE2-CD2 3.74Å; Y105-F127 AromaticContact CE2-CE2 3.53Å; Y105-F127 HydrophobicContact CE2-CE2 3.53Å; Y105-F127 HydrophobicContact CE2-CZ 4.39Å; Y105-F127 HydrophobicContact CG-CD2 4.16Å; Y105-F127 HydrophobicContact CG-CE1 4.18Å; Y105-F127 AromaticContact CG-CE2 3.47Å; Y105-F127 HydrophobicContact CG-CE2 3.47Å; Y105-F127 VanDerWaalsContact CG-CE2 3.47Å; Y105-F127 AromaticContact CG-CZ 3.47Å; Y105-F127 HydrophobicContact CG-CZ 3.47Å; Y105-F127 VanDerWaalsContact CG-CZ 3.47Å; Y105-F127 AromaticContact CZ-CD2 3.73Å; Y105-F127 AromaticContact CZ-CE2 3.94Å; Y105-F138 HydrophobicContact CD1-CB 4.08Å; Y105-F138 HydrophobicContact CE1-CB 4.01Å; Y105-D139 PolarHBondContact N-O 3.2Å; Y105-E140 HydrophobicContact CD2-CG 4.28Å; Y105-E140 HydrophobicContact CE1-CB 3.84Å; Y105-E140 HydrophobicContact CE1-CG 4.42Å; Y105-E140 HydrophobicContact CE2-CB 4.03Å; Y105-E140 HydrophobicContact CE2-CG 3.7Å; Y105-E140 CarbonylContact O-C 3.57Å; Y105-E140 WeakPolarHBondContact O-CA 3.33Å; Y105-I141 PolarHBondContact O-N 3.29Å; Y105-I156 CarbonylContact C-O 3.52Å; Y105-I156 WeakPolarHBondContact CA-O 3.19Å; Y105-I156 WeakPolarHBondContact CB-O 3.15Å; Y105-I158 HydrophobicContact CD2-CD1 4.35Å
106S95.4Very high91.4Very high0 Ų058.9 Ų58.90%031%0.31CS..EExtended strand (participates in β ladder)trans-143.1139173.4-164.80000111.3I141 Y143 I146 I156 I158S106-I141 VanDerWaalsContact CB-O 3.25Å; S106-I141 WeakPolarHBondContact CB-O 3.37Å; S106-I141 PolarHBondContact OG-O 2.86Å; S106-Y143 WeakPolarHBondContact OG-CA 3.48Å; S106-Y143 PolarHBondContact OG-N 3.42Å; S106-I146 VanDerWaalsContact OG-CD1 3.28Å; S106-I146 WeakPolarHBondContact OG-CD1 3.23Å; S106-I156 PolarHBondContact N-O 3.33Å; S106-I158 PolarHBondContact O-N 3.35Å
107I95.9Very high92.4Very high5 Ų561.4 Ų61.43%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-99.5112.9175.3-51.3169.4000108.2Y105 N109 Y110 Y120 I123 Y143Y105-I107 HydrophobicContact CD2-CG1 4.37Å; Y105-I107 HydrophobicContact CE2-CD1 4.34Å; Y105-I107 HydrophobicContact CE2-CG1 4.29Å; I107-N109 VanDerWaalsContact CG2-O 3.3Å; I107-N109 WeakPolarHBondContact CG2-O 3.49Å; I107-Y110 HydrophobicContact CB-CE1 4.11Å; I107-Y110 HydrophobicContact CD1-CE1 4.17Å; I107-Y110 HydrophobicContact CG2-CD1 3.87Å; I107-Y110 HydrophobicContact CG2-CE1 3.41Å; I107-Y110 VanDerWaalsContact CG2-CE1 3.41Å; I107-Y120 HydrophobicContact CD1-CD2 3.97Å; I107-Y120 HydrophobicContact CD1-CE2 4.41Å; I107-I123 HydrophobicContact CD1-CB 4.01Å; I107-I123 HydrophobicContact CD1-CD1 4.09Å; I107-I123 HydrophobicContact CD1-CG2 3.78Å; I107-I123 HydrophobicContact CG1-CD1 4.35Å; I107-I123 HydrophobicContact CG1-CG2 4.1Å; I107-I123 HydrophobicContact CG2-CD1 4.06Å; I107-Y143 WeakPolarHBondContact O-CB 3.34Å
108Q92.3Very high92.8Very high65 Ų6558.8 Ų58.830%0.30431%0.308SS..  trans-74.9-43.1-175.5176.5171.632.100112.7Y143 M157 I158 F159Q108-Y143 HydrophobicContact CB-CD2 4.01Å; Q108-Y143 HydrophobicContact CB-CE2 4.03Å; Q108-Y143 HydrophobicContact CB-CG 4.33Å; Q108-Y143 HydrophobicContact CG-CD1 4.25Å; Q108-Y143 HydrophobicContact CG-CD2 4.1Å; Q108-Y143 HydrophobicContact CG-CE1 3.85Å; Q108-Y143 HydrophobicContact CG-CE2 3.68Å; Q108-Y143 HydrophobicContact CG-CG 4.38Å; Q108-Y143 PolarHBondContact NE2-OH 3.4Å; Q108-M157 HydrophobicContact CB-SD 4.17Å; Q108-M157 PolarHBondContact OE1-SD 3.37Å; Q108-I158 WeakPolarHBondContact CB-O 3.44Å; Q108-I158 PolarHBondContact N-O 3.37Å; Q108-F159 HydrophobicContact CB-CB 3.77Å; Q108-F159 HydrophobicContact CG-CB 4.3Å; Q108-F159 VanDerWaalsContact OE1-CB 3.26Å
109N93Very high93.1Very high60 Ų6057.9 Ų57.932%0.32130%0.304SS..  trans-152.6175.8-17967.3-15.7000110.6I107 F159 F160I107-N109 VanDerWaalsContact CG2-O 3.3Å; I107-N109 WeakPolarHBondContact CG2-O 3.49Å; N109-F159 VanDerWaalsContact OD1-CA 3.26Å; N109-F159 WeakPolarHBondContact OD1-CA 3.42Å; N109-F159 VanDerWaalsContact OD1-CB 3.3Å; N109-F159 WeakPolarHBondContact OD1-CB 3.39Å; N109-F160 PolarHBondContact ND2-O 3.28Å; N109-F160 WeakPolarHBondContact O-CD2 3.42Å; N109-F160 PolarHBondContact OD1-N 2.92Å
110Y94.3Very high93.4Very high58 Ų5854.2 Ų54.223%0.22727%0.271CS..  trans-134.2154.1-173.9-55.4-80.7000110.9I107 E116 Y120I107-Y110 HydrophobicContact CB-CE1 4.11Å; I107-Y110 HydrophobicContact CD1-CE1 4.17Å; I107-Y110 HydrophobicContact CG2-CD1 3.87Å; I107-Y110 HydrophobicContact CG2-CE1 3.41Å; I107-Y110 VanDerWaalsContact CG2-CE1 3.41Å; Y110-E116 HydrophobicContact CD1-CG 4.43Å; Y110-E116 HydrophobicContact CD2-CB 4.21Å; Y110-E116 HydrophobicContact CD2-CG 3.49Å; Y110-E116 VanDerWaalsContact CD2-CG 3.49Å; Y110-E116 HydrophobicContact CE2-CG 3.74Å; Y110-E116 VanDerWaalsContact CE2-OE1 3.29Å; Y110-E116 WeakPolarHBondContact CE2-OE1 3.45Å; Y110-E116 HydrophobicContact CG-CB 4.24Å; Y110-E116 HydrophobicContact CG-CG 3.86Å; Y110-Y120 AromaticContact CE1-CD2 3.97Å; Y110-Y120 HydrophobicContact CE1-CD2 3.97Å; Y110-Y120 HydrophobicContact CE1-CG 4.39Å; Y110-Y120 WeakPolarHBondContact OH-CD2 3.5Å
111T92.7Very high93.7Very high1 Ų153 Ų531%0.00627%0.267CS..  trans-79.3130.8176.7175.20000111.5K113 I114 G115 S119 F160 W200 L212T111-K113 PolarHBondContact O-N 3.12Å; T111-K113 WeakPolarHBondContact OG1-CG 3.44Å; T111-K113 PolarHBondContact OG1-N 3.32Å; T111-I114 HydrophobicContact CG2-CD1 4.24Å; T111-I114 HydrophobicContact CG2-CG1 3.73Å; T111-G115 CarbonylContact O-C 3.56Å; T111-G115 PolarHBondContact O-N 2.82Å; T111-S119 WeakPolarHBondContact CG2-OG 3.38Å; T111-S119 PolarHBondContact N-OG 2.95Å; T111-S119 PolarHBondContact O-OG 3.45Å; T111-F160 HydrophobicContact CG2-CD1 4.18Å; T111-F160 HydrophobicContact CG2-CE1 3.71Å; T111-F160 HydrophobicContact CG2-CZ 4.03Å; T111-W200 HydrophobicContact CG2-CB 4.31Å; T111-W200 HydrophobicContact CG2-CG 4.23Å; T111-L212 HydrophobicContact CG2-CD2 4.38Å
112P90.7Very high94Very high116 Ų11649.8 Ų49.875%0.75324%0.244SC*.THydrogen-bonded Turntrans-71-14.3176.130-35000112.8
113K91.1Very high94.1Very high122 Ų12246 Ų4653%0.5323%0.227SC..THydrogen-bonded Turntrans-64.7-43.7-174.9-58.6-73.7-1741620112.4T111 W200T111-K113 PolarHBondContact O-N 3.12Å; T111-K113 WeakPolarHBondContact OG1-CG 3.44Å; T111-K113 PolarHBondContact OG1-N 3.32Å; K113-W200 HydrophobicContact CB-CB 4.28Å
114I92.6Very high94.1Very high24 Ų2449.6 Ų49.612%0.12324%0.241CC..THydrogen-bonded Turntrans-106.9-8.717562.3171.1000112.6T111 N118 S119 W200 I202 L212T111-I114 HydrophobicContact CG2-CD1 4.24Å; T111-I114 HydrophobicContact CG2-CG1 3.73Å; I114-N118 HydrophobicContact CB-CB 4.12Å; I114-N118 HydrophobicContact CD1-CB 4.04Å; I114-N118 HydrophobicContact CG1-CB 4.11Å; I114-N118 WeakPolarHBondContact O-CB 3.38Å; I114-N118 PolarHBondContact O-ND2 3.24Å; I114-S119 WeakPolarHBondContact CG1-OG 3.28Å; I114-W200 HydrophobicContact CG2-CB 4.29Å; I114-W200 WeakPolarHBondContact CG2-O 3.33Å; I114-I202 HydrophobicContact CD1-CB 4.45Å; I114-I202 HydrophobicContact CG2-CG2 4.5Å; I114-L212 HydrophobicContact CD1-CB 4.11Å; I114-L212 HydrophobicContact CD1-CD2 3.6Å
115G92Very high94.2Very high25 Ų2552.2 Ų52.226%0.25825%0.248SC..  trans88.3161.2-179.200000113.6T111 Y117 N118 S119T111-G115 CarbonylContact O-C 3.56Å; T111-G115 PolarHBondContact O-N 2.82Å; G115-Y117 PolarHBondContact O-N 3.31Å; G115-N118 PolarHBondContact O-N 3.02Å; G115-S119 WeakPolarHBondContact O-CB 3.45Å; G115-S119 PolarHBondContact O-N 3.18Å; G115-S119 PolarHBondContact O-OG 3.48Å
116E92.7Very high94.2Very high127 Ų12752 Ų5259%0.59325%0.247SC*.Hα-helixtrans-59-49.7-175.6172.9165.8-164.500112.6Y110 N118 S119 Y120Y110-E116 HydrophobicContact CD1-CG 4.43Å; Y110-E116 HydrophobicContact CD2-CB 4.21Å; Y110-E116 HydrophobicContact CD2-CG 3.49Å; Y110-E116 VanDerWaalsContact CD2-CG 3.49Å; Y110-E116 HydrophobicContact CE2-CG 3.74Å; Y110-E116 VanDerWaalsContact CE2-OE1 3.29Å; Y110-E116 WeakPolarHBondContact CE2-OE1 3.45Å; Y110-E116 HydrophobicContact CG-CB 4.24Å; Y110-E116 HydrophobicContact CG-CG 3.86Å; E116-N118 PolarHBondContact O-N 3.12Å; E116-S119 PolarHBondContact O-N 2.82Å; E116-Y120 WeakPolarHBondContact O-CB 3.29Å; E116-Y120 PolarHBondContact O-N 2.87Å
117Y94.1Very high94.3Very high157 Ų15752.1 Ų52.162%0.61625%0.247SC*.Hα-helixtrans-59.4-45.3-179.3176.5-102.4000113G115 Y120 E121G115-Y117 PolarHBondContact O-N 3.31Å; Y117-Y120 WeakPolarHBondContact O-CB 3.48Å; Y117-Y120 PolarHBondContact O-N 3.4Å; Y117-E121 HydrophobicContact CD2-CG 4.37Å; Y117-E121 HydrophobicContact CE1-CG 4.11Å; Y117-E121 HydrophobicContact CE2-CG 3.82Å; Y117-E121 WeakPolarHBondContact O-CB 3.3Å; Y117-E121 PolarHBondContact O-N 2.8Å
118N94.4Very high94.3Very high60 Ų6058.1 Ų58.132%0.32127%0.27SS..Hα-helixtrans-70.6-38.4-179.2-69.7-32.7000111.6I114 G115 E116 Y120 A122 I202I114-N118 HydrophobicContact CB-CB 4.12Å; I114-N118 HydrophobicContact CD1-CB 4.04Å; I114-N118 HydrophobicContact CG1-CB 4.11Å; I114-N118 WeakPolarHBondContact O-CB 3.38Å; I114-N118 PolarHBondContact O-ND2 3.24Å; G115-N118 PolarHBondContact O-N 3.02Å; E116-N118 PolarHBondContact O-N 3.12Å; N118-Y120 VanDerWaalsContact C-N 3.34Å; N118-A122 VanDerWaalsContact O-CB 3.23Å; N118-A122 WeakPolarHBondContact O-CB 3.29Å; N118-A122 PolarHBondContact O-N 3.42Å; N118-I202 HydrophobicContact CB-CD1 3.82Å
119S94.8Very high94.4Very high0 Ų056.3 Ų56.30%026%0.263CS..Hα-helixtrans-61.2-46.3174.1-55.80000111.1T111 I114 G115 E116 A122 I123T111-S119 WeakPolarHBondContact CG2-OG 3.38Å; T111-S119 PolarHBondContact N-OG 2.95Å; T111-S119 PolarHBondContact O-OG 3.45Å; I114-S119 WeakPolarHBondContact CG1-OG 3.28Å; G115-S119 WeakPolarHBondContact O-CB 3.45Å; G115-S119 PolarHBondContact O-N 3.18Å; G115-S119 PolarHBondContact O-OG 3.48Å; E116-S119 PolarHBondContact O-N 2.82Å; S119-A122 PolarHBondContact O-N 3.39Å; S119-I123 WeakPolarHBondContact O-CG1 3.09Å; S119-I123 PolarHBondContact O-N 2.83Å; S119-I123 VanDerWaalsContact O-N 3.16Å
120Y95.1Very high94.6Very high51 Ų5153.5 Ų53.520%0.225%0.248CC..Hα-helixtrans-58.2-54.2176.7178-103.3000112.1I107 Y110 E116 Y117 N118 A122 I123 R124 E140I107-Y120 HydrophobicContact CD1-CD2 3.97Å; I107-Y120 HydrophobicContact CD1-CE2 4.41Å; Y110-Y120 AromaticContact CE1-CD2 3.97Å; Y110-Y120 HydrophobicContact CE1-CD2 3.97Å; Y110-Y120 HydrophobicContact CE1-CG 4.39Å; Y110-Y120 WeakPolarHBondContact OH-CD2 3.5Å; E116-Y120 WeakPolarHBondContact O-CB 3.29Å; E116-Y120 PolarHBondContact O-N 2.87Å; Y117-Y120 WeakPolarHBondContact O-CB 3.48Å; Y117-Y120 PolarHBondContact O-N 3.4Å; N118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-A122 PolarHBondContact O-N 3.05Å; Y120-I123 PolarHBondContact O-N 3Å; Y120-R124 VanDerWaalsContact CE1-CD 3.46Å; Y120-R124 HydrophobicContact CE1-CG 4.43Å; Y120-R124 HydrophobicContact CE2-CG 4.32Å; Y120-R124 WeakPolarHBondContact O-CG 3.49Å; Y120-R124 PolarHBondContact O-N 3.42Å; Y120-R124 VanDerWaalsContact OH-CD 3.3Å; Y120-R124 WeakPolarHBondContact OH-CD 3.23Å; Y120-R124 PolarHBondContact OH-NH1 3.48Å; Y120-E140 WeakPolarHBondContact CE2-OE1 3.19Å; Y120-E140 WeakPolarHBondContact CE2-OE2 3.35Å; Y120-E140 PolarHBondContact OH-OE2 2.71Å
121E95.4Very high94.6Very high60 Ų6054.1 Ų54.128%0.2825%0.253SS..Hα-helixtrans-63.3-39.9-180-78.5-64.3141.600112.3Y117 I123 R124 R125Y117-E121 HydrophobicContact CD2-CG 4.37Å; Y117-E121 HydrophobicContact CE1-CG 4.11Å; Y117-E121 HydrophobicContact CE2-CG 3.82Å; Y117-E121 WeakPolarHBondContact O-CB 3.3Å; Y117-E121 PolarHBondContact O-N 2.8Å; E121-I123 PolarHBondContact O-N 3.4Å; E121-R124 PolarHBondContact O-N 3.44Å; E121-R125 WeakPolarHBondContact O-CB 3.48Å; E121-R125 PolarHBondContact O-N 2.91Å
122A95.5Very high94.7Very high3 Ų356.8 Ų56.83%0.02528%0.281CS..Hα-helixtrans-59-48.5177.800000111.9N118 S119 Y120 R125 A126 I202 L212 F213N118-A122 VanDerWaalsContact O-CB 3.23Å; N118-A122 WeakPolarHBondContact O-CB 3.29Å; N118-A122 PolarHBondContact O-N 3.42Å; S119-A122 PolarHBondContact O-N 3.39Å; Y120-A122 PolarHBondContact O-N 3.05Å; A122-R125 PolarHBondContact O-N 2.95Å; A122-A126 PolarHBondContact O-N 3.3Å; A122-I202 HydrophobicContact CB-CD1 4.37Å; A122-L212 HydrophobicContact CB-CB 4.43Å; A122-L212 HydrophobicContact CB-CD2 4.01Å; A122-L212 HydrophobicContact CB-CG 4.17Å; A122-F213 HydrophobicContact CB-CB 4.04Å
123I97.1Very high94.9Very high1 Ų152.5 Ų52.51%0.00525%0.252CS..Hα-helixtrans-65.4-45.8179.5-66.9164.2000110.8I107 S119 Y120 E121 R125 A126 F127 I158 F160I107-I123 HydrophobicContact CD1-CB 4.01Å; I107-I123 HydrophobicContact CD1-CD1 4.09Å; I107-I123 HydrophobicContact CD1-CG2 3.78Å; I107-I123 HydrophobicContact CG1-CD1 4.35Å; I107-I123 HydrophobicContact CG1-CG2 4.1Å; I107-I123 HydrophobicContact CG2-CD1 4.06Å; S119-I123 WeakPolarHBondContact O-CG1 3.09Å; S119-I123 PolarHBondContact O-N 2.83Å; S119-I123 VanDerWaalsContact O-N 3.16Å; Y120-I123 PolarHBondContact O-N 3Å; E121-I123 PolarHBondContact O-N 3.4Å; I123-R125 VanDerWaalsContact C-N 3.29Å; I123-R125 PolarHBondContact O-N 3.41Å; I123-A126 WeakPolarHBondContact O-CB 2.77Å; I123-A126 PolarHBondContact O-N 3.16Å; I123-A126 VanDerWaalsContact O-N 3.12Å; I123-F127 HydrophobicContact CG2-CD2 4.15Å; I123-F127 HydrophobicContact CG2-CE2 3.92Å; I123-F127 WeakPolarHBondContact O-CD2 3.26Å; I123-F127 PolarHBondContact O-N 3.42Å; I123-F127 VanDerWaalsContact O-N 3.14Å; I123-I158 HydrophobicContact CD1-CG2 3.91Å; I123-I158 HydrophobicContact CG2-CD1 3.55Å; I123-F160 HydrophobicContact CD1-CE2 4.08Å; I123-F160 HydrophobicContact CD1-CZ 4.24Å
124R96.1Very high95.1Very high74 Ų7446.8 Ų46.828%0.27923%0.228SC..Hα-helixtrans-62.1-39.2178.4-70.9-16369.1172.68.3112.3Y120 E121 A126 F127 R128 E140Y120-R124 VanDerWaalsContact CE1-CD 3.46Å; Y120-R124 HydrophobicContact CE1-CG 4.43Å; Y120-R124 HydrophobicContact CE2-CG 4.32Å; Y120-R124 WeakPolarHBondContact O-CG 3.49Å; Y120-R124 PolarHBondContact O-N 3.42Å; Y120-R124 VanDerWaalsContact OH-CD 3.3Å; Y120-R124 WeakPolarHBondContact OH-CD 3.23Å; Y120-R124 PolarHBondContact OH-NH1 3.48Å; E121-R124 PolarHBondContact O-N 3.44Å; R124-A126 VanDerWaalsContact C-N 3.31Å; R124-F127 PolarHBondContact O-N 3.47Å; R124-R128 WeakPolarHBondContact O-CG 3.43Å; R124-R128 PolarHBondContact O-N 2.88Å; R124-E140 WeakPolarHBondContact CD-OE2 3.44Å; R124-E140 IonicContact CZ-OE2 3.12Å; R124-E140 IonicContact NE-OE2 2.66Å; R124-E140 IonicContact NH1-OE2 2.74Å
125R95.8Very high95.2Very high82 Ų8248.2 Ų48.231%0.30924%0.239SC..Hα-helixtrans-63.9-38.8175.7-167.5-174.1-178.4-161.82.4111.3E121 A122 I123 R128 V129 F213 T245 D246E121-R125 WeakPolarHBondContact O-CB 3.48Å; E121-R125 PolarHBondContact O-N 2.91Å; A122-R125 PolarHBondContact O-N 2.95Å; I123-R125 VanDerWaalsContact C-N 3.29Å; I123-R125 PolarHBondContact O-N 3.41Å; R125-R128 PolarHBondContact O-N 2.9Å; R125-V129 WeakPolarHBondContact O-CG2 3.48Å; R125-V129 PolarHBondContact O-N 3.32Å; R125-V129 VanDerWaalsContact O-N 3.14Å; R125-F213 HydrophobicContact CB-CD2 3.9Å; R125-F213 HydrophobicContact CB-CE2 3.9Å; R125-F213 HydrophobicContact CG-CD2 3.92Å; R125-F213 HydrophobicContact CG-CE2 3.52Å; R125-F213 HydrophobicContact CG-CZ 4.25Å; R125-T245 PolarHBondContact NH1-O 3.09Å; R125-T245 PolarHBondContact NH2-O 3.5Å; R125-D246 PolarHBondContact NH2-O 3.21Å
126A96.9Very high95.3Very high0 Ų047.2 Ų47.20%023%0.227CC..Hα-helixtrans-63.1-39.5176.300000112.7A122 I123 R124 V129 F213 A216 V217 L220A122-A126 PolarHBondContact O-N 3.3Å; I123-A126 WeakPolarHBondContact O-CB 2.77Å; I123-A126 PolarHBondContact O-N 3.16Å; I123-A126 VanDerWaalsContact O-N 3.12Å; R124-A126 VanDerWaalsContact C-N 3.31Å; A126-V129 WeakPolarHBondContact O-CB 3.06Å; A126-V129 PolarHBondContact O-N 3.39Å; A126-F213 HydrophobicContact CB-CD2 4.27Å; A126-F213 HydrophobicContact CB-CE2 4.45Å; A126-A216 HydrophobicContact CB-CB 3.74Å; A126-V217 HydrophobicContact CB-CG2 3.68Å; A126-L220 HydrophobicContact CB-CD1 3.76Å
127F97.1Very high95.5Very high4 Ų443.8 Ų43.82%0.01822%0.215CC..Hα-helixtrans-62-43.8171.8-82-72.2000112.8Y105 I123 R124 V129 W130 E131 F138 I156 I158 L220Y105-F127 HydrophobicContact CD1-CD1 4.45Å; Y105-F127 HydrophobicContact CD1-CD2 4.18Å; Y105-F127 HydrophobicContact CD1-CE1 4.18Å; Y105-F127 AromaticContact CD1-CE2 3.91Å; Y105-F127 HydrophobicContact CD1-CE2 3.91Å; Y105-F127 HydrophobicContact CD1-CG 4.43Å; Y105-F127 AromaticContact CD1-CZ 3.9Å; Y105-F127 HydrophobicContact CD1-CZ 3.9Å; Y105-F127 AromaticContact CD2-CD2 3.97Å; Y105-F127 HydrophobicContact CD2-CD2 3.97Å; Y105-F127 AromaticContact CD2-CE2 3.28Å; Y105-F127 HydrophobicContact CD2-CE2 3.28Å; Y105-F127 AromaticContact CD2-CZ 3.77Å; Y105-F127 HydrophobicContact CD2-CZ 3.77Å; Y105-F127 AromaticContact CE1-CD2 3.98Å; Y105-F127 HydrophobicContact CE1-CD2 3.98Å; Y105-F127 HydrophobicContact CE1-CE2 4.13Å; Y105-F127 HydrophobicContact CE1-CG 4.23Å; Y105-F127 AromaticContact CE2-CD2 3.74Å; Y105-F127 HydrophobicContact CE2-CD2 3.74Å; Y105-F127 AromaticContact CE2-CE2 3.53Å; Y105-F127 HydrophobicContact CE2-CE2 3.53Å; Y105-F127 HydrophobicContact CE2-CZ 4.39Å; Y105-F127 HydrophobicContact CG-CD2 4.16Å; Y105-F127 HydrophobicContact CG-CE1 4.18Å; Y105-F127 AromaticContact CG-CE2 3.47Å; Y105-F127 HydrophobicContact CG-CE2 3.47Å; Y105-F127 VanDerWaalsContact CG-CE2 3.47Å; Y105-F127 AromaticContact CG-CZ 3.47Å; Y105-F127 HydrophobicContact CG-CZ 3.47Å; Y105-F127 VanDerWaalsContact CG-CZ 3.47Å; Y105-F127 AromaticContact CZ-CD2 3.73Å; Y105-F127 AromaticContact CZ-CE2 3.94Å; I123-F127 HydrophobicContact CG2-CD2 4.15Å; I123-F127 HydrophobicContact CG2-CE2 3.92Å; I123-F127 WeakPolarHBondContact O-CD2 3.26Å; I123-F127 PolarHBondContact O-N 3.42Å; I123-F127 VanDerWaalsContact O-N 3.14Å; R124-F127 PolarHBondContact O-N 3.47Å; F127-V129 PolarHBondContact O-N 2.68Å; F127-W130 PolarHBondContact O-N 2.94Å; F127-W130 VanDerWaalsContact O-N 3.12Å; F127-E131 WeakPolarHBondContact O-CB 3.4Å; F127-E131 PolarHBondContact O-N 3.19Å; F127-F138 HydrophobicContact CB-CB 4.44Å; F127-F138 HydrophobicContact CB-CD2 4.42Å; F127-F138 HydrophobicContact CB-CG 4.41Å; F127-F138 HydrophobicContact CD1-CB 3.97Å; F127-F138 AromaticContact CD1-CD1 3.37Å; F127-F138 HydrophobicContact CD1-CD1 3.37Å; F127-F138 AromaticContact CD1-CD2 4Å; F127-F138 HydrophobicContact CD1-CD2 4Å; F127-F138 AromaticContact CD1-CE1 3.73Å; F127-F138 HydrophobicContact CD1-CE1 3.73Å; F127-F138 HydrophobicContact CD1-CE2 4.32Å; F127-F138 AromaticContact CD1-CG 3.5Å; F127-F138 HydrophobicContact CD1-CG 3.5Å; F127-F138 HydrophobicContact CD1-CZ 4.2Å; F127-F138 AromaticContact CE1-CD1 3.55Å; F127-F138 HydrophobicContact CE1-CD1 3.55Å; F127-F138 AromaticContact CE1-CE1 3.84Å; F127-F138 HydrophobicContact CE1-CE1 3.84Å; F127-F138 HydrophobicContact CE1-CG 4.14Å; F127-F138 HydrophobicContact CG-CB 4.38Å; F127-F138 HydrophobicContact CG-CD1 4.5Å; F127-F138 HydrophobicContact CG-CG 4.29Å; F127-I156 HydrophobicContact CE1-CD1 4.05Å; F127-I156 HydrophobicContact CZ-CD1 4.44Å; F127-I156 HydrophobicContact CZ-CG2 4.1Å; F127-I158 HydrophobicContact CE2-CD1 3.51Å; F127-I158 HydrophobicContact CZ-CD1 3.79Å; F127-L220 HydrophobicContact CD1-CD1 3.93Å; F127-L220 HydrophobicContact CD1-CD2 4.48Å; F127-L220 HydrophobicContact CD2-CD1 3.87Å; F127-L220 HydrophobicContact CE1-CD1 3.98Å; F127-L220 HydrophobicContact CE1-CD2 3.72Å; F127-L220 HydrophobicContact CE1-CG 4.47Å; F127-L220 HydrophobicContact CE2-CD1 3.9Å; F127-L220 HydrophobicContact CE2-CD2 4.09Å; F127-L220 HydrophobicContact CG-CD1 3.89Å; F127-L220 HydrophobicContact CZ-CD1 3.97Å; F127-L220 HydrophobicContact CZ-CD2 3.49Å; F127-L220 VanDerWaalsContact CZ-CD2 3.49Å; F127-L220 HydrophobicContact CZ-CG 4.4Å
128R95.7Very high95.6Very high130 Ų13037.1 Ų37.149%0.49119%0.189SC..Hα-helixtrans-60.2-33178.8-71.6177.6-176.9154.54.8112.8R124 R125 G132R124-R128 WeakPolarHBondContact O-CG 3.43Å; R124-R128 PolarHBondContact O-N 2.88Å; R125-R128 PolarHBondContact O-N 2.9Å; R128-G132 PolarHBondContact O-N 3.37Å
129V95.9Very high95.7Very high28 Ų2838.3 Ų38.317%0.1720%0.195CC..Hα-helixtrans-59.5-47175.7163.40000110.7R125 A126 F127 F213 V217 F248 L250R125-V129 WeakPolarHBondContact O-CG2 3.48Å; R125-V129 PolarHBondContact O-N 3.32Å; R125-V129 VanDerWaalsContact O-N 3.14Å; A126-V129 WeakPolarHBondContact O-CB 3.06Å; A126-V129 PolarHBondContact O-N 3.39Å; F127-V129 PolarHBondContact O-N 2.68Å; V129-F213 HydrophobicContact CG2-CE2 3.95Å; V129-F213 HydrophobicContact CG2-CZ 3.88Å; V129-V217 HydrophobicContact CB-CG2 4.39Å; V129-V217 HydrophobicContact CG1-CG1 4.05Å; V129-V217 HydrophobicContact CG1-CG2 4.37Å; V129-V217 HydrophobicContact CG2-CG2 4.31Å; V129-F248 HydrophobicContact CG1-CD1 4.3Å; V129-F248 HydrophobicContact CG1-CE1 3.88Å; V129-F248 HydrophobicContact CG2-CD1 3.98Å; V129-F248 HydrophobicContact CG2-CE1 4.31Å; V129-L250 HydrophobicContact CG1-CD1 3.27Å; V129-L250 HydrophobicContact CG1-CG 4.49Å
130W96.2Very high95.7Very high0 Ų040.9 Ų40.90%021%0.207CC..Hα-helixtrans-74.7-38.5178.6-66.9115.2000113F127 G132 V133 T134 F138 V217 L224 L226 M236 L250 D254 I258F127-W130 PolarHBondContact O-N 2.94Å; F127-W130 VanDerWaalsContact O-N 3.12Å; W130-G132 VanDerWaalsContact C-N 3.3Å; W130-G132 PolarHBondContact O-N 3Å; W130-V133 HydrophobicContact CE3-CG2 4.37Å; W130-V133 PolarHBondContact O-N 3.09Å; W130-T134 WeakPolarHBondContact O-CB 3.42Å; W130-T134 WeakPolarHBondContact O-CG2 3.33Å; W130-T134 PolarHBondContact O-N 3.09Å; W130-T134 PolarHBondContact O-OG1 2.67Å; W130-F138 HydrophobicContact CB-CE2 4.42Å; W130-V217 HydrophobicContact CZ2-CG1 4.13Å; W130-V217 WeakPolarHBondContact CZ2-O 3.36Å; W130-V217 PolarHBondContact NE1-O 2.89Å; W130-L224 HydrophobicContact CB-CD1 3.67Å; W130-L224 HydrophobicContact CD2-CD1 3.96Å; W130-L224 HydrophobicContact CE3-CD1 4.44Å; W130-L224 HydrophobicContact CG-CD1 3.61Å; W130-L226 HydrophobicContact CH2-CD1 3.34Å; W130-L226 HydrophobicContact CZ2-CD1 4.18Å; W130-L226 HydrophobicContact CZ3-CD1 3.71Å; W130-M236 HydrophobicContact CZ2-SD 4.38Å; W130-L250 HydrophobicContact CD2-CD1 4.39Å; W130-L250 HydrophobicContact CE3-CD1 4.17Å; W130-L250 HydrophobicContact CE3-CD2 4.07Å; W130-L250 HydrophobicContact CH2-CD1 3.85Å; W130-L250 HydrophobicContact CH2-CD2 3.84Å; W130-L250 HydrophobicContact CH2-CG 4.39Å; W130-L250 HydrophobicContact CZ2-CD1 4.06Å; W130-L250 HydrophobicContact CZ3-CD1 3.91Å; W130-L250 HydrophobicContact CZ3-CD2 3.4Å; W130-L250 VanDerWaalsContact CZ3-CD2 3.4Å; W130-L250 HydrophobicContact CZ3-CG 4.3Å; W130-D254 HydrophobicContact CH2-CB 4.34Å; W130-I258 HydrophobicContact CE3-CB 4.11Å; W130-I258 HydrophobicContact CE3-CD1 4.35Å; W130-I258 HydrophobicContact CE3-CG1 3.86Å; W130-I258 HydrophobicContact CE3-CG2 4.07Å; W130-I258 HydrophobicContact CZ3-CB 3.74Å; W130-I258 HydrophobicContact CZ3-CD1 4.35Å; W130-I258 HydrophobicContact CZ3-CG1 3.95Å; W130-I258 HydrophobicContact CZ3-CG2 3.83Å
131E95.3Very high95.6Very high72 Ų7239.3 Ų39.334%0.33620%0.202SC..Hα-helixtrans-58.3-41174.3-171.7167.9-133.800111.8F127 V133 T137 F138F127-E131 WeakPolarHBondContact O-CB 3.4Å; F127-E131 PolarHBondContact O-N 3.19Å; E131-V133 PolarHBondContact O-N 3.02Å; E131-T137 WeakPolarHBondContact OE1-CA 3.5Å; E131-F138 HydrophobicContact CB-CD2 3.96Å; E131-F138 HydrophobicContact CB-CE2 4.11Å; E131-F138 HydrophobicContact CG-CD2 4.42Å; E131-F138 PolarHBondContact OE1-N 3.25Å
132G94.3Very high95.5Very high57 Ų5739.3 Ų39.359%0.58821%0.207SC*.THydrogen-bonded Turntrans-66.7-18.9-17900000115.2R128 W130R128-G132 PolarHBondContact O-N 3.37Å; W130-G132 VanDerWaalsContact C-N 3.3Å; W130-G132 PolarHBondContact O-N 3Å
133V94.4Very high95.1Very high25 Ų2542.4 Ų42.415%0.15222%0.219CC..THydrogen-bonded Turntrans-117.10.5-175.8-59.10000114.2W130 E131 L250 R255 I258 Q259 P265W130-V133 HydrophobicContact CE3-CG2 4.37Å; W130-V133 PolarHBondContact O-N 3.09Å; E131-V133 PolarHBondContact O-N 3.02Å; V133-L250 HydrophobicContact CG2-CD2 4.33Å; V133-R255 HydrophobicContact CB-CG 4.26Å; V133-R255 HydrophobicContact CG1-CG 4.3Å; V133-I258 HydrophobicContact CG2-CG2 3.98Å; V133-Q259 WeakPolarHBondContact O-CG 3.28Å; V133-Q259 PolarHBondContact O-NE2 2.81Å; V133-P265 VanDerWaalsContact C-CG 3.46Å; V133-P265 WeakPolarHBondContact O-CD 3.33Å
134T94.8Very high94.5Very high3 Ų349.1 Ų49.12%0.01825%0.25CS..SBendtrans-129.6167.5177.764.90000111.4W130 L136 I258W130-T134 WeakPolarHBondContact O-CB 3.42Å; W130-T134 WeakPolarHBondContact O-CG2 3.33Å; W130-T134 PolarHBondContact O-N 3.09Å; W130-T134 PolarHBondContact O-OG1 2.67Å; T134-L136 PolarHBondContact O-N 2.73Å; T134-L136 WeakPolarHBondContact OG1-CB 3.33Å; T134-L136 PolarHBondContact OG1-N 3.03Å; T134-I258 HydrophobicContact CG2-CB 4.27Å; T134-I258 HydrophobicContact CG2-CG1 3.44Å; T134-I258 VanDerWaalsContact CG2-CG1 3.44Å; T134-I258 HydrophobicContact CG2-CG2 3.84Å
135P94.8Very high94Very high54 Ų5448.3 Ų48.335%0.35125%0.25SC..SBendtrans-82.211.2167.434.1-37.1000113.2Y262 G263P135-Y262 WeakPolarHBondContact CD-O 3.38Å; P135-Y262 WeakPolarHBondContact CG-O 3.3Å; P135-G263 WeakPolarHBondContact CD-O 2.98Å
136L95.3Very high93.5Very high4 Ų445.8 Ų45.82%0.02124%0.242CC..  trans-75152.9178.3-62.2179.2000110.6S101 L103 T134 F138 L224 Y262S101-L136 CarbonylContact O-C 3.53Å; S101-L136 VanDerWaalsContact O-CA 3.27Å; S101-L136 WeakPolarHBondContact O-CA 3.14Å; L103-L136 HydrophobicContact CD1-CD1 4.31Å; T134-L136 PolarHBondContact O-N 2.73Å; T134-L136 WeakPolarHBondContact OG1-CB 3.33Å; T134-L136 PolarHBondContact OG1-N 3.03Å; L136-F138 HydrophobicContact CB-CE2 3.94Å; L136-F138 HydrophobicContact CB-CZ 3.95Å; L136-F138 HydrophobicContact CD1-CZ 3.99Å; L136-L224 HydrophobicContact CD1-CD1 4.39Å; L136-L224 HydrophobicContact CD1-CD2 3.64Å; L136-Y262 HydrophobicContact CD1-CD1 3.98Å; L136-Y262 HydrophobicContact CD1-CD2 3.87Å; L136-Y262 HydrophobicContact CD1-CE1 4.03Å; L136-Y262 HydrophobicContact CD1-CE2 3.92Å; L136-Y262 HydrophobicContact CD1-CG 3.91Å; L136-Y262 HydrophobicContact CD2-CD1 3.6Å; L136-Y262 HydrophobicContact CD2-CE1 3.9Å; L136-Y262 HydrophobicContact CD2-CG 4.15Å; L136-Y262 HydrophobicContact CG-CD1 4Å; L136-Y262 HydrophobicContact CG-CD2 4.47Å; L136-Y262 HydrophobicContact CG-CE1 4.42Å; L136-Y262 HydrophobicContact CG-CG 4.03Å
137T96.1Very high92.5Very high55 Ų5552.4 Ų52.434%0.33727%0.271SS..EExtended strand (participates in β ladder)trans-129.9142.4172.850.70000109.2S101 H102 L103 E131S101-T137 PolarHBondContact O-N 3.45Å; S101-T137 PolarHBondContact O-OG1 3.35Å; H102-T137 WeakPolarHBondContact CA-OG1 3.15Å; H102-T137 PolarHBondContact ND1-OG1 3.28Å; L103-T137 PolarHBondContact N-O 2.79Å; E131-T137 WeakPolarHBondContact OE1-CA 3.5Å
138F96.9Very high91.6Very high17 Ų1759.4 Ų59.48%0.07530%0.298CS..EExtended strand (participates in β ladder)trans-124.6115.6-174.4-59.8-84.5000112.3L103 Y105 F127 W130 E131 L136 L224L103-F138 HydrophobicContact CB-CD1 3.89Å; L103-F138 HydrophobicContact CB-CE1 4.07Å; L103-F138 HydrophobicContact CD1-CD1 4.4Å; L103-F138 HydrophobicContact CD1-CE1 3.7Å; L103-F138 HydrophobicContact CD1-CZ 4.41Å; L103-F138 HydrophobicContact CG-CE1 4.45Å; L103-F138 WeakPolarHBondContact O-CA 3.15Å; Y105-F138 HydrophobicContact CD1-CB 4.08Å; Y105-F138 HydrophobicContact CE1-CB 4.01Å; F127-F138 HydrophobicContact CB-CB 4.44Å; F127-F138 HydrophobicContact CB-CD2 4.42Å; F127-F138 HydrophobicContact CB-CG 4.41Å; F127-F138 HydrophobicContact CD1-CB 3.97Å; F127-F138 AromaticContact CD1-CD1 3.37Å; F127-F138 HydrophobicContact CD1-CD1 3.37Å; F127-F138 AromaticContact CD1-CD2 4Å; F127-F138 HydrophobicContact CD1-CD2 4Å; F127-F138 AromaticContact CD1-CE1 3.73Å; F127-F138 HydrophobicContact CD1-CE1 3.73Å; F127-F138 HydrophobicContact CD1-CE2 4.32Å; F127-F138 AromaticContact CD1-CG 3.5Å; F127-F138 HydrophobicContact CD1-CG 3.5Å; F127-F138 HydrophobicContact CD1-CZ 4.2Å; F127-F138 AromaticContact CE1-CD1 3.55Å; F127-F138 HydrophobicContact CE1-CD1 3.55Å; F127-F138 AromaticContact CE1-CE1 3.84Å; F127-F138 HydrophobicContact CE1-CE1 3.84Å; F127-F138 HydrophobicContact CE1-CG 4.14Å; F127-F138 HydrophobicContact CG-CB 4.38Å; F127-F138 HydrophobicContact CG-CD1 4.5Å; F127-F138 HydrophobicContact CG-CG 4.29Å; W130-F138 HydrophobicContact CB-CE2 4.42Å; E131-F138 HydrophobicContact CB-CD2 3.96Å; E131-F138 HydrophobicContact CB-CE2 4.11Å; E131-F138 HydrophobicContact CG-CD2 4.42Å; E131-F138 PolarHBondContact OE1-N 3.25Å; L136-F138 HydrophobicContact CB-CE2 3.94Å; L136-F138 HydrophobicContact CB-CZ 3.95Å; L136-F138 HydrophobicContact CD1-CZ 3.99Å; F138-L224 HydrophobicContact CE1-CD2 3.95Å; F138-L224 HydrophobicContact CZ-CD1 4.1Å; F138-L224 HydrophobicContact CZ-CD2 3.86Å
139D95.7Very high90.8Very high84 Ų8456.2 Ų56.245%0.44931%0.306SS..EExtended strand (participates in β ladder)trans-104.4124.4177.2-83.95.5000111.3H102 L103 T104 Y105H102-D139 IonicContact CE1-OD1 3.66Å; H102-D139 IonicContact CE1-OD2 3.83Å; H102-D139 PolarHBondContact CE1-OD2 3.12Å; H102-D139 IonicContact NE2-OD2 2.79Å; H102-D139 PolarHBondContact NE2-OD2 3.26Å; L103-D139 PolarHBondContact O-N 2.85Å; T104-D139 CarbonylContact C-O 3.54Å; T104-D139 VanDerWaalsContact CA-O 3.24Å; T104-D139 WeakPolarHBondContact CA-O 3.17Å; T104-D139 HydrophobicContact CG2-CB 4.29Å; Y105-D139 PolarHBondContact N-O 3.2Å
140E95.3Very high90.1Very high54 Ų5464.1 Ų64.125%0.25233%0.333SS..EExtended strand (participates in β ladder)trans-79.7127175.8-165.7-167.8149.200110.7Y105 Y120 R124Y105-E140 HydrophobicContact CD2-CG 4.28Å; Y105-E140 HydrophobicContact CE1-CB 3.84Å; Y105-E140 HydrophobicContact CE1-CG 4.42Å; Y105-E140 HydrophobicContact CE2-CB 4.03Å; Y105-E140 HydrophobicContact CE2-CG 3.7Å; Y105-E140 CarbonylContact O-C 3.57Å; Y105-E140 WeakPolarHBondContact O-CA 3.33Å; Y120-E140 WeakPolarHBondContact CE2-OE1 3.19Å; Y120-E140 WeakPolarHBondContact CE2-OE2 3.35Å; Y120-E140 PolarHBondContact OH-OE2 2.71Å; R124-E140 WeakPolarHBondContact CD-OE2 3.44Å; R124-E140 IonicContact CZ-OE2 3.12Å; R124-E140 IonicContact NE-OE2 2.66Å; R124-E140 IonicContact NH1-OE2 2.74Å
141I93.6Very high89.3Confident18 Ų1871.3 Ų71.39%0.09236%0.36CS..  trans-104.2123.1169.9-58176.1000108.3T104 Y105 S106 Y143 E145 I146 R151T104-I141 HydrophobicContact CG2-CD1 3.91Å; T104-I141 HydrophobicContact CG2-CG1 4.38Å; Y105-I141 PolarHBondContact O-N 3.29Å; S106-I141 VanDerWaalsContact CB-O 3.25Å; S106-I141 WeakPolarHBondContact CB-O 3.37Å; S106-I141 PolarHBondContact OG-O 2.86Å; I141-Y143 PolarHBondContact O-N 3.27Å; I141-E145 HydrophobicContact CG2-CB 4.39Å; I141-I146 HydrophobicContact CB-CD1 4.29Å; I141-I146 HydrophobicContact CG2-CD1 3.93Å; I141-I146 HydrophobicContact CG2-CG1 3.97Å; I141-R151 HydrophobicContact CG2-CB 4.38Å
142P92.1Very high88.5Confident60 Ų6076.8 Ų76.839%0.3938%0.383SS..  trans-58.6129.5175.7-24.333.7000111.6Q144 E145P142-Q144 PolarHBondContact O-N 3.27Å; P142-E145 HydrophobicContact CB-CG 4.49Å; P142-E145 WeakPolarHBondContact O-CB 3.33Å; P142-E145 PolarHBondContact O-N 3.5Å
143Y88.4Confident87.8Confident68 Ų6878.7 Ų78.727%0.26738%0.377SS..Hα-helixtrans-56.3-30.6-176.2178.2-111.4000113.7S106 I107 Q108 I141 E145 I146 K147S106-Y143 WeakPolarHBondContact OG-CA 3.48Å; S106-Y143 PolarHBondContact OG-N 3.42Å; I107-Y143 WeakPolarHBondContact O-CB 3.34Å; Q108-Y143 HydrophobicContact CB-CD2 4.01Å; Q108-Y143 HydrophobicContact CB-CE2 4.03Å; Q108-Y143 HydrophobicContact CB-CG 4.33Å; Q108-Y143 HydrophobicContact CG-CD1 4.25Å; Q108-Y143 HydrophobicContact CG-CD2 4.1Å; Q108-Y143 HydrophobicContact CG-CE1 3.85Å; Q108-Y143 HydrophobicContact CG-CE2 3.68Å; Q108-Y143 HydrophobicContact CG-CG 4.38Å; Q108-Y143 PolarHBondContact NE2-OH 3.4Å; I141-Y143 PolarHBondContact O-N 3.27Å; Y143-E145 VanDerWaalsContact C-N 3.27Å; Y143-E145 PolarHBondContact O-N 3.3Å; Y143-I146 PolarHBondContact O-N 3.41Å; Y143-I146 VanDerWaalsContact O-N 3.15Å; Y143-K147 HydrophobicContact CE1-CB 4.24Å; Y143-K147 HydrophobicContact CE1-CD 4.11Å; Y143-K147 WeakPolarHBondContact O-CB 3.49Å; Y143-K147 PolarHBondContact O-N 3.03Å
144Q84.5Confident87.6Confident142 Ų14278.2 Ų78.266%0.66437%0.374SS*.Hα-helixtrans-58.8-37.6175.7-63.7-178-3.700112.3P142 I146 K147 Y148P142-Q144 PolarHBondContact O-N 3.27Å; Q144-I146 VanDerWaalsContact C-N 3.3Å; Q144-I146 PolarHBondContact O-N 3.18Å; Q144-K147 PolarHBondContact O-N 3.5Å; Q144-Y148 HydrophobicContact CB-CD2 4.45Å; Q144-Y148 HydrophobicContact CB-CE2 4.34Å; Q144-Y148 WeakPolarHBondContact O-CD2 3.45Å; Q144-Y148 PolarHBondContact O-N 3.22Å; Q144-Y148 VanDerWaalsContact O-N 3.12Å
145E85.4Confident87.3Confident58 Ų5879.3 Ų79.327%0.27138%0.379SS..Hα-helixtrans-66.6-33.9178.6-67.3-173.3-153.300112.2I141 P142 Y143 G149 R150 R151I141-E145 HydrophobicContact CG2-CB 4.39Å; P142-E145 HydrophobicContact CB-CG 4.49Å; P142-E145 WeakPolarHBondContact O-CB 3.33Å; P142-E145 PolarHBondContact O-N 3.5Å; Y143-E145 VanDerWaalsContact C-N 3.27Å; Y143-E145 PolarHBondContact O-N 3.3Å; E145-G149 PolarHBondContact O-N 3.43Å; E145-R150 HydrophobicContact CB-CB 4.46Å; E145-R150 WeakPolarHBondContact O-CB 3.39Å; E145-R150 PolarHBondContact O-N 3.04Å; E145-R151 HydrophobicContact CB-CB 4.49Å; E145-R151 HydrophobicContact CB-CG 4.28Å; E145-R151 PolarHBondContact O-N 3.37Å; E145-R151 WeakPolarHBondContact OE2-CD 3.43Å; E145-R151 WeakPolarHBondContact OE2-CG 3.13Å; E145-R151 IonicContact OE2-CZ 2.81Å; E145-R151 IonicContact OE2-NE 3.76Å; E145-R151 PolarHBondContact OE2-NE 2.85Å
146I85Confident87.4Confident29 Ų2976.8 Ų76.815%0.14936%0.363CS..Hα-helixtrans-73.8-47.5176.2-62.6154000109.8S106 I141 Y143 Q144 Y148 G149 P154S106-I146 VanDerWaalsContact OG-CD1 3.28Å; S106-I146 WeakPolarHBondContact OG-CD1 3.23Å; I141-I146 HydrophobicContact CB-CD1 4.29Å; I141-I146 HydrophobicContact CG2-CD1 3.93Å; I141-I146 HydrophobicContact CG2-CG1 3.97Å; Y143-I146 PolarHBondContact O-N 3.41Å; Y143-I146 VanDerWaalsContact O-N 3.15Å; Q144-I146 VanDerWaalsContact C-N 3.3Å; Q144-I146 PolarHBondContact O-N 3.18Å; I146-Y148 VanDerWaalsContact C-N 3.25Å; I146-Y148 PolarHBondContact O-N 3.38Å; I146-G149 PolarHBondContact O-N 2.94Å; I146-P154 HydrophobicContact CD1-CG 3.99Å
147K76.3Confident87.3Confident138 Ų13878.7 Ų78.760%0.637%0.373SS*.Hα-helixtrans-57.8-35.6-179.7-175.2177.6-179.4177.60113.2Y143 Q144 G149Y143-K147 HydrophobicContact CE1-CB 4.24Å; Y143-K147 HydrophobicContact CE1-CD 4.11Å; Y143-K147 WeakPolarHBondContact O-CB 3.49Å; Y143-K147 PolarHBondContact O-N 3.03Å; Q144-K147 PolarHBondContact O-N 3.5Å; K147-G149 VanDerWaalsContact C-N 3.35Å
148Y78.1Confident87.3Confident151 Ų15176.1 Ų76.159%0.59236%0.357SS*.THydrogen-bonded Turntrans-91.58.2177.2-63.1-61.4000113.8Q144 I146 R150Q144-Y148 HydrophobicContact CB-CD2 4.45Å; Q144-Y148 HydrophobicContact CB-CE2 4.34Å; Q144-Y148 WeakPolarHBondContact O-CD2 3.45Å; Q144-Y148 PolarHBondContact O-N 3.22Å; Q144-Y148 VanDerWaalsContact O-N 3.12Å; I146-Y148 VanDerWaalsContact C-N 3.25Å; I146-Y148 PolarHBondContact O-N 3.38Å; Y148-R150 PolarHBondContact O-N 3.16Å
149G77.8Confident87.2Confident64 Ų6476.2 Ų76.266%0.6636%0.357SS*.THydrogen-bonded Turntrans65.223.1177.600000114.4E145 I146 K147E145-G149 PolarHBondContact O-N 3.43Å; I146-G149 PolarHBondContact O-N 2.94Å; K147-G149 VanDerWaalsContact C-N 3.35Å
150R80.9Confident87.2Confident194 Ų19472.5 Ų72.573%0.73234%0.337SS*.SBendtrans-81.3-25.6179.5-64.3-178178.4163.40.1112.4E145 Y148E145-R150 HydrophobicContact CB-CB 4.46Å; E145-R150 WeakPolarHBondContact O-CB 3.39Å; E145-R150 PolarHBondContact O-N 3.04Å; Y148-R150 PolarHBondContact O-N 3.16Å
151R79.3Confident86.9Confident150 Ų15070.9 Ų70.957%0.56633%0.333SS*.SBendtrans-128.7160.5172.3-69-149.8-172.3-143.40.8111.1I141 E145I141-R151 HydrophobicContact CG2-CB 4.38Å; E145-R151 HydrophobicContact CB-CB 4.49Å; E145-R151 HydrophobicContact CB-CG 4.28Å; E145-R151 PolarHBondContact O-N 3.37Å; E145-R151 WeakPolarHBondContact OE2-CD 3.43Å; E145-R151 WeakPolarHBondContact OE2-CG 3.13Å; E145-R151 IonicContact OE2-CZ 2.81Å; E145-R151 IonicContact OE2-NE 3.76Å; E145-R151 PolarHBondContact OE2-NE 2.85Å
152K79Confident86.5Confident187 Ų18772.6 Ų72.681%0.81335%0.346SS*.PPolyproline II helixtrans-67.7158.5171.1-64.6-175.2178.4-176.20110.1
153E79.6Confident86Confident98 Ų9870.6 Ų70.646%0.45834%0.336SS..PPolyproline II helixtrans-56.4143173.9-66-174.4152.200111.2
154P89.7Confident85.3Confident15 Ų1568.8 Ų68.810%0.09733%0.33CS..PPolyproline II helixtrans-72.5167.8177.734.6-36.2000110.8T104 I146 I156 M157T104-P154 WeakPolarHBondContact OG1-CA 3.48Å; I146-P154 HydrophobicContact CD1-CG 3.99Å; P154-I156 VanDerWaalsContact C-N 3.35Å; P154-M157 HydrophobicContact CG-CB 4.38Å; P154-M157 HydrophobicContact CG-CG 4.48Å
155D90.4Very high84.9Confident25 Ų2563.2 Ų63.213%0.13430%0.304CS..SBendtrans-73.6-30.1172.3-59.7-55.3000112.8W98 K100 L103 T104 G189W98-D155 HydrophobicContact CH2-CB 3.98Å; W98-D155 HydrophobicContact CZ2-CB 4.33Å; W98-D155 HydrophobicContact CZ3-CB 4.3Å; K100-D155 WeakPolarHBondContact CE-OD1 3.45Å; K100-D155 WeakPolarHBondContact CE-OD2 3.38Å; K100-D155 IonicContact NZ-OD1 3.78Å; K100-D155 PolarHBondContact NZ-OD1 3.02Å; K100-D155 IonicContact NZ-OD2 2.81Å; K100-D155 PolarHBondContact NZ-OD2 3.47Å; L103-D155 WeakPolarHBondContact CA-OD2 3.22Å; L103-D155 HydrophobicContact CD2-CB 4.22Å; T104-D155 PolarHBondContact N-OD2 3.48Å; T104-D155 WeakPolarHBondContact O-CA 3.39Å; T104-D155 WeakPolarHBondContact O-CB 3.37Å; T104-D155 PolarHBondContact O-N 3.14Å; T104-D155 PolarHBondContact OG1-N 2.94Å; T104-D155 PolarHBondContact OG1-OD2 3.02Å; D155-G189 VanDerWaalsContact O-O 3.14Å
156I95Very high83.9Confident1 Ų161.1 Ų61.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-131.3109.9-177.9-64.2168.7000108.2W98 T104 Y105 S106 F127 P154 I158 G190 L220 A223W98-I156 HydrophobicContact CZ2-CG1 4.37Å; T104-I156 PolarHBondContact O-N 3.17Å; T104-I156 VanDerWaalsContact O-N 3.08Å; Y105-I156 CarbonylContact C-O 3.52Å; Y105-I156 WeakPolarHBondContact CA-O 3.19Å; Y105-I156 WeakPolarHBondContact CB-O 3.15Å; S106-I156 PolarHBondContact N-O 3.33Å; F127-I156 HydrophobicContact CE1-CD1 4.05Å; F127-I156 HydrophobicContact CZ-CD1 4.44Å; F127-I156 HydrophobicContact CZ-CG2 4.1Å; P154-I156 VanDerWaalsContact C-N 3.35Å; I156-I158 HydrophobicContact CG2-CD1 4.21Å; I156-I158 HydrophobicContact CG2-CG1 3.91Å; I156-G190 WeakPolarHBondContact CG2-O 3.27Å; I156-L220 HydrophobicContact CG2-CD2 4.3Å; I156-A223 HydrophobicContact CD1-CB 4.25Å
157M93.8Very high83.1Confident45 Ų4559.8 Ų59.822%0.22229%0.291CS..EExtended strand (participates in β ladder)trans-95.4132.7172.1-152.7-111.4-57.600110Q108 P154 F159 D191 T192Q108-M157 HydrophobicContact CB-SD 4.17Å; Q108-M157 PolarHBondContact OE1-SD 3.37Å; P154-M157 HydrophobicContact CG-CB 4.38Å; P154-M157 HydrophobicContact CG-CG 4.48Å; M157-F159 HydrophobicContact CE-CD1 3.85Å; M157-F159 HydrophobicContact CE-CE1 3.72Å; M157-F159 HydrophobicContact SD-CD1 3.52Å; M157-F159 VanDerWaalsContact SD-CD1 3.52Å; M157-F159 HydrophobicContact SD-CE1 4.05Å; M157-F159 HydrophobicContact SD-CG 4.48Å; M157-D191 WeakPolarHBondContact CA-OD1 3.43Å; M157-D191 WeakPolarHBondContact CB-OD1 3.31Å; M157-D191 PolarHBondContact N-OD1 2.85Å; M157-D191 WeakPolarHBondContact O-CA 3.48Å; M157-T192 PolarHBondContact O-N 2.72Å
158I96.6Very high82.6Confident1 Ų153.4 Ų53.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-121.5128.2-176.3-58.2178.8000110Y105 S106 Q108 I123 F127 I156 T192 F194 L220Y105-I158 HydrophobicContact CD2-CD1 4.35Å; S106-I158 PolarHBondContact O-N 3.35Å; Q108-I158 WeakPolarHBondContact CB-O 3.44Å; Q108-I158 PolarHBondContact N-O 3.37Å; I123-I158 HydrophobicContact CD1-CG2 3.91Å; I123-I158 HydrophobicContact CG2-CD1 3.55Å; F127-I158 HydrophobicContact CE2-CD1 3.51Å; F127-I158 HydrophobicContact CZ-CD1 3.79Å; I156-I158 HydrophobicContact CG2-CD1 4.21Å; I156-I158 HydrophobicContact CG2-CG1 3.91Å; I158-T192 WeakPolarHBondContact CA-O 3.06Å; I158-F194 HydrophobicContact CG2-CD2 4.01Å; I158-F194 HydrophobicContact CG2-CE2 3.6Å; I158-L220 HydrophobicContact CD1-CD2 4.35Å
159F94.9Very high82.2Confident18 Ų1847.3 Ų47.38%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-154162.317667.9-93.5000113.7Q108 N109 M157 A161 H165 T192 H193 F194Q108-F159 HydrophobicContact CB-CB 3.77Å; Q108-F159 HydrophobicContact CG-CB 4.3Å; Q108-F159 VanDerWaalsContact OE1-CB 3.26Å; N109-F159 VanDerWaalsContact OD1-CA 3.26Å; N109-F159 WeakPolarHBondContact OD1-CA 3.42Å; N109-F159 VanDerWaalsContact OD1-CB 3.3Å; N109-F159 WeakPolarHBondContact OD1-CB 3.39Å; M157-F159 HydrophobicContact CE-CD1 3.85Å; M157-F159 HydrophobicContact CE-CE1 3.72Å; M157-F159 HydrophobicContact SD-CD1 3.52Å; M157-F159 VanDerWaalsContact SD-CD1 3.52Å; M157-F159 HydrophobicContact SD-CE1 4.05Å; M157-F159 HydrophobicContact SD-CG 4.48Å; F159-A161 HydrophobicContact CD2-CB 3.92Å; F159-A161 HydrophobicContact CE2-CB 3.82Å; F159-H165 HydrophobicContact CE2-CB 4.09Å; F159-H165 AromaticContact CE2-CD2 3.74Å; F159-H165 AromaticContact CZ-CD2 3.91Å; F159-T192 PolarHBondContact N-O 3.35Å; F159-H193 AromaticContact CD1-CD2 3.63Å; F159-H193 AromaticContact CE1-CD2 3.05Å; F159-H193 WeakPolarHBondContact CE1-CD2 3.16Å; F159-H193 AromaticContact CE1-CE1 3.73Å; F159-H193 AromaticContact CE1-CG 3.8Å; F159-H193 AromaticContact CE1-NE2 3.04Å; F159-H193 WeakPolarHBondContact CE1-NE2 3.46Å; F159-H193 HydrophobicContact CE2-CB 4.42Å; F159-H193 HydrophobicContact CZ-CB 4.42Å; F159-H193 AromaticContact CZ-CD2 3.3Å; F159-H193 WeakPolarHBondContact CZ-CD2 3.27Å; F159-H193 AromaticContact CZ-CE1 3.49Å; F159-H193 VanDerWaalsContact CZ-CE1 3.49Å; F159-H193 WeakPolarHBondContact CZ-CE1 3.33Å; F159-H193 AromaticContact CZ-CG 3.54Å; F159-H193 AromaticContact CZ-ND1 3.61Å; F159-H193 AromaticContact CZ-NE2 3.31Å; F159-H193 VanDerWaalsContact CZ-NE2 3.31Å; F159-H193 WeakPolarHBondContact CZ-NE2 3.22Å; F159-H193 WeakPolarHBondContact O-CA 3.39Å; F159-F194 PolarHBondContact O-N 3.48Å
160F94.9Very high82Confident7 Ų744.6 Ų44.63%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-105.8131.2174.4-62.9-97.4000109.1N109 T111 I123 F194 A196 L212N109-F160 PolarHBondContact ND2-O 3.28Å; N109-F160 WeakPolarHBondContact O-CD2 3.42Å; N109-F160 PolarHBondContact OD1-N 2.92Å; T111-F160 HydrophobicContact CG2-CD1 4.18Å; T111-F160 HydrophobicContact CG2-CE1 3.71Å; T111-F160 HydrophobicContact CG2-CZ 4.03Å; I123-F160 HydrophobicContact CD1-CE2 4.08Å; I123-F160 HydrophobicContact CD1-CZ 4.24Å; F160-F194 VanDerWaalsContact CA-O 3.29Å; F160-F194 WeakPolarHBondContact CA-O 3.46Å; F160-F194 HydrophobicContact CD1-CB 3.46Å; F160-F194 VanDerWaalsContact CD1-CB 3.46Å; F160-F194 HydrophobicContact CD1-CG 4.28Å; F160-F194 HydrophobicContact CE1-CB 3.55Å; F160-F194 HydrophobicContact CE1-CD2 4.26Å; F160-F194 AromaticContact CE1-CG 3.91Å; F160-F194 HydrophobicContact CE1-CG 3.91Å; F160-F194 HydrophobicContact CG-CB 4.18Å; F160-F194 HydrophobicContact CZ-CB 4.32Å; F160-F194 HydrophobicContact CZ-CD2 4.21Å; F160-F194 HydrophobicContact CZ-CG 4.29Å; F160-A196 HydrophobicContact CB-CB 4.16Å; F160-L212 HydrophobicContact CE1-CD1 3.74Å; F160-L212 HydrophobicContact CE1-CD2 4.24Å; F160-L212 HydrophobicContact CZ-CD1 3.85Å; F160-L212 HydrophobicContact CZ-CD2 3.81Å; F160-L212 HydrophobicContact CZ-CG 4.48Å
161A88.8Confident82.1Confident19 Ų1935.9 Ų35.916%0.15718%0.182CC..EExtended strand (participates in β ladder)trans-150.9159.7175.600000111.3F159 H165 F171 F194 D195 A196F159-A161 HydrophobicContact CD2-CB 3.92Å; F159-A161 HydrophobicContact CE2-CB 3.82Å; A161-H165 HydrophobicContact CB-CB 3.19Å; A161-F171 WeakPolarHBondContact O-CD2 3.35Å; A161-F171 WeakPolarHBondContact O-CE2 3.37Å; A161-F194 PolarHBondContact N-O 3.21Å; A161-D195 CarbonylContact O-C 3.56Å; A161-D195 WeakPolarHBondContact O-CA 3.17Å; A161-A196 PolarHBondContact O-N 3Å
162S86.6Confident82.1Confident54 Ų5432.9 Ų32.938%0.37818%0.177SC..  trans-109.1147.3177-53.10000109.6F164 D197S162-F164 PolarHBondContact O-N 3.29Å; S162-D197 WeakPolarHBondContact CB-OD1 3.41Å; S162-D197 WeakPolarHBondContact CB-OD2 3.48Å; S162-D197 VanDerWaalsContact OG-CG 3.29Å; S162-D197 PolarHBondContact OG-OD1 3.09Å
163G81Confident82.2Confident18 Ų1824.6 Ų24.619%0.18615%0.145CC..SBendtrans54.2-137.4177.100000112.7H165 P170 F171G163-H165 PolarHBondContact O-N 3.28Å; G163-H165 PolarHBondContact O-ND1 3.15Å; G163-P170 WeakPolarHBondContact O-CA 3.3Å; G163-F171 PolarHBondContact O-N 2.7Å
164F74.3Confident82.4Confident30 Ų3027 Ų2713%0.13216%0.156CC..  trans-71.8124.9173.4175.6-98.4000113.9S162 D167 P170 F347 E379 A380S162-F164 PolarHBondContact O-N 3.29Å; F164-D167 WeakPolarHBondContact CE2-O 3.39Å; F164-P170 HydrophobicContact CB-CB 4.07Å; F164-F347 AromaticContact CE2-CE1 3.64Å; F164-F347 HydrophobicContact CE2-CE1 3.64Å; F164-F347 HydrophobicContact CE2-CE2 4.43Å; F164-F347 AromaticContact CE2-CZ 3.36Å; F164-F347 HydrophobicContact CE2-CZ 3.36Å; F164-F347 AromaticContact CZ-CE1 3.95Å; F164-F347 HydrophobicContact CZ-CE1 3.95Å; F164-F347 AromaticContact CZ-CZ 3.51Å; F164-F347 HydrophobicContact CZ-CZ 3.51Å; F164-E379 HydrophobicContact CB-CB 3.54Å; F164-E379 HydrophobicContact CB-CG 3.73Å; F164-E379 WeakPolarHBondContact CB-OE2 3.31Å; F164-E379 HydrophobicContact CD2-CB 3.77Å; F164-E379 HydrophobicContact CG-CB 3.76Å; F164-E379 HydrophobicContact CG-CG 4.31Å; F164-E379 PolarHBondContact N-OE2 2.77Å; F164-E379 VanDerWaalsContact N-OE2 3.11Å; F164-A380 HydrophobicContact CD2-CB 4.03Å; F164-A380 HydrophobicContact CE2-CB 4.01Å
165H75.8Confident81.8Confident25 Ų2527.5 Ų27.512%0.11616%0.164CC..  trans-133.831.5-169.355.9-90.7000113.6F159 A161 G163 D167 S169 F171 H180 H193F159-H165 HydrophobicContact CE2-CB 4.09Å; F159-H165 AromaticContact CE2-CD2 3.74Å; F159-H165 AromaticContact CZ-CD2 3.91Å; A161-H165 HydrophobicContact CB-CB 3.19Å; G163-H165 PolarHBondContact O-N 3.28Å; G163-H165 PolarHBondContact O-ND1 3.15Å; H165-D167 IonicContact CD2-OD1 3.65Å; H165-D167 IonicContact CD2-OD2 3.03Å; H165-D167 IonicContact CE1-OD1 3.79Å; H165-D167 IonicContact NE2-OD1 3.78Å; H165-D167 PolarHBondContact NE2-OD1 3.24Å; H165-D167 IonicContact NE2-OD2 2.68Å; H165-D167 PolarHBondContact NE2-OD2 2.99Å; H165-S169 PolarHBondContact CE1-O 3.44Å; H165-F171 AromaticContact CE1-CD2 3.22Å; H165-F171 WeakPolarHBondContact CE1-CD2 3.45Å; H165-F171 AromaticContact CE1-CE2 3.13Å; H165-F171 WeakPolarHBondContact CE1-CE2 3.36Å; H165-F171 AromaticContact CE1-CG 3.82Å; H165-F171 AromaticContact CE1-CZ 3.64Å; H165-F171 AromaticContact ND1-CD2 3.32Å; H165-F171 VanDerWaalsContact ND1-CD2 3.32Å; H165-F171 WeakPolarHBondContact ND1-CD2 3.45Å; H165-F171 AromaticContact ND1-CE2 3.53Å; H165-F171 AromaticContact NE2-CE2 3.54Å; H165-F171 AromaticContact NE2-CZ 3.87Å; H165-H180 AromaticContact CE1-CE1 3.65Å; H165-H180 AromaticContact NE2-CE1 3.31Å; H165-H180 PolarHBondContact NE2-CE1 3.45Å; H165-H180 VanDerWaalsContact NE2-CE1 3.31Å; H165-H180 AromaticContact NE2-NE2 3.5Å; H165-H180 PolarHBondContact NE2-NE2 2.9Å; H165-H193 AromaticContact CD2-CG 3.82Å; H165-H193 AromaticContact CD2-ND1 3.21Å; H165-H193 PolarHBondContact CD2-ND1 2.78Å; H165-H193 AromaticContact NE2-CG 3.72Å; H165-H193 AromaticContact NE2-ND1 3.09Å; H165-H193 PolarHBondContact NE2-ND1 2.96Å
166G64Low81.4Confident15 Ų1527.3 Ų27.316%0.15517%0.168CC..SBendtrans95.88.717000000115.3R330G166-R330 PolarHBondContact O-NH1 2.94Å
167D68.6Low80.8Confident0 Ų028.8 Ų28.80%017%0.174CC..SBendtrans-132.9-173.6177.380.35.4000112.9F164 H165 S169 H180 Y182 M188 H193 F347F164-D167 WeakPolarHBondContact CE2-O 3.39Å; H165-D167 IonicContact CD2-OD1 3.65Å; H165-D167 IonicContact CD2-OD2 3.03Å; H165-D167 IonicContact CE1-OD1 3.79Å; H165-D167 IonicContact NE2-OD1 3.78Å; H165-D167 PolarHBondContact NE2-OD1 3.24Å; H165-D167 IonicContact NE2-OD2 2.68Å; H165-D167 PolarHBondContact NE2-OD2 2.99Å; D167-S169 VanDerWaalsContact C-N 3.28Å; D167-S169 PolarHBondContact O-N 2.85Å; D167-S169 PolarHBondContact OD1-N 2.9Å; D167-H180 IonicContact OD1-CE1 2.72Å; D167-H180 IonicContact OD2-CD2 3.45Å; D167-H180 IonicContact OD2-CE1 3.78Å; D167-H180 PolarHBondContact OD2-CE1 2.77Å; D167-H180 IonicContact OD2-NE2 3.58Å; D167-H180 PolarHBondContact OD2-NE2 3.41Å; D167-Y182 HydrophobicContact CB-CE2 4.23Å; D167-Y182 WeakPolarHBondContact CB-OH 3.1Å; D167-Y182 WeakPolarHBondContact OD2-CE2 3.27Å; D167-Y182 PolarHBondContact OD2-OH 3.05Å; D167-M188 HydrophobicContact CB-CE 4.49Å; D167-H193 IonicContact OD2-CE1 3.57Å; D167-H193 PolarHBondContact OD2-CE1 3.35Å; D167-H193 IonicContact OD2-ND1 2.73Å; D167-H193 PolarHBondContact OD2-ND1 3.39Å; D167-F347 VanDerWaalsContact CA-CE2 3.46Å; D167-F347 WeakPolarHBondContact O-CE2 3.18Å; D167-F347 WeakPolarHBondContact O-CZ 3.4Å
168S65.3Low80.6Confident5 Ų526.8 Ų26.84%0.03517%0.165CC..SBendtrans-75.1-8.2-177.5-24.40000116.2P170 H346 F347S168-P170 WeakPolarHBondContact O-CD 3.18Å; S168-H346 WeakPolarHBondContact CB-O 2.91Å; S168-H346 PolarHBondContact OG-CD2 3.36Å; S168-H346 PolarHBondContact OG-O 2.66Å; S168-F347 WeakPolarHBondContact CA-O 3.36Å; S168-F347 WeakPolarHBondContact CB-O 3.45Å; S168-F347 WeakPolarHBondContact OG-CA 3.39Å
169S69.3Low80.4Confident23 Ų2326.7 Ų26.716%0.16116%0.164CC..  trans-128.766.2-158.1-62.30000108.9H165 D167 H180 R349H165-S169 PolarHBondContact CE1-O 3.44Å; D167-S169 VanDerWaalsContact C-N 3.28Å; D167-S169 PolarHBondContact O-N 2.85Å; D167-S169 PolarHBondContact OD1-N 2.9Å; S169-H180 WeakPolarHBondContact CB-CE1 3.49Å; S169-H180 WeakPolarHBondContact CB-ND1 3.36Å; S169-H180 PolarHBondContact O-CE1 3.39Å; S169-R349 PolarHBondContact OG-NH2 3.28Å
170P75.4Confident80.2Confident7 Ų726.3 Ų26.35%0.04516%0.163CC..  trans-63.8143.2-177.331.2-36.9000110.3G163 F164 S168 A380 N381G163-P170 WeakPolarHBondContact O-CA 3.3Å; F164-P170 HydrophobicContact CB-CB 4.07Å; S168-P170 WeakPolarHBondContact O-CD 3.18Å; P170-A380 HydrophobicContact CG-CB 4.28Å; P170-N381 HydrophobicContact CG-CB 4.37Å; P170-N381 WeakPolarHBondContact CG-ND2 3.35Å; P170-N381 VanDerWaalsContact CG-OD1 3.3Å; P170-N381 WeakPolarHBondContact CG-OD1 3.46Å
171F83Confident80.1Confident11 Ų1126.2 Ų26.25%0.04816%0.164CC..  trans-72.5154.2177.6-68.9-55.4000112.4A161 G163 H165 F177 H180 H193 F194 D195A161-F171 WeakPolarHBondContact O-CD2 3.35Å; A161-F171 WeakPolarHBondContact O-CE2 3.37Å; G163-F171 PolarHBondContact O-N 2.7Å; H165-F171 AromaticContact CE1-CD2 3.22Å; H165-F171 WeakPolarHBondContact CE1-CD2 3.45Å; H165-F171 AromaticContact CE1-CE2 3.13Å; H165-F171 WeakPolarHBondContact CE1-CE2 3.36Å; H165-F171 AromaticContact CE1-CG 3.82Å; H165-F171 AromaticContact CE1-CZ 3.64Å; H165-F171 AromaticContact ND1-CD2 3.32Å; H165-F171 VanDerWaalsContact ND1-CD2 3.32Å; H165-F171 WeakPolarHBondContact ND1-CD2 3.45Å; H165-F171 AromaticContact ND1-CE2 3.53Å; H165-F171 AromaticContact NE2-CE2 3.54Å; H165-F171 AromaticContact NE2-CZ 3.87Å; F171-F177 HydrophobicContact CD1-CB 4.37Å; F171-H180 AromaticContact CE1-ND1 3.95Å; F171-H193 HydrophobicContact CE2-CB 4.15Å; F171-H193 HydrophobicContact CZ-CB 3.83Å; F171-F194 WeakPolarHBondContact CE2-O 3.17Å; F171-D195 HydrophobicContact CB-CB 4.1Å; F171-D195 WeakPolarHBondContact CB-OD2 3.19Å; F171-D195 HydrophobicContact CD1-CB 3.65Å; F171-D195 HydrophobicContact CD2-CB 3.89Å; F171-D195 HydrophobicContact CE1-CB 4.01Å; F171-D195 HydrophobicContact CE2-CB 4.21Å; F171-D195 HydrophobicContact CG-CB 3.61Å; F171-D195 HydrophobicContact CZ-CB 4.28Å
172D78.3Confident79.9Confident86 Ų8626.9 Ų26.946%0.4616%0.162SC..  trans-96.6-2.2-176.359-22.4000114.5F177D172-F177 HydrophobicContact CB-CD2 3.67Å; D172-F177 HydrophobicContact CB-CE2 3.86Å; D172-F177 WeakPolarHBondContact OD1-CB 3.34Å; D172-F177 WeakPolarHBondContact OD1-CD2 3.4Å; D172-F177 PolarHBondContact OD1-N 3.14Å; D172-F177 WeakPolarHBondContact OD2-CD2 3.48Å; D172-F177 VanDerWaalsContact OD2-CE2 3.31Å; D172-F177 WeakPolarHBondContact OD2-CE2 3.36Å
173G80.8Confident80Confident13 Ų1326 Ų2613%0.13415%0.152CC..SBendtrans96.9-152-17900000110.9G175 D195G173-G175 PolarHBondContact O-N 3.38Å; G173-D195 PolarHBondContact N-OD2 3.41Å
174E84.1Confident80.3Confident148 Ų14825.5 Ų25.569%0.69215%0.145SC*.SBendtrans-68.6121.1-177.2179.2168.3-165.700112.7
175G76.5Confident80.4Confident26 Ų2625.2 Ų25.227%0.26815%0.151SC..SBendtrans85.3163.4-178.300000112.2G173 F177 E198G173-G175 PolarHBondContact O-N 3.38Å; G175-F177 PolarHBondContact O-N 3.37Å; G175-E198 WeakPolarHBondContact CA-OE1 3.34Å; G175-E198 PolarHBondContact N-OE1 3.02Å
176G82.3Confident80.1Confident22 Ų2229.9 Ų29.923%0.22718%0.183CC..SBendtrans88.5-103.5-178.200000111.9P70 R71P70-G176 WeakPolarHBondContact CA-O 3.32Å; R71-G176 PolarHBondContact N-O 3.17Å
177F82.7Confident80.5Confident31 Ų3130.5 Ų30.514%0.13619%0.19CC..BIsolated β-bridgetrans-88103.3-176-53.2-66.4000112M20 Y21 F171 D172 G175M20-F177 HydrophobicContact CE-CE2 4.45Å; M20-F177 HydrophobicContact CE-CZ 3.95Å; M20-F177 HydrophobicContact SD-CE1 3.48Å; M20-F177 WeakPolarHBondContact SD-CE1 3.49Å; M20-F177 HydrophobicContact SD-CE2 4.01Å; M20-F177 HydrophobicContact SD-CZ 3.1Å; M20-F177 WeakPolarHBondContact SD-CZ 3.48Å; Y21-F177 HydrophobicContact CE1-CD1 4.33Å; Y21-F177 AromaticContact CE1-CE1 3.79Å; Y21-F177 HydrophobicContact CE1-CE1 3.79Å; Y21-F177 HydrophobicContact CE2-CE1 4.27Å; Y21-F177 AromaticContact CZ-CE1 3.35Å; Y21-F177 VanDerWaalsContact OH-CD1 3.26Å; Y21-F177 WeakPolarHBondContact OH-CD1 3.45Å; Y21-F177 WeakPolarHBondContact OH-CE1 3.31Å; F171-F177 HydrophobicContact CD1-CB 4.37Å; D172-F177 HydrophobicContact CB-CD2 3.67Å; D172-F177 HydrophobicContact CB-CE2 3.86Å; D172-F177 WeakPolarHBondContact OD1-CB 3.34Å; D172-F177 WeakPolarHBondContact OD1-CD2 3.4Å; D172-F177 PolarHBondContact OD1-N 3.14Å; D172-F177 WeakPolarHBondContact OD2-CD2 3.48Å; D172-F177 VanDerWaalsContact OD2-CE2 3.31Å; D172-F177 WeakPolarHBondContact OD2-CE2 3.36Å; G175-F177 PolarHBondContact O-N 3.37Å
178L89.4Confident80.6Confident3 Ų331.9 Ų31.92%0.01620%0.197CC..  trans-71.6-42-177.7-61-174.8000113.4P70 R71 D195 E198 W200 N210 V215 Y240P70-L178 HydrophobicContact CB-CD1 3.94Å; P70-L178 HydrophobicContact CB-CD2 3.83Å; P70-L178 HydrophobicContact CB-CG 3.95Å; R71-L178 PolarHBondContact O-N 3.04Å; L178-D195 PolarHBondContact O-N 3.46Å; L178-E198 HydrophobicContact CD2-CG 3.9Å; L178-E198 WeakPolarHBondContact CD2-OE1 3.45Å; L178-E198 WeakPolarHBondContact CD2-OE2 3.46Å; L178-W200 HydrophobicContact CB-CH2 4.27Å; L178-W200 WeakPolarHBondContact O-CH2 3.47Å; L178-W200 WeakPolarHBondContact O-CZ2 3.46Å; L178-N210 HydrophobicContact CD1-CB 4.43Å; L178-N210 HydrophobicContact CD2-CB 4.21Å; L178-N210 VanDerWaalsContact CD2-ND2 3.29Å; L178-N210 WeakPolarHBondContact CD2-ND2 3.13Å; L178-V215 HydrophobicContact CB-CG1 4.28Å; L178-V215 HydrophobicContact CD1-CG2 3.82Å; L178-Y240 HydrophobicContact CD1-CD2 3.85Å; L178-Y240 HydrophobicContact CD1-CG 3.82Å
179A92.9Very high81.2Confident0 Ų032.1 Ų32.10%020%0.199CC..EExtended strand (participates in β ladder)trans-168.5168.2-173.200000109.6G73 H193 F194 V215 E219G73-A179 PolarHBondContact N-O 3.28Å; A179-H193 CarbonylContact C-O 3.42Å; A179-H193 VanDerWaalsContact CA-O 3.23Å; A179-H193 WeakPolarHBondContact CA-O 3.48Å; A179-H193 VanDerWaalsContact CB-O 3.22Å; A179-H193 WeakPolarHBondContact CB-O 3.4Å; A179-F194 HydrophobicContact CB-CD1 3.76Å; A179-F194 HydrophobicContact CB-CE1 4.24Å; A179-F194 HydrophobicContact CB-CG 4.36Å; A179-V215 HydrophobicContact CB-CG1 3.62Å; A179-E219 HydrophobicContact CB-CG 3.54Å
180H90.9Very high81.9Confident9 Ų931 Ų314%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-147.6160.4163.161.1-122.5000110.8V74 H165 D167 S169 F171 H193 E219V74-H180 HydrophobicContact CG2-CB 4.05Å; H165-H180 AromaticContact CE1-CE1 3.65Å; H165-H180 AromaticContact NE2-CE1 3.31Å; H165-H180 PolarHBondContact NE2-CE1 3.45Å; H165-H180 VanDerWaalsContact NE2-CE1 3.31Å; H165-H180 AromaticContact NE2-NE2 3.5Å; H165-H180 PolarHBondContact NE2-NE2 2.9Å; D167-H180 IonicContact OD1-CE1 2.72Å; D167-H180 IonicContact OD2-CD2 3.45Å; D167-H180 IonicContact OD2-CE1 3.78Å; D167-H180 PolarHBondContact OD2-CE1 2.77Å; D167-H180 IonicContact OD2-NE2 3.58Å; D167-H180 PolarHBondContact OD2-NE2 3.41Å; S169-H180 WeakPolarHBondContact CB-CE1 3.49Å; S169-H180 WeakPolarHBondContact CB-ND1 3.36Å; S169-H180 PolarHBondContact O-CE1 3.39Å; F171-H180 AromaticContact CE1-ND1 3.95Å; H180-H193 AromaticContact CD2-ND1 3.9Å; H180-H193 PolarHBondContact N-O 2.97Å; H180-H193 AromaticContact NE2-CE1 3.99Å; H180-H193 AromaticContact NE2-CG 3.67Å; H180-H193 AromaticContact NE2-ND1 3.11Å; H180-H193 PolarHBondContact NE2-ND1 3.48Å; H180-H193 VanDerWaalsContact NE2-ND1 3.11Å; H180-H193 PolarHBondContact O-N 2.81Å; H180-E219 WeakPolarHBondContact CA-OE2 3.37Å
181A91.8Very high82.7Confident6 Ų631.1 Ų31.15%0.0519%0.192CC..EExtended strand (participates in β ladder)trans-134.9150.816900000112.4D191 T192 E219 H222 A223A181-D191 CarbonylContact C-O 2.96Å; A181-D191 VanDerWaalsContact CA-O 3.27Å; A181-D191 WeakPolarHBondContact CA-O 3.18Å; A181-T192 HydrophobicContact CB-CG2 4.13Å; A181-T192 WeakPolarHBondContact CB-OG1 3.5Å; A181-E219 HydrophobicContact CB-CB 4.01Å; A181-E219 VanDerWaalsContact CB-O 3.22Å; A181-E219 WeakPolarHBondContact CB-O 3.42Å; A181-E219 PolarHBondContact N-OE2 2.84Å; A181-E219 VanDerWaalsContact N-OE2 3.1Å; A181-H222 HydrophobicContact CB-CB 3.95Å; A181-A223 HydrophobicContact CB-CB 4.48Å
182Y86.2Confident83.2Confident32 Ų3230.6 Ų30.613%0.12519%0.19CC..PPolyproline II helixtrans-86.1144.3173.3-75.6-79.4000111D167 M188 G190 D191 H193 A223 H346D167-Y182 HydrophobicContact CB-CE2 4.23Å; D167-Y182 WeakPolarHBondContact CB-OH 3.1Å; D167-Y182 WeakPolarHBondContact OD2-CE2 3.27Å; D167-Y182 PolarHBondContact OD2-OH 3.05Å; Y182-M188 WeakPolarHBondContact CB-O 3.35Å; Y182-M188 HydrophobicContact CD2-CB 4.32Å; Y182-M188 HydrophobicContact CE1-CE 4.3Å; Y182-M188 HydrophobicContact CE2-CE 4.11Å; Y182-G190 VanDerWaalsContact O-CA 3.25Å; Y182-G190 WeakPolarHBondContact O-CA 3.34Å; Y182-G190 PolarHBondContact O-N 2.91Å; Y182-D191 HydrophobicContact CD2-CB 4.44Å; Y182-D191 PolarHBondContact N-O 3.16Å; Y182-H193 AromaticContact CE2-CE1 4Å; Y182-A223 WeakPolarHBondContact O-CA 3.33Å; Y182-H346 AromaticContact CE1-NE2 3.46Å; Y182-H346 WeakPolarHBondContact CE1-NE2 3.4Å
183F87.4Confident84Confident36 Ų3626.7 Ų26.716%0.15817%0.169CC..PPolyproline II helixtrans-67.3160175.8-63.9-59.6000113.1V74 F78 T94 H96 G185 G189 G190 H222 L226V74-F183 HydrophobicContact CG1-CE2 4.48Å; V74-F183 HydrophobicContact CG1-CZ 4.02Å; F78-F183 HydrophobicContact CD1-CE2 4.39Å; F78-F183 AromaticContact CE1-CE2 3.54Å; F78-F183 HydrophobicContact CE1-CE2 3.54Å; F78-F183 HydrophobicContact CE1-CZ 4.14Å; F78-F183 AromaticContact CE2-CE2 3.87Å; F78-F183 HydrophobicContact CE2-CE2 3.87Å; F78-F183 AromaticContact CE2-CZ 3.74Å; F78-F183 HydrophobicContact CE2-CZ 3.74Å; F78-F183 AromaticContact CZ-CE2 3.25Å; F78-F183 HydrophobicContact CZ-CE2 3.25Å; F78-F183 AromaticContact CZ-CZ 3.36Å; F78-F183 HydrophobicContact CZ-CZ 3.36Å; T94-F183 HydrophobicContact CG2-CD1 3.33Å; T94-F183 HydrophobicContact CG2-CD2 3.96Å; T94-F183 HydrophobicContact CG2-CE1 3.18Å; T94-F183 HydrophobicContact CG2-CE2 3.81Å; T94-F183 HydrophobicContact CG2-CG 3.72Å; T94-F183 HydrophobicContact CG2-CZ 3.42Å; T94-F183 VanDerWaalsContact CG2-CZ 3.42Å; H96-F183 HydrophobicContact CB-CB 4.22Å; F183-G185 PolarHBondContact O-N 3.31Å; F183-G189 CarbonylContact O-C 2.81Å; F183-G189 WeakPolarHBondContact O-CA 3.48Å; F183-G190 PolarHBondContact O-N 3Å; F183-H222 HydrophobicContact CD1-CB 4.42Å; F183-H222 VanDerWaalsContact CD1-O 3.28Å; F183-H222 WeakPolarHBondContact CD1-O 3.32Å; F183-H222 HydrophobicContact CE1-CB 4.07Å; F183-H222 AromaticContact CE1-ND1 3.68Å; F183-L226 WeakPolarHBondContact CE1-O 3.3Å
184P88.4Confident84.7Confident7 Ų726.1 Ų26.15%0.04516%0.162CC..SBendtrans-49.4127.2177.1-26.630000113H96 W98 A223H96-P184 HydrophobicContact CB-CB 4.49Å; W98-P184 HydrophobicContact CD2-CB 3.84Å; W98-P184 HydrophobicContact CE3-CB 4.49Å; W98-P184 HydrophobicContact CG-CB 3.97Å; W98-P184 HydrophobicContact CG-CG 4.37Å; W98-P184 HydrophobicContact CZ2-CB 4.24Å; P184-A223 WeakPolarHBondContact CD-O 3.44Å; P184-A223 WeakPolarHBondContact CG-O 3.44Å
185G76.1Confident85.2Confident25 Ų2519 Ų1926%0.25813%0.129SC..  trans177.7172-178.700000112.8F183 G189F183-G185 PolarHBondContact O-N 3.31Å; G185-G189 WeakPolarHBondContact O-CA 3.28Å
186P68.9Low86Confident123 Ų12319 Ų1980%0.79913%0.126SC*.SBendtrans-68.3148.3173.230.2-34000110.7
187G73.3Confident86.5Confident28 Ų2821 Ų2129%0.28913%0.132SC..SBendtrans76.3-118.2176.300000113.9G189 N339G187-G189 PolarHBondContact O-N 3.2Å; G187-G189 VanDerWaalsContact O-N 3.14Å; G187-N339 VanDerWaalsContact C-ND2 3.34Å; G187-N339 WeakPolarHBondContact CA-ND2 3.24Å; G187-N339 WeakPolarHBondContact CA-OD1 3.5Å
188M69.9Low86.9Confident29 Ų2919.5 Ų19.514%0.14313%0.125CC..SBendtrans-72.60.7178.4-57.3-173.4-41.900113.1D167 Y182 G190 D191 N339 M342D167-M188 HydrophobicContact CB-CE 4.49Å; Y182-M188 WeakPolarHBondContact CB-O 3.35Å; Y182-M188 HydrophobicContact CD2-CB 4.32Å; Y182-M188 HydrophobicContact CE1-CE 4.3Å; Y182-M188 HydrophobicContact CE2-CE 4.11Å; M188-G190 PolarHBondContact O-N 3.31Å; M188-D191 WeakPolarHBondContact CA-OD2 3.21Å; M188-D191 WeakPolarHBondContact O-CB 3.26Å; M188-D191 PolarHBondContact O-N 3.5Å; M188-N339 HydrophobicContact CG-CB 4.37Å; M188-M342 HydrophobicContact CE-CE 3.24Å; M188-M342 HydrophobicContact CE-SD 4.05Å; M188-M342 HydrophobicContact SD-CE 3.87Å
189G77.8Confident86.9Confident9 Ų921.8 Ų21.89%0.09314%0.14CC..THydrogen-bonded Turntrans-65.3120179.400000110.3W98 D155 F183 G185 G187W98-G189 WeakPolarHBondContact CH2-O 3.47Å; W98-G189 WeakPolarHBondContact CZ2-O 3.42Å; D155-G189 VanDerWaalsContact O-O 3.14Å; F183-G189 CarbonylContact O-C 2.81Å; F183-G189 WeakPolarHBondContact O-CA 3.48Å; G185-G189 WeakPolarHBondContact O-CA 3.28Å; G187-G189 PolarHBondContact O-N 3.2Å; G187-G189 VanDerWaalsContact O-N 3.14Å
190G84.7Confident87Confident0 Ų022.1 Ų22.10%014%0.142CC..THydrogen-bonded Turntrans100.5-21.8-172.600000114.6I156 Y182 F183 M188 T192 A223I156-G190 WeakPolarHBondContact CG2-O 3.27Å; Y182-G190 VanDerWaalsContact O-CA 3.25Å; Y182-G190 WeakPolarHBondContact O-CA 3.34Å; Y182-G190 PolarHBondContact O-N 2.91Å; F183-G190 PolarHBondContact O-N 3Å; M188-G190 PolarHBondContact O-N 3.31Å; G190-T192 PolarHBondContact O-N 3.46Å; G190-T192 PolarHBondContact O-OG1 2.81Å; G190-A223 VanDerWaalsContact O-CB 3.26Å; G190-A223 WeakPolarHBondContact O-CB 3.3Å
191D91Very high86.9Confident9 Ų922.8 Ų22.85%0.04815%0.146CC..  trans-61.2138.4-177.7-71-7.6000110.9M157 A181 Y182 M188M157-D191 WeakPolarHBondContact CA-OD1 3.43Å; M157-D191 WeakPolarHBondContact CB-OD1 3.31Å; M157-D191 PolarHBondContact N-OD1 2.85Å; M157-D191 WeakPolarHBondContact O-CA 3.48Å; A181-D191 CarbonylContact C-O 2.96Å; A181-D191 VanDerWaalsContact CA-O 3.27Å; A181-D191 WeakPolarHBondContact CA-O 3.18Å; Y182-D191 HydrophobicContact CD2-CB 4.44Å; Y182-D191 PolarHBondContact N-O 3.16Å; M188-D191 WeakPolarHBondContact CA-OD2 3.21Å; M188-D191 WeakPolarHBondContact O-CB 3.26Å; M188-D191 PolarHBondContact O-N 3.5Å
192T94.6Very high86.7Confident0 Ų025.1 Ų25.10%016%0.157CC..EExtended strand (participates in β ladder)trans-126.6119.8-173.6-58.70000109.7M157 I158 F159 A181 G190 F194 E219M157-T192 PolarHBondContact O-N 2.72Å; I158-T192 WeakPolarHBondContact CA-O 3.06Å; F159-T192 PolarHBondContact N-O 3.35Å; A181-T192 HydrophobicContact CB-CG2 4.13Å; A181-T192 WeakPolarHBondContact CB-OG1 3.5Å; G190-T192 PolarHBondContact O-N 3.46Å; G190-T192 PolarHBondContact O-OG1 2.81Å; T192-F194 HydrophobicContact CG2-CD2 4.35Å; T192-F194 HydrophobicContact CG2-CE2 3.63Å; T192-F194 HydrophobicContact CG2-CZ 3.78Å; T192-E219 HydrophobicContact CG2-CB 3.46Å; T192-E219 VanDerWaalsContact CG2-CB 3.46Å; T192-E219 HydrophobicContact CG2-CG 4.17Å
193H94.6Very high86Confident4 Ų424.3 Ų24.32%0.01916%0.158CC..EExtended strand (participates in β ladder)trans-114.8134.3-175.7-51165.8000109.4F159 H165 D167 F171 A179 H180 Y182F159-H193 AromaticContact CD1-CD2 3.63Å; F159-H193 AromaticContact CE1-CD2 3.05Å; F159-H193 WeakPolarHBondContact CE1-CD2 3.16Å; F159-H193 AromaticContact CE1-CE1 3.73Å; F159-H193 AromaticContact CE1-CG 3.8Å; F159-H193 AromaticContact CE1-NE2 3.04Å; F159-H193 WeakPolarHBondContact CE1-NE2 3.46Å; F159-H193 HydrophobicContact CE2-CB 4.42Å; F159-H193 HydrophobicContact CZ-CB 4.42Å; F159-H193 AromaticContact CZ-CD2 3.3Å; F159-H193 WeakPolarHBondContact CZ-CD2 3.27Å; F159-H193 AromaticContact CZ-CE1 3.49Å; F159-H193 VanDerWaalsContact CZ-CE1 3.49Å; F159-H193 WeakPolarHBondContact CZ-CE1 3.33Å; F159-H193 AromaticContact CZ-CG 3.54Å; F159-H193 AromaticContact CZ-ND1 3.61Å; F159-H193 AromaticContact CZ-NE2 3.31Å; F159-H193 VanDerWaalsContact CZ-NE2 3.31Å; F159-H193 WeakPolarHBondContact CZ-NE2 3.22Å; F159-H193 WeakPolarHBondContact O-CA 3.39Å; H165-H193 AromaticContact CD2-CG 3.82Å; H165-H193 AromaticContact CD2-ND1 3.21Å; H165-H193 PolarHBondContact CD2-ND1 2.78Å; H165-H193 AromaticContact NE2-CG 3.72Å; H165-H193 AromaticContact NE2-ND1 3.09Å; H165-H193 PolarHBondContact NE2-ND1 2.96Å; D167-H193 IonicContact OD2-CE1 3.57Å; D167-H193 PolarHBondContact OD2-CE1 3.35Å; D167-H193 IonicContact OD2-ND1 2.73Å; D167-H193 PolarHBondContact OD2-ND1 3.39Å; F171-H193 HydrophobicContact CE2-CB 4.15Å; F171-H193 HydrophobicContact CZ-CB 3.83Å; A179-H193 CarbonylContact C-O 3.42Å; A179-H193 VanDerWaalsContact CA-O 3.23Å; A179-H193 WeakPolarHBondContact CA-O 3.48Å; A179-H193 VanDerWaalsContact CB-O 3.22Å; A179-H193 WeakPolarHBondContact CB-O 3.4Å; H180-H193 AromaticContact CD2-ND1 3.9Å; H180-H193 PolarHBondContact N-O 2.97Å; H180-H193 AromaticContact NE2-CE1 3.99Å; H180-H193 AromaticContact NE2-CG 3.67Å; H180-H193 AromaticContact NE2-ND1 3.11Å; H180-H193 PolarHBondContact NE2-ND1 3.48Å; H180-H193 VanDerWaalsContact NE2-ND1 3.11Å; H180-H193 PolarHBondContact O-N 2.81Å; Y182-H193 AromaticContact CE2-CE1 4Å
194F96.3Very high85.1Confident1 Ų124.7 Ų24.70%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-111.6138.1176.3-64.3-88.6000109.8I158 F159 F160 A161 F171 A179 T192 A196 W200 L212 V215 A216 E219I158-F194 HydrophobicContact CG2-CD2 4.01Å; I158-F194 HydrophobicContact CG2-CE2 3.6Å; F159-F194 PolarHBondContact O-N 3.48Å; F160-F194 VanDerWaalsContact CA-O 3.29Å; F160-F194 WeakPolarHBondContact CA-O 3.46Å; F160-F194 HydrophobicContact CD1-CB 3.46Å; F160-F194 VanDerWaalsContact CD1-CB 3.46Å; F160-F194 HydrophobicContact CD1-CG 4.28Å; F160-F194 HydrophobicContact CE1-CB 3.55Å; F160-F194 HydrophobicContact CE1-CD2 4.26Å; F160-F194 AromaticContact CE1-CG 3.91Å; F160-F194 HydrophobicContact CE1-CG 3.91Å; F160-F194 HydrophobicContact CG-CB 4.18Å; F160-F194 HydrophobicContact CZ-CB 4.32Å; F160-F194 HydrophobicContact CZ-CD2 4.21Å; F160-F194 HydrophobicContact CZ-CG 4.29Å; A161-F194 PolarHBondContact N-O 3.21Å; F171-F194 WeakPolarHBondContact CE2-O 3.17Å; A179-F194 HydrophobicContact CB-CD1 3.76Å; A179-F194 HydrophobicContact CB-CE1 4.24Å; A179-F194 HydrophobicContact CB-CG 4.36Å; T192-F194 HydrophobicContact CG2-CD2 4.35Å; T192-F194 HydrophobicContact CG2-CE2 3.63Å; T192-F194 HydrophobicContact CG2-CZ 3.78Å; F194-A196 PolarHBondContact O-N 3.02Å; F194-W200 HydrophobicContact CB-CZ2 3.91Å; F194-W200 AromaticContact CD1-CH2 3.86Å; F194-W200 HydrophobicContact CD1-CH2 3.86Å; F194-W200 HydrophobicContact CD1-CZ2 4.09Å; F194-W200 HydrophobicContact CG-CZ2 4.49Å; F194-L212 HydrophobicContact CD1-CD1 3.62Å; F194-L212 HydrophobicContact CE1-CD1 3.73Å; F194-L212 HydrophobicContact CG-CD1 4.16Å; F194-L212 HydrophobicContact CZ-CD1 4.35Å; F194-V215 HydrophobicContact CD1-CG1 4.2Å; F194-V215 HydrophobicContact CE1-CB 4.43Å; F194-V215 HydrophobicContact CE1-CG1 3.98Å; F194-A216 HydrophobicContact CE1-CB 4.01Å; F194-A216 HydrophobicContact CZ-CB 3.67Å; F194-E219 HydrophobicContact CE1-CG 4.42Å
195D94.6Very high83.8Confident0 Ų033 Ų330%020%0.2CC..EExtended strand (participates in β ladder)trans-69.7119.5175.4-170.6-9.5000109.9A161 F171 G173 L178 D197 E198 W200A161-D195 CarbonylContact O-C 3.56Å; A161-D195 WeakPolarHBondContact O-CA 3.17Å; F171-D195 HydrophobicContact CB-CB 4.1Å; F171-D195 WeakPolarHBondContact CB-OD2 3.19Å; F171-D195 HydrophobicContact CD1-CB 3.65Å; F171-D195 HydrophobicContact CD2-CB 3.89Å; F171-D195 HydrophobicContact CE1-CB 4.01Å; F171-D195 HydrophobicContact CE2-CB 4.21Å; F171-D195 HydrophobicContact CG-CB 3.61Å; F171-D195 HydrophobicContact CZ-CB 4.28Å; G173-D195 PolarHBondContact N-OD2 3.41Å; L178-D195 PolarHBondContact O-N 3.46Å; D195-D197 VanDerWaalsContact C-N 3.25Å; D195-D197 PolarHBondContact O-N 2.89Å; D195-D197 WeakPolarHBondContact OD1-CB 3.4Å; D195-D197 PolarHBondContact OD1-N 2.85Å; D195-E198 HydrophobicContact CB-CG 3.83Å; D195-W200 WeakPolarHBondContact O-CZ2 3.23Å; D195-W200 PolarHBondContact O-NE1 3.28Å
196A92.8Very high83.5Confident24 Ų2435.3 Ų35.320%0.19821%0.206CC..THydrogen-bonded Turntrans-72.4-18.1179.500000113.4F160 A161 F194 E198F160-A196 HydrophobicContact CB-CB 4.16Å; A161-A196 PolarHBondContact O-N 3Å; F194-A196 PolarHBondContact O-N 3.02Å; A196-E198 VanDerWaalsContact C-N 3.35Å
197D91.6Very high83.3Confident64 Ų6433.4 Ų33.434%0.34219%0.192SC..THydrogen-bonded Turntrans-78.8-21.5-178.4-67.2-18.9000112.4S162 D195S162-D197 WeakPolarHBondContact CB-OD1 3.41Å; S162-D197 WeakPolarHBondContact CB-OD2 3.48Å; S162-D197 VanDerWaalsContact OG-CG 3.29Å; S162-D197 PolarHBondContact OG-OD1 3.09Å; D195-D197 VanDerWaalsContact C-N 3.25Å; D195-D197 PolarHBondContact O-N 2.89Å; D195-D197 WeakPolarHBondContact OD1-CB 3.4Å; D195-D197 PolarHBondContact OD1-N 2.85Å
198E91.9Very high82.9Confident1 Ų141 Ų411%0.00522%0.22CC..SBendtrans-60.8140.5177.9-71.7-6916400112.7G175 L178 D195 A196 W200 N210G175-E198 WeakPolarHBondContact CA-OE1 3.34Å; G175-E198 PolarHBondContact N-OE1 3.02Å; L178-E198 HydrophobicContact CD2-CG 3.9Å; L178-E198 WeakPolarHBondContact CD2-OE1 3.45Å; L178-E198 WeakPolarHBondContact CD2-OE2 3.46Å; D195-E198 HydrophobicContact CB-CG 3.83Å; A196-E198 VanDerWaalsContact C-N 3.35Å; E198-W200 HydrophobicContact CB-CD2 4.3Å; E198-W200 HydrophobicContact CB-CZ2 3.98Å; E198-W200 HydrophobicContact CG-CZ2 4.33Å; E198-W200 PolarHBondContact O-N 2.9Å; E198-N210 PolarHBondContact OE2-ND2 3.14Å
199P90.1Very high83.2Confident50 Ų5040 Ų4033%0.32522%0.216SC..  trans-77.467175.833.6-37.1000110.2T201P199-T201 PolarHBondContact O-N 3.1Å
200W93.2Very high83.6Confident8 Ų840.1 Ų40.13%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-51.7135-179.6-65.7102.3000112T111 K113 I114 L178 F194 D195 E198 N210 L212 V215T111-W200 HydrophobicContact CG2-CB 4.31Å; T111-W200 HydrophobicContact CG2-CG 4.23Å; K113-W200 HydrophobicContact CB-CB 4.28Å; I114-W200 HydrophobicContact CG2-CB 4.29Å; I114-W200 WeakPolarHBondContact CG2-O 3.33Å; L178-W200 HydrophobicContact CB-CH2 4.27Å; L178-W200 WeakPolarHBondContact O-CH2 3.47Å; L178-W200 WeakPolarHBondContact O-CZ2 3.46Å; F194-W200 HydrophobicContact CB-CZ2 3.91Å; F194-W200 AromaticContact CD1-CH2 3.86Å; F194-W200 HydrophobicContact CD1-CH2 3.86Å; F194-W200 HydrophobicContact CD1-CZ2 4.09Å; F194-W200 HydrophobicContact CG-CZ2 4.49Å; D195-W200 WeakPolarHBondContact O-CZ2 3.23Å; D195-W200 PolarHBondContact O-NE1 3.28Å; E198-W200 HydrophobicContact CB-CD2 4.3Å; E198-W200 HydrophobicContact CB-CZ2 3.98Å; E198-W200 HydrophobicContact CG-CZ2 4.33Å; E198-W200 PolarHBondContact O-N 2.9Å; W200-N210 HydrophobicContact CE3-CB 4.42Å; W200-N210 HydrophobicContact CZ3-CB 4.44Å; W200-L212 HydrophobicContact CD2-CB 4.44Å; W200-L212 HydrophobicContact CD2-CD1 4.09Å; W200-L212 HydrophobicContact CE3-CB 3.84Å; W200-L212 HydrophobicContact CE3-CD1 3.82Å; W200-L212 HydrophobicContact CE3-CG 4.45Å; W200-L212 HydrophobicContact CH2-CD1 4.32Å; W200-L212 HydrophobicContact CZ3-CB 4.43Å; W200-L212 HydrophobicContact CZ3-CD1 3.94Å; W200-V215 HydrophobicContact CH2-CB 4.22Å; W200-V215 HydrophobicContact CH2-CG1 4Å; W200-V215 HydrophobicContact CH2-CG2 4.32Å; W200-V215 HydrophobicContact CZ3-CB 3.91Å; W200-V215 HydrophobicContact CZ3-CG1 4.21Å; W200-V215 HydrophobicContact CZ3-CG2 3.83Å
201T90.5Very high83.9Confident22 Ų2240.2 Ų40.214%0.13522%0.216CC..EExtended strand (participates in β ladder)trans-121.9169174.4610000110.6P199 N206 N210 D211 L212P199-T201 PolarHBondContact O-N 3.1Å; T201-N206 HydrophobicContact CG2-CB 4.08Å; T201-N210 PolarHBondContact N-O 3.42Å; T201-N210 PolarHBondContact OG1-O 3.4Å; T201-N210 VanDerWaalsContact OG1-O 3.11Å; T201-D211 WeakPolarHBondContact O-CA 3.46Å; T201-L212 PolarHBondContact O-N 3.29Å; T201-L212 VanDerWaalsContact O-N 3.12Å
202I86.6Confident84.1Confident56 Ų5639.8 Ų39.829%0.28721%0.213SC..  trans-138.5141.6173.4-165.9167.2000110.4I114 N118 A122 D211I114-I202 HydrophobicContact CD1-CB 4.45Å; I114-I202 HydrophobicContact CG2-CG2 4.5Å; N118-I202 HydrophobicContact CB-CD1 3.82Å; A122-I202 HydrophobicContact CB-CD1 4.37Å; I202-D211 WeakPolarHBondContact CA-OD2 3.32Å
203G71.4Confident84.1Confident14 Ų1440 Ų4014%0.14421%0.214CC..G310 helixtrans74.4-170172.100000113.2H205 D211G203-H205 PolarHBondContact O-N 3.07Å; G203-D211 PolarHBondContact N-OD2 3.32Å
204N68.5Low83.9Confident44 Ų4439.9 Ų39.924%0.23521%0.214CC..G310 helixtrans-83.39.5-170.9-64.6-21.1000114W242 T245 D246N204-W242 HydrophobicContact CB-CZ2 4.19Å; N204-W242 VanDerWaalsContact OD1-CZ2 3.31Å; N204-W242 WeakPolarHBondContact OD1-CZ2 3.35Å; N204-T245 PolarHBondContact OD1-N 3.38Å; N204-T245 VanDerWaalsContact OD1-N 3.1Å; N204-T245 PolarHBondContact OD1-OG1 2.96Å; N204-D246 VanDerWaalsContact ND2-CG 3.34Å; N204-D246 PolarHBondContact ND2-OD2 3.42Å
205H62.4Low83.9Confident183 Ų18340.1 Ų40.185%0.84722%0.215SC*.G310 helixtrans-78.7-31-172.6-60.5-65.4000113.9G203G203-H205 PolarHBondContact O-N 3.07Å
206N68.8Low84Confident73 Ų7340.1 Ų40.139%0.3922%0.216SC..  trans-130.487.8178.5-172.83.9000110.6T201 Q208 G209T201-N206 HydrophobicContact CG2-CB 4.08Å; N206-Q208 PolarHBondContact O-N 3.1Å; N206-Q208 PolarHBondContact OD1-N 3.18Å; N206-G209 PolarHBondContact O-N 2.84Å; N206-G209 PolarHBondContact OD1-N 3.41Å
207V63.9Low84.2Confident82 Ų8239 Ų3950%0.49721%0.206SC..THydrogen-bonded Turntrans-63.9-19.1179.2-1760000112.4W242V207-W242 HydrophobicContact CB-CD2 4.44Å; V207-W242 HydrophobicContact CB-CG 4.47Å; V207-W242 HydrophobicContact CG1-CB 4.23Å; V207-W242 HydrophobicContact CG1-CD2 3.71Å; V207-W242 HydrophobicContact CG1-CE3 3.98Å; V207-W242 HydrophobicContact CG1-CG 3.81Å; V207-W242 HydrophobicContact CG2-CD2 4.46Å; V207-W242 HydrophobicContact CG2-CZ2 4.14Å
208Q66.1Low84.4Confident189 Ų18936.6 Ų36.688%0.88319%0.193SC*.THydrogen-bonded Turntrans-92-5.6176.4-63.2-174.9-11.600113N206N206-Q208 PolarHBondContact O-N 3.1Å; N206-Q208 PolarHBondContact OD1-N 3.18Å
209G76.7Confident84.6Confident6 Ų636.6 Ų36.66%0.06219%0.193CC..SBendtrans-89.4164.2178.400000113.3N206 D211 Y240N206-G209 PolarHBondContact O-N 2.84Å; N206-G209 PolarHBondContact OD1-N 3.41Å; G209-D211 PolarHBondContact O-N 3.26Å; G209-Y240 VanDerWaalsContact O-CE1 3.31Å; G209-Y240 WeakPolarHBondContact O-CE1 3.35Å; G209-Y240 PolarHBondContact O-OH 3.45Å
210N86.3Confident84.9Confident13 Ų1334.3 Ų34.37%0.0718%0.178CC..EExtended strand (participates in β ladder)trans-85.5104.5174.4-62-34.8000108.3L178 E198 W200 T201L178-N210 HydrophobicContact CD1-CB 4.43Å; L178-N210 HydrophobicContact CD2-CB 4.21Å; L178-N210 VanDerWaalsContact CD2-ND2 3.29Å; L178-N210 WeakPolarHBondContact CD2-ND2 3.13Å; E198-N210 PolarHBondContact OE2-ND2 3.14Å; W200-N210 HydrophobicContact CE3-CB 4.42Å; W200-N210 HydrophobicContact CZ3-CB 4.44Å; T201-N210 PolarHBondContact N-O 3.42Å; T201-N210 PolarHBondContact OG1-O 3.4Å; T201-N210 VanDerWaalsContact OG1-O 3.11Å
211D90.3Very high85Confident1 Ų134 Ų341%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-79.2119.7-179-177.9-78.4000110T201 I202 G203 G209 F213 L214 V215 Y240T201-D211 WeakPolarHBondContact O-CA 3.46Å; I202-D211 WeakPolarHBondContact CA-OD2 3.32Å; G203-D211 PolarHBondContact N-OD2 3.32Å; G209-D211 PolarHBondContact O-N 3.26Å; D211-F213 VanDerWaalsContact C-N 3.28Å; D211-F213 PolarHBondContact O-N 3.44Å; D211-F213 WeakPolarHBondContact OD1-CA 3.49Å; D211-F213 VanDerWaalsContact OD1-CB 3.25Å; D211-F213 WeakPolarHBondContact OD1-CB 3.22Å; D211-F213 PolarHBondContact OD1-N 3.27Å; D211-L214 HydrophobicContact CB-CB 4.34Å; D211-L214 HydrophobicContact CB-CD1 4.07Å; D211-L214 HydrophobicContact CB-CG 4.13Å; D211-L214 PolarHBondContact O-N 3.23Å; D211-L214 PolarHBondContact OD1-N 3.41Å; D211-V215 WeakPolarHBondContact O-CG2 3.43Å; D211-V215 PolarHBondContact O-N 2.77Å; D211-V215 VanDerWaalsContact O-N 3.14Å; D211-Y240 WeakPolarHBondContact CB-OH 3.49Å; D211-Y240 PolarHBondContact N-OH 2.75Å
212L95.1Very high85.1Confident0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-61.9-35.4-176.4178.564.9000112.4T111 I114 A122 F160 F194 W200 T201 A216T111-L212 HydrophobicContact CG2-CD2 4.38Å; I114-L212 HydrophobicContact CD1-CB 4.11Å; I114-L212 HydrophobicContact CD1-CD2 3.6Å; A122-L212 HydrophobicContact CB-CB 4.43Å; A122-L212 HydrophobicContact CB-CD2 4.01Å; A122-L212 HydrophobicContact CB-CG 4.17Å; F160-L212 HydrophobicContact CE1-CD1 3.74Å; F160-L212 HydrophobicContact CE1-CD2 4.24Å; F160-L212 HydrophobicContact CZ-CD1 3.85Å; F160-L212 HydrophobicContact CZ-CD2 3.81Å; F160-L212 HydrophobicContact CZ-CG 4.48Å; F194-L212 HydrophobicContact CD1-CD1 3.62Å; F194-L212 HydrophobicContact CE1-CD1 3.73Å; F194-L212 HydrophobicContact CG-CD1 4.16Å; F194-L212 HydrophobicContact CZ-CD1 4.35Å; W200-L212 HydrophobicContact CD2-CB 4.44Å; W200-L212 HydrophobicContact CD2-CD1 4.09Å; W200-L212 HydrophobicContact CE3-CB 3.84Å; W200-L212 HydrophobicContact CE3-CD1 3.82Å; W200-L212 HydrophobicContact CE3-CG 4.45Å; W200-L212 HydrophobicContact CH2-CD1 4.32Å; W200-L212 HydrophobicContact CZ3-CB 4.43Å; W200-L212 HydrophobicContact CZ3-CD1 3.94Å; T201-L212 PolarHBondContact O-N 3.29Å; T201-L212 VanDerWaalsContact O-N 3.12Å; L212-A216 WeakPolarHBondContact O-CB 3.13Å; L212-A216 PolarHBondContact O-N 2.8Å
213F95Very high85.5Confident4 Ų430.2 Ų30.22%0.01816%0.157CC..Hα-helixtrans-66.6-44.2-179.7159.6-102.9000110.8A122 R125 A126 V129 D211 A216 V217 T245 F248A122-F213 HydrophobicContact CB-CB 4.04Å; R125-F213 HydrophobicContact CB-CD2 3.9Å; R125-F213 HydrophobicContact CB-CE2 3.9Å; R125-F213 HydrophobicContact CG-CD2 3.92Å; R125-F213 HydrophobicContact CG-CE2 3.52Å; R125-F213 HydrophobicContact CG-CZ 4.25Å; A126-F213 HydrophobicContact CB-CD2 4.27Å; A126-F213 HydrophobicContact CB-CE2 4.45Å; V129-F213 HydrophobicContact CG2-CE2 3.95Å; V129-F213 HydrophobicContact CG2-CZ 3.88Å; D211-F213 VanDerWaalsContact C-N 3.28Å; D211-F213 PolarHBondContact O-N 3.44Å; D211-F213 WeakPolarHBondContact OD1-CA 3.49Å; D211-F213 VanDerWaalsContact OD1-CB 3.25Å; D211-F213 WeakPolarHBondContact OD1-CB 3.22Å; D211-F213 PolarHBondContact OD1-N 3.27Å; F213-A216 PolarHBondContact O-N 2.84Å; F213-V217 HydrophobicContact CD2-CG2 4.11Å; F213-V217 HydrophobicContact CE2-CG2 3.66Å; F213-V217 HydrophobicContact CZ-CG2 3.91Å; F213-V217 VanDerWaalsContact O-CG2 3.32Å; F213-V217 WeakPolarHBondContact O-CG2 3.5Å; F213-V217 PolarHBondContact O-N 3.09Å; F213-T245 HydrophobicContact CD1-CG2 4.01Å; F213-F248 HydrophobicContact CE1-CB 3.76Å; F213-F248 HydrophobicContact CE1-CD1 4.09Å; F213-F248 HydrophobicContact CE1-CD2 4.14Å; F213-F248 AromaticContact CE1-CG 3.72Å; F213-F248 HydrophobicContact CE1-CG 3.72Å; F213-F248 HydrophobicContact CZ-CB 3.97Å; F213-F248 AromaticContact CZ-CD1 3.8Å; F213-F248 HydrophobicContact CZ-CD1 3.8Å; F213-F248 HydrophobicContact CZ-CE1 4.5Å; F213-F248 AromaticContact CZ-CG 3.89Å; F213-F248 HydrophobicContact CZ-CG 3.89Å
214L90.8Very high86.6Confident2 Ų229.7 Ų29.71%0.0115%0.15CC..Hα-helixtrans-63.7-45.6177.7-64.4-179.6000112.2D211 A216 V217 H218 I235 Y240 M243 T245 F248D211-L214 HydrophobicContact CB-CB 4.34Å; D211-L214 HydrophobicContact CB-CD1 4.07Å; D211-L214 HydrophobicContact CB-CG 4.13Å; D211-L214 PolarHBondContact O-N 3.23Å; D211-L214 PolarHBondContact OD1-N 3.41Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-V217 PolarHBondContact O-N 3.39Å; L214-H218 PolarHBondContact O-N 3.1Å; L214-H218 VanDerWaalsContact O-N 3.13Å; L214-I235 HydrophobicContact CD2-CD1 4.5Å; L214-Y240 HydrophobicContact CB-CE2 4.26Å; L214-Y240 HydrophobicContact CD1-CE2 4.47Å; L214-M243 HydrophobicContact CD1-CB 4.14Å; L214-M243 VanDerWaalsContact CD1-N 3.27Å; L214-M243 HydrophobicContact CD2-CB 3.97Å; L214-T245 HydrophobicContact CD1-CG2 4.2Å; L214-T245 HydrophobicContact CD2-CG2 4.08Å; L214-T245 HydrophobicContact CG-CG2 3.98Å; L214-F248 HydrophobicContact CD2-CD2 3.78Å; L214-F248 HydrophobicContact CD2-CE2 3.65Å
215V95.3Very high87.6Confident6 Ų627.6 Ų27.64%0.03614%0.139CC..Hα-helixtrans-63.7-43.2176.8-179.40000110.2L178 A179 F194 W200 D211 V217 H218 E219 Y240L178-V215 HydrophobicContact CB-CG1 4.28Å; L178-V215 HydrophobicContact CD1-CG2 3.82Å; A179-V215 HydrophobicContact CB-CG1 3.62Å; F194-V215 HydrophobicContact CD1-CG1 4.2Å; F194-V215 HydrophobicContact CE1-CB 4.43Å; F194-V215 HydrophobicContact CE1-CG1 3.98Å; W200-V215 HydrophobicContact CH2-CB 4.22Å; W200-V215 HydrophobicContact CH2-CG1 4Å; W200-V215 HydrophobicContact CH2-CG2 4.32Å; W200-V215 HydrophobicContact CZ3-CB 3.91Å; W200-V215 HydrophobicContact CZ3-CG1 4.21Å; W200-V215 HydrophobicContact CZ3-CG2 3.83Å; D211-V215 WeakPolarHBondContact O-CG2 3.43Å; D211-V215 PolarHBondContact O-N 2.77Å; D211-V215 VanDerWaalsContact O-N 3.14Å; V215-V217 VanDerWaalsContact C-N 3.33Å; V215-V217 PolarHBondContact O-N 2.76Å; V215-H218 WeakPolarHBondContact O-CB 3.27Å; V215-H218 PolarHBondContact O-N 2.94Å; V215-H218 VanDerWaalsContact O-N 3.11Å; V215-E219 HydrophobicContact CG1-CG 4.04Å; V215-E219 WeakPolarHBondContact O-CG 3.29Å; V215-E219 PolarHBondContact O-N 2.91Å; V215-Y240 HydrophobicContact CG2-CD2 3.81Å; V215-Y240 HydrophobicContact CG2-CE2 3.89Å
216A97Very high88.9Confident1 Ų119 Ų191%0.00810%0.1CC..Hα-helixtrans-61.2-38.6176.600000113A126 F194 L212 F213 L214 H218 L220A126-A216 HydrophobicContact CB-CB 3.74Å; F194-A216 HydrophobicContact CE1-CB 4.01Å; F194-A216 HydrophobicContact CZ-CB 3.67Å; L212-A216 WeakPolarHBondContact O-CB 3.13Å; L212-A216 PolarHBondContact O-N 2.8Å; F213-A216 PolarHBondContact O-N 2.84Å; L214-A216 VanDerWaalsContact C-N 3.34Å; A216-H218 VanDerWaalsContact C-N 3.33Å; A216-H218 PolarHBondContact O-N 3.27Å; A216-L220 VanDerWaalsContact O-CB 3.27Å; A216-L220 WeakPolarHBondContact O-CB 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.34Å; A216-L220 PolarHBondContact O-N 3.21Å
217V96.7Very high89.8Confident0 Ų018.2 Ų18.20%09%0.093CC..Hα-helixtrans-61.2-44.5174.3173.50000110.6A126 V129 W130 F213 L214 V215 G221 I235 F248 L250A126-V217 HydrophobicContact CB-CG2 3.68Å; V129-V217 HydrophobicContact CB-CG2 4.39Å; V129-V217 HydrophobicContact CG1-CG1 4.05Å; V129-V217 HydrophobicContact CG1-CG2 4.37Å; V129-V217 HydrophobicContact CG2-CG2 4.31Å; W130-V217 HydrophobicContact CZ2-CG1 4.13Å; W130-V217 WeakPolarHBondContact CZ2-O 3.36Å; W130-V217 PolarHBondContact NE1-O 2.89Å; F213-V217 HydrophobicContact CD2-CG2 4.11Å; F213-V217 HydrophobicContact CE2-CG2 3.66Å; F213-V217 HydrophobicContact CZ-CG2 3.91Å; F213-V217 VanDerWaalsContact O-CG2 3.32Å; F213-V217 WeakPolarHBondContact O-CG2 3.5Å; F213-V217 PolarHBondContact O-N 3.09Å; L214-V217 PolarHBondContact O-N 3.39Å; V215-V217 VanDerWaalsContact C-N 3.33Å; V215-V217 PolarHBondContact O-N 2.76Å; V217-G221 PolarHBondContact O-N 3.46Å; V217-G221 VanDerWaalsContact O-N 3.15Å; V217-I235 HydrophobicContact CB-CG1 4.32Å; V217-I235 HydrophobicContact CG1-CG1 3.9Å; V217-I235 HydrophobicContact CG1-CG2 4.16Å; V217-F248 HydrophobicContact CG1-CE1 4.09Å; V217-F248 HydrophobicContact CG1-CZ 4.15Å; V217-F248 HydrophobicContact CG2-CE1 4.41Å; V217-L250 HydrophobicContact CG1-CD1 4.02Å
218H95.4Very high90.9Very high13 Ų1314.8 Ų14.86%0.067%0.072CC..Hα-helixtrans-60-55.3176.9-179.3105.5000111.7C72 L214 V215 A216 L220 G221 H222 H228 I235 M236 A237C72-H218 VanDerWaalsContact CB-NE2 3.33Å; C72-H218 WeakPolarHBondContact CB-NE2 3.45Å; L214-H218 PolarHBondContact O-N 3.1Å; L214-H218 VanDerWaalsContact O-N 3.13Å; V215-H218 WeakPolarHBondContact O-CB 3.27Å; V215-H218 PolarHBondContact O-N 2.94Å; V215-H218 VanDerWaalsContact O-N 3.11Å; A216-H218 VanDerWaalsContact C-N 3.33Å; A216-H218 PolarHBondContact O-N 3.27Å; H218-L220 VanDerWaalsContact C-N 3.33Å; H218-L220 PolarHBondContact O-N 3.02Å; H218-G221 WeakPolarHBondContact O-CA 3.39Å; H218-G221 PolarHBondContact O-N 3.48Å; H218-H222 AromaticContact CD2-CD2 3.85Å; H218-H222 AromaticContact CD2-NE2 3.78Å; H218-H222 AromaticContact NE2-CD2 3.75Å; H218-H222 AromaticContact NE2-NE2 3.18Å; H218-H222 PolarHBondContact NE2-NE2 2.88Å; H218-H222 VanDerWaalsContact NE2-NE2 3.18Å; H218-H222 PolarHBondContact O-N 2.66Å; H218-H228 AromaticContact CE1-CD2 3.61Å; H218-H228 AromaticContact CE1-NE2 3.7Å; H218-H228 AromaticContact NE2-CD2 3.54Å; H218-H228 AromaticContact NE2-NE2 3.3Å; H218-H228 PolarHBondContact NE2-NE2 2.92Å; H218-I235 HydrophobicContact CB-CG1 4.36Å; H218-I235 PolarHBondContact ND1-O 3.04Å; H218-M236 WeakPolarHBondContact O-CE 3.49Å; H218-A237 PolarHBondContact CE1-O 3.33Å; H218-A237 PolarHBondContact ND1-O 3.28Å
219E96.3Very high91.7Very high2 Ų26.1 Ų6.11%0.0093%0.032CC..Hα-helixtrans-64.5-37.9-175.9-60.1-49.3144.600112.2C72 A179 H180 A181 T192 F194 V215 G221 H222 A223C72-E219 PolarHBondContact SG-OE1 2.94Å; C72-E219 PolarHBondContact SG-OE2 3.08Å; C72-E219 VanDerWaalsContact SG-OE2 3.33Å; A179-E219 HydrophobicContact CB-CG 3.54Å; H180-E219 WeakPolarHBondContact CA-OE2 3.37Å; A181-E219 HydrophobicContact CB-CB 4.01Å; A181-E219 VanDerWaalsContact CB-O 3.22Å; A181-E219 WeakPolarHBondContact CB-O 3.42Å; A181-E219 PolarHBondContact N-OE2 2.84Å; A181-E219 VanDerWaalsContact N-OE2 3.1Å; T192-E219 HydrophobicContact CG2-CB 3.46Å; T192-E219 VanDerWaalsContact CG2-CB 3.46Å; T192-E219 HydrophobicContact CG2-CG 4.17Å; F194-E219 HydrophobicContact CE1-CG 4.42Å; V215-E219 HydrophobicContact CG1-CG 4.04Å; V215-E219 WeakPolarHBondContact O-CG 3.29Å; V215-E219 PolarHBondContact O-N 2.91Å; E219-G221 PolarHBondContact O-N 2.98Å; E219-H222 WeakPolarHBondContact O-CA 3.38Å; E219-H222 WeakPolarHBondContact O-CB 3.33Å; E219-H222 PolarHBondContact O-N 3.31Å; E219-H222 IonicContact OE2-CD2 3.2Å; E219-A223 PolarHBondContact O-N 3.43Å
220L97.1Very high91.6Very high2 Ų29.3 Ų9.31%0.015%0.054CC..Hα-helixtrans-64.4-27.5173-70178.3000112.1A126 F127 I156 I158 A216 H218 H222 A223 L224A126-L220 HydrophobicContact CB-CD1 3.76Å; F127-L220 HydrophobicContact CD1-CD1 3.93Å; F127-L220 HydrophobicContact CD1-CD2 4.48Å; F127-L220 HydrophobicContact CD2-CD1 3.87Å; F127-L220 HydrophobicContact CE1-CD1 3.98Å; F127-L220 HydrophobicContact CE1-CD2 3.72Å; F127-L220 HydrophobicContact CE1-CG 4.47Å; F127-L220 HydrophobicContact CE2-CD1 3.9Å; F127-L220 HydrophobicContact CE2-CD2 4.09Å; F127-L220 HydrophobicContact CG-CD1 3.89Å; F127-L220 HydrophobicContact CZ-CD1 3.97Å; F127-L220 HydrophobicContact CZ-CD2 3.49Å; F127-L220 VanDerWaalsContact CZ-CD2 3.49Å; F127-L220 HydrophobicContact CZ-CG 4.4Å; I156-L220 HydrophobicContact CG2-CD2 4.3Å; I158-L220 HydrophobicContact CD1-CD2 4.35Å; A216-L220 VanDerWaalsContact O-CB 3.27Å; A216-L220 WeakPolarHBondContact O-CB 3.26Å; A216-L220 WeakPolarHBondContact O-CG 3.34Å; A216-L220 PolarHBondContact O-N 3.21Å; H218-L220 VanDerWaalsContact C-N 3.33Å; H218-L220 PolarHBondContact O-N 3.02Å; L220-H222 VanDerWaalsContact C-N 3.31Å; L220-H222 PolarHBondContact O-N 2.9Å; L220-A223 HydrophobicContact CD2-CB 4.36Å; L220-A223 PolarHBondContact O-N 2.88Å; L220-L224 WeakPolarHBondContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.49Å; L220-L224 PolarHBondContact O-N 2.86Å
221G95.3Very high91.1Very high0 Ų011.5 Ų11.50%07%0.065CC..Hα-helixtrans-59.8-42.2169.900000112.1V217 H218 E219 L224 G225 L226V217-G221 PolarHBondContact O-N 3.46Å; V217-G221 VanDerWaalsContact O-N 3.15Å; H218-G221 WeakPolarHBondContact O-CA 3.39Å; H218-G221 PolarHBondContact O-N 3.48Å; E219-G221 PolarHBondContact O-N 2.98Å; G221-L224 CarbonylContact O-C 3.52Å; G221-L224 PolarHBondContact O-N 2.84Å; G221-G225 PolarHBondContact O-N 3.27Å; G221-G225 VanDerWaalsContact O-N 3.09Å; G221-L226 WeakPolarHBondContact O-CB 3.17Å; G221-L226 PolarHBondContact O-N 2.64Å
222H93.1Very high90.1Very high0 Ų014 Ų140%08%0.082CC..Hα-helixtrans-65-46.1171.2-68.9-43.9000112.1A181 F183 H218 E219 L220 L224 G225 L226 H228 M236A181-H222 HydrophobicContact CB-CB 3.95Å; F183-H222 HydrophobicContact CD1-CB 4.42Å; F183-H222 VanDerWaalsContact CD1-O 3.28Å; F183-H222 WeakPolarHBondContact CD1-O 3.32Å; F183-H222 HydrophobicContact CE1-CB 4.07Å; F183-H222 AromaticContact CE1-ND1 3.68Å; H218-H222 AromaticContact CD2-CD2 3.85Å; H218-H222 AromaticContact CD2-NE2 3.78Å; H218-H222 AromaticContact NE2-CD2 3.75Å; H218-H222 AromaticContact NE2-NE2 3.18Å; H218-H222 PolarHBondContact NE2-NE2 2.88Å; H218-H222 VanDerWaalsContact NE2-NE2 3.18Å; H218-H222 PolarHBondContact O-N 2.66Å; E219-H222 WeakPolarHBondContact O-CA 3.38Å; E219-H222 WeakPolarHBondContact O-CB 3.33Å; E219-H222 PolarHBondContact O-N 3.31Å; E219-H222 IonicContact OE2-CD2 3.2Å; L220-H222 VanDerWaalsContact C-N 3.31Å; L220-H222 PolarHBondContact O-N 2.9Å; H222-L224 PolarHBondContact O-N 3.02Å; H222-G225 WeakPolarHBondContact O-CA 3.45Å; H222-G225 PolarHBondContact O-N 2.93Å; H222-L226 PolarHBondContact ND1-O 2.77Å; H222-H228 AromaticContact CE1-CD2 3.41Å; H222-H228 PolarHBondContact CE1-CD2 2.86Å; H222-H228 VanDerWaalsContact CE1-CD2 3.41Å; H222-H228 AromaticContact CE1-NE2 3.72Å; H222-H228 AromaticContact NE2-CD2 3.37Å; H222-H228 PolarHBondContact NE2-CD2 3.14Å; H222-H228 AromaticContact NE2-NE2 3.22Å; H222-H228 PolarHBondContact NE2-NE2 3.27Å; H222-M236 WeakPolarHBondContact CE1-CE 3.05Å; H222-M236 WeakPolarHBondContact ND1-CE 3.3Å
223A94.4Very high89.2Confident0 Ų020 Ų200%011%0.113CC..Hα-helixtrans-57.3-23175.300000113W98 I156 A181 Y182 P184 G190 E219 L220W98-A223 PolarHBondContact NE1-O 3.26Å; I156-A223 HydrophobicContact CD1-CB 4.25Å; A181-A223 HydrophobicContact CB-CB 4.48Å; Y182-A223 WeakPolarHBondContact O-CA 3.33Å; P184-A223 WeakPolarHBondContact CD-O 3.44Å; P184-A223 WeakPolarHBondContact CG-O 3.44Å; G190-A223 VanDerWaalsContact O-CB 3.26Å; G190-A223 WeakPolarHBondContact O-CB 3.3Å; E219-A223 PolarHBondContact O-N 3.43Å; L220-A223 HydrophobicContact CD2-CB 4.36Å; L220-A223 PolarHBondContact O-N 2.88Å
224L94.8Very high88.6Confident2 Ų219.8 Ų19.81%0.0111%0.112CC..THydrogen-bonded Turntrans-96-6.5175-64.4176.9000114.2L103 W130 L136 F138 L220 G221 H222 I258 Y262L103-L224 HydrophobicContact CD1-CD2 3.85Å; W130-L224 HydrophobicContact CB-CD1 3.67Å; W130-L224 HydrophobicContact CD2-CD1 3.96Å; W130-L224 HydrophobicContact CE3-CD1 4.44Å; W130-L224 HydrophobicContact CG-CD1 3.61Å; L136-L224 HydrophobicContact CD1-CD1 4.39Å; L136-L224 HydrophobicContact CD1-CD2 3.64Å; F138-L224 HydrophobicContact CE1-CD2 3.95Å; F138-L224 HydrophobicContact CZ-CD1 4.1Å; F138-L224 HydrophobicContact CZ-CD2 3.86Å; L220-L224 WeakPolarHBondContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.49Å; L220-L224 PolarHBondContact O-N 2.86Å; G221-L224 CarbonylContact O-C 3.52Å; G221-L224 PolarHBondContact O-N 2.84Å; H222-L224 PolarHBondContact O-N 3.02Å; L224-I258 HydrophobicContact CB-CD1 3.78Å; L224-I258 HydrophobicContact CD1-CD1 4.22Å; L224-Y262 HydrophobicContact CB-CE2 4.15Å; L224-Y262 WeakPolarHBondContact O-CE2 3.47Å; L224-Y262 PolarHBondContact O-OH 2.94Å
225G88.7Confident88.4Confident0 Ų020.3 Ų20.30%012%0.115CC..THydrogen-bonded Turntrans107.28.3170.900000116T94 G221 H222T94-G225 PolarHBondContact N-O 2.81Å; T94-G225 PolarHBondContact OG1-O 2.93Å; G221-G225 PolarHBondContact O-N 3.27Å; G221-G225 VanDerWaalsContact O-N 3.09Å; H222-G225 WeakPolarHBondContact O-CA 3.45Å; H222-G225 PolarHBondContact O-N 2.93Å
226L89.9Confident88.2Confident4 Ų420.1 Ų20.12%0.02111%0.114CC..BIsolated β-bridgetrans-76.2140.5171.7-62174.2000110.9L93 W130 F183 G221 H222 M236 I258 I261L93-L226 HydrophobicContact CD2-CD2 4.07Å; W130-L226 HydrophobicContact CH2-CD1 3.34Å; W130-L226 HydrophobicContact CZ2-CD1 4.18Å; W130-L226 HydrophobicContact CZ3-CD1 3.71Å; F183-L226 WeakPolarHBondContact CE1-O 3.3Å; G221-L226 WeakPolarHBondContact O-CB 3.17Å; G221-L226 PolarHBondContact O-N 2.64Å; H222-L226 PolarHBondContact ND1-O 2.77Å; L226-M236 HydrophobicContact CB-CE 4.02Å; L226-M236 HydrophobicContact CB-CG 4.2Å; L226-M236 HydrophobicContact CB-SD 4.33Å; L226-M236 HydrophobicContact CD1-CG 3.9Å; L226-M236 HydrophobicContact CD1-SD 4.19Å; L226-I258 HydrophobicContact CD1-CB 4.22Å; L226-I258 HydrophobicContact CD1-CD1 4.07Å; L226-I258 HydrophobicContact CD2-CB 4.4Å; L226-I258 HydrophobicContact CD2-CD1 4.32Å; L226-I258 HydrophobicContact CG-CD1 4Å; L226-I261 HydrophobicContact CD2-CD1 3.92Å; L226-I261 HydrophobicContact CG-CD1 4.46Å
227E87.7Confident87.6Confident56 Ų5620.2 Ų20.226%0.26211%0.114SC..  trans-91.6176.6168.7-69.5177.8161.400110.6F78 A92 T94 S229F78-E227 HydrophobicContact CD2-CG 4.39Å; F78-E227 HydrophobicContact CE2-CG 4.01Å; A92-E227 VanDerWaalsContact CB-C 3.49Å; A92-E227 HydrophobicContact CB-CB 3.61Å; A92-E227 VanDerWaalsContact CB-O 3.23Å; A92-E227 WeakPolarHBondContact CB-O 3.32Å; A92-E227 PolarHBondContact O-N 3.19Å; T94-E227 WeakPolarHBondContact CA-OE1 3.38Å; T94-E227 HydrophobicContact CG2-CB 4.49Å; T94-E227 HydrophobicContact CG2-CG 3.23Å; E227-S229 PolarHBondContact O-N 3.41Å
228H87.1Confident87Confident9 Ų920.3 Ų20.34%0.04212%0.115CC..  trans-62.9131.1171.5-72.6155.7000112.4F50 R71 C72 V74 D76 A92 H218 H222 M236 P238F50-H228 HydrophobicContact CE1-CB 4.11Å; F50-H228 HydrophobicContact CZ-CB 3.82Å; R71-H228 PolarHBondContact NH2-CE1 3.21Å; C72-H228 WeakPolarHBondContact CB-NE2 3.28Å; V74-H228 PolarHBondContact O-CE1 3.02Å; D76-H228 IonicContact OD1-CE1 2.8Å; D76-H228 PolarHBondContact OD1-CE1 2.91Å; D76-H228 IonicContact OD1-CG 2.66Å; D76-H228 IonicContact OD1-ND1 3.11Å; D76-H228 PolarHBondContact OD1-ND1 3.08Å; A92-H228 WeakPolarHBondContact CB-O 3.46Å; H218-H228 AromaticContact CE1-CD2 3.61Å; H218-H228 AromaticContact CE1-NE2 3.7Å; H218-H228 AromaticContact NE2-CD2 3.54Å; H218-H228 AromaticContact NE2-NE2 3.3Å; H218-H228 PolarHBondContact NE2-NE2 2.92Å; H222-H228 AromaticContact CE1-CD2 3.41Å; H222-H228 PolarHBondContact CE1-CD2 2.86Å; H222-H228 VanDerWaalsContact CE1-CD2 3.41Å; H222-H228 AromaticContact CE1-NE2 3.72Å; H222-H228 AromaticContact NE2-CD2 3.37Å; H222-H228 PolarHBondContact NE2-CD2 3.14Å; H222-H228 AromaticContact NE2-NE2 3.22Å; H222-H228 PolarHBondContact NE2-NE2 3.27Å; H228-M236 CarbonylContact C-O 3.54Å; H228-M236 VanDerWaalsContact CA-O 3.23Å; H228-M236 WeakPolarHBondContact CA-O 3.04Å; H228-P238 HydrophobicContact CB-CB 4.42Å
229S82.1Confident86.4Confident8 Ų820.3 Ų20.36%0.05612%0.115CC..  trans-81.9143171.5-173.10000111E227 N231 M236 D253E227-S229 PolarHBondContact O-N 3.41Å; S229-N231 WeakPolarHBondContact OG-CB 3.5Å; S229-N231 PolarHBondContact OG-N 2.99Å; S229-M236 PolarHBondContact N-O 3.48Å; S229-D253 VanDerWaalsContact CB-OD2 3.31Å; S229-D253 WeakPolarHBondContact CB-OD2 3.5Å; S229-D253 PolarHBondContact OG-OD2 3.39Å
230S76.1Confident85.6Confident73 Ų7321.9 Ų21.951%0.5112%0.121SC..SBendtrans-82.4-3.7167.763.50000112.7P232S230-P232 WeakPolarHBondContact O-CD 3.07Å
231N74.4Confident84.5Confident58 Ų5824 Ų2431%0.3113%0.13SC..  trans-78.4115.8173.6178.15.7000108.4S229 L233 A234S229-N231 WeakPolarHBondContact OG-CB 3.5Å; S229-N231 PolarHBondContact OG-N 2.99Å; N231-L233 PolarHBondContact O-N 3.02Å; N231-L233 VanDerWaalsContact O-N 3.1Å; N231-L233 PolarHBondContact OD1-N 3.4Å; N231-A234 HydrophobicContact CB-CB 4.18Å; N231-A234 WeakPolarHBondContact O-CB 3.25Å; N231-A234 PolarHBondContact O-N 3.4Å; N231-A234 VanDerWaalsContact O-N 3.1Å
232P70.3Confident83.6Confident54 Ų5428 Ų2835%0.35115%0.146SC..THydrogen-bonded Turntrans-65-15.3-179.828.7-36.5000112.5S230 F239 Q241S230-P232 WeakPolarHBondContact O-CD 3.07Å; P232-F239 HydrophobicContact CB-CZ 3.79Å; P232-Q241 PolarHBondContact O-NE2 3.34Å; P232-Q241 PolarHBondContact O-OE1 3.14Å
233L75.1Confident82.8Confident125 Ų12529.6 Ų29.665%0.65415%0.154SC*.THydrogen-bonded Turntrans-93.9-0177.6-58.3177.8000113.7N231 P251N231-L233 PolarHBondContact O-N 3.02Å; N231-L233 VanDerWaalsContact O-N 3.1Å; N231-L233 PolarHBondContact OD1-N 3.4Å; L233-P251 WeakPolarHBondContact O-CG 3.09Å
234A83.5Confident81.7Confident1 Ų135.1 Ų35.11%0.00818%0.18CC..SBendtrans-79.7148.7176.400000110.8N231 M236 A237 D253 D254N231-A234 HydrophobicContact CB-CB 4.18Å; N231-A234 WeakPolarHBondContact O-CB 3.25Å; N231-A234 PolarHBondContact O-N 3.4Å; N231-A234 VanDerWaalsContact O-N 3.1Å; A234-M236 PolarHBondContact O-N 2.9Å; A234-A237 VanDerWaalsContact O-CB 3.29Å; A234-A237 WeakPolarHBondContact O-CB 3.31Å; A234-A237 PolarHBondContact O-N 3.19Å; A234-D253 HydrophobicContact CB-CB 4.25Å; A234-D254 VanDerWaalsContact CA-OD2 3.31Å; A234-D254 WeakPolarHBondContact CA-OD2 3.37Å; A234-D254 WeakPolarHBondContact CB-OD1 3.13Å; A234-D254 WeakPolarHBondContact CB-OD2 3.44Å
235I86.9Confident81Confident12 Ų1235.1 Ų35.16%0.06218%0.18CC..THydrogen-bonded Turntrans-66.4-31.9170.5-167.862000110.1L214 V217 H218 A237 M243 F248 L250 D254L214-I235 HydrophobicContact CD2-CD1 4.5Å; V217-I235 HydrophobicContact CB-CG1 4.32Å; V217-I235 HydrophobicContact CG1-CG1 3.9Å; V217-I235 HydrophobicContact CG1-CG2 4.16Å; H218-I235 HydrophobicContact CB-CG1 4.36Å; H218-I235 PolarHBondContact ND1-O 3.04Å; I235-A237 PolarHBondContact O-N 3.23Å; I235-M243 HydrophobicContact CB-CE 4.3Å; I235-M243 HydrophobicContact CD1-CE 3.95Å; I235-M243 HydrophobicContact CD1-SD 3.93Å; I235-F248 HydrophobicContact CB-CZ 4.49Å; I235-F248 HydrophobicContact CD1-CE2 4.47Å; I235-F248 HydrophobicContact CD1-CZ 4.39Å; I235-F248 HydrophobicContact CG1-CZ 4.3Å; I235-L250 HydrophobicContact CG2-CD1 4.35Å; I235-D254 HydrophobicContact CG2-CB 4.04Å; I235-D254 PolarHBondContact N-OD2 3.3Å
236M90.4Very high80.2Confident3 Ų340 Ų402%0.01521%0.205CC..THydrogen-bonded Turntrans-76.49.7174.6-61.4-53.4-55.900114.1W130 H218 H222 L226 H228 S229 A234 D254W130-M236 HydrophobicContact CZ2-SD 4.38Å; H218-M236 WeakPolarHBondContact O-CE 3.49Å; H222-M236 WeakPolarHBondContact CE1-CE 3.05Å; H222-M236 WeakPolarHBondContact ND1-CE 3.3Å; L226-M236 HydrophobicContact CB-CE 4.02Å; L226-M236 HydrophobicContact CB-CG 4.2Å; L226-M236 HydrophobicContact CB-SD 4.33Å; L226-M236 HydrophobicContact CD1-CG 3.9Å; L226-M236 HydrophobicContact CD1-SD 4.19Å; H228-M236 CarbonylContact C-O 3.54Å; H228-M236 VanDerWaalsContact CA-O 3.23Å; H228-M236 WeakPolarHBondContact CA-O 3.04Å; S229-M236 PolarHBondContact N-O 3.48Å; A234-M236 PolarHBondContact O-N 2.9Å; M236-D254 VanDerWaalsContact CB-OD1 3.26Å; M236-D254 WeakPolarHBondContact CB-OD1 3.3Å; M236-D254 WeakPolarHBondContact CG-OD1 3.26Å; M236-D254 PolarHBondContact N-OD1 2.93Å; M236-D254 VanDerWaalsContact N-OD1 3.08Å
237A84.1Confident79.5Confident2 Ų246 Ų462%0.01724%0.237CC..SBendtrans-62.8140.2168.900000109.6H218 A234 I235 F239H218-A237 PolarHBondContact CE1-O 3.33Å; H218-A237 PolarHBondContact ND1-O 3.28Å; A234-A237 VanDerWaalsContact O-CB 3.29Å; A234-A237 WeakPolarHBondContact O-CB 3.31Å; A234-A237 PolarHBondContact O-N 3.19Å; I235-A237 PolarHBondContact O-N 3.23Å; A237-F239 HydrophobicContact CB-CE1 4.36Å; A237-F239 PolarHBondContact O-N 3.48Å
238P84.6Confident79.3Confident2 Ų244.5 Ų44.51%0.01323%0.23CC..SBendtrans-64.8-30-17128.8-39.2000113.1F50 Y51 R71 C72 D76 H228F50-P238 HydrophobicContact CD1-CG 4.12Å; F50-P238 HydrophobicContact CE1-CB 4.46Å; F50-P238 HydrophobicContact CE1-CG 3.69Å; Y51-P238 HydrophobicContact CE2-CG 4.02Å; R71-P238 CarbonylContact C-O 3.59Å; R71-P238 VanDerWaalsContact CA-O 3.3Å; R71-P238 WeakPolarHBondContact CA-O 3.17Å; R71-P238 WeakPolarHBondContact CB-O 3.49Å; C72-P238 PolarHBondContact N-O 2.96Å; D76-P238 VanDerWaalsContact OD1-CB 3.3Å; D76-P238 WeakPolarHBondContact OD1-CB 3.36Å; H228-P238 HydrophobicContact CB-CB 4.42Å
239F81.6Confident79Confident13 Ų1351.9 Ų51.96%0.05727%0.265CS..BIsolated β-bridgetrans-93.9141.8-176.657-92.6000111Y51 P232 A237 Q241Y51-F239 HydrophobicContact CD1-CD1 4.11Å; Y51-F239 HydrophobicContact CE1-CB 4.49Å; Y51-F239 HydrophobicContact CE1-CD1 4.08Å; P232-F239 HydrophobicContact CB-CZ 3.79Å; A237-F239 HydrophobicContact CB-CE1 4.36Å; A237-F239 PolarHBondContact O-N 3.48Å; F239-Q241 HydrophobicContact CD2-CG 3.55Å; F239-Q241 HydrophobicContact CE2-CG 3.46Å; F239-Q241 VanDerWaalsContact CE2-CG 3.46Å; F239-Q241 PolarHBondContact O-N 3.13Å
240Y80.3Confident79.3Confident35 Ų3552 Ų5214%0.13727%0.265CS..  trans-63.2133.6178179.9-102.5000110.8R69 P70 L178 G209 D211 L214 V215R69-Y240 PolarHBondContact NH2-O 3.45Å; P70-Y240 WeakPolarHBondContact O-CB 3.38Å; P70-Y240 PolarHBondContact O-N 3.11Å; L178-Y240 HydrophobicContact CD1-CD2 3.85Å; L178-Y240 HydrophobicContact CD1-CG 3.82Å; G209-Y240 VanDerWaalsContact O-CE1 3.31Å; G209-Y240 WeakPolarHBondContact O-CE1 3.35Å; G209-Y240 PolarHBondContact O-OH 3.45Å; D211-Y240 WeakPolarHBondContact CB-OH 3.49Å; D211-Y240 PolarHBondContact N-OH 2.75Å; L214-Y240 HydrophobicContact CB-CE2 4.26Å; L214-Y240 HydrophobicContact CD1-CE2 4.47Å; V215-Y240 HydrophobicContact CG2-CD2 3.81Å; V215-Y240 HydrophobicContact CG2-CE2 3.89Å
241Q73.2Confident79.7Confident46 Ų4649.9 Ų49.922%0.21525%0.249CC..  trans-138.6127.6174.6-71.217487.500108.2P232 F239 M243P232-Q241 PolarHBondContact O-NE2 3.34Å; P232-Q241 PolarHBondContact O-OE1 3.14Å; F239-Q241 HydrophobicContact CD2-CG 3.55Å; F239-Q241 HydrophobicContact CE2-CG 3.46Å; F239-Q241 VanDerWaalsContact CE2-CG 3.46Å; F239-Q241 PolarHBondContact O-N 3.13Å; Q241-M243 PolarHBondContact O-N 3.31Å
242W76.3Confident80.1Confident85 Ų8551.7 Ų51.732%0.32226%0.259SS..  trans-66.1136171-17689.8000109.9N204 V207 E244N204-W242 HydrophobicContact CB-CZ2 4.19Å; N204-W242 VanDerWaalsContact OD1-CZ2 3.31Å; N204-W242 WeakPolarHBondContact OD1-CZ2 3.35Å; V207-W242 HydrophobicContact CB-CD2 4.44Å; V207-W242 HydrophobicContact CB-CG 4.47Å; V207-W242 HydrophobicContact CG1-CB 4.23Å; V207-W242 HydrophobicContact CG1-CD2 3.71Å; V207-W242 HydrophobicContact CG1-CE3 3.98Å; V207-W242 HydrophobicContact CG1-CG 3.81Å; V207-W242 HydrophobicContact CG2-CD2 4.46Å; V207-W242 HydrophobicContact CG2-CZ2 4.14Å; W242-E244 HydrophobicContact CH2-CB 4.1Å; W242-E244 HydrophobicContact CZ3-CB 4.49Å
243M77.3Confident80.7Confident33 Ų3350.3 Ų50.316%0.16325%0.249CC..  trans-129.7153.8172.8-58.4-170.8-17700108.5L214 I235 Q241 T245 F248L214-M243 HydrophobicContact CD1-CB 4.14Å; L214-M243 VanDerWaalsContact CD1-N 3.27Å; L214-M243 HydrophobicContact CD2-CB 3.97Å; I235-M243 HydrophobicContact CB-CE 4.3Å; I235-M243 HydrophobicContact CD1-CE 3.95Å; I235-M243 HydrophobicContact CD1-SD 3.93Å; Q241-M243 PolarHBondContact O-N 3.31Å; M243-T245 WeakPolarHBondContact O-CG2 3.11Å; M243-T245 PolarHBondContact O-N 3.45Å; M243-F248 HydrophobicContact CB-CD2 4.35Å; M243-F248 HydrophobicContact CB-CE2 4.2Å; M243-F248 HydrophobicContact SD-CE2 3.78Å
244E71.3Confident81.3Confident117 Ų11744.6 Ų44.655%0.54722%0.219SC..  trans-63.8120.5177.1-174.2174.4-157.900110.3W242W242-E244 HydrophobicContact CH2-CB 4.1Å; W242-E244 HydrophobicContact CZ3-CB 4.49Å
245T80.1Confident81.6Confident2 Ų248 Ų481%0.01223%0.231CC..  trans-88.2-34-170.960.40000112.8R125 N204 F213 L214 M243 N247 F248R125-T245 PolarHBondContact NH1-O 3.09Å; R125-T245 PolarHBondContact NH2-O 3.5Å; N204-T245 PolarHBondContact OD1-N 3.38Å; N204-T245 VanDerWaalsContact OD1-N 3.1Å; N204-T245 PolarHBondContact OD1-OG1 2.96Å; F213-T245 HydrophobicContact CD1-CG2 4.01Å; L214-T245 HydrophobicContact CD1-CG2 4.2Å; L214-T245 HydrophobicContact CD2-CG2 4.08Å; L214-T245 HydrophobicContact CG-CG2 3.98Å; M243-T245 WeakPolarHBondContact O-CG2 3.11Å; M243-T245 PolarHBondContact O-N 3.45Å; T245-N247 PolarHBondContact O-N 3.39Å; T245-F248 WeakPolarHBondContact O-CB 3.39Å; T245-F248 PolarHBondContact O-N 2.99Å
246D71.6Confident81.6Confident101 Ų10150.8 Ų50.854%0.5424%0.244SC..THydrogen-bonded Turntrans-58.5-45-172.9-69.3-29.7000113.3R125 N204R125-D246 PolarHBondContact NH2-O 3.21Å; N204-D246 VanDerWaalsContact ND2-CG 3.34Å; N204-D246 PolarHBondContact ND2-OD2 3.42Å
247N75.6Confident81.5Confident130 Ų13050.7 Ų50.770%0.69524%0.244SC*.THydrogen-bonded Turntrans-115.238.3177.9-67.8-44.4000112.3T245 Q249T245-N247 PolarHBondContact O-N 3.39Å; N247-Q249 PolarHBondContact O-N 3.11Å
248F82.8Confident82Confident26 Ų2650.6 Ų50.611%0.11424%0.243CC..  trans-54.3125.8-176-177.1-93.7000112.2V129 F213 L214 V217 I235 M243 T245 L250V129-F248 HydrophobicContact CG1-CD1 4.3Å; V129-F248 HydrophobicContact CG1-CE1 3.88Å; V129-F248 HydrophobicContact CG2-CD1 3.98Å; V129-F248 HydrophobicContact CG2-CE1 4.31Å; F213-F248 HydrophobicContact CE1-CB 3.76Å; F213-F248 HydrophobicContact CE1-CD1 4.09Å; F213-F248 HydrophobicContact CE1-CD2 4.14Å; F213-F248 AromaticContact CE1-CG 3.72Å; F213-F248 HydrophobicContact CE1-CG 3.72Å; F213-F248 HydrophobicContact CZ-CB 3.97Å; F213-F248 AromaticContact CZ-CD1 3.8Å; F213-F248 HydrophobicContact CZ-CD1 3.8Å; F213-F248 HydrophobicContact CZ-CE1 4.5Å; F213-F248 AromaticContact CZ-CG 3.89Å; F213-F248 HydrophobicContact CZ-CG 3.89Å; L214-F248 HydrophobicContact CD2-CD2 3.78Å; L214-F248 HydrophobicContact CD2-CE2 3.65Å; V217-F248 HydrophobicContact CG1-CE1 4.09Å; V217-F248 HydrophobicContact CG1-CZ 4.15Å; V217-F248 HydrophobicContact CG2-CE1 4.41Å; I235-F248 HydrophobicContact CB-CZ 4.49Å; I235-F248 HydrophobicContact CD1-CE2 4.47Å; I235-F248 HydrophobicContact CD1-CZ 4.39Å; I235-F248 HydrophobicContact CG1-CZ 4.3Å; M243-F248 HydrophobicContact CB-CD2 4.35Å; M243-F248 HydrophobicContact CB-CE2 4.2Å; M243-F248 HydrophobicContact SD-CE2 3.78Å; T245-F248 WeakPolarHBondContact O-CB 3.39Å; T245-F248 PolarHBondContact O-N 2.99Å; F248-L250 HydrophobicContact CE1-CD1 4.27Å
249Q81.3Confident82.3Confident163 Ų16352.3 Ų52.376%0.76225%0.251SS*.  trans-121.9136.9171.4-67-173.713.600109.2N247 P251N247-Q249 PolarHBondContact O-N 3.11Å; Q249-P251 WeakPolarHBondContact O-CD 3.32Å
250L87.6Confident82.7Confident12 Ų1257 Ų576%0.06327%0.273CS..  trans-64.1125.6179.6-149.898.3000109.7V129 W130 V133 V217 I235 F248 D254 R255V129-L250 HydrophobicContact CG1-CD1 3.27Å; V129-L250 HydrophobicContact CG1-CG 4.49Å; W130-L250 HydrophobicContact CD2-CD1 4.39Å; W130-L250 HydrophobicContact CE3-CD1 4.17Å; W130-L250 HydrophobicContact CE3-CD2 4.07Å; W130-L250 HydrophobicContact CH2-CD1 3.85Å; W130-L250 HydrophobicContact CH2-CD2 3.84Å; W130-L250 HydrophobicContact CH2-CG 4.39Å; W130-L250 HydrophobicContact CZ2-CD1 4.06Å; W130-L250 HydrophobicContact CZ3-CD1 3.91Å; W130-L250 HydrophobicContact CZ3-CD2 3.4Å; W130-L250 VanDerWaalsContact CZ3-CD2 3.4Å; W130-L250 HydrophobicContact CZ3-CG 4.3Å; V133-L250 HydrophobicContact CG2-CD2 4.33Å; V217-L250 HydrophobicContact CG1-CD1 4.02Å; I235-L250 HydrophobicContact CG2-CD1 4.35Å; F248-L250 HydrophobicContact CE1-CD1 4.27Å; L250-D254 HydrophobicContact CD2-CB 3.57Å; L250-D254 HydrophobicContact CG-CB 3.95Å; L250-R255 HydrophobicContact CD2-CB 4.01Å; L250-R255 PolarHBondContact O-NH1 3.26Å
251P85.4Confident83.1Confident27 Ų2756.3 Ų56.318%0.17527%0.272CS..  trans-57.2153.3178.6-2331.9000112.3L233 Q249 D253 D254 R255L233-P251 WeakPolarHBondContact O-CG 3.09Å; Q249-P251 WeakPolarHBondContact O-CD 3.32Å; P251-D253 PolarHBondContact O-N 3.06Å; P251-D254 VanDerWaalsContact CB-OD2 3.28Å; P251-D254 WeakPolarHBondContact CB-OD2 3.13Å; P251-D254 WeakPolarHBondContact CD-OD2 3.24Å; P251-D254 WeakPolarHBondContact CG-OD2 3.44Å; P251-D254 PolarHBondContact O-N 2.81Å; P251-R255 PolarHBondContact O-N 2.73Å
252D83Confident84Confident96 Ų9655.1 Ų55.151%0.51327%0.265SS..Hα-helixtrans-58.2-34.1-173.1-80.24.5000113.7R255 Q256D252-R255 VanDerWaalsContact CG-NH2 3.31Å; D252-R255 IonicContact OD1-CZ 3.03Å; D252-R255 IonicContact OD1-NH1 2.59Å; D252-R255 PolarHBondContact OD1-NH1 2.91Å; D252-R255 IonicContact OD1-NH2 2.87Å; D252-R255 PolarHBondContact OD1-NH2 2.83Å; D252-R255 IonicContact OD2-NH2 3.26Å; D252-Q256 VanDerWaalsContact O-CB 3.32Å; D252-Q256 WeakPolarHBondContact O-CB 3.28Å; D252-Q256 WeakPolarHBondContact O-CG 3.47Å; D252-Q256 PolarHBondContact O-N 3.47Å; D252-Q256 PolarHBondContact O-NE2 2.81Å
253D81.8Confident84.7Confident26 Ų2652.4 Ų52.414%0.13926%0.264CS..Hα-helixtrans-65.5-48.8178.8-170.960.1000111.1Y91 S229 A234 P251 Q256 G257Y91-D253 WeakPolarHBondContact CD1-O 3.49Å; S229-D253 VanDerWaalsContact CB-OD2 3.31Å; S229-D253 WeakPolarHBondContact CB-OD2 3.5Å; S229-D253 PolarHBondContact OG-OD2 3.39Å; A234-D253 HydrophobicContact CB-CB 4.25Å; P251-D253 PolarHBondContact O-N 3.06Å; D253-Q256 PolarHBondContact O-N 3.08Å; D253-G257 PolarHBondContact O-N 2.62Å
254D87.8Confident85.2Confident4 Ų456.2 Ų56.22%0.02128%0.281CS..Hα-helixtrans-68-40.3-179.9-49.6-68.6000111.1W130 A234 I235 M236 L250 P251 Q256 G257 I258W130-D254 HydrophobicContact CH2-CB 4.34Å; A234-D254 VanDerWaalsContact CA-OD2 3.31Å; A234-D254 WeakPolarHBondContact CA-OD2 3.37Å; A234-D254 WeakPolarHBondContact CB-OD1 3.13Å; A234-D254 WeakPolarHBondContact CB-OD2 3.44Å; I235-D254 HydrophobicContact CG2-CB 4.04Å; I235-D254 PolarHBondContact N-OD2 3.3Å; M236-D254 VanDerWaalsContact CB-OD1 3.26Å; M236-D254 WeakPolarHBondContact CB-OD1 3.3Å; M236-D254 WeakPolarHBondContact CG-OD1 3.26Å; M236-D254 PolarHBondContact N-OD1 2.93Å; M236-D254 VanDerWaalsContact N-OD1 3.08Å; L250-D254 HydrophobicContact CD2-CB 3.57Å; L250-D254 HydrophobicContact CG-CB 3.95Å; P251-D254 VanDerWaalsContact CB-OD2 3.28Å; P251-D254 WeakPolarHBondContact CB-OD2 3.13Å; P251-D254 WeakPolarHBondContact CD-OD2 3.24Å; P251-D254 WeakPolarHBondContact CG-OD2 3.44Å; P251-D254 PolarHBondContact O-N 2.81Å; D254-Q256 PolarHBondContact O-N 2.9Å; D254-G257 PolarHBondContact O-N 2.87Å; D254-I258 WeakPolarHBondContact O-CG2 3.33Å; D254-I258 PolarHBondContact O-N 3Å
255R91.3Very high85.7Confident73 Ų7353.3 Ų53.328%0.27527%0.272SS..Hα-helixtrans-64.4-43.3179.6-173.3176.667.1-107.10.8111V133 L250 P251 D252 I258 Q259V133-R255 HydrophobicContact CB-CG 4.26Å; V133-R255 HydrophobicContact CG1-CG 4.3Å; L250-R255 HydrophobicContact CD2-CB 4.01Å; L250-R255 PolarHBondContact O-NH1 3.26Å; P251-R255 PolarHBondContact O-N 2.73Å; D252-R255 VanDerWaalsContact CG-NH2 3.31Å; D252-R255 IonicContact OD1-CZ 3.03Å; D252-R255 IonicContact OD1-NH1 2.59Å; D252-R255 PolarHBondContact OD1-NH1 2.91Å; D252-R255 IonicContact OD1-NH2 2.87Å; D252-R255 PolarHBondContact OD1-NH2 2.83Å; D252-R255 IonicContact OD2-NH2 3.26Å; R255-I258 WeakPolarHBondContact O-CG2 3.49Å; R255-Q259 VanDerWaalsContact O-CB 3.32Å; R255-Q259 WeakPolarHBondContact O-CB 3.37Å; R255-Q259 WeakPolarHBondContact O-CG 3.25Å; R255-Q259 PolarHBondContact O-N 2.91Å
256Q87.3Confident85Confident70 Ų7059.8 Ų59.833%0.32731%0.307SS..Hα-helixtrans-70.2-39.2176.2-72.6169.76700111.2Y91 D252 D253 D254 Q259 Q260Y91-Q256 HydrophobicContact CD1-CB 4.06Å; Y91-Q256 HydrophobicContact CE1-CB 3.28Å; Y91-Q256 HydrophobicContact CE1-CG 4.31Å; Y91-Q256 PolarHBondContact OH-OE1 2.64Å; D252-Q256 VanDerWaalsContact O-CB 3.32Å; D252-Q256 WeakPolarHBondContact O-CB 3.28Å; D252-Q256 WeakPolarHBondContact O-CG 3.47Å; D252-Q256 PolarHBondContact O-N 3.47Å; D252-Q256 PolarHBondContact O-NE2 2.81Å; D253-Q256 PolarHBondContact O-N 3.08Å; D254-Q256 PolarHBondContact O-N 2.9Å; Q256-Q259 PolarHBondContact O-N 3.06Å; Q256-Q260 WeakPolarHBondContact O-CG 3.37Å; Q256-Q260 PolarHBondContact O-N 2.8Å
257G87.9Confident84.3Confident2 Ų258.4 Ų58.42%0.02132%0.317CS..Hα-helixtrans-56.5-52.7175.800000112.1D253 D254 Q259 Q260 I261D253-G257 PolarHBondContact O-N 2.62Å; D254-G257 PolarHBondContact O-N 2.87Å; G257-Q259 VanDerWaalsContact C-N 3.34Å; G257-Q259 PolarHBondContact O-N 3.35Å; G257-Q260 WeakPolarHBondContact O-CB 3.32Å; G257-Q260 PolarHBondContact O-N 2.92Å; G257-Q260 VanDerWaalsContact O-N 3.16Å; G257-I261 PolarHBondContact O-N 2.78Å
258I93.3Very high82.5Confident0 Ų057.5 Ų57.50%032%0.316CS..Hα-helixtrans-68.3-35.7-177.3-162.267.5000112.2W130 V133 T134 L224 L226 D254 R255 Q260 I261 Y262W130-I258 HydrophobicContact CE3-CB 4.11Å; W130-I258 HydrophobicContact CE3-CD1 4.35Å; W130-I258 HydrophobicContact CE3-CG1 3.86Å; W130-I258 HydrophobicContact CE3-CG2 4.07Å; W130-I258 HydrophobicContact CZ3-CB 3.74Å; W130-I258 HydrophobicContact CZ3-CD1 4.35Å; W130-I258 HydrophobicContact CZ3-CG1 3.95Å; W130-I258 HydrophobicContact CZ3-CG2 3.83Å; V133-I258 HydrophobicContact CG2-CG2 3.98Å; T134-I258 HydrophobicContact CG2-CB 4.27Å; T134-I258 HydrophobicContact CG2-CG1 3.44Å; T134-I258 VanDerWaalsContact CG2-CG1 3.44Å; T134-I258 HydrophobicContact CG2-CG2 3.84Å; L224-I258 HydrophobicContact CB-CD1 3.78Å; L224-I258 HydrophobicContact CD1-CD1 4.22Å; L226-I258 HydrophobicContact CD1-CB 4.22Å; L226-I258 HydrophobicContact CD1-CD1 4.07Å; L226-I258 HydrophobicContact CD2-CB 4.4Å; L226-I258 HydrophobicContact CD2-CD1 4.32Å; L226-I258 HydrophobicContact CG-CD1 4Å; D254-I258 WeakPolarHBondContact O-CG2 3.33Å; D254-I258 PolarHBondContact O-N 3Å; R255-I258 WeakPolarHBondContact O-CG2 3.49Å; I258-Q260 VanDerWaalsContact C-N 3.26Å; I258-Q260 PolarHBondContact O-N 3.05Å; I258-I261 HydrophobicContact CD1-CD1 4.49Å; I258-I261 PolarHBondContact O-N 2.9Å; I258-Y262 HydrophobicContact CD1-CD2 3.67Å; I258-Y262 HydrophobicContact CD1-CE2 3.67Å; I258-Y262 HydrophobicContact CG1-CD2 3.96Å; I258-Y262 HydrophobicContact CG1-CE2 4.46Å; I258-Y262 PolarHBondContact O-N 3.31Å
259Q92.8Very high80.6Confident38 Ų3861.7 Ų61.718%0.17835%0.346CS..Hα-helixtrans-69.5-22.8176.1-71.9177.8-2.300112.7V133 R255 Q256 G257 I261 G263 Q264V133-Q259 WeakPolarHBondContact O-CG 3.28Å; V133-Q259 PolarHBondContact O-NE2 2.81Å; R255-Q259 VanDerWaalsContact O-CB 3.32Å; R255-Q259 WeakPolarHBondContact O-CB 3.37Å; R255-Q259 WeakPolarHBondContact O-CG 3.25Å; R255-Q259 PolarHBondContact O-N 2.91Å; Q256-Q259 PolarHBondContact O-N 3.06Å; G257-Q259 VanDerWaalsContact C-N 3.34Å; G257-Q259 PolarHBondContact O-N 3.35Å; Q259-I261 VanDerWaalsContact C-N 3.29Å; Q259-G263 WeakPolarHBondContact O-CA 3.42Å; Q259-G263 PolarHBondContact O-N 2.95Å; Q259-Q264 HydrophobicContact CG-CG 4.32Å
260Q89.3Confident78.7Confident111 Ų11160.5 Ų60.552%0.51935%0.35SS..Hα-helixtrans-70.3-27168.9-74-166.1-000113Y91 L93 Q256 G257 I258Y91-Q260 HydrophobicContact CD2-CG 4.41Å; Y91-Q260 VanDerWaalsContact CD2-NE2 3.25Å; Y91-Q260 VanDerWaalsContact CD2-OE1 3.24Å; L93-Q260 HydrophobicContact CD1-CB 4.16Å; Q256-Q260 WeakPolarHBondContact O-CG 3.37Å; Q256-Q260 PolarHBondContact O-N 2.8Å; G257-Q260 WeakPolarHBondContact O-CB 3.32Å; G257-Q260 PolarHBondContact O-N 2.92Å; G257-Q260 VanDerWaalsContact O-N 3.16Å; I258-Q260 VanDerWaalsContact C-N 3.26Å; I258-Q260 PolarHBondContact O-N 3.05Å
261I88.7Confident76.3Confident20 Ų2068.5 Ų68.510%0.10339%0.387CS..Hα-helixtrans-82.2-52.3176.7-54.9180000110.2L93 K97 L226 G257 I258 Q259L93-I261 HydrophobicContact CD2-CD1 3.68Å; L93-I261 HydrophobicContact CD2-CG1 3.54Å; K97-I261 HydrophobicContact CB-CG2 3.8Å; K97-I261 HydrophobicContact CD-CG2 3.65Å; K97-I261 WeakPolarHBondContact CD-O 3.42Å; K97-I261 VanDerWaalsContact CE-O 3.26Å; K97-I261 WeakPolarHBondContact CE-O 3.4Å; K97-I261 HydrophobicContact CG-CG2 3.58Å; K97-I261 PolarHBondContact NZ-O 3.2Å; L226-I261 HydrophobicContact CD2-CD1 3.92Å; L226-I261 HydrophobicContact CG-CD1 4.46Å; G257-I261 PolarHBondContact O-N 2.78Å; I258-I261 HydrophobicContact CD1-CD1 4.49Å; I258-I261 PolarHBondContact O-N 2.9Å; Q259-I261 VanDerWaalsContact C-N 3.29Å
262Y92.3Very high74Confident22 Ų2271.4 Ų71.49%0.08641%0.413CS..Hα-helixtrans-108.8-14.7-167.8-61.7-74.6000115K97 W98 P135 L136 L224 I258K97-Y262 HydrophobicContact CD-CD1 4.5Å; K97-Y262 HydrophobicContact CD-CE1 4.27Å; K97-Y262 HydrophobicContact CG-CD1 4.4Å; K97-Y262 HydrophobicContact CG-CE1 3.7Å; W98-Y262 HydrophobicContact CB-CE1 4.17Å; W98-Y262 PolarHBondContact N-OH 3.38Å; P135-Y262 WeakPolarHBondContact CD-O 3.38Å; P135-Y262 WeakPolarHBondContact CG-O 3.3Å; L136-Y262 HydrophobicContact CD1-CD1 3.98Å; L136-Y262 HydrophobicContact CD1-CD2 3.87Å; L136-Y262 HydrophobicContact CD1-CE1 4.03Å; L136-Y262 HydrophobicContact CD1-CE2 3.92Å; L136-Y262 HydrophobicContact CD1-CG 3.91Å; L136-Y262 HydrophobicContact CD2-CD1 3.6Å; L136-Y262 HydrophobicContact CD2-CE1 3.9Å; L136-Y262 HydrophobicContact CD2-CG 4.15Å; L136-Y262 HydrophobicContact CG-CD1 4Å; L136-Y262 HydrophobicContact CG-CD2 4.47Å; L136-Y262 HydrophobicContact CG-CE1 4.42Å; L136-Y262 HydrophobicContact CG-CG 4.03Å; L224-Y262 HydrophobicContact CB-CE2 4.15Å; L224-Y262 WeakPolarHBondContact O-CE2 3.47Å; L224-Y262 PolarHBondContact O-OH 2.94Å; I258-Y262 HydrophobicContact CD1-CD2 3.67Å; I258-Y262 HydrophobicContact CD1-CE2 3.67Å; I258-Y262 HydrophobicContact CG1-CD2 3.96Å; I258-Y262 HydrophobicContact CG1-CE2 4.46Å; I258-Y262 PolarHBondContact O-N 3.31Å
263G90.3Very high71.8Confident28 Ų2874.1 Ų74.129%0.28943%0.427SS..  trans87.7-179.6-173.300000113.2P135 Q259P135-G263 WeakPolarHBondContact CD-O 2.98Å; Q259-G263 WeakPolarHBondContact O-CA 3.42Å; Q259-G263 PolarHBondContact O-N 2.95Å
264Q89.1Confident69.6Low113 Ų11378.7 Ų78.753%0.52846%0.458SS..  trans-84.5152.2176.6-68.2-176.3-4.100111.5Q259 N266Q259-Q264 HydrophobicContact CG-CG 4.32Å; Q264-N266 VanDerWaalsContact C-N 3.3Å; Q264-N266 PolarHBondContact O-N 3.22Å
265P80.3Confident67.2Low55 Ų5584.6 Ų84.636%0.35749%0.494SS..SBendtrans-59.1-38.6-178.2-20.829.1000113.5V133V133-P265 VanDerWaalsContact C-CG 3.46Å; V133-P265 WeakPolarHBondContact O-CD 3.33Å
266N66.8Low64.7Low138 Ų13887 Ų8774%0.73852%0.517SS*.SBendtrans-99.796.9178-63.4-23.9000107.4Q264 V268Q264-N266 VanDerWaalsContact C-N 3.3Å; Q264-N266 PolarHBondContact O-N 3.22Å; N266-V268 VanDerWaalsContact C-N 3.31Å; N266-V268 PolarHBondContact O-N 2.9Å
267G55Low62.2Low73 Ų7389.4 Ų89.475%0.75354%0.538SS*.  trans-55.887.2-178.500000113.2
268V39.6Very low59.8Low111 Ų11193.8 Ų93.867%0.67358%0.575SS**  trans-87.2115.4148.8-172.70000104.3N266 T270N266-V268 VanDerWaalsContact C-N 3.31Å; N266-V268 PolarHBondContact O-N 2.9Å; V268-T270 PolarHBondContact O-N 3.23Å
269P41.8Very low57.1Low114 Ų114105.5 Ų105.574%0.7462%0.619SS**  trans-56.8115.6172.6-15.727.2000106.8Q271P269-Q271 VanDerWaalsContact C-N 3.27Å; P269-Q271 PolarHBondContact O-N 2.9Å
270T41.3Very low54.5Low138 Ų138114.8 Ų114.885%0.84765%0.652SS**  trans-60.3100.8171-38.10000106.1V268 A272V268-T270 PolarHBondContact O-N 3.23Å; T270-A272 PolarHBondContact O-N 2.94Å; T270-A272 VanDerWaalsContact O-N 3.09Å
271Q37.7Very low52.4Low179 Ų179115 Ų11584%0.83666%0.664SS**PPolyproline II helixtrans-54.2120.2175-160168.7800106.1P269 L273P269-Q271 VanDerWaalsContact C-N 3.27Å; P269-Q271 PolarHBondContact O-N 2.9Å; Q271-L273 PolarHBondContact O-N 2.81Å; Q271-L273 VanDerWaalsContact O-N 3.11Å
272A35.9Very low50.1Low89 Ų89122.8 Ų122.874%0.73670%0.7SS**PPolyproline II helixtrans-50.2125.8174.200000107.7T270T270-A272 PolarHBondContact O-N 2.94Å; T270-A272 VanDerWaalsContact O-N 3.09Å
273L37.4Very low47.6Very low153 Ų153127.7 Ų127.780%0.80173%0.734SS**PPolyproline II helixtrans-46.2136.7171.8-81148.6000108.7Q271 T275Q271-L273 PolarHBondContact O-N 2.81Å; Q271-L273 VanDerWaalsContact O-N 3.11Å; L273-T275 PolarHBondContact O-N 3.48Å
274P35.4Very low45.3Very low122 Ų122137.5 Ų137.579%0.79276%0.762SS**  trans-61104.5179.323-30.8000109.1V276P274-V276 PolarHBondContact O-N 3Å; P274-V276 VanDerWaalsContact O-N 3.16Å
275T37.5Very low43Very low128 Ų128137.6 Ų137.679%0.78577%0.772SS**  trans-63.1113.9171-54.90000107.7L273L273-T275 PolarHBondContact O-N 3.48Å
276V38.7Very low41.1Very low122 Ų122141 Ų14174%0.73980%0.795SS**PPolyproline II helixtrans-50.6130.6165.2-179.40000108P274 A278P274-V276 PolarHBondContact O-N 3Å; P274-V276 VanDerWaalsContact O-N 3.16Å; V276-A278 PolarHBondContact O-N 3.48Å
277P34.7Very low39.8Very low121 Ų121143.6 Ų143.679%0.78680%0.802SS**PPolyproline II helixtrans-61.1117.3-17420.9-29.6000110.5
278A38.4Very low39Very low95 Ų95147.3 Ų147.379%0.78581%0.805SS**PPolyproline II helixtrans-65.3131.9172.300000109.8V276 R280V276-A278 PolarHBondContact O-N 3.48Å; A278-R280 PolarHBondContact O-N 2.98Å
279R37Very low39Very low246 Ų246147.5 Ų147.593%0.92881%0.808SS**PPolyproline II helixtrans-63.4123.1178.5-153.2175.9-173.5-178.51.5109.6P281R279-P281 WeakPolarHBondContact O-CD 3.23Å
280R37.3Very low38.8Very low232 Ų232148 Ų14888%0.87581%0.811SS**PPolyproline II helixtrans-58.6126.4-179.1-164.8-179.2-162.9-176.84.7112.3A278A278-R280 PolarHBondContact O-N 2.98Å
281P45.2Very low38.6Very low117 Ų117152.3 Ų152.376%0.7681%0.812SS**PPolyproline II helixtrans-86.5146156.6-5.324.1000110.6R279R279-P281 WeakPolarHBondContact O-CD 3.23Å
282E40.1Very low38.5Very low183 Ų183149.6 Ų149.686%0.85581%0.81SS**PPolyproline II helixtrans-62158.2-178.1-76.5179.9146.400114.7
283P40.6Very low38.4Very low124 Ų124156.2 Ų156.281%0.80582%0.816SS**PPolyproline II helixtrans-79.7132-175.62.815.6000111.7
284R41.1Very low38.4Very low235 Ų235155.4 Ų155.489%0.88782%0.818SS**PPolyproline II helixtrans-88.1155.2161.5-70.4-174.8-169.6-151.51.7110.6
285P41Very low38.5Very low114 Ų114155.7 Ų155.774%0.7482%0.818SS**PPolyproline II helixtrans-70156.5-173.9-11.426.9000112.9
286P41.6Very low38.6Very low127 Ų127157 Ų15783%0.82582%0.82SS**PPolyproline II helixtrans-74.9128.7-173.729.3-31.5000111.7
287Q38.2Very low38.3Very low192 Ų192162.1 Ų162.190%0.89783%0.826SS**PPolyproline II helixtrans-94.6134.4160.5-78.4-177.3-1100109.3
288N37.8Very low38.8Very low151 Ų151161.5 Ų161.581%0.80782%0.822SS**PPolyproline II helixtrans-56143-179.1-70.2-27.8000112.2
289P40.3Very low38.8Very low115 Ų115164.2 Ų164.275%0.74782%0.823SS**PPolyproline II helixtrans-69.2133.1177.827-31.1000110.4R291P289-R291 PolarHBondContact O-N 2.66Å
290P38.2Very low39.3Very low124 Ų124160.8 Ų160.881%0.80582%0.817SS**PPolyproline II helixtrans-64.7133.9165.7-13.627.6000109.3
291R36.9Very low40.1Very low230 Ų230157.1 Ų157.187%0.86881%0.805SS**  trans-41.4139.3167.8-116.6175.1176.7-164.4-1.6110.9P289 R293P289-R291 PolarHBondContact O-N 2.66Å; R291-R293 PolarHBondContact O-N 2.88Å
292P35.2Very low41.1Very low122 Ų122152.9 Ų152.979%0.79278%0.782SS**  trans-61.5113.1172.425.5-31.3000108.5T294P292-T294 PolarHBondContact O-N 3.03Å
293R34.6Very low43.1Very low227 Ų227145.5 Ų145.586%0.85775%0.75SS**  trans-65.8122.1156.7-80-178.2174.7-179.3-2.1105.7R291 T295R291-R293 PolarHBondContact O-N 2.88Å; R293-T295 VanDerWaalsContact C-N 3.28Å; R293-T295 PolarHBondContact O-N 3.16Å
294T35.9Very low45.1Very low136 Ų136143.1 Ų143.183%0.83473%0.73SS**  trans-55.695.6162.9450000107.7P292 D296P292-T294 PolarHBondContact O-N 3.03Å; T294-D296 PolarHBondContact O-N 3Å
295T37.8Very low47.2Very low129 Ų129132.5 Ų132.579%0.79169%0.691SS**  trans-77.1107.5159.648.20000105.9R293 R297R293-T295 VanDerWaalsContact C-N 3.28Å; R293-T295 PolarHBondContact O-N 3.16Å; T295-R297 PolarHBondContact O-N 2.89Å
296D39.1Very low49.5Very low156 Ų156129.7 Ų129.783%0.83467%0.673SS**  trans-50.6126.1159.2-79.2-46.2000108.8T294T294-D296 PolarHBondContact O-N 3Å
297R33.2Very low51.6Low229 Ų229129.5 Ų129.586%0.86466%0.661SS**  trans33.1127164.4-83.9-179.8162.7-172.5-5.2120T295T295-R297 PolarHBondContact O-N 2.89Å
298P45Very low53.9Low107 Ų107120.5 Ų120.570%0.69562%0.62SS**SBendtrans-74.6150.3161.933.3-29.6000111
299D39.1Very low56.3Low153 Ų153118.9 Ų118.982%0.81861%0.611SS**  trans83.463.7157.3-46.7-26.2000119.9
300H46.4Very low58.8Low174 Ų174113.5 Ų113.581%0.80658%0.576SS**  trans-109.8110.7147.6-98.5149.8000109.9G302H300-G302 PolarHBondContact O-N 3.42Å
301Y53.8Low61.4Low155 Ų155110.1 Ų110.161%0.60855%0.551SS**  trans-77.6102.2172.7-176.6-97.6000109.4W327 P341Y301-W327 HydrophobicContact CD1-CZ3 4.31Å; Y301-W327 HydrophobicContact CE1-CH2 4.24Å; Y301-W327 AromaticContact CE1-CZ3 3.74Å; Y301-W327 HydrophobicContact CE1-CZ3 3.74Å; Y301-W327 HydrophobicContact CE2-CH2 4.4Å; Y301-W327 AromaticContact CZ-CZ3 3.92Å; Y301-P341 WeakPolarHBondContact O-CG 3.4Å
302G67.8Low64.1Low27 Ų2799.3 Ų99.328%0.27851%0.511SS..SBendtrans84.8174176.200000115.6H300H300-G302 PolarHBondContact O-N 3.42Å
303P81.5Confident66.9Low28 Ų2893.5 Ų93.518%0.18247%0.473CS..  trans-68.5157.1179.627.3-33.5000112W327 W329P303-W327 VanDerWaalsContact CD-CG 3.48Å; P303-W327 HydrophobicContact CG-CB 4.07Å; P303-W327 HydrophobicContact CG-CG 3.82Å; P303-W329 HydrophobicContact CB-CH2 4.35Å; P303-W329 HydrophobicContact CB-CZ2 4.42Å; P303-W329 HydrophobicContact CG-CH2 3.68Å; P303-W329 HydrophobicContact CG-CZ2 3.83Å; P303-W329 WeakPolarHBondContact O-CZ2 3.39Å
304N82.6Confident69.7Low75 Ų7582.8 Ų82.840%0.40143%0.433SS..  trans-86.5132172.9-172.6-37.6000110.2C306 E307N304-C306 PolarHBondContact O-N 2.87Å; N304-C306 WeakPolarHBondContact OD1-CB 3.39Å; N304-C306 PolarHBondContact OD1-N 2.94Å; N304-E307 HydrophobicContact CB-CG 4.13Å; N304-E307 PolarHBondContact N-OE1 2.59Å; N304-E307 WeakPolarHBondContact O-CB 3.35Å; N304-E307 WeakPolarHBondContact O-CG 3.46Å; N304-E307 PolarHBondContact O-N 3.35Å; N304-E307 VanDerWaalsContact O-N 3.13Å
305I86.3Confident72.2Confident12 Ų1278.4 Ų78.46%0.06240%0.404CS..G310 helixtrans-59.4-30.8178.5-159.4173.3000112.5E307 G308 F310 W329 V331 V336 M494I305-E307 PolarHBondContact O-N 3.46Å; I305-G308 PolarHBondContact O-N 3.14Å; I305-G308 VanDerWaalsContact O-N 3.13Å; I305-F310 HydrophobicContact CG1-CE1 3.92Å; I305-F310 HydrophobicContact CG1-CZ 3.9Å; I305-F310 WeakPolarHBondContact O-CE1 3.49Å; I305-F310 VanDerWaalsContact O-CZ 3.31Å; I305-F310 WeakPolarHBondContact O-CZ 3.03Å; I305-W329 HydrophobicContact CB-CD2 4.26Å; I305-W329 HydrophobicContact CB-CG 4.48Å; I305-W329 HydrophobicContact CB-CZ2 4.27Å; I305-W329 HydrophobicContact CD1-CB 3.93Å; I305-W329 HydrophobicContact CD1-CD2 4.06Å; I305-W329 HydrophobicContact CD1-CG 3.75Å; I305-W329 HydrophobicContact CG1-CD2 4.02Å; I305-W329 HydrophobicContact CG1-CE3 4.36Å; I305-W329 HydrophobicContact CG1-CG 4.22Å; I305-V331 HydrophobicContact CD1-CG2 4.06Å; I305-V336 HydrophobicContact CD1-CG1 4.46Å; I305-V336 HydrophobicContact CD1-CG2 3.4Å; I305-V336 VanDerWaalsContact CD1-CG2 3.4Å; I305-V336 HydrophobicContact CG2-CG2 4Å; I305-M494 HydrophobicContact CD1-CB 4.25Å; I305-M494 HydrophobicContact CD1-CG 4.23Å; I305-M494 HydrophobicContact CD1-SD 3.58Å; I305-M494 VanDerWaalsContact CD1-SD 3.58Å; I305-M494 HydrophobicContact CG1-CB 4.42Å; I305-M494 HydrophobicContact CG1-CG 4.34Å; I305-M494 HydrophobicContact CG1-SD 4.18Å
306C88.1Confident74.6Confident54 Ų5472.3 Ų72.337%0.36537%0.366SS..G310 helixtrans-75-6.2-179.1-600000113.6N304 G308 C496N304-C306 PolarHBondContact O-N 2.87Å; N304-C306 WeakPolarHBondContact OD1-CB 3.39Å; N304-C306 PolarHBondContact OD1-N 2.94Å; C306-G308 PolarHBondContact O-N 2.64Å; C306-C496 WeakPolarHBondContact CA-SG 3.36Å; C306-C496 HydrophobicContact CB-CB 3.84Å; C306-C496 WeakPolarHBondContact CB-SG 3.4Å; C306-C496 WeakPolarHBondContact SG-CB 3.4Å; C306-C496 CovalentContact SG-SG 2.04Å; C306-C496 PolarHBondContact SG-SG 3.31Å
307E85.4Confident76.8Confident124 Ų12469.9 Ų69.958%0.57935%0.345SS*.G310 helixtrans-70.7-20.1167.5-66.9167.6-164.500112.2N304 I305 K324N304-E307 HydrophobicContact CB-CG 4.13Å; N304-E307 PolarHBondContact N-OE1 2.59Å; N304-E307 WeakPolarHBondContact O-CB 3.35Å; N304-E307 WeakPolarHBondContact O-CG 3.46Å; N304-E307 PolarHBondContact O-N 3.35Å; N304-E307 VanDerWaalsContact O-N 3.13Å; I305-E307 PolarHBondContact O-N 3.46Å; E307-K324 IonicContact OE2-NZ 2.62Å; E307-K324 PolarHBondContact OE2-NZ 3.29Å
308G87.3Confident79Confident2 Ų261.5 Ų61.52%0.02133%0.33CS..  trans62.9-153.9-178.300000114.5I305 C306 K324I305-G308 PolarHBondContact O-N 3.14Å; I305-G308 VanDerWaalsContact O-N 3.13Å; C306-G308 PolarHBondContact O-N 2.64Å; G308-K324 WeakPolarHBondContact O-CE 3.06Å; G308-K324 PolarHBondContact O-NZ 3.31Å
309N88.2Confident80.9Confident117 Ų11757.8 Ų57.863%0.62630%0.303SS*.  trans53.664.4-175.4-167.542.8000112.4
310F92.6Very high83.3Confident3 Ų351 Ų511%0.01327%0.266CS..  trans-80.2146.5179.6-47.2-56.2000110.3I305 V313 V322 F323 K324 Y466 I489 L490 M494I305-F310 HydrophobicContact CG1-CE1 3.92Å; I305-F310 HydrophobicContact CG1-CZ 3.9Å; I305-F310 WeakPolarHBondContact O-CE1 3.49Å; I305-F310 VanDerWaalsContact O-CZ 3.31Å; I305-F310 WeakPolarHBondContact O-CZ 3.03Å; F310-V313 HydrophobicContact CB-CG2 4.19Å; F310-V313 HydrophobicContact CD2-CG2 4.06Å; F310-V313 HydrophobicContact CG-CG2 4.46Å; F310-V322 HydrophobicContact CB-CG1 3.96Å; F310-V322 HydrophobicContact CD1-CG1 3.34Å; F310-V322 HydrophobicContact CD2-CG1 3.67Å; F310-V322 HydrophobicContact CE1-CG1 3.63Å; F310-V322 HydrophobicContact CE2-CG1 3.95Å; F310-V322 HydrophobicContact CG-CG1 3.36Å; F310-V322 HydrophobicContact CZ-CG1 3.92Å; F310-F323 CarbonylContact C-O 3.4Å; F310-F323 WeakPolarHBondContact CB-O 3.41Å; F310-K324 HydrophobicContact CD1-CB 4.39Å; F310-K324 HydrophobicContact CD1-CD 4.34Å; F310-Y466 HydrophobicContact CB-CE1 3.91Å; F310-Y466 HydrophobicContact CD2-CE1 4.06Å; F310-Y466 HydrophobicContact CD2-CE2 4.27Å; F310-Y466 AromaticContact CD2-CZ 3.62Å; F310-Y466 VanDerWaalsContact CD2-OH 3.31Å; F310-Y466 WeakPolarHBondContact CD2-OH 3.35Å; F310-Y466 HydrophobicContact CG-CE1 4.48Å; F310-Y466 PolarHBondContact N-OH 2.71Å; F310-I489 HydrophobicContact CE2-CG2 4.19Å; F310-L490 HydrophobicContact CE2-CD2 3.93Å; F310-L490 HydrophobicContact CZ-CD2 3.69Å; F310-M494 HydrophobicContact CD2-CE 4.47Å; F310-M494 HydrophobicContact CE2-CE 3.81Å; F310-M494 HydrophobicContact CE2-CG 4.2Å; F310-M494 HydrophobicContact CE2-SD 4.4Å; F310-M494 HydrophobicContact CZ-CE 4.37Å; F310-M494 HydrophobicContact CZ-CG 4.11Å; F310-M494 HydrophobicContact CZ-SD 4.39Å
311D92Very high85.5Confident53 Ų5342.9 Ų42.928%0.28323%0.229SC..SBendtrans-68.8-47.6176.5-65.2-28.2000109.9F323 G325D311-F323 PolarHBondContact N-O 3.45Å; D311-G325 WeakPolarHBondContact OD2-CA 3.36Å; D311-G325 PolarHBondContact OD2-N 2.99Å
312T94Very high87.4Confident2 Ų235.5 Ų35.51%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-152.9158.2171.9-164.30000113.1F323 I355 K452T312-F323 HydrophobicContact CG2-CB 4Å; T312-F323 HydrophobicContact CG2-CD2 3.74Å; T312-F323 HydrophobicContact CG2-CG 4.14Å; T312-F323 PolarHBondContact O-N 3.48Å; T312-I355 HydrophobicContact CG2-CD1 3.76Å; T312-I355 HydrophobicContact CG2-CG1 3.89Å; T312-K452 WeakPolarHBondContact CA-O 3.37Å; T312-K452 WeakPolarHBondContact CB-O 3.06Å; T312-K452 PolarHBondContact OG1-O 2.82Å
313V94.8Very high88.5Confident1 Ų134.2 Ų34.21%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-132.1125.9175-177.30000107.8F310 M320 F321 V322 G453 F455 Y466 I489F310-V313 HydrophobicContact CB-CG2 4.19Å; F310-V313 HydrophobicContact CD2-CG2 4.06Å; F310-V313 HydrophobicContact CG-CG2 4.46Å; V313-M320 HydrophobicContact CG1-CE 4.47Å; V313-M320 HydrophobicContact CG1-CG 3.8Å; V313-M320 HydrophobicContact CG1-SD 3.95Å; V313-F321 WeakPolarHBondContact CA-O 3.45Å; V313-V322 HydrophobicContact CG1-CG2 4.31Å; V313-V322 HydrophobicContact CG2-CG1 4.26Å; V313-V322 HydrophobicContact CG2-CG2 4.47Å; V313-G453 WeakPolarHBondContact O-CA 3.42Å; V313-F455 HydrophobicContact CG1-CD1 4.1Å; V313-F455 HydrophobicContact CG1-CE1 3.93Å; V313-Y466 HydrophobicContact CB-CD1 4.39Å; V313-Y466 HydrophobicContact CG2-CD1 3.76Å; V313-Y466 HydrophobicContact CG2-CE1 3.97Å; V313-Y466 HydrophobicContact CG2-CG 4.34Å; V313-I489 HydrophobicContact CG2-CD1 4.49Å
314A93.3Very high88.9Confident1 Ų134.7 Ų34.71%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-135.5151.5-177.500000111L316 F321 A358A314-L316 HydrophobicContact CB-CG 4.5Å; A314-F321 PolarHBondContact N-O 2.98Å; A314-F321 PolarHBondContact O-N 3.44Å; A314-A358 HydrophobicContact CB-CB 3.95Å; A314-A358 VanDerWaalsContact CB-O 3.25Å; A314-A358 WeakPolarHBondContact CB-O 3.39Å
315M89.1Confident88.9Confident45 Ų4532.4 Ų32.422%0.22218%0.18CC..EExtended strand (participates in β ladder)trans-97.5120.8168.8-16867.266.200108.1E319 M320 F455M315-E319 WeakPolarHBondContact CA-O 3.41Å; M315-E319 PolarHBondContact SD-N 3.43Å; M315-M320 HydrophobicContact CE-CB 4.22Å; M315-M320 HydrophobicContact CE-CE 4.32Å; M315-M320 HydrophobicContact SD-CB 4.43Å; M315-F455 HydrophobicContact CB-CB 3.95Å; M315-F455 HydrophobicContact CE-CD2 4.19Å
316L87.7Confident88.5Confident0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-128.2122.9177-52.2173.5000107.7A314 G318 E319 F321 W348 E360 F366 F368A314-L316 HydrophobicContact CB-CG 4.5Å; L316-G318 PolarHBondContact O-N 2.89Å; L316-E319 PolarHBondContact N-O 3.12Å; L316-E319 PolarHBondContact O-N 3.15Å; L316-F321 HydrophobicContact CB-CD2 3.72Å; L316-F321 HydrophobicContact CB-CE2 3.77Å; L316-F321 HydrophobicContact CD1-CB 4.37Å; L316-F321 HydrophobicContact CD1-CD2 3.93Å; L316-F321 HydrophobicContact CD1-CE2 4.36Å; L316-F321 HydrophobicContact CD1-CG 4.07Å; L316-F321 HydrophobicContact CG-CD2 3.98Å; L316-F321 HydrophobicContact CG-CE2 4.46Å; L316-W348 HydrophobicContact CD1-CZ2 4.27Å; L316-E360 HydrophobicContact CD2-CB 3.99Å; L316-F366 HydrophobicContact CB-CD1 4.4Å; L316-F366 HydrophobicContact CB-CE1 4.12Å; L316-F366 HydrophobicContact CB-CZ 4.18Å; L316-F366 HydrophobicContact CD1-CD2 4.29Å; L316-F366 HydrophobicContact CD1-CG 4.39Å; L316-F366 HydrophobicContact CD2-CB 4.45Å; L316-F366 HydrophobicContact CD2-CD1 3.98Å; L316-F366 HydrophobicContact CD2-CG 4.18Å; L316-F368 HydrophobicContact CD1-CE1 4.49Å; L316-F368 HydrophobicContact CD1-CZ 4.19Å
317R84.8Confident88.2Confident106 Ų10638.4 Ų38.440%0.420%0.195SC..THydrogen-bonded Turntrans52.436.1-176.6-68.3-174.7167-162.4-9.4114.7E319 E360 F366 E379R317-E319 VanDerWaalsContact C-N 3.25Å; R317-E319 PolarHBondContact O-N 3.32Å; R317-E360 PolarHBondContact N-OE2 2.97Å; R317-F366 HydrophobicContact CG-CE1 3.96Å; R317-F366 HydrophobicContact CG-CZ 3.74Å; R317-E379 VanDerWaalsContact CZ-CG 3.49Å; R317-E379 IonicContact CZ-OE1 3.83Å; R317-E379 IonicContact NH1-OE1 3.88Å; R317-E379 PolarHBondContact NH1-OE1 2.81Å; R317-E379 IonicContact NH2-OE1 2.88Å; R317-E379 PolarHBondContact NH2-OE1 2.69Å
318G79.3Confident88.3Confident52 Ų5232.5 Ų32.554%0.53617%0.167SC..THydrogen-bonded Turntrans72.415.9-179.500000114.4L316L316-G318 PolarHBondContact O-N 2.89Å
319E84.8Confident88.5Confident30 Ų3032.7 Ų32.714%0.1417%0.167CC..EExtended strand (participates in β ladder)trans-118.8144.5169.8-63.3-175.2145.700111.2M315 L316 R317 F321 R330M315-E319 WeakPolarHBondContact CA-O 3.41Å; M315-E319 PolarHBondContact SD-N 3.43Å; L316-E319 PolarHBondContact N-O 3.12Å; L316-E319 PolarHBondContact O-N 3.15Å; R317-E319 VanDerWaalsContact C-N 3.25Å; R317-E319 PolarHBondContact O-N 3.32Å; E319-F321 HydrophobicContact CB-CD2 4.47Å; E319-F321 HydrophobicContact CB-CE2 3.96Å; E319-F321 WeakPolarHBondContact O-CD2 3.4Å; E319-R330 VanDerWaalsContact CD-NH2 3.27Å; E319-R330 IonicContact OE1-NH2 3.91Å; E319-R330 PolarHBondContact OE1-NH2 3.19Å; E319-R330 VanDerWaalsContact OE1-NH2 3.09Å; E319-R330 IonicContact OE2-CZ 3.39Å; E319-R330 IonicContact OE2-NE 3.45Å; E319-R330 PolarHBondContact OE2-NE 3.07Å; E319-R330 IonicContact OE2-NH2 3.81Å; E319-R330 PolarHBondContact OE2-NH2 2.81Å
320M89.4Confident88.4Confident9 Ų928.4 Ų28.44%0.04414%0.142CC..EExtended strand (participates in β ladder)trans-85.2122.6179.9177.1177.2-66.500109.7V313 M315 V322 R330 V331 F455 F493 M494V313-M320 HydrophobicContact CG1-CE 4.47Å; V313-M320 HydrophobicContact CG1-CG 3.8Å; V313-M320 HydrophobicContact CG1-SD 3.95Å; M315-M320 HydrophobicContact CE-CB 4.22Å; M315-M320 HydrophobicContact CE-CE 4.32Å; M315-M320 HydrophobicContact SD-CB 4.43Å; M320-V322 HydrophobicContact CG-CG2 4.05Å; M320-V322 HydrophobicContact SD-CG2 4.31Å; M320-R330 CarbonylContact O-C 3.47Å; M320-R330 WeakPolarHBondContact O-CA 3.3Å; M320-V331 HydrophobicContact CB-CB 4.15Å; M320-V331 WeakPolarHBondContact CB-O 3.31Å; M320-V331 HydrophobicContact CG-CB 4.36Å; M320-V331 PolarHBondContact N-O 2.99Å; M320-V331 PolarHBondContact O-N 2.84Å; M320-V331 HydrophobicContact SD-CB 4.43Å; M320-F455 HydrophobicContact CE-CD1 4.49Å; M320-F455 HydrophobicContact CE-CD2 4.1Å; M320-F455 HydrophobicContact CE-CE1 3.96Å; M320-F455 HydrophobicContact CE-CE2 3.5Å; M320-F455 VanDerWaalsContact CE-CE2 3.5Å; M320-F455 HydrophobicContact CE-CZ 3.43Å; M320-F455 VanDerWaalsContact CE-CZ 3.43Å; M320-F493 HydrophobicContact CE-CD1 3.39Å; M320-F493 HydrophobicContact CE-CE1 3.69Å; M320-F493 HydrophobicContact CE-CG 4.16Å; M320-F493 HydrophobicContact SD-CB 4.3Å; M320-F493 HydrophobicContact SD-CD1 4.14Å; M320-F493 HydrophobicContact SD-CG 4.49Å; M320-M494 HydrophobicContact SD-CE 3.93Å
321F92.3Very high88.1Confident4 Ų428.5 Ų28.52%0.01814%0.143CC..EExtended strand (participates in β ladder)trans-106.5124173.5-72.6-100000109.7V313 A314 L316 E319 F323 F328 W329 R330 W348V313-F321 WeakPolarHBondContact CA-O 3.45Å; A314-F321 PolarHBondContact N-O 2.98Å; A314-F321 PolarHBondContact O-N 3.44Å; L316-F321 HydrophobicContact CB-CD2 3.72Å; L316-F321 HydrophobicContact CB-CE2 3.77Å; L316-F321 HydrophobicContact CD1-CB 4.37Å; L316-F321 HydrophobicContact CD1-CD2 3.93Å; L316-F321 HydrophobicContact CD1-CE2 4.36Å; L316-F321 HydrophobicContact CD1-CG 4.07Å; L316-F321 HydrophobicContact CG-CD2 3.98Å; L316-F321 HydrophobicContact CG-CE2 4.46Å; E319-F321 HydrophobicContact CB-CD2 4.47Å; E319-F321 HydrophobicContact CB-CE2 3.96Å; E319-F321 WeakPolarHBondContact O-CD2 3.4Å; F321-F323 HydrophobicContact CB-CD2 4.4Å; F321-F323 HydrophobicContact CB-CE2 3.52Å; F321-F323 HydrophobicContact CB-CZ 3.86Å; F321-F323 HydrophobicContact CD1-CZ 4.48Å; F321-F328 AromaticContact CD1-CD2 3.83Å; F321-F328 HydrophobicContact CD1-CD2 3.83Å; F321-F328 AromaticContact CD1-CE2 3.92Å; F321-F328 HydrophobicContact CD1-CE2 3.92Å; F321-F328 HydrophobicContact CE1-CD2 4.32Å; F321-F328 AromaticContact CE1-CE2 3.93Å; F321-F328 HydrophobicContact CE1-CE2 3.93Å; F321-W329 WeakPolarHBondContact CA-O 3.5Å; F321-R330 HydrophobicContact CD1-CG 3.6Å; F321-R330 HydrophobicContact CE1-CG 3.26Å; F321-R330 HydrophobicContact CE2-CG 4.21Å; F321-R330 HydrophobicContact CG-CG 4.28Å; F321-R330 HydrophobicContact CZ-CG 3.6Å; F321-W348 AromaticContact CD1-CH2 3.5Å; F321-W348 HydrophobicContact CD1-CH2 3.5Å; F321-W348 VanDerWaalsContact CD1-CH2 3.5Å; F321-W348 HydrophobicContact CD1-CZ2 4.14Å; F321-W348 AromaticContact CE1-CH2 3.56Å; F321-W348 HydrophobicContact CE1-CH2 3.56Å; F321-W348 AromaticContact CE1-CZ2 3.92Å; F321-W348 HydrophobicContact CE1-CZ2 3.92Å; F321-W348 HydrophobicContact CG-CH2 4.46Å
322V93.8Very high87.6Confident0 Ų032 Ų320%015%0.152CC..EExtended strand (participates in β ladder)trans-113.5123.5-178-177.90000107.9F310 V313 M320 F328 W329 V331 M494F310-V322 HydrophobicContact CB-CG1 3.96Å; F310-V322 HydrophobicContact CD1-CG1 3.34Å; F310-V322 HydrophobicContact CD2-CG1 3.67Å; F310-V322 HydrophobicContact CE1-CG1 3.63Å; F310-V322 HydrophobicContact CE2-CG1 3.95Å; F310-V322 HydrophobicContact CG-CG1 3.36Å; F310-V322 HydrophobicContact CZ-CG1 3.92Å; V313-V322 HydrophobicContact CG1-CG2 4.31Å; V313-V322 HydrophobicContact CG2-CG1 4.26Å; V313-V322 HydrophobicContact CG2-CG2 4.47Å; M320-V322 HydrophobicContact CG-CG2 4.05Å; M320-V322 HydrophobicContact SD-CG2 4.31Å; V322-F328 CarbonylContact O-C 3.46Å; V322-F328 WeakPolarHBondContact O-CA 3.01Å; V322-F328 VanDerWaalsContact O-CB 3.31Å; V322-F328 WeakPolarHBondContact O-CB 3.41Å; V322-W329 HydrophobicContact CB-CB 4.41Å; V322-W329 HydrophobicContact CB-CE3 4.23Å; V322-W329 HydrophobicContact CG1-CE3 4.1Å; V322-W329 PolarHBondContact N-O 3.19Å; V322-W329 PolarHBondContact O-N 2.9Å; V322-V331 HydrophobicContact CG2-CG2 3.92Å; V322-M494 HydrophobicContact CG1-CE 4.4Å; V322-M494 HydrophobicContact CG2-CE 3.53Å; V322-M494 HydrophobicContact CG2-SD 3.91Å
323F92.3Very high86.7Confident0 Ų042.1 Ų42.10%019%0.19CC..EExtended strand (participates in β ladder)trans-113.5135.2-175.4-62-93000111.1F310 D311 T312 F321 F328 I344 W348 I355 F368F310-F323 CarbonylContact C-O 3.4Å; F310-F323 WeakPolarHBondContact CB-O 3.41Å; D311-F323 PolarHBondContact N-O 3.45Å; T312-F323 HydrophobicContact CG2-CB 4Å; T312-F323 HydrophobicContact CG2-CD2 3.74Å; T312-F323 HydrophobicContact CG2-CG 4.14Å; T312-F323 PolarHBondContact O-N 3.48Å; F321-F323 HydrophobicContact CB-CD2 4.4Å; F321-F323 HydrophobicContact CB-CE2 3.52Å; F321-F323 HydrophobicContact CB-CZ 3.86Å; F321-F323 HydrophobicContact CD1-CZ 4.48Å; F323-F328 HydrophobicContact CD1-CB 3.57Å; F323-F328 HydrophobicContact CD1-CG 4.43Å; F323-F328 HydrophobicContact CE1-CB 3.84Å; F323-F328 HydrophobicContact CE1-CG 4.25Å; F323-F328 HydrophobicContact CG-CB 4.2Å; F323-I344 HydrophobicContact CD1-CD1 3.73Å; F323-I344 HydrophobicContact CD1-CG1 3.96Å; F323-I344 HydrophobicContact CE1-CD1 4.5Å; F323-I344 HydrophobicContact CE1-CG1 4.39Å; F323-W348 HydrophobicContact CE1-CE3 4.19Å; F323-W348 AromaticContact CE1-CH2 3.86Å; F323-W348 HydrophobicContact CE1-CH2 3.86Å; F323-W348 AromaticContact CE1-CZ3 3.5Å; F323-W348 HydrophobicContact CE1-CZ3 3.5Å; F323-W348 VanDerWaalsContact CE1-CZ3 3.5Å; F323-W348 AromaticContact CZ-CH2 3.73Å; F323-W348 HydrophobicContact CZ-CH2 3.73Å; F323-W348 HydrophobicContact CZ-CZ2 4.48Å; F323-W348 AromaticContact CZ-CZ3 3.89Å; F323-W348 HydrophobicContact CZ-CZ3 3.89Å; F323-I355 HydrophobicContact CB-CD1 4.24Å; F323-I355 HydrophobicContact CB-CG1 4.15Å; F323-I355 HydrophobicContact CD1-CD1 3.61Å; F323-I355 HydrophobicContact CD1-CG1 4.13Å; F323-I355 HydrophobicContact CD2-CD1 3.89Å; F323-I355 HydrophobicContact CE1-CD1 3.82Å; F323-I355 HydrophobicContact CE2-CD1 4.08Å; F323-I355 HydrophobicContact CG-CD1 3.65Å; F323-I355 HydrophobicContact CG-CG1 4.09Å; F323-I355 HydrophobicContact CZ-CD1 4.06Å; F323-F368 HydrophobicContact CE1-CE1 4.31Å; F323-F368 AromaticContact CZ-CE1 3.86Å; F323-F368 HydrophobicContact CZ-CE1 3.86Å
324K89.6Confident85.9Confident38 Ų3846.3 Ų46.317%0.16521%0.212CC..EExtended strand (participates in β ladder)trans-150.4112.1176.1-172.8177.4175.9177.60111.2E307 G308 F310 R326 W327 W329E307-K324 IonicContact OE2-NZ 2.62Å; E307-K324 PolarHBondContact OE2-NZ 3.29Å; G308-K324 WeakPolarHBondContact O-CE 3.06Å; G308-K324 PolarHBondContact O-NZ 3.31Å; F310-K324 HydrophobicContact CD1-CB 4.39Å; F310-K324 HydrophobicContact CD1-CD 4.34Å; K324-R326 PolarHBondContact O-N 2.94Å; K324-W327 PolarHBondContact N-O 2.94Å; K324-W327 PolarHBondContact O-N 3.48Å; K324-W329 HydrophobicContact CB-CH2 3.92Å; K324-W329 HydrophobicContact CB-CZ3 3.6Å; K324-W329 HydrophobicContact CD-CH2 4.23Å
325G82.8Confident85.1Confident28 Ų2853.4 Ų53.429%0.28924%0.239SC..THydrogen-bonded Turntrans48.5-131.9-168.100000109.8D311 W327 I344 G353D311-G325 WeakPolarHBondContact OD2-CA 3.36Å; D311-G325 PolarHBondContact OD2-N 2.99Å; G325-W327 PolarHBondContact O-N 3.39Å; G325-W327 VanDerWaalsContact O-N 3.16Å; G325-I344 WeakPolarHBondContact O-CD1 3.19Å; G325-G353 CarbonylContact C-O 3.58Å; G325-G353 CarbonylContact O-C 3.59Å
326R77.3Confident84.8Confident144 Ų14452.6 Ų52.654%0.54324%0.237SC..THydrogen-bonded Turntrans-751.2-178.867.9176.2-76.1134.1-2.9114.9K324 P343 I344 G353K324-R326 PolarHBondContact O-N 2.94Å; R326-P343 CarbonylContact O-C 3.57Å; R326-P343 WeakPolarHBondContact O-CA 3.48Å; R326-I344 PolarHBondContact O-N 3.42Å; R326-G353 WeakPolarHBondContact CA-O 3.48Å; R326-G353 PolarHBondContact N-O 3.27Å
327W81.4Confident84.1Confident48 Ų4855.1 Ų55.118%0.18225%0.25CC..EExtended strand (participates in β ladder)trans-114.5151.9-171.4-54.597000110.7Y301 P303 K324 G325 W329 P341 M342 P343Y301-W327 HydrophobicContact CD1-CZ3 4.31Å; Y301-W327 HydrophobicContact CE1-CH2 4.24Å; Y301-W327 AromaticContact CE1-CZ3 3.74Å; Y301-W327 HydrophobicContact CE1-CZ3 3.74Å; Y301-W327 HydrophobicContact CE2-CH2 4.4Å; Y301-W327 AromaticContact CZ-CZ3 3.92Å; P303-W327 VanDerWaalsContact CD-CG 3.48Å; P303-W327 HydrophobicContact CG-CB 4.07Å; P303-W327 HydrophobicContact CG-CG 3.82Å; K324-W327 PolarHBondContact N-O 2.94Å; K324-W327 PolarHBondContact O-N 3.48Å; G325-W327 PolarHBondContact O-N 3.39Å; G325-W327 VanDerWaalsContact O-N 3.16Å; W327-W329 HydrophobicContact CB-CH2 4.45Å; W327-P341 HydrophobicContact CB-CB 4.06Å; W327-P341 HydrophobicContact CD2-CB 4.34Å; W327-P341 HydrophobicContact CE3-CB 3.94Å; W327-P341 HydrophobicContact CE3-CG 4.36Å; W327-P341 HydrophobicContact CG-CB 4.42Å; W327-M342 CarbonylContact C-O 3.6Å; W327-M342 VanDerWaalsContact CA-O 3.3Å; W327-M342 WeakPolarHBondContact CA-O 3.36Å; W327-P343 HydrophobicContact CE3-CG 4.08Å; W327-P343 HydrophobicContact CH2-CG 4.26Å; W327-P343 HydrophobicContact CZ3-CG 3.65Å
328F88.7Confident82.7Confident0 Ų053.5 Ų53.50%025%0.249CC..EExtended strand (participates in β ladder)trans-139164.3167.876.6-77.5000110.9F321 V322 F323 R330 Y340 P341 M342 I344 F347 W348F321-F328 AromaticContact CD1-CD2 3.83Å; F321-F328 HydrophobicContact CD1-CD2 3.83Å; F321-F328 AromaticContact CD1-CE2 3.92Å; F321-F328 HydrophobicContact CD1-CE2 3.92Å; F321-F328 HydrophobicContact CE1-CD2 4.32Å; F321-F328 AromaticContact CE1-CE2 3.93Å; F321-F328 HydrophobicContact CE1-CE2 3.93Å; V322-F328 CarbonylContact O-C 3.46Å; V322-F328 WeakPolarHBondContact O-CA 3.01Å; V322-F328 VanDerWaalsContact O-CB 3.31Å; V322-F328 WeakPolarHBondContact O-CB 3.41Å; F323-F328 HydrophobicContact CD1-CB 3.57Å; F323-F328 HydrophobicContact CD1-CG 4.43Å; F323-F328 HydrophobicContact CE1-CB 3.84Å; F323-F328 HydrophobicContact CE1-CG 4.25Å; F323-F328 HydrophobicContact CG-CB 4.2Å; F328-R330 HydrophobicContact CE2-CG 4.34Å; F328-Y340 HydrophobicContact CD2-CD1 4.48Å; F328-Y340 AromaticContact CD2-CE1 3.98Å; F328-Y340 HydrophobicContact CD2-CE1 3.98Å; F328-Y340 HydrophobicContact CE1-CE1 4.47Å; F328-Y340 HydrophobicContact CE2-CD1 4.34Å; F328-Y340 AromaticContact CE2-CE1 3.44Å; F328-Y340 HydrophobicContact CE2-CE1 3.44Å; F328-Y340 VanDerWaalsContact CE2-CE1 3.44Å; F328-Y340 AromaticContact CZ-CE1 3.72Å; F328-Y340 HydrophobicContact CZ-CE1 3.72Å; F328-Y340 VanDerWaalsContact O-CD1 3.3Å; F328-Y340 WeakPolarHBondContact O-CD1 3.23Å; F328-P341 WeakPolarHBondContact O-CA 3.45Å; F328-M342 HydrophobicContact CD1-CB 4.3Å; F328-M342 WeakPolarHBondContact CD1-O 3.13Å; F328-M342 HydrophobicContact CE1-CB 3.74Å; F328-M342 HydrophobicContact CE1-CG 4.01Å; F328-M342 HydrophobicContact CE1-SD 4.25Å; F328-M342 HydrophobicContact CZ-CB 4.1Å; F328-M342 HydrophobicContact CZ-CG 4.39Å; F328-M342 HydrophobicContact CZ-SD 4.12Å; F328-M342 PolarHBondContact N-O 3.29Å; F328-M342 PolarHBondContact O-N 2.77Å; F328-I344 HydrophobicContact CB-CG1 4.14Å; F328-I344 HydrophobicContact CD1-CB 4.49Å; F328-I344 HydrophobicContact CD1-CG1 3.97Å; F328-I344 HydrophobicContact CG-CG1 4.47Å; F328-F347 HydrophobicContact CE1-CB 3.56Å; F328-F347 HydrophobicContact CE1-CG 4.15Å; F328-F347 HydrophobicContact CE2-CG 4.43Å; F328-F347 HydrophobicContact CZ-CB 3.5Å; F328-F347 VanDerWaalsContact CZ-CB 3.5Å; F328-F347 HydrophobicContact CZ-CD1 4.17Å; F328-F347 AromaticContact CZ-CD2 3.71Å; F328-F347 HydrophobicContact CZ-CD2 3.71Å; F328-F347 HydrophobicContact CZ-CE2 4.39Å; F328-F347 AromaticContact CZ-CG 3.54Å; F328-F347 HydrophobicContact CZ-CG 3.54Å; F328-W348 AromaticContact CD1-CZ3 3.85Å; F328-W348 HydrophobicContact CD1-CZ3 3.85Å; F328-W348 AromaticContact CD2-CH2 3.97Å; F328-W348 HydrophobicContact CD2-CH2 3.97Å; F328-W348 AromaticContact CD2-CZ3 3.76Å; F328-W348 HydrophobicContact CD2-CZ3 3.76Å; F328-W348 HydrophobicContact CE1-CE3 4.38Å; F328-W348 AromaticContact CE1-CZ3 3.79Å; F328-W348 HydrophobicContact CE1-CZ3 3.79Å; F328-W348 AromaticContact CE2-CH2 3.78Å; F328-W348 HydrophobicContact CE2-CH2 3.78Å; F328-W348 AromaticContact CE2-CZ3 3.67Å; F328-W348 HydrophobicContact CE2-CZ3 3.67Å; F328-W348 HydrophobicContact CG-CH2 4.47Å; F328-W348 AromaticContact CG-CZ3 3.84Å; F328-W348 HydrophobicContact CG-CZ3 3.84Å; F328-W348 HydrophobicContact CZ-CH2 4.17Å; F328-W348 AromaticContact CZ-CZ3 3.69Å; F328-W348 HydrophobicContact CZ-CZ3 3.69Å
329W90Very high81.6Confident5 Ų554 Ų542%0.01924%0.239CC..EExtended strand (participates in β ladder)trans-128.2147172.2-60.3-99.7000109.8P303 I305 F321 V322 K324 W327 V331 V336 Y340 P341P303-W329 HydrophobicContact CB-CH2 4.35Å; P303-W329 HydrophobicContact CB-CZ2 4.42Å; P303-W329 HydrophobicContact CG-CH2 3.68Å; P303-W329 HydrophobicContact CG-CZ2 3.83Å; P303-W329 WeakPolarHBondContact O-CZ2 3.39Å; I305-W329 HydrophobicContact CB-CD2 4.26Å; I305-W329 HydrophobicContact CB-CG 4.48Å; I305-W329 HydrophobicContact CB-CZ2 4.27Å; I305-W329 HydrophobicContact CD1-CB 3.93Å; I305-W329 HydrophobicContact CD1-CD2 4.06Å; I305-W329 HydrophobicContact CD1-CG 3.75Å; I305-W329 HydrophobicContact CG1-CD2 4.02Å; I305-W329 HydrophobicContact CG1-CE3 4.36Å; I305-W329 HydrophobicContact CG1-CG 4.22Å; F321-W329 WeakPolarHBondContact CA-O 3.5Å; V322-W329 HydrophobicContact CB-CB 4.41Å; V322-W329 HydrophobicContact CB-CE3 4.23Å; V322-W329 HydrophobicContact CG1-CE3 4.1Å; V322-W329 PolarHBondContact N-O 3.19Å; V322-W329 PolarHBondContact O-N 2.9Å; K324-W329 HydrophobicContact CB-CH2 3.92Å; K324-W329 HydrophobicContact CB-CZ3 3.6Å; K324-W329 HydrophobicContact CD-CH2 4.23Å; W327-W329 HydrophobicContact CB-CH2 4.45Å; W329-V331 HydrophobicContact CB-CG2 4.44Å; W329-V336 HydrophobicContact CB-CG1 4.15Å; W329-V336 HydrophobicContact CG-CG1 4.22Å; W329-Y340 VanDerWaalsContact CD1-CB 3.5Å; W329-P341 HydrophobicContact CD2-CB 4.34Å; W329-P341 HydrophobicContact CZ2-CB 3.73Å; W329-P341 HydrophobicContact CZ2-CG 4.27Å
330R87.4Confident80.9Confident28 Ų2854.1 Ų54.111%0.10624%0.239CC..EExtended strand (participates in β ladder)trans-98.3132.5161.4-76.7166.972.6-159.7-5.5109.3G166 E319 M320 F321 F328 L337 Y340G166-R330 PolarHBondContact O-NH1 2.94Å; E319-R330 VanDerWaalsContact CD-NH2 3.27Å; E319-R330 IonicContact OE1-NH2 3.91Å; E319-R330 PolarHBondContact OE1-NH2 3.19Å; E319-R330 VanDerWaalsContact OE1-NH2 3.09Å; E319-R330 IonicContact OE2-CZ 3.39Å; E319-R330 IonicContact OE2-NE 3.45Å; E319-R330 PolarHBondContact OE2-NE 3.07Å; E319-R330 IonicContact OE2-NH2 3.81Å; E319-R330 PolarHBondContact OE2-NH2 2.81Å; M320-R330 CarbonylContact O-C 3.47Å; M320-R330 WeakPolarHBondContact O-CA 3.3Å; F321-R330 HydrophobicContact CD1-CG 3.6Å; F321-R330 HydrophobicContact CE1-CG 3.26Å; F321-R330 HydrophobicContact CE2-CG 4.21Å; F321-R330 HydrophobicContact CG-CG 4.28Å; F321-R330 HydrophobicContact CZ-CG 3.6Å; F328-R330 HydrophobicContact CE2-CG 4.34Å; R330-L337 HydrophobicContact CB-CB 4.35Å; R330-L337 HydrophobicContact CB-CD1 3.67Å; R330-L337 HydrophobicContact CB-CG 4.1Å; R330-L337 PolarHBondContact O-N 3.01Å; R330-Y340 HydrophobicContact CB-CD2 4.42Å; R330-Y340 HydrophobicContact CB-CE1 4.46Å; R330-Y340 HydrophobicContact CB-CE2 3.96Å; R330-Y340 WeakPolarHBondContact CD-OH 3.42Å; R330-Y340 HydrophobicContact CG-CE1 4.29Å; R330-Y340 HydrophobicContact CG-CE2 4.38Å
331V86.2Confident80.1Confident5 Ų554.3 Ų54.33%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-124.6129.5-178.5-175.20000108.4I305 M320 V322 W329 R335 V336 F493 M494I305-V331 HydrophobicContact CD1-CG2 4.06Å; M320-V331 HydrophobicContact CB-CB 4.15Å; M320-V331 WeakPolarHBondContact CB-O 3.31Å; M320-V331 HydrophobicContact CG-CB 4.36Å; M320-V331 PolarHBondContact N-O 2.99Å; M320-V331 PolarHBondContact O-N 2.84Å; M320-V331 HydrophobicContact SD-CB 4.43Å; V322-V331 HydrophobicContact CG2-CG2 3.92Å; W329-V331 HydrophobicContact CB-CG2 4.44Å; V331-R335 WeakPolarHBondContact CA-O 3.47Å; V331-V336 HydrophobicContact CG2-CG2 4.21Å; V331-F493 VanDerWaalsContact CG1-O 3.3Å; V331-F493 WeakPolarHBondContact CG1-O 3.43Å; V331-M494 HydrophobicContact CG2-SD 3.95Å
332R81Confident78.9Confident127 Ų12754.7 Ų54.748%0.47924%0.243SC..EExtended strand (participates in β ladder)trans-137.3129.8179.7-167.3176.2-177.2-164.14.8109.4N334 R335 L337R332-N334 VanDerWaalsContact C-N 3.28Å; R332-N334 PolarHBondContact O-N 3.47Å; R332-R335 PolarHBondContact N-O 3.34Å; R332-R335 PolarHBondContact O-N 3.14Å; R332-R335 VanDerWaalsContact O-N 3.08Å; R332-R335 VanDerWaalsContact O-O 3.07Å; R332-L337 HydrophobicContact CB-CD2 3.99Å; R332-L337 HydrophobicContact CB-CG 4.49Å
333R75Confident77.8Confident213 Ų21355.4 Ų55.480%0.80425%0.247SC*.THydrogen-bonded Turntrans50.647.6179.8-60.2172-177.1163.3-0112.6R335R333-R335 PolarHBondContact O-N 2.99Å
334N78.1Confident76.9Confident89 Ų8955.4 Ų55.448%0.47625%0.247SC..THydrogen-bonded Turntrans6120.8179.6-53.5-12.9000115.4R332 D492 F493R332-N334 VanDerWaalsContact C-N 3.28Å; R332-N334 PolarHBondContact O-N 3.47Å; N334-D492 PolarHBondContact ND2-O 3.46Å; N334-D492 PolarHBondContact OD1-O 3.38Å; N334-F493 CarbonylContact C-O 3.54Å; N334-F493 WeakPolarHBondContact CA-O 3.24Å
335R77.4Confident75.3Confident151 Ų15155.5 Ų55.557%0.5726%0.259SS*.EExtended strand (participates in β ladder)trans-127.3133174-175.1179.8167.1-154.1-11.9109.3V331 R332 R333 L337 D338V331-R335 WeakPolarHBondContact CA-O 3.47Å; R332-R335 PolarHBondContact N-O 3.34Å; R332-R335 PolarHBondContact O-N 3.14Å; R332-R335 VanDerWaalsContact O-N 3.08Å; R332-R335 VanDerWaalsContact O-O 3.07Å; R333-R335 PolarHBondContact O-N 2.99Å; R335-L337 PolarHBondContact O-N 3.1Å; R335-D338 IonicContact CZ-OD1 3.07Å; R335-D338 IonicContact CZ-OD2 3.19Å; R335-D338 VanDerWaalsContact NH2-CG 3.28Å; R335-D338 IonicContact NH2-OD1 2.71Å; R335-D338 PolarHBondContact NH2-OD1 2.82Å; R335-D338 IonicContact NH2-OD2 2.65Å; R335-D338 PolarHBondContact NH2-OD2 3.22Å
336V81.4Confident74.3Confident28 Ų2858.2 Ų58.217%0.1726%0.264CS..EExtended strand (participates in β ladder)trans-65.1129169.1-173.60000108.5I305 W329 V331I305-V336 HydrophobicContact CD1-CG1 4.46Å; I305-V336 HydrophobicContact CD1-CG2 3.4Å; I305-V336 VanDerWaalsContact CD1-CG2 3.4Å; I305-V336 HydrophobicContact CG2-CG2 4Å; W329-V336 HydrophobicContact CB-CG1 4.15Å; W329-V336 HydrophobicContact CG-CG1 4.22Å; V331-V336 HydrophobicContact CG2-CG2 4.21Å
337L73.1Confident73.5Confident53 Ų5351.3 Ų51.328%0.27724%0.238SC..PPolyproline II helixtrans-60.7149.4173.9-65.6-173.8000109.8R330 R332 R335 Y340R330-L337 HydrophobicContact CB-CB 4.35Å; R330-L337 HydrophobicContact CB-CD1 3.67Å; R330-L337 HydrophobicContact CB-CG 4.1Å; R330-L337 PolarHBondContact O-N 3.01Å; R332-L337 HydrophobicContact CB-CD2 3.99Å; R332-L337 HydrophobicContact CB-CG 4.49Å; R335-L337 PolarHBondContact O-N 3.1Å; L337-Y340 HydrophobicContact CB-CD2 3.91Å; L337-Y340 HydrophobicContact CB-CE2 4.01Å; L337-Y340 WeakPolarHBondContact O-CD2 3.47Å
338D56.4Low73.1Confident72 Ų7249 Ų4939%0.38523%0.23SC..THydrogen-bonded Turntrans-62.8153.4178.2-59.9-43.7000109.2R335 Y340R335-D338 IonicContact CZ-OD1 3.07Å; R335-D338 IonicContact CZ-OD2 3.19Å; R335-D338 VanDerWaalsContact NH2-CG 3.28Å; R335-D338 IonicContact NH2-OD1 2.71Å; R335-D338 PolarHBondContact NH2-OD1 2.82Å; R335-D338 IonicContact NH2-OD2 2.65Å; R335-D338 PolarHBondContact NH2-OD2 3.22Å; D338-Y340 WeakPolarHBondContact O-CD2 3.37Å; D338-Y340 PolarHBondContact O-N 2.85Å
339N56.1Low72.2Confident62 Ų6253.5 Ų53.533%0.33225%0.246SC..THydrogen-bonded Turntrans76.514.1179-46.8-29.6000116.9G187 M188G187-N339 VanDerWaalsContact C-ND2 3.34Å; G187-N339 WeakPolarHBondContact CA-ND2 3.24Å; G187-N339 WeakPolarHBondContact CA-OD1 3.5Å; M188-N339 HydrophobicContact CG-CB 4.37Å
340Y68.6Low71Confident32 Ų3254.4 Ų54.413%0.12526%0.258CS..  trans-107.1148.6170-69.3-84.5000111.4F328 W329 R330 L337 D338 M342F328-Y340 HydrophobicContact CD2-CD1 4.48Å; F328-Y340 AromaticContact CD2-CE1 3.98Å; F328-Y340 HydrophobicContact CD2-CE1 3.98Å; F328-Y340 HydrophobicContact CE1-CE1 4.47Å; F328-Y340 HydrophobicContact CE2-CD1 4.34Å; F328-Y340 AromaticContact CE2-CE1 3.44Å; F328-Y340 HydrophobicContact CE2-CE1 3.44Å; F328-Y340 VanDerWaalsContact CE2-CE1 3.44Å; F328-Y340 AromaticContact CZ-CE1 3.72Å; F328-Y340 HydrophobicContact CZ-CE1 3.72Å; F328-Y340 VanDerWaalsContact O-CD1 3.3Å; F328-Y340 WeakPolarHBondContact O-CD1 3.23Å; W329-Y340 VanDerWaalsContact CD1-CB 3.5Å; R330-Y340 HydrophobicContact CB-CD2 4.42Å; R330-Y340 HydrophobicContact CB-CE1 4.46Å; R330-Y340 HydrophobicContact CB-CE2 3.96Å; R330-Y340 WeakPolarHBondContact CD-OH 3.42Å; R330-Y340 HydrophobicContact CG-CE1 4.29Å; R330-Y340 HydrophobicContact CG-CE2 4.38Å; L337-Y340 HydrophobicContact CB-CD2 3.91Å; L337-Y340 HydrophobicContact CB-CE2 4.01Å; L337-Y340 WeakPolarHBondContact O-CD2 3.47Å; D338-Y340 WeakPolarHBondContact O-CD2 3.37Å; D338-Y340 PolarHBondContact O-N 2.85Å; Y340-M342 HydrophobicContact CD1-CB 3.78Å; Y340-M342 HydrophobicContact CE1-CB 3.75Å; Y340-M342 HydrophobicContact CE1-CE 4.19Å
341P73.6Confident70.5Confident14 Ų1453.5 Ų53.59%0.09126%0.255CS..SBendcis-74.8146.211.427.5-33.8000115Y301 W327 F328 W329Y301-P341 WeakPolarHBondContact O-CG 3.4Å; W327-P341 HydrophobicContact CB-CB 4.06Å; W327-P341 HydrophobicContact CD2-CB 4.34Å; W327-P341 HydrophobicContact CE3-CB 3.94Å; W327-P341 HydrophobicContact CE3-CG 4.36Å; W327-P341 HydrophobicContact CG-CB 4.42Å; F328-P341 WeakPolarHBondContact O-CA 3.45Å; W329-P341 HydrophobicContact CD2-CB 4.34Å; W329-P341 HydrophobicContact CZ2-CB 3.73Å; W329-P341 HydrophobicContact CZ2-CG 4.27Å
342M67.9Low70.1Confident12 Ų1254.9 Ų54.96%0.05926%0.264CS..EExtended strand (participates in β ladder)trans-118.2146174.6-170.2178.3-61.200111.3M188 W327 F328 Y340 I344 F347M188-M342 HydrophobicContact CE-CE 3.24Å; M188-M342 HydrophobicContact CE-SD 4.05Å; M188-M342 HydrophobicContact SD-CE 3.87Å; W327-M342 CarbonylContact C-O 3.6Å; W327-M342 VanDerWaalsContact CA-O 3.3Å; W327-M342 WeakPolarHBondContact CA-O 3.36Å; F328-M342 HydrophobicContact CD1-CB 4.3Å; F328-M342 WeakPolarHBondContact CD1-O 3.13Å; F328-M342 HydrophobicContact CE1-CB 3.74Å; F328-M342 HydrophobicContact CE1-CG 4.01Å; F328-M342 HydrophobicContact CE1-SD 4.25Å; F328-M342 HydrophobicContact CZ-CB 4.1Å; F328-M342 HydrophobicContact CZ-CG 4.39Å; F328-M342 HydrophobicContact CZ-SD 4.12Å; F328-M342 PolarHBondContact N-O 3.29Å; F328-M342 PolarHBondContact O-N 2.77Å; Y340-M342 HydrophobicContact CD1-CB 3.78Å; Y340-M342 HydrophobicContact CE1-CB 3.75Å; Y340-M342 HydrophobicContact CE1-CE 4.19Å; M342-I344 PolarHBondContact O-N 2.8Å; M342-F347 HydrophobicContact SD-CB 4.43Å; M342-F347 HydrophobicContact SD-CD2 4.1Å
343P70.1Confident69.5Low14 Ų1450.4 Ų50.49%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-66.1131.9174.6-18.831.1000112.2R326 W327 G345 H346 F347R326-P343 CarbonylContact O-C 3.57Å; R326-P343 WeakPolarHBondContact O-CA 3.48Å; W327-P343 HydrophobicContact CE3-CG 4.08Å; W327-P343 HydrophobicContact CH2-CG 4.26Å; W327-P343 HydrophobicContact CZ3-CG 3.65Å; P343-G345 VanDerWaalsContact C-N 3.35Å; P343-G345 PolarHBondContact O-N 3.49Å; P343-H346 HydrophobicContact CB-CB 4.07Å; P343-H346 HydrophobicContact CG-CB 4.4Å; P343-H346 VanDerWaalsContact O-CB 3.24Å; P343-H346 WeakPolarHBondContact O-CB 3.13Å; P343-H346 PolarHBondContact O-N 3.08Å; P343-F347 PolarHBondContact O-N 3.09Å
344I72.9Confident69.8Low0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-53.9-50.9178.6-65.5172.5000110.9F323 G325 R326 F328 M342 H346 F347 W348 L351F323-I344 HydrophobicContact CD1-CD1 3.73Å; F323-I344 HydrophobicContact CD1-CG1 3.96Å; F323-I344 HydrophobicContact CE1-CD1 4.5Å; F323-I344 HydrophobicContact CE1-CG1 4.39Å; G325-I344 WeakPolarHBondContact O-CD1 3.19Å; R326-I344 PolarHBondContact O-N 3.42Å; F328-I344 HydrophobicContact CB-CG1 4.14Å; F328-I344 HydrophobicContact CD1-CB 4.49Å; F328-I344 HydrophobicContact CD1-CG1 3.97Å; F328-I344 HydrophobicContact CG-CG1 4.47Å; M342-I344 PolarHBondContact O-N 2.8Å; I344-H346 PolarHBondContact O-N 2.91Å; I344-H346 VanDerWaalsContact O-N 3.14Å; I344-F347 PolarHBondContact O-N 2.92Å; I344-W348 HydrophobicContact CG2-CE3 4.06Å; I344-W348 PolarHBondContact O-N 3.45Å; I344-L351 HydrophobicContact CG2-CB 4.28Å; I344-L351 HydrophobicContact CG2-CD2 3.62Å; I344-L351 HydrophobicContact CG2-CG 4.14Å
345G56.2Low70.5Confident40 Ų4039.5 Ų39.541%0.41221%0.214SC..Hα-helixtrans-68.5-11-178.900000114.6P343P343-G345 VanDerWaalsContact C-N 3.35Å; P343-G345 PolarHBondContact O-N 3.49Å
346H61.6Low71.2Confident85 Ų8534 Ų3439%0.39420%0.196SC..Hα-helixtrans-74.5-40.6169-172.991.5000110.3S168 Y182 P343 I344S168-H346 WeakPolarHBondContact CB-O 2.91Å; S168-H346 PolarHBondContact OG-CD2 3.36Å; S168-H346 PolarHBondContact OG-O 2.66Å; Y182-H346 AromaticContact CE1-NE2 3.46Å; Y182-H346 WeakPolarHBondContact CE1-NE2 3.4Å; P343-H346 HydrophobicContact CB-CB 4.07Å; P343-H346 HydrophobicContact CG-CB 4.4Å; P343-H346 VanDerWaalsContact O-CB 3.24Å; P343-H346 WeakPolarHBondContact O-CB 3.13Å; P343-H346 PolarHBondContact O-N 3.08Å; I344-H346 PolarHBondContact O-N 2.91Å; I344-H346 VanDerWaalsContact O-N 3.14Å
347F61Low71.9Confident0 Ų032.6 Ų32.60%019%0.188CC..Hα-helixtrans-86.8-54.1-177.2-162.5-87.2000112.9F164 D167 S168 F328 M342 P343 I344 A380F164-F347 AromaticContact CE2-CE1 3.64Å; F164-F347 HydrophobicContact CE2-CE1 3.64Å; F164-F347 HydrophobicContact CE2-CE2 4.43Å; F164-F347 AromaticContact CE2-CZ 3.36Å; F164-F347 HydrophobicContact CE2-CZ 3.36Å; F164-F347 AromaticContact CZ-CE1 3.95Å; F164-F347 HydrophobicContact CZ-CE1 3.95Å; F164-F347 AromaticContact CZ-CZ 3.51Å; F164-F347 HydrophobicContact CZ-CZ 3.51Å; D167-F347 VanDerWaalsContact CA-CE2 3.46Å; D167-F347 WeakPolarHBondContact O-CE2 3.18Å; D167-F347 WeakPolarHBondContact O-CZ 3.4Å; S168-F347 WeakPolarHBondContact CA-O 3.36Å; S168-F347 WeakPolarHBondContact CB-O 3.45Å; S168-F347 WeakPolarHBondContact OG-CA 3.39Å; F328-F347 HydrophobicContact CE1-CB 3.56Å; F328-F347 HydrophobicContact CE1-CG 4.15Å; F328-F347 HydrophobicContact CE2-CG 4.43Å; F328-F347 HydrophobicContact CZ-CB 3.5Å; F328-F347 VanDerWaalsContact CZ-CB 3.5Å; F328-F347 HydrophobicContact CZ-CD1 4.17Å; F328-F347 AromaticContact CZ-CD2 3.71Å; F328-F347 HydrophobicContact CZ-CD2 3.71Å; F328-F347 HydrophobicContact CZ-CE2 4.39Å; F328-F347 AromaticContact CZ-CG 3.54Å; F328-F347 HydrophobicContact CZ-CG 3.54Å; M342-F347 HydrophobicContact SD-CB 4.43Å; M342-F347 HydrophobicContact SD-CD2 4.1Å; P343-F347 PolarHBondContact O-N 3.09Å; I344-F347 PolarHBondContact O-N 2.92Å; F347-A380 HydrophobicContact CD1-CB 4.41Å; F347-A380 HydrophobicContact CE1-CB 4.25Å
348W72.7Confident72.9Confident0 Ų030.2 Ų30.20%018%0.176CC..SBendtrans-10186.4174.4-66-77.2000110L316 F321 F323 F328 I344 G350 L351 F368 F377 E379L316-W348 HydrophobicContact CD1-CZ2 4.27Å; F321-W348 AromaticContact CD1-CH2 3.5Å; F321-W348 HydrophobicContact CD1-CH2 3.5Å; F321-W348 VanDerWaalsContact CD1-CH2 3.5Å; F321-W348 HydrophobicContact CD1-CZ2 4.14Å; F321-W348 AromaticContact CE1-CH2 3.56Å; F321-W348 HydrophobicContact CE1-CH2 3.56Å; F321-W348 AromaticContact CE1-CZ2 3.92Å; F321-W348 HydrophobicContact CE1-CZ2 3.92Å; F321-W348 HydrophobicContact CG-CH2 4.46Å; F323-W348 HydrophobicContact CE1-CE3 4.19Å; F323-W348 AromaticContact CE1-CH2 3.86Å; F323-W348 HydrophobicContact CE1-CH2 3.86Å; F323-W348 AromaticContact CE1-CZ3 3.5Å; F323-W348 HydrophobicContact CE1-CZ3 3.5Å; F323-W348 VanDerWaalsContact CE1-CZ3 3.5Å; F323-W348 AromaticContact CZ-CH2 3.73Å; F323-W348 HydrophobicContact CZ-CH2 3.73Å; F323-W348 HydrophobicContact CZ-CZ2 4.48Å; F323-W348 AromaticContact CZ-CZ3 3.89Å; F323-W348 HydrophobicContact CZ-CZ3 3.89Å; F328-W348 AromaticContact CD1-CZ3 3.85Å; F328-W348 HydrophobicContact CD1-CZ3 3.85Å; F328-W348 AromaticContact CD2-CH2 3.97Å; F328-W348 HydrophobicContact CD2-CH2 3.97Å; F328-W348 AromaticContact CD2-CZ3 3.76Å; F328-W348 HydrophobicContact CD2-CZ3 3.76Å; F328-W348 HydrophobicContact CE1-CE3 4.38Å; F328-W348 AromaticContact CE1-CZ3 3.79Å; F328-W348 HydrophobicContact CE1-CZ3 3.79Å; F328-W348 AromaticContact CE2-CH2 3.78Å; F328-W348 HydrophobicContact CE2-CH2 3.78Å; F328-W348 AromaticContact CE2-CZ3 3.67Å; F328-W348 HydrophobicContact CE2-CZ3 3.67Å; F328-W348 HydrophobicContact CG-CH2 4.47Å; F328-W348 AromaticContact CG-CZ3 3.84Å; F328-W348 HydrophobicContact CG-CZ3 3.84Å; F328-W348 HydrophobicContact CZ-CH2 4.17Å; F328-W348 AromaticContact CZ-CZ3 3.69Å; F328-W348 HydrophobicContact CZ-CZ3 3.69Å; I344-W348 HydrophobicContact CG2-CE3 4.06Å; I344-W348 PolarHBondContact O-N 3.45Å; W348-G350 PolarHBondContact O-N 3.21Å; W348-L351 HydrophobicContact CB-CB 3.69Å; W348-L351 HydrophobicContact CB-CD2 3.8Å; W348-L351 HydrophobicContact CB-CG 4.4Å; W348-L351 HydrophobicContact CD2-CD2 4.33Å; W348-L351 HydrophobicContact CE3-CD2 4.44Å; W348-L351 HydrophobicContact CG-CD2 4.1Å; W348-L351 WeakPolarHBondContact O-CB 3.32Å; W348-L351 PolarHBondContact O-N 3.29Å; W348-L351 VanDerWaalsContact O-N 3.07Å; W348-F368 AromaticContact CD1-CE2 3.92Å; W348-F368 AromaticContact CD2-CZ 3.98Å; W348-F368 HydrophobicContact CD2-CZ 3.98Å; W348-F368 AromaticContact CE2-CZ 3.54Å; W348-F368 HydrophobicContact CG-CE2 4.36Å; W348-F368 HydrophobicContact CG-CZ 4.26Å; W348-F368 AromaticContact CZ2-CZ 3.91Å; W348-F368 HydrophobicContact CZ2-CZ 3.91Å; W348-F368 AromaticContact NE1-CE2 3.8Å; W348-F368 AromaticContact NE1-CZ 3.59Å; W348-F377 HydrophobicContact CB-CD1 4.41Å; W348-F377 HydrophobicContact CB-CE1 3.76Å; W348-F377 HydrophobicContact CB-CE2 4.44Å; W348-F377 HydrophobicContact CB-CZ 3.77Å; W348-F377 AromaticContact CD1-CD1 3.56Å; W348-F377 AromaticContact CD1-CE1 3.79Å; W348-F377 AromaticContact CD1-CG 3.91Å; W348-F377 HydrophobicContact CG-CD1 4.37Å; W348-F377 HydrophobicContact CG-CE1 4.19Å; W348-F377 HydrophobicContact CG-CZ 4.42Å; W348-E379 PolarHBondContact NE1-O 3.27Å
349R68.9Low74.8Confident93 Ų9327.1 Ų27.135%0.35116%0.159SC..THydrogen-bonded Turntrans-60.8122.2179.4-65.5-176.5-171.3161.68.2110S169S169-R349 PolarHBondContact OG-NH2 3.28Å
350G65.8Low76.5Confident25 Ų2526.4 Ų26.426%0.25815%0.154SC..THydrogen-bonded Turntrans96.4-7.8-179.300000114.8W348 W375W348-G350 PolarHBondContact O-N 3.21Å; G350-W375 PolarHBondContact O-NE1 3.01Å
351L76.1Confident77.5Confident9 Ų926.3 Ų26.35%0.04715%0.153CC..SBendtrans-79.3138.7170.2-166.568.1000110.1I344 W348 I355 F368 W375 F377I344-L351 HydrophobicContact CG2-CB 4.28Å; I344-L351 HydrophobicContact CG2-CD2 3.62Å; I344-L351 HydrophobicContact CG2-CG 4.14Å; W348-L351 HydrophobicContact CB-CB 3.69Å; W348-L351 HydrophobicContact CB-CD2 3.8Å; W348-L351 HydrophobicContact CB-CG 4.4Å; W348-L351 HydrophobicContact CD2-CD2 4.33Å; W348-L351 HydrophobicContact CE3-CD2 4.44Å; W348-L351 HydrophobicContact CG-CD2 4.1Å; W348-L351 WeakPolarHBondContact O-CB 3.32Å; W348-L351 PolarHBondContact O-N 3.29Å; W348-L351 VanDerWaalsContact O-N 3.07Å; L351-I355 HydrophobicContact CD1-CG2 4.13Å; L351-I355 HydrophobicContact CD2-CG2 4.04Å; L351-I355 HydrophobicContact CG-CG2 3.97Å; L351-F368 HydrophobicContact CD1-CB 3.39Å; L351-F368 HydrophobicContact CD1-CD1 4.36Å; L351-F368 HydrophobicContact CD1-CD2 4.11Å; L351-F368 HydrophobicContact CD1-CG 3.72Å; L351-F368 HydrophobicContact CD2-CB 4.26Å; L351-F368 HydrophobicContact CD2-CD1 3.66Å; L351-F368 HydrophobicContact CD2-CD2 4.12Å; L351-F368 HydrophobicContact CD2-CE1 3.95Å; L351-F368 HydrophobicContact CD2-CE2 4.37Å; L351-F368 HydrophobicContact CD2-CG 3.75Å; L351-F368 HydrophobicContact CD2-CZ 4.3Å; L351-F368 HydrophobicContact CG-CB 4.48Å; L351-F368 HydrophobicContact CG-CG 4.44Å; L351-W375 HydrophobicContact CD1-CB 3.97Å; L351-W375 HydrophobicContact CD1-CD2 3.93Å; L351-W375 HydrophobicContact CD1-CE3 4.25Å; L351-W375 HydrophobicContact CD1-CG 3.8Å; L351-F377 HydrophobicContact CB-CE2 4.1Å; L351-F377 HydrophobicContact CB-CZ 3.95Å; L351-F377 HydrophobicContact CD1-CE2 3.91Å; L351-F377 HydrophobicContact CG-CE2 4.46Å
352P78.6Confident78.2Confident34 Ų3430.4 Ų30.422%0.22117%0.171CC..  trans-61.7152.1174.425.9-33.8000110.7D354 I355 K370 W375P352-D354 PolarHBondContact O-N 2.85Å; P352-I355 HydrophobicContact CG-CG2 4.29Å; P352-K370 HydrophobicContact CG-CB 3.94Å; P352-K370 HydrophobicContact CG-CG 3.99Å; P352-W375 VanDerWaalsContact CD-CZ2 3.5Å; P352-W375 HydrophobicContact CG-CH2 3.87Å; P352-W375 HydrophobicContact CG-CZ2 3.94Å; P352-W375 HydrophobicContact CG-CZ3 4.28Å
353G68.7Low79.1Confident32 Ų3232.6 Ų32.633%0.3318%0.183SC..SBendtrans-78.324.417900000113.8G325 R326G325-G353 CarbonylContact C-O 3.58Å; G325-G353 CarbonylContact O-C 3.59Å; R326-G353 WeakPolarHBondContact CA-O 3.48Å; R326-G353 PolarHBondContact N-O 3.27Å
354D81Confident79.8Confident73 Ų7333 Ų3339%0.3919%0.19SC..SBendtrans-164.1123.5169.563.2-42.4000107.1P352 K370P352-D354 PolarHBondContact O-N 2.85Å; D354-K370 VanDerWaalsContact CG-CE 3.42Å; D354-K370 VanDerWaalsContact CG-NZ 3.27Å; D354-K370 WeakPolarHBondContact O-CD 3.42Å; D354-K370 WeakPolarHBondContact O-CE 3.16Å; D354-K370 WeakPolarHBondContact O-CG 2.96Å; D354-K370 PolarHBondContact O-NZ 3.06Å; D354-K370 IonicContact OD1-NZ 2.73Å; D354-K370 WeakPolarHBondContact OD2-CE 3.2Å; D354-K370 IonicContact OD2-NZ 2.81Å; D354-K370 PolarHBondContact OD2-NZ 3.16Å
355I91.7Very high80.6Confident0 Ų036.9 Ų36.90%020%0.204CC..  trans-121.9150.8-175.357166.1000109.9T312 F323 L351 P352 A358 F368T312-I355 HydrophobicContact CG2-CD1 3.76Å; T312-I355 HydrophobicContact CG2-CG1 3.89Å; F323-I355 HydrophobicContact CB-CD1 4.24Å; F323-I355 HydrophobicContact CB-CG1 4.15Å; F323-I355 HydrophobicContact CD1-CD1 3.61Å; F323-I355 HydrophobicContact CD1-CG1 4.13Å; F323-I355 HydrophobicContact CD2-CD1 3.89Å; F323-I355 HydrophobicContact CE1-CD1 3.82Å; F323-I355 HydrophobicContact CE2-CD1 4.08Å; F323-I355 HydrophobicContact CG-CD1 3.65Å; F323-I355 HydrophobicContact CG-CG1 4.09Å; F323-I355 HydrophobicContact CZ-CD1 4.06Å; L351-I355 HydrophobicContact CD1-CG2 4.13Å; L351-I355 HydrophobicContact CD2-CG2 4.04Å; L351-I355 HydrophobicContact CG-CG2 3.97Å; P352-I355 HydrophobicContact CG-CG2 4.29Å; I355-A358 HydrophobicContact CD1-CB 4.11Å; I355-F368 HydrophobicContact CD1-CD1 3.62Å; I355-F368 HydrophobicContact CD1-CE1 4.11Å
356D93.4Very high82.4Confident35 Ų3535.1 Ų35.119%0.18719%0.185CC..SBendtrans-92.9-38.4-177.2-58.4-27.6000111.3F369 K370 G371D356-F369 PolarHBondContact N-O 2.81Å; D356-K370 WeakPolarHBondContact OD1-CD 3.21Å; D356-K370 IonicContact OD1-NZ 3.87Å; D356-K370 PolarHBondContact OD1-NZ 3.29Å; D356-G371 PolarHBondContact OD2-N 3.32Å
357A95.2Very high84Confident0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-151.3153.4177.900000111.4F369 I402 A405A357-F369 HydrophobicContact CB-CB 4.34Å; A357-F369 HydrophobicContact CB-CD2 4.05Å; A357-F369 PolarHBondContact N-O 2.88Å; A357-F369 PolarHBondContact O-N 3.48Å; A357-I402 HydrophobicContact CB-CG2 4.18Å; A357-A405 HydrophobicContact CB-CB 4.5Å
358A95.6Very high85.6Confident3 Ų331 Ų313%0.02517%0.166CC..EExtended strand (participates in β ladder)trans-144.1147.4172.100000110.7A314 I355 V367 F368A314-A358 HydrophobicContact CB-CB 3.95Å; A314-A358 VanDerWaalsContact CB-O 3.25Å; A314-A358 WeakPolarHBondContact CB-O 3.39Å; I355-A358 HydrophobicContact CD1-CB 4.11Å; A358-V367 VanDerWaalsContact CA-O 3.28Å; A358-V367 WeakPolarHBondContact CA-O 3.47Å; A358-F368 HydrophobicContact CB-CD1 3.54Å; A358-F368 HydrophobicContact CB-CE1 3.75Å; A358-F368 HydrophobicContact CB-CG 4.44Å
359Y95.1Very high86.7Confident6 Ų631 Ų312%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-156.5163.3170.778.6-70.5000111.7R361 V367 F369 Y393 A405 W407 T414 F416 E427Y359-R361 HydrophobicContact CE2-CG 3.73Å; Y359-V367 HydrophobicContact CD1-CB 3.93Å; Y359-V367 HydrophobicContact CE1-CB 3.52Å; Y359-V367 HydrophobicContact CE1-CG1 3.95Å; Y359-V367 HydrophobicContact CE1-CG2 3.9Å; Y359-V367 PolarHBondContact N-O 2.9Å; Y359-V367 PolarHBondContact O-N 2.96Å; Y359-F369 AromaticContact CD1-CE2 3.76Å; Y359-F369 HydrophobicContact CD1-CE2 3.76Å; Y359-F369 AromaticContact CE1-CE2 3.51Å; Y359-F369 HydrophobicContact CE1-CE2 3.51Å; Y359-F369 AromaticContact CE1-CZ 3.81Å; Y359-F369 HydrophobicContact CE1-CZ 3.81Å; Y359-Y393 PolarHBondContact OH-OH 2.96Å; Y359-A405 HydrophobicContact CD1-CB 3.45Å; Y359-A405 VanDerWaalsContact CD1-CB 3.45Å; Y359-A405 HydrophobicContact CE1-CB 4.01Å; Y359-A405 HydrophobicContact CG-CB 3.95Å; Y359-W407 HydrophobicContact CD2-CB 3.98Å; Y359-W407 HydrophobicContact CE2-CB 4.24Å; Y359-T414 HydrophobicContact CD2-CG2 4.24Å; Y359-T414 HydrophobicContact CE1-CG2 4.34Å; Y359-T414 HydrophobicContact CE2-CG2 3.51Å; Y359-F416 HydrophobicContact CE1-CE1 4.02Å; Y359-E427 PolarHBondContact OH-OE1 3.47Å
360E92.6Very high87.8Confident48 Ų4829 Ų2922%0.22416%0.16CC..EExtended strand (participates in β ladder)trans-97.2130.3171.8-179.8171.7-163.600110.3L316 R317 F366 W407L316-E360 HydrophobicContact CD2-CB 3.99Å; R317-E360 PolarHBondContact N-OE2 2.97Å; E360-F366 HydrophobicContact CB-CD1 4.12Å; E360-F366 HydrophobicContact CB-CE1 4.44Å; E360-F366 HydrophobicContact CG-CD1 4.03Å; E360-F366 HydrophobicContact CG-CE1 4.06Å; E360-W407 VanDerWaalsContact O-CB 3.27Å; E360-W407 WeakPolarHBondContact O-CB 3.35Å
361R90.1Very high89Confident29 Ų2929 Ų2911%0.10916%0.16CC..  trans-80.7164.6175.4-69.1175.881.6-146.56.9110.9Y359 D363 G364 R365 V367 E427Y359-R361 HydrophobicContact CE2-CG 3.73Å; R361-D363 WeakPolarHBondContact CB-OD1 3.41Å; R361-D363 IonicContact NH1-OD1 3.34Å; R361-D363 IonicContact NH1-OD2 3.99Å; R361-D363 PolarHBondContact NH1-OD2 3.21Å; R361-D363 VanDerWaalsContact NH1-OD2 3.1Å; R361-D363 PolarHBondContact O-N 3.44Å; R361-D363 VanDerWaalsContact O-N 3.08Å; R361-G364 PolarHBondContact O-N 2.92Å; R361-R365 PolarHBondContact N-O 3.1Å; R361-V367 VanDerWaalsContact CD-CG2 3.43Å; R361-V367 HydrophobicContact CG-CG2 3.64Å; R361-E427 IonicContact CZ-OE2 3.9Å; R361-E427 IonicContact NE-OE1 2.9Å; R361-E427 IonicContact NE-OE2 3.93Å; R361-E427 PolarHBondContact NE-OE2 3.45Å; R361-E427 IonicContact NH2-OE2 2.99Å; R361-E427 PolarHBondContact NH2-OE2 2.92Å
362H86.8Confident89.7Confident100 Ų10032.3 Ų32.346%0.46318%0.178SC..THydrogen-bonded Turntrans-57.9-22.1175.173.2-84.2000114.5G364 W407H362-G364 VanDerWaalsContact C-N 3.29Å; H362-W407 HydrophobicContact CB-CD2 4.25Å; H362-W407 HydrophobicContact CB-CH2 4.11Å; H362-W407 HydrophobicContact CB-CZ2 3.53Å
363D87.1Confident90.3Very high59 Ų5934.6 Ų34.632%0.31618%0.182SC..THydrogen-bonded Turntrans-87.86.1175.869.7-14.6000113.4R361 R365R361-D363 WeakPolarHBondContact CB-OD1 3.41Å; R361-D363 IonicContact NH1-OD1 3.34Å; R361-D363 IonicContact NH1-OD2 3.99Å; R361-D363 PolarHBondContact NH1-OD2 3.21Å; R361-D363 VanDerWaalsContact NH1-OD2 3.1Å; R361-D363 PolarHBondContact O-N 3.44Å; R361-D363 VanDerWaalsContact O-N 3.08Å; D363-R365 VanDerWaalsContact C-N 3.27Å; D363-R365 PolarHBondContact O-N 2.89Å; D363-R365 WeakPolarHBondContact OD1-CB 3.33Å; D363-R365 PolarHBondContact OD1-N 3.35Å; D363-R365 IonicContact OD2-CZ 3.57Å; D363-R365 VanDerWaalsContact OD2-CZ 3.26Å; D363-R365 IonicContact OD2-NE 2.68Å; D363-R365 PolarHBondContact OD2-NE 3.42Å; D363-R365 IonicContact OD2-NH2 3.67Å; D363-R365 PolarHBondContact OD2-NH2 3.07Å
364G84.9Confident91.6Very high23 Ų2333.3 Ų33.324%0.23717%0.167CC..SBendtrans76.39179.500000114.4R361 H362R361-G364 PolarHBondContact O-N 2.92Å; H362-G364 VanDerWaalsContact C-N 3.29Å
365R89.9Confident92.1Very high81 Ų8130.7 Ų30.731%0.30615%0.152SC..  trans-87.3146173.3-71.9-170.3-91.1-160.2-8.7111.4R361 D363 L376 F377 E383R361-R365 PolarHBondContact N-O 3.1Å; D363-R365 VanDerWaalsContact C-N 3.27Å; D363-R365 PolarHBondContact O-N 2.89Å; D363-R365 WeakPolarHBondContact OD1-CB 3.33Å; D363-R365 PolarHBondContact OD1-N 3.35Å; D363-R365 IonicContact OD2-CZ 3.57Å; D363-R365 VanDerWaalsContact OD2-CZ 3.26Å; D363-R365 IonicContact OD2-NE 2.68Å; D363-R365 PolarHBondContact OD2-NE 3.42Å; D363-R365 IonicContact OD2-NH2 3.67Å; D363-R365 PolarHBondContact OD2-NH2 3.07Å; R365-L376 HydrophobicContact CB-CD1 3.78Å; R365-L376 HydrophobicContact CB-CG 4.36Å; R365-F377 WeakPolarHBondContact CA-O 3.28Å; R365-F377 WeakPolarHBondContact CB-O 3.31Å; R365-E383 IonicContact NH1-OE2 3.66Å; R365-E383 PolarHBondContact NH1-OE2 3.04Å
366F93.4Very high92.2Very high2 Ų231.1 Ų31.11%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-96130.4180-50.1-25.5000109.6L316 R317 E360 F368 F377 E379L316-F366 HydrophobicContact CB-CD1 4.4Å; L316-F366 HydrophobicContact CB-CE1 4.12Å; L316-F366 HydrophobicContact CB-CZ 4.18Å; L316-F366 HydrophobicContact CD1-CD2 4.29Å; L316-F366 HydrophobicContact CD1-CG 4.39Å; L316-F366 HydrophobicContact CD2-CB 4.45Å; L316-F366 HydrophobicContact CD2-CD1 3.98Å; L316-F366 HydrophobicContact CD2-CG 4.18Å; R317-F366 HydrophobicContact CG-CE1 3.96Å; R317-F366 HydrophobicContact CG-CZ 3.74Å; E360-F366 HydrophobicContact CB-CD1 4.12Å; E360-F366 HydrophobicContact CB-CE1 4.44Å; E360-F366 HydrophobicContact CG-CD1 4.03Å; E360-F366 HydrophobicContact CG-CE1 4.06Å; F366-F368 HydrophobicContact CB-CD2 4.43Å; F366-F368 HydrophobicContact CB-CE2 3.7Å; F366-F368 HydrophobicContact CB-CZ 4.18Å; F366-F377 HydrophobicContact CB-CB 4.29Å; F366-F377 PolarHBondContact N-O 3.5Å; F366-F377 PolarHBondContact O-N 3.33Å; F366-E379 WeakPolarHBondContact CD2-O 3.48Å; F366-E379 WeakPolarHBondContact CE2-O 3.06Å
367V95.2Very high91.8Very high0 Ų029.5 Ų29.50%015%0.145CC..EExtended strand (participates in β ladder)trans-111127.8175.3-174.20000108.3A358 Y359 R361 F369 F374 W375 L376 Y393A358-V367 VanDerWaalsContact CA-O 3.28Å; A358-V367 WeakPolarHBondContact CA-O 3.47Å; Y359-V367 HydrophobicContact CD1-CB 3.93Å; Y359-V367 HydrophobicContact CE1-CB 3.52Å; Y359-V367 HydrophobicContact CE1-CG1 3.95Å; Y359-V367 HydrophobicContact CE1-CG2 3.9Å; Y359-V367 PolarHBondContact N-O 2.9Å; Y359-V367 PolarHBondContact O-N 2.96Å; R361-V367 VanDerWaalsContact CD-CG2 3.43Å; R361-V367 HydrophobicContact CG-CG2 3.64Å; V367-F369 HydrophobicContact CB-CE2 4.39Å; V367-F369 HydrophobicContact CB-CZ 4.41Å; V367-F369 HydrophobicContact CG1-CD1 4.44Å; V367-F369 HydrophobicContact CG1-CD2 4.33Å; V367-F369 HydrophobicContact CG1-CE1 3.78Å; V367-F369 HydrophobicContact CG1-CE2 3.7Å; V367-F369 HydrophobicContact CG1-CZ 3.39Å; V367-F374 HydrophobicContact CG1-CB 4.43Å; V367-F374 HydrophobicContact CG1-CD2 4.22Å; V367-W375 WeakPolarHBondContact CA-O 3.33Å; V367-L376 HydrophobicContact CG2-CD1 3.7Å; V367-Y393 HydrophobicContact CG1-CE2 3.86Å; V367-Y393 HydrophobicContact CG2-CE2 4.27Å
368F94.9Very high91Very high0 Ų037 Ų370%017%0.174CC..EExtended strand (participates in β ladder)trans-115.5136.8174.5-61.6-89.2000109.7L316 F323 W348 L351 I355 A358 F366 F374 W375 F377L316-F368 HydrophobicContact CD1-CE1 4.49Å; L316-F368 HydrophobicContact CD1-CZ 4.19Å; F323-F368 HydrophobicContact CE1-CE1 4.31Å; F323-F368 AromaticContact CZ-CE1 3.86Å; F323-F368 HydrophobicContact CZ-CE1 3.86Å; W348-F368 AromaticContact CD1-CE2 3.92Å; W348-F368 AromaticContact CD2-CZ 3.98Å; W348-F368 HydrophobicContact CD2-CZ 3.98Å; W348-F368 AromaticContact CE2-CZ 3.54Å; W348-F368 HydrophobicContact CG-CE2 4.36Å; W348-F368 HydrophobicContact CG-CZ 4.26Å; W348-F368 AromaticContact CZ2-CZ 3.91Å; W348-F368 HydrophobicContact CZ2-CZ 3.91Å; W348-F368 AromaticContact NE1-CE2 3.8Å; W348-F368 AromaticContact NE1-CZ 3.59Å; L351-F368 HydrophobicContact CD1-CB 3.39Å; L351-F368 HydrophobicContact CD1-CD1 4.36Å; L351-F368 HydrophobicContact CD1-CD2 4.11Å; L351-F368 HydrophobicContact CD1-CG 3.72Å; L351-F368 HydrophobicContact CD2-CB 4.26Å; L351-F368 HydrophobicContact CD2-CD1 3.66Å; L351-F368 HydrophobicContact CD2-CD2 4.12Å; L351-F368 HydrophobicContact CD2-CE1 3.95Å; L351-F368 HydrophobicContact CD2-CE2 4.37Å; L351-F368 HydrophobicContact CD2-CG 3.75Å; L351-F368 HydrophobicContact CD2-CZ 4.3Å; L351-F368 HydrophobicContact CG-CB 4.48Å; L351-F368 HydrophobicContact CG-CG 4.44Å; I355-F368 HydrophobicContact CD1-CD1 3.62Å; I355-F368 HydrophobicContact CD1-CE1 4.11Å; A358-F368 HydrophobicContact CB-CD1 3.54Å; A358-F368 HydrophobicContact CB-CE1 3.75Å; A358-F368 HydrophobicContact CB-CG 4.44Å; F366-F368 HydrophobicContact CB-CD2 4.43Å; F366-F368 HydrophobicContact CB-CE2 3.7Å; F366-F368 HydrophobicContact CB-CZ 4.18Å; F368-F374 CarbonylContact O-C 3.44Å; F368-F374 WeakPolarHBondContact O-CA 3.42Å; F368-W375 HydrophobicContact CB-CB 4.46Å; F368-W375 PolarHBondContact N-O 2.9Å; F368-W375 PolarHBondContact O-N 3.05Å; F368-F377 AromaticContact CD2-CD2 3.57Å; F368-F377 HydrophobicContact CD2-CD2 3.57Å; F368-F377 HydrophobicContact CD2-CE2 4.09Å; F368-F377 HydrophobicContact CD2-CG 4.33Å; F368-F377 HydrophobicContact CE2-CB 4.15Å; F368-F377 AromaticContact CE2-CD2 3.79Å; F368-F377 HydrophobicContact CE2-CD2 3.79Å; F368-F377 HydrophobicContact CE2-CE2 4.45Å; F368-F377 HydrophobicContact CE2-CG 4.11Å
369F95.2Very high90Very high0 Ų038.2 Ų38.20%018%0.179CC..EExtended strand (participates in β ladder)trans-114.6138.3178.9-60.4-76.9000111.1D356 A357 Y359 V367 F374 L390 Y393 I402 A405 F416D356-F369 PolarHBondContact N-O 2.81Å; A357-F369 HydrophobicContact CB-CB 4.34Å; A357-F369 HydrophobicContact CB-CD2 4.05Å; A357-F369 PolarHBondContact N-O 2.88Å; A357-F369 PolarHBondContact O-N 3.48Å; Y359-F369 AromaticContact CD1-CE2 3.76Å; Y359-F369 HydrophobicContact CD1-CE2 3.76Å; Y359-F369 AromaticContact CE1-CE2 3.51Å; Y359-F369 HydrophobicContact CE1-CE2 3.51Å; Y359-F369 AromaticContact CE1-CZ 3.81Å; Y359-F369 HydrophobicContact CE1-CZ 3.81Å; V367-F369 HydrophobicContact CB-CE2 4.39Å; V367-F369 HydrophobicContact CB-CZ 4.41Å; V367-F369 HydrophobicContact CG1-CD1 4.44Å; V367-F369 HydrophobicContact CG1-CD2 4.33Å; V367-F369 HydrophobicContact CG1-CE1 3.78Å; V367-F369 HydrophobicContact CG1-CE2 3.7Å; V367-F369 HydrophobicContact CG1-CZ 3.39Å; F369-F374 HydrophobicContact CD1-CB 3.59Å; F369-F374 HydrophobicContact CE1-CB 3.73Å; F369-F374 HydrophobicContact CE1-CG 4.49Å; F369-L390 HydrophobicContact CD1-CD1 3.83Å; F369-L390 HydrophobicContact CE1-CD1 3.64Å; F369-Y393 HydrophobicContact CE1-CD2 4.34Å; F369-Y393 HydrophobicContact CZ-CE2 4.48Å; F369-I402 HydrophobicContact CB-CB 4.46Å; F369-I402 HydrophobicContact CD1-CD1 3.87Å; F369-I402 HydrophobicContact CD2-CB 4.43Å; F369-I402 HydrophobicContact CD2-CD1 4.42Å; F369-I402 HydrophobicContact CD2-CG2 4.37Å; F369-I402 HydrophobicContact CE1-CD1 3.64Å; F369-I402 HydrophobicContact CE2-CD1 4.18Å; F369-I402 HydrophobicContact CG-CB 4.27Å; F369-I402 HydrophobicContact CG-CD1 4.25Å; F369-I402 HydrophobicContact CZ-CD1 3.79Å; F369-A405 HydrophobicContact CD2-CB 4.32Å; F369-A405 HydrophobicContact CE2-CB 3.84Å; F369-F416 HydrophobicContact CE2-CE1 4.02Å; F369-F416 AromaticContact CZ-CE1 3.8Å; F369-F416 HydrophobicContact CZ-CE1 3.8Å; F369-F416 HydrophobicContact CZ-CZ 4.28Å
370K92.6Very high88.7Confident51 Ų5138 Ų3822%0.22218%0.179CC..EExtended strand (participates in β ladder)trans-147.1114.5169.6-178.253.1164.2-166.30110.4P352 D354 D356 N372 R373 W375P352-K370 HydrophobicContact CG-CB 3.94Å; P352-K370 HydrophobicContact CG-CG 3.99Å; D354-K370 VanDerWaalsContact CG-CE 3.42Å; D354-K370 VanDerWaalsContact CG-NZ 3.27Å; D354-K370 WeakPolarHBondContact O-CD 3.42Å; D354-K370 WeakPolarHBondContact O-CE 3.16Å; D354-K370 WeakPolarHBondContact O-CG 2.96Å; D354-K370 PolarHBondContact O-NZ 3.06Å; D354-K370 IonicContact OD1-NZ 2.73Å; D354-K370 WeakPolarHBondContact OD2-CE 3.2Å; D354-K370 IonicContact OD2-NZ 2.81Å; D354-K370 PolarHBondContact OD2-NZ 3.16Å; D356-K370 WeakPolarHBondContact OD1-CD 3.21Å; D356-K370 IonicContact OD1-NZ 3.87Å; D356-K370 PolarHBondContact OD1-NZ 3.29Å; K370-N372 PolarHBondContact O-N 2.89Å; K370-R373 PolarHBondContact N-O 2.74Å; K370-R373 PolarHBondContact O-N 3.43Å; K370-R373 VanDerWaalsContact O-N 3.14Å; K370-W375 HydrophobicContact CB-CH2 3.99Å; K370-W375 HydrophobicContact CB-CZ3 3.64Å
371G90.9Very high87.6Confident25 Ų2538.9 Ų38.926%0.25819%0.185SC..THydrogen-bonded Turntrans52-128.8-172.100000110.4D356 R373 D400 R401D356-G371 PolarHBondContact OD2-N 3.32Å; G371-R373 VanDerWaalsContact C-N 3.26Å; G371-R373 PolarHBondContact O-N 2.69Å; G371-D400 CarbonylContact C-O 3.47Å; G371-R401 WeakPolarHBondContact O-CA 3.3Å
372N91.3Very high87.1Confident77 Ų7740.2 Ų40.241%0.41219%0.194SC..THydrogen-bonded Turntrans-87.617.9-176.976.4-39000113.8K370 L390 D400K370-N372 PolarHBondContact O-N 2.89Å; N372-L390 WeakPolarHBondContact O-CB 3.36Å; N372-L390 PolarHBondContact O-N 3.22Å; N372-D400 VanDerWaalsContact CA-O 3.26Å; N372-D400 WeakPolarHBondContact CA-O 3.17Å; N372-D400 PolarHBondContact N-O 3.39Å
373R91.6Very high86.9Confident82 Ų8237.6 Ų37.631%0.30918%0.182SC..EExtended strand (participates in β ladder)trans-129157.6-177.9-63.5-169.3-138.6174.98112.2K370 G371 W375 P387 L388K370-R373 PolarHBondContact N-O 2.74Å; K370-R373 PolarHBondContact O-N 3.43Å; K370-R373 VanDerWaalsContact O-N 3.14Å; G371-R373 VanDerWaalsContact C-N 3.26Å; G371-R373 PolarHBondContact O-N 2.69Å; R373-W375 HydrophobicContact CB-CH2 3.77Å; R373-W375 HydrophobicContact CB-CZ3 3.73Å; R373-P387 HydrophobicContact CB-CB 4.43Å; R373-L388 WeakPolarHBondContact CA-O 3.43Å
374F94.4Very high86.4Confident6 Ų640.1 Ų40.13%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-135.6156.1173.478.8-80.6000112.4V367 F368 F369 Y386 P387 L388 D389 Y393V367-F374 HydrophobicContact CG1-CB 4.43Å; V367-F374 HydrophobicContact CG1-CD2 4.22Å; F368-F374 CarbonylContact O-C 3.44Å; F368-F374 WeakPolarHBondContact O-CA 3.42Å; F369-F374 HydrophobicContact CD1-CB 3.59Å; F369-F374 HydrophobicContact CE1-CB 3.73Å; F369-F374 HydrophobicContact CE1-CG 4.49Å; F374-Y386 HydrophobicContact CD2-CD1 4.26Å; F374-Y386 AromaticContact CD2-CE1 3.85Å; F374-Y386 HydrophobicContact CD2-CE1 3.85Å; F374-Y386 HydrophobicContact CE1-CE1 4.44Å; F374-Y386 AromaticContact CE2-CD1 3.97Å; F374-Y386 HydrophobicContact CE2-CD1 3.97Å; F374-Y386 AromaticContact CE2-CE1 3.15Å; F374-Y386 HydrophobicContact CE2-CE1 3.15Å; F374-Y386 AromaticContact CE2-CZ 3.94Å; F374-Y386 HydrophobicContact CZ-CD1 4.38Å; F374-Y386 AromaticContact CZ-CE1 3.52Å; F374-Y386 HydrophobicContact CZ-CE1 3.52Å; F374-P387 VanDerWaalsContact O-CA 3.31Å; F374-P387 WeakPolarHBondContact O-CA 3.5Å; F374-P387 WeakPolarHBondContact O-CB 3.15Å; F374-L388 HydrophobicContact CD1-CB 4.21Å; F374-L388 WeakPolarHBondContact CD1-O 3.02Å; F374-L388 HydrophobicContact CE1-CB 3.53Å; F374-L388 HydrophobicContact CZ-CB 3.91Å; F374-L388 HydrophobicContact CZ-CD1 4.23Å; F374-L388 PolarHBondContact N-O 3.03Å; F374-L388 PolarHBondContact O-N 3.39Å; F374-D389 WeakPolarHBondContact CE1-O 3.26Å; F374-Y393 AromaticContact CD1-CD2 3.93Å; F374-Y393 HydrophobicContact CD1-CD2 3.93Å; F374-Y393 HydrophobicContact CD1-CG 4.46Å; F374-Y393 AromaticContact CD2-CD2 3.43Å; F374-Y393 HydrophobicContact CD2-CD2 3.43Å; F374-Y393 VanDerWaalsContact CD2-CD2 3.43Å; F374-Y393 AromaticContact CD2-CE2 3.84Å; F374-Y393 HydrophobicContact CD2-CE2 3.84Å; F374-Y393 AromaticContact CE1-CD2 3.83Å; F374-Y393 HydrophobicContact CE1-CD2 3.83Å; F374-Y393 HydrophobicContact CE1-CG 4.31Å; F374-Y393 AromaticContact CE2-CD2 3.29Å; F374-Y393 HydrophobicContact CE2-CD2 3.29Å; F374-Y393 AromaticContact CE2-CE2 3.74Å; F374-Y393 HydrophobicContact CE2-CE2 3.74Å; F374-Y393 HydrophobicContact CE2-CG 4.43Å; F374-Y393 AromaticContact CG-CD2 3.72Å; F374-Y393 HydrophobicContact CG-CD2 3.72Å; F374-Y393 HydrophobicContact CG-CE2 4.46Å; F374-Y393 AromaticContact CZ-CD2 3.5Å; F374-Y393 HydrophobicContact CZ-CD2 3.5Å; F374-Y393 VanDerWaalsContact CZ-CD2 3.5Å; F374-Y393 HydrophobicContact CZ-CE2 4.34Å; F374-Y393 HydrophobicContact CZ-CG 4.27Å
375W92.8Very high86Confident18 Ų1842 Ų427%0.06822%0.221CC..EExtended strand (participates in β ladder)trans-123.9133.8175.4-65.6-114000108.2G350 L351 P352 V367 F368 K370 R373 F377 L382 P387G350-W375 PolarHBondContact O-NE1 3.01Å; L351-W375 HydrophobicContact CD1-CB 3.97Å; L351-W375 HydrophobicContact CD1-CD2 3.93Å; L351-W375 HydrophobicContact CD1-CE3 4.25Å; L351-W375 HydrophobicContact CD1-CG 3.8Å; P352-W375 VanDerWaalsContact CD-CZ2 3.5Å; P352-W375 HydrophobicContact CG-CH2 3.87Å; P352-W375 HydrophobicContact CG-CZ2 3.94Å; P352-W375 HydrophobicContact CG-CZ3 4.28Å; V367-W375 WeakPolarHBondContact CA-O 3.33Å; F368-W375 HydrophobicContact CB-CB 4.46Å; F368-W375 PolarHBondContact N-O 2.9Å; F368-W375 PolarHBondContact O-N 3.05Å; K370-W375 HydrophobicContact CB-CH2 3.99Å; K370-W375 HydrophobicContact CB-CZ3 3.64Å; R373-W375 HydrophobicContact CB-CH2 3.77Å; R373-W375 HydrophobicContact CB-CZ3 3.73Å; W375-F377 HydrophobicContact CB-CD2 3.94Å; W375-F377 HydrophobicContact CB-CE2 3.6Å; W375-F377 HydrophobicContact CG-CE2 4.19Å; W375-L382 HydrophobicContact CB-CD1 4.05Å; W375-L382 HydrophobicContact CG-CD1 4.31Å; W375-P387 HydrophobicContact CD2-CB 3.8Å; W375-P387 VanDerWaalsContact CE2-CB 3.43Å; W375-P387 HydrophobicContact CE3-CB 4.38Å; W375-P387 HydrophobicContact CG-CB 4.17Å; W375-P387 HydrophobicContact CH2-CB 4.19Å; W375-P387 HydrophobicContact CZ2-CB 3.65Å; W375-P387 HydrophobicContact CZ2-CG 3.78Å
376L92.1Very high85.7Confident9 Ų940.9 Ų40.95%0.04722%0.217CC..EExtended strand (participates in β ladder)trans-104.4124.1171.3-170.868.2000108.6R365 V367 E383 Y386R365-L376 HydrophobicContact CB-CD1 3.78Å; R365-L376 HydrophobicContact CB-CG 4.36Å; V367-L376 HydrophobicContact CG2-CD1 3.7Å; L376-E383 HydrophobicContact CB-CB 4.44Å; L376-E383 HydrophobicContact CB-CG 4.41Å; L376-E383 HydrophobicContact CD2-CG 4.19Å; L376-E383 HydrophobicContact CG-CG 4.14Å; L376-E383 WeakPolarHBondContact O-CB 3.4Å; L376-E383 PolarHBondContact O-N 2.86Å; L376-Y386 HydrophobicContact CB-CD1 4.18Å; L376-Y386 HydrophobicContact CB-CD2 3.92Å; L376-Y386 HydrophobicContact CB-CE1 3.82Å; L376-Y386 HydrophobicContact CB-CE2 3.47Å; L376-Y386 VanDerWaalsContact CB-CE2 3.47Å; L376-Y386 HydrophobicContact CB-CG 4.24Å; L376-Y386 HydrophobicContact CD2-CE2 3.96Å; L376-Y386 WeakPolarHBondContact CD2-OH 3.34Å; L376-Y386 HydrophobicContact CG-CE2 4.33Å
377F85.1Confident85.4Confident0 Ų042.7 Ų42.70%023%0.229CC..EExtended strand (participates in β ladder)trans-115135.5176.7-80.3-100.1000109.9W348 L351 R365 F366 F368 W375 A380 N381 L382W348-F377 HydrophobicContact CB-CD1 4.41Å; W348-F377 HydrophobicContact CB-CE1 3.76Å; W348-F377 HydrophobicContact CB-CE2 4.44Å; W348-F377 HydrophobicContact CB-CZ 3.77Å; W348-F377 AromaticContact CD1-CD1 3.56Å; W348-F377 AromaticContact CD1-CE1 3.79Å; W348-F377 AromaticContact CD1-CG 3.91Å; W348-F377 HydrophobicContact CG-CD1 4.37Å; W348-F377 HydrophobicContact CG-CE1 4.19Å; W348-F377 HydrophobicContact CG-CZ 4.42Å; L351-F377 HydrophobicContact CB-CE2 4.1Å; L351-F377 HydrophobicContact CB-CZ 3.95Å; L351-F377 HydrophobicContact CD1-CE2 3.91Å; L351-F377 HydrophobicContact CG-CE2 4.46Å; R365-F377 WeakPolarHBondContact CA-O 3.28Å; R365-F377 WeakPolarHBondContact CB-O 3.31Å; F366-F377 HydrophobicContact CB-CB 4.29Å; F366-F377 PolarHBondContact N-O 3.5Å; F366-F377 PolarHBondContact O-N 3.33Å; F368-F377 AromaticContact CD2-CD2 3.57Å; F368-F377 HydrophobicContact CD2-CD2 3.57Å; F368-F377 HydrophobicContact CD2-CE2 4.09Å; F368-F377 HydrophobicContact CD2-CG 4.33Å; F368-F377 HydrophobicContact CE2-CB 4.15Å; F368-F377 AromaticContact CE2-CD2 3.79Å; F368-F377 HydrophobicContact CE2-CD2 3.79Å; F368-F377 HydrophobicContact CE2-CE2 4.45Å; F368-F377 HydrophobicContact CE2-CG 4.11Å; W375-F377 HydrophobicContact CB-CD2 3.94Å; W375-F377 HydrophobicContact CB-CE2 3.6Å; W375-F377 HydrophobicContact CG-CE2 4.19Å; F377-A380 WeakPolarHBondContact CD1-O 3.49Å; F377-A380 WeakPolarHBondContact CE1-O 3.3Å; F377-N381 CarbonylContact C-O 3.6Å; F377-N381 VanDerWaalsContact CA-O 3.23Å; F377-N381 WeakPolarHBondContact CA-O 3.41Å; F377-N381 WeakPolarHBondContact CD1-O 3.27Å; F377-L382 HydrophobicContact CD1-CB 4.16Å; F377-L382 HydrophobicContact CD2-CD1 3.99Å; F377-L382 HydrophobicContact CE1-CB 3.64Å; F377-L382 HydrophobicContact CE1-CD1 4.22Å; F377-L382 HydrophobicContact CE2-CD1 3.56Å; F377-L382 HydrophobicContact CZ-CB 3.85Å; F377-L382 HydrophobicContact CZ-CD1 3.68Å; F377-L382 HydrophobicContact CZ-CG 4.28Å
378R80.3Confident85.2Confident159 Ų15945.6 Ų45.660%0.624%0.244SC*.EExtended strand (participates in β ladder)trans-91.298.2158.2-174.5176.2178.4-170.7-3.4106.1A380 N381R378-A380 PolarHBondContact O-N 3.28Å; R378-A380 VanDerWaalsContact O-N 3.16Å; R378-N381 PolarHBondContact N-O 2.89Å; R378-N381 PolarHBondContact O-N 2.88Å
379E73.1Confident85Confident27 Ų2748.4 Ų48.413%0.12626%0.259CS..THydrogen-bonded Turntrans66.2-107.9-177.5-46.7173.2146.200111.9F164 R317 W348 F366F164-E379 HydrophobicContact CB-CB 3.54Å; F164-E379 HydrophobicContact CB-CG 3.73Å; F164-E379 WeakPolarHBondContact CB-OE2 3.31Å; F164-E379 HydrophobicContact CD2-CB 3.77Å; F164-E379 HydrophobicContact CG-CB 3.76Å; F164-E379 HydrophobicContact CG-CG 4.31Å; F164-E379 PolarHBondContact N-OE2 2.77Å; F164-E379 VanDerWaalsContact N-OE2 3.11Å; R317-E379 VanDerWaalsContact CZ-CG 3.49Å; R317-E379 IonicContact CZ-OE1 3.83Å; R317-E379 IonicContact NH1-OE1 3.88Å; R317-E379 PolarHBondContact NH1-OE1 2.81Å; R317-E379 IonicContact NH2-OE1 2.88Å; R317-E379 PolarHBondContact NH2-OE1 2.69Å; W348-E379 PolarHBondContact NE1-O 3.27Å; F366-E379 WeakPolarHBondContact CD2-O 3.48Å; F366-E379 WeakPolarHBondContact CE2-O 3.06Å
380A68.8Low84.9Confident3 Ų348.4 Ų48.43%0.02526%0.26CS..THydrogen-bonded Turntrans-102.6-7.2173.500000113.2F164 P170 F347 F377 R378F164-A380 HydrophobicContact CD2-CB 4.03Å; F164-A380 HydrophobicContact CE2-CB 4.01Å; P170-A380 HydrophobicContact CG-CB 4.28Å; F347-A380 HydrophobicContact CD1-CB 4.41Å; F347-A380 HydrophobicContact CE1-CB 4.25Å; F377-A380 WeakPolarHBondContact CD1-O 3.49Å; F377-A380 WeakPolarHBondContact CE1-O 3.3Å; R378-A380 PolarHBondContact O-N 3.28Å; R378-A380 VanDerWaalsContact O-N 3.16Å
381N69.9Low84.7Confident66 Ų6650.8 Ų50.835%0.35328%0.278SS..EExtended strand (participates in β ladder)trans-87.7126.7178.7-74.2-27.1000111.9P170 F377 R378 E383P170-N381 HydrophobicContact CG-CB 4.37Å; P170-N381 WeakPolarHBondContact CG-ND2 3.35Å; P170-N381 VanDerWaalsContact CG-OD1 3.3Å; P170-N381 WeakPolarHBondContact CG-OD1 3.46Å; F377-N381 CarbonylContact C-O 3.6Å; F377-N381 VanDerWaalsContact CA-O 3.23Å; F377-N381 WeakPolarHBondContact CA-O 3.41Å; F377-N381 WeakPolarHBondContact CD1-O 3.27Å; R378-N381 PolarHBondContact N-O 2.89Å; R378-N381 PolarHBondContact O-N 2.88Å; N381-E383 PolarHBondContact O-N 2.74Å
382L78.7Confident84.7Confident56 Ų5654.5 Ų54.529%0.29329%0.292SS..EExtended strand (participates in β ladder)trans-72.2125.4172.5-178.962.8000109.5W375 F377W375-L382 HydrophobicContact CB-CD1 4.05Å; W375-L382 HydrophobicContact CG-CD1 4.31Å; F377-L382 HydrophobicContact CD1-CB 4.16Å; F377-L382 HydrophobicContact CD2-CD1 3.99Å; F377-L382 HydrophobicContact CE1-CB 3.64Å; F377-L382 HydrophobicContact CE1-CD1 4.22Å; F377-L382 HydrophobicContact CE2-CD1 3.56Å; F377-L382 HydrophobicContact CZ-CB 3.85Å; F377-L382 HydrophobicContact CZ-CD1 3.68Å; F377-L382 HydrophobicContact CZ-CG 4.28Å
383E81.7Confident84.6Confident45 Ų4551.3 Ų51.321%0.2127%0.274CS..PPolyproline II helixtrans-64.8148.8176.8-69.9-82.296.500110.6R365 L376 N381 G385 Y386R365-E383 IonicContact NH1-OE2 3.66Å; R365-E383 PolarHBondContact NH1-OE2 3.04Å; L376-E383 HydrophobicContact CB-CB 4.44Å; L376-E383 HydrophobicContact CB-CG 4.41Å; L376-E383 HydrophobicContact CD2-CG 4.19Å; L376-E383 HydrophobicContact CG-CG 4.14Å; L376-E383 WeakPolarHBondContact O-CB 3.4Å; L376-E383 PolarHBondContact O-N 2.86Å; N381-E383 PolarHBondContact O-N 2.74Å; E383-G385 PolarHBondContact O-N 2.93Å; E383-Y386 HydrophobicContact CB-CD2 3.59Å; E383-Y386 HydrophobicContact CB-CE2 3.67Å; E383-Y386 WeakPolarHBondContact O-CD2 3.45Å
384P77.1Confident84.5Confident112 Ų11247.9 Ų47.973%0.72726%0.264SS*.THydrogen-bonded Turntrans-60.3138.8177.7-2333.6000112.3
385G77.9Confident84.2Confident63 Ų6356.8 Ų56.865%0.64930%0.298SS*.THydrogen-bonded Turntrans94.6-7.2175.600000115.4E383 L388E383-G385 PolarHBondContact O-N 2.93Å; G385-L388 VanDerWaalsContact O-CD2 3.3Å; G385-L388 WeakPolarHBondContact O-CD2 3.3Å
386Y83.4Confident84.1Confident57 Ų5761.9 Ų61.922%0.22433%0.326CS..  trans-88.7154.8177.1-70.2-77.5000113.3F374 L376 E383 L388F374-Y386 HydrophobicContact CD2-CD1 4.26Å; F374-Y386 AromaticContact CD2-CE1 3.85Å; F374-Y386 HydrophobicContact CD2-CE1 3.85Å; F374-Y386 HydrophobicContact CE1-CE1 4.44Å; F374-Y386 AromaticContact CE2-CD1 3.97Å; F374-Y386 HydrophobicContact CE2-CD1 3.97Å; F374-Y386 AromaticContact CE2-CE1 3.15Å; F374-Y386 HydrophobicContact CE2-CE1 3.15Å; F374-Y386 AromaticContact CE2-CZ 3.94Å; F374-Y386 HydrophobicContact CZ-CD1 4.38Å; F374-Y386 AromaticContact CZ-CE1 3.52Å; F374-Y386 HydrophobicContact CZ-CE1 3.52Å; L376-Y386 HydrophobicContact CB-CD1 4.18Å; L376-Y386 HydrophobicContact CB-CD2 3.92Å; L376-Y386 HydrophobicContact CB-CE1 3.82Å; L376-Y386 HydrophobicContact CB-CE2 3.47Å; L376-Y386 VanDerWaalsContact CB-CE2 3.47Å; L376-Y386 HydrophobicContact CB-CG 4.24Å; L376-Y386 HydrophobicContact CD2-CE2 3.96Å; L376-Y386 WeakPolarHBondContact CD2-OH 3.34Å; L376-Y386 HydrophobicContact CG-CE2 4.33Å; E383-Y386 HydrophobicContact CB-CD2 3.59Å; E383-Y386 HydrophobicContact CB-CE2 3.67Å; E383-Y386 WeakPolarHBondContact O-CD2 3.45Å; Y386-L388 HydrophobicContact CD1-CB 4.24Å; Y386-L388 HydrophobicContact CD1-CD1 4.24Å; Y386-L388 HydrophobicContact CD1-CG 3.93Å; Y386-L388 HydrophobicContact CE1-CB 4.21Å; Y386-L388 HydrophobicContact CE1-CD1 3.68Å; Y386-L388 HydrophobicContact CE1-CG 3.88Å
387P87.4Confident84Confident40 Ų4062.3 Ų62.326%0.2633%0.328SS..SBendcis-75.9148.4-128.4-33000114.3R373 F374 W375R373-P387 HydrophobicContact CB-CB 4.43Å; F374-P387 VanDerWaalsContact O-CA 3.31Å; F374-P387 WeakPolarHBondContact O-CA 3.5Å; F374-P387 WeakPolarHBondContact O-CB 3.15Å; W375-P387 HydrophobicContact CD2-CB 3.8Å; W375-P387 VanDerWaalsContact CE2-CB 3.43Å; W375-P387 HydrophobicContact CE3-CB 4.38Å; W375-P387 HydrophobicContact CG-CB 4.17Å; W375-P387 HydrophobicContact CH2-CB 4.19Å; W375-P387 HydrophobicContact CZ2-CB 3.65Å; W375-P387 HydrophobicContact CZ2-CG 3.78Å
388L89.4Confident84.2Confident62 Ų6262.6 Ų62.633%0.32533%0.33SS..EExtended strand (participates in β ladder)trans-108.8162.2172.1-65.9179.4000110.6R373 F374 G385 Y386 D392R373-L388 WeakPolarHBondContact CA-O 3.43Å; F374-L388 HydrophobicContact CD1-CB 4.21Å; F374-L388 WeakPolarHBondContact CD1-O 3.02Å; F374-L388 HydrophobicContact CE1-CB 3.53Å; F374-L388 HydrophobicContact CZ-CB 3.91Å; F374-L388 HydrophobicContact CZ-CD1 4.23Å; F374-L388 PolarHBondContact N-O 3.03Å; F374-L388 PolarHBondContact O-N 3.39Å; G385-L388 VanDerWaalsContact O-CD2 3.3Å; G385-L388 WeakPolarHBondContact O-CD2 3.3Å; Y386-L388 HydrophobicContact CD1-CB 4.24Å; Y386-L388 HydrophobicContact CD1-CD1 4.24Å; Y386-L388 HydrophobicContact CD1-CG 3.93Å; Y386-L388 HydrophobicContact CE1-CB 4.21Å; Y386-L388 HydrophobicContact CE1-CD1 3.68Å; Y386-L388 HydrophobicContact CE1-CG 3.88Å; L388-D392 HydrophobicContact CB-CB 4.42Å
389D92.1Very high84.5Confident58 Ų5863.7 Ų63.731%0.3134%0.335SS..EExtended strand (participates in β ladder)trans-75.2147.2176.5-70.3-35.2000109.5F374 V391 D392F374-D389 WeakPolarHBondContact CE1-O 3.26Å; D389-V391 PolarHBondContact O-N 3.46Å; D389-V391 VanDerWaalsContact O-N 3.1Å; D389-D392 WeakPolarHBondContact O-CB 3.15Å; D389-D392 PolarHBondContact O-N 2.88Å
390L91.4Very high85.2Confident1 Ų165.6 Ų65.61%0.00535%0.347CS..Hα-helixtrans-60.8-26.1-174.9-172.558.5000112.7F369 N372 D392 Y393 I397 P398 I402F369-L390 HydrophobicContact CD1-CD1 3.83Å; F369-L390 HydrophobicContact CE1-CD1 3.64Å; N372-L390 WeakPolarHBondContact O-CB 3.36Å; N372-L390 PolarHBondContact O-N 3.22Å; L390-D392 PolarHBondContact O-N 2.81Å; L390-Y393 HydrophobicContact CD1-CG 4.49Å; L390-Y393 WeakPolarHBondContact O-CB 3.49Å; L390-Y393 PolarHBondContact O-N 3.44Å; L390-I397 HydrophobicContact CD1-CD1 3.97Å; L390-I397 HydrophobicContact CG-CD1 4.11Å; L390-P398 WeakPolarHBondContact CD2-O 3.05Å; L390-P398 WeakPolarHBondContact CG-O 3.1Å; L390-I402 HydrophobicContact CD1-CD1 3.8Å; L390-I402 HydrophobicContact CD2-CD1 4.1Å; L390-I402 HydrophobicContact CD2-CG1 4.02Å
391V89.3Confident86.3Confident101 Ų10171 Ų7161%0.61237%0.366SS*.Hα-helixtrans-64.1-28.3174.5-172.50000112.1D389 Y393D389-V391 PolarHBondContact O-N 3.46Å; D389-V391 VanDerWaalsContact O-N 3.1Å; V391-Y393 VanDerWaalsContact C-N 3.31Å
392D90.2Very high87.5Confident102 Ų10267.9 Ų67.955%0.54535%0.35SS..Hα-helixtrans-80.3-14.8175.8-58.6-39.7000112.1L388 D389 L390L388-D392 HydrophobicContact CB-CB 4.42Å; D389-D392 WeakPolarHBondContact O-CB 3.15Å; D389-D392 PolarHBondContact O-N 2.88Å; L390-D392 PolarHBondContact O-N 2.81Å
393Y90.2Very high88.3Confident11 Ų1165.4 Ų65.44%0.04334%0.337CS..Hα-helixtrans-67.5-43.7177.6-168-89.7000111.5Y359 V367 F369 F374 L390 V391 I397 F416 F425 E427Y359-Y393 PolarHBondContact OH-OH 2.96Å; V367-Y393 HydrophobicContact CG1-CE2 3.86Å; V367-Y393 HydrophobicContact CG2-CE2 4.27Å; F369-Y393 HydrophobicContact CE1-CD2 4.34Å; F369-Y393 HydrophobicContact CZ-CE2 4.48Å; F374-Y393 AromaticContact CD1-CD2 3.93Å; F374-Y393 HydrophobicContact CD1-CD2 3.93Å; F374-Y393 HydrophobicContact CD1-CG 4.46Å; F374-Y393 AromaticContact CD2-CD2 3.43Å; F374-Y393 HydrophobicContact CD2-CD2 3.43Å; F374-Y393 VanDerWaalsContact CD2-CD2 3.43Å; F374-Y393 AromaticContact CD2-CE2 3.84Å; F374-Y393 HydrophobicContact CD2-CE2 3.84Å; F374-Y393 AromaticContact CE1-CD2 3.83Å; F374-Y393 HydrophobicContact CE1-CD2 3.83Å; F374-Y393 HydrophobicContact CE1-CG 4.31Å; F374-Y393 AromaticContact CE2-CD2 3.29Å; F374-Y393 HydrophobicContact CE2-CD2 3.29Å; F374-Y393 AromaticContact CE2-CE2 3.74Å; F374-Y393 HydrophobicContact CE2-CE2 3.74Å; F374-Y393 HydrophobicContact CE2-CG 4.43Å; F374-Y393 AromaticContact CG-CD2 3.72Å; F374-Y393 HydrophobicContact CG-CD2 3.72Å; F374-Y393 HydrophobicContact CG-CE2 4.46Å; F374-Y393 AromaticContact CZ-CD2 3.5Å; F374-Y393 HydrophobicContact CZ-CD2 3.5Å; F374-Y393 VanDerWaalsContact CZ-CD2 3.5Å; F374-Y393 HydrophobicContact CZ-CE2 4.34Å; F374-Y393 HydrophobicContact CZ-CG 4.27Å; L390-Y393 HydrophobicContact CD1-CG 4.49Å; L390-Y393 WeakPolarHBondContact O-CB 3.49Å; L390-Y393 PolarHBondContact O-N 3.44Å; V391-Y393 VanDerWaalsContact C-N 3.31Å; Y393-I397 HydrophobicContact CD1-CD1 3.98Å; Y393-I397 HydrophobicContact CG-CD1 4.38Å; Y393-F416 HydrophobicContact CD1-CZ 4.28Å; Y393-F416 HydrophobicContact CE1-CE2 4.34Å; Y393-F416 AromaticContact CE1-CZ 3.77Å; Y393-F416 HydrophobicContact CE1-CZ 3.77Å; Y393-F425 HydrophobicContact CD1-CE1 4.13Å; Y393-F425 AromaticContact CD1-CZ 3.88Å; Y393-F425 HydrophobicContact CD1-CZ 3.88Å; Y393-F425 HydrophobicContact CE1-CD1 4.21Å; Y393-F425 AromaticContact CE1-CE1 3.53Å; Y393-F425 HydrophobicContact CE1-CE1 3.53Å; Y393-F425 AromaticContact CE1-CZ 3.77Å; Y393-F425 HydrophobicContact CE1-CZ 3.77Å; Y393-E427 PolarHBondContact OH-OE1 3.3Å; Y393-E427 PolarHBondContact OH-OE2 3.3Å
394G88.8Confident88.9Confident9 Ų963.3 Ų63.39%0.09333%0.327CS..  trans179.2167.5-178.400000113.2Q430G394-Q430 CarbonylContact C-O 3.58Å; G394-Q430 WeakPolarHBondContact CA-O 3.4Å
395R89.4Confident89.8Confident194 Ų19458 Ų5873%0.73229%0.293SS*.BIsolated β-bridgetrans-87.6150.4-179.2-61.1179.5-174.2165.83.9111.2I397 Q430 S431 A432R395-I397 PolarHBondContact O-N 3.47Å; R395-Q430 PolarHBondContact N-O 2.95Å; R395-S431 WeakPolarHBondContact O-CA 3.44Å; R395-A432 PolarHBondContact O-N 3.42Å
396D89.5Confident90.6Very high124 Ų12455.5 Ų55.566%0.66326%0.264SS*.SBendtrans6323172.4-55.6-53.5000115.4W423 A432D396-W423 PolarHBondContact O-NE1 3.48Å; D396-A432 HydrophobicContact CB-CB 3.91Å; D396-A432 VanDerWaalsContact O-CB 3.22Å; D396-A432 WeakPolarHBondContact O-CB 3.48Å
397I91.2Very high91Very high19 Ų1956.1 Ų56.110%0.09727%0.266CS..SBendtrans-100.6167.2170.965.4172.9000111.1L390 Y393 R395 Y399 F416 F425 A432L390-I397 HydrophobicContact CD1-CD1 3.97Å; L390-I397 HydrophobicContact CG-CD1 4.11Å; Y393-I397 HydrophobicContact CD1-CD1 3.98Å; Y393-I397 HydrophobicContact CG-CD1 4.38Å; R395-I397 PolarHBondContact O-N 3.47Å; I397-Y399 PolarHBondContact O-N 2.99Å; I397-F416 HydrophobicContact CB-CD2 4.47Å; I397-F416 HydrophobicContact CG2-CD2 3.96Å; I397-F416 HydrophobicContact CG2-CE2 4Å; I397-F425 HydrophobicContact CG2-CD2 3.51Å; I397-F425 HydrophobicContact CG2-CE2 3.89Å; I397-F425 HydrophobicContact CG2-CG 4.43Å; I397-A432 HydrophobicContact CG2-CB 4.16Å
398P87.8Confident91Very high6 Ų655.3 Ų55.34%0.03926%0.258CS..  trans-53.9135.1172.2-25.135000111.8L390 Q418 W423L390-P398 WeakPolarHBondContact CD2-O 3.05Å; L390-P398 WeakPolarHBondContact CG-O 3.1Å; P398-Q418 HydrophobicContact CG-CB 4.28Å; P398-W423 HydrophobicContact CG-CD2 3.8Å; P398-W423 HydrophobicContact CG-CE3 3.72Å; P398-W423 HydrophobicContact CG-CH2 3.69Å; P398-W423 HydrophobicContact CG-CZ2 3.69Å; P398-W423 HydrophobicContact CG-CZ3 3.71Å
399Y86.6Confident90.7Very high181 Ų18157.9 Ų57.971%0.7127%0.269SS*.SBendtrans-94-17.9-176.161.6-92.3000113.6I397I397-Y399 PolarHBondContact O-N 2.99Å
400D88.4Confident90.1Very high68 Ų6858.8 Ų58.836%0.36428%0.278SS..SBendtrans-99.2-47.8-171.363-41.5000112.9G371 N372 Q418G371-D400 CarbonylContact C-O 3.47Å; N372-D400 VanDerWaalsContact CA-O 3.26Å; N372-D400 WeakPolarHBondContact CA-O 3.17Å; N372-D400 PolarHBondContact N-O 3.39Å; D400-Q418 VanDerWaalsContact CG-NE2 3.27Å; D400-Q418 PolarHBondContact OD1-NE2 3.45Å; D400-Q418 PolarHBondContact OD2-NE2 3Å
401R92.8Very high89.7Confident116 Ų11660.4 Ų60.444%0.43829%0.289SS..  trans-165.2162.9174.771.9179.6-162.8-134.1-4.4113.5G371 D403 Q418G371-R401 WeakPolarHBondContact O-CA 3.3Å; R401-D403 IonicContact CZ-OD1 3.26Å; R401-D403 IonicContact NE-OD1 3.66Å; R401-D403 PolarHBondContact NE-OD1 3.06Å; R401-D403 IonicContact NH2-OD1 3.06Å; R401-D403 PolarHBondContact NH2-OD1 2.82Å; R401-Q418 PolarHBondContact O-NE2 3.37Å
402I95.1Very high89.5Confident1 Ų157.6 Ų57.61%0.00528%0.28CS..  trans-117.4125170.5-66.5172.4000108.3A357 F369 L390 T404 A405 F416A357-I402 HydrophobicContact CB-CG2 4.18Å; F369-I402 HydrophobicContact CB-CB 4.46Å; F369-I402 HydrophobicContact CD1-CD1 3.87Å; F369-I402 HydrophobicContact CD2-CB 4.43Å; F369-I402 HydrophobicContact CD2-CD1 4.42Å; F369-I402 HydrophobicContact CD2-CG2 4.37Å; F369-I402 HydrophobicContact CE1-CD1 3.64Å; F369-I402 HydrophobicContact CE2-CD1 4.18Å; F369-I402 HydrophobicContact CG-CB 4.27Å; F369-I402 HydrophobicContact CG-CD1 4.25Å; F369-I402 HydrophobicContact CZ-CD1 3.79Å; L390-I402 HydrophobicContact CD1-CD1 3.8Å; L390-I402 HydrophobicContact CD2-CD1 4.1Å; L390-I402 HydrophobicContact CD2-CG1 4.02Å; I402-T404 WeakPolarHBondContact CG2-O 3.13Å; I402-A405 HydrophobicContact CG2-CB 4.23Å; I402-F416 HydrophobicContact CD1-CB 4.44Å; I402-F416 HydrophobicContact CD1-CD1 3.74Å; I402-F416 HydrophobicContact CD1-CD2 4.39Å; I402-F416 HydrophobicContact CD1-CE1 4.02Å; I402-F416 HydrophobicContact CD1-CG 3.95Å; I402-F416 HydrophobicContact CD1-CZ 4.46Å; I402-F416 HydrophobicContact CG2-CB 4.31Å; I402-F416 HydrophobicContact CG2-CD1 4.03Å
403D94.1Very high89.7Confident3 Ų356.4 Ų56.42%0.01627%0.268CS..SBendtrans-83.3-31.8-178.7-65.7-25.8000111.7R401 F417 G419 S450R401-D403 IonicContact CZ-OD1 3.26Å; R401-D403 IonicContact NE-OD1 3.66Å; R401-D403 PolarHBondContact NE-OD1 3.06Å; R401-D403 IonicContact NH2-OD1 3.06Å; R401-D403 PolarHBondContact NH2-OD1 2.82Å; D403-F417 WeakPolarHBondContact CB-O 3.41Å; D403-F417 PolarHBondContact N-O 2.99Å; D403-G419 PolarHBondContact OD2-N 2.69Å; D403-S450 PolarHBondContact OD2-OG 2.99Å
404T95.6Very high89.9Confident1 Ų155.9 Ų55.91%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-156.3144.2176.4-73.50000109.5I402 F417 P451 G453 A454I402-T404 WeakPolarHBondContact CG2-O 3.13Å; T404-F417 HydrophobicContact CG2-CD2 4.14Å; T404-F417 PolarHBondContact N-O 2.84Å; T404-F417 PolarHBondContact O-N 3.3Å; T404-P451 HydrophobicContact CG2-CG 4.34Å; T404-P451 PolarHBondContact OG1-O 3.14Å; T404-G453 PolarHBondContact OG1-N 3.02Å; T404-A454 HydrophobicContact CG2-CB 3.48Å; T404-A454 VanDerWaalsContact CG2-CB 3.48Å
405A95.5Very high90.1Very high2 Ų256 Ų562%0.01726%0.264CS..EExtended strand (participates in β ladder)trans-133.3145.9176.300000109.6A357 Y359 F369 I402 Y415 F416A357-A405 HydrophobicContact CB-CB 4.5Å; Y359-A405 HydrophobicContact CD1-CB 3.45Å; Y359-A405 VanDerWaalsContact CD1-CB 3.45Å; Y359-A405 HydrophobicContact CE1-CB 4.01Å; Y359-A405 HydrophobicContact CG-CB 3.95Å; F369-A405 HydrophobicContact CD2-CB 4.32Å; F369-A405 HydrophobicContact CE2-CB 3.84Å; I402-A405 HydrophobicContact CG2-CB 4.23Å; A405-Y415 WeakPolarHBondContact CA-O 3.3Å; A405-F416 HydrophobicContact CB-CD1 3.69Å; A405-F416 HydrophobicContact CB-CE1 3.88Å
406I94.3Very high90.4Very high9 Ų946.7 Ų46.75%0.04623%0.229CC..EExtended strand (participates in β ladder)trans-150.4135.9173.2-169.5176.9000109.7T414 Y415 F417 A454 L456 T463I406-T414 CarbonylContact O-C 3.53Å; I406-T414 WeakPolarHBondContact O-CA 3.37Å; I406-Y415 PolarHBondContact N-O 2.87Å; I406-Y415 PolarHBondContact O-N 3.48Å; I406-F417 HydrophobicContact CG2-CE2 4.03Å; I406-A454 HydrophobicContact CB-CB 4.13Å; I406-A454 HydrophobicContact CD1-CB 4.1Å; I406-A454 HydrophobicContact CG2-CB 4.28Å; I406-L456 HydrophobicContact CD1-CG 4.07Å; I406-T463 HydrophobicContact CD1-CG2 4.08Å
407W91.9Very high90.6Very high71 Ų7140.9 Ų40.927%0.26920%0.198SC..EExtended strand (participates in β ladder)trans-83.2117.6164.4179.361.1000108.8Y359 E360 H362 E409 G412Y359-W407 HydrophobicContact CD2-CB 3.98Å; Y359-W407 HydrophobicContact CE2-CB 4.24Å; E360-W407 VanDerWaalsContact O-CB 3.27Å; E360-W407 WeakPolarHBondContact O-CB 3.35Å; H362-W407 HydrophobicContact CB-CD2 4.25Å; H362-W407 HydrophobicContact CB-CH2 4.11Å; H362-W407 HydrophobicContact CB-CZ2 3.53Å; W407-E409 HydrophobicContact CH2-CB 4.45Å; W407-E409 HydrophobicContact CH2-CG 4.29Å; W407-E409 HydrophobicContact CZ3-CB 4.33Å; W407-E409 HydrophobicContact CZ3-CG 4.46Å; W407-E409 PolarHBondContact O-N 2.68Å; W407-G412 PolarHBondContact NE1-O 3.25Å
408W87.8Confident90.8Very high22 Ų2241.5 Ų41.58%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-99.189.4-171.1-160.954000110.5P410 S411 G412 Y413 Y415 W443 T463 N476 M479W408-P410 VanDerWaalsContact C-N 3.33Å; W408-P410 HydrophobicContact CZ2-CG 4.49Å; W408-P410 VanDerWaalsContact O-N 3.17Å; W408-S411 VanDerWaalsContact CE3-CB 3.46Å; W408-S411 VanDerWaalsContact CE3-OG 3.3Å; W408-S411 PolarHBondContact O-N 3.32Å; W408-S411 PolarHBondContact O-OG 2.88Å; W408-G412 PolarHBondContact O-N 3.36Å; W408-Y413 PolarHBondContact N-O 2.95Å; W408-Y415 HydrophobicContact CB-CD2 3.51Å; W408-Y415 HydrophobicContact CB-CE2 3.59Å; W408-Y415 HydrophobicContact CD2-CE2 4.18Å; W408-Y415 AromaticContact CE3-CE2 3.64Å; W408-Y415 HydrophobicContact CE3-CE2 3.64Å; W408-Y415 AromaticContact CE3-CZ 3.69Å; W408-Y415 HydrophobicContact CG-CD2 4.32Å; W408-Y415 HydrophobicContact CG-CE2 4.19Å; W408-W443 AromaticContact CD2-CH2 3.93Å; W408-W443 HydrophobicContact CD2-CH2 3.93Å; W408-W443 AromaticContact CE2-CH2 3.87Å; W408-W443 HydrophobicContact CE3-CH2 4.18Å; W408-W443 HydrophobicContact CG-CH2 4.39Å; W408-W443 HydrophobicContact CH2-CH2 4.41Å; W408-W443 HydrophobicContact CZ2-CH2 4.12Å; W408-W443 HydrophobicContact CZ2-CZ3 4.05Å; W408-W443 HydrophobicContact CZ3-CH2 4.43Å; W408-T463 PolarHBondContact NE1-OG1 2.77Å; W408-N476 HydrophobicContact CZ2-CB 4.06Å; W408-M479 HydrophobicContact CH2-SD 4.05Å
409E82.5Confident91Very high117 Ų11742.5 Ų42.555%0.54721%0.212SC..THydrogen-bonded Turntrans-44.8-44.3-176-173.6-177.6-165.500114.3W407 S411 G412 L456W407-E409 HydrophobicContact CH2-CB 4.45Å; W407-E409 HydrophobicContact CH2-CG 4.29Å; W407-E409 HydrophobicContact CZ3-CB 4.33Å; W407-E409 HydrophobicContact CZ3-CG 4.46Å; W407-E409 PolarHBondContact O-N 2.68Å; E409-S411 PolarHBondContact O-N 3.35Å; E409-G412 PolarHBondContact O-N 3.3Å; E409-L456 HydrophobicContact CB-CD1 3.89Å
410P78.8Confident91.2Very high77 Ų7737.9 Ų37.950%0.520%0.199SC..THydrogen-bonded Turntrans-58.6-26.4-179.3-26.336000114.6W408W408-P410 VanDerWaalsContact C-N 3.33Å; W408-P410 HydrophobicContact CZ2-CG 4.49Å; W408-P410 VanDerWaalsContact O-N 3.17Å
411S83.1Confident91.4Very high35 Ų3540.3 Ų40.325%0.24520%0.204CC..THydrogen-bonded Turntrans-106.6-20.318074.30000113.8W408 E409 Y413 Y415W408-S411 VanDerWaalsContact CE3-CB 3.46Å; W408-S411 VanDerWaalsContact CE3-OG 3.3Å; W408-S411 PolarHBondContact O-N 3.32Å; W408-S411 PolarHBondContact O-OG 2.88Å; E409-S411 PolarHBondContact O-N 3.35Å; S411-Y413 VanDerWaalsContact C-N 3.27Å; S411-Y413 WeakPolarHBondContact O-CD2 3.49Å; S411-Y413 VanDerWaalsContact O-CE2 3.27Å; S411-Y413 WeakPolarHBondContact O-CE2 3.25Å; S411-Y413 PolarHBondContact O-N 2.9Å; S411-Y413 PolarHBondContact OG-N 2.92Å; S411-Y415 WeakPolarHBondContact OG-CE2 3.47Å
412G86.4Confident91.5Very high41 Ų4135.2 Ų35.242%0.42319%0.185SC..THydrogen-bonded Turntrans761.9-172.200000115.6W407 W408 E409W407-G412 PolarHBondContact NE1-O 3.25Å; W408-G412 PolarHBondContact O-N 3.36Å; E409-G412 PolarHBondContact O-N 3.3Å
413Y92.9Very high91.5Very high77 Ų7736 Ų3630%0.30219%0.187SC..EExtended strand (participates in β ladder)trans-102.6156.6-179.2-61.8-83000112.8W408 S411 Y415 R424 D426W408-Y413 PolarHBondContact N-O 2.95Å; S411-Y413 VanDerWaalsContact C-N 3.27Å; S411-Y413 WeakPolarHBondContact O-CD2 3.49Å; S411-Y413 VanDerWaalsContact O-CE2 3.27Å; S411-Y413 WeakPolarHBondContact O-CE2 3.25Å; S411-Y413 PolarHBondContact O-N 2.9Å; S411-Y413 PolarHBondContact OG-N 2.92Å; Y413-Y415 WeakPolarHBondContact O-CD2 3.35Å; Y413-R424 HydrophobicContact CD1-CG 4.28Å; Y413-R424 HydrophobicContact CD2-CG 4.4Å; Y413-R424 HydrophobicContact CG-CG 3.84Å; Y413-D426 HydrophobicContact CD1-CB 3.97Å; Y413-D426 HydrophobicContact CE1-CB 3.92Å
414T94.7Very high91.5Very high0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-89.6138171-61.50000109.8Y359 I406 F416 F425 E427Y359-T414 HydrophobicContact CD2-CG2 4.24Å; Y359-T414 HydrophobicContact CE1-CG2 4.34Å; Y359-T414 HydrophobicContact CE2-CG2 3.51Å; I406-T414 CarbonylContact O-C 3.53Å; I406-T414 WeakPolarHBondContact O-CA 3.37Å; T414-F416 HydrophobicContact CG2-CD1 4.13Å; T414-F416 HydrophobicContact CG2-CE1 3.51Å; T414-F416 HydrophobicContact CG2-CE2 4.29Å; T414-F416 HydrophobicContact CG2-CZ 3.6Å; T414-F425 PolarHBondContact N-O 2.92Å; T414-F425 WeakPolarHBondContact O-CB 3.3Å; T414-F425 PolarHBondContact O-N 2.97Å; T414-E427 WeakPolarHBondContact CB-OE1 3.34Å; T414-E427 WeakPolarHBondContact OG1-CG 3.3Å; T414-E427 PolarHBondContact OG1-OE1 2.8Å
415Y93.9Very high91.5Very high11 Ų1139.3 Ų39.34%0.04320%0.199CC..EExtended strand (participates in β ladder)trans-115.8122.9178.7-70.9-105.4000110.1A405 I406 W408 S411 Y413 Y422 W423 R424 W443A405-Y415 WeakPolarHBondContact CA-O 3.3Å; I406-Y415 PolarHBondContact N-O 2.87Å; I406-Y415 PolarHBondContact O-N 3.48Å; W408-Y415 HydrophobicContact CB-CD2 3.51Å; W408-Y415 HydrophobicContact CB-CE2 3.59Å; W408-Y415 HydrophobicContact CD2-CE2 4.18Å; W408-Y415 AromaticContact CE3-CE2 3.64Å; W408-Y415 HydrophobicContact CE3-CE2 3.64Å; W408-Y415 AromaticContact CE3-CZ 3.69Å; W408-Y415 HydrophobicContact CG-CD2 4.32Å; W408-Y415 HydrophobicContact CG-CE2 4.19Å; S411-Y415 WeakPolarHBondContact OG-CE2 3.47Å; Y413-Y415 WeakPolarHBondContact O-CD2 3.35Å; Y415-Y422 AromaticContact CD1-CD2 3.75Å; Y415-Y422 HydrophobicContact CD1-CD2 3.75Å; Y415-Y422 AromaticContact CD1-CE2 3.78Å; Y415-Y422 HydrophobicContact CD1-CE2 3.78Å; Y415-Y422 HydrophobicContact CE1-CD2 4.28Å; Y415-Y422 AromaticContact CE1-CE2 3.83Å; Y415-Y422 HydrophobicContact CE1-CE2 3.83Å; Y415-W423 VanDerWaalsContact CA-O 3.3Å; Y415-W423 WeakPolarHBondContact CA-O 3.5Å; Y415-R424 HydrophobicContact CD1-CB 4.35Å; Y415-R424 HydrophobicContact CD1-CG 4.5Å; Y415-R424 HydrophobicContact CE1-CB 4.05Å; Y415-R424 HydrophobicContact CE1-CG 3.96Å; Y415-R424 HydrophobicContact CE2-CG 4.12Å; Y415-R424 VanDerWaalsContact OH-CD 3.31Å; Y415-R424 WeakPolarHBondContact OH-CD 3.48Å; Y415-W443 HydrophobicContact CD1-CH2 4.37Å; Y415-W443 AromaticContact CD1-CZ2 3.53Å; Y415-W443 HydrophobicContact CD1-CZ2 3.53Å; Y415-W443 HydrophobicContact CE1-CH2 4.35Å; Y415-W443 AromaticContact CE1-CZ2 3.62Å; Y415-W443 HydrophobicContact CE1-CZ2 3.62Å; Y415-W443 HydrophobicContact CG-CZ2 4.12Å
416F95.6Very high91.3Very high0 Ų040.9 Ų40.90%021%0.208CC..EExtended strand (participates in β ladder)trans-104.4135.5174.6-58.3-53000109.9Y359 F369 Y393 I397 I402 A405 T414 Y422 W423 F425Y359-F416 HydrophobicContact CE1-CE1 4.02Å; F369-F416 HydrophobicContact CE2-CE1 4.02Å; F369-F416 AromaticContact CZ-CE1 3.8Å; F369-F416 HydrophobicContact CZ-CE1 3.8Å; F369-F416 HydrophobicContact CZ-CZ 4.28Å; Y393-F416 HydrophobicContact CD1-CZ 4.28Å; Y393-F416 HydrophobicContact CE1-CE2 4.34Å; Y393-F416 AromaticContact CE1-CZ 3.77Å; Y393-F416 HydrophobicContact CE1-CZ 3.77Å; I397-F416 HydrophobicContact CB-CD2 4.47Å; I397-F416 HydrophobicContact CG2-CD2 3.96Å; I397-F416 HydrophobicContact CG2-CE2 4Å; I402-F416 HydrophobicContact CD1-CB 4.44Å; I402-F416 HydrophobicContact CD1-CD1 3.74Å; I402-F416 HydrophobicContact CD1-CD2 4.39Å; I402-F416 HydrophobicContact CD1-CE1 4.02Å; I402-F416 HydrophobicContact CD1-CG 3.95Å; I402-F416 HydrophobicContact CD1-CZ 4.46Å; I402-F416 HydrophobicContact CG2-CB 4.31Å; I402-F416 HydrophobicContact CG2-CD1 4.03Å; A405-F416 HydrophobicContact CB-CD1 3.69Å; A405-F416 HydrophobicContact CB-CE1 3.88Å; T414-F416 HydrophobicContact CG2-CD1 4.13Å; T414-F416 HydrophobicContact CG2-CE1 3.51Å; T414-F416 HydrophobicContact CG2-CE2 4.29Å; T414-F416 HydrophobicContact CG2-CZ 3.6Å; F416-Y422 CarbonylContact O-C 3.48Å; F416-Y422 WeakPolarHBondContact O-CA 3.27Å; F416-Y422 WeakPolarHBondContact O-CB 3.11Å; F416-W423 HydrophobicContact CB-CB 4.4Å; F416-W423 PolarHBondContact N-O 2.8Å; F416-W423 PolarHBondContact O-N 2.97Å; F416-F425 HydrophobicContact CD2-CB 3.91Å; F416-F425 HydrophobicContact CD2-CG 4.34Å; F416-F425 HydrophobicContact CE2-CB 3.5Å; F416-F425 AromaticContact CE2-CD1 3.89Å; F416-F425 HydrophobicContact CE2-CD1 3.89Å; F416-F425 AromaticContact CE2-CD2 3.96Å; F416-F425 HydrophobicContact CE2-CD2 3.96Å; F416-F425 AromaticContact CE2-CG 3.52Å; F416-F425 HydrophobicContact CE2-CG 3.52Å; F416-F425 HydrophobicContact CZ-CB 4.35Å; F416-F425 HydrophobicContact CZ-CD1 4.17Å; F416-F425 HydrophobicContact CZ-CG 4.26Å
417F94.6Very high91.1Very high1 Ų141 Ų410%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-117.4136.1178.7-61.2-94.1000109.7D403 T404 I406 Y422 I440 W443 P451 F465D403-F417 WeakPolarHBondContact CB-O 3.41Å; D403-F417 PolarHBondContact N-O 2.99Å; T404-F417 HydrophobicContact CG2-CD2 4.14Å; T404-F417 PolarHBondContact N-O 2.84Å; T404-F417 PolarHBondContact O-N 3.3Å; I406-F417 HydrophobicContact CG2-CE2 4.03Å; F417-Y422 HydrophobicContact CD1-CG 4.47Å; F417-Y422 HydrophobicContact CE1-CG 4.18Å; F417-I440 HydrophobicContact CD1-CD1 3.8Å; F417-I440 HydrophobicContact CD1-CG1 4.21Å; F417-I440 HydrophobicContact CE1-CD1 4.21Å; F417-I440 HydrophobicContact CE1-CG1 4.26Å; F417-W443 AromaticContact CE1-NE1 3.83Å; F417-W443 HydrophobicContact CZ-CZ2 4.13Å; F417-P451 HydrophobicContact CB-CG 4.14Å; F417-P451 HydrophobicContact CD1-CG 4.47Å; F417-P451 HydrophobicContact CG-CG 4.24Å; F417-F465 HydrophobicContact CE1-CE1 4.12Å; F417-F465 HydrophobicContact CE2-CE1 4.21Å; F417-F465 AromaticContact CZ-CE1 3.78Å; F417-F465 HydrophobicContact CZ-CE1 3.78Å; F417-F465 HydrophobicContact CZ-CZ 4.2Å
418Q94.3Very high90.9Very high32 Ų3243.6 Ų43.615%0.1523%0.232CC..EExtended strand (participates in β ladder)trans-150.2119.3175.5-171.1-166.253.100109.5P398 D400 R401 D420 R421 W423P398-Q418 HydrophobicContact CG-CB 4.28Å; D400-Q418 VanDerWaalsContact CG-NE2 3.27Å; D400-Q418 PolarHBondContact OD1-NE2 3.45Å; D400-Q418 PolarHBondContact OD2-NE2 3Å; R401-Q418 PolarHBondContact O-NE2 3.37Å; Q418-D420 PolarHBondContact O-N 2.7Å; Q418-R421 PolarHBondContact N-O 2.85Å; Q418-R421 PolarHBondContact O-N 3Å; Q418-R421 VanDerWaalsContact O-O 3.1Å; Q418-W423 HydrophobicContact CB-CH2 4.04Å; Q418-W423 HydrophobicContact CB-CZ3 3.64Å
419G91.3Very high91Very high28 Ų2845.5 Ų45.529%0.28925%0.249SC..THydrogen-bonded Turntrans59.1-127.8-177.300000112.2D403 R421 S450D403-G419 PolarHBondContact OD2-N 2.69Å; G419-R421 VanDerWaalsContact C-N 3.32Å; G419-S450 WeakPolarHBondContact O-CA 3.4Å; G419-S450 PolarHBondContact O-N 2.89Å
420D91.5Very high91.4Very high83 Ų8345 Ų4544%0.44425%0.246SC..THydrogen-bonded Turntrans-90.16.9177.463.1-19.2000113.5Q418 I440Q418-D420 PolarHBondContact O-N 2.7Å; D420-I440 PolarHBondContact O-N 3.22Å
421R93.6Very high92.1Very high120 Ų12042.8 Ų42.845%0.45323%0.233SC..EExtended strand (participates in β ladder)trans-121.4154.9-173.6-75.9-173.9-80.1-94.66.8112.5Q418 G419 W423 P437 K438Q418-R421 PolarHBondContact N-O 2.85Å; Q418-R421 PolarHBondContact O-N 3Å; Q418-R421 VanDerWaalsContact O-O 3.1Å; G419-R421 VanDerWaalsContact C-N 3.32Å; R421-W423 HydrophobicContact CB-CH2 3.71Å; R421-W423 HydrophobicContact CB-CZ3 3.75Å; R421-P437 HydrophobicContact CB-CB 3.98Å; R421-P437 HydrophobicContact CG-CB 4.24Å; R421-K438 CarbonylContact C-O 3.54Å; R421-K438 VanDerWaalsContact CA-O 3.3Å; R421-K438 WeakPolarHBondContact CA-O 3.44Å
422Y94.1Very high92.5Very high9 Ų941.5 Ų41.54%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-137.6155.6172.182.2-82.4000112.1Y415 F416 F417 Y436 P437 K438 S439 V442 W443Y415-Y422 AromaticContact CD1-CD2 3.75Å; Y415-Y422 HydrophobicContact CD1-CD2 3.75Å; Y415-Y422 AromaticContact CD1-CE2 3.78Å; Y415-Y422 HydrophobicContact CD1-CE2 3.78Å; Y415-Y422 HydrophobicContact CE1-CD2 4.28Å; Y415-Y422 AromaticContact CE1-CE2 3.83Å; Y415-Y422 HydrophobicContact CE1-CE2 3.83Å; F416-Y422 CarbonylContact O-C 3.48Å; F416-Y422 WeakPolarHBondContact O-CA 3.27Å; F416-Y422 WeakPolarHBondContact O-CB 3.11Å; F417-Y422 HydrophobicContact CD1-CG 4.47Å; F417-Y422 HydrophobicContact CE1-CG 4.18Å; Y422-Y436 HydrophobicContact CD2-CD1 4.43Å; Y422-Y436 AromaticContact CD2-CE1 3.96Å; Y422-Y436 HydrophobicContact CD2-CE1 3.96Å; Y422-Y436 HydrophobicContact CE2-CD1 4.21Å; Y422-Y436 AromaticContact CE2-CE1 3.34Å; Y422-Y436 HydrophobicContact CE2-CE1 3.34Å; Y422-Y436 AromaticContact CZ-CE1 3.66Å; Y422-Y436 WeakPolarHBondContact O-CD1 3.31Å; Y422-P437 VanDerWaalsContact O-CA 3.28Å; Y422-P437 WeakPolarHBondContact O-CA 3.31Å; Y422-K438 HydrophobicContact CD1-CB 4.14Å; Y422-K438 VanDerWaalsContact CD1-O 3.31Å; Y422-K438 WeakPolarHBondContact CD1-O 3.5Å; Y422-K438 HydrophobicContact CE1-CB 3.54Å; Y422-K438 PolarHBondContact N-O 2.85Å; Y422-K438 PolarHBondContact O-N 2.71Å; Y422-S439 WeakPolarHBondContact CD1-O 3.34Å; Y422-S439 WeakPolarHBondContact CE1-O 3.34Å; Y422-V442 HydrophobicContact CE1-CB 4.04Å; Y422-V442 HydrophobicContact CE1-CG2 4.3Å; Y422-W443 AromaticContact CD1-CD1 3.91Å; Y422-W443 AromaticContact CD1-NE1 3.76Å; Y422-W443 AromaticContact CD2-NE1 3.57Å; Y422-W443 AromaticContact CE1-CD1 3.8Å; Y422-W443 AromaticContact CE1-NE1 3.63Å; Y422-W443 AromaticContact CE2-NE1 3.41Å; Y422-W443 AromaticContact CG-NE1 3.72Å; Y422-W443 AromaticContact CZ-NE1 3.46Å
423W94.9Very high92.8Very high17 Ų1741.4 Ų41.46%0.06421%0.214CC..EExtended strand (participates in β ladder)trans-122.6140.8179.4-67.3-109.7000109D396 P398 Y415 F416 Q418 R421 P437D396-W423 PolarHBondContact O-NE1 3.48Å; P398-W423 HydrophobicContact CG-CD2 3.8Å; P398-W423 HydrophobicContact CG-CE3 3.72Å; P398-W423 HydrophobicContact CG-CH2 3.69Å; P398-W423 HydrophobicContact CG-CZ2 3.69Å; P398-W423 HydrophobicContact CG-CZ3 3.71Å; Y415-W423 VanDerWaalsContact CA-O 3.3Å; Y415-W423 WeakPolarHBondContact CA-O 3.5Å; F416-W423 HydrophobicContact CB-CB 4.4Å; F416-W423 PolarHBondContact N-O 2.8Å; F416-W423 PolarHBondContact O-N 2.97Å; Q418-W423 HydrophobicContact CB-CH2 4.04Å; Q418-W423 HydrophobicContact CB-CZ3 3.64Å; R421-W423 HydrophobicContact CB-CH2 3.71Å; R421-W423 HydrophobicContact CB-CZ3 3.75Å; W423-P437 HydrophobicContact CD2-CB 3.88Å; W423-P437 VanDerWaalsContact CE2-CB 3.45Å; W423-P437 HydrophobicContact CE3-CB 4.36Å; W423-P437 HydrophobicContact CG-CB 4.41Å; W423-P437 HydrophobicContact CH2-CB 4Å; W423-P437 HydrophobicContact CH2-CG 4.43Å; W423-P437 HydrophobicContact CZ2-CB 3.53Å; W423-P437 HydrophobicContact CZ2-CG 3.67Å; W423-P437 HydrophobicContact CZ3-CB 4.38Å
424R94.4Very high92.7Very high73 Ų7349.7 Ų49.728%0.27525%0.245SC..EExtended strand (participates in β ladder)trans-101122.5166.3-172173.572.5-178.35.3108.3Y413 Y415 A432 D433 Y436Y413-R424 HydrophobicContact CD1-CG 4.28Å; Y413-R424 HydrophobicContact CD2-CG 4.4Å; Y413-R424 HydrophobicContact CG-CG 3.84Å; Y415-R424 HydrophobicContact CD1-CB 4.35Å; Y415-R424 HydrophobicContact CD1-CG 4.5Å; Y415-R424 HydrophobicContact CE1-CB 4.05Å; Y415-R424 HydrophobicContact CE1-CG 3.96Å; Y415-R424 HydrophobicContact CE2-CG 4.12Å; Y415-R424 VanDerWaalsContact OH-CD 3.31Å; Y415-R424 WeakPolarHBondContact OH-CD 3.48Å; R424-A432 WeakPolarHBondContact O-CA 3.3Å; R424-D433 IonicContact CZ-OD2 3.39Å; R424-D433 IonicContact NE-OD2 2.81Å; R424-D433 PolarHBondContact NE-OD2 3.08Å; R424-D433 IonicContact NH2-OD2 3.52Å; R424-D433 PolarHBondContact NH2-OD2 3.3Å; R424-D433 PolarHBondContact O-N 3.18Å; R424-Y436 HydrophobicContact CB-CD1 4.28Å; R424-Y436 HydrophobicContact CB-CD2 3.98Å; R424-Y436 HydrophobicContact CB-CE1 3.87Å; R424-Y436 HydrophobicContact CB-CE2 3.53Å; R424-Y436 HydrophobicContact CB-CG 4.33Å; R424-Y436 VanDerWaalsContact CB-CZ 3.46Å
425F94.6Very high92.4Very high0 Ų052.4 Ų52.40%027%0.273CS..EExtended strand (participates in β ladder)trans-115128.3-173.4-176.7-102.8000110.4Y393 I397 T414 F416 E427 Q430Y393-F425 HydrophobicContact CD1-CE1 4.13Å; Y393-F425 AromaticContact CD1-CZ 3.88Å; Y393-F425 HydrophobicContact CD1-CZ 3.88Å; Y393-F425 HydrophobicContact CE1-CD1 4.21Å; Y393-F425 AromaticContact CE1-CE1 3.53Å; Y393-F425 HydrophobicContact CE1-CE1 3.53Å; Y393-F425 AromaticContact CE1-CZ 3.77Å; Y393-F425 HydrophobicContact CE1-CZ 3.77Å; I397-F425 HydrophobicContact CG2-CD2 3.51Å; I397-F425 HydrophobicContact CG2-CE2 3.89Å; I397-F425 HydrophobicContact CG2-CG 4.43Å; T414-F425 PolarHBondContact N-O 2.92Å; T414-F425 WeakPolarHBondContact O-CB 3.3Å; T414-F425 PolarHBondContact O-N 2.97Å; F416-F425 HydrophobicContact CD2-CB 3.91Å; F416-F425 HydrophobicContact CD2-CG 4.34Å; F416-F425 HydrophobicContact CE2-CB 3.5Å; F416-F425 AromaticContact CE2-CD1 3.89Å; F416-F425 HydrophobicContact CE2-CD1 3.89Å; F416-F425 AromaticContact CE2-CD2 3.96Å; F416-F425 HydrophobicContact CE2-CD2 3.96Å; F416-F425 AromaticContact CE2-CG 3.52Å; F416-F425 HydrophobicContact CE2-CG 3.52Å; F416-F425 HydrophobicContact CZ-CB 4.35Å; F416-F425 HydrophobicContact CZ-CD1 4.17Å; F416-F425 HydrophobicContact CZ-CG 4.26Å; F425-E427 HydrophobicContact CD1-CG 4.31Å; F425-E427 HydrophobicContact CE1-CG 4.45Å; F425-Q430 HydrophobicContact CZ-CB 4.22Å
426D92.3Very high92.2Very high36 Ų3653.6 Ų53.619%0.19328%0.278CS..EExtended strand (participates in β ladder)trans-93.2112.6172.2173.117.4000109.6Y413 T428 S429 Q430 S431Y413-D426 HydrophobicContact CD1-CB 3.97Å; Y413-D426 HydrophobicContact CE1-CB 3.92Å; D426-T428 PolarHBondContact O-N 2.87Å; D426-T428 VanDerWaalsContact OD1-CB 3.31Å; D426-T428 WeakPolarHBondContact OD1-CB 3.22Å; D426-T428 PolarHBondContact OD1-N 3.19Å; D426-T428 PolarHBondContact OD1-OG1 3.2Å; D426-S429 WeakPolarHBondContact CB-OG 3.34Å; D426-S429 VanDerWaalsContact CG-OG 3.26Å; D426-S429 PolarHBondContact O-N 2.99Å; D426-S429 VanDerWaalsContact OD2-CB 3.3Å; D426-S429 WeakPolarHBondContact OD2-CB 3.34Å; D426-S429 PolarHBondContact OD2-N 3.2Å; D426-S429 PolarHBondContact OD2-OG 3.19Å; D426-Q430 WeakPolarHBondContact O-CA 3.33Å; D426-Q430 PolarHBondContact O-N 2.89Å; D426-S431 PolarHBondContact N-O 2.87Å; D426-S431 PolarHBondContact O-N 3.04Å
427E89.6Confident92.1Very high12 Ų1256.4 Ų56.46%0.05630%0.296CS..THydrogen-bonded Turntrans-63.1-23.8178.9-67.1-74.9176.600112.8Y359 R361 Y393 T414 F425Y359-E427 PolarHBondContact OH-OE1 3.47Å; R361-E427 IonicContact CZ-OE2 3.9Å; R361-E427 IonicContact NE-OE1 2.9Å; R361-E427 IonicContact NE-OE2 3.93Å; R361-E427 PolarHBondContact NE-OE2 3.45Å; R361-E427 IonicContact NH2-OE2 2.99Å; R361-E427 PolarHBondContact NH2-OE2 2.92Å; Y393-E427 PolarHBondContact OH-OE1 3.3Å; Y393-E427 PolarHBondContact OH-OE2 3.3Å; T414-E427 WeakPolarHBondContact CB-OE1 3.34Å; T414-E427 WeakPolarHBondContact OG1-CG 3.3Å; T414-E427 PolarHBondContact OG1-OE1 2.8Å; F425-E427 HydrophobicContact CD1-CG 4.31Å; F425-E427 HydrophobicContact CE1-CG 4.45Å
428T88.6Confident92Very high125 Ų12560.6 Ų60.677%0.76731%0.314SS*.THydrogen-bonded Turntrans-79.5-46.8-178.5-46.70000111.3D426 Q430D426-T428 PolarHBondContact O-N 2.87Å; D426-T428 VanDerWaalsContact OD1-CB 3.31Å; D426-T428 WeakPolarHBondContact OD1-CB 3.22Å; D426-T428 PolarHBondContact OD1-N 3.19Å; D426-T428 PolarHBondContact OD1-OG1 3.2Å; T428-Q430 VanDerWaalsContact C-N 3.33Å
429S89.6Confident91.9Very high62 Ų6261.3 Ų61.343%0.43432%0.323SS..THydrogen-bonded Turntrans-84.2-9176.962.10000113.5D426 S431D426-S429 WeakPolarHBondContact CB-OG 3.34Å; D426-S429 VanDerWaalsContact CG-OG 3.26Å; D426-S429 PolarHBondContact O-N 2.99Å; D426-S429 VanDerWaalsContact OD2-CB 3.3Å; D426-S429 WeakPolarHBondContact OD2-CB 3.34Å; D426-S429 PolarHBondContact OD2-N 3.2Å; D426-S429 PolarHBondContact OD2-OG 3.19Å; S429-S431 PolarHBondContact O-N 3.41Å; S429-S431 PolarHBondContact OG-OG 3.07Å
430Q90.8Very high91.9Very high105 Ų10560.1 Ų60.149%0.49131%0.31SS..THydrogen-bonded Turntrans50.442.2-172.7-59.6-172.3-65.800112.4G394 R395 F425 D426 T428G394-Q430 CarbonylContact C-O 3.58Å; G394-Q430 WeakPolarHBondContact CA-O 3.4Å; R395-Q430 PolarHBondContact N-O 2.95Å; F425-Q430 HydrophobicContact CZ-CB 4.22Å; D426-Q430 WeakPolarHBondContact O-CA 3.33Å; D426-Q430 PolarHBondContact O-N 2.89Å; T428-Q430 VanDerWaalsContact C-N 3.33Å
431S92.7Very high91.7Very high31 Ų3161 Ų6122%0.21731%0.314CS..EExtended strand (participates in β ladder)trans-143.2149.7-178.866.80000112.5R395 D426 S429R395-S431 WeakPolarHBondContact O-CA 3.44Å; D426-S431 PolarHBondContact N-O 2.87Å; D426-S431 PolarHBondContact O-N 3.04Å; S429-S431 PolarHBondContact O-N 3.41Å; S429-S431 PolarHBondContact OG-OG 3.07Å
432A93.1Very high91.3Very high8 Ų859.1 Ų59.17%0.06632%0.316CS..EExtended strand (participates in β ladder)trans-74.3143.517000000110.8R395 D396 I397 R424R395-A432 PolarHBondContact O-N 3.42Å; D396-A432 HydrophobicContact CB-CB 3.91Å; D396-A432 VanDerWaalsContact O-CB 3.22Å; D396-A432 WeakPolarHBondContact O-CB 3.48Å; I397-A432 HydrophobicContact CG2-CB 4.16Å; R424-A432 WeakPolarHBondContact O-CA 3.3Å
433D91.8Very high90.7Very high40 Ų4059 Ų5921%0.21432%0.315CS..PPolyproline II helixtrans-65.7149.9-179.7-91.6-24.2000112.7R424 G435 Y436R424-D433 IonicContact CZ-OD2 3.39Å; R424-D433 IonicContact NE-OD2 2.81Å; R424-D433 PolarHBondContact NE-OD2 3.08Å; R424-D433 IonicContact NH2-OD2 3.52Å; R424-D433 PolarHBondContact NH2-OD2 3.3Å; R424-D433 PolarHBondContact O-N 3.18Å; D433-G435 PolarHBondContact O-N 3.36Å; D433-Y436 HydrophobicContact CB-CD2 3.68Å; D433-Y436 HydrophobicContact CB-CE2 3.94Å; D433-Y436 WeakPolarHBondContact O-CB 3.37Å; D433-Y436 WeakPolarHBondContact O-CD2 3.34Å; D433-Y436 PolarHBondContact O-N 2.95Å
434R90.3Very high90.1Very high250 Ų25060.3 Ų60.394%0.94332%0.324SS*.THydrogen-bonded Turntrans-60.8133.6176.2-66.4-176.4-179.2172.61.4110.9
435G88.3Confident89.4Confident58 Ų5861.6 Ų61.660%0.59834%0.344SS*.THydrogen-bonded Turntrans90.39.3-178.700000114.4D433 K438D433-G435 PolarHBondContact O-N 3.36Å; G435-K438 WeakPolarHBondContact O-CE 3.48Å; G435-K438 WeakPolarHBondContact O-CG 3.17Å
436Y91.1Very high88.8Confident35 Ų3563.8 Ų63.814%0.13736%0.359CS..  trans-100.3152.7163.6-72.9-84.5000110.7Y422 R424 D433 K438Y422-Y436 HydrophobicContact CD2-CD1 4.43Å; Y422-Y436 AromaticContact CD2-CE1 3.96Å; Y422-Y436 HydrophobicContact CD2-CE1 3.96Å; Y422-Y436 HydrophobicContact CE2-CD1 4.21Å; Y422-Y436 AromaticContact CE2-CE1 3.34Å; Y422-Y436 HydrophobicContact CE2-CE1 3.34Å; Y422-Y436 AromaticContact CZ-CE1 3.66Å; Y422-Y436 WeakPolarHBondContact O-CD1 3.31Å; R424-Y436 HydrophobicContact CB-CD1 4.28Å; R424-Y436 HydrophobicContact CB-CD2 3.98Å; R424-Y436 HydrophobicContact CB-CE1 3.87Å; R424-Y436 HydrophobicContact CB-CE2 3.53Å; R424-Y436 HydrophobicContact CB-CG 4.33Å; R424-Y436 VanDerWaalsContact CB-CZ 3.46Å; D433-Y436 HydrophobicContact CB-CD2 3.68Å; D433-Y436 HydrophobicContact CB-CE2 3.94Å; D433-Y436 WeakPolarHBondContact O-CB 3.37Å; D433-Y436 WeakPolarHBondContact O-CD2 3.34Å; D433-Y436 PolarHBondContact O-N 2.95Å; Y436-K438 HydrophobicContact CD1-CB 4.2Å; Y436-K438 HydrophobicContact CD1-CD 4.24Å; Y436-K438 HydrophobicContact CD1-CG 3.9Å; Y436-K438 HydrophobicContact CE1-CB 4.16Å; Y436-K438 HydrophobicContact CE1-CD 3.73Å; Y436-K438 HydrophobicContact CE1-CG 3.88Å
437P93.4Very high88.5Confident60 Ų6062.3 Ų62.339%0.3935%0.352SS..  cis-72.1153.92.424.3-30.4000115.2R421 Y422 W423R421-P437 HydrophobicContact CB-CB 3.98Å; R421-P437 HydrophobicContact CG-CB 4.24Å; Y422-P437 VanDerWaalsContact O-CA 3.28Å; Y422-P437 WeakPolarHBondContact O-CA 3.31Å; W423-P437 HydrophobicContact CD2-CB 3.88Å; W423-P437 VanDerWaalsContact CE2-CB 3.45Å; W423-P437 HydrophobicContact CE3-CB 4.36Å; W423-P437 HydrophobicContact CG-CB 4.41Å; W423-P437 HydrophobicContact CH2-CB 4Å; W423-P437 HydrophobicContact CH2-CG 4.43Å; W423-P437 HydrophobicContact CZ2-CB 3.53Å; W423-P437 HydrophobicContact CZ2-CG 3.67Å; W423-P437 HydrophobicContact CZ3-CB 4.38Å
438K92.6Very high88.5Confident89 Ų8962.6 Ų62.639%0.38736%0.355SS..EExtended strand (participates in β ladder)trans-116.6159.7171.2-68.5-176-177.9174.90110.9R421 Y422 G435 Y436R421-K438 CarbonylContact C-O 3.54Å; R421-K438 VanDerWaalsContact CA-O 3.3Å; R421-K438 WeakPolarHBondContact CA-O 3.44Å; Y422-K438 HydrophobicContact CD1-CB 4.14Å; Y422-K438 VanDerWaalsContact CD1-O 3.31Å; Y422-K438 WeakPolarHBondContact CD1-O 3.5Å; Y422-K438 HydrophobicContact CE1-CB 3.54Å; Y422-K438 PolarHBondContact N-O 2.85Å; Y422-K438 PolarHBondContact O-N 2.71Å; G435-K438 WeakPolarHBondContact O-CE 3.48Å; G435-K438 WeakPolarHBondContact O-CG 3.17Å; Y436-K438 HydrophobicContact CD1-CB 4.2Å; Y436-K438 HydrophobicContact CD1-CD 4.24Å; Y436-K438 HydrophobicContact CD1-CG 3.9Å; Y436-K438 HydrophobicContact CE1-CB 4.16Å; Y436-K438 HydrophobicContact CE1-CD 3.73Å; Y436-K438 HydrophobicContact CE1-CG 3.88Å
439S92.4Very high88.5Confident47 Ų4759.5 Ų59.533%0.32934%0.338SS..EExtended strand (participates in β ladder)trans-63.5139.3173-176.40000110.6Y422 D441 V442Y422-S439 WeakPolarHBondContact CD1-O 3.34Å; Y422-S439 WeakPolarHBondContact CE1-O 3.34Å; S439-D441 PolarHBondContact O-N 3.23Å; S439-D441 VanDerWaalsContact OG-CG 3.27Å; S439-D441 PolarHBondContact OG-N 3.29Å; S439-D441 PolarHBondContact OG-OD2 3.47Å; S439-V442 WeakPolarHBondContact O-CG2 3.46Å; S439-V442 PolarHBondContact O-N 3.04Å
440I90.3Very high88.4Confident3 Ų357.6 Ų57.62%0.01533%0.325CS..G310 helixtrans-60.8-20.3174.5-162.8167.9000112.8F417 D420 V442 W443 V447 P448 P451F417-I440 HydrophobicContact CD1-CD1 3.8Å; F417-I440 HydrophobicContact CD1-CG1 4.21Å; F417-I440 HydrophobicContact CE1-CD1 4.21Å; F417-I440 HydrophobicContact CE1-CG1 4.26Å; D420-I440 PolarHBondContact O-N 3.22Å; I440-V442 PolarHBondContact O-N 3.47Å; I440-W443 WeakPolarHBondContact O-CB 3.24Å; I440-W443 PolarHBondContact O-N 3.09Å; I440-V447 HydrophobicContact CD1-CG1 4.08Å; I440-V447 HydrophobicContact CG1-CG1 4.28Å; I440-P448 WeakPolarHBondContact CD1-O 3.31Å; I440-P451 HydrophobicContact CD1-CG 4.43Å
441D87.8Confident88.6Confident101 Ų10152.6 Ų52.654%0.5430%0.302SS..G310 helixtrans-58.1-17.5178.2-54.9-42.9000113.9S439 W443 D444S439-D441 PolarHBondContact O-N 3.23Å; S439-D441 VanDerWaalsContact OG-CG 3.27Å; S439-D441 PolarHBondContact OG-N 3.29Å; S439-D441 PolarHBondContact OG-OD2 3.47Å; D441-W443 PolarHBondContact O-N 2.99Å; D441-D444 CarbonylContact O-C 3.53Å; D441-D444 PolarHBondContact O-N 2.91Å
442V85.7Confident88.5Confident80 Ų8054.9 Ų54.949%0.48531%0.307SS..G310 helixtrans-60.8-28.5171177.70000111.6Y422 S439 I440 D444Y422-V442 HydrophobicContact CE1-CB 4.04Å; Y422-V442 HydrophobicContact CE1-CG2 4.3Å; S439-V442 WeakPolarHBondContact O-CG2 3.46Å; S439-V442 PolarHBondContact O-N 3.04Å; I440-V442 PolarHBondContact O-N 3.47Å; V442-D444 PolarHBondContact O-N 3.45Å
443W80.8Confident88.5Confident6 Ų654.5 Ų54.52%0.02330%0.304CS..G310 helixtrans-84.128175.5-65.687000112.7W408 Y415 F417 Y422 I440 D441 V447 F465 F474W408-W443 AromaticContact CD2-CH2 3.93Å; W408-W443 HydrophobicContact CD2-CH2 3.93Å; W408-W443 AromaticContact CE2-CH2 3.87Å; W408-W443 HydrophobicContact CE3-CH2 4.18Å; W408-W443 HydrophobicContact CG-CH2 4.39Å; W408-W443 HydrophobicContact CH2-CH2 4.41Å; W408-W443 HydrophobicContact CZ2-CH2 4.12Å; W408-W443 HydrophobicContact CZ2-CZ3 4.05Å; W408-W443 HydrophobicContact CZ3-CH2 4.43Å; Y415-W443 HydrophobicContact CD1-CH2 4.37Å; Y415-W443 AromaticContact CD1-CZ2 3.53Å; Y415-W443 HydrophobicContact CD1-CZ2 3.53Å; Y415-W443 HydrophobicContact CE1-CH2 4.35Å; Y415-W443 AromaticContact CE1-CZ2 3.62Å; Y415-W443 HydrophobicContact CE1-CZ2 3.62Å; Y415-W443 HydrophobicContact CG-CZ2 4.12Å; F417-W443 AromaticContact CE1-NE1 3.83Å; F417-W443 HydrophobicContact CZ-CZ2 4.13Å; Y422-W443 AromaticContact CD1-CD1 3.91Å; Y422-W443 AromaticContact CD1-NE1 3.76Å; Y422-W443 AromaticContact CD2-NE1 3.57Å; Y422-W443 AromaticContact CE1-CD1 3.8Å; Y422-W443 AromaticContact CE1-NE1 3.63Å; Y422-W443 AromaticContact CE2-NE1 3.41Å; Y422-W443 AromaticContact CG-NE1 3.72Å; Y422-W443 AromaticContact CZ-NE1 3.46Å; I440-W443 WeakPolarHBondContact O-CB 3.24Å; I440-W443 PolarHBondContact O-N 3.09Å; D441-W443 PolarHBondContact O-N 2.99Å; W443-V447 HydrophobicContact CB-CB 4.44Å; W443-V447 HydrophobicContact CB-CG2 4.33Å; W443-V447 WeakPolarHBondContact O-CG2 3.42Å; W443-F465 HydrophobicContact CD2-CZ 4.1Å; W443-F465 HydrophobicContact CE3-CE2 4.07Å; W443-F465 AromaticContact CE3-CZ 3.73Å; W443-F465 HydrophobicContact CE3-CZ 3.73Å; W443-F465 HydrophobicContact CZ3-CZ 4.14Å; W443-F474 HydrophobicContact CE3-CD1 4.08Å; W443-F474 AromaticContact CE3-CE1 3.8Å; W443-F474 HydrophobicContact CE3-CE1 3.8Å; W443-F474 HydrophobicContact CE3-CZ 4.07Å; W443-F474 HydrophobicContact CZ3-CD1 4.27Å; W443-F474 HydrophobicContact CZ3-CE1 4.03Å; W443-F474 WeakPolarHBondContact O-CD2 3.36Å; W443-F474 WeakPolarHBondContact O-CE2 3.37Å
444D82.4Confident88.6Confident45 Ų4552.8 Ų52.824%0.24130%0.296CS..  trans71.3136.7-169-169.5-88.1000113.5D441 V442 S446 V447 F474D441-D444 CarbonylContact O-C 3.53Å; D441-D444 PolarHBondContact O-N 2.91Å; V442-D444 PolarHBondContact O-N 3.45Å; D444-S446 PolarHBondContact O-N 3.37Å; D444-S446 WeakPolarHBondContact OD1-CB 3.36Å; D444-S446 PolarHBondContact OD1-N 3.4Å; D444-S446 PolarHBondContact OD1-OG 2.69Å; D444-V447 PolarHBondContact O-N 2.87Å; D444-F474 HydrophobicContact CB-CD2 4.5Å; D444-F474 HydrophobicContact CB-CE2 4.13Å
445S79.5Confident88.7Confident101 Ų10141 Ų4171%0.70625%0.252SS*.THydrogen-bonded Turntrans-59.7-14.1-178.859.20000114.9
446S81.7Confident88.8Confident45 Ų4539.4 Ų39.432%0.31523%0.229SC..THydrogen-bonded Turntrans-79.6-20.6175.862.60000113.7D444 W472 S481D444-S446 PolarHBondContact O-N 3.37Å; D444-S446 WeakPolarHBondContact OD1-CB 3.36Å; D444-S446 PolarHBondContact OD1-N 3.4Å; D444-S446 PolarHBondContact OD1-OG 2.69Å; S446-W472 PolarHBondContact O-NE1 3.41Å; S446-S481 WeakPolarHBondContact OG-CB 3.23Å; S446-S481 PolarHBondContact OG-OG 2.95Å
447V86.4Confident88.6Confident6 Ų638.8 Ų38.84%0.03623%0.23CC..SBendtrans-70.2130.7177.2171.80000109.2I440 W443 D444 F465 F474I440-V447 HydrophobicContact CD1-CG1 4.08Å; I440-V447 HydrophobicContact CG1-CG1 4.28Å; W443-V447 HydrophobicContact CB-CB 4.44Å; W443-V447 HydrophobicContact CB-CG2 4.33Å; W443-V447 WeakPolarHBondContact O-CG2 3.42Å; D444-V447 PolarHBondContact O-N 2.87Å; V447-F465 HydrophobicContact CG1-CB 4.32Å; V447-F465 HydrophobicContact CG1-CD1 4.18Å; V447-F465 HydrophobicContact CG1-CD2 3.89Å; V447-F465 HydrophobicContact CG1-CE1 4.49Å; V447-F465 HydrophobicContact CG1-CE2 4.22Å; V447-F465 HydrophobicContact CG1-CG 3.86Å; V447-F465 HydrophobicContact CG2-CD2 3.84Å; V447-F465 HydrophobicContact CG2-CE2 4.08Å; V447-F474 HydrophobicContact CG2-CD2 4.49Å
448P89.2Confident88Confident18 Ų1843.5 Ų43.512%0.11725%0.252CS..PPolyproline II helixtrans-71.4142.8-176.131.3-38.2000111.1I440 K467 W472I440-P448 WeakPolarHBondContact CD1-O 3.31Å; P448-K467 HydrophobicContact CB-CB 4.34Å; P448-K467 HydrophobicContact CB-CD 3.63Å; P448-K467 HydrophobicContact CG-CB 3.97Å; P448-K467 HydrophobicContact CG-CD 4.12Å; P448-W472 HydrophobicContact CB-CH2 4.06Å; P448-W472 HydrophobicContact CB-CZ2 4.15Å; P448-W472 HydrophobicContact CB-CZ3 4.35Å; P448-W472 HydrophobicContact CG-CD2 3.99Å; P448-W472 HydrophobicContact CG-CE3 3.66Å; P448-W472 HydrophobicContact CG-CH2 3.82Å; P448-W472 HydrophobicContact CG-CZ2 4.08Å; P448-W472 HydrophobicContact CG-CZ3 3.61Å
449S88.4Confident87.3Confident59 Ų5944.7 Ų44.741%0.41326%0.262SS..SBendtrans-59144.6165.4580000111K467S449-K467 WeakPolarHBondContact O-CE 3.04Å; S449-K467 PolarHBondContact O-NZ 3.4Å
450S88.7Confident86.9Confident23 Ų2342.9 Ų42.916%0.16125%0.251CS..SBendtrans4866.4-179.2-169.60000111.9D403 G419D403-S450 PolarHBondContact OD2-OG 2.99Å; G419-S450 WeakPolarHBondContact O-CA 3.4Å; G419-S450 PolarHBondContact O-N 2.89Å
451P93.2Very high86.6Confident0 Ų043.9 Ų43.90%026%0.26CS..  trans-58.2155.5168.527.5-33.2000109.7T404 F417 I440 F465T404-P451 HydrophobicContact CG2-CG 4.34Å; T404-P451 PolarHBondContact OG1-O 3.14Å; F417-P451 HydrophobicContact CB-CG 4.14Å; F417-P451 HydrophobicContact CD1-CG 4.47Å; F417-P451 HydrophobicContact CG-CG 4.24Å; I440-P451 HydrophobicContact CD1-CG 4.43Å; P451-F465 HydrophobicContact CB-CD1 4.2Å; P451-F465 HydrophobicContact CG-CD1 4.18Å
452K92.4Very high86.8Confident78 Ų7842 Ų4234%0.33925%0.246SC..SBendtrans-100.4-15.3175.2-70.9-66.7-178.6-176.80112.7T312 Y466T312-K452 WeakPolarHBondContact CA-O 3.37Å; T312-K452 WeakPolarHBondContact CB-O 3.06Å; T312-K452 PolarHBondContact OG1-O 2.82Å; K452-Y466 HydrophobicContact CB-CD1 3.9Å; K452-Y466 HydrophobicContact CB-CE1 3.96Å; K452-Y466 PolarHBondContact N-O 2.8Å
453G92.9Very high87Confident0 Ų038.1 Ų38.10%022%0.222CC..EExtended strand (participates in β ladder)trans-157.7153.2171.300000110.5V313 T404 Y466V313-G453 WeakPolarHBondContact O-CA 3.42Å; T404-G453 PolarHBondContact OG1-N 3.02Å; G453-Y466 PolarHBondContact N-O 3.05Å; G453-Y466 PolarHBondContact O-N 2.81Å
454A93.6Very high87.6Confident5 Ų538.9 Ų38.94%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-142.7135.6171.900000109.3T404 I406 F464 F465T404-A454 HydrophobicContact CG2-CB 3.48Å; T404-A454 VanDerWaalsContact CG2-CB 3.48Å; I406-A454 HydrophobicContact CB-CB 4.13Å; I406-A454 HydrophobicContact CD1-CB 4.1Å; I406-A454 HydrophobicContact CG2-CB 4.28Å; A454-F464 VanDerWaalsContact CA-O 3.24Å; A454-F464 WeakPolarHBondContact CA-O 3.45Å; A454-F465 HydrophobicContact CB-CD1 3.94Å; A454-F465 HydrophobicContact CB-CE1 4.03Å
455F92.8Very high88.2Confident3 Ų336.8 Ų36.81%0.01322%0.215CC..EExtended strand (participates in β ladder)trans-151.3154.5178.454.8-89.7000111.3V313 M315 M320 F464 F493V313-F455 HydrophobicContact CG1-CD1 4.1Å; V313-F455 HydrophobicContact CG1-CE1 3.93Å; M315-F455 HydrophobicContact CB-CB 3.95Å; M315-F455 HydrophobicContact CE-CD2 4.19Å; M320-F455 HydrophobicContact CE-CD1 4.49Å; M320-F455 HydrophobicContact CE-CD2 4.1Å; M320-F455 HydrophobicContact CE-CE1 3.96Å; M320-F455 HydrophobicContact CE-CE2 3.5Å; M320-F455 VanDerWaalsContact CE-CE2 3.5Å; M320-F455 HydrophobicContact CE-CZ 3.43Å; M320-F455 VanDerWaalsContact CE-CZ 3.43Å; F455-F464 HydrophobicContact CD1-CB 4.48Å; F455-F464 HydrophobicContact CD2-CB 3.98Å; F455-F464 AromaticContact CD2-CD2 3.79Å; F455-F464 HydrophobicContact CD2-CD2 3.79Å; F455-F464 HydrophobicContact CD2-CG 4.27Å; F455-F464 HydrophobicContact CE1-CB 4.11Å; F455-F464 HydrophobicContact CE2-CB 3.57Å; F455-F464 AromaticContact CE2-CD2 3.5Å; F455-F464 HydrophobicContact CE2-CD2 3.5Å; F455-F464 VanDerWaalsContact CE2-CD2 3.5Å; F455-F464 HydrophobicContact CE2-CE2 4.36Å; F455-F464 AromaticContact CE2-CG 3.72Å; F455-F464 HydrophobicContact CE2-CG 3.72Å; F455-F464 HydrophobicContact CG-CB 4.42Å; F455-F464 HydrophobicContact CZ-CB 3.63Å; F455-F464 HydrophobicContact CZ-CD2 4.37Å; F455-F464 HydrophobicContact CZ-CG 4.14Å; F455-F464 PolarHBondContact N-O 3.19Å; F455-F464 VanDerWaalsContact N-O 3.08Å; F455-F464 PolarHBondContact O-N 3.38Å; F455-F493 AromaticContact CE2-CE1 3.73Å; F455-F493 HydrophobicContact CE2-CE1 3.73Å; F455-F493 AromaticContact CE2-CZ 3.79Å; F455-F493 HydrophobicContact CE2-CZ 3.79Å; F455-F493 HydrophobicContact CZ-CD1 4.47Å; F455-F493 AromaticContact CZ-CE1 3.9Å; F455-F493 HydrophobicContact CZ-CE1 3.9Å; F455-F493 HydrophobicContact CZ-CE2 4.27Å; F455-F493 AromaticContact CZ-CZ 3.78Å; F455-F493 HydrophobicContact CZ-CZ 3.78Å
456L90.1Very high88.9Confident24 Ų2432 Ų3213%0.12618%0.181CC..EExtended strand (participates in β ladder)trans-86.7156.1177.3-72.2171.1000111.3I406 E409 Y462 T463I406-L456 HydrophobicContact CD1-CG 4.07Å; E409-L456 HydrophobicContact CB-CD1 3.89Å; L456-Y462 WeakPolarHBondContact CA-O 3.4Å; L456-T463 WeakPolarHBondContact CD2-OG1 3.45Å
457S86.5Confident89.4Confident21 Ų2133.5 Ų33.515%0.14718%0.182CC..  trans-68.315916253.30000111.1D459 G460 A461 Y462S457-D459 WeakPolarHBondContact CB-OD1 3.47Å; S457-D459 PolarHBondContact O-N 2.9Å; S457-D459 PolarHBondContact OG-OD1 2.84Å; S457-G460 PolarHBondContact O-N 2.99Å; S457-A461 PolarHBondContact OG-N 2.79Å; S457-Y462 PolarHBondContact N-O 3.27Å; S457-Y462 PolarHBondContact OG-N 3.29Å; S457-Y462 PolarHBondContact OG-O 2.83Å
458D79.6Confident89.5Confident159 Ų15934.7 Ų34.785%0.8520%0.196SC*.THydrogen-bonded Turntrans-55.6-26.7-180-62-12.4000113.8
459D79.4Confident89.5Confident114 Ų11436.2 Ų36.261%0.6121%0.207SC*.THydrogen-bonded Turntrans-970.917863.7-7.5000113.8S457 A461S457-D459 WeakPolarHBondContact CB-OD1 3.47Å; S457-D459 PolarHBondContact O-N 2.9Å; S457-D459 PolarHBondContact OG-OD1 2.84Å; D459-A461 PolarHBondContact O-N 2.99Å; D459-A461 WeakPolarHBondContact OD1-CB 3.2Å; D459-A461 PolarHBondContact OD1-N 3.13Å; D459-A461 VanDerWaalsContact OD1-N 3.16Å
460G82.9Confident89.6Confident9 Ų938.4 Ų38.49%0.09321%0.209CC..SBendtrans66.13.8-177.300000115S457 N476S457-G460 PolarHBondContact O-N 2.99Å; G460-N476 PolarHBondContact O-ND2 2.84Å
461A85.6Confident89.9Confident25 Ų2537.8 Ų37.821%0.20720%0.203CC..SBendtrans-72.9-29-17600000112.9S457 D459 N476S457-A461 PolarHBondContact OG-N 2.79Å; D459-A461 PolarHBondContact O-N 2.99Å; D459-A461 WeakPolarHBondContact OD1-CB 3.2Å; D459-A461 PolarHBondContact OD1-N 3.13Å; D459-A461 VanDerWaalsContact OD1-N 3.16Å; A461-N476 WeakPolarHBondContact O-CB 3.5Å; A461-N476 PolarHBondContact O-N 3.19Å; A461-N476 VanDerWaalsContact O-N 3.08Å
462Y90.1Very high89.9Confident60 Ų6039.2 Ų39.224%0.23521%0.208CC..EExtended strand (participates in β ladder)trans-126.2144.9-176.7-58.3-75.2000112L456 S457 K473 F474 D475 E482L456-Y462 WeakPolarHBondContact CA-O 3.4Å; S457-Y462 PolarHBondContact N-O 3.27Å; S457-Y462 PolarHBondContact OG-N 3.29Å; S457-Y462 PolarHBondContact OG-O 2.83Å; Y462-K473 HydrophobicContact CD1-CD 4.26Å; Y462-K473 HydrophobicContact CD1-CG 4.09Å; Y462-K473 HydrophobicContact CG-CD 4.37Å; Y462-K473 HydrophobicContact CG-CG 4.28Å; Y462-F474 CarbonylContact C-O 3.59Å; Y462-F474 VanDerWaalsContact CA-O 3.23Å; Y462-F474 WeakPolarHBondContact CA-O 3.38Å; Y462-D475 HydrophobicContact CD1-CB 4.18Å; Y462-D475 HydrophobicContact CE1-CB 4.04Å; Y462-E482 HydrophobicContact CE1-CG 4.16Å
463T91.5Very high89.9Confident0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-107.6130.4167.9-54.80000109.1I406 W408 L456 F465 F474 N476I406-T463 HydrophobicContact CD1-CG2 4.08Å; W408-T463 PolarHBondContact NE1-OG1 2.77Å; L456-T463 WeakPolarHBondContact CD2-OG1 3.45Å; T463-F465 HydrophobicContact CG2-CD2 4.37Å; T463-F465 HydrophobicContact CG2-CE1 4.44Å; T463-F465 HydrophobicContact CG2-CE2 3.78Å; T463-F465 HydrophobicContact CG2-CZ 3.82Å; T463-F474 PolarHBondContact N-O 3.42Å; T463-F474 WeakPolarHBondContact O-CB 3.2Å; T463-F474 PolarHBondContact O-N 3.23Å; T463-N476 WeakPolarHBondContact CB-OD1 3.49Å; T463-N476 PolarHBondContact N-OD1 2.84Å; T463-N476 PolarHBondContact OG1-ND2 3.13Å; T463-N476 PolarHBondContact OG1-OD1 2.65Å
464F93.3Very high89.8Confident22 Ų2237.2 Ų37.210%0.09620%0.2CC..EExtended strand (participates in β ladder)trans-103.6129.1175.5-60.2-82.7000110.1A454 F455 Y471 W472 K473 F493A454-F464 VanDerWaalsContact CA-O 3.24Å; A454-F464 WeakPolarHBondContact CA-O 3.45Å; F455-F464 HydrophobicContact CD1-CB 4.48Å; F455-F464 HydrophobicContact CD2-CB 3.98Å; F455-F464 AromaticContact CD2-CD2 3.79Å; F455-F464 HydrophobicContact CD2-CD2 3.79Å; F455-F464 HydrophobicContact CD2-CG 4.27Å; F455-F464 HydrophobicContact CE1-CB 4.11Å; F455-F464 HydrophobicContact CE2-CB 3.57Å; F455-F464 AromaticContact CE2-CD2 3.5Å; F455-F464 HydrophobicContact CE2-CD2 3.5Å; F455-F464 VanDerWaalsContact CE2-CD2 3.5Å; F455-F464 HydrophobicContact CE2-CE2 4.36Å; F455-F464 AromaticContact CE2-CG 3.72Å; F455-F464 HydrophobicContact CE2-CG 3.72Å; F455-F464 HydrophobicContact CG-CB 4.42Å; F455-F464 HydrophobicContact CZ-CB 3.63Å; F455-F464 HydrophobicContact CZ-CD2 4.37Å; F455-F464 HydrophobicContact CZ-CG 4.14Å; F455-F464 PolarHBondContact N-O 3.19Å; F455-F464 VanDerWaalsContact N-O 3.08Å; F455-F464 PolarHBondContact O-N 3.38Å; F464-Y471 AromaticContact CD1-CD2 3.79Å; F464-Y471 HydrophobicContact CD1-CD2 3.79Å; F464-Y471 AromaticContact CD1-CE2 3.84Å; F464-Y471 HydrophobicContact CD1-CE2 3.84Å; F464-Y471 HydrophobicContact CE1-CD2 4.45Å; F464-Y471 HydrophobicContact CE1-CE2 4.04Å; F464-W472 CarbonylContact C-O 3.59Å; F464-W472 VanDerWaalsContact CA-O 3.27Å; F464-W472 WeakPolarHBondContact CA-O 3.08Å; F464-K473 HydrophobicContact CD1-CB 4.01Å; F464-K473 HydrophobicContact CD1-CG 4.05Å; F464-K473 HydrophobicContact CE1-CB 3.91Å; F464-K473 HydrophobicContact CE1-CD 3.8Å; F464-K473 HydrophobicContact CE1-CG 3.58Å; F464-K473 HydrophobicContact CZ-CD 4.32Å; F464-K473 HydrophobicContact CZ-CG 4.27Å; F464-F493 HydrophobicContact CD1-CZ 4.2Å; F464-F493 HydrophobicContact CE1-CZ 4.25Å; F464-F493 HydrophobicContact CG-CZ 4.36Å; F464-F493 HydrophobicContact CZ-CZ 4.47Å
465F94.6Very high89.6Confident0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-108134.7172.2-66.3-82.4000109.8F417 W443 V447 P451 A454 T463 Y471 W472 F474F417-F465 HydrophobicContact CE1-CE1 4.12Å; F417-F465 HydrophobicContact CE2-CE1 4.21Å; F417-F465 AromaticContact CZ-CE1 3.78Å; F417-F465 HydrophobicContact CZ-CE1 3.78Å; F417-F465 HydrophobicContact CZ-CZ 4.2Å; W443-F465 HydrophobicContact CD2-CZ 4.1Å; W443-F465 HydrophobicContact CE3-CE2 4.07Å; W443-F465 AromaticContact CE3-CZ 3.73Å; W443-F465 HydrophobicContact CE3-CZ 3.73Å; W443-F465 HydrophobicContact CZ3-CZ 4.14Å; V447-F465 HydrophobicContact CG1-CB 4.32Å; V447-F465 HydrophobicContact CG1-CD1 4.18Å; V447-F465 HydrophobicContact CG1-CD2 3.89Å; V447-F465 HydrophobicContact CG1-CE1 4.49Å; V447-F465 HydrophobicContact CG1-CE2 4.22Å; V447-F465 HydrophobicContact CG1-CG 3.86Å; V447-F465 HydrophobicContact CG2-CD2 3.84Å; V447-F465 HydrophobicContact CG2-CE2 4.08Å; P451-F465 HydrophobicContact CB-CD1 4.2Å; P451-F465 HydrophobicContact CG-CD1 4.18Å; A454-F465 HydrophobicContact CB-CD1 3.94Å; A454-F465 HydrophobicContact CB-CE1 4.03Å; T463-F465 HydrophobicContact CG2-CD2 4.37Å; T463-F465 HydrophobicContact CG2-CE1 4.44Å; T463-F465 HydrophobicContact CG2-CE2 3.78Å; T463-F465 HydrophobicContact CG2-CZ 3.82Å; F465-Y471 CarbonylContact O-C 3.56Å; F465-Y471 WeakPolarHBondContact O-CA 3.32Å; F465-Y471 WeakPolarHBondContact O-CB 3.03Å; F465-W472 HydrophobicContact CB-CB 4.45Å; F465-W472 PolarHBondContact N-O 2.71Å; F465-W472 PolarHBondContact O-N 2.75Å; F465-F474 HydrophobicContact CD2-CB 4.37Å; F465-F474 HydrophobicContact CE2-CB 4.07Å; F465-F474 HydrophobicContact CE2-CG 4.43Å
466Y93.9Very high89.3Confident1 Ų138.1 Ų38.10%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-114.4134.8-178.2165.7-112.7000111.5F310 V313 K452 G453 G468 K470 I489F310-Y466 HydrophobicContact CB-CE1 3.91Å; F310-Y466 HydrophobicContact CD2-CE1 4.06Å; F310-Y466 HydrophobicContact CD2-CE2 4.27Å; F310-Y466 AromaticContact CD2-CZ 3.62Å; F310-Y466 VanDerWaalsContact CD2-OH 3.31Å; F310-Y466 WeakPolarHBondContact CD2-OH 3.35Å; F310-Y466 HydrophobicContact CG-CE1 4.48Å; F310-Y466 PolarHBondContact N-OH 2.71Å; V313-Y466 HydrophobicContact CB-CD1 4.39Å; V313-Y466 HydrophobicContact CG2-CD1 3.76Å; V313-Y466 HydrophobicContact CG2-CE1 3.97Å; V313-Y466 HydrophobicContact CG2-CG 4.34Å; K452-Y466 HydrophobicContact CB-CD1 3.9Å; K452-Y466 HydrophobicContact CB-CE1 3.96Å; K452-Y466 PolarHBondContact N-O 2.8Å; G453-Y466 PolarHBondContact N-O 3.05Å; G453-Y466 PolarHBondContact O-N 2.81Å; Y466-G468 WeakPolarHBondContact CE2-O 3.46Å; Y466-G468 PolarHBondContact OH-O 2.98Å; Y466-K470 VanDerWaalsContact CD2-O 3.31Å; Y466-K470 WeakPolarHBondContact CD2-O 3.1Å; Y466-I489 HydrophobicContact CD2-CB 4.17Å; Y466-I489 HydrophobicContact CD2-CD1 3.4Å; Y466-I489 VanDerWaalsContact CD2-CD1 3.4Å; Y466-I489 HydrophobicContact CD2-CG1 4.36Å; Y466-I489 HydrophobicContact CD2-CG2 3.94Å; Y466-I489 HydrophobicContact CE2-CB 4.31Å; Y466-I489 HydrophobicContact CE2-CD1 3.97Å; Y466-I489 HydrophobicContact CE2-CG2 3.58Å; Y466-I489 HydrophobicContact CG-CD1 3.83Å
467K92.7Very high89.1Confident76 Ų7645.1 Ų45.133%0.3324%0.236SC..EExtended strand (participates in β ladder)trans-154.5127.1169.7-167.7178.2-179.1-178.20111.7P448 S449 S469 K470 W472P448-K467 HydrophobicContact CB-CB 4.34Å; P448-K467 HydrophobicContact CB-CD 3.63Å; P448-K467 HydrophobicContact CG-CB 3.97Å; P448-K467 HydrophobicContact CG-CD 4.12Å; S449-K467 WeakPolarHBondContact O-CE 3.04Å; S449-K467 PolarHBondContact O-NZ 3.4Å; K467-S469 PolarHBondContact O-N 3.07Å; K467-K470 PolarHBondContact N-O 2.04Å; K467-K470 PolarHBondContact O-N 2.95Å; K467-K470 VanDerWaalsContact O-N 3.12Å; K467-K470 VanDerWaalsContact O-O 3.09Å; K467-W472 HydrophobicContact CB-CH2 4.22Å; K467-W472 HydrophobicContact CB-CZ3 3.81Å
468G88.6Confident89.1Confident32 Ų3252.5 Ų52.533%0.3326%0.261SS..THydrogen-bonded Turntrans69.7-116.1177.200000112.4Y466Y466-G468 WeakPolarHBondContact CE2-O 3.46Å; Y466-G468 PolarHBondContact OH-O 2.98Å
469S87.8Confident89.4Confident49 Ų4948.8 Ų48.834%0.34324%0.239SC..THydrogen-bonded Turntrans-102.53.1172.855.50000112.9K467 S488 I489K467-S469 PolarHBondContact O-N 3.07Å; S469-S488 WeakPolarHBondContact O-CA 3.45Å; S469-I489 PolarHBondContact O-N 2.8Å; S469-I489 VanDerWaalsContact O-N 3.13Å
470K92.1Very high89.7Confident105 Ų10549.7 Ų49.746%0.45724%0.238SC..EExtended strand (participates in β ladder)trans-119.5152.6-166-69.8179.7-173.1178.10112.2Y466 K467 W472 P486 K487Y466-K470 VanDerWaalsContact CD2-O 3.31Å; Y466-K470 WeakPolarHBondContact CD2-O 3.1Å; K467-K470 PolarHBondContact N-O 2.04Å; K467-K470 PolarHBondContact O-N 2.95Å; K467-K470 VanDerWaalsContact O-N 3.12Å; K467-K470 VanDerWaalsContact O-O 3.09Å; K470-W472 HydrophobicContact CB-CH2 3.76Å; K470-W472 HydrophobicContact CB-CZ3 3.79Å; K470-W472 WeakPolarHBondContact O-CZ3 3.14Å; K470-P486 HydrophobicContact CB-CB 3.94Å; K470-P486 HydrophobicContact CD-CB 4.09Å; K470-P486 HydrophobicContact CD-CG 3.99Å; K470-P486 HydrophobicContact CG-CB 4.31Å; K470-K487 CarbonylContact C-O 3.59Å; K470-K487 VanDerWaalsContact CA-O 3.22Å; K470-K487 WeakPolarHBondContact CA-O 3.48Å
471Y93.8Very high89.9Confident10 Ų1050.4 Ų50.44%0.03924%0.241CC..EExtended strand (participates in β ladder)trans-133.2152.1169.678.8-82.1000111.6F464 F465 Y485 P486 K487 I489 D492 F493F464-Y471 AromaticContact CD1-CD2 3.79Å; F464-Y471 HydrophobicContact CD1-CD2 3.79Å; F464-Y471 AromaticContact CD1-CE2 3.84Å; F464-Y471 HydrophobicContact CD1-CE2 3.84Å; F464-Y471 HydrophobicContact CE1-CD2 4.45Å; F464-Y471 HydrophobicContact CE1-CE2 4.04Å; F465-Y471 CarbonylContact O-C 3.56Å; F465-Y471 WeakPolarHBondContact O-CA 3.32Å; F465-Y471 WeakPolarHBondContact O-CB 3.03Å; Y471-Y485 HydrophobicContact CD2-CD1 4.28Å; Y471-Y485 HydrophobicContact CD2-CE1 4.2Å; Y471-Y485 AromaticContact CE2-CD1 3.85Å; Y471-Y485 HydrophobicContact CE2-CD1 3.85Å; Y471-Y485 AromaticContact CE2-CE1 3.35Å; Y471-Y485 HydrophobicContact CE2-CE1 3.35Å; Y471-Y485 AromaticContact CZ-CE1 3.63Å; Y471-P486 CarbonylContact O-C 3.46Å; Y471-P486 WeakPolarHBondContact O-CA 3.28Å; Y471-P486 WeakPolarHBondContact O-CB 3.42Å; Y471-K487 HydrophobicContact CD1-CB 4.16Å; Y471-K487 WeakPolarHBondContact CD1-O 3.44Å; Y471-K487 HydrophobicContact CE1-CB 3.46Å; Y471-K487 VanDerWaalsContact CE1-CB 3.46Å; Y471-K487 PolarHBondContact N-O 3.08Å; Y471-K487 PolarHBondContact O-N 3.32Å; Y471-I489 HydrophobicContact CD1-CB 4.06Å; Y471-D492 HydrophobicContact CE1-CB 3.86Å; Y471-D492 WeakPolarHBondContact CE1-OD2 3.15Å; Y471-D492 PolarHBondContact OH-OD2 3.17Å; Y471-F493 HydrophobicContact CD1-CD2 4.28Å; Y471-F493 HydrophobicContact CD1-CE2 4.06Å; Y471-F493 AromaticContact CD2-CE2 3.81Å; Y471-F493 HydrophobicContact CD2-CE2 3.81Å; Y471-F493 HydrophobicContact CE1-CD2 4.15Å; Y471-F493 AromaticContact CE1-CE2 3.9Å; Y471-F493 HydrophobicContact CE1-CE2 3.9Å; Y471-F493 AromaticContact CE2-CE2 3.61Å; Y471-F493 HydrophobicContact CE2-CE2 3.61Å; Y471-F493 HydrophobicContact CE2-CZ 4.32Å; Y471-F493 HydrophobicContact CG-CE2 4.02Å; Y471-F493 AromaticContact CZ-CE2 3.68Å
472W93.8Very high90.1Very high31 Ų3151.3 Ų51.312%0.11724%0.241CC..EExtended strand (participates in β ladder)trans-116.5140.2178.9-67.7-108.6000108.8S446 P448 F464 F465 K467 K470 P486S446-W472 PolarHBondContact O-NE1 3.41Å; P448-W472 HydrophobicContact CB-CH2 4.06Å; P448-W472 HydrophobicContact CB-CZ2 4.15Å; P448-W472 HydrophobicContact CB-CZ3 4.35Å; P448-W472 HydrophobicContact CG-CD2 3.99Å; P448-W472 HydrophobicContact CG-CE3 3.66Å; P448-W472 HydrophobicContact CG-CH2 3.82Å; P448-W472 HydrophobicContact CG-CZ2 4.08Å; P448-W472 HydrophobicContact CG-CZ3 3.61Å; F464-W472 CarbonylContact C-O 3.59Å; F464-W472 VanDerWaalsContact CA-O 3.27Å; F464-W472 WeakPolarHBondContact CA-O 3.08Å; F465-W472 HydrophobicContact CB-CB 4.45Å; F465-W472 PolarHBondContact N-O 2.71Å; F465-W472 PolarHBondContact O-N 2.75Å; K467-W472 HydrophobicContact CB-CH2 4.22Å; K467-W472 HydrophobicContact CB-CZ3 3.81Å; K470-W472 HydrophobicContact CB-CH2 3.76Å; K470-W472 HydrophobicContact CB-CZ3 3.79Å; K470-W472 WeakPolarHBondContact O-CZ3 3.14Å; W472-P486 HydrophobicContact CD2-CB 3.89Å; W472-P486 HydrophobicContact CE3-CB 4.43Å; W472-P486 HydrophobicContact CG-CB 4.31Å; W472-P486 HydrophobicContact CH2-CB 4.33Å; W472-P486 HydrophobicContact CZ2-CB 3.82Å; W472-P486 HydrophobicContact CZ2-CG 3.92Å
473K93Very high90Very high35 Ų3553.7 Ų53.715%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-109.3118.6178-177.2179.9-179.7-172.60108.8Y462 F464 S481 E482 Y485Y462-K473 HydrophobicContact CD1-CD 4.26Å; Y462-K473 HydrophobicContact CD1-CG 4.09Å; Y462-K473 HydrophobicContact CG-CD 4.37Å; Y462-K473 HydrophobicContact CG-CG 4.28Å; F464-K473 HydrophobicContact CD1-CB 4.01Å; F464-K473 HydrophobicContact CD1-CG 4.05Å; F464-K473 HydrophobicContact CE1-CB 3.91Å; F464-K473 HydrophobicContact CE1-CD 3.8Å; F464-K473 HydrophobicContact CE1-CG 3.58Å; F464-K473 HydrophobicContact CZ-CD 4.32Å; F464-K473 HydrophobicContact CZ-CG 4.27Å; K473-S481 WeakPolarHBondContact O-CA 3.43Å; K473-E482 HydrophobicContact CB-CB 4.41Å; K473-E482 HydrophobicContact CD-CB 4.45Å; K473-E482 HydrophobicContact CD-CG 4.26Å; K473-E482 HydrophobicContact CG-CB 4.43Å; K473-E482 HydrophobicContact CG-CG 4.32Å; K473-E482 PolarHBondContact O-N 3.16Å; K473-Y485 HydrophobicContact CB-CD1 3.77Å; K473-Y485 HydrophobicContact CB-CD2 3.85Å; K473-Y485 HydrophobicContact CB-CE1 3.58Å; K473-Y485 HydrophobicContact CB-CE2 3.65Å; K473-Y485 HydrophobicContact CB-CG 3.91Å; K473-Y485 HydrophobicContact CD-CE1 4.37Å; K473-Y485 HydrophobicContact CD-CE2 3.84Å; K473-Y485 WeakPolarHBondContact CD-OH 3.31Å; K473-Y485 HydrophobicContact CG-CE2 4.31Å
474F90.6Very high89.6Confident0 Ų056.6 Ų56.60%029%0.294CS..EExtended strand (participates in β ladder)trans-107.3128.1-179.1-176.4-96.2000110.1W443 D444 V447 Y462 T463 F465 M479W443-F474 HydrophobicContact CE3-CD1 4.08Å; W443-F474 AromaticContact CE3-CE1 3.8Å; W443-F474 HydrophobicContact CE3-CE1 3.8Å; W443-F474 HydrophobicContact CE3-CZ 4.07Å; W443-F474 HydrophobicContact CZ3-CD1 4.27Å; W443-F474 HydrophobicContact CZ3-CE1 4.03Å; W443-F474 WeakPolarHBondContact O-CD2 3.36Å; W443-F474 WeakPolarHBondContact O-CE2 3.37Å; D444-F474 HydrophobicContact CB-CD2 4.5Å; D444-F474 HydrophobicContact CB-CE2 4.13Å; V447-F474 HydrophobicContact CG2-CD2 4.49Å; Y462-F474 CarbonylContact C-O 3.59Å; Y462-F474 VanDerWaalsContact CA-O 3.23Å; Y462-F474 WeakPolarHBondContact CA-O 3.38Å; T463-F474 PolarHBondContact N-O 3.42Å; T463-F474 WeakPolarHBondContact O-CB 3.2Å; T463-F474 PolarHBondContact O-N 3.23Å; F465-F474 HydrophobicContact CD2-CB 4.37Å; F465-F474 HydrophobicContact CE2-CB 4.07Å; F465-F474 HydrophobicContact CE2-CG 4.43Å; F474-M479 HydrophobicContact CE1-CE 4.27Å; F474-M479 HydrophobicContact CE1-SD 3.79Å; F474-M479 VanDerWaalsContact CZ-C 3.41Å; F474-M479 VanDerWaalsContact CZ-CA 3.44Å; F474-M479 HydrophobicContact CZ-CB 4.13Å; F474-M479 HydrophobicContact CZ-CE 3.94Å; F474-M479 HydrophobicContact CZ-SD 3.86Å
475D88.8Confident89.4Confident10 Ų1058 Ų585%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-83.9115175.8-174.7-46.9000109.5Y462 Q477 R478 M479 K480Y462-D475 HydrophobicContact CD1-CB 4.18Å; Y462-D475 HydrophobicContact CE1-CB 4.04Å; D475-Q477 VanDerWaalsContact C-N 3.27Å; D475-Q477 PolarHBondContact O-N 2.96Å; D475-Q477 WeakPolarHBondContact OD1-CA 3.27Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.45Å; D475-Q477 PolarHBondContact OD1-N 3.32Å; D475-R478 HydrophobicContact CB-CB 4.19Å; D475-R478 PolarHBondContact OD1-N 2.91Å; D475-M479 WeakPolarHBondContact O-CA 3.19Å; D475-M479 PolarHBondContact O-N 2.97Å; D475-K480 WeakPolarHBondContact CB-O 3.34Å; D475-K480 PolarHBondContact N-O 3.24Å; D475-K480 PolarHBondContact O-N 3.25Å
476N86.9Confident89.2Confident17 Ų1760.8 Ų60.89%0.09132%0.317CS..THydrogen-bonded Turntrans-70.4-23-175.3-66.4-21.2000112.5W408 G460 A461 T463W408-N476 HydrophobicContact CZ2-CB 4.06Å; G460-N476 PolarHBondContact O-ND2 2.84Å; A461-N476 WeakPolarHBondContact O-CB 3.5Å; A461-N476 PolarHBondContact O-N 3.19Å; A461-N476 VanDerWaalsContact O-N 3.08Å; T463-N476 WeakPolarHBondContact CB-OD1 3.49Å; T463-N476 PolarHBondContact N-OD1 2.84Å; T463-N476 PolarHBondContact OG1-ND2 3.13Å; T463-N476 PolarHBondContact OG1-OD1 2.65Å
477Q85.2Confident89.1Confident172 Ų17264.1 Ų64.180%0.80433%0.331SS*.THydrogen-bonded Turntrans-84.4-44.2179-63.9-173.4-8.800111.6D475 M479D475-Q477 VanDerWaalsContact C-N 3.27Å; D475-Q477 PolarHBondContact O-N 2.96Å; D475-Q477 WeakPolarHBondContact OD1-CA 3.27Å; D475-Q477 WeakPolarHBondContact OD1-CB 3.45Å; D475-Q477 PolarHBondContact OD1-N 3.32Å; Q477-M479 VanDerWaalsContact C-N 3.3Å
478R86Confident89Confident175 Ų17562.1 Ų62.166%0.6633%0.327SS*.THydrogen-bonded Turntrans-82.1-12.7-179.5-65.9177173.6168.7-1.1112.9D475 K480 E482D475-R478 HydrophobicContact CB-CB 4.19Å; D475-R478 PolarHBondContact OD1-N 2.91Å; R478-K480 HydrophobicContact CB-CB 4.43Å; R478-K480 PolarHBondContact O-N 2.52Å; R478-E482 IonicContact NH1-OE1 3.87Å
479M86Confident89.1Confident82 Ų8260.6 Ų60.640%0.40431%0.311SS..THydrogen-bonded Turntrans50.542.6-173-68-66.9-66.800111.6W408 F474 D475 Q477W408-M479 HydrophobicContact CH2-SD 4.05Å; F474-M479 HydrophobicContact CE1-CE 4.27Å; F474-M479 HydrophobicContact CE1-SD 3.79Å; F474-M479 VanDerWaalsContact CZ-C 3.41Å; F474-M479 VanDerWaalsContact CZ-CA 3.44Å; F474-M479 HydrophobicContact CZ-CB 4.13Å; F474-M479 HydrophobicContact CZ-CE 3.94Å; F474-M479 HydrophobicContact CZ-SD 3.86Å; D475-M479 WeakPolarHBondContact O-CA 3.19Å; D475-M479 PolarHBondContact O-N 2.97Å; Q477-M479 VanDerWaalsContact C-N 3.3Å
480K87.2Confident89.2Confident133 Ų13358.9 Ų58.958%0.57830%0.298SS*.EExtended strand (participates in β ladder)trans-142.5149.3-178.1-77.2-172.1177.9-176.40110.5D475 R478D475-K480 WeakPolarHBondContact CB-O 3.34Å; D475-K480 PolarHBondContact N-O 3.24Å; D475-K480 PolarHBondContact O-N 3.25Å; R478-K480 HydrophobicContact CB-CB 4.43Å; R478-K480 PolarHBondContact O-N 2.52Å
481S87.3Confident88.9Confident23 Ų2360.4 Ų60.416%0.16130%0.301CS..EExtended strand (participates in β ladder)trans-71.7140.9171.5-66.10000111.6S446 K473S446-S481 WeakPolarHBondContact OG-CB 3.23Å; S446-S481 PolarHBondContact OG-OG 2.95Å; K473-S481 WeakPolarHBondContact O-CA 3.43Å
482E89.5Confident88.6Confident44 Ų4461.6 Ų61.621%0.20631%0.308CS..PPolyproline II helixtrans-68.8141.3178.3-82.2-72.9108.700111Y462 K473 R478 Y485Y462-E482 HydrophobicContact CE1-CG 4.16Å; K473-E482 HydrophobicContact CB-CB 4.41Å; K473-E482 HydrophobicContact CD-CB 4.45Å; K473-E482 HydrophobicContact CD-CG 4.26Å; K473-E482 HydrophobicContact CG-CB 4.43Å; K473-E482 HydrophobicContact CG-CG 4.32Å; K473-E482 PolarHBondContact O-N 3.16Å; R478-E482 IonicContact NH1-OE1 3.87Å; E482-Y485 HydrophobicContact CB-CD2 3.77Å; E482-Y485 HydrophobicContact CB-CE2 3.78Å; E482-Y485 WeakPolarHBondContact O-CD2 3.34Å
483P87Confident88.3Confident111 Ų11161.5 Ų61.572%0.72131%0.308SS*.THydrogen-bonded Turntrans-64.9143.3176.326.6-32.7000111.1
484G84.5Confident88.1Confident61 Ų6160.1 Ų60.163%0.62930%0.303SS*.THydrogen-bonded Turntrans89.113.2179.900000115.3K487G484-K487 VanDerWaalsContact O-CE 3.23Å; G484-K487 WeakPolarHBondContact O-CE 3.45Å; G484-K487 WeakPolarHBondContact O-CG 3.43Å
485Y87.9Confident87.6Confident52 Ų5262.5 Ų62.520%0.20433%0.327CS..  trans-109152.3167.9-67.8-91.1000109.9Y471 K473 E482 K487Y471-Y485 HydrophobicContact CD2-CD1 4.28Å; Y471-Y485 HydrophobicContact CD2-CE1 4.2Å; Y471-Y485 AromaticContact CE2-CD1 3.85Å; Y471-Y485 HydrophobicContact CE2-CD1 3.85Å; Y471-Y485 AromaticContact CE2-CE1 3.35Å; Y471-Y485 HydrophobicContact CE2-CE1 3.35Å; Y471-Y485 AromaticContact CZ-CE1 3.63Å; K473-Y485 HydrophobicContact CB-CD1 3.77Å; K473-Y485 HydrophobicContact CB-CD2 3.85Å; K473-Y485 HydrophobicContact CB-CE1 3.58Å; K473-Y485 HydrophobicContact CB-CE2 3.65Å; K473-Y485 HydrophobicContact CB-CG 3.91Å; K473-Y485 HydrophobicContact CD-CE1 4.37Å; K473-Y485 HydrophobicContact CD-CE2 3.84Å; K473-Y485 WeakPolarHBondContact CD-OH 3.31Å; K473-Y485 HydrophobicContact CG-CE2 4.31Å; E482-Y485 HydrophobicContact CB-CD2 3.77Å; E482-Y485 HydrophobicContact CB-CE2 3.78Å; E482-Y485 WeakPolarHBondContact O-CD2 3.34Å; Y485-K487 HydrophobicContact CD1-CB 4.15Å; Y485-K487 HydrophobicContact CD1-CD 4.12Å; Y485-K487 HydrophobicContact CD1-CG 3.89Å; Y485-K487 HydrophobicContact CE1-CB 4.26Å; Y485-K487 HydrophobicContact CE1-CD 3.68Å; Y485-K487 HydrophobicContact CE1-CG 3.98Å
486P90.7Very high87.4Confident57 Ų5762.2 Ų62.237%0.3733%0.326SS..  cis-76.4150.99.626.3-32.3000115.9K470 Y471 W472K470-P486 HydrophobicContact CB-CB 3.94Å; K470-P486 HydrophobicContact CD-CB 4.09Å; K470-P486 HydrophobicContact CD-CG 3.99Å; K470-P486 HydrophobicContact CG-CB 4.31Å; Y471-P486 CarbonylContact O-C 3.46Å; Y471-P486 WeakPolarHBondContact O-CA 3.28Å; Y471-P486 WeakPolarHBondContact O-CB 3.42Å; W472-P486 HydrophobicContact CD2-CB 3.89Å; W472-P486 HydrophobicContact CE3-CB 4.43Å; W472-P486 HydrophobicContact CG-CB 4.31Å; W472-P486 HydrophobicContact CH2-CB 4.33Å; W472-P486 HydrophobicContact CZ2-CB 3.82Å; W472-P486 HydrophobicContact CZ2-CG 3.92Å
487K91.4Very high86.7Confident71 Ų7169.4 Ų69.431%0.30936%0.364SS..EExtended strand (participates in β ladder)trans-119.3167.8172.5-69.2-175.8-173.91730111.5K470 Y471 G484 Y485 D492K470-K487 CarbonylContact C-O 3.59Å; K470-K487 VanDerWaalsContact CA-O 3.22Å; K470-K487 WeakPolarHBondContact CA-O 3.48Å; Y471-K487 HydrophobicContact CD1-CB 4.16Å; Y471-K487 WeakPolarHBondContact CD1-O 3.44Å; Y471-K487 HydrophobicContact CE1-CB 3.46Å; Y471-K487 VanDerWaalsContact CE1-CB 3.46Å; Y471-K487 PolarHBondContact N-O 3.08Å; Y471-K487 PolarHBondContact O-N 3.32Å; G484-K487 VanDerWaalsContact O-CE 3.23Å; G484-K487 WeakPolarHBondContact O-CE 3.45Å; G484-K487 WeakPolarHBondContact O-CG 3.43Å; Y485-K487 HydrophobicContact CD1-CB 4.15Å; Y485-K487 HydrophobicContact CD1-CD 4.12Å; Y485-K487 HydrophobicContact CD1-CG 3.89Å; Y485-K487 HydrophobicContact CE1-CB 4.26Å; Y485-K487 HydrophobicContact CE1-CD 3.68Å; Y485-K487 HydrophobicContact CE1-CG 3.98Å; K487-D492 WeakPolarHBondContact CD-OD2 3.34Å
488S91.1Very high85.4Confident34 Ų3464.5 Ų64.524%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-77.2121.6179.5176.20000111.3S469 L490 D492S469-S488 WeakPolarHBondContact O-CA 3.45Å; S488-L490 PolarHBondContact O-N 3.06Å; S488-L490 PolarHBondContact OG-N 3.36Å; S488-D492 PolarHBondContact O-N 3.48Å
489I90.8Very high83.4Confident0 Ų064 Ų640%036%0.356CS..Hα-helixtrans-67-30.8176.2-162.9171.1000110.9F310 V313 Y466 S469 Y471 R491 F493 M494F310-I489 HydrophobicContact CE2-CG2 4.19Å; V313-I489 HydrophobicContact CG2-CD1 4.49Å; Y466-I489 HydrophobicContact CD2-CB 4.17Å; Y466-I489 HydrophobicContact CD2-CD1 3.4Å; Y466-I489 VanDerWaalsContact CD2-CD1 3.4Å; Y466-I489 HydrophobicContact CD2-CG1 4.36Å; Y466-I489 HydrophobicContact CD2-CG2 3.94Å; Y466-I489 HydrophobicContact CE2-CB 4.31Å; Y466-I489 HydrophobicContact CE2-CD1 3.97Å; Y466-I489 HydrophobicContact CE2-CG2 3.58Å; Y466-I489 HydrophobicContact CG-CD1 3.83Å; S469-I489 PolarHBondContact O-N 2.8Å; S469-I489 VanDerWaalsContact O-N 3.13Å; Y471-I489 HydrophobicContact CD1-CB 4.06Å; I489-R491 PolarHBondContact O-N 3.04Å; I489-F493 HydrophobicContact CG1-CB 4.04Å; I489-F493 HydrophobicContact CG1-CD2 3.74Å; I489-F493 HydrophobicContact CG1-CG 4.19Å; I489-F493 WeakPolarHBondContact O-CA 3.45Å; I489-F493 WeakPolarHBondContact O-CB 3.35Å; I489-F493 PolarHBondContact O-N 3.47Å; I489-M494 HydrophobicContact CD1-CE 3.95Å; I489-M494 HydrophobicContact CG1-CE 3.92Å; I489-M494 PolarHBondContact O-N 3.22Å; I489-M494 VanDerWaalsContact O-N 3.17Å
490L89.6Confident81.4Confident13 Ų1367.4 Ų67.47%0.06838%0.376CS..Hα-helixtrans-66.4-40.5-177.3-59.9179.3000111.7F310 S488 M494 G495 C496 V498F310-L490 HydrophobicContact CE2-CD2 3.93Å; F310-L490 HydrophobicContact CZ-CD2 3.69Å; S488-L490 PolarHBondContact O-N 3.06Å; S488-L490 PolarHBondContact OG-N 3.36Å; L490-M494 HydrophobicContact CD2-CG 4.08Å; L490-M494 CarbonylContact O-C 3.58Å; L490-M494 WeakPolarHBondContact O-CA 3.38Å; L490-M494 WeakPolarHBondContact O-CB 3.43Å; L490-M494 PolarHBondContact O-N 2.8Å; L490-G495 PolarHBondContact O-N 3.39Å; L490-C496 HydrophobicContact CB-CB 4.21Å; L490-C496 WeakPolarHBondContact O-CB 3.39Å; L490-C496 PolarHBondContact O-N 2.81Å; L490-V498 HydrophobicContact CB-CG2 4.29Å
491R86.9Confident79Confident138 Ų13867.5 Ų67.552%0.52138%0.382SS..Hα-helixtrans-76.4-49179-172.4-171.566.1-156.7-4111.5I489I489-R491 PolarHBondContact O-N 3.04Å
492D86.3Confident76.9Confident35 Ų3571.6 Ų71.619%0.18741%0.408CS..Hα-helixtrans-83.8-28.1-167.5-64.1-1.4000112.6N334 Y471 K487 S488N334-D492 PolarHBondContact ND2-O 3.46Å; N334-D492 PolarHBondContact OD1-O 3.38Å; Y471-D492 HydrophobicContact CE1-CB 3.86Å; Y471-D492 WeakPolarHBondContact CE1-OD2 3.15Å; Y471-D492 PolarHBondContact OH-OD2 3.17Å; K487-D492 WeakPolarHBondContact CD-OD2 3.34Å; S488-D492 PolarHBondContact O-N 3.48Å
493F87.8Confident74.6Confident28 Ų2876 Ų7612%0.12343%0.433CS..THydrogen-bonded Turntrans-114.6-37.4179.4-69.9-88.5000113.9M320 V331 N334 F455 F464 Y471 I489M320-F493 HydrophobicContact CE-CD1 3.39Å; M320-F493 HydrophobicContact CE-CE1 3.69Å; M320-F493 HydrophobicContact CE-CG 4.16Å; M320-F493 HydrophobicContact SD-CB 4.3Å; M320-F493 HydrophobicContact SD-CD1 4.14Å; M320-F493 HydrophobicContact SD-CG 4.49Å; V331-F493 VanDerWaalsContact CG1-O 3.3Å; V331-F493 WeakPolarHBondContact CG1-O 3.43Å; N334-F493 CarbonylContact C-O 3.54Å; N334-F493 WeakPolarHBondContact CA-O 3.24Å; F455-F493 AromaticContact CE2-CE1 3.73Å; F455-F493 HydrophobicContact CE2-CE1 3.73Å; F455-F493 AromaticContact CE2-CZ 3.79Å; F455-F493 HydrophobicContact CE2-CZ 3.79Å; F455-F493 HydrophobicContact CZ-CD1 4.47Å; F455-F493 AromaticContact CZ-CE1 3.9Å; F455-F493 HydrophobicContact CZ-CE1 3.9Å; F455-F493 HydrophobicContact CZ-CE2 4.27Å; F455-F493 AromaticContact CZ-CZ 3.78Å; F455-F493 HydrophobicContact CZ-CZ 3.78Å; F464-F493 HydrophobicContact CD1-CZ 4.2Å; F464-F493 HydrophobicContact CE1-CZ 4.25Å; F464-F493 HydrophobicContact CG-CZ 4.36Å; F464-F493 HydrophobicContact CZ-CZ 4.47Å; Y471-F493 HydrophobicContact CD1-CD2 4.28Å; Y471-F493 HydrophobicContact CD1-CE2 4.06Å; Y471-F493 AromaticContact CD2-CE2 3.81Å; Y471-F493 HydrophobicContact CD2-CE2 3.81Å; Y471-F493 HydrophobicContact CE1-CD2 4.15Å; Y471-F493 AromaticContact CE1-CE2 3.9Å; Y471-F493 HydrophobicContact CE1-CE2 3.9Å; Y471-F493 AromaticContact CE2-CE2 3.61Å; Y471-F493 HydrophobicContact CE2-CE2 3.61Å; Y471-F493 HydrophobicContact CE2-CZ 4.32Å; Y471-F493 HydrophobicContact CG-CE2 4.02Å; Y471-F493 AromaticContact CZ-CE2 3.68Å; I489-F493 HydrophobicContact CG1-CB 4.04Å; I489-F493 HydrophobicContact CG1-CD2 3.74Å; I489-F493 HydrophobicContact CG1-CG 4.19Å; I489-F493 WeakPolarHBondContact O-CA 3.45Å; I489-F493 WeakPolarHBondContact O-CB 3.35Å; I489-F493 PolarHBondContact O-N 3.47Å
494M88.5Confident72.7Confident7 Ų781.9 Ų81.93%0.03444%0.441CS..SBendtrans-89.3-5.9-174.5-48.2-58.1160.300113.7I305 F310 M320 V322 V331 I489 L490 C496I305-M494 HydrophobicContact CD1-CB 4.25Å; I305-M494 HydrophobicContact CD1-CG 4.23Å; I305-M494 HydrophobicContact CD1-SD 3.58Å; I305-M494 VanDerWaalsContact CD1-SD 3.58Å; I305-M494 HydrophobicContact CG1-CB 4.42Å; I305-M494 HydrophobicContact CG1-CG 4.34Å; I305-M494 HydrophobicContact CG1-SD 4.18Å; F310-M494 HydrophobicContact CD2-CE 4.47Å; F310-M494 HydrophobicContact CE2-CE 3.81Å; F310-M494 HydrophobicContact CE2-CG 4.2Å; F310-M494 HydrophobicContact CE2-SD 4.4Å; F310-M494 HydrophobicContact CZ-CE 4.37Å; F310-M494 HydrophobicContact CZ-CG 4.11Å; F310-M494 HydrophobicContact CZ-SD 4.39Å; M320-M494 HydrophobicContact SD-CE 3.93Å; V322-M494 HydrophobicContact CG1-CE 4.4Å; V322-M494 HydrophobicContact CG2-CE 3.53Å; V322-M494 HydrophobicContact CG2-SD 3.91Å; V331-M494 HydrophobicContact CG2-SD 3.95Å; I489-M494 HydrophobicContact CD1-CE 3.95Å; I489-M494 HydrophobicContact CG1-CE 3.92Å; I489-M494 PolarHBondContact O-N 3.22Å; I489-M494 VanDerWaalsContact O-N 3.17Å; L490-M494 HydrophobicContact CD2-CG 4.08Å; L490-M494 CarbonylContact O-C 3.58Å; L490-M494 WeakPolarHBondContact O-CA 3.38Å; L490-M494 WeakPolarHBondContact O-CB 3.43Å; L490-M494 PolarHBondContact O-N 2.8Å; M494-C496 VanDerWaalsContact C-N 3.28Å; M494-C496 PolarHBondContact O-N 2.97Å
495G81.4Confident70.6Confident49 Ų4986 Ų8651%0.50545%0.449SS..  trans7120.317900000114.3L490L490-G495 PolarHBondContact O-N 3.39Å
496C84.4Confident68.4Low4 Ų489.7 Ų89.73%0.02748%0.477CS..  trans-84.2132.8-178.5-58.30000111.7C306 L490 M494 V498C306-C496 WeakPolarHBondContact CA-SG 3.36Å; C306-C496 HydrophobicContact CB-CB 3.84Å; C306-C496 WeakPolarHBondContact CB-SG 3.4Å; C306-C496 WeakPolarHBondContact SG-CB 3.4Å; C306-C496 CovalentContact SG-SG 2.04Å; C306-C496 PolarHBondContact SG-SG 3.31Å; L490-C496 HydrophobicContact CB-CB 4.21Å; L490-C496 WeakPolarHBondContact O-CB 3.39Å; L490-C496 PolarHBondContact O-N 2.81Å; M494-C496 VanDerWaalsContact C-N 3.28Å; M494-C496 PolarHBondContact O-N 2.97Å; C496-V498 HydrophobicContact CB-CG2 3.95Å
497N71.9Confident65.7Low169 Ų16994.3 Ų94.390%0.90450%0.499SS*.  trans-86.4107.1165.4-67.3-29.7000108
498V57.3Low63.3Low69 Ų6997.1 Ų97.142%0.41853%0.527SS..  trans-110.9113.1-178.6-162.70000108.7L490 C496 L500L490-V498 HydrophobicContact CB-CG2 4.29Å; C496-V498 HydrophobicContact CB-CG2 3.95Å; V498-L500 PolarHBondContact O-N 2.95Å
499D43.6Very low60.5Low164 Ų16498.1 Ų98.188%0.87754%0.542SS*.  trans-70.4118.2162.8-70-39.6000107.6D501D499-D501 PolarHBondContact O-N 3.05Å
500L45.1Very low58.3Low154 Ų154110 Ų11081%0.80659%0.587SS**  trans-78106.7-176-67.5166000109.7V498V498-L500 PolarHBondContact O-N 2.95Å
501D36.4Very low55.5Low135 Ų135119.2 Ų119.272%0.72263%0.627SS**  trans-95.5108157.6-155.7-7.8000108.2D499 D503D499-D501 PolarHBondContact O-N 3.05Å; D501-D503 VanDerWaalsContact C-N 3.26Å; D501-D503 PolarHBondContact O-N 3.31Å
502P42.1Very low52.9Low108 Ų108122.9 Ų122.970%0.70164%0.642SS**THydrogen-bonded Turntrans-72.2-8.9-166.7-1630.3000115.6
503D42.8Very low50.6Low138 Ų138126.6 Ų126.674%0.73867%0.668SS**THydrogen-bonded Turntrans-101.28.9-161.6-73.2-22.4000115.5D501D501-D503 VanDerWaalsContact C-N 3.26Å; D501-D503 PolarHBondContact O-N 3.31Å
504R45.7Very low48.2Very low233 Ų233131.6 Ų131.688%0.87970%0.696SS**SBendtrans-91.4-7.4-175.9-138.9177.9176.2-175-1.8116
505D41.8Very low46.1Very low149 Ų149139.1 Ų139.180%0.79774%0.736SS**  trans-10958.5179.2-77.7-23000112
506T40.1Very low44.2Very low128 Ų128143.7 Ų143.779%0.78575%0.749SS**SBendtrans-138.7128.2150.745.60000111.8
507D35.7Very low42Very low155 Ų155154.5 Ų154.583%0.82979%0.789SS**  trans90.4108.6159.8-150.817000119.6
508S41Very low40.5Very low130 Ų130151.7 Ų151.791%0.90978%0.779SS**  trans-93.785.916528.50000108.2
509G30.8Very low39.7Very low54 Ų54154.5 Ų154.556%0.55780%0.799SS**  trans-128.5106.9176.500000112.2K511G509-K511 PolarHBondContact O-N 2.72Å; G509-K511 VanDerWaalsContact O-N 3.17Å
510R44.1Very low39.4Very low251 Ų251155.6 Ų155.695%0.94780%0.797SS**  trans-53.7117.1166.8-80.2175.9172.8166.9-2.3109.8
511K31.4Very low39.1Very low205 Ų205154.6 Ų154.689%0.89179%0.792SS**  trans-119.8117.1160.3-102.9178.1178.4172.60109.5G509G509-K511 PolarHBondContact O-N 2.72Å; G509-K511 VanDerWaalsContact O-N 3.17Å
512Y32.9Very low39.4Very low215 Ų215152.4 Ų152.484%0.84379%0.785SS**PPolyproline II helixtrans-58.7146.1165.4-87-94.2000109.8D514Y512-D514 PolarHBondContact O-N 3.25Å
513P36.8Very low39.5Very low113 Ų113153.8 Ų153.873%0.73479%0.787SS**PPolyproline II helixtrans-68.6124.1173.326.4-30000110.2L515P513-L515 PolarHBondContact O-N 3.38Å
514D39.3Very low39.2Very low133 Ų133152.1 Ų152.171%0.71179%0.792SS**PPolyproline II helixtrans-61.5121.7172-175.3-5.6000110.2Y512 N516Y512-D514 PolarHBondContact O-N 3.25Å; D514-N516 VanDerWaalsContact C-N 3.28Å; D514-N516 PolarHBondContact O-N 2.83Å; D514-N516 PolarHBondContact OD1-N 2.97Å; D514-N516 VanDerWaalsContact OD1-N 3.16Å
515L43.9Very low38.6Very low166 Ų166144.4 Ų144.487%0.86979%0.785SS**SBendtrans-83.87.9-175.6-79.5166.3000113.9P513P513-L515 PolarHBondContact O-N 3.38Å
516N40.8Very low38.1Very low145 Ų145148.5 Ų148.578%0.77579%0.789SS**  trans-121.449.7-176.2-76.4-25.9000114.5D514D514-N516 VanDerWaalsContact C-N 3.28Å; D514-N516 PolarHBondContact O-N 2.83Å; D514-N516 PolarHBondContact OD1-N 2.97Å; D514-N516 VanDerWaalsContact OD1-N 3.16Å
517R37.7Very low37.9Very low231 Ų231149.2 Ų149.287%0.87279%0.788SS**  trans-108.8114.7167.9-149.3174.8-171.6-176.72.2111
518P41.3Very low37.7Very low109 Ų109146.2 Ų146.271%0.70879%0.785SS**PPolyproline II helixtrans-69.9158.3177.127.2-30.8000111.5
519P39.8Very low37.3Very low128 Ų128145.8 Ų145.883%0.83177%0.772SS**PPolyproline II helixtrans-65.3141.4-170.5-15.628.5000112.7N521P519-N521 PolarHBondContact O-N 2.91Å
520F37.2Very low37.3Very low188 Ų188151.9 Ų151.983%0.82578%0.784SS**PPolyproline II helixtrans-52.9119.7171.9-177.2-100.5000111.5P522F520-P522 HydrophobicContact CD1-CB 4.31Å; F520-P522 HydrophobicContact CE1-CB 4.04Å
521N39.9Very low36.6Very low132 Ų132143.5 Ų143.571%0.70678%0.775SS**PPolyproline II helixtrans-91.1118.6172.2-173.422.7000108.9P519 D523P519-N521 PolarHBondContact O-N 2.91Å; N521-D523 PolarHBondContact O-N 3.42Å
522P41.4Very low36.6Very low89 Ų89144 Ų14458%0.57878%0.777SS**  trans-91.718.5-166.736.5-34.7000115F520F520-P522 HydrophobicContact CD1-CB 4.31Å; F520-P522 HydrophobicContact CE1-CB 4.04Å
523D44.4Very low36.4Very low137 Ų137137.1 Ų137.173%0.73377%0.771SS**  trans-139.493.3-179.7-74-51.5000112.3N521N521-D523 PolarHBondContact O-N 3.42Å
524A37.9Very low36Very low104 Ų104143.6 Ų143.686%0.8678%0.781SS**  trans-157.174.6156.800000109.2
525G32.1Very low35.6Very low70 Ų70144.6 Ų144.672%0.72279%0.786SS**  trans-89.3160.4163.300000111.4
526R31.9Very low34.9Very low235 Ų235139.1 Ų139.189%0.88777%0.77SS**  trans72.8136.4165.7-73.6-176.3-157.51666.1114.6
527D34.8Very low34.4Very low143 Ų143138.2 Ų138.277%0.76577%0.77SS**  cis-160.6156.628-95.2-36.1000113.5
528A33.5Very low33.9Very low92 Ų92133.8 Ų133.876%0.7676%0.764SS**  trans23.5139.6140.600000125.2
529D32.1Very low33.4Very low121 Ų121140.3 Ų140.365%0.64777%0.774SS**  107.8126.7125.1-138.323.2000120.9
530K31.4Very low32.9Very low183 Ų183143.8 Ų143.880%0.79678%0.779SS**  trans46.2135.6146.5-83.5168-152.4135.80123
531G28.9Very low32.5Very low74 Ų74137.6 Ų137.676%0.76377%0.769SS**  trans15597.9130.900000118.9
532K30.2Very low32Very low217 Ų217138.1 Ų138.194%0.94378%0.777SS**  trans20.8142.2137.1-84.7179.3171176.90122.6
533G28.6Very low31.5Very low69 Ų69140.9 Ų140.971%0.71179%0.787SS**  trans134.1108.3139.100000113.3
534R29.4Very low30.9Very low249 Ų249139.5 Ų139.594%0.9479%0.788SS**  44.1127.993.6-80-174.8177.2167.4-2.6112.2
535D30.1Very low30.7Very low154 Ų154140.3 Ų140.382%0.82478%0.778SS**  -178.3164.151.3-153.7-3000111.2
536G30.5Very low30.7Very low52 Ų52145.2 Ų145.254%0.53678%0.779SS.*  trans71.4113.2148.600000119.8
537T28.6Very low30.6Very low125 Ų125137.9 Ų137.977%0.76778%0.777SS**  104.1127.459.642.70000113.1
538D28.9Very low30.5Very low138 Ų138141.1 Ų141.174%0.73878%0.784SS**  trans74.6118.3146.2-48.2-21.5000121.1
539R30.8Very low30.5Very low247 Ų247140.5 Ų140.593%0.93279%0.787SS**  -180144.292.9-94.3-179.8178.9145.81.1114
540E27.7Very low30.4Very low200 Ų200140.4 Ų140.494%0.93580%0.795SS**  trans-68.6165-180-66.9166.2120.700116.3
541G29.2Very low30.4Very low58 Ų58139.6 Ų139.660%0.59880%0.8SS**  trans157.291.8148.900000111.7
542T29.2Very low30.6Very low144 Ų144142 Ų14288%0.88380%0.799SS**  59139.495.652.90000114.6
543D32.1Very low31Very low147 Ų147138 Ų13879%0.78679%0.793SS**  cis-175.9169.5-7.7-169.19.7000107.5
544S30.3Very low31.2Very low108 Ų108142.1 Ų142.176%0.75580%0.798SS**  trans82.2149.6156.777.30000121.3
545D34.5Very low31.7Very low120 Ų120140 Ų14064%0.64280%0.795SS**  cis-168.6150.9-30.4-16821.1000107.9
546K32.4Very low32.3Very low173 Ų173139 Ų13975%0.75279%0.794SS**  trans22.8142.7157-81.5176.3-146.2890126
547G28.7Very low33Very low81 Ų81143 Ų14384%0.83580%0.803SS**  trans-161.5124.1143.100000113.8
548K33.3Very low34.1Very low212 Ų212143.4 Ų143.492%0.92280%0.801SS**  trans-79.2160.8-173.9-88.6175.6172.5178.40114.6
549G33.2Very low35.2Very low79 Ų79140.5 Ų140.581%0.81479%0.791SS**  trans-100.6-160.7-176.700000118.1
550S30.9Very low36.3Very low119 Ų119135.8 Ų135.883%0.83278%0.78SS**  trans-166.5125.8167.753.70000112.1
551D31.3Very low37.6Very low165 Ų165132.7 Ų132.788%0.88277%0.766SS**  trans-82.7144.8168.4-89.7-34.6000111.6
552V33.5Very low39Very low124 Ų124139.5 Ų139.575%0.75277%0.773SS**  trans-131.3118.2166.4179.90000109.2
553V36.9Very low40.4Very low135 Ų135136.8 Ų136.882%0.81876%0.756SS**  trans-94.1121.4173.8174.40000108.7
554L34.3Very low41.8Very low154 Ų154135.6 Ų135.681%0.80675%0.748SS**  trans-106.1122.3168.4-77.9165.1000109.4
555K40.2Very low43.5Very low206 Ų206135.2 Ų135.290%0.89674%0.737SS**PPolyproline II helixtrans-83.4125.9170.4-120.6174.7176176.10108
556V42.3Very low45.1Very low132 Ų132134.8 Ų134.880%0.873%0.734SS**PPolyproline II helixtrans-100.7144.3172.9179.40000109
557D44.6Very low47Very low135 Ų135131.1 Ų131.172%0.72272%0.722SS**PPolyproline II helixtrans-88.4122.8-166.4-148.3-11.4000111.3S559D557-S559 PolarHBondContact O-N 2.78Å
558D51.9Low48.9Very low134 Ų134134 Ų13472%0.71772%0.715SS**THydrogen-bonded Turntrans-74.221.8-171.6-77.9-30.1000115.1
559S51.4Low51Low77 Ų77128.2 Ų128.254%0.53870%0.697SS.*THydrogen-bonded Turntrans-88.7-25.2-17367.70000114.5D557 T563D557-S559 PolarHBondContact O-N 2.78Å; S559-T563 PolarHBondContact O-OG1 3.37Å
560E54.8Low53.1Low149 Ų149127.4 Ų127.470%0.69668%0.677SS**Hα-helixtrans-81.5-29.4-177.6-67.9-168.9152.600113.5R562 T563 M564E560-R562 PolarHBondContact O-N 2.61Å; E560-T563 PolarHBondContact O-N 3.48Å; E560-T563 PolarHBondContact O-OG1 2.85Å; E560-M564 PolarHBondContact O-N 2.95Å; E560-M564 VanDerWaalsContact O-N 3.09Å
561E55.6Low55.5Low135 Ų135126.3 Ų126.363%0.63166%0.661SS**Hα-helixtrans-67.3-35.2-179.4-75.9-161.7159.800112.8N565E561-N565 WeakPolarHBondContact O-CB 3.45Å; E561-N565 PolarHBondContact O-N 2.93Å; E561-N565 PolarHBondContact O-ND2 2.78Å
562R57.8Low58.1Low201 Ų201121.6 Ų121.676%0.75864%0.639SS**Hα-helixtrans-67.7-38.3177.9-87.1-175.1177.2-174.50.8112.3E560 I566E560-R562 PolarHBondContact O-N 2.61Å; R562-I566 WeakPolarHBondContact O-CD1 3.31Å; R562-I566 VanDerWaalsContact O-CG1 3.27Å; R562-I566 WeakPolarHBondContact O-CG1 3.3Å; R562-I566 PolarHBondContact O-N 2.94Å
563T58.7Low60.5Low86 Ų86120.9 Ų120.953%0.52863%0.63SS.*Hα-helixtrans-71.1-39.3178.313.70000111.1S559 E560 I566 L567S559-T563 PolarHBondContact O-OG1 3.37Å; E560-T563 PolarHBondContact O-N 3.48Å; E560-T563 PolarHBondContact O-OG1 2.85Å; T563-I566 PolarHBondContact O-N 2.83Å; T563-L567 PolarHBondContact O-N 3.5Å; T563-L567 VanDerWaalsContact O-N 3.14Å
564M61Low62.9Low122 Ų122118.8 Ų118.860%0.60162%0.618SS**Hα-helixtrans-68-39.4177.2-128-160.7-73.100112.7E560 I566 L567 M568E560-M564 PolarHBondContact O-N 2.95Å; E560-M564 VanDerWaalsContact O-N 3.09Å; M564-I566 PolarHBondContact O-N 3.41Å; M564-L567 PolarHBondContact O-N 2.63Å; M564-M568 WeakPolarHBondContact O-CB 3.37Å; M564-M568 WeakPolarHBondContact O-CG 3.22Å; M564-M568 PolarHBondContact O-N 3.24Å
565N65.4Low65.4Low101 Ų101116.3 Ų116.354%0.5461%0.605SS.*Hα-helixtrans-66.5-36.3176.6-78.3-27.8000112.8E561 V569E561-N565 WeakPolarHBondContact O-CB 3.45Å; E561-N565 PolarHBondContact O-N 2.93Å; E561-N565 PolarHBondContact O-ND2 2.78Å; N565-V569 WeakPolarHBondContact O-CG2 3.32Å; N565-V569 PolarHBondContact O-N 2.65Å
566I69.6Low67.9Low111 Ų111110.3 Ų110.357%0.56959%0.585SS**Hα-helixtrans-66.9-41.3174.8-68.6167.5000110.7R562 T563 M564 V569 T570R562-I566 WeakPolarHBondContact O-CD1 3.31Å; R562-I566 VanDerWaalsContact O-CG1 3.27Å; R562-I566 WeakPolarHBondContact O-CG1 3.3Å; R562-I566 PolarHBondContact O-N 2.94Å; T563-I566 PolarHBondContact O-N 2.83Å; M564-I566 PolarHBondContact O-N 3.41Å; I566-V569 PolarHBondContact O-N 3.2Å; I566-T570 HydrophobicContact CG2-CG2 4.11Å; I566-T570 WeakPolarHBondContact O-CB 3.46Å; I566-T570 VanDerWaalsContact O-CG2 3.24Å; I566-T570 WeakPolarHBondContact O-CG2 3.4Å; I566-T570 PolarHBondContact O-N 3.49Å; I566-T570 PolarHBondContact O-OG1 3.1Å
567L70.6Confident70.1Confident95 Ų95110 Ų11050%0.49758%0.577SS.*Hα-helixtrans-64.9-42.7176-78.5163.2000112.3T563 M564 V569 T570 I571T563-L567 PolarHBondContact O-N 3.5Å; T563-L567 VanDerWaalsContact O-N 3.14Å; M564-L567 PolarHBondContact O-N 2.63Å; L567-V569 PolarHBondContact O-N 3.08Å; L567-T570 PolarHBondContact O-N 2.87Å; L567-T570 PolarHBondContact O-OG1 3.44Å; L567-I571 HydrophobicContact CB-CD1 4.37Å; L567-I571 HydrophobicContact CD2-CD1 4.08Å; L567-I571 WeakPolarHBondContact O-CB 3.22Å; L567-I571 WeakPolarHBondContact O-CG1 3.42Å; L567-I571 PolarHBondContact O-N 2.71Å; L567-I571 VanDerWaalsContact O-N 3.1Å
568M68.6Low72.1Confident142 Ų142107 Ų10770%0.757%0.566SS**Hα-helixtrans-60.5-28.6177-86.7-105.2138.100113.5M564 P572M564-M568 WeakPolarHBondContact O-CB 3.37Å; M564-M568 WeakPolarHBondContact O-CG 3.22Å; M564-M568 PolarHBondContact O-N 3.24Å; M568-P572 WeakPolarHBondContact O-CD 3.39Å; M568-P572 WeakPolarHBondContact O-CG 3.22Å
569V78.4Confident74Confident90 Ų90105.1 Ų105.155%0.54555%0.554SS.*Hα-helixtrans-93.4-37179.41770000112N565 I566 L567 L573N565-V569 WeakPolarHBondContact O-CG2 3.32Å; N565-V569 PolarHBondContact O-N 2.65Å; I566-V569 PolarHBondContact O-N 3.2Å; L567-V569 PolarHBondContact O-N 3.08Å; V569-L573 HydrophobicContact CG1-CD1 3.94Å; V569-L573 WeakPolarHBondContact O-CD1 3.48Å; V569-L573 PolarHBondContact O-N 3.27Å
570T77.4Confident75.8Confident63 Ų63106.1 Ų106.139%0.38755%0.553SS.*Hα-helixtrans-75.5-38.8-175.451.60000113.1I566 L567 L573 V574I566-T570 HydrophobicContact CG2-CG2 4.11Å; I566-T570 WeakPolarHBondContact O-CB 3.46Å; I566-T570 VanDerWaalsContact O-CG2 3.24Å; I566-T570 WeakPolarHBondContact O-CG2 3.4Å; I566-T570 PolarHBondContact O-N 3.49Å; I566-T570 PolarHBondContact O-OG1 3.1Å; L567-T570 PolarHBondContact O-N 2.87Å; L567-T570 PolarHBondContact O-OG1 3.44Å; T570-L573 PolarHBondContact O-N 2.86Å; T570-V574 WeakPolarHBondContact O-CG2 3.03Å; T570-V574 PolarHBondContact O-N 2.97Å
571I82Confident77.6Confident95 Ų95100.9 Ų100.949%0.48754%0.539SS..Hα-helixtrans-64.5-46.7-178.6-65.7170.4000112.1L567 L573 V574 L575L567-I571 HydrophobicContact CB-CD1 4.37Å; L567-I571 HydrophobicContact CD2-CD1 4.08Å; L567-I571 WeakPolarHBondContact O-CB 3.22Å; L567-I571 WeakPolarHBondContact O-CG1 3.42Å; L567-I571 PolarHBondContact O-N 2.71Å; L567-I571 VanDerWaalsContact O-N 3.1Å; I571-L573 PolarHBondContact O-N 3.44Å; I571-V574 PolarHBondContact O-N 3.38Å; I571-L575 HydrophobicContact CG2-CD1 4.16Å; I571-L575 PolarHBondContact O-N 2.69Å
572P84.2Confident79.2Confident66 Ų6699.8 Ų99.843%0.42954%0.537SS..Hα-helixtrans-64.6-37.7176.3-22.234000112.9M568 V574 L575 V576M568-P572 WeakPolarHBondContact O-CD 3.39Å; M568-P572 WeakPolarHBondContact O-CG 3.22Å; P572-V574 VanDerWaalsContact C-N 3.35Å; P572-V574 PolarHBondContact O-N 3.24Å; P572-L575 PolarHBondContact O-N 3.34Å; P572-V576 VanDerWaalsContact O-CG2 3.3Å; P572-V576 WeakPolarHBondContact O-CG2 3.21Å; P572-V576 PolarHBondContact O-N 3.34Å
573L84.1Confident80.7Confident109 Ų10994.1 Ų94.157%0.57152%0.521SS*.Hα-helixtrans-62.6-41.4177.2-87.8165000111.9V569 T570 I571 V576 M577V569-L573 HydrophobicContact CG1-CD1 3.94Å; V569-L573 WeakPolarHBondContact O-CD1 3.48Å; V569-L573 PolarHBondContact O-N 3.27Å; T570-L573 PolarHBondContact O-N 2.86Å; I571-L573 PolarHBondContact O-N 3.44Å; L573-V576 PolarHBondContact O-N 3.18Å; L573-M577 WeakPolarHBondContact O-CG 3.34Å; L573-M577 PolarHBondContact O-N 3.33Å; L573-M577 VanDerWaalsContact O-N 3.09Å
574V89Confident82.2Confident92 Ų9297.8 Ų97.856%0.55853%0.526SS*.Hα-helixtrans-66.2-42.4175.8173.50000111T570 I571 P572 V576 M577 C578T570-V574 WeakPolarHBondContact O-CG2 3.03Å; T570-V574 PolarHBondContact O-N 2.97Å; I571-V574 PolarHBondContact O-N 3.38Å; P572-V574 VanDerWaalsContact C-N 3.35Å; P572-V574 PolarHBondContact O-N 3.24Å; V574-V576 PolarHBondContact O-N 2.72Å; V574-M577 PolarHBondContact O-N 2.92Å; V574-C578 PolarHBondContact O-N 2.95Å; V574-C578 PolarHBondContact O-SG 3.26Å; V574-C578 VanDerWaalsContact O-SG 3.36Å
575L86.5Confident83.4Confident102 Ų10294.3 Ų94.353%0.53452%0.517SS..Hα-helixtrans-61.2-43176.3-82.4165.9000112.5I571 P572 M577 C578 I579I571-L575 HydrophobicContact CG2-CD1 4.16Å; I571-L575 PolarHBondContact O-N 2.69Å; P572-L575 PolarHBondContact O-N 3.34Å; L575-M577 VanDerWaalsContact C-N 3.32Å; L575-M577 PolarHBondContact O-N 3.12Å; L575-C578 PolarHBondContact O-N 2.83Å; L575-I579 VanDerWaalsContact O-CG1 3.3Å; L575-I579 WeakPolarHBondContact O-CG1 3.39Å; L575-I579 PolarHBondContact O-N 3.22Å
576V91.1Very high84.2Confident79 Ų7994 Ų9448%0.47951%0.514SS..Hα-helixtrans-61.6-41.9175.8170.60000110.8P572 L573 V574 C578 I579 L580P572-V576 VanDerWaalsContact O-CG2 3.3Å; P572-V576 WeakPolarHBondContact O-CG2 3.21Å; P572-V576 PolarHBondContact O-N 3.34Å; L573-V576 PolarHBondContact O-N 3.18Å; V574-V576 PolarHBondContact O-N 2.72Å; V576-C578 PolarHBondContact O-N 2.82Å; V576-I579 PolarHBondContact O-N 2.98Å; V576-L580 HydrophobicContact CG1-CD1 4.11Å; V576-L580 HydrophobicContact CG1-CG 4.49Å; V576-L580 WeakPolarHBondContact O-CG 3.49Å; V576-L580 PolarHBondContact O-N 3.47Å
577M89.6Confident84.8Confident127 Ų12792.6 Ų92.663%0.62651%0.507SS*.Hα-helixtrans-64.6-37.7176.1-71.1-60.8-65.200112.7L573 V574 L575 L580 G581L573-M577 WeakPolarHBondContact O-CG 3.34Å; L573-M577 PolarHBondContact O-N 3.33Å; L573-M577 VanDerWaalsContact O-N 3.09Å; V574-M577 PolarHBondContact O-N 2.92Å; L575-M577 VanDerWaalsContact C-N 3.32Å; L575-M577 PolarHBondContact O-N 3.12Å; M577-L580 PolarHBondContact O-N 2.92Å; M577-L580 HydrophobicContact SD-CD1 4.36Å; M577-G581 PolarHBondContact O-N 3.37Å
578C86.8Confident85.2Confident72 Ų7292 Ų9249%0.48650%0.504SS..Hα-helixtrans-65-41.3174.1-700000112.2V574 L575 V576 G581 L582V574-C578 PolarHBondContact O-N 2.95Å; V574-C578 PolarHBondContact O-SG 3.26Å; V574-C578 VanDerWaalsContact O-SG 3.36Å; L575-C578 PolarHBondContact O-N 2.83Å; V576-C578 PolarHBondContact O-N 2.82Å; C578-G581 PolarHBondContact O-N 3.13Å; C578-L582 PolarHBondContact O-N 2.87Å
579I91.2Very high85.5Confident94 Ų9489 Ų8948%0.48249%0.494SS..Hα-helixtrans-64.5-44.1177-67.8165.1000110.5L575 V576 G581 L582 I583L575-I579 VanDerWaalsContact O-CG1 3.3Å; L575-I579 WeakPolarHBondContact O-CG1 3.39Å; L575-I579 PolarHBondContact O-N 3.22Å; V576-I579 PolarHBondContact O-N 2.98Å; I579-G581 PolarHBondContact O-N 3.29Å; I579-G581 VanDerWaalsContact C-N 3.3Å; I579-L582 PolarHBondContact O-N 2.89Å; I579-I583 HydrophobicContact CG2-CD1 3.84Å; I579-I583 HydrophobicContact CG2-CG1 4.45Å; I579-I583 VanDerWaalsContact O-CG1 3.32Å; I579-I583 WeakPolarHBondContact O-CG1 3.47Å; I579-I583 PolarHBondContact O-N 3.32Å
580L90.4Very high85.1Confident97 Ų9790.7 Ų90.751%0.50850%0.499SS..Hα-helixtrans-62.3-38175.7-70.2172.7000112V576 M577 I583 Y584V576-L580 HydrophobicContact CG1-CD1 4.11Å; V576-L580 HydrophobicContact CG1-CG 4.49Å; V576-L580 WeakPolarHBondContact O-CG 3.49Å; V576-L580 PolarHBondContact O-N 3.47Å; M577-L580 PolarHBondContact O-N 2.92Å; M577-L580 HydrophobicContact SD-CD1 4.36Å; L580-I583 PolarHBondContact O-N 3.14Å; L580-Y584 WeakPolarHBondContact O-CB 3.4Å; L580-Y584 PolarHBondContact O-N 3.46Å
581G91.4Very high84.7Confident39 Ų3994.9 Ų94.940%0.40252%0.515SS..Hα-helixtrans-62.9-42.1173.200000113.2M577 C578 I579 Y584 A585M577-G581 PolarHBondContact O-N 3.37Å; C578-G581 PolarHBondContact O-N 3.13Å; I579-G581 PolarHBondContact O-N 3.29Å; I579-G581 VanDerWaalsContact C-N 3.3Å; G581-Y584 PolarHBondContact O-N 2.87Å; G581-A585 WeakPolarHBondContact O-CB 3.44Å; G581-A585 PolarHBondContact O-N 2.99Å
582L89.2Confident83.6Confident113 Ų11394.6 Ų94.659%0.59252%0.521SS*.Hα-helixtrans-64.9-43.8175.2-79166.7000111.8C578 I579 Y584 A585 I586C578-L582 PolarHBondContact O-N 2.87Å; I579-L582 PolarHBondContact O-N 2.89Å; L582-Y584 VanDerWaalsContact C-N 3.33Å; L582-Y584 PolarHBondContact O-N 2.91Å; L582-A585 PolarHBondContact O-N 3.49Å; L582-I586 WeakPolarHBondContact O-CB 3.23Å; L582-I586 VanDerWaalsContact O-CG1 3.23Å; L582-I586 WeakPolarHBondContact O-CG1 3.46Å; L582-I586 PolarHBondContact O-N 2.72Å
583I89.8Confident82.2Confident81 Ų8199.8 Ų99.842%0.41554%0.537SS..Hα-helixtrans-61.5-44.3176.5-68.2167.7000110.3I579 L580 A585 I586 I587I579-I583 HydrophobicContact CG2-CD1 3.84Å; I579-I583 HydrophobicContact CG2-CG1 4.45Å; I579-I583 VanDerWaalsContact O-CG1 3.32Å; I579-I583 WeakPolarHBondContact O-CG1 3.47Å; I579-I583 PolarHBondContact O-N 3.32Å; L580-I583 PolarHBondContact O-N 3.14Å; I583-A585 PolarHBondContact O-N 3.17Å; I583-I586 PolarHBondContact O-N 3.33Å; I583-I587 WeakPolarHBondContact O-CG1 3.4Å; I583-I587 PolarHBondContact O-N 2.85Å; I583-I587 VanDerWaalsContact O-CG1 3.3Å; I583-I587 HydrophobicContact CG2-CG1 4.44Å; I583-I587 HydrophobicContact CG2-CD1 3.77Å
584Y90Very high80.7Confident164 Ų16498 Ų9864%0.64354%0.544SS*.Hα-helixtrans-60.8-44.4176.1179.7-98.2000112L580 G581 L582 I586 I587 N588L580-Y584 WeakPolarHBondContact O-CB 3.4Å; L580-Y584 PolarHBondContact O-N 3.46Å; G581-Y584 PolarHBondContact O-N 2.87Å; L582-Y584 VanDerWaalsContact C-N 3.33Å; L582-Y584 PolarHBondContact O-N 2.91Å; Y584-I586 PolarHBondContact O-N 3.22Å; Y584-I587 PolarHBondContact O-N 3.21Å; Y584-N588 WeakPolarHBondContact O-CB 2.97Å; Y584-N588 PolarHBondContact O-N 2.95Å
585A85.6Confident78.8Confident49 Ų4999.9 Ų99.941%0.40556%0.556SS.*Hα-helixtrans-60.9-44.1176.300000111.7G581 L582 I583 N588 T589G581-A585 WeakPolarHBondContact O-CB 3.44Å; G581-A585 PolarHBondContact O-N 2.99Å; L582-A585 PolarHBondContact O-N 3.49Å; I583-A585 PolarHBondContact O-N 3.17Å; A585-N588 PolarHBondContact O-N 3.44Å; A585-T589 PolarHBondContact O-N 2.68Å; A585-T589 PolarHBondContact O-OG1 3.09Å
586I83.4Confident76.8Confident93 Ų93100.9 Ų100.948%0.47757%0.569SS.*Hα-helixtrans-60.9-49.1177.8-70.1165000110.7L582 I583 Y584 N588 T589 L590L582-I586 WeakPolarHBondContact O-CB 3.23Å; L582-I586 VanDerWaalsContact O-CG1 3.23Å; L582-I586 WeakPolarHBondContact O-CG1 3.46Å; L582-I586 PolarHBondContact O-N 2.72Å; I583-I586 PolarHBondContact O-N 3.33Å; Y584-I586 PolarHBondContact O-N 3.22Å; I586-N588 VanDerWaalsContact C-N 3.3Å; I586-N588 PolarHBondContact O-N 3.18Å; I586-T589 VanDerWaalsContact CA-OG1 3.28Å; I586-T589 PolarHBondContact O-OG1 3.18Å; I586-T589 WeakPolarHBondContact CA-OG1 3.21Å; I586-T589 PolarHBondContact O-N 3.02Å; I586-L590 HydrophobicContact CG2-CD1 3.84Å; I586-L590 HydrophobicContact CG2-CG 4.46Å; I586-L590 WeakPolarHBondContact O-CG 3.47Å; I586-L590 PolarHBondContact O-N 2.98Å
587I82Confident74.6Confident83 Ų83108.7 Ų108.743%0.42659%0.59SS.*Hα-helixtrans-59.9-42.6178.8-68168.8000110.6I583 Y584 L590 Q591I583-I587 WeakPolarHBondContact O-CG1 3.4Å; I583-I587 PolarHBondContact O-N 2.85Å; I583-I587 VanDerWaalsContact O-CG1 3.3Å; I583-I587 HydrophobicContact CG2-CG1 4.44Å; I583-I587 HydrophobicContact CG2-CD1 3.77Å; Y584-I587 PolarHBondContact O-N 3.21Å; I587-L590 PolarHBondContact O-N 3.38Å; I587-Q591 WeakPolarHBondContact O-CG 3.45Å; I587-Q591 PolarHBondContact O-N 3.43Å
588N78.3Confident72.2Confident83 Ų83110.4 Ų110.444%0.44460%0.601SS.*Hα-helixtrans-69.5-34.9179.8-156.125.9000112.4Y584 A585 I586 L590 S592Y584-N588 WeakPolarHBondContact O-CB 2.97Å; Y584-N588 PolarHBondContact O-N 2.95Å; A585-N588 PolarHBondContact O-N 3.44Å; I586-N588 VanDerWaalsContact C-N 3.3Å; I586-N588 PolarHBondContact O-N 3.18Å; N588-L590 VanDerWaalsContact C-N 3.34Å; N588-S592 PolarHBondContact O-N 3.22Å; N588-S592 PolarHBondContact O-OG 3.27Å; N588-S592 VanDerWaalsContact O-N 3.14Å; N588-S592 WeakPolarHBondContact O-CB 3.27Å
589T75Confident69.9Low79 Ų79115 Ų11549%0.48562%0.619SS.*Hα-helixtrans-69.2-28.9171.639.60000113.8A585 I586 S592A585-T589 PolarHBondContact O-N 2.68Å; A585-T589 PolarHBondContact O-OG1 3.09Å; I586-T589 VanDerWaalsContact CA-OG1 3.28Å; I586-T589 PolarHBondContact O-OG1 3.18Å; I586-T589 WeakPolarHBondContact CA-OG1 3.21Å; I586-T589 PolarHBondContact O-N 3.02Å; T589-S592 WeakPolarHBondContact CA-OG 3.35Å; T589-S592 PolarHBondContact O-OG 2.53Å
590L70.1Confident67.3Low124 Ų124116.3 Ų116.365%0.64963%0.632SS**Hα-helixtrans-78.9-33.9176-69.9171.1000111.9I586 I587 N588I586-L590 HydrophobicContact CG2-CD1 3.84Å; I586-L590 HydrophobicContact CG2-CG 4.46Å; I586-L590 WeakPolarHBondContact O-CG 3.47Å; I586-L590 PolarHBondContact O-N 2.98Å; I587-L590 PolarHBondContact O-N 3.38Å; N588-L590 VanDerWaalsContact C-N 3.34Å
591Q68.6Low64.6Low152 Ų152119.8 Ų119.871%0.7165%0.645SS**Hα-helixtrans-74.1-24.6175.4-72.6-178.4-19.500113.5I587I587-Q591 WeakPolarHBondContact O-CG 3.45Å; I587-Q591 PolarHBondContact O-N 3.43Å
592S60.1Low61.9Low89 Ų89123.2 Ų123.262%0.62266%0.662SS**THydrogen-bonded Turntrans-84.9-8.7178.852.50000114.7N588 T589 G594N588-S592 PolarHBondContact O-N 3.22Å; N588-S592 PolarHBondContact O-OG 3.27Å; N588-S592 VanDerWaalsContact O-N 3.14Å; N588-S592 WeakPolarHBondContact O-CB 3.27Å; T589-S592 WeakPolarHBondContact CA-OG 3.35Å; T589-S592 PolarHBondContact O-OG 2.53Å; S592-G594 PolarHBondContact O-N 3.44Å
593K53.7Low59.4Low174 Ų174127.3 Ų127.376%0.75768%0.675SS**SBendtrans-97.785.6173.8-71.4-173.9178.5-178.60110.5
594G52.1Low56.7Low71 Ų71134.2 Ų134.273%0.73270%0.695SS**PPolyproline II helixtrans-56.8145.7168.400000112.3S592S592-G594 PolarHBondContact O-N 3.44Å
595T50.2Low54Low132 Ų132130.9 Ų130.981%0.8170%0.696SS**PPolyproline II helixtrans-54.1133.5-177.1410000113.3R597T595-R597 PolarHBondContact O-N 3.16Å
596P44.7Very low51.8Low123 Ų123137 Ų13780%0.79972%0.721SS**PPolyproline II helixtrans-73123.4170.627.6-29.7000109.9L598P596-L598 PolarHBondContact O-N 3.42Å
597R45Very low49.6Very low244 Ų244140.2 Ų140.292%0.92173%0.734SS**PPolyproline II helixtrans-66.2118.5170.9-74-176.7168.6166.4-2.5109.4T595 L599T595-R597 PolarHBondContact O-N 3.16Å; R597-L599 PolarHBondContact O-N 3.32Å
598L39.5Very low47.4Very low162 Ų162142.6 Ų142.685%0.84875%0.748SS**  trans-67.9114.5168.9-126.6101.2000109.1P596 V600P596-L598 PolarHBondContact O-N 3.42Å; L598-V600 PolarHBondContact O-N 3.34Å
599L36.9Very low45.3Very low168 Ų168149.9 Ų149.988%0.8877%0.769SS**  trans-72.6102.2166.4-91.1158.9000108.7R597 H601R597-L599 PolarHBondContact O-N 3.32Å; L599-H601 PolarHBondContact O-N 3.39Å
600V38Very low43.5Very low123 Ų123156 Ų15675%0.74581%0.806SS**  trans-77.497.8168.1-178.30000107.8L598 C602L598-V600 PolarHBondContact O-N 3.34Å; V600-C602 PolarHBondContact O-N 2.96Å
601H33.1Very low42.1Very low169 Ų169157.6 Ų157.678%0.78281%0.814SS**  trans-89.191.9167.5-147.2-42.9000109L599L599-H601 PolarHBondContact O-N 3.39Å
602C35.7Very low40.7Very low112 Ų112157.8 Ų157.876%0.75782%0.819SS**  trans-83.3115.6165.1-159.10000107.2V600V600-C602 PolarHBondContact O-N 2.96Å
603K34.8Very low39.7Very low199 Ų199161.7 Ų161.787%0.86583%0.83SS**  trans-114.2115.5166.3-150.9179-176.3-177.80108.4
604R34.6Very low38.8Very low225 Ų225160.9 Ų160.985%0.84983%0.834SS**  trans-85.7144.8-168.9-158.8176.6172.9-174.4-3.3110.3
605S33.7Very low38Very low94 Ų94166.6 Ų166.666%0.65784%0.841SS**  trans39.4115.6143-170.90000119.4
606L38.8Very low37.2Very low178 Ų178168.9 Ų168.993%0.93284%0.843SS**  trans-82.8100158.8-117147.6000108
607Q35.8Very low36.6Very low161 Ų161172.1 Ų172.175%0.75285%0.846SS**  trans-167.5107.8158-109.5160.2-0.200109
608D36.5Very low36Very low133 Ų133166.6 Ų166.671%0.71184%0.84SS**  trans132.3115.5138.2-68.1-21.6000117
609W34.3Very low35.7Very low236 Ų236167 Ų16789%0.89484%0.839SS**  trans41.5118.4134.7-63.773.1000117.1
610V36.4Very low35.6Very low206 Ų206166.9 Ų166.9100%1.24884%0.836SS**  -161.3058161.20000109.3

Retrieved 610 of 610 residues in 591.9 ms (Link to these results)

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