A0A5K4EBP5_SCHMA Loading...

Phospholipase A protein

AlphaFold DB , UniProt , Accession A0A5K4EBP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 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
1M54Low80.3Confident178 Ų17886.8 Ų86.888%0.87740%0.403SS*.  01270-165.3176.8-114.900107.6I3 Y169M1-I3 PolarHBondContact O-N 3.37Å; M1-I3 VanDerWaalsContact O-N 3.12Å; M1-Y169 HydrophobicContact CE-CD2 4.41Å; M1-Y169 HydrophobicContact CE-CE1 4.32Å; M1-Y169 HydrophobicContact CE-CE2 3.94Å; M1-Y169 HydrophobicContact CG-CE2 3.85Å; M1-Y169 VanDerWaalsContact CG-OH 3.28Å; M1-Y169 WeakPolarHBondContact CG-OH 3.45Å; M1-Y169 HydrophobicContact SD-CE2 4.01Å
2M66.2Low81.4Confident96 Ų9679.6 Ų79.647%0.47337%0.37SS..  trans-73101.3177.5-82.2-168.8-7300109L7 I167M2-L7 HydrophobicContact CB-CD1 3.84Å; M2-L7 HydrophobicContact CG-CD1 4.01Å; M2-L7 HydrophobicContact SD-CD1 4.14Å; M2-I167 HydrophobicContact CE-CD1 3.43Å; M2-I167 VanDerWaalsContact CE-CD1 3.43Å; M2-I167 HydrophobicContact CE-CG1 4.46Å
3I77.9Confident82.5Confident54 Ų5473.9 Ų73.928%0.27734%0.344SS..  trans-92.4112.9176.1-62.1176000106.7M1 E5 K6 L7M1-I3 PolarHBondContact O-N 3.37Å; M1-I3 VanDerWaalsContact O-N 3.12Å; I3-E5 HydrophobicContact CG2-CB 4.47Å; I3-E5 WeakPolarHBondContact CG2-OE2 3.34Å; I3-E5 PolarHBondContact O-N 3.28Å; I3-K6 HydrophobicContact CB-CB 4.17Å; I3-K6 HydrophobicContact CB-CD 4.39Å; I3-K6 HydrophobicContact CB-CG 4.19Å; I3-K6 HydrophobicContact CD1-CD 4.18Å; I3-K6 HydrophobicContact CG2-CB 4.37Å; I3-K6 HydrophobicContact CG2-CG 4.08Å; I3-K6 PolarHBondContact O-N 3.19Å; I3-L7 PolarHBondContact O-N 3.21Å
4P76.2Confident83.3Confident2 Ų279.2 Ų79.21%0.01336%0.359CS..Hα-helixtrans-55.1-38-173.2-24.532.2000113.5L7 Q8 R170 S174 F175P4-L7 PolarHBondContact O-N 3.28Å; P4-Q8 WeakPolarHBondContact O-CB 3.47Å; P4-Q8 PolarHBondContact O-N 3.2Å; P4-R170 HydrophobicContact CG-CG 4.14Å; P4-S174 VanDerWaalsContact CB-O 3.29Å; P4-S174 WeakPolarHBondContact CB-O 2.95Å; P4-S174 WeakPolarHBondContact CG-OG 3.5Å; P4-F175 HydrophobicContact CB-CD1 4.36Å; P4-F175 HydrophobicContact CB-CE1 4.35Å; P4-F175 HydrophobicContact CB-CZ 4.49Å; P4-F175 HydrophobicContact CG-CD1 4.4Å; P4-F175 HydrophobicContact CG-CD2 4.17Å; P4-F175 HydrophobicContact CG-CE1 4.03Å; P4-F175 HydrophobicContact CG-CE2 3.78Å; P4-F175 HydrophobicContact CG-CG 4.47Å; P4-F175 HydrophobicContact CG-CZ 3.71Å
5E81.3Confident84.2Confident117 Ų11776.6 Ų76.655%0.54735%0.347SS..Hα-helixtrans-66.6-40.2-180-57.575.6-163.200111.3I3 H9I3-E5 HydrophobicContact CG2-CB 4.47Å; I3-E5 WeakPolarHBondContact CG2-OE2 3.34Å; I3-E5 PolarHBondContact O-N 3.28Å; E5-H9 WeakPolarHBondContact O-CB 3.14Å; E5-H9 PolarHBondContact O-N 2.95Å
6K85.4Confident84.9Confident127 Ų12774.1 Ų74.155%0.55234%0.337SS*.Hα-helixtrans-69.6-40.6173.8-69-168177.4-175.30111.3I3 Q8 H9 Y10I3-K6 HydrophobicContact CB-CB 4.17Å; I3-K6 HydrophobicContact CB-CD 4.39Å; I3-K6 HydrophobicContact CB-CG 4.19Å; I3-K6 HydrophobicContact CD1-CD 4.18Å; I3-K6 HydrophobicContact CG2-CB 4.37Å; I3-K6 HydrophobicContact CG2-CG 4.08Å; I3-K6 PolarHBondContact O-N 3.19Å; K6-Q8 VanDerWaalsContact C-N 3.33Å; K6-H9 PolarHBondContact O-N 2.95Å; K6-Y10 HydrophobicContact CB-CD2 4.32Å; K6-Y10 HydrophobicContact CB-CE2 4.4Å; K6-Y10 WeakPolarHBondContact O-CD2 3.24Å; K6-Y10 PolarHBondContact O-N 2.86Å
7L84.6Confident85.4Confident44 Ų4476.9 Ų76.923%0.2336%0.364CS..Hα-helixtrans-60-45.9175.5-74.7174.6000110.6M2 I3 P4 H9 F11 G12 F175 I178M2-L7 HydrophobicContact CB-CD1 3.84Å; M2-L7 HydrophobicContact CG-CD1 4.01Å; M2-L7 HydrophobicContact SD-CD1 4.14Å; I3-L7 PolarHBondContact O-N 3.21Å; P4-L7 PolarHBondContact O-N 3.28Å; L7-H9 VanDerWaalsContact C-N 3.3Å; L7-H9 PolarHBondContact O-N 3.37Å; L7-F11 CarbonylContact O-C 3.25Å; L7-F11 VanDerWaalsContact O-CA 3.24Å; L7-F11 WeakPolarHBondContact O-CA 3.45Å; L7-F11 WeakPolarHBondContact O-CB 3.49Å; L7-F11 PolarHBondContact O-N 3.05Å; L7-G12 PolarHBondContact O-N 2.87Å; L7-G12 VanDerWaalsContact O-N 3.12Å; L7-F175 HydrophobicContact CD1-CE1 3.93Å; L7-I178 HydrophobicContact CB-CD1 3.68Å
8Q87.5Confident85.9Confident58 Ų5879.6 Ų79.627%0.27139%0.387SS..Hα-helixtrans-59.1-43.4175.3178.558.532.700111.7P4 K6 G12 P177 I178P4-Q8 WeakPolarHBondContact O-CB 3.47Å; P4-Q8 PolarHBondContact O-N 3.2Å; K6-Q8 VanDerWaalsContact C-N 3.33Å; Q8-G12 WeakPolarHBondContact O-CA 3.49Å; Q8-G12 PolarHBondContact O-N 3.4Å; Q8-G12 VanDerWaalsContact O-N 3.13Å; Q8-P177 HydrophobicContact CG-CB 4.43Å; Q8-P177 PolarHBondContact OE1-O 3.26Å; Q8-I178 VanDerWaalsContact OE1-CB 3.24Å
9H90.1Very high86.5Confident105 Ų10578.6 Ų78.649%0.48639%0.386SS..Hα-helixtrans-65.6-46.4-177.1-176.769.2000113.3E5 K6 L7 T25E5-H9 WeakPolarHBondContact O-CB 3.14Å; E5-H9 PolarHBondContact O-N 2.95Å; K6-H9 PolarHBondContact O-N 2.95Å; L7-H9 VanDerWaalsContact C-N 3.3Å; L7-H9 PolarHBondContact O-N 3.37Å; H9-T25 PolarHBondContact O-OG1 2.81Å
10Y90.4Very high87Confident118 Ų11876.4 Ų76.446%0.46338%0.375SS..Hα-helixtrans-93.6-29.5-175.4-65.3-66.3000114.2K6 A27 C28K6-Y10 HydrophobicContact CB-CD2 4.32Å; K6-Y10 HydrophobicContact CB-CE2 4.4Å; K6-Y10 WeakPolarHBondContact O-CD2 3.24Å; K6-Y10 PolarHBondContact O-N 2.86Å; Y10-A27 HydrophobicContact CD1-CB 4.17Å; Y10-A27 HydrophobicContact CE1-CB 4.49Å; Y10-C28 HydrophobicContact CD1-CB 4.42Å; Y10-C28 PolarHBondContact O-SG 3.31Å
11F90.1Very high87.4Confident56 Ų5674.9 Ų74.925%0.24637%0.369CS..Hα-helixtrans-119.2-14.7-167.5-149.3-110.9000112.8L7 V30 F32 F81 R82 I178 F182L7-F11 CarbonylContact O-C 3.25Å; L7-F11 VanDerWaalsContact O-CA 3.24Å; L7-F11 WeakPolarHBondContact O-CA 3.45Å; L7-F11 WeakPolarHBondContact O-CB 3.49Å; L7-F11 PolarHBondContact O-N 3.05Å; F11-V30 HydrophobicContact CD2-CG1 4.06Å; F11-V30 HydrophobicContact CD2-CG2 4.41Å; F11-V30 HydrophobicContact CE2-CG1 3.64Å; F11-F32 HydrophobicContact CE2-CZ 4.3Å; F11-F32 HydrophobicContact CZ-CE1 4.28Å; F11-F32 AromaticContact CZ-CZ 3.94Å; F11-F32 HydrophobicContact CZ-CZ 3.94Å; F11-F81 HydrophobicContact CE1-CE2 4.09Å; F11-F81 AromaticContact CE1-CZ 3.72Å; F11-F81 HydrophobicContact CE1-CZ 3.72Å; F11-F81 HydrophobicContact CZ-CE1 4.37Å; F11-F81 AromaticContact CZ-CZ 3.85Å; F11-F81 HydrophobicContact CZ-CZ 3.85Å; F11-R82 HydrophobicContact CD1-CG 4.43Å; F11-R82 HydrophobicContact CE1-CG 3.91Å; F11-R82 HydrophobicContact CZ-CG 4.38Å; F11-R82 VanDerWaalsContact O-CD 3.23Å; F11-R82 WeakPolarHBondContact O-CD 3.37Å; F11-R82 PolarHBondContact O-NH1 3.3Å; F11-I178 HydrophobicContact CB-CD1 4.25Å; F11-I178 HydrophobicContact CD1-CD1 4.44Å; F11-F182 AromaticContact CD1-CZ 3.87Å; F11-F182 HydrophobicContact CD1-CZ 3.87Å; F11-F182 HydrophobicContact CE1-CZ 4.23Å; F11-F182 WeakPolarHBondContact O-CE1 3.38Å
12G92.8Very high89.4Confident0 Ų066.5 Ų66.50%033%0.328CS..  trans-64.9161.9171.300000112.3L7 Q8 S181L7-G12 PolarHBondContact O-N 2.87Å; L7-G12 VanDerWaalsContact O-N 3.12Å; Q8-G12 WeakPolarHBondContact O-CA 3.49Å; Q8-G12 PolarHBondContact O-N 3.4Å; Q8-G12 VanDerWaalsContact O-N 3.13Å; G12-S181 WeakPolarHBondContact CA-OG 3.37Å
13L95.4Very high90.7Very high6 Ų666.4 Ų66.43%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-117.7167.5175.4-59.8169.1000110.8E23 N24 R82 K83 S181 F182L13-E23 CarbonylContact C-O 3.58Å; L13-E23 VanDerWaalsContact CA-O 3.23Å; L13-E23 WeakPolarHBondContact CA-O 3.43Å; L13-E23 WeakPolarHBondContact CB-O 3.33Å; L13-E23 WeakPolarHBondContact CD2-O 3.46Å; L13-N24 WeakPolarHBondContact CD2-OD1 3.42Å; L13-R82 HydrophobicContact CD1-CB 3.6Å; L13-R82 HydrophobicContact CG-CB 4.47Å; L13-K83 HydrophobicContact CD1-CG 3.95Å; L13-S181 WeakPolarHBondContact CB-O 3.44Å; L13-S181 PolarHBondContact N-OG 3.49Å; L13-S181 VanDerWaalsContact N-OG 3.11Å; L13-S181 VanDerWaalsContact O-CB 3.29Å; L13-S181 WeakPolarHBondContact O-CB 3.4Å; L13-F182 HydrophobicContact CD1-CD1 4.12Å; L13-F182 HydrophobicContact CG-CD1 4.41Å
14R95Very high91.4Very high148 Ų14866.6 Ų66.656%0.55833%0.328SS*.EExtended strand (participates in β ladder)trans-125.5138.6171.2-64.6-179.8178.3171.20.5109.1S22 E23 D26R14-S22 CarbonylContact O-C 3.58Å; R14-S22 WeakPolarHBondContact O-CA 3.46Å; R14-E23 PolarHBondContact N-O 2.84Å; R14-E23 PolarHBondContact O-N 3.44Å; R14-D26 IonicContact NH1-OD2 3.71Å
15F96.4Very high92.1Very high40 Ų4067.1 Ų67.118%0.17533%0.331CS..EExtended strand (participates in β ladder)trans-85.9128.7175-63.5-63.2000110.6D21 R180 S181 I186 F223 V229F15-D21 CarbonylContact C-O 3.39Å; F15-D21 WeakPolarHBondContact CA-O 3.39Å; F15-R180 WeakPolarHBondContact CE2-O 3.31Å; F15-S181 WeakPolarHBondContact CZ-O 3.31Å; F15-I186 HydrophobicContact CE2-CD1 3.94Å; F15-I186 HydrophobicContact CZ-CD1 3.66Å; F15-F223 HydrophobicContact CE2-CZ 4.26Å; F15-V229 HydrophobicContact CD1-CG2 3.77Å; F15-V229 HydrophobicContact CD2-CG2 4.14Å; F15-V229 HydrophobicContact CE1-CG1 3.97Å; F15-V229 HydrophobicContact CE1-CG2 3.82Å; F15-V229 HydrophobicContact CE2-CG2 4.18Å; F15-V229 HydrophobicContact CG-CG2 3.95Å; F15-V229 HydrophobicContact CZ-CG1 4.15Å; F15-V229 HydrophobicContact CZ-CG2 4.04Å
16N95.5Very high92.5Very high36 Ų3668.7 Ų68.719%0.19334%0.343CS..  trans-60.5125.9167.8-171.8-64.3000108.9T18 T19 L20 D21 E23N16-T18 PolarHBondContact O-N 3.02Å; N16-T18 WeakPolarHBondContact OD1-CB 3.35Å; N16-T18 PolarHBondContact OD1-N 3.48Å; N16-T19 WeakPolarHBondContact CB-OG1 3.18Å; N16-T19 PolarHBondContact OD1-N 3.3Å; N16-T19 VanDerWaalsContact OD1-N 3.08Å; N16-L20 WeakPolarHBondContact O-CA 3.3Å; N16-L20 PolarHBondContact O-N 3.33Å; N16-D21 PolarHBondContact N-O 3.19Å; N16-E23 WeakPolarHBondContact CB-OE1 3.4Å; N16-E23 PolarHBondContact ND2-OE1 2.81Å
17P93.3Very high92.7Very high122 Ų12264.6 Ų64.679%0.79233%0.333SS*.THydrogen-bonded Turntrans-67.4-18.8-175.227-34.8000113.4
18T94.8Very high92.7Very high126 Ų12664.9 Ų64.977%0.77334%0.338SS*.THydrogen-bonded Turntrans-96.3-54.1-179.3-52.30000111.2N16N16-T18 PolarHBondContact O-N 3.02Å; N16-T18 WeakPolarHBondContact OD1-CB 3.35Å; N16-T18 PolarHBondContact OD1-N 3.48Å
19T95.8Very high92.8Very high60 Ų6071 Ų7137%0.36836%0.364SS..THydrogen-bonded Turntrans-86.8-18.1-174.474.50000113N16 D21 K232N16-T19 WeakPolarHBondContact CB-OG1 3.18Å; N16-T19 PolarHBondContact OD1-N 3.3Å; N16-T19 VanDerWaalsContact OD1-N 3.08Å; T19-D21 VanDerWaalsContact CB-OD2 3.3Å; T19-D21 WeakPolarHBondContact CB-OD2 3Å; T19-D21 PolarHBondContact O-N 3.45Å; T19-D21 WeakPolarHBondContact OG1-CB 3.21Å; T19-D21 PolarHBondContact OG1-N 3.39Å; T19-D21 PolarHBondContact OG1-OD2 3.34Å; T19-K232 PolarHBondContact O-NZ 2.96Å
20L96.4Very high92.8Very high35 Ų3567.3 Ų67.318%0.18335%0.349CS..  trans61.910.8-170.5-53.7170.6000114.3N16 V225 Q228 V229 K232N16-L20 WeakPolarHBondContact O-CA 3.3Å; N16-L20 PolarHBondContact O-N 3.33Å; L20-V225 HydrophobicContact CD2-CG2 4.13Å; L20-Q228 HydrophobicContact CD1-CB 3.65Å; L20-Q228 HydrophobicContact CD2-CB 4.23Å; L20-V229 HydrophobicContact CB-CG2 4.37Å; L20-K232 HydrophobicContact CB-CD 4.18Å
21D96Very high92.7Very high44 Ų4467.3 Ų67.324%0.23536%0.356CS..  trans-73.9148.4172.2-62.1-43.5000110.8F15 N16 T19 Y86 E87 K232F15-D21 CarbonylContact C-O 3.39Å; F15-D21 WeakPolarHBondContact CA-O 3.39Å; N16-D21 PolarHBondContact N-O 3.19Å; T19-D21 VanDerWaalsContact CB-OD2 3.3Å; T19-D21 WeakPolarHBondContact CB-OD2 3Å; T19-D21 PolarHBondContact O-N 3.45Å; T19-D21 WeakPolarHBondContact OG1-CB 3.21Å; T19-D21 PolarHBondContact OG1-N 3.39Å; T19-D21 PolarHBondContact OG1-OD2 3.34Å; D21-Y86 WeakPolarHBondContact OD1-CD2 3.45Å; D21-Y86 WeakPolarHBondContact OD1-CE2 3.48Å; D21-E87 HydrophobicContact CB-CG 4.39Å; D21-K232 VanDerWaalsContact CG-NZ 3.35Å; D21-K232 IonicContact OD1-NZ 3.31Å; D21-K232 PolarHBondContact OD1-NZ 3.25Å; D21-K232 IonicContact OD2-NZ 2.95Å
22S95.4Very high92.7Very high3 Ų367.5 Ų67.52%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-88.3126.2178.366.10000111.1R14 K83 E87R14-S22 CarbonylContact O-C 3.58Å; R14-S22 WeakPolarHBondContact O-CA 3.46Å; S22-K83 WeakPolarHBondContact O-CE 3.47Å; S22-K83 PolarHBondContact O-NZ 3.45Å; S22-E87 WeakPolarHBondContact CA-OE1 3.4Å; S22-E87 WeakPolarHBondContact CB-OE1 3.22Å; S22-E87 PolarHBondContact N-OE1 3.29Å; S22-E87 VanDerWaalsContact OG-CD 3.23Å; S22-E87 PolarHBondContact OG-OE1 3.14Å
23E94.1Very high92.6Very high94 Ų9471.8 Ų71.844%0.43938%0.384SS..EExtended strand (participates in β ladder)trans-112.4147.8-178.9-64174.6-171.800109.3L13 R14 N16L13-E23 CarbonylContact C-O 3.58Å; L13-E23 VanDerWaalsContact CA-O 3.23Å; L13-E23 WeakPolarHBondContact CA-O 3.43Å; L13-E23 WeakPolarHBondContact CB-O 3.33Å; L13-E23 WeakPolarHBondContact CD2-O 3.46Å; R14-E23 PolarHBondContact N-O 2.84Å; R14-E23 PolarHBondContact O-N 3.44Å; N16-E23 WeakPolarHBondContact CB-OE1 3.4Å; N16-E23 PolarHBondContact ND2-OE1 2.81Å
24N93.3Very high92.6Very high58 Ų5872.1 Ų72.131%0.3139%0.389SS..EExtended strand (participates in β ladder)trans-66158.2173.3-74.5-51.3000110.2L13 R82L13-N24 WeakPolarHBondContact CD2-OD1 3.42Å; N24-R82 PolarHBondContact OD1-NH1 2.7Å; N24-R82 PolarHBondContact OD1-NH2 3.19Å
25T90.7Very high92.7Very high13 Ų1368.7 Ų68.78%0.0838%0.376CS..  trans-70.1156.3163.964.40000110.2H9 A27H9-T25 PolarHBondContact O-OG1 2.81Å; T25-A27 PolarHBondContact O-N 2.93Å; T25-A27 VanDerWaalsContact O-N 3.09Å
26D88.6Confident92.7Very high149 Ų14966.9 Ų66.980%0.79737%0.369SS*.THydrogen-bonded Turntrans-70.7-1175.2-49.4-51.3000112.8R14R14-D26 IonicContact NH1-OD2 3.71Å
27A89.9Confident92.8Very high41 Ų4169.7 Ų69.734%0.33938%0.381SS..THydrogen-bonded Turntrans-73.5-34.1-173.600000113Y10 T25Y10-A27 HydrophobicContact CD1-CB 4.17Å; Y10-A27 HydrophobicContact CE1-CB 4.49Å; T25-A27 PolarHBondContact O-N 2.93Å; T25-A27 VanDerWaalsContact O-N 3.09Å
28C85.8Confident92.9Very high50 Ų5064 Ų6434%0.33834%0.344SS..  trans-161.7160.5177.265.50000113.4Y10Y10-C28 HydrophobicContact CD1-CB 4.42Å; Y10-C28 PolarHBondContact O-SG 3.31Å
29K88.8Confident92.8Very high186 Ų18662.5 Ų62.581%0.80932%0.324SS*.  trans-84.6110.4167.3-175178.1-179.5176.80109.5I31K29-I31 HydrophobicContact CG-CG2 4.23Å
30V89.3Confident92.6Very high28 Ų2861.1 Ų61.117%0.1732%0.317CS..  trans-83.1130174.1-173.90000109.7F11 F32F11-V30 HydrophobicContact CD2-CG1 4.06Å; F11-V30 HydrophobicContact CD2-CG2 4.41Å; F11-V30 HydrophobicContact CE2-CG1 3.64Å; V30-F32 HydrophobicContact CG1-CD2 4.38Å; V30-F32 HydrophobicContact CG1-CE2 3.59Å; V30-F32 HydrophobicContact CG1-CZ 3.99Å
31I89.4Confident92.5Very high119 Ų11961 Ų6161%0.6132%0.317SS*.  trans-125145.5178.462170.9000110.9K29K29-I31 HydrophobicContact CG-CG2 4.23Å
32F90.3Very high92.4Very high59 Ų5959.1 Ų59.126%0.25931%0.306SS..  trans-11794.3176-67.8-94.3000108.3F11 V30 Y79 D80 F81F11-F32 HydrophobicContact CE2-CZ 4.3Å; F11-F32 HydrophobicContact CZ-CE1 4.28Å; F11-F32 AromaticContact CZ-CZ 3.94Å; F11-F32 HydrophobicContact CZ-CZ 3.94Å; V30-F32 HydrophobicContact CG1-CD2 4.38Å; V30-F32 HydrophobicContact CG1-CE2 3.59Å; V30-F32 HydrophobicContact CG1-CZ 3.99Å; F32-Y79 WeakPolarHBondContact CD1-O 3.43Å; F32-D80 HydrophobicContact CD2-CB 3.67Å; F32-D80 HydrophobicContact CE2-CB 3.44Å; F32-D80 VanDerWaalsContact CE2-CB 3.44Å; F32-D80 VanDerWaalsContact CE2-OD1 3.29Å; F32-D80 WeakPolarHBondContact CE2-OD1 3.49Å; F32-D80 HydrophobicContact CG-CB 4.4Å; F32-D80 HydrophobicContact CZ-CB 3.99Å; F32-D80 WeakPolarHBondContact CZ-OD1 3.44Å; F32-F81 HydrophobicContact CD1-CD1 4.33Å; F32-F81 HydrophobicContact CD1-CE1 4.45Å; F32-F81 AromaticContact CE1-CD1 3.64Å; F32-F81 HydrophobicContact CE1-CD1 3.64Å; F32-F81 AromaticContact CE1-CE1 3.57Å; F32-F81 HydrophobicContact CE1-CE1 3.57Å; F32-F81 HydrophobicContact CE1-CZ 4.43Å; F32-F81 HydrophobicContact CZ-CE1 4.41Å
33P91.2Very high92Very high90 Ų9061.5 Ų61.558%0.58432%0.315SS*.  trans-79.5173.7-17032.9-36.9000113.5S40 P78P33-S40 VanDerWaalsContact O-CB 3.3Å; P33-S40 WeakPolarHBondContact O-CB 3.38Å; P33-S40 PolarHBondContact O-OG 3.47Å; P33-P78 WeakPolarHBondContact O-CG 3.5Å
34G94.4Very high91.5Very high14 Ų1462.4 Ų62.414%0.14432%0.322CS..  trans81.133.1173.800000113.8G36 E37 P78G34-G36 PolarHBondContact O-N 2.88Å; G34-E37 PolarHBondContact O-N 3.34Å; G34-P78 WeakPolarHBondContact O-CG 3.12Å
35W96.7Very high90.6Very high75 Ų7562.6 Ų62.628%0.28432%0.321SS..THydrogen-bonded Turntrans-60.8124.4173.9-177.9-94.1000110.7E37 A77 P78 F91 K94 L95 L98W35-E37 PolarHBondContact O-N 2.81Å; W35-A77 HydrophobicContact CH2-CB 3.92Å; W35-A77 HydrophobicContact CZ3-CB 4.04Å; W35-P78 WeakPolarHBondContact CZ3-O 3.45Å; W35-F91 HydrophobicContact CH2-CD2 4.06Å; W35-F91 HydrophobicContact CH2-CE2 4.02Å; W35-F91 AromaticContact CZ3-CD2 3.81Å; W35-F91 HydrophobicContact CZ3-CD2 3.81Å; W35-F91 AromaticContact CZ3-CE2 3.82Å; W35-F91 HydrophobicContact CZ3-CE2 3.82Å; W35-K94 HydrophobicContact CH2-CB 3.86Å; W35-K94 HydrophobicContact CZ2-CB 3.4Å; W35-K94 VanDerWaalsContact CZ2-CB 3.4Å; W35-K94 WeakPolarHBondContact CZ2-O 3.45Å; W35-L95 HydrophobicContact CH2-CB 4.29Å; W35-L98 HydrophobicContact CZ2-CB 4.08Å; W35-L98 HydrophobicContact CZ2-CD2 3.91Å
36G97.8Very high89.4Confident2 Ų267.5 Ų67.52%0.02135%0.351CS..THydrogen-bonded Turntrans80-14.7-174.800000114.1G34 R75 G76G34-G36 PolarHBondContact O-N 2.88Å; G36-R75 WeakPolarHBondContact O-CD 3.46Å; G36-R75 PolarHBondContact O-NE 3.01Å; G36-G76 WeakPolarHBondContact CA-O 3.47Å; G36-G76 PolarHBondContact N-O 2.98Å
37E97.1Very high88.2Confident95 Ų9566 Ų6644%0.44434%0.343SS..  trans-89.5157.8176.8-62.7174.3-154.800111.4G34 W35 N71 G76G34-E37 PolarHBondContact O-N 3.34Å; W35-E37 PolarHBondContact O-N 2.81Å; E37-N71 WeakPolarHBondContact CA-OD1 3.38Å; E37-G76 WeakPolarHBondContact O-CA 3.42Å; E37-G76 PolarHBondContact O-N 3.42Å
38T95.7Very high86.4Confident2 Ų265.4 Ų65.41%0.01234%0.341CS..SBendtrans-89.6-27.1176.361.30000112.7S40 I41 E42 K70 N71 L74T38-S40 VanDerWaalsContact C-N 3.31Å; T38-S40 PolarHBondContact O-N 3.3Å; T38-S40 VanDerWaalsContact O-N 3.14Å; T38-I41 WeakPolarHBondContact O-CG1 3.37Å; T38-I41 PolarHBondContact O-N 3.48Å; T38-I41 VanDerWaalsContact O-N 3.07Å; T38-E42 VanDerWaalsContact C-OE1 3.28Å; T38-E42 WeakPolarHBondContact CB-OE1 3.24Å; T38-E42 VanDerWaalsContact O-CG 3.29Å; T38-E42 WeakPolarHBondContact O-CG 3.33Å; T38-E42 PolarHBondContact O-N 3.45Å; T38-E42 PolarHBondContact OG1-OE1 2.9Å; T38-K70 HydrophobicContact CG2-CB 4.41Å; T38-K70 HydrophobicContact CG2-CG 4.17Å; T38-K70 WeakPolarHBondContact OG1-CG 3.49Å; T38-N71 PolarHBondContact N-OD1 3.25Å; T38-L74 HydrophobicContact CG2-CG 4.05Å; T38-L74 VanDerWaalsContact CG2-O 3.32Å; T38-L74 WeakPolarHBondContact CG2-O 3.31Å
39R93Very high84.9Confident95 Ų9569 Ų6936%0.35835%0.351SS..Hα-helixtrans-56.9-39.3-168.2178.761.3-173.181-5114I41 E42 Y43 H45 T46R39-I41 VanDerWaalsContact C-N 3.35Å; R39-E42 PolarHBondContact N-OE1 3.29Å; R39-E42 PolarHBondContact O-N 3.49Å; R39-Y43 VanDerWaalsContact NH1-CB 3.31Å; R39-Y43 PolarHBondContact NH1-O 3.48Å; R39-Y43 PolarHBondContact O-N 3.22Å; R39-H45 PolarHBondContact NH2-O 3.24Å; R39-T46 PolarHBondContact NH2-O 2.89Å
40S91.6Very high83.3Confident32 Ų3271 Ų7122%0.22435%0.354CS..Hα-helixtrans-72.4-26.9-177.157.90000113.2P33 T38P33-S40 VanDerWaalsContact O-CB 3.3Å; P33-S40 WeakPolarHBondContact O-CB 3.38Å; P33-S40 PolarHBondContact O-OG 3.47Å; T38-S40 VanDerWaalsContact C-N 3.31Å; T38-S40 PolarHBondContact O-N 3.3Å; T38-S40 VanDerWaalsContact O-N 3.14Å
41I93.7Very high81.9Confident33 Ų3379.1 Ų79.117%0.16939%0.387CS..Hα-helixtrans-90.9-25.6174.665.4161.8000112.1T38 R39 F55 P78T38-I41 WeakPolarHBondContact O-CG1 3.37Å; T38-I41 PolarHBondContact O-N 3.48Å; T38-I41 VanDerWaalsContact O-N 3.07Å; R39-I41 VanDerWaalsContact C-N 3.35Å; I41-F55 HydrophobicContact CB-CB 4.39Å; I41-F55 HydrophobicContact CB-CD2 4.01Å; I41-F55 HydrophobicContact CB-CG 4.43Å; I41-F55 HydrophobicContact CD1-CB 4.08Å; I41-F55 HydrophobicContact CD1-CD1 4.42Å; I41-F55 HydrophobicContact CD1-CD2 4.22Å; I41-F55 HydrophobicContact CD1-CG 3.98Å; I41-F55 HydrophobicContact CG1-CB 4.13Å; I41-F55 HydrophobicContact CG1-CD2 4.45Å; I41-F55 HydrophobicContact CG1-CG 4.39Å; I41-F55 WeakPolarHBondContact O-CB 3.48Å; I41-F55 PolarHBondContact O-N 3.49Å; I41-F55 VanDerWaalsContact O-N 3.1Å; I41-P78 HydrophobicContact CG2-CB 4.26Å
42E93.2Very high81Confident4 Ų478 Ų782%0.01938%0.378CS..Hα-helixtrans-67.5-47.3179.1-74.7177-93.300111.8T38 R39 N53 Y54 G56 V59 K70T38-E42 VanDerWaalsContact C-OE1 3.28Å; T38-E42 WeakPolarHBondContact CB-OE1 3.24Å; T38-E42 VanDerWaalsContact O-CG 3.29Å; T38-E42 WeakPolarHBondContact O-CG 3.33Å; T38-E42 PolarHBondContact O-N 3.45Å; T38-E42 PolarHBondContact OG1-OE1 2.9Å; R39-E42 PolarHBondContact N-OE1 3.29Å; R39-E42 PolarHBondContact O-N 3.49Å; E42-N53 PolarHBondContact O-OD1 3.01Å; E42-N53 VanDerWaalsContact O-OD1 3.13Å; E42-Y54 PolarHBondContact O-N 3.42Å; E42-G56 PolarHBondContact O-N 3.03Å; E42-V59 HydrophobicContact CG-CB 3.88Å; E42-V59 HydrophobicContact CG-CG1 4.04Å; E42-V59 HydrophobicContact CG-CG2 3.75Å; E42-V59 VanDerWaalsContact OE2-CG1 3.31Å; E42-V59 WeakPolarHBondContact OE2-CG1 3.31Å; E42-K70 WeakPolarHBondContact OE1-CE 3.31Å; E42-K70 IonicContact OE1-NZ 3.17Å; E42-K70 WeakPolarHBondContact OE2-CE 3.36Å; E42-K70 IonicContact OE2-NZ 3.95Å; E42-K70 PolarHBondContact OE2-NZ 3.25Å; E42-K70 VanDerWaalsContact OE2-NZ 3.12Å
43Y88.2Confident80.7Confident53 Ų5377.4 Ų77.421%0.20838%0.378CS..BIsolated β-bridgetrans-136.5122.7-179-37.8-98.7000112.2R39 H45 F52 N53R39-Y43 VanDerWaalsContact NH1-CB 3.31Å; R39-Y43 PolarHBondContact NH1-O 3.48Å; R39-Y43 PolarHBondContact O-N 3.22Å; Y43-H45 PolarHBondContact O-N 3.5Å; Y43-F52 WeakPolarHBondContact CA-O 3.28Å; Y43-N53 HydrophobicContact CD1-CB 4.2Å; Y43-N53 HydrophobicContact CE1-CB 4.44Å
44L82.5Confident80.8Confident112 Ų11275.9 Ų75.959%0.58636%0.36SS*.SBendtrans-78.13.7-178.2-55.2179.9000113.7F52 Y54L44-F52 HydrophobicContact CB-CB 4.26Å; L44-F52 PolarHBondContact N-O 3.24Å; L44-Y54 HydrophobicContact CD2-CD1 4.4Å
45H74.6Confident80.9Confident62 Ų6276.5 Ų76.529%0.28736%0.359SS..SBendtrans-132.8141.7176.6-171.2-87.9000110.4R39 Y43 N47 G48 F49 F52R39-H45 PolarHBondContact NH2-O 3.24Å; Y43-H45 PolarHBondContact O-N 3.5Å; H45-N47 VanDerWaalsContact C-N 3.32Å; H45-N47 PolarHBondContact ND1-N 2.95Å; H45-N47 VanDerWaalsContact ND1-N 3.11Å; H45-N47 PolarHBondContact O-N 2.89Å; H45-G48 PolarHBondContact O-N 3.31Å; H45-G48 VanDerWaalsContact O-N 3.12Å; H45-F49 AromaticContact CE1-CD2 3.98Å; H45-F49 AromaticContact ND1-CD2 3.84Å; H45-F52 HydrophobicContact CB-CB 3.62Å; H45-F52 HydrophobicContact CB-CD1 4.31Å; H45-F52 HydrophobicContact CB-CD2 3.41Å; H45-F52 VanDerWaalsContact CB-CD2 3.41Å; H45-F52 HydrophobicContact CB-CE2 4.12Å; H45-F52 HydrophobicContact CB-CG 3.52Å; H45-F52 AromaticContact CG-CD2 3.85Å
46T66.3Low80.8Confident116 Ų11672.9 Ų72.971%0.71235%0.346SS*.THydrogen-bonded Turntrans-58.7-42.9-176.547.80000112R39 G48R39-T46 PolarHBondContact NH2-O 2.89Å; T46-G48 PolarHBondContact O-N 3.33Å
47N62.1Low80.6Confident117 Ų11774.4 Ų74.463%0.62636%0.355SS*.THydrogen-bonded Turntrans-79.86.8-179-58.8-9.9000114.6H45 F49H45-N47 VanDerWaalsContact C-N 3.32Å; H45-N47 PolarHBondContact ND1-N 2.95Å; H45-N47 VanDerWaalsContact ND1-N 3.11Å; H45-N47 PolarHBondContact O-N 2.89Å; N47-F49 HydrophobicContact CB-CD2 3.92Å; N47-F49 HydrophobicContact CB-CE2 3.8Å; N47-F49 PolarHBondContact O-N 3.05Å; N47-F49 VanDerWaalsContact O-N 3.08Å
48G53.6Low80.6Confident29 Ų2970.2 Ų70.230%0.29934%0.336SS..  trans62.322.1172.400000115.4H45 T46 R50H45-G48 PolarHBondContact O-N 3.31Å; H45-G48 VanDerWaalsContact O-N 3.12Å; T46-G48 PolarHBondContact O-N 3.33Å; G48-R50 PolarHBondContact O-N 3.34Å
49F53.8Low80.6Confident125 Ų12570.3 Ų70.355%0.54834%0.336SS..  trans-55.7135.3177.1-79-73.2000110.5H45 N47 F51 F52H45-F49 AromaticContact CE1-CD2 3.98Å; H45-F49 AromaticContact ND1-CD2 3.84Å; N47-F49 HydrophobicContact CB-CD2 3.92Å; N47-F49 HydrophobicContact CB-CE2 3.8Å; N47-F49 PolarHBondContact O-N 3.05Å; N47-F49 VanDerWaalsContact O-N 3.08Å; F49-F51 PolarHBondContact O-N 3.45Å; F49-F52 HydrophobicContact CB-CD2 4.08Å; F49-F52 PolarHBondContact O-N 2.89Å
50R55.2Low80.7Confident230 Ų23068.9 Ų68.987%0.86834%0.336SS*.G310 helixtrans-52.3-29.1-174.7-167.1175.3179.6173-0.5113.9G48 F52 N53G48-R50 PolarHBondContact O-N 3.34Å; R50-F52 VanDerWaalsContact C-N 3.29Å; R50-F52 PolarHBondContact O-N 3.45Å; R50-N53 VanDerWaalsContact O-CB 3.27Å; R50-N53 WeakPolarHBondContact O-CB 3.44Å; R50-N53 PolarHBondContact O-N 3.17Å
51F59.2Low80.9Confident198 Ų19869.2 Ų69.287%0.86833%0.333SS*.G310 helixtrans-67.1-24.5177.2-113.4-83.9000114.5F49F49-F51 PolarHBondContact O-N 3.45Å
52F70.5Confident81Confident96 Ų9668 Ų6842%0.42133%0.327SS..G310 helixtrans-10314.1178.6-61.9-74.2000112.3Y43 L44 H45 F49 R50Y43-F52 WeakPolarHBondContact CA-O 3.28Å; L44-F52 HydrophobicContact CB-CB 4.26Å; L44-F52 PolarHBondContact N-O 3.24Å; H45-F52 HydrophobicContact CB-CB 3.62Å; H45-F52 HydrophobicContact CB-CD1 4.31Å; H45-F52 HydrophobicContact CB-CD2 3.41Å; H45-F52 VanDerWaalsContact CB-CD2 3.41Å; H45-F52 HydrophobicContact CB-CE2 4.12Å; H45-F52 HydrophobicContact CB-CG 3.52Å; H45-F52 AromaticContact CG-CD2 3.85Å; F49-F52 HydrophobicContact CB-CD2 4.08Å; F49-F52 PolarHBondContact O-N 2.89Å; R50-F52 VanDerWaalsContact C-N 3.29Å; R50-F52 PolarHBondContact O-N 3.45Å
53N85Confident81.1Confident46 Ų4671.4 Ų71.425%0.24634%0.343CS..BIsolated β-bridgetrans-74.5125.7174.6-164.3-0.3000109.5E42 Y43 R50 G56 P57E42-N53 PolarHBondContact O-OD1 3.01Å; E42-N53 VanDerWaalsContact O-OD1 3.13Å; Y43-N53 HydrophobicContact CD1-CB 4.2Å; Y43-N53 HydrophobicContact CE1-CB 4.44Å; R50-N53 VanDerWaalsContact O-CB 3.27Å; R50-N53 WeakPolarHBondContact O-CB 3.44Å; R50-N53 PolarHBondContact O-N 3.17Å; N53-G56 WeakPolarHBondContact OD1-CA 3.31Å; N53-G56 PolarHBondContact OD1-N 3.31Å; N53-P57 VanDerWaalsContact OD1-CD 3.29Å; N53-P57 WeakPolarHBondContact OD1-CD 3.18Å
54Y92.9Very high81.4Confident57 Ų5776 Ų7622%0.22436%0.364CS..SBendtrans-121.9-83.9-174.9-173.5-134.1000110.7E42 L44 G56 P57 H116 V316 L319E42-Y54 PolarHBondContact O-N 3.42Å; L44-Y54 HydrophobicContact CD2-CD1 4.4Å; Y54-G56 VanDerWaalsContact C-N 3.32Å; Y54-P57 WeakPolarHBondContact O-CD 3.33Å; Y54-H116 AromaticContact CE2-CE1 3.71Å; Y54-H116 AromaticContact CE2-ND1 3.46Å; Y54-H116 WeakPolarHBondContact CE2-ND1 3.23Å; Y54-H116 AromaticContact CZ-CE1 4Å; Y54-H116 AromaticContact CZ-ND1 3.33Å; Y54-H116 VanDerWaalsContact CZ-ND1 3.33Å; Y54-H116 PolarHBondContact OH-ND1 3.28Å; Y54-V316 HydrophobicContact CD2-CG1 3.81Å; Y54-V316 HydrophobicContact CE2-CG1 4.12Å; Y54-V316 HydrophobicContact CE2-CG2 4.38Å; Y54-L319 HydrophobicContact CD2-CD1 3.81Å; Y54-L319 HydrophobicContact CE2-CD1 3.73Å; Y54-L319 HydrophobicContact CG-CD1 4.39Å
55F95.8Very high81.9Confident27 Ų2773.4 Ų73.412%0.11835%0.351CS..SBendtrans-81.1-8.8173.3-82.7-89.5000114.1I41 P57 L58 V59 L114 H116 L319I41-F55 HydrophobicContact CB-CB 4.39Å; I41-F55 HydrophobicContact CB-CD2 4.01Å; I41-F55 HydrophobicContact CB-CG 4.43Å; I41-F55 HydrophobicContact CD1-CB 4.08Å; I41-F55 HydrophobicContact CD1-CD1 4.42Å; I41-F55 HydrophobicContact CD1-CD2 4.22Å; I41-F55 HydrophobicContact CD1-CG 3.98Å; I41-F55 HydrophobicContact CG1-CB 4.13Å; I41-F55 HydrophobicContact CG1-CD2 4.45Å; I41-F55 HydrophobicContact CG1-CG 4.39Å; I41-F55 WeakPolarHBondContact O-CB 3.48Å; I41-F55 PolarHBondContact O-N 3.49Å; I41-F55 VanDerWaalsContact O-N 3.1Å; F55-P57 VanDerWaalsContact C-CD 3.42Å; F55-L58 HydrophobicContact CD1-CD2 4.05Å; F55-L58 HydrophobicContact CE1-CD2 4.27Å; F55-L58 PolarHBondContact O-N 3.31Å; F55-L58 VanDerWaalsContact O-N 3.1Å; F55-V59 HydrophobicContact CB-CG2 4.3Å; F55-V59 WeakPolarHBondContact O-CG2 3.33Å; F55-V59 PolarHBondContact O-N 2.95Å; F55-L114 HydrophobicContact CE1-CD2 3.82Å; F55-L114 HydrophobicContact CZ-CD2 4.34Å; F55-H116 HydrophobicContact CE2-CB 4.38Å; F55-H116 HydrophobicContact CZ-CB 3.79Å; F55-L319 HydrophobicContact CD2-CD1 4.36Å; F55-L319 HydrophobicContact CE1-CD1 4.4Å; F55-L319 HydrophobicContact CE1-CD2 4.16Å; F55-L319 HydrophobicContact CE2-CD1 4.25Å; F55-L319 HydrophobicContact CG-CD1 4.49Å; F55-L319 HydrophobicContact CZ-CD1 4.27Å; F55-L319 HydrophobicContact CZ-CD2 4.49Å
56G94.3Very high82.8Confident0 Ų080 Ų800%038%0.379CS..Hα-helixtrans-54.3-40.4-175.200000115.1E42 N53 Y54 L58 N60E42-G56 PolarHBondContact O-N 3.03Å; N53-G56 WeakPolarHBondContact OD1-CA 3.31Å; N53-G56 PolarHBondContact OD1-N 3.31Å; Y54-G56 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 3.12Å; G56-N60 VanDerWaalsContact O-CB 3.24Å; G56-N60 WeakPolarHBondContact O-CB 3.34Å; G56-N60 PolarHBondContact O-N 3.31Å; G56-N60 PolarHBondContact O-ND2 3.3Å
57P94.8Very high84Confident34 Ų3477.4 Ų77.422%0.22136%0.357CS..Hα-helixtrans-64.4-41.9177.8-21.837.5000112N53 Y54 F55 F61 A320N53-P57 VanDerWaalsContact OD1-CD 3.29Å; N53-P57 WeakPolarHBondContact OD1-CD 3.18Å; Y54-P57 WeakPolarHBondContact O-CD 3.33Å; F55-P57 VanDerWaalsContact C-CD 3.42Å; P57-F61 VanDerWaalsContact O-CB 3.26Å; P57-F61 WeakPolarHBondContact O-CB 3.42Å; P57-F61 PolarHBondContact O-N 3.45Å; P57-A320 HydrophobicContact CB-CB 3.78Å; P57-A320 HydrophobicContact CG-CB 3.81Å
58L96.3Very high85.6Confident7 Ų772.8 Ų72.84%0.03733%0.332CS..Hα-helixtrans-65-49.6177.3176.160.8000111.5F55 G56 N60 F61 L62 L114 F324 L325 V328F55-L58 HydrophobicContact CD1-CD2 4.05Å; F55-L58 HydrophobicContact CE1-CD2 4.27Å; F55-L58 PolarHBondContact O-N 3.31Å; F55-L58 VanDerWaalsContact O-N 3.1Å; G56-L58 PolarHBondContact O-N 3.12Å; L58-N60 PolarHBondContact O-N 2.75Å; L58-F61 WeakPolarHBondContact O-CB 3.26Å; L58-F61 PolarHBondContact O-N 2.99Å; L58-F61 VanDerWaalsContact O-N 3.14Å; L58-L62 HydrophobicContact CD1-CD1 4.06Å; L58-L62 HydrophobicContact CD1-CG 4.13Å; L58-L62 HydrophobicContact CG-CD1 4.21Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.47Å; L58-L114 HydrophobicContact CD2-CD1 3.74Å; L58-L114 HydrophobicContact CD2-CD2 4.46Å; L58-F324 HydrophobicContact CD2-CE1 4.36Å; L58-L325 HydrophobicContact CB-CD2 3.95Å; L58-L325 HydrophobicContact CD1-CD2 3.67Å; L58-L325 HydrophobicContact CG-CD2 4.44Å; L58-V328 HydrophobicContact CD1-CB 4.2Å; L58-V328 HydrophobicContact CD1-CG1 4.05Å; L58-V328 HydrophobicContact CD1-CG2 4.37Å
59V96.2Very high87.7Confident4 Ų475.4 Ų75.42%0.02434%0.338CS..Hα-helixtrans-59.8-48.4-179.7169.80000110.9E42 F55 F61 L62 E63 K70 L74E42-V59 HydrophobicContact CG-CB 3.88Å; E42-V59 HydrophobicContact CG-CG1 4.04Å; E42-V59 HydrophobicContact CG-CG2 3.75Å; E42-V59 VanDerWaalsContact OE2-CG1 3.31Å; E42-V59 WeakPolarHBondContact OE2-CG1 3.31Å; F55-V59 HydrophobicContact CB-CG2 4.3Å; F55-V59 WeakPolarHBondContact O-CG2 3.33Å; F55-V59 PolarHBondContact O-N 2.95Å; V59-F61 VanDerWaalsContact C-N 3.26Å; V59-F61 PolarHBondContact O-N 2.86Å; V59-L62 PolarHBondContact O-N 2.86Å; V59-E63 PolarHBondContact O-N 3.11Å; V59-K70 HydrophobicContact CG1-CD 4.22Å; V59-K70 HydrophobicContact CG1-CG 4.05Å; V59-L74 HydrophobicContact CB-CD2 4.23Å; V59-L74 HydrophobicContact CG1-CD2 3.78Å; V59-L74 HydrophobicContact CG2-CD2 4.15Å
60N95.1Very high89.8Confident65 Ų6572 Ų7235%0.34832%0.323SS..Hα-helixtrans-64.8-29.6177.6-68.5-28.3000112.7G56 L58 K70G56-N60 VanDerWaalsContact O-CB 3.24Å; G56-N60 WeakPolarHBondContact O-CB 3.34Å; G56-N60 PolarHBondContact O-N 3.31Å; G56-N60 PolarHBondContact O-ND2 3.3Å; L58-N60 PolarHBondContact O-N 2.75Å; N60-K70 PolarHBondContact OD1-NZ 2.88Å
61F95.9Very high91.8Very high38 Ų3864.4 Ų64.417%0.16730%0.3CS..Hα-helixtrans-71.7-40.5175.8-165.4-96.4000111.7P57 L58 V59 K64 L325 Q326 Q329P57-F61 VanDerWaalsContact O-CB 3.26Å; P57-F61 WeakPolarHBondContact O-CB 3.42Å; P57-F61 PolarHBondContact O-N 3.45Å; L58-F61 WeakPolarHBondContact O-CB 3.26Å; L58-F61 PolarHBondContact O-N 2.99Å; L58-F61 VanDerWaalsContact O-N 3.14Å; V59-F61 VanDerWaalsContact C-N 3.26Å; V59-F61 PolarHBondContact O-N 2.86Å; F61-K64 WeakPolarHBondContact O-CB 3.43Å; F61-L325 HydrophobicContact CB-CD1 4.27Å; F61-L325 HydrophobicContact CB-CD2 4.12Å; F61-L325 HydrophobicContact CD1-CB 3.81Å; F61-L325 HydrophobicContact CD2-CB 4.2Å; F61-L325 HydrophobicContact CD2-CD1 4.04Å; F61-L325 HydrophobicContact CE1-CB 3.94Å; F61-L325 VanDerWaalsContact CE1-O 3.3Å; F61-L325 WeakPolarHBondContact CE1-O 3.14Å; F61-L325 HydrophobicContact CE2-CB 4.33Å; F61-L325 HydrophobicContact CG-CB 3.95Å; F61-L325 HydrophobicContact CG-CD1 4.16Å; F61-L325 HydrophobicContact CG-CD2 4.39Å; F61-L325 HydrophobicContact CG-CG 4.4Å; F61-L325 HydrophobicContact CZ-CB 4.21Å; F61-Q326 HydrophobicContact CZ-CG 4.34Å; F61-Q329 HydrophobicContact CD1-CB 4.14Å; F61-Q329 HydrophobicContact CE1-CB 3.67Å; F61-Q329 HydrophobicContact CE1-CG 4.21Å; F61-Q329 VanDerWaalsContact CE1-OE1 3.3Å
62L96.1Very high93.7Very high8 Ų859.1 Ų59.14%0.04228%0.277CS..Hα-helixtrans-69.4-41.3178.1-70.5178000112.6L58 V59 K64 N65 F68 L74 V328 V332L58-L62 HydrophobicContact CD1-CD1 4.06Å; L58-L62 HydrophobicContact CD1-CG 4.13Å; L58-L62 HydrophobicContact CG-CD1 4.21Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.47Å; V59-L62 PolarHBondContact O-N 2.86Å; L62-K64 PolarHBondContact O-N 3.04Å; L62-N65 PolarHBondContact O-N 3.4Å; L62-F68 HydrophobicContact CB-CB 4.21Å; L62-F68 HydrophobicContact CB-CD2 4.1Å; L62-F68 HydrophobicContact CB-CG 4.07Å; L62-F68 HydrophobicContact CD2-CD2 4.34Å; L62-F68 HydrophobicContact CD2-CE2 4.24Å; L62-F68 WeakPolarHBondContact O-CD2 3.43Å; L62-L74 HydrophobicContact CB-CD2 4.28Å; L62-L74 HydrophobicContact CD1-CD1 4.01Å; L62-L74 HydrophobicContact CD1-CD2 4.38Å; L62-V328 HydrophobicContact CD2-CG1 4.24Å; L62-V332 HydrophobicContact CD2-CG2 3.69Å
63E95Very high94.9Very high75 Ų7555.4 Ų55.435%0.3526%0.262SS..THydrogen-bonded Turntrans-58.7-16.5177.8-87.4-166.112400114.3V59 N65 K70V59-E63 PolarHBondContact O-N 3.11Å; E63-N65 PolarHBondContact O-N 2.81Å; E63-K70 VanDerWaalsContact CD-CD 3.49Å; E63-K70 VanDerWaalsContact CD-CE 3.43Å; E63-K70 HydrophobicContact CG-CG 4.14Å; E63-K70 VanDerWaalsContact OE1-CD 3.24Å; E63-K70 WeakPolarHBondContact OE1-CD 3.32Å; E63-K70 VanDerWaalsContact OE1-CG 3.28Å; E63-K70 WeakPolarHBondContact OE1-CG 3.24Å; E63-K70 WeakPolarHBondContact OE2-CD 3.39Å; E63-K70 WeakPolarHBondContact OE2-CE 3.44Å; E63-K70 IonicContact OE2-NZ 3Å; E63-K70 PolarHBondContact OE2-NZ 2.95Å
64K94.2Very high95.5Very high151 Ų15154.6 Ų54.666%0.65726%0.257SS*.THydrogen-bonded Turntrans-60.6-25.7171.7-65-179.7179.9178.90112.4F61 L62F61-K64 WeakPolarHBondContact O-CB 3.43Å; L62-K64 PolarHBondContact O-N 3.04Å
65N92.6Very high95.8Very high57 Ų5754.4 Ų54.431%0.30526%0.256SS..SBendtrans-93.4123169.5-178.7-33.7000109.1L62 E63 F67 F68 T333L62-N65 PolarHBondContact O-N 3.4Å; E63-N65 PolarHBondContact O-N 2.81Å; N65-F67 PolarHBondContact O-N 2.97Å; N65-F67 VanDerWaalsContact OD1-CB 3.31Å; N65-F67 WeakPolarHBondContact OD1-CB 3.21Å; N65-F67 PolarHBondContact OD1-N 2.74Å; N65-F68 HydrophobicContact CB-CD2 4.05Å; N65-F68 HydrophobicContact CB-CE2 4.44Å; N65-F68 PolarHBondContact O-N 2.87Å; N65-T333 WeakPolarHBondContact ND2-CG2 3.44Å
66K93.2Very high95.9Very high200 Ų20053.2 Ų53.287%0.8725%0.251SS*.THydrogen-bonded Turntrans-57.9-16.5-176.5-62.2-175.3179.6-178.20114.7
67F93.2Very high96Very high61 Ų6154.7 Ų54.727%0.26826%0.263SS..THydrogen-bonded Turntrans-68.9-34173.6177.7-98.6000112.7N65 I69 T73 A106N65-F67 PolarHBondContact O-N 2.97Å; N65-F67 VanDerWaalsContact OD1-CB 3.31Å; N65-F67 WeakPolarHBondContact OD1-CB 3.21Å; N65-F67 PolarHBondContact OD1-N 2.74Å; F67-I69 PolarHBondContact O-N 3.32Å; F67-T73 PolarHBondContact O-OG1 2.87Å; F67-A106 HydrophobicContact CZ-CB 3.93Å
68F95.8Very high96.1Very high20 Ų2054 Ų549%0.08826%0.259CS..  trans-86.9108.5180-63.5-70.6000110.1L62 N65 T73 V332 T333L62-F68 HydrophobicContact CB-CB 4.21Å; L62-F68 HydrophobicContact CB-CD2 4.1Å; L62-F68 HydrophobicContact CB-CG 4.07Å; L62-F68 HydrophobicContact CD2-CD2 4.34Å; L62-F68 HydrophobicContact CD2-CE2 4.24Å; L62-F68 WeakPolarHBondContact O-CD2 3.43Å; N65-F68 HydrophobicContact CB-CD2 4.05Å; N65-F68 HydrophobicContact CB-CE2 4.44Å; N65-F68 PolarHBondContact O-N 2.87Å; F68-T73 WeakPolarHBondContact CA-OG1 3.36Å; F68-V332 HydrophobicContact CE1-CB 4.31Å; F68-V332 HydrophobicContact CE1-CG2 4.05Å; F68-V332 HydrophobicContact CE2-CB 4.49Å; F68-V332 HydrophobicContact CE2-CG2 3.56Å; F68-V332 HydrophobicContact CZ-CB 3.66Å; F68-V332 HydrophobicContact CZ-CG2 3.16Å; F68-T333 HydrophobicContact CE2-CG2 3.83Å; F68-T333 HydrophobicContact CZ-CG2 4.49Å
69I97.1Very high96Very high85 Ų8556 Ų5644%0.43627%0.266SS..  trans-116119.3-180-56.7172.3000106.4F67 N71 F72 T73 L74F67-I69 PolarHBondContact O-N 3.32Å; I69-N71 PolarHBondContact O-N 2.73Å; I69-F72 HydrophobicContact CB-CB 4.12Å; I69-F72 HydrophobicContact CD1-CD1 4.35Å; I69-F72 HydrophobicContact CG2-CB 3.96Å; I69-F72 PolarHBondContact O-N 3.12Å; I69-F72 VanDerWaalsContact O-N 3.11Å; I69-T73 PolarHBondContact N-OG1 3.21Å; I69-T73 PolarHBondContact O-N 3.06Å; I69-L74 PolarHBondContact O-N 2.72Å
70K97.2Very high96Very high54 Ų5456.4 Ų56.424%0.23527%0.268CS..BIsolated β-bridgetrans-49.5139.4174.7-79.7176.1168.8153.90110.8T38 E42 V59 N60 E63 F72T38-K70 HydrophobicContact CG2-CB 4.41Å; T38-K70 HydrophobicContact CG2-CG 4.17Å; T38-K70 WeakPolarHBondContact OG1-CG 3.49Å; E42-K70 WeakPolarHBondContact OE1-CE 3.31Å; E42-K70 IonicContact OE1-NZ 3.17Å; E42-K70 WeakPolarHBondContact OE2-CE 3.36Å; E42-K70 IonicContact OE2-NZ 3.95Å; E42-K70 PolarHBondContact OE2-NZ 3.25Å; E42-K70 VanDerWaalsContact OE2-NZ 3.12Å; V59-K70 HydrophobicContact CG1-CD 4.22Å; V59-K70 HydrophobicContact CG1-CG 4.05Å; N60-K70 PolarHBondContact OD1-NZ 2.88Å; E63-K70 VanDerWaalsContact CD-CD 3.49Å; E63-K70 VanDerWaalsContact CD-CE 3.43Å; E63-K70 HydrophobicContact CG-CG 4.14Å; E63-K70 VanDerWaalsContact OE1-CD 3.24Å; E63-K70 WeakPolarHBondContact OE1-CD 3.32Å; E63-K70 VanDerWaalsContact OE1-CG 3.28Å; E63-K70 WeakPolarHBondContact OE1-CG 3.24Å; E63-K70 WeakPolarHBondContact OE2-CD 3.39Å; E63-K70 WeakPolarHBondContact OE2-CE 3.44Å; E63-K70 IonicContact OE2-NZ 3Å; E63-K70 PolarHBondContact OE2-NZ 2.95Å; K70-F72 PolarHBondContact O-N 2.86Å
71N97.9Very high95.9Very high70 Ų7058.1 Ų58.137%0.37427%0.273SS..THydrogen-bonded Turntrans63.76.4177.6-43.3-25.4000114E37 T38 I69 L74 R75E37-N71 WeakPolarHBondContact CA-OD1 3.38Å; T38-N71 PolarHBondContact N-OD1 3.25Å; I69-N71 PolarHBondContact O-N 2.73Å; N71-L74 PolarHBondContact N-O 3.12Å; N71-R75 VanDerWaalsContact O-CD 3.23Å; N71-R75 WeakPolarHBondContact O-CD 3.42Å; N71-R75 VanDerWaalsContact O-CZ 3.31Å; N71-R75 PolarHBondContact O-NE 3.45Å; N71-R75 PolarHBondContact O-NH1 2.79Å
72F98Very high95.9Very high87 Ų8756.3 Ų56.338%0.38227%0.265SS..THydrogen-bonded Turntrans-127-68.4-179.2-169.2-113.1000112.9I69 K70 N105I69-F72 HydrophobicContact CB-CB 4.12Å; I69-F72 HydrophobicContact CD1-CD1 4.35Å; I69-F72 HydrophobicContact CG2-CB 3.96Å; I69-F72 PolarHBondContact O-N 3.12Å; I69-F72 VanDerWaalsContact O-N 3.11Å; K70-F72 PolarHBondContact O-N 2.86Å; F72-N105 HydrophobicContact CD1-CB 4.16Å; F72-N105 HydrophobicContact CD2-CB 4.04Å; F72-N105 HydrophobicContact CE1-CB 3.81Å; F72-N105 HydrophobicContact CE2-CB 3.69Å; F72-N105 WeakPolarHBondContact CE2-OD1 3.19Å; F72-N105 HydrophobicContact CG-CB 4.27Å; F72-N105 HydrophobicContact CZ-CB 3.56Å; F72-N105 PolarHBondContact O-ND2 2.76Å
73T97.1Very high95.9Very high18 Ų1857 Ų5711%0.1127%0.268CS..THydrogen-bonded Turntrans-99.7-18.1173530000112.5F67 F68 I69 A106F67-T73 PolarHBondContact O-OG1 2.87Å; F68-T73 WeakPolarHBondContact CA-OG1 3.36Å; I69-T73 PolarHBondContact N-OG1 3.21Å; I69-T73 PolarHBondContact O-N 3.06Å; T73-A106 HydrophobicContact CG2-CB 4.21Å
74L97.5Very high95.9Very high29 Ų2953.4 Ų53.415%0.15225%0.251CS..BIsolated β-bridgetrans-114.5112.7171.2-176.661000109T38 V59 L62 I69 N71T38-L74 HydrophobicContact CG2-CG 4.05Å; T38-L74 VanDerWaalsContact CG2-O 3.32Å; T38-L74 WeakPolarHBondContact CG2-O 3.31Å; V59-L74 HydrophobicContact CB-CD2 4.23Å; V59-L74 HydrophobicContact CG1-CD2 3.78Å; V59-L74 HydrophobicContact CG2-CD2 4.15Å; L62-L74 HydrophobicContact CB-CD2 4.28Å; L62-L74 HydrophobicContact CD1-CD1 4.01Å; L62-L74 HydrophobicContact CD1-CD2 4.38Å; I69-L74 PolarHBondContact O-N 2.72Å; N71-L74 PolarHBondContact N-O 3.12Å
75R98.2Very high95.9Very high53 Ų5346.5 Ų46.520%0.222%0.222CC..  trans-125.4142.3-170.1-54.9-66.9-76.3-109.7-20.8111G36 N71 L98 E101 T102 N105G36-R75 WeakPolarHBondContact O-CD 3.46Å; G36-R75 PolarHBondContact O-NE 3.01Å; N71-R75 VanDerWaalsContact O-CD 3.23Å; N71-R75 WeakPolarHBondContact O-CD 3.42Å; N71-R75 VanDerWaalsContact O-CZ 3.31Å; N71-R75 PolarHBondContact O-NE 3.45Å; N71-R75 PolarHBondContact O-NH1 2.79Å; R75-L98 HydrophobicContact CB-CD1 4.14Å; R75-L98 HydrophobicContact CB-CD2 4.24Å; R75-L98 HydrophobicContact CB-CG 4.31Å; R75-L98 HydrophobicContact CG-CD1 4.23Å; R75-L98 VanDerWaalsContact NH2-CD1 3.27Å; R75-E101 IonicContact CZ-OE1 3.76Å; R75-E101 VanDerWaalsContact CZ-OE1 3.31Å; R75-E101 IonicContact CZ-OE2 3.39Å; R75-E101 IonicContact NH1-OE1 3.47Å; R75-E101 PolarHBondContact NH1-OE1 3.34Å; R75-E101 VanDerWaalsContact NH2-CD 3.26Å; R75-E101 IonicContact NH2-OE1 3.59Å; R75-E101 PolarHBondContact NH2-OE1 3.41Å; R75-E101 IonicContact NH2-OE2 2.69Å; R75-E101 PolarHBondContact NH2-OE2 3.38Å; R75-T102 HydrophobicContact CG-CG2 4.23Å; R75-T102 WeakPolarHBondContact CG-OG1 3.47Å; R75-N105 PolarHBondContact NH1-ND2 2.62Å
76G97.8Very high95.9Very high1 Ų145.8 Ų45.81%0.0122%0.215CC..  trans-97.1146.5169.800000112G36 E37 P78G36-G76 WeakPolarHBondContact CA-O 3.47Å; G36-G76 PolarHBondContact N-O 2.98Å; E37-G76 WeakPolarHBondContact O-CA 3.42Å; E37-G76 PolarHBondContact O-N 3.42Å; G76-P78 VanDerWaalsContact C-CD 3.4Å; G76-P78 WeakPolarHBondContact O-CD 3.31Å
77A97.7Very high95.9Very high31 Ų3137.2 Ų37.226%0.25618%0.178SC..  trans-121.867.3174.300000110.2W35 F91 L95 L98W35-A77 HydrophobicContact CH2-CB 3.92Å; W35-A77 HydrophobicContact CZ3-CB 4.04Å; A77-F91 HydrophobicContact CB-CE2 4.48Å; A77-L95 HydrophobicContact CB-CD1 3.97Å; A77-L98 HydrophobicContact CB-CD2 4.07Å
78P96.1Very high95.9Very high21 Ų2135.1 Ų35.114%0.13617%0.17CC..  trans-64.7151.4176.530.9-36.7000110.9P33 G34 W35 I41 G76P33-P78 WeakPolarHBondContact O-CG 3.5Å; G34-P78 WeakPolarHBondContact O-CG 3.12Å; W35-P78 WeakPolarHBondContact CZ3-O 3.45Å; I41-P78 HydrophobicContact CG2-CB 4.26Å; G76-P78 VanDerWaalsContact C-CD 3.4Å; G76-P78 WeakPolarHBondContact O-CD 3.31Å
79Y95.2Very high95.6Very high47 Ų4739.7 Ų39.718%0.18420%0.199CC..  trans-146.2169.917957.6-87000110.4F32 F81 F91 M118 G119 Y122F32-Y79 WeakPolarHBondContact CD1-O 3.43Å; Y79-F81 HydrophobicContact CE2-CB 4.2Å; Y79-F81 PolarHBondContact O-N 3.43Å; Y79-F91 AromaticContact CD1-CE2 3.81Å; Y79-F91 HydrophobicContact CD1-CE2 3.81Å; Y79-F91 HydrophobicContact CD1-CZ 4.17Å; Y79-F91 HydrophobicContact CG-CD2 4.38Å; Y79-F91 HydrophobicContact CG-CE2 4.04Å; Y79-M118 HydrophobicContact CE2-CE 3.85Å; Y79-G119 PolarHBondContact OH-N 2.88Å; Y79-Y122 HydrophobicContact CD2-CD1 4.35Å; Y79-Y122 AromaticContact CD2-CE1 3.72Å; Y79-Y122 HydrophobicContact CD2-CE1 3.72Å; Y79-Y122 HydrophobicContact CD2-CE2 4.39Å; Y79-Y122 AromaticContact CD2-CZ 3.74Å; Y79-Y122 HydrophobicContact CE1-CD1 4.47Å; Y79-Y122 HydrophobicContact CE2-CD1 4.27Å; Y79-Y122 HydrophobicContact CE2-CD2 4.18Å; Y79-Y122 AromaticContact CE2-CE1 3.87Å; Y79-Y122 HydrophobicContact CE2-CE1 3.87Å; Y79-Y122 AromaticContact CE2-CE2 3.77Å; Y79-Y122 HydrophobicContact CE2-CE2 3.77Å; Y79-Y122 HydrophobicContact CE2-CG 4.41Å; Y79-Y122 AromaticContact CE2-CZ 3.59Å; Y79-Y122 HydrophobicContact CG-CD1 4.5Å; Y79-Y122 HydrophobicContact CG-CE1 4.14Å
80D95.4Very high95.4Very high13 Ų1339.3 Ų39.37%0.0720%0.198CC..  trans-7097170.1-171.9-11.8000109.7F32 R82 K83 N88F32-D80 HydrophobicContact CD2-CB 3.67Å; F32-D80 HydrophobicContact CE2-CB 3.44Å; F32-D80 VanDerWaalsContact CE2-CB 3.44Å; F32-D80 VanDerWaalsContact CE2-OD1 3.29Å; F32-D80 WeakPolarHBondContact CE2-OD1 3.49Å; F32-D80 HydrophobicContact CG-CB 4.4Å; F32-D80 HydrophobicContact CZ-CB 3.99Å; F32-D80 WeakPolarHBondContact CZ-OD1 3.44Å; D80-R82 PolarHBondContact O-N 2.99Å; D80-R82 VanDerWaalsContact O-N 3.16Å; D80-R82 WeakPolarHBondContact OD1-CB 3.42Å; D80-R82 VanDerWaalsContact OD1-CG 3.27Å; D80-R82 WeakPolarHBondContact OD1-CG 3.44Å; D80-R82 IonicContact OD1-CZ 3.88Å; D80-R82 PolarHBondContact OD1-N 2.83Å; D80-R82 IonicContact OD1-NE 2.96Å; D80-R82 PolarHBondContact OD1-NE 2.86Å; D80-R82 IonicContact OD1-NH2 3.15Å; D80-R82 IonicContact OD2-CZ 2.72Å; D80-R82 IonicContact OD2-NE 3.84Å; D80-R82 PolarHBondContact OD2-NE 2.99Å; D80-R82 IonicContact OD2-NH2 3.82Å; D80-R82 PolarHBondContact OD2-NH2 2.95Å; D80-K83 HydrophobicContact CB-CB 4.43Å; D80-K83 HydrophobicContact CB-CD 4.47Å; D80-K83 HydrophobicContact CB-CG 4.37Å; D80-K83 PolarHBondContact O-N 2.64Å; D80-K83 VanDerWaalsContact O-N 3.11Å; D80-K83 WeakPolarHBondContact OD2-CE 3.36Å; D80-N88 WeakPolarHBondContact CB-OD1 3.23Å; D80-N88 PolarHBondContact O-ND2 3.4Å; D80-N88 VanDerWaalsContact O-ND2 3.13Å
81F94.1Very high95.3Very high101 Ų10137.3 Ų37.344%0.44319%0.189SC..THydrogen-bonded Turntrans-68.3-9.4-177.864.2-103.8000113.6F11 F32 Y79 S184F11-F81 HydrophobicContact CE1-CE2 4.09Å; F11-F81 AromaticContact CE1-CZ 3.72Å; F11-F81 HydrophobicContact CE1-CZ 3.72Å; F11-F81 HydrophobicContact CZ-CE1 4.37Å; F11-F81 AromaticContact CZ-CZ 3.85Å; F11-F81 HydrophobicContact CZ-CZ 3.85Å; F32-F81 HydrophobicContact CD1-CD1 4.33Å; F32-F81 HydrophobicContact CD1-CE1 4.45Å; F32-F81 AromaticContact CE1-CD1 3.64Å; F32-F81 HydrophobicContact CE1-CD1 3.64Å; F32-F81 AromaticContact CE1-CE1 3.57Å; F32-F81 HydrophobicContact CE1-CE1 3.57Å; F32-F81 HydrophobicContact CE1-CZ 4.43Å; F32-F81 HydrophobicContact CZ-CE1 4.41Å; Y79-F81 HydrophobicContact CE2-CB 4.2Å; Y79-F81 PolarHBondContact O-N 3.43Å; F81-S184 WeakPolarHBondContact O-CB 3.41Å; F81-S184 PolarHBondContact O-OG 3.37Å
82R95.2Very high95.1Very high0 Ų035.4 Ų35.40%018%0.179CC..THydrogen-bonded Turntrans-74.7-20.4174.2-52.8174.7-691653.7111.7F11 L13 N24 D80 F182 S183 S184F11-R82 HydrophobicContact CD1-CG 4.43Å; F11-R82 HydrophobicContact CE1-CG 3.91Å; F11-R82 HydrophobicContact CZ-CG 4.38Å; F11-R82 VanDerWaalsContact O-CD 3.23Å; F11-R82 WeakPolarHBondContact O-CD 3.37Å; F11-R82 PolarHBondContact O-NH1 3.3Å; L13-R82 HydrophobicContact CD1-CB 3.6Å; L13-R82 HydrophobicContact CG-CB 4.47Å; N24-R82 PolarHBondContact OD1-NH1 2.7Å; N24-R82 PolarHBondContact OD1-NH2 3.19Å; D80-R82 PolarHBondContact O-N 2.99Å; D80-R82 VanDerWaalsContact O-N 3.16Å; D80-R82 WeakPolarHBondContact OD1-CB 3.42Å; D80-R82 VanDerWaalsContact OD1-CG 3.27Å; D80-R82 WeakPolarHBondContact OD1-CG 3.44Å; D80-R82 IonicContact OD1-CZ 3.88Å; D80-R82 PolarHBondContact OD1-N 2.83Å; D80-R82 IonicContact OD1-NE 2.96Å; D80-R82 PolarHBondContact OD1-NE 2.86Å; D80-R82 IonicContact OD1-NH2 3.15Å; D80-R82 IonicContact OD2-CZ 2.72Å; D80-R82 IonicContact OD2-NE 3.84Å; D80-R82 PolarHBondContact OD2-NE 2.99Å; D80-R82 IonicContact OD2-NH2 3.82Å; D80-R82 PolarHBondContact OD2-NH2 2.95Å; R82-F182 HydrophobicContact CB-CB 4.5Å; R82-F182 HydrophobicContact CB-CD1 3.62Å; R82-F182 HydrophobicContact CB-CD2 4.33Å; R82-F182 HydrophobicContact CB-CE1 3.86Å; R82-F182 HydrophobicContact CB-CG 3.89Å; R82-F182 HydrophobicContact CB-CZ 4.31Å; R82-F182 HydrophobicContact CG-CD1 3.87Å; R82-F182 HydrophobicContact CG-CD2 4.25Å; R82-F182 HydrophobicContact CG-CE1 3.58Å; R82-F182 HydrophobicContact CG-CE2 3.96Å; R82-F182 HydrophobicContact CG-CG 4.22Å; R82-F182 HydrophobicContact CG-CZ 3.62Å; R82-F182 CarbonylContact O-C 3.57Å; R82-F182 WeakPolarHBondContact O-CA 3.41Å; R82-S183 PolarHBondContact O-N 3.05Å; R82-S183 PolarHBondContact O-OG 3.2Å; R82-S184 PolarHBondContact O-N 2.68Å; R82-S184 PolarHBondContact O-OG 2.77Å
83K95.7Very high95.1Very high22 Ų2236.7 Ų36.710%0.09619%0.19CC..SBendtrans-110.9169.1-170.1-63.3-165.2178.9-151.60112.7L13 S22 D80 E87 Y122 S183L13-K83 HydrophobicContact CD1-CG 3.95Å; S22-K83 WeakPolarHBondContact O-CE 3.47Å; S22-K83 PolarHBondContact O-NZ 3.45Å; D80-K83 HydrophobicContact CB-CB 4.43Å; D80-K83 HydrophobicContact CB-CD 4.47Å; D80-K83 HydrophobicContact CB-CG 4.37Å; D80-K83 PolarHBondContact O-N 2.64Å; D80-K83 VanDerWaalsContact O-N 3.11Å; D80-K83 WeakPolarHBondContact OD2-CE 3.36Å; K83-E87 HydrophobicContact CB-CB 4.09Å; K83-E87 HydrophobicContact CD-CB 4.01Å; K83-E87 HydrophobicContact CG-CB 4.47Å; K83-Y122 VanDerWaalsContact C-OH 3.3Å; K83-Y122 PolarHBondContact O-OH 3.48Å; K83-S183 WeakPolarHBondContact CA-OG 3.26Å
84L95.2Very high95.1Very high0 Ų039.4 Ų39.40%020%0.2CC..  trans-102.1164.3172.9-63.9174.8000111.1Y86 E87 N88 Y122 S183 S187 A233 F237L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 HydrophobicContact CB-CD1 4.19Å; L84-Y86 HydrophobicContact CB-CE1 3.75Å; L84-Y86 HydrophobicContact CB-CE2 4.39Å; L84-Y86 HydrophobicContact CD1-CE1 3.82Å; L84-Y86 WeakPolarHBondContact CD1-OH 3.42Å; L84-Y86 HydrophobicContact CG-CE1 4.44Å; L84-Y86 PolarHBondContact O-N 3.23Å; L84-E87 WeakPolarHBondContact CB-OE2 3.27Å; L84-E87 PolarHBondContact N-OE2 2.94Å; L84-E87 WeakPolarHBondContact O-CB 3.26Å; L84-E87 PolarHBondContact O-N 2.85Å; L84-N88 PolarHBondContact O-N 2.82Å; L84-Y122 WeakPolarHBondContact CA-OH 3.31Å; L84-S183 PolarHBondContact N-OG 2.75Å; L84-S187 WeakPolarHBondContact CD2-OG 3.44Å; L84-A233 HydrophobicContact CD1-CB 3.42Å; L84-A233 VanDerWaalsContact CD1-CB 3.42Å; L84-F237 HydrophobicContact CD2-CD1 3.55Å; L84-F237 HydrophobicContact CD2-CE1 3.72Å; L84-F237 HydrophobicContact CD2-CG 4.29Å
85P93Very high95.1Very high6 Ų638.5 Ų38.54%0.03920%0.195CC..THydrogen-bonded Turntrans-60.6-34.3-172-25.933.2000115.6E87 N88 M92 Y122 F237P85-E87 PolarHBondContact O-N 3.4Å; P85-N88 CarbonylContact O-C 3.57Å; P85-N88 PolarHBondContact O-N 2.96Å; P85-M92 HydrophobicContact CB-CE 3.44Å; P85-M92 VanDerWaalsContact CB-CE 3.44Å; P85-M92 HydrophobicContact CG-CE 4Å; P85-Y122 HydrophobicContact CB-CD1 4.43Å; P85-Y122 HydrophobicContact CB-CE1 4.08Å; P85-Y122 HydrophobicContact CG-CD1 3.78Å; P85-Y122 HydrophobicContact CG-CD2 4.08Å; P85-Y122 HydrophobicContact CG-CE1 3.57Å; P85-Y122 HydrophobicContact CG-CE2 3.87Å; P85-Y122 HydrophobicContact CG-CG 4.03Å; P85-F237 VanDerWaalsContact CD-CD2 3.41Å; P85-F237 HydrophobicContact CG-CD2 3.37Å; P85-F237 HydrophobicContact CG-CE2 3.5Å; P85-F237 VanDerWaalsContact CG-CE2 3.5Å; P85-F237 HydrophobicContact CG-CG 4.21Å; P85-F237 HydrophobicContact CG-CZ 4.41Å
86Y92.6Very high95.1Very high42 Ų4239.2 Ų39.217%0.16520%0.2CC..THydrogen-bonded Turntrans-69.4-17.7178.154.2-102.1000112.6D21 L84 K232 E236 F237D21-Y86 WeakPolarHBondContact OD1-CD2 3.45Å; D21-Y86 WeakPolarHBondContact OD1-CE2 3.48Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 HydrophobicContact CB-CD1 4.19Å; L84-Y86 HydrophobicContact CB-CE1 3.75Å; L84-Y86 HydrophobicContact CB-CE2 4.39Å; L84-Y86 HydrophobicContact CD1-CE1 3.82Å; L84-Y86 WeakPolarHBondContact CD1-OH 3.42Å; L84-Y86 HydrophobicContact CG-CE1 4.44Å; L84-Y86 PolarHBondContact O-N 3.23Å; Y86-K232 HydrophobicContact CE2-CD 4.13Å; Y86-E236 HydrophobicContact CD1-CB 3.7Å; Y86-E236 HydrophobicContact CE1-CB 3.87Å; Y86-F237 HydrophobicContact CD1-CB 4.49Å; Y86-F237 HydrophobicContact CE1-CB 4.26Å
87E94.6Very high95.2Very high20 Ų2042.6 Ų42.69%0.09322%0.223CC..THydrogen-bonded Turntrans-95.6-22.6175.4-50.1169.8106.500111.7D21 S22 K83 L84 P85 T89 S183D21-E87 HydrophobicContact CB-CG 4.39Å; S22-E87 WeakPolarHBondContact CA-OE1 3.4Å; S22-E87 WeakPolarHBondContact CB-OE1 3.22Å; S22-E87 PolarHBondContact N-OE1 3.29Å; S22-E87 VanDerWaalsContact OG-CD 3.23Å; S22-E87 PolarHBondContact OG-OE1 3.14Å; K83-E87 HydrophobicContact CB-CB 4.09Å; K83-E87 HydrophobicContact CD-CB 4.01Å; K83-E87 HydrophobicContact CG-CB 4.47Å; L84-E87 WeakPolarHBondContact CB-OE2 3.27Å; L84-E87 PolarHBondContact N-OE2 2.94Å; L84-E87 WeakPolarHBondContact O-CB 3.26Å; L84-E87 PolarHBondContact O-N 2.85Å; P85-E87 PolarHBondContact O-N 3.4Å; E87-T89 PolarHBondContact O-N 2.96Å; E87-S183 WeakPolarHBondContact OE2-CB 3.48Å; E87-S183 PolarHBondContact OE2-OG 2.87Å
88N93.5Very high95.2Very high18 Ų1841.5 Ų41.510%0.09621%0.213CC..SBendtrans-8762.3168.6-78.8-51.8000109.4D80 L84 P85 D90 F91 Y122D80-N88 WeakPolarHBondContact CB-OD1 3.23Å; D80-N88 PolarHBondContact O-ND2 3.4Å; D80-N88 VanDerWaalsContact O-ND2 3.13Å; L84-N88 PolarHBondContact O-N 2.82Å; P85-N88 CarbonylContact O-C 3.57Å; P85-N88 PolarHBondContact O-N 2.96Å; N88-D90 PolarHBondContact O-N 3.43Å; N88-F91 HydrophobicContact CB-CB 3.85Å; N88-F91 VanDerWaalsContact O-CB 3.23Å; N88-F91 WeakPolarHBondContact O-CB 3.32Å; N88-F91 PolarHBondContact O-N 2.9Å; N88-Y122 PolarHBondContact ND2-OH 3.41Å
89T89Confident95.3Very high116 Ų11640.7 Ų40.771%0.71221%0.207SC*.THydrogen-bonded Turntrans-56.8-26.9-162.8560000115.3E87E87-T89 PolarHBondContact O-N 2.96Å
90D93.2Very high95.5Very high77 Ų7740.9 Ų40.941%0.41221%0.21SC..THydrogen-bonded Turntrans-93.6-9178.570.8-24.1000113.7N88 M92 K94N88-D90 PolarHBondContact O-N 3.43Å; D90-M92 PolarHBondContact O-N 3.5Å; D90-K94 HydrophobicContact CB-CD 3.84Å; D90-K94 VanDerWaalsContact CG-CD 3.47Å; D90-K94 WeakPolarHBondContact O-CB 3.44Å; D90-K94 WeakPolarHBondContact O-CD 3.16Å; D90-K94 VanDerWaalsContact O-CG 3.24Å; D90-K94 WeakPolarHBondContact O-CG 3.39Å; D90-K94 PolarHBondContact O-N 3.34Å; D90-K94 WeakPolarHBondContact OD2-CD 3.05Å; D90-K94 IonicContact OD2-NZ 3.41Å; D90-K94 PolarHBondContact OD2-NZ 3.41Å
91F94.9Very high95.7Very high11 Ų1144.1 Ų44.15%0.04823%0.225CC..Hα-helixtrans-64.1-44.4-170.4176.8-93.1000112.6W35 A77 Y79 N88 K94 L95 Y122W35-F91 HydrophobicContact CH2-CD2 4.06Å; W35-F91 HydrophobicContact CH2-CE2 4.02Å; W35-F91 AromaticContact CZ3-CD2 3.81Å; W35-F91 HydrophobicContact CZ3-CD2 3.81Å; W35-F91 AromaticContact CZ3-CE2 3.82Å; W35-F91 HydrophobicContact CZ3-CE2 3.82Å; A77-F91 HydrophobicContact CB-CE2 4.48Å; Y79-F91 AromaticContact CD1-CE2 3.81Å; Y79-F91 HydrophobicContact CD1-CE2 3.81Å; Y79-F91 HydrophobicContact CD1-CZ 4.17Å; Y79-F91 HydrophobicContact CG-CD2 4.38Å; Y79-F91 HydrophobicContact CG-CE2 4.04Å; N88-F91 HydrophobicContact CB-CB 3.85Å; N88-F91 VanDerWaalsContact O-CB 3.23Å; N88-F91 WeakPolarHBondContact O-CB 3.32Å; N88-F91 PolarHBondContact O-N 2.9Å; F91-K94 PolarHBondContact O-N 3.5Å; F91-L95 HydrophobicContact CE1-CB 4.33Å; F91-L95 HydrophobicContact CE1-CD2 3.73Å; F91-L95 HydrophobicContact CZ-CD2 4.01Å; F91-L95 WeakPolarHBondContact O-CB 3.32Å; F91-L95 PolarHBondContact O-N 3.32Å; F91-Y122 HydrophobicContact CD1-CD1 4.02Å; F91-Y122 HydrophobicContact CD1-CE1 4.33Å; F91-Y122 AromaticContact CE1-CD1 3.65Å; F91-Y122 HydrophobicContact CE1-CD1 3.65Å; F91-Y122 HydrophobicContact CE1-CE1 4.35Å; F91-Y122 HydrophobicContact CZ-CD1 4.02Å
92M94.1Very high95.9Very high31 Ų3139.8 Ų39.815%0.15321%0.207CC..Hα-helixtrans-64.8-43.1-176.1-67.9-67.6173.500111.6P85 D90 L95 K96 N125 F126P85-M92 HydrophobicContact CB-CE 3.44Å; P85-M92 VanDerWaalsContact CB-CE 3.44Å; P85-M92 HydrophobicContact CG-CE 4Å; D90-M92 PolarHBondContact O-N 3.5Å; M92-L95 PolarHBondContact O-N 2.98Å; M92-K96 WeakPolarHBondContact O-CB 3.4Å; M92-K96 PolarHBondContact O-N 3.33Å; M92-N125 HydrophobicContact CE-CB 4.38Å; M92-N125 WeakPolarHBondContact CE-OD1 3.47Å; M92-F126 HydrophobicContact CE-CB 4.14Å; M92-F126 HydrophobicContact SD-CB 3.6Å; M92-F126 VanDerWaalsContact SD-CB 3.6Å; M92-F126 HydrophobicContact SD-CD2 3.6Å; M92-F126 VanDerWaalsContact SD-CD2 3.6Å; M92-F126 HydrophobicContact SD-CG 4.07Å
93D96.4Very high96Very high113 Ų11341.5 Ų41.560%0.60421%0.213SC*.Hα-helixtrans-70.5-39.9178.3-68.3-28.7000112K96 S97D93-K96 PolarHBondContact O-N 2.67Å; D93-S97 WeakPolarHBondContact O-CB 3.3Å; D93-S97 PolarHBondContact O-N 2.96Å; D93-S97 PolarHBondContact O-OG 2.95Å
94K97.4Very high96.1Very high76 Ų7647.2 Ų47.233%0.3324%0.238SC..Hα-helixtrans-66.1-41.8175.1-72.6167.575-1760111.4W35 D90 F91 S97 L98W35-K94 HydrophobicContact CH2-CB 3.86Å; W35-K94 HydrophobicContact CZ2-CB 3.4Å; W35-K94 VanDerWaalsContact CZ2-CB 3.4Å; W35-K94 WeakPolarHBondContact CZ2-O 3.45Å; D90-K94 HydrophobicContact CB-CD 3.84Å; D90-K94 VanDerWaalsContact CG-CD 3.47Å; D90-K94 WeakPolarHBondContact O-CB 3.44Å; D90-K94 WeakPolarHBondContact O-CD 3.16Å; D90-K94 VanDerWaalsContact O-CG 3.24Å; D90-K94 WeakPolarHBondContact O-CG 3.39Å; D90-K94 PolarHBondContact O-N 3.34Å; D90-K94 WeakPolarHBondContact OD2-CD 3.05Å; D90-K94 IonicContact OD2-NZ 3.41Å; D90-K94 PolarHBondContact OD2-NZ 3.41Å; F91-K94 PolarHBondContact O-N 3.5Å; K94-S97 PolarHBondContact O-N 2.73Å; K94-L98 VanDerWaalsContact O-CB 3.31Å; K94-L98 WeakPolarHBondContact O-CB 3.39Å; K94-L98 PolarHBondContact O-N 2.86Å
95L98.3Very high96.3Very high10 Ų1049.1 Ų49.15%0.05225%0.249CC..Hα-helixtrans-62.7-43.7177.2179.458.7000110.8W35 A77 F91 M92 S97 L98 V99 F126W35-L95 HydrophobicContact CH2-CB 4.29Å; A77-L95 HydrophobicContact CB-CD1 3.97Å; F91-L95 HydrophobicContact CE1-CB 4.33Å; F91-L95 HydrophobicContact CE1-CD2 3.73Å; F91-L95 HydrophobicContact CZ-CD2 4.01Å; F91-L95 WeakPolarHBondContact O-CB 3.32Å; F91-L95 PolarHBondContact O-N 3.32Å; M92-L95 PolarHBondContact O-N 2.98Å; L95-S97 PolarHBondContact O-N 2.72Å; L95-L98 PolarHBondContact O-N 3.04Å; L95-V99 HydrophobicContact CD1-CG2 4.45Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 2.96Å; L95-F126 HydrophobicContact CB-CE2 4.39Å; L95-F126 HydrophobicContact CD2-CB 4.08Å; L95-F126 HydrophobicContact CD2-CD1 3.71Å; L95-F126 HydrophobicContact CD2-CD2 3.96Å; L95-F126 HydrophobicContact CD2-CE1 4.1Å; L95-F126 HydrophobicContact CD2-CE2 4.32Å; L95-F126 HydrophobicContact CD2-CG 3.63Å; L95-F126 HydrophobicContact CD2-CZ 4.39Å; L95-F126 HydrophobicContact CG-CD1 4.29Å; L95-F126 HydrophobicContact CG-CD2 4.4Å; L95-F126 HydrophobicContact CG-CE1 4.18Å; L95-F126 HydrophobicContact CG-CE2 4.27Å; L95-F126 HydrophobicContact CG-CG 4.4Å; L95-F126 HydrophobicContact CG-CZ 4.17Å
96K98.5Very high96.4Very high67 Ų6749.2 Ų49.229%0.29125%0.25SS..Hα-helixtrans-57.3-49.7173.9-171176.8-178.8175.80111.7M92 D93 L98 V99 E100 F126 W134M92-K96 WeakPolarHBondContact O-CB 3.4Å; M92-K96 PolarHBondContact O-N 3.33Å; D93-K96 PolarHBondContact O-N 2.67Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.41Å; K96-V99 PolarHBondContact O-N 3.04Å; K96-E100 WeakPolarHBondContact O-CG 3.5Å; K96-E100 PolarHBondContact O-N 3.15Å; K96-F126 HydrophobicContact CB-CE2 3.99Å; K96-F126 HydrophobicContact CB-CZ 4.1Å; K96-W134 HydrophobicContact CB-CZ2 4.49Å; K96-W134 VanDerWaalsContact CE-CD1 3.5Å; K96-W134 VanDerWaalsContact CE-NE1 3.32Å; K96-W134 HydrophobicContact CG-CZ2 3.73Å
97S98.6Very high96.5Very high72 Ų7253.6 Ų53.650%0.50328%0.276SS..Hα-helixtrans-61.5-41.3178.8-57.30000111.9D93 K94 L95 V99 E100 E101D93-S97 WeakPolarHBondContact O-CB 3.3Å; D93-S97 PolarHBondContact O-N 2.96Å; D93-S97 PolarHBondContact O-OG 2.95Å; K94-S97 PolarHBondContact O-N 2.73Å; L95-S97 PolarHBondContact O-N 2.72Å; S97-V99 PolarHBondContact O-N 2.86Å; S97-E100 PolarHBondContact O-N 2.83Å; S97-E101 WeakPolarHBondContact O-CB 2.99Å; S97-E101 PolarHBondContact O-N 2.95Å
98L98.7Very high96.6Very high9 Ų961.4 Ų61.45%0.04731%0.305CS..Hα-helixtrans-63.4-41.2177.6-174.967000111.5W35 R75 A77 K94 L95 K96 E101 T102W35-L98 HydrophobicContact CZ2-CB 4.08Å; W35-L98 HydrophobicContact CZ2-CD2 3.91Å; R75-L98 HydrophobicContact CB-CD1 4.14Å; R75-L98 HydrophobicContact CB-CD2 4.24Å; R75-L98 HydrophobicContact CB-CG 4.31Å; R75-L98 HydrophobicContact CG-CD1 4.23Å; R75-L98 VanDerWaalsContact NH2-CD1 3.27Å; A77-L98 HydrophobicContact CB-CD2 4.07Å; K94-L98 VanDerWaalsContact O-CB 3.31Å; K94-L98 WeakPolarHBondContact O-CB 3.39Å; K94-L98 PolarHBondContact O-N 2.86Å; L95-L98 PolarHBondContact O-N 3.04Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.41Å; L98-E101 PolarHBondContact O-N 3.11Å; L98-T102 VanDerWaalsContact O-CB 3.31Å; L98-T102 WeakPolarHBondContact O-CB 2.98Å; L98-T102 PolarHBondContact O-N 3.14Å; L98-T102 PolarHBondContact O-OG1 3.11Å
99V98.8Very high96.7Very high3 Ų366.1 Ų66.12%0.01832%0.321CS..Hα-helixtrans-62.3-46.2174.6167.90000111L95 K96 S97 E101 T102 Y103 V111 L113 W134 I139L95-V99 HydrophobicContact CD1-CG2 4.45Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 2.96Å; K96-V99 PolarHBondContact O-N 3.04Å; S97-V99 PolarHBondContact O-N 2.86Å; V99-E101 PolarHBondContact O-N 3.48Å; V99-T102 PolarHBondContact O-N 2.95Å; V99-Y103 WeakPolarHBondContact O-CB 3.41Å; V99-Y103 PolarHBondContact O-N 2.93Å; V99-V111 HydrophobicContact CG1-CB 4.18Å; V99-V111 HydrophobicContact CG1-CG2 4.09Å; V99-L113 HydrophobicContact CG2-CD1 4.46Å; V99-L113 HydrophobicContact CG2-CD2 3.87Å; V99-W134 HydrophobicContact CB-CH2 4Å; V99-W134 HydrophobicContact CB-CZ2 3.96Å; V99-W134 HydrophobicContact CG1-CH2 3.61Å; V99-W134 HydrophobicContact CG1-CZ2 3.67Å; V99-W134 HydrophobicContact CG2-CH2 4.28Å; V99-I139 HydrophobicContact CG1-CD1 3.9Å
100E98.8Very high97.1Very high51 Ų5163.5 Ų63.524%0.23831%0.306CS..Hα-helixtrans-65.5-37.8-179.9-67.7-180-169.900112.7K96 S97 K104 W134 Y138K96-E100 WeakPolarHBondContact O-CG 3.5Å; K96-E100 PolarHBondContact O-N 3.15Å; S97-E100 PolarHBondContact O-N 2.83Å; E100-K104 WeakPolarHBondContact O-CG 3.36Å; E100-K104 PolarHBondContact O-N 2.82Å; E100-W134 HydrophobicContact CG-CZ2 4.48Å; E100-W134 PolarHBondContact OE1-NE1 3.42Å; E100-Y138 HydrophobicContact CB-CE1 4.13Å; E100-Y138 HydrophobicContact CG-CD1 4.07Å; E100-Y138 HydrophobicContact CG-CD2 4.43Å; E100-Y138 HydrophobicContact CG-CE1 3.74Å; E100-Y138 HydrophobicContact CG-CE2 4.14Å; E100-Y138 HydrophobicContact CG-CG 4.4Å
101E98.7Very high97.3Very high81 Ų8160.7 Ų60.738%0.37929%0.292SS..Hα-helixtrans-65.7-47.7172.8-167.6-159.7141.200110.9R75 S97 L98 V99 Y103 K104 N105R75-E101 IonicContact CZ-OE1 3.76Å; R75-E101 VanDerWaalsContact CZ-OE1 3.31Å; R75-E101 IonicContact CZ-OE2 3.39Å; R75-E101 IonicContact NH1-OE1 3.47Å; R75-E101 PolarHBondContact NH1-OE1 3.34Å; R75-E101 VanDerWaalsContact NH2-CD 3.26Å; R75-E101 IonicContact NH2-OE1 3.59Å; R75-E101 PolarHBondContact NH2-OE1 3.41Å; R75-E101 IonicContact NH2-OE2 2.69Å; R75-E101 PolarHBondContact NH2-OE2 3.38Å; S97-E101 WeakPolarHBondContact O-CB 2.99Å; S97-E101 PolarHBondContact O-N 2.95Å; L98-E101 PolarHBondContact O-N 3.11Å; V99-E101 PolarHBondContact O-N 3.48Å; E101-Y103 VanDerWaalsContact C-N 3.29Å; E101-Y103 PolarHBondContact O-N 2.95Å; E101-K104 WeakPolarHBondContact O-CB 3.15Å; E101-K104 PolarHBondContact O-N 2.84Å; E101-N105 VanDerWaalsContact O-CG 3.24Å; E101-N105 PolarHBondContact O-N 2.91Å; E101-N105 PolarHBondContact O-OD1 2.86Å; E101-N105 PolarHBondContact OE1-ND2 2.63Å
102T98.5Very high97.5Very high11 Ų1161.9 Ų61.97%0.06730%0.3CS..Hα-helixtrans-59.9-41.2179.1-53.70000111.1R75 L98 V99 K104 N105 A106 V111R75-T102 HydrophobicContact CG-CG2 4.23Å; R75-T102 WeakPolarHBondContact CG-OG1 3.47Å; L98-T102 VanDerWaalsContact O-CB 3.31Å; L98-T102 WeakPolarHBondContact O-CB 2.98Å; L98-T102 PolarHBondContact O-N 3.14Å; L98-T102 PolarHBondContact O-OG1 3.11Å; V99-T102 PolarHBondContact O-N 2.95Å; T102-K104 VanDerWaalsContact C-N 3.34Å; T102-K104 PolarHBondContact O-N 2.97Å; T102-N105 PolarHBondContact O-N 2.82Å; T102-A106 WeakPolarHBondContact O-CB 3.17Å; T102-A106 PolarHBondContact O-N 3.12Å; T102-V111 HydrophobicContact CG2-CG2 4.03Å
103Y98.3Very high97.7Very high35 Ų3561.4 Ų61.414%0.13730%0.298CS..Hα-helixtrans-57.3-45.1173.5174-94.1000112.1V99 E101 A106 R108 R109 P110 K137 Y138V99-Y103 WeakPolarHBondContact O-CB 3.41Å; V99-Y103 PolarHBondContact O-N 2.93Å; E101-Y103 VanDerWaalsContact C-N 3.29Å; E101-Y103 PolarHBondContact O-N 2.95Å; Y103-A106 PolarHBondContact O-N 3.21Å; Y103-R108 HydrophobicContact CD1-CB 4.42Å; Y103-R108 HydrophobicContact CD1-CG 4.43Å; Y103-R108 HydrophobicContact CE1-CB 3.65Å; Y103-R108 HydrophobicContact CE1-CG 3.74Å; Y103-R108 HydrophobicContact CE2-CB 4.24Å; Y103-R108 WeakPolarHBondContact CE2-O 3.41Å; Y103-R108 VanDerWaalsContact CZ-CA 3.46Å; Y103-R108 VanDerWaalsContact CZ-O 3.24Å; Y103-R108 WeakPolarHBondContact O-CA 3.2Å; Y103-R108 PolarHBondContact O-N 2.99Å; Y103-R108 WeakPolarHBondContact OH-CB 3.33Å; Y103-R108 PolarHBondContact OH-O 3.2Å; Y103-R109 VanDerWaalsContact CD2-C 3.5Å; Y103-R109 WeakPolarHBondContact CD2-O 3.23Å; Y103-P110 HydrophobicContact CE2-CG 4.4Å; Y103-K137 WeakPolarHBondContact CE2-O 3.44Å; Y103-Y138 AromaticContact CD1-CD1 3.99Å; Y103-Y138 HydrophobicContact CD1-CD1 3.99Å; Y103-Y138 AromaticContact CD1-CE1 3.8Å; Y103-Y138 HydrophobicContact CD1-CE1 3.8Å; Y103-Y138 HydrophobicContact CD2-CD1 4.05Å; Y103-Y138 HydrophobicContact CE1-CE1 4.27Å; Y103-Y138 AromaticContact CG-CD1 3.7Å; Y103-Y138 HydrophobicContact CG-CD1 3.7Å; Y103-Y138 HydrophobicContact CG-CE1 4Å
104K98.2Very high97.7Very high142 Ų14258 Ų5862%0.61728%0.28SS*.Hα-helixtrans-65.1-47.3177.1-69.3171.4-174.7173.70111.1E100 E101 T102 A106 N107E100-K104 WeakPolarHBondContact O-CG 3.36Å; E100-K104 PolarHBondContact O-N 2.82Å; E101-K104 WeakPolarHBondContact O-CB 3.15Å; E101-K104 PolarHBondContact O-N 2.84Å; T102-K104 VanDerWaalsContact C-N 3.34Å; T102-K104 PolarHBondContact O-N 2.97Å; K104-A106 PolarHBondContact O-N 3.08Å; K104-N107 PolarHBondContact O-N 3.18Å; K104-N107 VanDerWaalsContact O-N 3.17Å
105N97.5Very high97.8Very high41 Ų4154.6 Ų54.622%0.21927%0.266CS..Hα-helixtrans-59.9-35.1178.5-66.1-11.3000112F72 R75 E101 T102 N107F72-N105 HydrophobicContact CD1-CB 4.16Å; F72-N105 HydrophobicContact CD2-CB 4.04Å; F72-N105 HydrophobicContact CE1-CB 3.81Å; F72-N105 HydrophobicContact CE2-CB 3.69Å; F72-N105 WeakPolarHBondContact CE2-OD1 3.19Å; F72-N105 HydrophobicContact CG-CB 4.27Å; F72-N105 HydrophobicContact CZ-CB 3.56Å; F72-N105 PolarHBondContact O-ND2 2.76Å; R75-N105 PolarHBondContact NH1-ND2 2.62Å; E101-N105 VanDerWaalsContact O-CG 3.24Å; E101-N105 PolarHBondContact O-N 2.91Å; E101-N105 PolarHBondContact O-OD1 2.86Å; E101-N105 PolarHBondContact OE1-ND2 2.63Å; T102-N105 PolarHBondContact O-N 2.82Å; N105-N107 PolarHBondContact O-N 3.21Å
106A95.8Very high97.8Very high8 Ų854.5 Ų54.57%0.06627%0.265CS..THydrogen-bonded Turntrans-83.521.6179.200000114F67 T73 T102 Y103 K104 R108 R109F67-A106 HydrophobicContact CZ-CB 3.93Å; T73-A106 HydrophobicContact CG2-CB 4.21Å; T102-A106 WeakPolarHBondContact O-CB 3.17Å; T102-A106 PolarHBondContact O-N 3.12Å; Y103-A106 PolarHBondContact O-N 3.21Å; K104-A106 PolarHBondContact O-N 3.08Å; A106-R108 PolarHBondContact O-N 3.32Å; A106-R109 HydrophobicContact CB-CB 4.25Å; A106-R109 WeakPolarHBondContact O-CB 3.43Å; A106-R109 WeakPolarHBondContact O-CD 3.23Å; A106-R109 VanDerWaalsContact O-CG 3.24Å; A106-R109 WeakPolarHBondContact O-CG 3.21Å; A106-R109 PolarHBondContact O-N 3.24Å
107N95.6Very high97.7Very high133 Ų13352.4 Ų52.471%0.71126%0.259SS*.THydrogen-bonded Turntrans53.449.2-176-166.132.7000113K104 N105 R109K104-N107 PolarHBondContact O-N 3.18Å; K104-N107 VanDerWaalsContact O-N 3.17Å; N105-N107 PolarHBondContact O-N 3.21Å; N107-R109 VanDerWaalsContact C-N 3.26Å; N107-R109 PolarHBondContact O-N 3.25Å
108R96.6Very high97.6Very high185 Ų18550 Ų5070%0.69824%0.24SC*.THydrogen-bonded Turntrans61.829.2177.5-59.1-176.4-176.6169.41.6114.3Y103 A106Y103-R108 HydrophobicContact CD1-CB 4.42Å; Y103-R108 HydrophobicContact CD1-CG 4.43Å; Y103-R108 HydrophobicContact CE1-CB 3.65Å; Y103-R108 HydrophobicContact CE1-CG 3.74Å; Y103-R108 HydrophobicContact CE2-CB 4.24Å; Y103-R108 WeakPolarHBondContact CE2-O 3.41Å; Y103-R108 VanDerWaalsContact CZ-CA 3.46Å; Y103-R108 VanDerWaalsContact CZ-O 3.24Å; Y103-R108 WeakPolarHBondContact O-CA 3.2Å; Y103-R108 PolarHBondContact O-N 2.99Å; Y103-R108 WeakPolarHBondContact OH-CB 3.33Å; Y103-R108 PolarHBondContact OH-O 3.2Å; A106-R108 PolarHBondContact O-N 3.32Å
109R95Very high97.5Very high116 Ų11650.2 Ų50.244%0.43824%0.244SC..PPolyproline II helixtrans-86.2130.3171.2-67.8176.7-179.6-162-3110.1Y103 A106 N107Y103-R109 VanDerWaalsContact CD2-C 3.5Å; Y103-R109 WeakPolarHBondContact CD2-O 3.23Å; A106-R109 HydrophobicContact CB-CB 4.25Å; A106-R109 WeakPolarHBondContact O-CB 3.43Å; A106-R109 WeakPolarHBondContact O-CD 3.23Å; A106-R109 VanDerWaalsContact O-CG 3.24Å; A106-R109 WeakPolarHBondContact O-CG 3.21Å; A106-R109 PolarHBondContact O-N 3.24Å; N107-R109 VanDerWaalsContact C-N 3.26Å; N107-R109 PolarHBondContact O-N 3.25Å
110P97Very high97.5Very high61 Ų6150 Ų5040%0.39624%0.243SC..PPolyproline II helixtrans-57.6144175.4-23.133.4000112.3Y103 Y138 K140Y103-P110 HydrophobicContact CE2-CG 4.4Å; P110-Y138 CarbonylContact C-O 3.58Å; P110-Y138 WeakPolarHBondContact CA-O 3.49Å; P110-K140 HydrophobicContact CB-CB 3.97Å
111V97.8Very high97.4Very high19 Ų1948 Ų4812%0.11523%0.233CC..EExtended strand (participates in β ladder)trans-86.9141.8-171.4178.20000110.8V99 T102 L113 Y138 I139 K140V99-V111 HydrophobicContact CG1-CB 4.18Å; V99-V111 HydrophobicContact CG1-CG2 4.09Å; T102-V111 HydrophobicContact CG2-CG2 4.03Å; V111-L113 HydrophobicContact CG1-CD2 4.33Å; V111-Y138 PolarHBondContact N-O 2.63Å; V111-I139 WeakPolarHBondContact O-CA 3.18Å; V111-K140 PolarHBondContact O-N 2.91Å
112V98Very high97.3Very high36 Ų3644.2 Ų44.222%0.21822%0.216CC..EExtended strand (participates in β ladder)trans-92.8122.9167.9173.40000108.7K140 S141 I143 V332V112-K140 HydrophobicContact CG2-CB 3.97Å; V112-K140 HydrophobicContact CG2-CD 3.98Å; V112-K140 HydrophobicContact CG2-CG 4.25Å; V112-S141 WeakPolarHBondContact CG1-OG 3.36Å; V112-S141 WeakPolarHBondContact CG2-OG 3.49Å; V112-I143 HydrophobicContact CG1-CD1 3.58Å; V112-I143 HydrophobicContact CG1-CG1 3.98Å; V112-V332 HydrophobicContact CB-CG1 4.27Å; V112-V332 HydrophobicContact CG1-CG1 4.26Å; V112-V332 HydrophobicContact CG2-CG1 4.09Å
113L98.4Very high97.2Very high20 Ų2044.4 Ų44.411%0.10522%0.217CC..EExtended strand (participates in β ladder)trans-98.8118.5173.7-70.4178.7000109.7V99 V111 T123 F126 L127 I139 S141 Y142 I143V99-L113 HydrophobicContact CG2-CD1 4.46Å; V99-L113 HydrophobicContact CG2-CD2 3.87Å; V111-L113 HydrophobicContact CG1-CD2 4.33Å; L113-T123 HydrophobicContact CB-CG2 3.78Å; L113-T123 HydrophobicContact CD1-CG2 4.08Å; L113-F126 HydrophobicContact CD1-CD1 4.17Å; L113-F126 HydrophobicContact CD1-CE1 4.04Å; L113-L127 HydrophobicContact CD1-CD2 3.9Å; L113-L127 HydrophobicContact CD1-CG 4.37Å; L113-I139 HydrophobicContact CD1-CD1 3.69Å; L113-I139 HydrophobicContact CG-CD1 4.06Å; L113-S141 PolarHBondContact N-O 2.9Å; L113-Y142 WeakPolarHBondContact O-CA 3.43Å; L113-I143 PolarHBondContact O-N 3.06Å
114L98.3Very high97.2Very high43 Ų4342.8 Ų42.823%0.22521%0.211CC..EExtended strand (participates in β ladder)trans-116.9114.3179.9-175166.6000108.9F55 L58 I143 V145 F324 V328F55-L114 HydrophobicContact CE1-CD2 3.82Å; F55-L114 HydrophobicContact CZ-CD2 4.34Å; L58-L114 HydrophobicContact CD2-CD1 3.74Å; L58-L114 HydrophobicContact CD2-CD2 4.46Å; L114-I143 WeakPolarHBondContact CA-O 3.47Å; L114-I143 HydrophobicContact CB-CB 4.25Å; L114-I143 HydrophobicContact CD1-CG2 4.48Å; L114-I143 HydrophobicContact CG-CB 4.11Å; L114-I143 HydrophobicContact CG-CG2 4.21Å; L114-V145 HydrophobicContact CD2-CG2 3.93Å; L114-V145 HydrophobicContact CG-CG2 4.1Å; L114-F324 HydrophobicContact CD1-CZ 3.93Å; L114-V328 HydrophobicContact CD1-CG1 4.36Å; L114-V328 HydrophobicContact CD1-CG2 4.15Å
115G98.2Very high97.1Very high4 Ų436.5 Ų36.54%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-101145.2172.300000110.2S120 I143 V145G115-S120 PolarHBondContact O-OG 2.99Å; G115-I143 PolarHBondContact N-O 3.28Å; G115-V145 WeakPolarHBondContact O-CB 3.44Å; G115-V145 WeakPolarHBondContact O-CG2 3.41Å; G115-V145 PolarHBondContact O-N 2.87Å
116H98.1Very high97Very high7 Ų734.5 Ų34.53%0.03217%0.173CC..EExtended strand (participates in β ladder)trans-119.5136.2168.5174-104.1000109.9Y54 F55 M118 G119 V145 H315 L319Y54-H116 AromaticContact CE2-CE1 3.71Å; Y54-H116 AromaticContact CE2-ND1 3.46Å; Y54-H116 WeakPolarHBondContact CE2-ND1 3.23Å; Y54-H116 AromaticContact CZ-CE1 4Å; Y54-H116 AromaticContact CZ-ND1 3.33Å; Y54-H116 VanDerWaalsContact CZ-ND1 3.33Å; Y54-H116 PolarHBondContact OH-ND1 3.28Å; F55-H116 HydrophobicContact CE2-CB 4.38Å; F55-H116 HydrophobicContact CZ-CB 3.79Å; H116-M118 PolarHBondContact O-N 3.49Å; H116-G119 WeakPolarHBondContact O-CA 3.44Å; H116-G119 PolarHBondContact O-N 2.93Å; H116-V145 CarbonylContact C-O 3.58Å; H116-V145 WeakPolarHBondContact CA-O 3.32Å; H116-V145 HydrophobicContact CB-CB 4.48Å; H116-H315 PolarHBondContact NE2-O 2.81Å; H116-L319 HydrophobicContact CB-CD1 4.3Å; H116-L319 HydrophobicContact CB-CD2 4.14Å
117S97.6Very high97.1Very high23 Ų2334.1 Ų34.116%0.16117%0.17CC..THydrogen-bonded Turntrans52.1-128.1-178.9-168.30000111G119 S120 V145 S146 P148 H315S117-G119 PolarHBondContact O-N 3.13Å; S117-G119 VanDerWaalsContact O-N 3.16Å; S117-S120 VanDerWaalsContact O-CB 3.23Å; S117-S120 WeakPolarHBondContact O-CB 3.18Å; S117-S120 PolarHBondContact O-N 3.23Å; S117-S120 PolarHBondContact O-OG 2.62Å; S117-V145 PolarHBondContact N-O 3Å; S117-S146 WeakPolarHBondContact CA-O 3.36Å; S117-P148 VanDerWaalsContact C-CD 3.49Å; S117-H315 WeakPolarHBondContact CB-NE2 3.44Å; S117-H315 PolarHBondContact OG-CE1 3.33Å; S117-H315 PolarHBondContact OG-NE2 3.38Å
118M96Very high97.1Very high23 Ų2330.2 Ų30.211%0.11315%0.149CC..Hα-helixtrans-58.3-26.3176.3-168174.276.200113.7Y79 H116 S120 L121 Y122 S184 T188 F237Y79-M118 HydrophobicContact CE2-CE 3.85Å; H116-M118 PolarHBondContact O-N 3.49Å; M118-S120 PolarHBondContact O-N 3.34Å; M118-L121 WeakPolarHBondContact O-CB 3.38Å; M118-L121 PolarHBondContact O-N 3.4Å; M118-Y122 HydrophobicContact CE-CE2 3.89Å; M118-Y122 HydrophobicContact CG-CD2 4.12Å; M118-Y122 HydrophobicContact CG-CE2 4.24Å; M118-Y122 PolarHBondContact O-N 3.04Å; M118-Y122 HydrophobicContact SD-CE2 4.38Å; M118-S184 VanDerWaalsContact SD-CB 3.58Å; M118-T188 HydrophobicContact CG-CG2 4.48Å; M118-T188 HydrophobicContact SD-CG2 4.23Å; M118-F237 HydrophobicContact CG-CZ 4.37Å
119G96.9Very high97Very high12 Ų1227.2 Ų27.212%0.12414%0.141CC..Hα-helixtrans-60-29173.200000113.2Y79 H116 S117 T123Y79-G119 PolarHBondContact OH-N 2.88Å; H116-G119 WeakPolarHBondContact O-CA 3.44Å; H116-G119 PolarHBondContact O-N 2.93Å; S117-G119 PolarHBondContact O-N 3.13Å; S117-G119 VanDerWaalsContact O-N 3.16Å; G119-T123 WeakPolarHBondContact O-CB 3.39Å; G119-T123 PolarHBondContact O-N 2.94Å; G119-T123 PolarHBondContact O-OG1 3.08Å
120S98Very high97.1Very high0 Ų023 Ų230%013%0.126CC..Hα-helixtrans-66.2-41172.4-55.90000111.8G115 S117 M118 T123 L124 Y142 V145 A147G115-S120 PolarHBondContact O-OG 2.99Å; S117-S120 VanDerWaalsContact O-CB 3.23Å; S117-S120 WeakPolarHBondContact O-CB 3.18Å; S117-S120 PolarHBondContact O-N 3.23Å; S117-S120 PolarHBondContact O-OG 2.62Å; M118-S120 PolarHBondContact O-N 3.34Å; S120-T123 PolarHBondContact O-N 2.9Å; S120-L124 WeakPolarHBondContact O-CB 3.49Å; S120-L124 PolarHBondContact O-N 3.18Å; S120-Y142 PolarHBondContact O-OH 3.38Å; S120-V145 PolarHBondContact OG-N 3.2Å; S120-V145 PolarHBondContact OG-O 3.3Å; S120-A147 VanDerWaalsContact CB-CB 3.42Å
121L97Very high97.1Very high7 Ų724.4 Ų24.44%0.03713%0.134CC..Hα-helixtrans-70-38.7178.1-55.5-177.4000111.5M118 T123 L124 N125 A147 P148 F149 F237 M238M118-L121 WeakPolarHBondContact O-CB 3.38Å; M118-L121 PolarHBondContact O-N 3.4Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 2.87Å; L121-L124 PolarHBondContact O-N 3.11Å; L121-N125 WeakPolarHBondContact O-CB 3.47Å; L121-N125 PolarHBondContact O-N 3Å; L121-A147 HydrophobicContact CD2-CB 4.43Å; L121-P148 HydrophobicContact CD1-CG 4.04Å; L121-F149 HydrophobicContact CD2-CD1 3.59Å; L121-F149 HydrophobicContact CD2-CE1 3.93Å; L121-F149 HydrophobicContact CD2-CG 4.31Å; L121-F237 HydrophobicContact CB-CE1 4.33Å; L121-F237 HydrophobicContact CB-CE2 4.1Å; L121-F237 HydrophobicContact CB-CZ 3.57Å; L121-M238 HydrophobicContact CD1-CE 3.84Å; L121-M238 HydrophobicContact CD1-SD 3.87Å
122Y96.4Very high97.1Very high2 Ų228.9 Ų28.91%0.00815%0.152CC..Hα-helixtrans-56.2-48.8169.5-96.7-110.8000111.7Y79 K83 L84 P85 N88 F91 M118 L124 N125 F126 F237Y79-Y122 HydrophobicContact CD2-CD1 4.35Å; Y79-Y122 AromaticContact CD2-CE1 3.72Å; Y79-Y122 HydrophobicContact CD2-CE1 3.72Å; Y79-Y122 HydrophobicContact CD2-CE2 4.39Å; Y79-Y122 AromaticContact CD2-CZ 3.74Å; Y79-Y122 HydrophobicContact CE1-CD1 4.47Å; Y79-Y122 HydrophobicContact CE2-CD1 4.27Å; Y79-Y122 HydrophobicContact CE2-CD2 4.18Å; Y79-Y122 AromaticContact CE2-CE1 3.87Å; Y79-Y122 HydrophobicContact CE2-CE1 3.87Å; Y79-Y122 AromaticContact CE2-CE2 3.77Å; Y79-Y122 HydrophobicContact CE2-CE2 3.77Å; Y79-Y122 HydrophobicContact CE2-CG 4.41Å; Y79-Y122 AromaticContact CE2-CZ 3.59Å; Y79-Y122 HydrophobicContact CG-CD1 4.5Å; Y79-Y122 HydrophobicContact CG-CE1 4.14Å; K83-Y122 VanDerWaalsContact C-OH 3.3Å; K83-Y122 PolarHBondContact O-OH 3.48Å; L84-Y122 WeakPolarHBondContact CA-OH 3.31Å; P85-Y122 HydrophobicContact CB-CD1 4.43Å; P85-Y122 HydrophobicContact CB-CE1 4.08Å; P85-Y122 HydrophobicContact CG-CD1 3.78Å; P85-Y122 HydrophobicContact CG-CD2 4.08Å; P85-Y122 HydrophobicContact CG-CE1 3.57Å; P85-Y122 HydrophobicContact CG-CE2 3.87Å; P85-Y122 HydrophobicContact CG-CG 4.03Å; N88-Y122 PolarHBondContact ND2-OH 3.41Å; F91-Y122 HydrophobicContact CD1-CD1 4.02Å; F91-Y122 HydrophobicContact CD1-CE1 4.33Å; F91-Y122 AromaticContact CE1-CD1 3.65Å; F91-Y122 HydrophobicContact CE1-CD1 3.65Å; F91-Y122 HydrophobicContact CE1-CE1 4.35Å; F91-Y122 HydrophobicContact CZ-CD1 4.02Å; M118-Y122 HydrophobicContact CE-CE2 3.89Å; M118-Y122 HydrophobicContact CG-CD2 4.12Å; M118-Y122 HydrophobicContact CG-CE2 4.24Å; M118-Y122 PolarHBondContact O-N 3.04Å; M118-Y122 HydrophobicContact SD-CE2 4.38Å; Y122-L124 VanDerWaalsContact C-N 3.35Å; Y122-L124 PolarHBondContact O-N 2.85Å; Y122-N125 PolarHBondContact O-N 3.03Å; Y122-F126 WeakPolarHBondContact O-CB 3.29Å; Y122-F126 PolarHBondContact O-N 3.25Å; Y122-F237 AromaticContact CD2-CE2 3.79Å; Y122-F237 HydrophobicContact CD2-CE2 3.79Å; Y122-F237 AromaticContact CD2-CZ 3.61Å; Y122-F237 HydrophobicContact CD2-CZ 3.61Å; Y122-F237 HydrophobicContact CE2-CE2 4.19Å; Y122-F237 AromaticContact CE2-CZ 3.91Å; Y122-F237 HydrophobicContact CE2-CZ 3.91Å; Y122-F237 HydrophobicContact CG-CE2 4.37Å
123T97.3Very high97.1Very high16 Ų1634.1 Ų34.110%0.09818%0.178CC..Hα-helixtrans-63.5-42.2178.5-55.80000111.3L113 G119 S120 L121 F126 L127 Y142L113-T123 HydrophobicContact CB-CG2 3.78Å; L113-T123 HydrophobicContact CD1-CG2 4.08Å; G119-T123 WeakPolarHBondContact O-CB 3.39Å; G119-T123 PolarHBondContact O-N 2.94Å; G119-T123 PolarHBondContact O-OG1 3.08Å; S120-T123 PolarHBondContact O-N 2.9Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 2.87Å; T123-F126 WeakPolarHBondContact O-CB 3.12Å; T123-F126 PolarHBondContact O-N 2.77Å; T123-L127 HydrophobicContact CG2-CD1 4.04Å; T123-L127 HydrophobicContact CG2-CG 4.39Å; T123-L127 WeakPolarHBondContact O-CB 3.37Å; T123-L127 VanDerWaalsContact O-CG 3.31Å; T123-L127 WeakPolarHBondContact O-CG 3.28Å; T123-L127 PolarHBondContact O-N 2.63Å; T123-Y142 HydrophobicContact CG2-CD2 3.52Å; T123-Y142 HydrophobicContact CG2-CE2 3.55Å
124L97.2Very high97.1Very high1 Ų133.9 Ų33.91%0.00518%0.176CC..Hα-helixtrans-61.3-48.6177.3-178.163.6000111.6S120 L121 Y122 F126 L127 N128 Y142 F149 T239 P243 W302S120-L124 WeakPolarHBondContact O-CB 3.49Å; S120-L124 PolarHBondContact O-N 3.18Å; L121-L124 PolarHBondContact O-N 3.11Å; Y122-L124 VanDerWaalsContact C-N 3.35Å; Y122-L124 PolarHBondContact O-N 2.85Å; L124-F126 VanDerWaalsContact C-N 3.32Å; L124-F126 PolarHBondContact O-N 3.04Å; L124-L127 PolarHBondContact O-N 3.35Å; L124-N128 WeakPolarHBondContact O-CB 3.41Å; L124-N128 PolarHBondContact O-N 3.37Å; L124-N128 PolarHBondContact O-ND2 2.86Å; L124-Y142 HydrophobicContact CD1-CE1 4.14Å; L124-F149 HydrophobicContact CD2-CD1 4.4Å; L124-F149 HydrophobicContact CD2-CE1 4.05Å; L124-T239 HydrophobicContact CD2-CG2 4.06Å; L124-T239 WeakPolarHBondContact CD2-O 3.29Å; L124-T239 HydrophobicContact CG-CG2 3.94Å; L124-P243 HydrophobicContact CD1-CB 3.83Å; L124-P243 HydrophobicContact CD1-CG 3.76Å; L124-W302 HydrophobicContact CD1-CH2 3.97Å; L124-W302 HydrophobicContact CD1-CZ2 4.28Å; L124-W302 HydrophobicContact CD2-CH2 3.93Å; L124-W302 HydrophobicContact CD2-CZ2 3.87Å
125N95.6Very high97.1Very high9 Ų932.3 Ų32.35%0.04817%0.167CC..Hα-helixtrans-59.2-44177.1-171.9-89000111.3M92 L121 Y122 K129 E236 F237M92-N125 HydrophobicContact CE-CB 4.38Å; M92-N125 WeakPolarHBondContact CE-OD1 3.47Å; L121-N125 WeakPolarHBondContact O-CB 3.47Å; L121-N125 PolarHBondContact O-N 3Å; Y122-N125 PolarHBondContact O-N 3.03Å; N125-K129 WeakPolarHBondContact O-CG 3.4Å; N125-K129 PolarHBondContact O-N 2.92Å; N125-K129 WeakPolarHBondContact OD1-CE 3.31Å; N125-K129 PolarHBondContact OD1-NZ 2.95Å; N125-E236 PolarHBondContact ND2-O 3.34Å; N125-F237 HydrophobicContact CB-CD2 4.06Å; N125-F237 HydrophobicContact CB-CE2 4.23Å; N125-F237 PolarHBondContact ND2-O 2.72Å
126F96.7Very high97Very high0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-57.8-52176169.7-108.4000111.8M92 L95 K96 L113 Y122 T123 L124 N128 K129 Q130 W134M92-F126 HydrophobicContact CE-CB 4.14Å; M92-F126 HydrophobicContact SD-CB 3.6Å; M92-F126 VanDerWaalsContact SD-CB 3.6Å; M92-F126 HydrophobicContact SD-CD2 3.6Å; M92-F126 VanDerWaalsContact SD-CD2 3.6Å; M92-F126 HydrophobicContact SD-CG 4.07Å; L95-F126 HydrophobicContact CB-CE2 4.39Å; L95-F126 HydrophobicContact CD2-CB 4.08Å; L95-F126 HydrophobicContact CD2-CD1 3.71Å; L95-F126 HydrophobicContact CD2-CD2 3.96Å; L95-F126 HydrophobicContact CD2-CE1 4.1Å; L95-F126 HydrophobicContact CD2-CE2 4.32Å; L95-F126 HydrophobicContact CD2-CG 3.63Å; L95-F126 HydrophobicContact CD2-CZ 4.39Å; L95-F126 HydrophobicContact CG-CD1 4.29Å; L95-F126 HydrophobicContact CG-CD2 4.4Å; L95-F126 HydrophobicContact CG-CE1 4.18Å; L95-F126 HydrophobicContact CG-CE2 4.27Å; L95-F126 HydrophobicContact CG-CG 4.4Å; L95-F126 HydrophobicContact CG-CZ 4.17Å; K96-F126 HydrophobicContact CB-CE2 3.99Å; K96-F126 HydrophobicContact CB-CZ 4.1Å; L113-F126 HydrophobicContact CD1-CD1 4.17Å; L113-F126 HydrophobicContact CD1-CE1 4.04Å; Y122-F126 WeakPolarHBondContact O-CB 3.29Å; Y122-F126 PolarHBondContact O-N 3.25Å; T123-F126 WeakPolarHBondContact O-CB 3.12Å; T123-F126 PolarHBondContact O-N 2.77Å; L124-F126 VanDerWaalsContact C-N 3.32Å; L124-F126 PolarHBondContact O-N 3.04Å; F126-N128 PolarHBondContact O-N 3.29Å; F126-K129 PolarHBondContact O-N 2.99Å; F126-K129 VanDerWaalsContact O-N 3.12Å; F126-Q130 HydrophobicContact CD2-CG 4.42Å; F126-Q130 HydrophobicContact CE1-CG 4.13Å; F126-Q130 HydrophobicContact CE2-CG 4.02Å; F126-Q130 VanDerWaalsContact CE2-NE2 3.28Å; F126-Q130 HydrophobicContact CZ-CG 3.85Å; F126-Q130 WeakPolarHBondContact O-CG 3.41Å; F126-Q130 PolarHBondContact O-N 3.22Å; F126-Q130 PolarHBondContact O-NE2 3.04Å; F126-W134 AromaticContact CE1-CH2 3.67Å; F126-W134 HydrophobicContact CE1-CH2 3.67Å; F126-W134 AromaticContact CE1-CZ3 3.93Å; F126-W134 HydrophobicContact CE1-CZ3 3.93Å; F126-W134 AromaticContact CZ-CH2 3.54Å; F126-W134 HydrophobicContact CZ-CH2 3.54Å; F126-W134 HydrophobicContact CZ-CZ2 4.15Å; F126-W134 HydrophobicContact CZ-CZ3 4.03Å
127L97.5Very high97Very high0 Ų040.9 Ų40.90%021%0.207CC..Hα-helixtrans-65.4-37.6-176.8-71.2177000112.8L113 T123 L124 K129 Q130 W134 I139 Y142 P243 I246L113-L127 HydrophobicContact CD1-CD2 3.9Å; L113-L127 HydrophobicContact CD1-CG 4.37Å; T123-L127 HydrophobicContact CG2-CD1 4.04Å; T123-L127 HydrophobicContact CG2-CG 4.39Å; T123-L127 WeakPolarHBondContact O-CB 3.37Å; T123-L127 VanDerWaalsContact O-CG 3.31Å; T123-L127 WeakPolarHBondContact O-CG 3.28Å; T123-L127 PolarHBondContact O-N 2.63Å; L124-L127 PolarHBondContact O-N 3.35Å; L127-K129 PolarHBondContact O-N 3.01Å; L127-Q130 PolarHBondContact O-N 3.22Å; L127-W134 HydrophobicContact CD2-CZ3 4.5Å; L127-I139 HydrophobicContact CD2-CD1 4.37Å; L127-I139 HydrophobicContact CD2-CG1 4.08Å; L127-Y142 HydrophobicContact CD1-CD1 4.4Å; L127-Y142 HydrophobicContact CD1-CD2 4.18Å; L127-Y142 HydrophobicContact CD1-CG 3.85Å; L127-P243 HydrophobicContact CB-CB 4.23Å; L127-I246 HydrophobicContact CB-CD1 4.41Å; L127-I246 HydrophobicContact CD1-CD1 3.96Å; L127-I246 HydrophobicContact CD1-CG1 4.24Å; L127-I246 HydrophobicContact CD2-CD1 3.8Å; L127-I246 HydrophobicContact CG-CD1 4.27Å
128N95.7Very high97.1Very high51 Ų5141 Ų4127%0.27320%0.204SC..Hα-helixtrans-67-20.3175.7-84.4-41.7000113.1L124 F126 D241 P243L124-N128 WeakPolarHBondContact O-CB 3.41Å; L124-N128 PolarHBondContact O-N 3.37Å; L124-N128 PolarHBondContact O-ND2 2.86Å; F126-N128 PolarHBondContact O-N 3.29Å; N128-D241 PolarHBondContact ND2-O 2.97Å; N128-D241 VanDerWaalsContact ND2-O 3.11Å; N128-P243 WeakPolarHBondContact OD1-CA 3.45Å
129K94.8Very high97.2Very high121 Ų12139.9 Ų39.953%0.52620%0.199SC..THydrogen-bonded Turntrans-92.2-6.6174.8-70.2173.9176.5169.10114.1N125 F126 L127N125-K129 WeakPolarHBondContact O-CG 3.4Å; N125-K129 PolarHBondContact O-N 2.92Å; N125-K129 WeakPolarHBondContact OD1-CE 3.31Å; N125-K129 PolarHBondContact OD1-NZ 2.95Å; F126-K129 PolarHBondContact O-N 2.99Å; F126-K129 VanDerWaalsContact O-N 3.12Å; L127-K129 PolarHBondContact O-N 3.01Å
130Q96.9Very high97.2Very high28 Ų2840.7 Ų40.713%0.13120%0.199CC..SBendtrans-90151177.9-59.5-41.2-58.500112.6F126 L127 W134 K135F126-Q130 HydrophobicContact CD2-CG 4.42Å; F126-Q130 HydrophobicContact CE1-CG 4.13Å; F126-Q130 HydrophobicContact CE2-CG 4.02Å; F126-Q130 VanDerWaalsContact CE2-NE2 3.28Å; F126-Q130 HydrophobicContact CZ-CG 3.85Å; F126-Q130 WeakPolarHBondContact O-CG 3.41Å; F126-Q130 PolarHBondContact O-N 3.22Å; F126-Q130 PolarHBondContact O-NE2 3.04Å; L127-Q130 PolarHBondContact O-N 3.22Å; Q130-W134 HydrophobicContact CB-CD2 4.4Å; Q130-W134 HydrophobicContact CB-CE3 3.74Å; Q130-W134 HydrophobicContact CB-CZ3 4.26Å; Q130-W134 HydrophobicContact CG-CD2 4.33Å; Q130-W134 HydrophobicContact CG-CE3 3.7Å; Q130-W134 HydrophobicContact CG-CZ3 3.8Å; Q130-K135 HydrophobicContact CB-CD 4.41Å; Q130-K135 HydrophobicContact CB-CG 4.02Å; Q130-K135 VanDerWaalsContact O-CE 3.31Å; Q130-K135 WeakPolarHBondContact O-CE 3.42Å; Q130-K135 PolarHBondContact O-NZ 2.85Å
131T97.3Very high97.1Very high90 Ų9040.7 Ų40.755%0.55220%0.199SC*.  trans-69.5152.3175.965.40000111.5L133 W134 K135T131-L133 VanDerWaalsContact C-N 3.3Å; T131-L133 PolarHBondContact O-N 2.89Å; T131-W134 PolarHBondContact O-N 3.18Å; T131-W134 WeakPolarHBondContact OG1-CB 3.27Å; T131-W134 PolarHBondContact OG1-N 2.88Å; T131-K135 PolarHBondContact O-N 3.25Å
132K97.5Very high97.2Very high114 Ų11440.3 Ų40.350%0.49620%0.197SC..Hα-helixtrans-53.1-46.5173.3174.7169.9-170.6151.90112.5W134 K135 N136 D245K132-W134 VanDerWaalsContact C-N 3.32Å; K132-W134 PolarHBondContact O-N 3.4Å; K132-K135 PolarHBondContact O-N 3.42Å; K132-N136 WeakPolarHBondContact O-CB 3.28Å; K132-N136 PolarHBondContact O-N 2.82Å; K132-D245 HydrophobicContact CB-CB 4.26Å; K132-D245 HydrophobicContact CD-CB 4.36Å; K132-D245 VanDerWaalsContact CD-OD1 3.24Å; K132-D245 WeakPolarHBondContact CD-OD1 3.49Å; K132-D245 WeakPolarHBondContact CE-OD1 3.44Å; K132-D245 HydrophobicContact CG-CB 3.88Å; K132-D245 IonicContact NZ-OD1 3.34Å; K132-D245 PolarHBondContact NZ-OD1 2.77Å
133L97.8Very high97.3Very high146 Ų14640.2 Ų40.276%0.76420%0.197SC*.Hα-helixtrans-60.6-41179.9-70175000112.1T131 K137T131-L133 VanDerWaalsContact C-N 3.3Å; T131-L133 PolarHBondContact O-N 2.89Å; L133-K137 WeakPolarHBondContact O-CB 3.37Å; L133-K137 PolarHBondContact O-N 3.39Å
134W98.3Very high97.3Very high15 Ų1539.5 Ų39.56%0.05719%0.192CC..Hα-helixtrans-66.4-47.8177.3-173.293.5000111.1K96 V99 E100 F126 L127 Q130 T131 K132 N136 K137 Y138 I139K96-W134 HydrophobicContact CB-CZ2 4.49Å; K96-W134 VanDerWaalsContact CE-CD1 3.5Å; K96-W134 VanDerWaalsContact CE-NE1 3.32Å; K96-W134 HydrophobicContact CG-CZ2 3.73Å; V99-W134 HydrophobicContact CB-CH2 4Å; V99-W134 HydrophobicContact CB-CZ2 3.96Å; V99-W134 HydrophobicContact CG1-CH2 3.61Å; V99-W134 HydrophobicContact CG1-CZ2 3.67Å; V99-W134 HydrophobicContact CG2-CH2 4.28Å; E100-W134 HydrophobicContact CG-CZ2 4.48Å; E100-W134 PolarHBondContact OE1-NE1 3.42Å; F126-W134 AromaticContact CE1-CH2 3.67Å; F126-W134 HydrophobicContact CE1-CH2 3.67Å; F126-W134 AromaticContact CE1-CZ3 3.93Å; F126-W134 HydrophobicContact CE1-CZ3 3.93Å; F126-W134 AromaticContact CZ-CH2 3.54Å; F126-W134 HydrophobicContact CZ-CH2 3.54Å; F126-W134 HydrophobicContact CZ-CZ2 4.15Å; F126-W134 HydrophobicContact CZ-CZ3 4.03Å; L127-W134 HydrophobicContact CD2-CZ3 4.5Å; Q130-W134 HydrophobicContact CB-CD2 4.4Å; Q130-W134 HydrophobicContact CB-CE3 3.74Å; Q130-W134 HydrophobicContact CB-CZ3 4.26Å; Q130-W134 HydrophobicContact CG-CD2 4.33Å; Q130-W134 HydrophobicContact CG-CE3 3.7Å; Q130-W134 HydrophobicContact CG-CZ3 3.8Å; T131-W134 PolarHBondContact O-N 3.18Å; T131-W134 WeakPolarHBondContact OG1-CB 3.27Å; T131-W134 PolarHBondContact OG1-N 2.88Å; K132-W134 VanDerWaalsContact C-N 3.32Å; K132-W134 PolarHBondContact O-N 3.4Å; W134-N136 PolarHBondContact O-N 3.01Å; W134-K137 PolarHBondContact O-N 3.45Å; W134-Y138 AromaticContact CD1-CD2 3.4Å; W134-Y138 VanDerWaalsContact CD1-CD2 3.4Å; W134-Y138 AromaticContact CD1-CE2 3.52Å; W134-Y138 AromaticContact CD2-CD2 3.85Å; W134-Y138 HydrophobicContact CD2-CD2 3.85Å; W134-Y138 AromaticContact CE2-CD2 3.62Å; W134-Y138 AromaticContact CG-CD2 3.72Å; W134-Y138 HydrophobicContact CG-CD2 3.72Å; W134-Y138 HydrophobicContact CG-CE2 4.22Å; W134-Y138 HydrophobicContact CZ2-CD2 4.34Å; W134-Y138 HydrophobicContact CZ2-CG 4.38Å; W134-Y138 AromaticContact NE1-CD2 3.33Å; W134-Y138 VanDerWaalsContact NE1-CD2 3.33Å; W134-Y138 AromaticContact NE1-CE2 3.6Å; W134-Y138 VanDerWaalsContact O-CD2 3.3Å; W134-Y138 WeakPolarHBondContact O-CD2 3.3Å; W134-Y138 PolarHBondContact O-N 2.83Å; W134-I139 HydrophobicContact CE3-CG1 4.29Å; W134-I139 HydrophobicContact CH2-CD1 3.81Å; W134-I139 HydrophobicContact CH2-CG1 4.18Å; W134-I139 HydrophobicContact CZ3-CD1 3.71Å; W134-I139 HydrophobicContact CZ3-CG1 3.57Å
135K98.2Very high97.4Very high9 Ų939.5 Ų39.54%0.03919%0.192CC..Hα-helixtrans-58-49.3178.9-74-178.8-73.4-168.90112.1Q130 T131 K132 K137 Y138 I139 K244 I246Q130-K135 HydrophobicContact CB-CD 4.41Å; Q130-K135 HydrophobicContact CB-CG 4.02Å; Q130-K135 VanDerWaalsContact O-CE 3.31Å; Q130-K135 WeakPolarHBondContact O-CE 3.42Å; Q130-K135 PolarHBondContact O-NZ 2.85Å; T131-K135 PolarHBondContact O-N 3.25Å; K132-K135 PolarHBondContact O-N 3.42Å; K135-K137 PolarHBondContact O-N 2.02Å; K135-Y138 PolarHBondContact O-N 3.34Å; K135-I139 WeakPolarHBondContact O-CB 3.46Å; K135-I139 PolarHBondContact O-N 2.99Å; K135-K244 WeakPolarHBondContact CE-O 3.49Å; K135-K244 PolarHBondContact NZ-O 3.19Å; K135-I246 HydrophobicContact CB-CD1 4.06Å; K135-I246 HydrophobicContact CD-CD1 3.49Å; K135-I246 VanDerWaalsContact CD-CD1 3.49Å; K135-I246 HydrophobicContact CD-CG1 4.24Å; K135-I246 HydrophobicContact CG-CD1 3.8Å
136N97.1Very high97.5Very high86 Ų8639 Ų3946%0.4619%0.19SC..Hα-helixtrans-60.6-30.2179.4-74.10.1000113.5K132 W134 D245K132-N136 WeakPolarHBondContact O-CB 3.28Å; K132-N136 PolarHBondContact O-N 2.82Å; W134-N136 PolarHBondContact O-N 3.01Å; N136-D245 PolarHBondContact OD1-O 2.92Å
137K97.9Very high97.6Very high105 Ų10539.1 Ų39.146%0.45719%0.19SC..Hα-helixtrans-83.4-44.2-179.9-179.5174177.3-171.50112.5Y103 L133 W134 K135Y103-K137 WeakPolarHBondContact CE2-O 3.44Å; L133-K137 WeakPolarHBondContact O-CB 3.37Å; L133-K137 PolarHBondContact O-N 3.39Å; W134-K137 PolarHBondContact O-N 3.45Å; K135-K137 PolarHBondContact O-N 2.02Å
138Y98.5Very high97.6Very high25 Ų2539.3 Ų39.310%0.09819%0.192CC..Hα-helixtrans-105.2-19.4-164.8-67.6-71.8000114.4E100 Y103 P110 V111 W134 K135E100-Y138 HydrophobicContact CB-CE1 4.13Å; E100-Y138 HydrophobicContact CG-CD1 4.07Å; E100-Y138 HydrophobicContact CG-CD2 4.43Å; E100-Y138 HydrophobicContact CG-CE1 3.74Å; E100-Y138 HydrophobicContact CG-CE2 4.14Å; E100-Y138 HydrophobicContact CG-CG 4.4Å; Y103-Y138 AromaticContact CD1-CD1 3.99Å; Y103-Y138 HydrophobicContact CD1-CD1 3.99Å; Y103-Y138 AromaticContact CD1-CE1 3.8Å; Y103-Y138 HydrophobicContact CD1-CE1 3.8Å; Y103-Y138 HydrophobicContact CD2-CD1 4.05Å; Y103-Y138 HydrophobicContact CE1-CE1 4.27Å; Y103-Y138 AromaticContact CG-CD1 3.7Å; Y103-Y138 HydrophobicContact CG-CD1 3.7Å; Y103-Y138 HydrophobicContact CG-CE1 4Å; P110-Y138 CarbonylContact C-O 3.58Å; P110-Y138 WeakPolarHBondContact CA-O 3.49Å; V111-Y138 PolarHBondContact N-O 2.63Å; W134-Y138 AromaticContact CD1-CD2 3.4Å; W134-Y138 VanDerWaalsContact CD1-CD2 3.4Å; W134-Y138 AromaticContact CD1-CE2 3.52Å; W134-Y138 AromaticContact CD2-CD2 3.85Å; W134-Y138 HydrophobicContact CD2-CD2 3.85Å; W134-Y138 AromaticContact CE2-CD2 3.62Å; W134-Y138 AromaticContact CG-CD2 3.72Å; W134-Y138 HydrophobicContact CG-CD2 3.72Å; W134-Y138 HydrophobicContact CG-CE2 4.22Å; W134-Y138 HydrophobicContact CZ2-CD2 4.34Å; W134-Y138 HydrophobicContact CZ2-CG 4.38Å; W134-Y138 AromaticContact NE1-CD2 3.33Å; W134-Y138 VanDerWaalsContact NE1-CD2 3.33Å; W134-Y138 AromaticContact NE1-CE2 3.6Å; W134-Y138 VanDerWaalsContact O-CD2 3.3Å; W134-Y138 WeakPolarHBondContact O-CD2 3.3Å; W134-Y138 PolarHBondContact O-N 2.83Å; K135-Y138 PolarHBondContact O-N 3.34Å
139I98.2Very high97.7Very high1 Ų137 Ų371%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-112.4124.9-173.5-53.8-59.1000110.4V99 V111 L113 L127 W134 K135 I246V99-I139 HydrophobicContact CG1-CD1 3.9Å; V111-I139 WeakPolarHBondContact O-CA 3.18Å; L113-I139 HydrophobicContact CD1-CD1 3.69Å; L113-I139 HydrophobicContact CG-CD1 4.06Å; L127-I139 HydrophobicContact CD2-CD1 4.37Å; L127-I139 HydrophobicContact CD2-CG1 4.08Å; W134-I139 HydrophobicContact CE3-CG1 4.29Å; W134-I139 HydrophobicContact CH2-CD1 3.81Å; W134-I139 HydrophobicContact CH2-CG1 4.18Å; W134-I139 HydrophobicContact CZ3-CD1 3.71Å; W134-I139 HydrophobicContact CZ3-CG1 3.57Å; K135-I139 WeakPolarHBondContact O-CB 3.46Å; K135-I139 PolarHBondContact O-N 2.99Å; I139-I246 HydrophobicContact CB-CD1 4.33Å; I139-I246 HydrophobicContact CG2-CD1 3.98Å; I139-I246 HydrophobicContact CG2-CG2 4.31Å
140K97Very high97.8Very high28 Ų2831.2 Ų31.212%0.12215%0.154CC..EExtended strand (participates in β ladder)trans-80.2-57.9167.1-179.1176.7-178.9-177.70109.6P110 V111 V112 P247 H331 T334P110-K140 HydrophobicContact CB-CB 3.97Å; V111-K140 PolarHBondContact O-N 2.91Å; V112-K140 HydrophobicContact CG2-CB 3.97Å; V112-K140 HydrophobicContact CG2-CD 3.98Å; V112-K140 HydrophobicContact CG2-CG 4.25Å; K140-P247 WeakPolarHBondContact O-CB 3.15Å; K140-H331 PolarHBondContact NZ-O 2.9Å; K140-T334 PolarHBondContact NZ-O 2.98Å
141S97.3Very high97.8Very high0 Ų029.9 Ų29.90%015%0.148CC..EExtended strand (participates in β ladder)trans-150.6157.6-174.469.20000113.4V112 L113 E248 H331V112-S141 WeakPolarHBondContact CG1-OG 3.36Å; V112-S141 WeakPolarHBondContact CG2-OG 3.49Å; L113-S141 PolarHBondContact N-O 2.9Å; S141-E248 CarbonylContact C-O 3.58Å; S141-E248 WeakPolarHBondContact CA-O 3.5Å; S141-E248 WeakPolarHBondContact CB-O 3.46Å; S141-H331 PolarHBondContact OG-NE2 2.88Å
142Y97.9Very high97.9Very high0 Ų025.9 Ų25.90%012%0.124CC..EExtended strand (participates in β ladder)trans-110.6122.3167.4167.7-132.5000109.5L113 S120 T123 L124 L127 P243 E248 V249 Y250 W302L113-Y142 WeakPolarHBondContact O-CA 3.43Å; S120-Y142 PolarHBondContact O-OH 3.38Å; T123-Y142 HydrophobicContact CG2-CD2 3.52Å; T123-Y142 HydrophobicContact CG2-CE2 3.55Å; L124-Y142 HydrophobicContact CD1-CE1 4.14Å; L127-Y142 HydrophobicContact CD1-CD1 4.4Å; L127-Y142 HydrophobicContact CD1-CD2 4.18Å; L127-Y142 HydrophobicContact CD1-CG 3.85Å; Y142-P243 HydrophobicContact CD1-CG 3.78Å; Y142-P243 HydrophobicContact CE1-CG 4.25Å; Y142-E248 PolarHBondContact N-O 3Å; Y142-V249 HydrophobicContact CD1-CG1 3.93Å; Y142-Y250 PolarHBondContact O-N 3.47Å; Y142-W302 HydrophobicContact CE1-CH2 4.29Å; Y142-W302 HydrophobicContact CE1-CZ3 4.13Å
143I98.1Very high97.9Very high0 Ų020.5 Ų20.50%010%0.101CC..EExtended strand (participates in β ladder)trans-112.3105176.4-52.5178.3000108.3V112 L113 L114 G115 V145 Y250 V252 F324 F327V112-I143 HydrophobicContact CG1-CD1 3.58Å; V112-I143 HydrophobicContact CG1-CG1 3.98Å; L113-I143 PolarHBondContact O-N 3.06Å; L114-I143 WeakPolarHBondContact CA-O 3.47Å; L114-I143 HydrophobicContact CB-CB 4.25Å; L114-I143 HydrophobicContact CD1-CG2 4.48Å; L114-I143 HydrophobicContact CG-CB 4.11Å; L114-I143 HydrophobicContact CG-CG2 4.21Å; G115-I143 PolarHBondContact N-O 3.28Å; I143-V145 HydrophobicContact CG2-CG2 3.93Å; I143-Y250 HydrophobicContact CG1-CD2 4.04Å; I143-Y250 HydrophobicContact CG1-CG 4.43Å; I143-V252 HydrophobicContact CG2-CG2 3.74Å; I143-F324 HydrophobicContact CG2-CE2 4.47Å; I143-F327 HydrophobicContact CD1-CE1 4.19Å; I143-F327 HydrophobicContact CG2-CE1 4.28Å
144S98.3Very high97.8Very high1 Ų116.9 Ų16.91%0.0078%0.079CC..EExtended strand (participates in β ladder)trans-85.1120.5170.9166.70000109.4A147 F149 Y250 V252S144-A147 WeakPolarHBondContact OG-CB 3.42Å; S144-F149 WeakPolarHBondContact OG-CZ 3.3Å; S144-Y250 PolarHBondContact N-O 3.23Å; S144-V252 WeakPolarHBondContact O-CA 3.47Å; S144-V252 VanDerWaalsContact O-CB 3.31Å; S144-V252 WeakPolarHBondContact O-CB 3.49Å; S144-V252 PolarHBondContact O-N 3.19Å
145V98.6Very high97.7Very high0 Ų016.9 Ų16.90%08%0.082CC..EExtended strand (participates in β ladder)trans-115121.1176.9-167.70000110.3L114 G115 H116 S117 S120 I143 A147 V252 I318 L319 F324L114-V145 HydrophobicContact CD2-CG2 3.93Å; L114-V145 HydrophobicContact CG-CG2 4.1Å; G115-V145 WeakPolarHBondContact O-CB 3.44Å; G115-V145 WeakPolarHBondContact O-CG2 3.41Å; G115-V145 PolarHBondContact O-N 2.87Å; H116-V145 CarbonylContact C-O 3.58Å; H116-V145 WeakPolarHBondContact CA-O 3.32Å; H116-V145 HydrophobicContact CB-CB 4.48Å; S117-V145 PolarHBondContact N-O 3Å; S120-V145 PolarHBondContact OG-N 3.2Å; S120-V145 PolarHBondContact OG-O 3.3Å; I143-V145 HydrophobicContact CG2-CG2 3.93Å; V145-A147 PolarHBondContact O-N 3.01Å; V145-A147 VanDerWaalsContact O-N 3.16Å; V145-V252 CarbonylContact C-O 3.48Å; V145-V252 WeakPolarHBondContact CA-O 3.39Å; V145-V252 HydrophobicContact CG1-CB 4.44Å; V145-V252 HydrophobicContact CG1-CG1 4.3Å; V145-V252 HydrophobicContact CG2-CB 4.32Å; V145-I318 HydrophobicContact CG1-CD1 4.06Å; V145-I318 HydrophobicContact CG1-CG1 4.39Å; V145-I318 HydrophobicContact CG1-CG2 3.75Å; V145-L319 HydrophobicContact CG1-CD2 4.44Å; V145-F324 HydrophobicContact CG1-CE2 4.34Å; V145-F324 HydrophobicContact CG1-CZ 4.23Å; V145-F324 HydrophobicContact CG2-CE2 3.71Å; V145-F324 HydrophobicContact CG2-CZ 3.54Å
146S98.3Very high97.6Very high0 Ų016.5 Ų16.50%08%0.08CC..SBendtrans49.741177-58.20000113.9S117 V252 H315 I318S117-S146 WeakPolarHBondContact CA-O 3.36Å; S146-V252 PolarHBondContact N-O 3.31Å; S146-H315 PolarHBondContact O-CE1 2.98Å; S146-I318 WeakPolarHBondContact OG-CD1 3.14Å
147A98.3Very high97.5Very high1 Ų113.2 Ų13.21%0.0086%0.063CC..  trans-75.4129.3-173.900000112S120 L121 S144 V145 F149S120-A147 VanDerWaalsContact CB-CB 3.42Å; L121-A147 HydrophobicContact CD2-CB 4.43Å; S144-A147 WeakPolarHBondContact OG-CB 3.42Å; V145-A147 PolarHBondContact O-N 3.01Å; V145-A147 VanDerWaalsContact O-N 3.16Å; A147-F149 VanDerWaalsContact C-N 3.26Å; A147-F149 HydrophobicContact CB-CD2 3.96Å; A147-F149 HydrophobicContact CB-CE1 4.06Å; A147-F149 HydrophobicContact CB-CE2 3.46Å; A147-F149 VanDerWaalsContact CB-CE2 3.46Å; A147-F149 HydrophobicContact CB-CG 4.46Å; A147-F149 HydrophobicContact CB-CZ 3.53Å; A147-F149 WeakPolarHBondContact O-CD2 3.34Å; A147-F149 PolarHBondContact O-N 3.43Å
148P97.8Very high97.4Very high5 Ų58.4 Ų8.43%0.0324%0.042CC..  trans-83.764.317734.2-34.3000111.2S117 L121 G150 G151 T188 V291 S295S117-P148 VanDerWaalsContact C-CD 3.49Å; L121-P148 HydrophobicContact CD1-CG 4.04Å; P148-G150 PolarHBondContact O-N 3.17Å; P148-G151 PolarHBondContact O-N 2.88Å; P148-T188 HydrophobicContact CG-CG2 4.47Å; P148-V291 HydrophobicContact CB-CG1 3.82Å; P148-V291 HydrophobicContact CB-CG2 3.94Å; P148-S295 VanDerWaalsContact C-OG 3.27Å; P148-S295 WeakPolarHBondContact CA-OG 3.17Å
149F97.9Very high97.3Very high1 Ų17.2 Ų7.20%0.0044%0.038CC..THydrogen-bonded Turntrans-54-39-177.1-65.9-71.9000113.1L121 L124 S144 A147 I194 L240 S295 H298 C299 W302L121-F149 HydrophobicContact CD2-CD1 3.59Å; L121-F149 HydrophobicContact CD2-CE1 3.93Å; L121-F149 HydrophobicContact CD2-CG 4.31Å; L124-F149 HydrophobicContact CD2-CD1 4.4Å; L124-F149 HydrophobicContact CD2-CE1 4.05Å; S144-F149 WeakPolarHBondContact OG-CZ 3.3Å; A147-F149 VanDerWaalsContact C-N 3.26Å; A147-F149 HydrophobicContact CB-CD2 3.96Å; A147-F149 HydrophobicContact CB-CE1 4.06Å; A147-F149 HydrophobicContact CB-CE2 3.46Å; A147-F149 VanDerWaalsContact CB-CE2 3.46Å; A147-F149 HydrophobicContact CB-CG 4.46Å; A147-F149 HydrophobicContact CB-CZ 3.53Å; A147-F149 WeakPolarHBondContact O-CD2 3.34Å; A147-F149 PolarHBondContact O-N 3.43Å; F149-I194 HydrophobicContact CB-CD1 4.27Å; F149-L240 HydrophobicContact CB-CD2 4.28Å; F149-L240 WeakPolarHBondContact O-CD2 3.24Å; F149-S295 WeakPolarHBondContact CD2-O 3.46Å; F149-S295 PolarHBondContact N-OG 2.91Å; F149-H298 HydrophobicContact CB-CB 3.61Å; F149-H298 HydrophobicContact CD2-CB 3.99Å; F149-H298 HydrophobicContact CG-CB 3.99Å; F149-C299 HydrophobicContact CD2-CB 4.33Å; F149-C299 HydrophobicContact CE2-CB 3.55Å; F149-C299 WeakPolarHBondContact CE2-SG 3.48Å; F149-C299 HydrophobicContact CZ-CB 3.72Å; F149-W302 HydrophobicContact CD1-CH2 4.32Å; F149-W302 HydrophobicContact CD1-CZ2 4.28Å; F149-W302 AromaticContact CE1-CH2 3.4Å; F149-W302 HydrophobicContact CE1-CH2 3.4Å; F149-W302 AromaticContact CE1-CZ2 3.79Å; F149-W302 HydrophobicContact CE1-CZ2 3.79Å; F149-W302 HydrophobicContact CE1-CZ3 4.38Å; F149-W302 AromaticContact CZ-CH2 3.6Å; F149-W302 HydrophobicContact CZ-CH2 3.6Å; F149-W302 HydrophobicContact CZ-CZ2 4.27Å; F149-W302 HydrophobicContact CZ-CZ3 4.16Å
150G97Very high97.2Very high0 Ų07.1 Ų7.10%04%0.037CC..THydrogen-bonded Turntrans-101.919.2174.500000113.9P148 P190 D191 I194 W195 S295P148-G150 PolarHBondContact O-N 3.17Å; G150-P190 CarbonylContact O-C 3.55Å; G150-P190 VanDerWaalsContact O-CA 3.31Å; G150-P190 WeakPolarHBondContact O-CA 3.31Å; G150-D191 PolarHBondContact O-N 3.23Å; G150-I194 VanDerWaalsContact CA-CD1 3.41Å; G150-W195 VanDerWaalsContact O-CD1 3.3Å; G150-W195 PolarHBondContact O-NE1 2.9Å; G150-S295 VanDerWaalsContact C-OG 3.32Å; G150-S295 WeakPolarHBondContact CA-OG 3.27Å; G150-S295 PolarHBondContact N-OG 2.88Å
151G97.6Very high97Very high0 Ų05.9 Ų5.90%03%0.032CC..  trans70.5-170.6-174.700000114P148 T188 S295P148-G151 PolarHBondContact O-N 2.88Å; G151-T188 CarbonylContact C-O 3.38Å; G151-T188 WeakPolarHBondContact CA-O 3.23Å; G151-S295 PolarHBondContact N-OG 2.84Å; G151-S295 WeakPolarHBondContact O-CB 3.45Å; G151-S295 PolarHBondContact O-OG 2.91Å
152A97.8Very high96.7Very high7 Ų75.9 Ų5.96%0.0583%0.032CC..  trans-144.6140.5-177.500000111.6K154 A155 T188 P190 V291A152-K154 PolarHBondContact O-N 2.81Å; A152-K154 VanDerWaalsContact O-N 3.17Å; A152-A155 WeakPolarHBondContact O-CB 3.37Å; A152-A155 PolarHBondContact O-N 2.77Å; A152-T188 PolarHBondContact N-O 3.14Å; A152-P190 WeakPolarHBondContact O-CD 3.38Å; A152-V291 HydrophobicContact CB-CG1 4.5Å; A152-V291 HydrophobicContact CB-CG2 4.31Å
153V97.9Very high95.9Very high0 Ų07 Ų70%04%0.038CC..Hα-helixtrans-61.5-28.1177.6-177.90000111.6A155 L156 L157 P190 W195 I201 I260 K261 L263 N292V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 2.67Å; V153-L156 WeakPolarHBondContact O-CA 3.29Å; V153-L156 WeakPolarHBondContact O-CB 3.14Å; V153-L156 PolarHBondContact O-N 2.55Å; V153-L156 VanDerWaalsContact O-N 3.11Å; V153-L157 PolarHBondContact O-N 3.32Å; V153-P190 HydrophobicContact CG2-CG 4.09Å; V153-W195 HydrophobicContact CG2-CH2 3.36Å; V153-W195 HydrophobicContact CG2-CZ2 4.12Å; V153-W195 HydrophobicContact CG2-CZ3 3.83Å; V153-I201 HydrophobicContact CB-CG2 4.28Å; V153-I201 HydrophobicContact CG1-CG2 3.64Å; V153-I201 HydrophobicContact CG2-CG2 3.8Å; V153-I260 HydrophobicContact CB-CB 4.5Å; V153-I260 HydrophobicContact CB-CG2 4.3Å; V153-I260 VanDerWaalsContact CB-O 3.24Å; V153-I260 WeakPolarHBondContact CB-O 3.47Å; V153-I260 HydrophobicContact CG1-CB 4.46Å; V153-I260 HydrophobicContact CG1-CG2 3.74Å; V153-I260 WeakPolarHBondContact CG2-O 3.48Å; V153-K261 WeakPolarHBondContact CG2-O 3.42Å; V153-L263 HydrophobicContact CG1-CD2 4.23Å; V153-L263 HydrophobicContact CG1-CG 4.13Å; V153-N292 PolarHBondContact N-OD1 2.81Å
154K95.8Very high94.8Very high71 Ų718.5 Ų8.531%0.3095%0.046SC..Hα-helixtrans-61.8-36.2174.2-170.7172.7-179.3177.90113A152 L156 L157 G158 D163 I260 T290A152-K154 PolarHBondContact O-N 2.81Å; A152-K154 VanDerWaalsContact O-N 3.17Å; K154-L156 VanDerWaalsContact C-N 3.29Å; K154-L156 PolarHBondContact O-N 2.68Å; K154-L157 WeakPolarHBondContact O-CB 3.41Å; K154-L157 PolarHBondContact O-N 3.19Å; K154-G158 PolarHBondContact O-N 2.97Å; K154-G158 VanDerWaalsContact O-N 3.1Å; K154-D163 WeakPolarHBondContact CE-OD2 3.38Å; K154-I260 HydrophobicContact CB-CD1 4.27Å; K154-I260 HydrophobicContact CG-CD1 4.25Å; K154-T290 HydrophobicContact CD-CG2 4.24Å
155A96Very high93.5Very high14 Ų1414.4 Ų14.412%0.1167%0.072CC..Hα-helixtrans-63.8-40.2173.700000110.6A152 V153 L157 G158 V159 T188 I189A152-A155 WeakPolarHBondContact O-CB 3.37Å; A152-A155 PolarHBondContact O-N 2.77Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 2.67Å; A155-L157 PolarHBondContact O-N 3.03Å; A155-G158 WeakPolarHBondContact O-CA 3.07Å; A155-G158 PolarHBondContact O-N 3.48Å; A155-G158 VanDerWaalsContact O-N 3.1Å; A155-V159 PolarHBondContact O-N 2.92Å; A155-T188 WeakPolarHBondContact CB-O 3.38Å; A155-I189 HydrophobicContact CB-CG2 4.2Å
156L96.4Very high91.6Very high1 Ų117.6 Ų17.61%0.00511%0.105CC..Hα-helixtrans-64.2-38.6176.7-166.660.7000112.2V153 K154 G158 V159 I160 I189 I201 I202 Y214 L217V153-L156 WeakPolarHBondContact O-CA 3.29Å; V153-L156 WeakPolarHBondContact O-CB 3.14Å; V153-L156 PolarHBondContact O-N 2.55Å; V153-L156 VanDerWaalsContact O-N 3.11Å; K154-L156 VanDerWaalsContact C-N 3.29Å; K154-L156 PolarHBondContact O-N 2.68Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.03Å; L156-V159 PolarHBondContact O-N 3.25Å; L156-I160 HydrophobicContact CD1-CD1 4.12Å; L156-I160 HydrophobicContact CD1-CG1 4.48Å; L156-I160 HydrophobicContact CG-CD1 3.82Å; L156-I160 VanDerWaalsContact O-CG1 3.3Å; L156-I160 WeakPolarHBondContact O-CG1 3.31Å; L156-I160 PolarHBondContact O-N 2.55Å; L156-I189 HydrophobicContact CB-CB 4.43Å; L156-I189 HydrophobicContact CB-CG2 4.26Å; L156-I189 HydrophobicContact CD1-CB 4.16Å; L156-I189 HydrophobicContact CD1-CD1 4.4Å; L156-I189 HydrophobicContact CD1-CG2 4.01Å; L156-I201 HydrophobicContact CD2-CG2 3.76Å; L156-I202 HydrophobicContact CD2-CD1 3.74Å; L156-I202 HydrophobicContact CD2-CG1 4.16Å; L156-I202 HydrophobicContact CG-CD1 4.26Å; L156-Y214 HydrophobicContact CD1-CE1 4.26Å; L156-Y214 HydrophobicContact CD2-CE1 4.33Å; L156-L217 HydrophobicContact CD1-CD2 4.04Å
157L95.7Very high89.6Confident18 Ų1818.6 Ų18.69%0.09411%0.11CC..Hα-helixtrans-56.9-46.2169.8175.563.8000111.4V153 K154 A155 V159 I160 T161 G162 I260 L263 P280 L282V153-L157 PolarHBondContact O-N 3.32Å; K154-L157 WeakPolarHBondContact O-CB 3.41Å; K154-L157 PolarHBondContact O-N 3.19Å; A155-L157 PolarHBondContact O-N 3.03Å; L157-V159 VanDerWaalsContact C-N 3.31Å; L157-V159 PolarHBondContact O-N 3.32Å; L157-I160 PolarHBondContact O-N 3.47Å; L157-T161 PolarHBondContact O-N 3.34Å; L157-G162 PolarHBondContact O-N 3.11Å; L157-I260 HydrophobicContact CD2-CD1 3.94Å; L157-L263 HydrophobicContact CB-CD1 3.98Å; L157-L263 HydrophobicContact CB-CD2 4.13Å; L157-L263 HydrophobicContact CD1-CD1 4.23Å; L157-L263 HydrophobicContact CD1-CD2 4.12Å; L157-P280 HydrophobicContact CD1-CG 3.7Å; L157-L282 HydrophobicContact CD2-CD2 4.37Å
158G95.1Very high87.7Confident3 Ų327.7 Ų27.73%0.03115%0.15CC..Hα-helixtrans-58.8-37.7175.900000113.7K154 A155 L156 G162K154-G158 PolarHBondContact O-N 2.97Å; K154-G158 VanDerWaalsContact O-N 3.1Å; A155-G158 WeakPolarHBondContact O-CA 3.07Å; A155-G158 PolarHBondContact O-N 3.48Å; A155-G158 VanDerWaalsContact O-N 3.1Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.03Å; G158-G162 WeakPolarHBondContact O-CA 3.34Å; G158-G162 PolarHBondContact O-N 3.3Å
159V96.7Very high86.2Confident0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-73.6-37.6177.21740000112.2A155 L156 L157 R180 I185 I186 I189 F218 I221 F223A155-V159 PolarHBondContact O-N 2.92Å; L156-V159 PolarHBondContact O-N 3.25Å; L157-V159 VanDerWaalsContact C-N 3.31Å; L157-V159 PolarHBondContact O-N 3.32Å; V159-R180 PolarHBondContact O-NE 2.84Å; V159-R180 PolarHBondContact O-NH2 3.47Å; V159-I185 HydrophobicContact CG2-CG2 4.04Å; V159-I186 HydrophobicContact CG2-CG1 4.41Å; V159-I189 HydrophobicContact CG2-CG2 4.12Å; V159-F218 HydrophobicContact CG1-CE1 3.76Å; V159-F218 HydrophobicContact CG1-CZ 4.21Å; V159-I221 HydrophobicContact CG1-CD1 4.17Å; V159-F223 HydrophobicContact CG1-CD1 4.21Å; V159-F223 HydrophobicContact CG1-CE1 4.46Å
160I96.3Very high85.1Confident0 Ų035.5 Ų35.50%018%0.179CC..Hα-helixtrans-85.5-57.3-173.1-63170000112L156 L157 R176 I202 L217 I221 L263 Y265 F275 P276L156-I160 HydrophobicContact CD1-CD1 4.12Å; L156-I160 HydrophobicContact CD1-CG1 4.48Å; L156-I160 HydrophobicContact CG-CD1 3.82Å; L156-I160 VanDerWaalsContact O-CG1 3.3Å; L156-I160 WeakPolarHBondContact O-CG1 3.31Å; L156-I160 PolarHBondContact O-N 2.55Å; L157-I160 PolarHBondContact O-N 3.47Å; I160-R176 WeakPolarHBondContact O-CD 3.37Å; I160-R176 PolarHBondContact O-NH1 3.48Å; I160-I202 HydrophobicContact CD1-CD1 3.34Å; I160-I202 HydrophobicContact CD1-CG1 4.13Å; I160-L217 HydrophobicContact CD1-CD1 4.22Å; I160-L217 HydrophobicContact CD1-CD2 4.31Å; I160-I221 HydrophobicContact CG1-CD1 4.17Å; I160-I221 HydrophobicContact CG1-CG2 4.38Å; I160-I221 HydrophobicContact CG2-CG2 4.16Å; I160-L263 HydrophobicContact CD1-CD1 4.32Å; I160-Y265 HydrophobicContact CG2-CE2 4.49Å; I160-Y265 WeakPolarHBondContact CG2-OH 3.35Å; I160-F275 HydrophobicContact CG2-CD2 4.49Å; I160-F275 HydrophobicContact CG2-CE2 3.71Å; I160-F275 HydrophobicContact CG2-CZ 4.21Å; I160-P276 HydrophobicContact CG2-CB 3.62Å
161T92.5Very high84.2Confident1 Ų139.5 Ų39.51%0.00620%0.203CC..THydrogen-bonded Turntrans-103.1-23.3-175.6-55.10000111.7L157 P172 L173 Y265 Q278L157-T161 PolarHBondContact O-N 3.34Å; T161-P172 HydrophobicContact CG2-CB 4.26Å; T161-P172 CarbonylContact O-C 3.58Å; T161-P172 VanDerWaalsContact O-C 3.25Å; T161-L173 HydrophobicContact CG2-CD2 4.27Å; T161-L173 HydrophobicContact CG2-CG 4.39Å; T161-L173 WeakPolarHBondContact O-CA 3.42Å; T161-L173 WeakPolarHBondContact O-CD2 3.39Å; T161-L173 PolarHBondContact O-N 2.74Å; T161-L173 VanDerWaalsContact O-N 3.11Å; T161-Y265 PolarHBondContact OG1-OH 3.18Å; T161-Q278 WeakPolarHBondContact CG2-O 3.44Å; T161-Q278 PolarHBondContact OG1-O 3.13Å
162G90.1Very high83.4Confident1 Ų140.7 Ų40.71%0.0121%0.212CC..  trans88.1166.6-163.900000111.8L157 G158 P172L157-G162 PolarHBondContact O-N 3.11Å; G158-G162 WeakPolarHBondContact O-CA 3.34Å; G158-G162 PolarHBondContact O-N 3.3Å; G162-P172 WeakPolarHBondContact CA-O 3.42Å; G162-P172 VanDerWaalsContact O-CB 3.25Å; G162-P172 WeakPolarHBondContact O-CB 3.39Å
163D82.4Confident83Confident23 Ų2342.7 Ų42.712%0.12322%0.221CC..  trans-133.1125.1176.2-171.2-12.5000107.4K154 F165 F175 L179K154-D163 WeakPolarHBondContact CE-OD2 3.38Å; D163-F165 WeakPolarHBondContact O-CD2 3.47Å; D163-F165 WeakPolarHBondContact OD1-CA 2.96Å; D163-F165 PolarHBondContact OD1-N 3.07Å; D163-F175 WeakPolarHBondContact O-CB 3.17Å; D163-L179 HydrophobicContact CB-CD1 4.05Å; D163-L179 VanDerWaalsContact N-CD1 3.35Å
164N74.9Confident82.4Confident31 Ų3144 Ų4417%0.16623%0.23CC..  trans-86.95.2176.668.7-5.3000112.3G166 I167 R170 P172 F175N164-G166 PolarHBondContact O-N 3.16Å; N164-G166 VanDerWaalsContact O-N 3.11Å; N164-G166 PolarHBondContact OD1-N 3.14Å; N164-I167 PolarHBondContact ND2-O 2.88Å; N164-I167 WeakPolarHBondContact O-CB 3.19Å; N164-I167 VanDerWaalsContact O-CD1 3.26Å; N164-I167 WeakPolarHBondContact O-CD1 3.38Å; N164-I167 WeakPolarHBondContact O-CG1 3.17Å; N164-I167 PolarHBondContact O-N 2.99Å; N164-R170 WeakPolarHBondContact CB-O 3.31Å; N164-R170 PolarHBondContact ND2-O 3.43Å; N164-P172 HydrophobicContact CB-CG 4.33Å; N164-F175 HydrophobicContact CB-CD2 4.05Å; N164-F175 HydrophobicContact CB-CE2 4.02Å
165F69.6Low82.2Confident126 Ų12640.8 Ų40.855%0.55322%0.216SC*.THydrogen-bonded Turntrans55.430.5179.5-54.8-78.4000113.2D163 I167 L179D163-F165 WeakPolarHBondContact O-CD2 3.47Å; D163-F165 WeakPolarHBondContact OD1-CA 2.96Å; D163-F165 PolarHBondContact OD1-N 3.07Å; F165-I167 VanDerWaalsContact C-N 3.32Å; F165-L179 HydrophobicContact CE2-CD2 4.23Å; F165-L179 HydrophobicContact CZ-CD2 3.79Å
166G59Low82.1Confident67 Ų6742.2 Ų42.269%0.69122%0.218SC*.THydrogen-bonded Turntrans79.18.6-176.100000114.9N164 F168N164-G166 PolarHBondContact O-N 3.16Å; N164-G166 VanDerWaalsContact O-N 3.11Å; N164-G166 PolarHBondContact OD1-N 3.14Å; G166-F168 PolarHBondContact O-N 2.93Å; G166-F168 VanDerWaalsContact O-N 3.15Å
167I57.1Low82Confident21 Ų2145.4 Ų45.411%0.10824%0.239CC..  trans-77.299.8177.9-57.5163.1000109.6M2 N164 F165 Y169 R170 F175M2-I167 HydrophobicContact CE-CD1 3.43Å; M2-I167 VanDerWaalsContact CE-CD1 3.43Å; M2-I167 HydrophobicContact CE-CG1 4.46Å; N164-I167 PolarHBondContact ND2-O 2.88Å; N164-I167 WeakPolarHBondContact O-CB 3.19Å; N164-I167 VanDerWaalsContact O-CD1 3.26Å; N164-I167 WeakPolarHBondContact O-CD1 3.38Å; N164-I167 WeakPolarHBondContact O-CG1 3.17Å; N164-I167 PolarHBondContact O-N 2.99Å; F165-I167 VanDerWaalsContact C-N 3.32Å; I167-Y169 VanDerWaalsContact C-N 3.29Å; I167-Y169 HydrophobicContact CG2-CD1 3.75Å; I167-Y169 HydrophobicContact CG2-CD2 4.22Å; I167-Y169 HydrophobicContact CG2-CE1 3.33Å; I167-Y169 HydrophobicContact CG2-CE2 3.83Å; I167-Y169 HydrophobicContact CG2-CG 4.17Å; I167-Y169 PolarHBondContact O-N 3.45Å; I167-R170 PolarHBondContact O-N 2.6Å; I167-F175 HydrophobicContact CD1-CE2 4.5Å; I167-F175 HydrophobicContact CD1-CZ 3.88Å
168F57.5Low81.8Confident191 Ų19145 Ų4584%0.83824%0.237SC*.THydrogen-bonded Turntrans-61.6-26.2-171.167-90.1000115.6G166G166-F168 PolarHBondContact O-N 2.93Å; G166-F168 VanDerWaalsContact O-N 3.15Å
169Y66.4Low81.7Confident79 Ų7945.1 Ų45.131%0.3124%0.237SC..THydrogen-bonded Turntrans-90.57.7-175.660.3-94.1000114.4M1 I167M1-Y169 HydrophobicContact CE-CD2 4.41Å; M1-Y169 HydrophobicContact CE-CE1 4.32Å; M1-Y169 HydrophobicContact CE-CE2 3.94Å; M1-Y169 HydrophobicContact CG-CE2 3.85Å; M1-Y169 VanDerWaalsContact CG-OH 3.28Å; M1-Y169 WeakPolarHBondContact CG-OH 3.45Å; M1-Y169 HydrophobicContact SD-CE2 4.01Å; I167-Y169 VanDerWaalsContact C-N 3.29Å; I167-Y169 HydrophobicContact CG2-CD1 3.75Å; I167-Y169 HydrophobicContact CG2-CD2 4.22Å; I167-Y169 HydrophobicContact CG2-CE1 3.33Å; I167-Y169 HydrophobicContact CG2-CE2 3.83Å; I167-Y169 HydrophobicContact CG2-CG 4.17Å; I167-Y169 PolarHBondContact O-N 3.45Å
170R74.8Confident81.7Confident92 Ų9246.5 Ų46.535%0.34724%0.242SC..SBendtrans-136140.2175.3-74.1-65-178.4-101.68.8111.1P4 N164 I167 F175P4-R170 HydrophobicContact CG-CG 4.14Å; N164-R170 WeakPolarHBondContact CB-O 3.31Å; N164-R170 PolarHBondContact ND2-O 3.43Å; I167-R170 PolarHBondContact O-N 2.6Å; R170-F175 HydrophobicContact CB-CE2 3.79Å; R170-F175 HydrophobicContact CG-CE2 4.46Å
171T78.6Confident81.7Confident83 Ų8346.8 Ų46.851%0.50924%0.244SC..  trans-72.3145.6176.262.50000109.5L173 S174T171-L173 PolarHBondContact O-N 2.89Å; T171-S174 WeakPolarHBondContact O-CB 3.28Å; T171-S174 PolarHBondContact O-N 3.41Å; T171-S174 PolarHBondContact O-OG 3.28Å
172P82.1Confident81.9Confident26 Ų2647.4 Ų47.417%0.16925%0.247CC..Hα-helixtrans-54.7-35.4174.7-24.432.9000112.6T161 G162 N164 S174 F175 R176T161-P172 HydrophobicContact CG2-CB 4.26Å; T161-P172 CarbonylContact O-C 3.58Å; T161-P172 VanDerWaalsContact O-C 3.25Å; G162-P172 WeakPolarHBondContact CA-O 3.42Å; G162-P172 VanDerWaalsContact O-CB 3.25Å; G162-P172 WeakPolarHBondContact O-CB 3.39Å; N164-P172 HydrophobicContact CB-CG 4.33Å; P172-S174 PolarHBondContact O-N 2.89Å; P172-S174 VanDerWaalsContact O-N 3.16Å; P172-F175 PolarHBondContact O-N 2.75Å; P172-R176 PolarHBondContact O-N 2.97Å
173L87.4Confident82.2Confident49 Ų4947.4 Ų47.426%0.25725%0.246SC..Hα-helixtrans-55.2-33.5176.9-70.1164.7000113.9T161 T171 F175 R176 N277T161-L173 HydrophobicContact CG2-CD2 4.27Å; T161-L173 HydrophobicContact CG2-CG 4.39Å; T161-L173 WeakPolarHBondContact O-CA 3.42Å; T161-L173 WeakPolarHBondContact O-CD2 3.39Å; T161-L173 PolarHBondContact O-N 2.74Å; T161-L173 VanDerWaalsContact O-N 3.11Å; T171-L173 PolarHBondContact O-N 2.89Å; L173-F175 PolarHBondContact O-N 3.41Å; L173-R176 WeakPolarHBondContact O-CB 3.24Å; L173-R176 PolarHBondContact O-N 3.38Å; L173-N277 WeakPolarHBondContact CD1-O 3.41Å
174S87.2Confident82.9Confident27 Ų2746.5 Ų46.519%0.18924%0.242CC..Hα-helixtrans-65.8-24.9178.1660000113.2P4 T171 P172P4-S174 VanDerWaalsContact CB-O 3.29Å; P4-S174 WeakPolarHBondContact CB-O 2.95Å; P4-S174 WeakPolarHBondContact CG-OG 3.5Å; T171-S174 WeakPolarHBondContact O-CB 3.28Å; T171-S174 PolarHBondContact O-N 3.41Å; T171-S174 PolarHBondContact O-OG 3.28Å; P172-S174 PolarHBondContact O-N 2.89Å; P172-S174 VanDerWaalsContact O-N 3.16Å
175F90.2Very high83.9Confident3 Ų347.1 Ų47.11%0.01325%0.245CC..Hα-helixtrans-92.4-10.2176.3-69-89.7000113.1P4 L7 D163 N164 I167 R170 P172 L173 I178 L179P4-F175 HydrophobicContact CB-CD1 4.36Å; P4-F175 HydrophobicContact CB-CE1 4.35Å; P4-F175 HydrophobicContact CB-CZ 4.49Å; P4-F175 HydrophobicContact CG-CD1 4.4Å; P4-F175 HydrophobicContact CG-CD2 4.17Å; P4-F175 HydrophobicContact CG-CE1 4.03Å; P4-F175 HydrophobicContact CG-CE2 3.78Å; P4-F175 HydrophobicContact CG-CG 4.47Å; P4-F175 HydrophobicContact CG-CZ 3.71Å; L7-F175 HydrophobicContact CD1-CE1 3.93Å; D163-F175 WeakPolarHBondContact O-CB 3.17Å; N164-F175 HydrophobicContact CB-CD2 4.05Å; N164-F175 HydrophobicContact CB-CE2 4.02Å; I167-F175 HydrophobicContact CD1-CE2 4.5Å; I167-F175 HydrophobicContact CD1-CZ 3.88Å; R170-F175 HydrophobicContact CB-CE2 3.79Å; R170-F175 HydrophobicContact CG-CE2 4.46Å; P172-F175 PolarHBondContact O-N 2.75Å; L173-F175 PolarHBondContact O-N 3.41Å; F175-I178 HydrophobicContact CB-CG2 4.31Å; F175-I178 HydrophobicContact CD1-CG2 4.28Å; F175-I178 WeakPolarHBondContact O-CG2 3.4Å; F175-I178 PolarHBondContact O-N 3.27Å; F175-L179 HydrophobicContact CB-CD1 4.28Å; F175-L179 WeakPolarHBondContact O-CG 3.29Å; F175-L179 PolarHBondContact O-N 3.34Å
176R93.9Very high85.2Confident45 Ų4541.1 Ų41.117%0.1722%0.218CC..Hα-helixtrans-55.1-43.9-179.3-175.6174.970.5-173.4-1.7113.4I160 P172 L173 I178 L179 R180 N277I160-R176 WeakPolarHBondContact O-CD 3.37Å; I160-R176 PolarHBondContact O-NH1 3.48Å; P172-R176 PolarHBondContact O-N 2.97Å; L173-R176 WeakPolarHBondContact O-CB 3.24Å; L173-R176 PolarHBondContact O-N 3.38Å; R176-I178 VanDerWaalsContact C-N 3.34Å; R176-I178 PolarHBondContact O-N 3.37Å; R176-L179 PolarHBondContact O-N 2.95Å; R176-R180 HydrophobicContact CG-CG 4.13Å; R176-R180 VanDerWaalsContact O-CB 3.3Å; R176-R180 WeakPolarHBondContact O-CB 3.46Å; R176-R180 WeakPolarHBondContact O-CG 3.37Å; R176-R180 PolarHBondContact O-N 3.41Å; R176-N277 PolarHBondContact NH1-OD1 2.71Å; R176-N277 PolarHBondContact NH2-OD1 3.48Å
177P94.1Very high87Confident67 Ų6738 Ų3844%0.43519%0.186SC..Hα-helixtrans-59.2-42.4178.9-25.736.3000113.2Q8 R180 S181Q8-P177 HydrophobicContact CG-CB 4.43Å; Q8-P177 PolarHBondContact OE1-O 3.26Å; P177-R180 PolarHBondContact O-N 3.16Å; P177-S181 PolarHBondContact O-N 2.94Å; P177-S181 VanDerWaalsContact O-N 3.09Å
178I92.4Very high88.8Confident9 Ų937.7 Ų37.75%0.04619%0.185CC..Hα-helixtrans-72.3-40.9-178.5-174.5168.3000111.5L7 Q8 F11 F175 R176 R180 S181 F182L7-I178 HydrophobicContact CB-CD1 3.68Å; Q8-I178 VanDerWaalsContact OE1-CB 3.24Å; F11-I178 HydrophobicContact CB-CD1 4.25Å; F11-I178 HydrophobicContact CD1-CD1 4.44Å; F175-I178 HydrophobicContact CB-CG2 4.31Å; F175-I178 HydrophobicContact CD1-CG2 4.28Å; F175-I178 WeakPolarHBondContact O-CG2 3.4Å; F175-I178 PolarHBondContact O-N 3.27Å; R176-I178 VanDerWaalsContact C-N 3.34Å; R176-I178 PolarHBondContact O-N 3.37Å; I178-R180 VanDerWaalsContact C-N 3.34Å; I178-R180 PolarHBondContact O-N 2.9Å; I178-S181 WeakPolarHBondContact O-CB 3.49Å; I178-S181 PolarHBondContact O-N 2.94Å; I178-S181 PolarHBondContact O-OG 3.1Å; I178-F182 HydrophobicContact CD1-CE1 4.33Å; I178-F182 HydrophobicContact CD1-CZ 3.79Å; I178-F182 HydrophobicContact CG1-CE1 3.7Å; I178-F182 HydrophobicContact CG1-CE2 4.2Å; I178-F182 HydrophobicContact CG1-CZ 3.46Å; I178-F182 VanDerWaalsContact CG1-CZ 3.46Å; I178-F182 WeakPolarHBondContact O-CD1 3.13Å; I178-F182 PolarHBondContact O-N 2.99Å
179L93.8Very high90.8Very high7 Ų728.6 Ų28.64%0.03715%0.145CC..Hα-helixtrans-65.4-38.9176.1-62.6176000111.9D163 F165 F175 R176 S181 F182 I185D163-L179 HydrophobicContact CB-CD1 4.05Å; D163-L179 VanDerWaalsContact N-CD1 3.35Å; F165-L179 HydrophobicContact CE2-CD2 4.23Å; F165-L179 HydrophobicContact CZ-CD2 3.79Å; F175-L179 HydrophobicContact CB-CD1 4.28Å; F175-L179 WeakPolarHBondContact O-CG 3.29Å; F175-L179 PolarHBondContact O-N 3.34Å; R176-L179 PolarHBondContact O-N 2.95Å; L179-S181 PolarHBondContact O-N 2.97Å; L179-F182 PolarHBondContact O-N 3.22Å; L179-I185 HydrophobicContact CD2-CG1 4.42Å
180R96.3Very high92.3Very high28 Ų2824.9 Ų24.911%0.10613%0.131CC..Hα-helixtrans-66.9-17.5172.1-76.3-175.9177.8-173.5-4.6113.3F15 V159 R176 P177 I178 I186 I221 F223F15-R180 WeakPolarHBondContact CE2-O 3.31Å; V159-R180 PolarHBondContact O-NE 2.84Å; V159-R180 PolarHBondContact O-NH2 3.47Å; R176-R180 HydrophobicContact CG-CG 4.13Å; R176-R180 VanDerWaalsContact O-CB 3.3Å; R176-R180 WeakPolarHBondContact O-CB 3.46Å; R176-R180 WeakPolarHBondContact O-CG 3.37Å; R176-R180 PolarHBondContact O-N 3.41Å; P177-R180 PolarHBondContact O-N 3.16Å; I178-R180 VanDerWaalsContact C-N 3.34Å; I178-R180 PolarHBondContact O-N 2.9Å; R180-I186 WeakPolarHBondContact O-CD1 3.33Å; R180-I221 PolarHBondContact NH1-O 2.76Å; R180-I221 PolarHBondContact NH2-O 2.78Å; R180-I221 VanDerWaalsContact NH2-O 3.14Å; R180-F223 HydrophobicContact CB-CD1 4.44Å; R180-F223 HydrophobicContact CB-CE1 3.88Å; R180-F223 HydrophobicContact CB-CE2 4.24Å; R180-F223 HydrophobicContact CB-CZ 3.79Å; R180-F223 HydrophobicContact CG-CD1 3.92Å; R180-F223 HydrophobicContact CG-CE1 3.78Å; R180-F223 HydrophobicContact CG-CG 4.45Å; R180-F223 HydrophobicContact CG-CZ 4.18Å; R180-F223 VanDerWaalsContact O-CZ 3.28Å; R180-F223 WeakPolarHBondContact O-CZ 3.43Å
181S96Very high93.4Very high6 Ų620.6 Ų20.64%0.04212%0.115CC..Hα-helixtrans-82.7-18.6175.677.50000113.4G12 L13 F15 P177 I178 L179 S183G12-S181 WeakPolarHBondContact CA-OG 3.37Å; L13-S181 WeakPolarHBondContact CB-O 3.44Å; L13-S181 PolarHBondContact N-OG 3.49Å; L13-S181 VanDerWaalsContact N-OG 3.11Å; L13-S181 VanDerWaalsContact O-CB 3.29Å; L13-S181 WeakPolarHBondContact O-CB 3.4Å; F15-S181 WeakPolarHBondContact CZ-O 3.31Å; P177-S181 PolarHBondContact O-N 2.94Å; P177-S181 VanDerWaalsContact O-N 3.09Å; I178-S181 WeakPolarHBondContact O-CB 3.49Å; I178-S181 PolarHBondContact O-N 2.94Å; I178-S181 PolarHBondContact O-OG 3.1Å; L179-S181 PolarHBondContact O-N 2.97Å; S181-S183 PolarHBondContact O-N 3.14Å
182F96.1Very high94.2Very high15 Ų1518.5 Ų18.57%0.06610%0.102CC..  trans-88.2112.7-176.7-63.5-6.3000110.4F11 L13 R82 I178 L179 S184 I185 I186F11-F182 AromaticContact CD1-CZ 3.87Å; F11-F182 HydrophobicContact CD1-CZ 3.87Å; F11-F182 HydrophobicContact CE1-CZ 4.23Å; F11-F182 WeakPolarHBondContact O-CE1 3.38Å; L13-F182 HydrophobicContact CD1-CD1 4.12Å; L13-F182 HydrophobicContact CG-CD1 4.41Å; R82-F182 HydrophobicContact CB-CB 4.5Å; R82-F182 HydrophobicContact CB-CD1 3.62Å; R82-F182 HydrophobicContact CB-CD2 4.33Å; R82-F182 HydrophobicContact CB-CE1 3.86Å; R82-F182 HydrophobicContact CB-CG 3.89Å; R82-F182 HydrophobicContact CB-CZ 4.31Å; R82-F182 HydrophobicContact CG-CD1 3.87Å; R82-F182 HydrophobicContact CG-CD2 4.25Å; R82-F182 HydrophobicContact CG-CE1 3.58Å; R82-F182 HydrophobicContact CG-CE2 3.96Å; R82-F182 HydrophobicContact CG-CG 4.22Å; R82-F182 HydrophobicContact CG-CZ 3.62Å; R82-F182 CarbonylContact O-C 3.57Å; R82-F182 WeakPolarHBondContact O-CA 3.41Å; I178-F182 HydrophobicContact CD1-CE1 4.33Å; I178-F182 HydrophobicContact CD1-CZ 3.79Å; I178-F182 HydrophobicContact CG1-CE1 3.7Å; I178-F182 HydrophobicContact CG1-CE2 4.2Å; I178-F182 HydrophobicContact CG1-CZ 3.46Å; I178-F182 VanDerWaalsContact CG1-CZ 3.46Å; I178-F182 WeakPolarHBondContact O-CD1 3.13Å; I178-F182 PolarHBondContact O-N 2.99Å; L179-F182 PolarHBondContact O-N 3.22Å; F182-S184 PolarHBondContact O-N 3.22Å; F182-I185 HydrophobicContact CB-CB 4.14Å; F182-I185 HydrophobicContact CB-CG1 3.8Å; F182-I185 HydrophobicContact CD2-CG1 4.05Å; F182-I185 HydrophobicContact CG-CG1 4.45Å; F182-I185 PolarHBondContact O-N 3.32Å; F182-I185 VanDerWaalsContact O-N 3.16Å; F182-I186 PolarHBondContact O-N 2.99Å; F182-I186 VanDerWaalsContact O-N 3.17Å
183S96.9Very high94.9Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-58.2-32.3173.554.50000111.3R82 K83 L84 E87 S181 I186 S187R82-S183 PolarHBondContact O-N 3.05Å; R82-S183 PolarHBondContact O-OG 3.2Å; K83-S183 WeakPolarHBondContact CA-OG 3.26Å; L84-S183 PolarHBondContact N-OG 2.75Å; E87-S183 WeakPolarHBondContact OE2-CB 3.48Å; E87-S183 PolarHBondContact OE2-OG 2.87Å; S181-S183 PolarHBondContact O-N 3.14Å; S183-I186 PolarHBondContact O-N 3.09Å; S183-S187 WeakPolarHBondContact O-CB 3.26Å; S183-S187 PolarHBondContact O-N 3.35Å
184S96.2Very high95.4Very high4 Ų421.7 Ų21.73%0.02811%0.109CC..Hα-helixtrans-60.5-44.8174.759.40000113.6F81 R82 M118 F182 S187 T188F81-S184 WeakPolarHBondContact O-CB 3.41Å; F81-S184 PolarHBondContact O-OG 3.37Å; R82-S184 PolarHBondContact O-N 2.68Å; R82-S184 PolarHBondContact O-OG 2.77Å; M118-S184 VanDerWaalsContact SD-CB 3.58Å; F182-S184 PolarHBondContact O-N 3.22Å; S184-S187 PolarHBondContact O-N 3.47Å; S184-S187 PolarHBondContact O-OG 3.3Å; S184-T188 PolarHBondContact O-N 2.89Å; S184-T188 PolarHBondContact O-OG1 3.16Å
185I96.2Very high95.9Very high44 Ų4420.4 Ų20.423%0.22610%0.1CC..Hα-helixtrans-66.9-43.5177.3-63.7-62.7000110.4V159 L179 F182 S187 T188V159-I185 HydrophobicContact CG2-CG2 4.04Å; L179-I185 HydrophobicContact CD2-CG1 4.42Å; F182-I185 HydrophobicContact CB-CB 4.14Å; F182-I185 HydrophobicContact CB-CG1 3.8Å; F182-I185 HydrophobicContact CD2-CG1 4.05Å; F182-I185 HydrophobicContact CG-CG1 4.45Å; F182-I185 PolarHBondContact O-N 3.32Å; F182-I185 VanDerWaalsContact O-N 3.16Å; I185-S187 VanDerWaalsContact C-N 3.31Å; I185-S187 PolarHBondContact O-N 2.96Å; I185-T188 PolarHBondContact O-N 2.87Å; I185-T188 PolarHBondContact O-OG1 3.33Å; I185-T188 VanDerWaalsContact O-OG1 3.13Å
186I97.5Very high96.2Very high0 Ų023 Ų230%012%0.117CC..Hα-helixtrans-61.8-41178-66164.1000110.9F15 V159 R180 F182 S183 T188 I189 F223 G226 V229 Y230F15-I186 HydrophobicContact CE2-CD1 3.94Å; F15-I186 HydrophobicContact CZ-CD1 3.66Å; V159-I186 HydrophobicContact CG2-CG1 4.41Å; R180-I186 WeakPolarHBondContact O-CD1 3.33Å; F182-I186 PolarHBondContact O-N 2.99Å; F182-I186 VanDerWaalsContact O-N 3.17Å; S183-I186 PolarHBondContact O-N 3.09Å; I186-T188 PolarHBondContact O-N 3.29Å; I186-I189 WeakPolarHBondContact O-CG1 3.44Å; I186-F223 HydrophobicContact CD1-CE1 3.93Å; I186-F223 HydrophobicContact CD1-CZ 3.93Å; I186-F223 HydrophobicContact CG1-CE1 4.35Å; I186-G226 VanDerWaalsContact CG2-O 3.31Å; I186-G226 WeakPolarHBondContact CG2-O 3.39Å; I186-V229 HydrophobicContact CB-CG1 4.28Å; I186-V229 HydrophobicContact CD1-CB 4.34Å; I186-V229 HydrophobicContact CD1-CG1 3.99Å; I186-V229 HydrophobicContact CG2-CB 4.24Å; I186-V229 HydrophobicContact CG2-CG1 4.01Å; I186-Y230 WeakPolarHBondContact O-CD2 3.43Å
187S96.3Very high96.4Very high1 Ų124.8 Ų24.81%0.00714%0.137CC..Hα-helixtrans-66.7-22.2-178.7750000114.7L84 S183 S184 I185L84-S187 WeakPolarHBondContact CD2-OG 3.44Å; S183-S187 WeakPolarHBondContact O-CB 3.26Å; S183-S187 PolarHBondContact O-N 3.35Å; S184-S187 PolarHBondContact O-N 3.47Å; S184-S187 PolarHBondContact O-OG 3.3Å; I185-S187 VanDerWaalsContact C-N 3.31Å; I185-S187 PolarHBondContact O-N 2.96Å
188T96Very high96.5Very high16 Ų1627.8 Ų27.810%0.09815%0.149CC..THydrogen-bonded Turntrans-10115.1-172.349.40000112.8M118 P148 G151 A152 A155 S184 I185 I186M118-T188 HydrophobicContact CG-CG2 4.48Å; M118-T188 HydrophobicContact SD-CG2 4.23Å; P148-T188 HydrophobicContact CG-CG2 4.47Å; G151-T188 CarbonylContact C-O 3.38Å; G151-T188 WeakPolarHBondContact CA-O 3.23Å; A152-T188 PolarHBondContact N-O 3.14Å; A155-T188 WeakPolarHBondContact CB-O 3.38Å; S184-T188 PolarHBondContact O-N 2.89Å; S184-T188 PolarHBondContact O-OG1 3.16Å; I185-T188 PolarHBondContact O-N 2.87Å; I185-T188 PolarHBondContact O-OG1 3.33Å; I185-T188 VanDerWaalsContact O-OG1 3.13Å; I186-T188 PolarHBondContact O-N 3.29Å
189I97.8Very high96.8Very high0 Ų028.7 Ų28.70%015%0.154CC..SBendtrans-7115916671-178.5000110.7A155 L156 V159 I186 D191 Y214 F218 Y230A155-I189 HydrophobicContact CB-CG2 4.2Å; L156-I189 HydrophobicContact CB-CB 4.43Å; L156-I189 HydrophobicContact CB-CG2 4.26Å; L156-I189 HydrophobicContact CD1-CB 4.16Å; L156-I189 HydrophobicContact CD1-CD1 4.4Å; L156-I189 HydrophobicContact CD1-CG2 4.01Å; V159-I189 HydrophobicContact CG2-CG2 4.12Å; I186-I189 WeakPolarHBondContact O-CG1 3.44Å; I189-D191 PolarHBondContact O-N 3.11Å; I189-Y214 HydrophobicContact CD1-CD2 3.97Å; I189-Y214 HydrophobicContact CD1-CE1 4.29Å; I189-Y214 HydrophobicContact CD1-CE2 3.48Å; I189-Y214 VanDerWaalsContact CD1-CE2 3.48Å; I189-Y214 HydrophobicContact CG1-CE2 3.75Å; I189-F218 HydrophobicContact CD1-CE2 3.81Å; I189-F218 HydrophobicContact CD1-CZ 3.82Å; I189-Y230 HydrophobicContact CD1-CD1 4.48Å; I189-Y230 HydrophobicContact CD1-CD2 3.55Å; I189-Y230 HydrophobicContact CD1-CE2 3.82Å; I189-Y230 HydrophobicContact CD1-CG 3.9Å; I189-Y230 HydrophobicContact CG1-CD2 3.52Å; I189-Y230 HydrophobicContact CG1-CE2 3.39Å; I189-Y230 HydrophobicContact CG1-CG 4.35Å
190P98.2Very high97Very high0 Ų030 Ų300%016%0.162CC..  trans-45.7123-179.6-34.639.7000115.3G150 A152 V153 W195 I201 A211 Y214 Y230G150-P190 CarbonylContact O-C 3.55Å; G150-P190 VanDerWaalsContact O-CA 3.31Å; G150-P190 WeakPolarHBondContact O-CA 3.31Å; A152-P190 WeakPolarHBondContact O-CD 3.38Å; V153-P190 HydrophobicContact CG2-CG 4.09Å; P190-W195 HydrophobicContact CB-CD2 3.61Å; P190-W195 HydrophobicContact CB-CE3 4.18Å; P190-W195 HydrophobicContact CB-CG 3.76Å; P190-W195 HydrophobicContact CB-CZ2 4.19Å; P190-W195 HydrophobicContact CG-CD2 4.33Å; P190-W195 HydrophobicContact CG-CH2 4.48Å; P190-W195 HydrophobicContact CG-CZ2 4.12Å; P190-I201 HydrophobicContact CB-CD1 3.58Å; P190-I201 HydrophobicContact CG-CD1 3.83Å; P190-A211 HydrophobicContact CB-CB 4.22Å; P190-Y214 WeakPolarHBondContact CA-OH 3.34Å; P190-Y214 VanDerWaalsContact CB-OH 3.3Å; P190-Y214 WeakPolarHBondContact CB-OH 3.44Å; P190-Y214 VanDerWaalsContact CD-OH 3.24Å; P190-Y214 WeakPolarHBondContact CD-OH 3.35Å; P190-Y214 WeakPolarHBondContact O-CE2 3.49Å; P190-Y214 VanDerWaalsContact O-CZ 3.32Å; P190-Y214 PolarHBondContact O-OH 3.14Å; P190-Y230 PolarHBondContact O-OH 2.86Å
191D97.5Very high97.1Very high2 Ų228.6 Ų28.61%0.01116%0.157CC..  trans-85.4120.6-177.1-165.1-50.5000112G150 I189 R193 I194 W195 Y230G150-D191 PolarHBondContact O-N 3.23Å; I189-D191 PolarHBondContact O-N 3.11Å; D191-R193 PolarHBondContact O-N 3.48Å; D191-R193 WeakPolarHBondContact OD1-CB 3.47Å; D191-R193 VanDerWaalsContact OD1-CG 3.27Å; D191-R193 WeakPolarHBondContact OD1-CG 3.24Å; D191-R193 IonicContact OD1-CZ 3.8Å; D191-R193 PolarHBondContact OD1-N 3.05Å; D191-R193 IonicContact OD1-NE 3.95Å; D191-R193 PolarHBondContact OD1-NE 3.49Å; D191-R193 IonicContact OD1-NH2 3.29Å; D191-R193 IonicContact OD2-CZ 2.87Å; D191-R193 VanDerWaalsContact OD2-CZ 3.29Å; D191-R193 IonicContact OD2-NE 2.99Å; D191-R193 PolarHBondContact OD2-NE 3.16Å; D191-R193 VanDerWaalsContact OD2-NE 3.15Å; D191-R193 IonicContact OD2-NH2 2.77Å; D191-R193 PolarHBondContact OD2-NH2 2.81Å; D191-I194 PolarHBondContact O-N 2.86Å; D191-W195 VanDerWaalsContact N-CD1 3.33Å; D191-W195 VanDerWaalsContact O-CD1 3.24Å; D191-W195 PolarHBondContact O-N 3.1Å; D191-Y230 WeakPolarHBondContact CA-OH 3.24Å
192P97.3Very high97.2Very high39 Ų3928.4 Ų28.425%0.25316%0.155SC..THydrogen-bonded Turntrans-64.8-11.8-178.927.9-33.7000113.9I194 A211 H212 Y230P192-I194 VanDerWaalsContact C-N 3.27Å; P192-A211 HydrophobicContact CB-CB 4.15Å; P192-H212 PolarHBondContact O-CE1 2.65Å; P192-H212 PolarHBondContact O-NE2 2.87Å; P192-Y230 WeakPolarHBondContact CD-OH 3.3Å
193R96.7Very high97.3Very high117 Ų11729.2 Ų29.244%0.44216%0.162SC..THydrogen-bonded Turntrans-74.3-18.5170.3-58.9173-68.21733.5112.7D191 M238 L240D191-R193 PolarHBondContact O-N 3.48Å; D191-R193 WeakPolarHBondContact OD1-CB 3.47Å; D191-R193 VanDerWaalsContact OD1-CG 3.27Å; D191-R193 WeakPolarHBondContact OD1-CG 3.24Å; D191-R193 IonicContact OD1-CZ 3.8Å; D191-R193 PolarHBondContact OD1-N 3.05Å; D191-R193 IonicContact OD1-NE 3.95Å; D191-R193 PolarHBondContact OD1-NE 3.49Å; D191-R193 IonicContact OD1-NH2 3.29Å; D191-R193 IonicContact OD2-CZ 2.87Å; D191-R193 VanDerWaalsContact OD2-CZ 3.29Å; D191-R193 IonicContact OD2-NE 2.99Å; D191-R193 PolarHBondContact OD2-NE 3.16Å; D191-R193 VanDerWaalsContact OD2-NE 3.15Å; D191-R193 IonicContact OD2-NH2 2.77Å; D191-R193 PolarHBondContact OD2-NH2 2.81Å; R193-M238 PolarHBondContact NH1-O 2.98Å; R193-M238 PolarHBondContact NH2-O 3.41Å; R193-L240 HydrophobicContact CB-CD1 3.98Å
194I96.9Very high97.3Very high25 Ų2529.7 Ų29.713%0.12817%0.165CC..THydrogen-bonded Turntrans-114.6-39.2179.2-68.8171.7000111.4F149 G150 D191 P192 L240 H298F149-I194 HydrophobicContact CB-CD1 4.27Å; G150-I194 VanDerWaalsContact CA-CD1 3.41Å; D191-I194 PolarHBondContact O-N 2.86Å; P192-I194 VanDerWaalsContact C-N 3.27Å; I194-L240 HydrophobicContact CD1-CD1 3.87Å; I194-L240 HydrophobicContact CD1-CD2 3.66Å; I194-L240 HydrophobicContact CD1-CG 4.43Å; I194-L240 HydrophobicContact CG1-CD1 3.96Å; I194-H298 HydrophobicContact CD1-CB 4.08Å; I194-H298 VanDerWaalsContact CD1-ND1 3.29Å; I194-H298 WeakPolarHBondContact CD1-ND1 3.44Å
195W97.6Very high97.3Very high1 Ų132.5 Ų32.50%0.00418%0.183CC..SBendtrans-84124.5-176.8-70.972.1000111G150 V153 P190 D191 D199 I201 A211 H212 N292 Q294G150-W195 VanDerWaalsContact O-CD1 3.3Å; G150-W195 PolarHBondContact O-NE1 2.9Å; V153-W195 HydrophobicContact CG2-CH2 3.36Å; V153-W195 HydrophobicContact CG2-CZ2 4.12Å; V153-W195 HydrophobicContact CG2-CZ3 3.83Å; P190-W195 HydrophobicContact CB-CD2 3.61Å; P190-W195 HydrophobicContact CB-CE3 4.18Å; P190-W195 HydrophobicContact CB-CG 3.76Å; P190-W195 HydrophobicContact CB-CZ2 4.19Å; P190-W195 HydrophobicContact CG-CD2 4.33Å; P190-W195 HydrophobicContact CG-CH2 4.48Å; P190-W195 HydrophobicContact CG-CZ2 4.12Å; D191-W195 VanDerWaalsContact N-CD1 3.33Å; D191-W195 VanDerWaalsContact O-CD1 3.24Å; D191-W195 PolarHBondContact O-N 3.1Å; W195-D199 WeakPolarHBondContact CZ3-OD2 3.37Å; W195-I201 HydrophobicContact CD2-CD1 4.12Å; W195-I201 HydrophobicContact CE3-CD1 3.5Å; W195-I201 HydrophobicContact CE3-CG1 3.98Å; W195-I201 HydrophobicContact CZ3-CD1 3.98Å; W195-I201 HydrophobicContact CZ3-CG1 4.12Å; W195-A211 HydrophobicContact CB-CB 3.8Å; W195-A211 HydrophobicContact CG-CB 4.49Å; W195-H212 PolarHBondContact O-NE2 3.36Å; W195-N292 HydrophobicContact CH2-CB 3.81Å; W195-N292 VanDerWaalsContact CH2-CG 3.48Å; W195-N292 HydrophobicContact CZ2-CB 3.82Å; W195-Q294 HydrophobicContact CZ2-CG 4.22Å
196P97.1Very high97.2Very high56 Ų5637.8 Ų37.836%0.36421%0.211SC..  trans-59.3153.4-179.5-24.834.9000113.5D198 D199P196-D198 WeakPolarHBondContact CB-OD1 3.22Å; P196-D198 PolarHBondContact O-N 3.09Å; P196-D199 HydrophobicContact CB-CB 4.26Å; P196-D199 PolarHBondContact O-N 2.87Å
197S97.4Very high97.2Very high83 Ų8341.3 Ų41.358%0.5823%0.227SC*.THydrogen-bonded Turntrans-69.7-20.9-179.353.60000114.3T210 H212S197-T210 VanDerWaalsContact O-CG2 3.23Å; S197-T210 WeakPolarHBondContact O-CG2 3.3Å; S197-T210 PolarHBondContact O-OG1 3.25Å; S197-H212 VanDerWaalsContact CA-CD2 3.44Å; S197-H212 WeakPolarHBondContact CA-CD2 3.47Å
198D97.2Very high97.2Very high130 Ų13045.2 Ų45.270%0.69525%0.247SC*.THydrogen-bonded Turntrans-95.1-5.1177.961.9-33.4000113.4P196 V200P196-D198 WeakPolarHBondContact CB-OD1 3.22Å; P196-D198 PolarHBondContact O-N 3.09Å; D198-V200 PolarHBondContact O-N 2.74Å; D198-V200 VanDerWaalsContact O-N 3.15Å
199D97.1Very high97.4Very high29 Ų2945 Ų4516%0.15525%0.245CC..  trans-78.3100.6178.4-166.510.7000111W195 P196 I201 T210 Q294W195-D199 WeakPolarHBondContact CZ3-OD2 3.37Å; P196-D199 HydrophobicContact CB-CB 4.26Å; P196-D199 PolarHBondContact O-N 2.87Å; D199-I201 PolarHBondContact O-N 3.2Å; D199-T210 WeakPolarHBondContact O-CA 3.43Å; D199-T210 WeakPolarHBondContact O-CB 3.36Å; D199-T210 WeakPolarHBondContact O-CG2 3.4Å; D199-Q294 PolarHBondContact OD2-NE2 3.41Å
200V98.3Very high97.4Very high33 Ų3345.5 Ų45.520%0.225%0.248CC..  trans-75.6108.7179.4179.20000110.2D198 I202 N208 T210 R262D198-V200 PolarHBondContact O-N 2.74Å; D198-V200 VanDerWaalsContact O-N 3.15Å; V200-I202 WeakPolarHBondContact CG1-O 3.35Å; V200-N208 HydrophobicContact CG1-CB 3.8Å; V200-N208 HydrophobicContact CG2-CB 4.27Å; V200-T210 HydrophobicContact CG2-CG2 4.35Å; V200-R262 WeakPolarHBondContact O-CD 2.99Å
201I98.2Very high97.4Very high0 Ų045.6 Ų45.60%025%0.249CC..  trans-92.6-28-178.5-53.1175.7000111V153 L156 P190 W195 D199 Y209 A211 R262 L263V153-I201 HydrophobicContact CB-CG2 4.28Å; V153-I201 HydrophobicContact CG1-CG2 3.64Å; V153-I201 HydrophobicContact CG2-CG2 3.8Å; L156-I201 HydrophobicContact CD2-CG2 3.76Å; P190-I201 HydrophobicContact CB-CD1 3.58Å; P190-I201 HydrophobicContact CG-CD1 3.83Å; W195-I201 HydrophobicContact CD2-CD1 4.12Å; W195-I201 HydrophobicContact CE3-CD1 3.5Å; W195-I201 HydrophobicContact CE3-CG1 3.98Å; W195-I201 HydrophobicContact CZ3-CD1 3.98Å; W195-I201 HydrophobicContact CZ3-CG1 4.12Å; D199-I201 PolarHBondContact O-N 3.2Å; I201-Y209 PolarHBondContact N-O 3.16Å; I201-A211 HydrophobicContact CD1-CB 3.99Å; I201-R262 CarbonylContact O-C 3.55Å; I201-R262 VanDerWaalsContact O-CA 3.32Å; I201-R262 WeakPolarHBondContact O-CA 3.12Å; I201-L263 PolarHBondContact O-N 3.47Å
202I98.5Very high97.4Very high1 Ų149.6 Ų49.61%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-132.1130.3178.9-54.9156.4000109.5L156 I160 V200 T204 N208 Y209 L217 L263 Y265 F275L156-I202 HydrophobicContact CD2-CD1 3.74Å; L156-I202 HydrophobicContact CD2-CG1 4.16Å; L156-I202 HydrophobicContact CG-CD1 4.26Å; I160-I202 HydrophobicContact CD1-CD1 3.34Å; I160-I202 HydrophobicContact CD1-CG1 4.13Å; V200-I202 WeakPolarHBondContact CG1-O 3.35Å; I202-T204 HydrophobicContact CG2-CG2 3.99Å; I202-N208 CarbonylContact O-C 3.6Å; I202-N208 WeakPolarHBondContact O-CA 3.41Å; I202-Y209 HydrophobicContact CB-CD2 4.02Å; I202-Y209 HydrophobicContact CG2-CD2 3.96Å; I202-Y209 PolarHBondContact N-O 3.17Å; I202-Y209 PolarHBondContact O-N 3.21Å; I202-L217 HydrophobicContact CD1-CD1 3.64Å; I202-L217 HydrophobicContact CD1-CD2 3.48Å; I202-L217 VanDerWaalsContact CD1-CD2 3.48Å; I202-L217 HydrophobicContact CD1-CG 4.21Å; I202-L263 WeakPolarHBondContact CA-O 3.44Å; I202-L263 HydrophobicContact CG1-CB 4.39Å; I202-L263 HydrophobicContact CG1-CD1 4.41Å; I202-Y265 HydrophobicContact CG2-CD2 3.8Å; I202-Y265 HydrophobicContact CG2-CE2 3.78Å; I202-F275 HydrophobicContact CG2-CE2 4.31Å
203T98.3Very high97.4Very high32 Ų3250.4 Ų50.420%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-116125.1170.2-66.30000109N208 L263 I264 Y265T203-N208 WeakPolarHBondContact CA-OD1 3.04Å; T203-N208 WeakPolarHBondContact CB-OD1 3.5Å; T203-N208 WeakPolarHBondContact CG2-OD1 3.27Å; T203-N208 PolarHBondContact OG1-OD1 2.98Å; T203-L263 PolarHBondContact N-O 3.36Å; T203-I264 HydrophobicContact CG2-CG2 4.46Å; T203-Y265 PolarHBondContact O-N 2.84Å
204T97.7Very high97.5Very high11 Ų1145 Ų457%0.06725%0.249CC..  trans-118168.4171.1720000109.1I202 D206 K207 Y209 Y265 F275I202-T204 HydrophobicContact CG2-CG2 3.99Å; T204-D206 PolarHBondContact O-N 2.84Å; T204-K207 WeakPolarHBondContact CB-O 3.32Å; T204-K207 PolarHBondContact N-O 3.18Å; T204-K207 PolarHBondContact OG1-N 3.05Å; T204-K207 PolarHBondContact OG1-O 3.17Å; T204-Y209 HydrophobicContact CG2-CD2 4.37Å; T204-Y209 HydrophobicContact CG2-CE2 3.77Å; T204-Y265 HydrophobicContact CG2-CD2 4.25Å; T204-F275 HydrophobicContact CG2-CB 4.41Å; T204-F275 HydrophobicContact CG2-CD1 4.08Å; T204-F275 HydrophobicContact CG2-CD2 3.74Å; T204-F275 HydrophobicContact CG2-CE1 4.24Å; T204-F275 HydrophobicContact CG2-CE2 3.9Å; T204-F275 HydrophobicContact CG2-CG 3.82Å; T204-F275 HydrophobicContact CG2-CZ 4.15Å
205P95.9Very high97.6Very high63 Ų6346.9 Ų46.941%0.40926%0.263SS..SBendtrans-55.4-37.3176.3-2737000113.5P267P205-P267 HydrophobicContact CB-CG 4.19Å; P205-P267 HydrophobicContact CG-CB 4.24Å; P205-P267 HydrophobicContact CG-CG 3.92Å
206D94.1Very high97.6Very high154 Ų15448.5 Ų48.582%0.82428%0.275SS*.SBendtrans-100.5-22.9-170.5-48.7-59.8000112.8T204T204-D206 PolarHBondContact O-N 2.84Å
207K96.2Very high97.6Very high75 Ų7545.9 Ų45.933%0.32626%0.257SS..  trans-157.9147.4-169.6-172.4167.2165.9-162.30114.2T204 Y209 S216 D220T204-K207 WeakPolarHBondContact CB-O 3.32Å; T204-K207 PolarHBondContact N-O 3.18Å; T204-K207 PolarHBondContact OG1-N 3.05Å; T204-K207 PolarHBondContact OG1-O 3.17Å; K207-Y209 HydrophobicContact CB-CE2 4.13Å; K207-Y209 HydrophobicContact CD-CE1 3.8Å; K207-Y209 HydrophobicContact CD-CE2 4.48Å; K207-Y209 VanDerWaalsContact CE-CE1 3.48Å; K207-Y209 HydrophobicContact CG-CE1 4.19Å; K207-Y209 HydrophobicContact CG-CE2 4.13Å; K207-S216 PolarHBondContact NZ-OG 3.13Å; K207-D220 IonicContact NZ-OD2 2.82Å; K207-D220 PolarHBondContact NZ-OD2 3.31Å
208N98.1Very high97.7Very high82 Ų8241.9 Ų41.944%0.43923%0.23SC..EExtended strand (participates in β ladder)trans-100.3146167-73.8-35.1000110.4V200 I202 T203V200-N208 HydrophobicContact CG1-CB 3.8Å; V200-N208 HydrophobicContact CG2-CB 4.27Å; I202-N208 CarbonylContact O-C 3.6Å; I202-N208 WeakPolarHBondContact O-CA 3.41Å; T203-N208 WeakPolarHBondContact CA-OD1 3.04Å; T203-N208 WeakPolarHBondContact CB-OD1 3.5Å; T203-N208 WeakPolarHBondContact CG2-OD1 3.27Å; T203-N208 PolarHBondContact OG1-OD1 2.98Å
209Y98.6Very high97.7Very high11 Ų1141.5 Ų41.54%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-127.2133.1175-50.4-99.2000110.7I201 I202 T204 K207 N213 L217 D220I201-Y209 PolarHBondContact N-O 3.16Å; I202-Y209 HydrophobicContact CB-CD2 4.02Å; I202-Y209 HydrophobicContact CG2-CD2 3.96Å; I202-Y209 PolarHBondContact N-O 3.17Å; I202-Y209 PolarHBondContact O-N 3.21Å; T204-Y209 HydrophobicContact CG2-CD2 4.37Å; T204-Y209 HydrophobicContact CG2-CE2 3.77Å; K207-Y209 HydrophobicContact CB-CE2 4.13Å; K207-Y209 HydrophobicContact CD-CE1 3.8Å; K207-Y209 HydrophobicContact CD-CE2 4.48Å; K207-Y209 VanDerWaalsContact CE-CE1 3.48Å; K207-Y209 HydrophobicContact CG-CE1 4.19Å; K207-Y209 HydrophobicContact CG-CE2 4.13Å; Y209-N213 HydrophobicContact CD1-CB 4.11Å; Y209-L217 HydrophobicContact CD1-CB 3.69Å; Y209-L217 HydrophobicContact CD1-CD1 4Å; Y209-L217 HydrophobicContact CD1-CG 4.41Å; Y209-L217 HydrophobicContact CD2-CD1 4.17Å; Y209-L217 HydrophobicContact CE1-CB 4.06Å; Y209-L217 HydrophobicContact CE1-CD1 4.17Å; Y209-L217 HydrophobicContact CE2-CD1 4.37Å; Y209-L217 HydrophobicContact CG-CB 4.35Å; Y209-L217 HydrophobicContact CG-CD1 4Å; Y209-D220 WeakPolarHBondContact CE1-OD2 3.37Å; Y209-D220 PolarHBondContact OH-OD2 3.23Å
210T98.6Very high97.7Very high11 Ų1143.6 Ų43.67%0.06724%0.235CC..  trans-103.8177.1166.577.10000109.9S197 D199 V200 H212 N213S197-T210 VanDerWaalsContact O-CG2 3.23Å; S197-T210 WeakPolarHBondContact O-CG2 3.3Å; S197-T210 PolarHBondContact O-OG1 3.25Å; D199-T210 WeakPolarHBondContact O-CA 3.43Å; D199-T210 WeakPolarHBondContact O-CB 3.36Å; D199-T210 WeakPolarHBondContact O-CG2 3.4Å; V200-T210 HydrophobicContact CG2-CG2 4.35Å; T210-H212 PolarHBondContact O-N 3.46Å; T210-H212 VanDerWaalsContact O-N 3.09Å; T210-H212 PolarHBondContact OG1-N 3.19Å; T210-N213 PolarHBondContact N-OD1 3.31Å; T210-N213 PolarHBondContact O-N 3.49Å; T210-N213 PolarHBondContact OG1-OD1 3.4Å
211A97.8Very high97.7Very high2 Ų242.4 Ų42.42%0.01723%0.227CC..G310 helixtrans-57.8-20.9172.700000112.9P190 P192 W195 I201 N213 Y214P190-A211 HydrophobicContact CB-CB 4.22Å; P192-A211 HydrophobicContact CB-CB 4.15Å; W195-A211 HydrophobicContact CB-CB 3.8Å; W195-A211 HydrophobicContact CG-CB 4.49Å; I201-A211 HydrophobicContact CD1-CB 3.99Å; A211-N213 VanDerWaalsContact C-N 3.35Å; A211-Y214 HydrophobicContact CB-CE2 4.48Å; A211-Y214 VanDerWaalsContact O-CD2 3.29Å; A211-Y214 WeakPolarHBondContact O-CD2 3.23Å
212H98.1Very high97.6Very high86 Ų8645.3 Ų45.340%0.39826%0.257SS..G310 helixtrans-85.8-6.2-179.8-63.1-101.7000113P192 W195 S197 T210P192-H212 PolarHBondContact O-CE1 2.65Å; P192-H212 PolarHBondContact O-NE2 2.87Å; W195-H212 PolarHBondContact O-NE2 3.36Å; S197-H212 VanDerWaalsContact CA-CD2 3.44Å; S197-H212 WeakPolarHBondContact CA-CD2 3.47Å; T210-H212 PolarHBondContact O-N 3.46Å; T210-H212 VanDerWaalsContact O-N 3.09Å; T210-H212 PolarHBondContact OG1-N 3.19Å
213N98Very high97.6Very high56 Ų5646.3 Ų46.330%0.29926%0.261SS..G310 helixtrans-102.114-179.3-54.8130.9000114.2Y209 T210 A211 P215 S216 L217Y209-N213 HydrophobicContact CD1-CB 4.11Å; T210-N213 PolarHBondContact N-OD1 3.31Å; T210-N213 PolarHBondContact O-N 3.49Å; T210-N213 PolarHBondContact OG1-OD1 3.4Å; A211-N213 VanDerWaalsContact C-N 3.35Å; N213-P215 VanDerWaalsContact C-CD 3.47Å; N213-S216 PolarHBondContact O-N 2.9Å; N213-S216 VanDerWaalsContact O-N 3.12Å; N213-S216 PolarHBondContact O-OG 3.29Å; N213-L217 PolarHBondContact O-N 3.13Å
214Y98Very high97.6Very high4 Ų448 Ų482%0.01627%0.272CS..Hα-helixtrans-53.2-42.2-176.8-72-15.6000116.6L156 I189 P190 A211 S216 L217 F218 Y230L156-Y214 HydrophobicContact CD1-CE1 4.26Å; L156-Y214 HydrophobicContact CD2-CE1 4.33Å; I189-Y214 HydrophobicContact CD1-CD2 3.97Å; I189-Y214 HydrophobicContact CD1-CE1 4.29Å; I189-Y214 HydrophobicContact CD1-CE2 3.48Å; I189-Y214 VanDerWaalsContact CD1-CE2 3.48Å; I189-Y214 HydrophobicContact CG1-CE2 3.75Å; P190-Y214 WeakPolarHBondContact CA-OH 3.34Å; P190-Y214 VanDerWaalsContact CB-OH 3.3Å; P190-Y214 WeakPolarHBondContact CB-OH 3.44Å; P190-Y214 VanDerWaalsContact CD-OH 3.24Å; P190-Y214 WeakPolarHBondContact CD-OH 3.35Å; P190-Y214 WeakPolarHBondContact O-CE2 3.49Å; P190-Y214 VanDerWaalsContact O-CZ 3.32Å; P190-Y214 PolarHBondContact O-OH 3.14Å; A211-Y214 HydrophobicContact CB-CE2 4.48Å; A211-Y214 VanDerWaalsContact O-CD2 3.29Å; A211-Y214 WeakPolarHBondContact O-CD2 3.23Å; Y214-S216 VanDerWaalsContact C-N 3.25Å; Y214-S216 PolarHBondContact O-N 3.35Å; Y214-L217 HydrophobicContact CD1-CD2 3.88Å; Y214-L217 HydrophobicContact CE1-CD2 4.12Å; Y214-L217 PolarHBondContact O-N 3.31Å; Y214-F218 HydrophobicContact CG-CE2 4.3Å; Y214-F218 WeakPolarHBondContact O-CB 3.19Å; Y214-F218 VanDerWaalsContact O-CD2 3.3Å; Y214-F218 WeakPolarHBondContact O-CD2 3.15Å; Y214-F218 PolarHBondContact O-N 2.86Å; Y214-Y230 HydrophobicContact CD2-CD1 4.01Å; Y214-Y230 AromaticContact CD2-CE1 3.59Å; Y214-Y230 HydrophobicContact CD2-CE1 3.59Å; Y214-Y230 AromaticContact CD2-CZ 3.99Å; Y214-Y230 HydrophobicContact CE2-CD1 4.5Å; Y214-Y230 AromaticContact CE2-CE1 3.87Å; Y214-Y230 HydrophobicContact CE2-CE1 3.87Å; Y214-Y230 HydrophobicContact CE2-CE2 4.32Å; Y214-Y230 AromaticContact CE2-CZ 3.75Å
215P98Very high97.5Very high65 Ų6550 Ų5042%0.42229%0.285SS..Hα-helixtrans-52.3-47.2175.8-20.625.1000112.4N213 Q219 Y227N213-P215 VanDerWaalsContact C-CD 3.47Å; P215-Q219 PolarHBondContact O-N 3.12Å; P215-Y227 HydrophobicContact CB-CD1 4.31Å; P215-Y227 HydrophobicContact CB-CE1 3.95Å; P215-Y227 HydrophobicContact CG-CD1 4.43Å; P215-Y227 HydrophobicContact CG-CE1 3.68Å; P215-Y227 HydrophobicContact CG-CE2 4.13Å
216S97.8Very high97.6Very high35 Ų3547 Ų4725%0.24527%0.265CS..Hα-helixtrans-72.3-43.3179.569.80000112.3K207 N213 Y214 F218 Q219 D220K207-S216 PolarHBondContact NZ-OG 3.13Å; N213-S216 PolarHBondContact O-N 2.9Å; N213-S216 VanDerWaalsContact O-N 3.12Å; N213-S216 PolarHBondContact O-OG 3.29Å; Y214-S216 VanDerWaalsContact C-N 3.25Å; Y214-S216 PolarHBondContact O-N 3.35Å; S216-F218 VanDerWaalsContact C-N 3.34Å; S216-F218 PolarHBondContact O-N 3.1Å; S216-Q219 WeakPolarHBondContact O-CB 3.29Å; S216-Q219 PolarHBondContact O-N 3.33Å; S216-Q219 VanDerWaalsContact O-N 3.14Å; S216-D220 WeakPolarHBondContact O-CB 3.23Å; S216-D220 PolarHBondContact O-N 3.12Å; S216-D220 VanDerWaalsContact O-OD2 3.08Å
217L98.2Very high97.8Very high0 Ų042.2 Ų42.20%024%0.236CC..Hα-helixtrans-56.4-48.2177.5175.564.9000111.8L156 I160 I202 Y209 N213 Y214 Q219 D220 I221 F275L156-L217 HydrophobicContact CD1-CD2 4.04Å; I160-L217 HydrophobicContact CD1-CD1 4.22Å; I160-L217 HydrophobicContact CD1-CD2 4.31Å; I202-L217 HydrophobicContact CD1-CD1 3.64Å; I202-L217 HydrophobicContact CD1-CD2 3.48Å; I202-L217 VanDerWaalsContact CD1-CD2 3.48Å; I202-L217 HydrophobicContact CD1-CG 4.21Å; Y209-L217 HydrophobicContact CD1-CB 3.69Å; Y209-L217 HydrophobicContact CD1-CD1 4Å; Y209-L217 HydrophobicContact CD1-CG 4.41Å; Y209-L217 HydrophobicContact CD2-CD1 4.17Å; Y209-L217 HydrophobicContact CE1-CB 4.06Å; Y209-L217 HydrophobicContact CE1-CD1 4.17Å; Y209-L217 HydrophobicContact CE2-CD1 4.37Å; Y209-L217 HydrophobicContact CG-CB 4.35Å; Y209-L217 HydrophobicContact CG-CD1 4Å; N213-L217 PolarHBondContact O-N 3.13Å; Y214-L217 HydrophobicContact CD1-CD2 3.88Å; Y214-L217 HydrophobicContact CE1-CD2 4.12Å; Y214-L217 PolarHBondContact O-N 3.31Å; L217-Q219 VanDerWaalsContact C-N 3.27Å; L217-Q219 PolarHBondContact O-N 2.92Å; L217-D220 PolarHBondContact O-N 3.34Å; L217-I221 HydrophobicContact CD1-CG2 3.98Å; L217-I221 WeakPolarHBondContact O-CG1 3.28Å; L217-I221 WeakPolarHBondContact O-CG2 3.27Å; L217-I221 PolarHBondContact O-N 2.96Å; L217-F275 HydrophobicContact CD1-CZ 3.9Å
218F98.4Very high97.9Very high0 Ų042.5 Ų42.50%024%0.239CC..Hα-helixtrans-67.4-29.3-178.5-84.6-80.8000112.6V159 I189 Y214 S216 I221 F223 Y227V159-F218 HydrophobicContact CG1-CE1 3.76Å; V159-F218 HydrophobicContact CG1-CZ 4.21Å; I189-F218 HydrophobicContact CD1-CE2 3.81Å; I189-F218 HydrophobicContact CD1-CZ 3.82Å; Y214-F218 HydrophobicContact CG-CE2 4.3Å; Y214-F218 WeakPolarHBondContact O-CB 3.19Å; Y214-F218 VanDerWaalsContact O-CD2 3.3Å; Y214-F218 WeakPolarHBondContact O-CD2 3.15Å; Y214-F218 PolarHBondContact O-N 2.86Å; S216-F218 VanDerWaalsContact C-N 3.34Å; S216-F218 PolarHBondContact O-N 3.1Å; F218-I221 HydrophobicContact CD1-CD1 4.03Å; F218-I221 HydrophobicContact CE1-CD1 4.44Å; F218-F223 HydrophobicContact CD1-CB 4.39Å; F218-F223 AromaticContact CD1-CD1 3.84Å; F218-F223 HydrophobicContact CD1-CD1 3.84Å; F218-F223 HydrophobicContact CD1-CG 4.47Å; F218-F223 VanDerWaalsContact CD1-O 3.24Å; F218-F223 WeakPolarHBondContact CD1-O 3.44Å; F218-F223 AromaticContact CE1-CD1 3.77Å; F218-F223 HydrophobicContact CE1-CD1 3.77Å; F218-F223 HydrophobicContact CE1-CE1 4.19Å; F218-F223 CarbonylContact O-C 3.5Å; F218-F223 WeakPolarHBondContact O-CA 3.24Å; F218-F223 PolarHBondContact O-N 2.8Å; F218-Y227 HydrophobicContact CD2-CD2 4.09Å; F218-Y227 HydrophobicContact CD2-CG 4.28Å; F218-Y227 HydrophobicContact CE2-CD2 4.45Å
219Q98.2Very high97.9Very high122 Ų12238.6 Ų38.657%0.5722%0.218SC*.Hα-helixtrans-66.9-50.3169.1-174.461.63400110.8P215 S216 L217 I221 G222P215-Q219 PolarHBondContact O-N 3.12Å; S216-Q219 WeakPolarHBondContact O-CB 3.29Å; S216-Q219 PolarHBondContact O-N 3.33Å; S216-Q219 VanDerWaalsContact O-N 3.14Å; L217-Q219 VanDerWaalsContact C-N 3.27Å; L217-Q219 PolarHBondContact O-N 2.92Å; Q219-I221 VanDerWaalsContact C-N 3.26Å; Q219-I221 PolarHBondContact O-N 2.84Å; Q219-G222 PolarHBondContact O-N 3.24Å
220D97.6Very high97.8Very high73 Ų7338.5 Ų38.539%0.3922%0.217SC..Hα-helixtrans-65-28.2-174.6-62.3-24.4000112.2K207 Y209 S216 L217 F275K207-D220 IonicContact NZ-OD2 2.82Å; K207-D220 PolarHBondContact NZ-OD2 3.31Å; Y209-D220 WeakPolarHBondContact CE1-OD2 3.37Å; Y209-D220 PolarHBondContact OH-OD2 3.23Å; S216-D220 WeakPolarHBondContact O-CB 3.23Å; S216-D220 PolarHBondContact O-N 3.12Å; S216-D220 VanDerWaalsContact O-OD2 3.08Å; L217-D220 PolarHBondContact O-N 3.34Å; D220-F275 HydrophobicContact CB-CE1 4.46Å
221I97.2Very high97.7Very high8 Ų842.1 Ų42.14%0.04123%0.232CC..THydrogen-bonded Turntrans-90.66.1175.173.3-178.2000114.6V159 I160 R180 L217 F218 Q219 F223 F275 P276V159-I221 HydrophobicContact CG1-CD1 4.17Å; I160-I221 HydrophobicContact CG1-CD1 4.17Å; I160-I221 HydrophobicContact CG1-CG2 4.38Å; I160-I221 HydrophobicContact CG2-CG2 4.16Å; R180-I221 PolarHBondContact NH1-O 2.76Å; R180-I221 PolarHBondContact NH2-O 2.78Å; R180-I221 VanDerWaalsContact NH2-O 3.14Å; L217-I221 HydrophobicContact CD1-CG2 3.98Å; L217-I221 WeakPolarHBondContact O-CG1 3.28Å; L217-I221 WeakPolarHBondContact O-CG2 3.27Å; L217-I221 PolarHBondContact O-N 2.96Å; F218-I221 HydrophobicContact CD1-CD1 4.03Å; F218-I221 HydrophobicContact CE1-CD1 4.44Å; Q219-I221 VanDerWaalsContact C-N 3.26Å; Q219-I221 PolarHBondContact O-N 2.84Å; I221-F223 HydrophobicContact CD1-CB 4.32Å; I221-F223 HydrophobicContact CG1-CB 4.01Å; I221-F275 HydrophobicContact CG2-CE1 3.71Å; I221-F275 HydrophobicContact CG2-CE2 4.36Å; I221-F275 HydrophobicContact CG2-CZ 3.45Å; I221-F275 VanDerWaalsContact CG2-CZ 3.45Å; I221-P276 HydrophobicContact CB-CB 4.19Å; I221-P276 HydrophobicContact CB-CG 4.01Å; I221-P276 HydrophobicContact CG2-CB 3.91Å; I221-P276 HydrophobicContact CG2-CG 4.21Å
222G97.2Very high97.7Very high60 Ų6043.5 Ų43.562%0.61924%0.238SC*.THydrogen-bonded Turntrans64.539.3-17900000113.7Q219Q219-G222 PolarHBondContact O-N 3.24Å
223F97.7Very high97.6Very high23 Ų2339.4 Ų39.410%0.10122%0.219CC..  trans-142.353.3-179.4-170.5-133.8000113.7F15 V159 R180 I186 F218 I221 V225 G226F15-F223 HydrophobicContact CE2-CZ 4.26Å; V159-F223 HydrophobicContact CG1-CD1 4.21Å; V159-F223 HydrophobicContact CG1-CE1 4.46Å; R180-F223 HydrophobicContact CB-CD1 4.44Å; R180-F223 HydrophobicContact CB-CE1 3.88Å; R180-F223 HydrophobicContact CB-CE2 4.24Å; R180-F223 HydrophobicContact CB-CZ 3.79Å; R180-F223 HydrophobicContact CG-CD1 3.92Å; R180-F223 HydrophobicContact CG-CE1 3.78Å; R180-F223 HydrophobicContact CG-CG 4.45Å; R180-F223 HydrophobicContact CG-CZ 4.18Å; R180-F223 VanDerWaalsContact O-CZ 3.28Å; R180-F223 WeakPolarHBondContact O-CZ 3.43Å; I186-F223 HydrophobicContact CD1-CE1 3.93Å; I186-F223 HydrophobicContact CD1-CZ 3.93Å; I186-F223 HydrophobicContact CG1-CE1 4.35Å; F218-F223 HydrophobicContact CD1-CB 4.39Å; F218-F223 AromaticContact CD1-CD1 3.84Å; F218-F223 HydrophobicContact CD1-CD1 3.84Å; F218-F223 HydrophobicContact CD1-CG 4.47Å; F218-F223 VanDerWaalsContact CD1-O 3.24Å; F218-F223 WeakPolarHBondContact CD1-O 3.44Å; F218-F223 AromaticContact CE1-CD1 3.77Å; F218-F223 HydrophobicContact CE1-CD1 3.77Å; F218-F223 HydrophobicContact CE1-CE1 4.19Å; F218-F223 CarbonylContact O-C 3.5Å; F218-F223 WeakPolarHBondContact O-CA 3.24Å; F218-F223 PolarHBondContact O-N 2.8Å; I221-F223 HydrophobicContact CD1-CB 4.32Å; I221-F223 HydrophobicContact CG1-CB 4.01Å; F223-V225 VanDerWaalsContact C-N 3.26Å; F223-V225 HydrophobicContact CD2-CG1 3.68Å; F223-V225 HydrophobicContact CE2-CG1 3.31Å; F223-V225 HydrophobicContact CZ-CG1 4.1Å; F223-V225 PolarHBondContact O-N 2.9Å; F223-G226 PolarHBondContact O-N 3.05Å
224P97.6Very high97.5Very high66 Ų6638.2 Ų38.243%0.42921%0.213SC..Hα-helixtrans-60.8-30.7-174.124.7-35.1000114G226 Y227P224-G226 PolarHBondContact O-N 3.22Å; P224-Y227 PolarHBondContact O-N 3.02Å; P224-Y227 VanDerWaalsContact O-N 3.17Å
225V97.3Very high97.4Very high53 Ų5345.9 Ų45.932%0.32125%0.249SC..Hα-helixtrans-60.9-31.9175.266.50000112.2L20 F223 Y227 Q228 V229L20-V225 HydrophobicContact CD2-CG2 4.13Å; F223-V225 VanDerWaalsContact C-N 3.26Å; F223-V225 HydrophobicContact CD2-CG1 3.68Å; F223-V225 HydrophobicContact CE2-CG1 3.31Å; F223-V225 HydrophobicContact CZ-CG1 4.1Å; F223-V225 PolarHBondContact O-N 2.9Å; V225-Y227 VanDerWaalsContact C-N 3.26Å; V225-Y227 PolarHBondContact O-N 3.34Å; V225-Q228 WeakPolarHBondContact O-CB 3.13Å; V225-Q228 PolarHBondContact O-N 2.99Å; V225-V229 HydrophobicContact CG2-CG2 4.41Å; V225-V229 WeakPolarHBondContact O-CG2 3.49Å; V225-V229 PolarHBondContact O-N 2.75Å
226G97.6Very high97.2Very high0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-59.4-36.5176.400000112.8I186 F223 P224 V229 Y230I186-G226 VanDerWaalsContact CG2-O 3.31Å; I186-G226 WeakPolarHBondContact CG2-O 3.39Å; F223-G226 PolarHBondContact O-N 3.05Å; P224-G226 PolarHBondContact O-N 3.22Å; G226-V229 PolarHBondContact O-N 3.1Å; G226-Y230 WeakPolarHBondContact O-CB 3.3Å; G226-Y230 PolarHBondContact O-N 3.39Å
227Y97.9Very high97Very high55 Ų5544.9 Ų44.922%0.21624%0.235CC..Hα-helixtrans-67.8-36.3174.8-178.8-121.6000112.4P215 F218 P224 V225 Y230 K231P215-Y227 HydrophobicContact CB-CD1 4.31Å; P215-Y227 HydrophobicContact CB-CE1 3.95Å; P215-Y227 HydrophobicContact CG-CD1 4.43Å; P215-Y227 HydrophobicContact CG-CE1 3.68Å; P215-Y227 HydrophobicContact CG-CE2 4.13Å; F218-Y227 HydrophobicContact CD2-CD2 4.09Å; F218-Y227 HydrophobicContact CD2-CG 4.28Å; F218-Y227 HydrophobicContact CE2-CD2 4.45Å; P224-Y227 PolarHBondContact O-N 3.02Å; P224-Y227 VanDerWaalsContact O-N 3.17Å; V225-Y227 VanDerWaalsContact C-N 3.26Å; V225-Y227 PolarHBondContact O-N 3.34Å; Y227-Y230 HydrophobicContact CD2-CD1 4.23Å; Y227-Y230 HydrophobicContact CE2-CD1 4.25Å; Y227-Y230 PolarHBondContact O-N 2.91Å; Y227-K231 HydrophobicContact CD1-CD 4.29Å; Y227-K231 HydrophobicContact CD2-CG 4.36Å; Y227-K231 HydrophobicContact CE1-CD 3.6Å; Y227-K231 HydrophobicContact CE1-CG 4.08Å; Y227-K231 HydrophobicContact CE2-CD 4.25Å; Y227-K231 HydrophobicContact CE2-CG 3.86Å; Y227-K231 WeakPolarHBondContact O-CG 3.49Å; Y227-K231 PolarHBondContact O-N 3.18Å
228Q97.8Very high96.7Very high81 Ų8145.1 Ų45.138%0.37924%0.236SC..Hα-helixtrans-67.6-44.1177.1-54.3-59.2-26.900111L20 V225 Y230 K231 K232L20-Q228 HydrophobicContact CD1-CB 3.65Å; L20-Q228 HydrophobicContact CD2-CB 4.23Å; V225-Q228 WeakPolarHBondContact O-CB 3.13Å; V225-Q228 PolarHBondContact O-N 2.99Å; Q228-Y230 VanDerWaalsContact C-N 3.34Å; Q228-Y230 PolarHBondContact O-N 3.22Å; Q228-K231 PolarHBondContact O-N 3.17Å; Q228-K232 PolarHBondContact O-N 3.01Å
229V97.6Very high96.4Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-59.9-44.9173.6173.60000110.7F15 L20 I186 V225 G226 K232 A233F15-V229 HydrophobicContact CD1-CG2 3.77Å; F15-V229 HydrophobicContact CD2-CG2 4.14Å; F15-V229 HydrophobicContact CE1-CG1 3.97Å; F15-V229 HydrophobicContact CE1-CG2 3.82Å; F15-V229 HydrophobicContact CE2-CG2 4.18Å; F15-V229 HydrophobicContact CG-CG2 3.95Å; F15-V229 HydrophobicContact CZ-CG1 4.15Å; F15-V229 HydrophobicContact CZ-CG2 4.04Å; L20-V229 HydrophobicContact CB-CG2 4.37Å; I186-V229 HydrophobicContact CB-CG1 4.28Å; I186-V229 HydrophobicContact CD1-CB 4.34Å; I186-V229 HydrophobicContact CD1-CG1 3.99Å; I186-V229 HydrophobicContact CG2-CB 4.24Å; I186-V229 HydrophobicContact CG2-CG1 4.01Å; V225-V229 HydrophobicContact CG2-CG2 4.41Å; V225-V229 WeakPolarHBondContact O-CG2 3.49Å; V225-V229 PolarHBondContact O-N 2.75Å; G226-V229 PolarHBondContact O-N 3.1Å; V229-K232 PolarHBondContact O-N 2.9Å; V229-A233 WeakPolarHBondContact O-CB 3.39Å; V229-A233 PolarHBondContact O-N 2.69Å
230Y97.7Very high96.2Very high8 Ų841.9 Ų41.93%0.03122%0.223CC..Hα-helixtrans-58.2-50.4175.9172.5-104.3000112.2I186 I189 P190 D191 P192 Y214 G226 Y227 Q228 K232 A233 V234I186-Y230 WeakPolarHBondContact O-CD2 3.43Å; I189-Y230 HydrophobicContact CD1-CD1 4.48Å; I189-Y230 HydrophobicContact CD1-CD2 3.55Å; I189-Y230 HydrophobicContact CD1-CE2 3.82Å; I189-Y230 HydrophobicContact CD1-CG 3.9Å; I189-Y230 HydrophobicContact CG1-CD2 3.52Å; I189-Y230 HydrophobicContact CG1-CE2 3.39Å; I189-Y230 HydrophobicContact CG1-CG 4.35Å; P190-Y230 PolarHBondContact O-OH 2.86Å; D191-Y230 WeakPolarHBondContact CA-OH 3.24Å; P192-Y230 WeakPolarHBondContact CD-OH 3.3Å; Y214-Y230 HydrophobicContact CD2-CD1 4.01Å; Y214-Y230 AromaticContact CD2-CE1 3.59Å; Y214-Y230 HydrophobicContact CD2-CE1 3.59Å; Y214-Y230 AromaticContact CD2-CZ 3.99Å; Y214-Y230 HydrophobicContact CE2-CD1 4.5Å; Y214-Y230 AromaticContact CE2-CE1 3.87Å; Y214-Y230 HydrophobicContact CE2-CE1 3.87Å; Y214-Y230 HydrophobicContact CE2-CE2 4.32Å; Y214-Y230 AromaticContact CE2-CZ 3.75Å; G226-Y230 WeakPolarHBondContact O-CB 3.3Å; G226-Y230 PolarHBondContact O-N 3.39Å; Y227-Y230 HydrophobicContact CD2-CD1 4.23Å; Y227-Y230 HydrophobicContact CE2-CD1 4.25Å; Y227-Y230 PolarHBondContact O-N 2.91Å; Q228-Y230 VanDerWaalsContact C-N 3.34Å; Q228-Y230 PolarHBondContact O-N 3.22Å; Y230-K232 VanDerWaalsContact C-N 3.32Å; Y230-K232 PolarHBondContact O-N 3.17Å; Y230-A233 WeakPolarHBondContact O-CB 3.34Å; Y230-A233 PolarHBondContact O-N 3.15Å; Y230-V234 HydrophobicContact CD1-CG2 4.36Å; Y230-V234 HydrophobicContact CD2-CG2 4.18Å; Y230-V234 HydrophobicContact CE1-CG2 3.82Å; Y230-V234 HydrophobicContact CE2-CG2 3.63Å; Y230-V234 VanDerWaalsContact CZ-CG2 3.43Å; Y230-V234 WeakPolarHBondContact O-CG2 3.4Å; Y230-V234 PolarHBondContact O-N 2.68Å
231K97.1Very high96.1Very high87 Ų8743.5 Ų43.538%0.37823%0.232SC..Hα-helixtrans-58.1-43.7177.8-77.2-169.8-63.7165.30112.2Y227 Q228 V234 H235Y227-K231 HydrophobicContact CD1-CD 4.29Å; Y227-K231 HydrophobicContact CD2-CG 4.36Å; Y227-K231 HydrophobicContact CE1-CD 3.6Å; Y227-K231 HydrophobicContact CE1-CG 4.08Å; Y227-K231 HydrophobicContact CE2-CD 4.25Å; Y227-K231 HydrophobicContact CE2-CG 3.86Å; Y227-K231 WeakPolarHBondContact O-CG 3.49Å; Y227-K231 PolarHBondContact O-N 3.18Å; Q228-K231 PolarHBondContact O-N 3.17Å; K231-V234 PolarHBondContact O-N 3.19Å; K231-H235 PolarHBondContact O-N 2.78Å; K231-H235 VanDerWaalsContact O-N 3.14Å
232K96.9Very high96Very high32 Ų3245 Ų4514%0.13924%0.237CC..Hα-helixtrans-59.5-48.5175.7-175.4-178.4-179.1-179.90110.8T19 L20 D21 Y86 Q228 V229 Y230 V234 H235 E236T19-K232 PolarHBondContact O-NZ 2.96Å; L20-K232 HydrophobicContact CB-CD 4.18Å; D21-K232 VanDerWaalsContact CG-NZ 3.35Å; D21-K232 IonicContact OD1-NZ 3.31Å; D21-K232 PolarHBondContact OD1-NZ 3.25Å; D21-K232 IonicContact OD2-NZ 2.95Å; Y86-K232 HydrophobicContact CE2-CD 4.13Å; Q228-K232 PolarHBondContact O-N 3.01Å; V229-K232 PolarHBondContact O-N 2.9Å; Y230-K232 VanDerWaalsContact C-N 3.32Å; Y230-K232 PolarHBondContact O-N 3.17Å; K232-V234 VanDerWaalsContact C-N 3.34Å; K232-V234 PolarHBondContact O-N 2.9Å; K232-H235 PolarHBondContact O-N 3.07Å; K232-H235 VanDerWaalsContact O-N 3.13Å; K232-E236 WeakPolarHBondContact CE-OE1 3.34Å; K232-E236 HydrophobicContact CG-CG 4.48Å; K232-E236 WeakPolarHBondContact CG-OE1 3.39Å; K232-E236 PolarHBondContact O-N 3.22Å
233A97Very high95.9Very high0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-60.4-41.9179.200000112.7L84 V229 Y230 H235 F237 M238L84-A233 HydrophobicContact CD1-CB 3.42Å; L84-A233 VanDerWaalsContact CD1-CB 3.42Å; V229-A233 WeakPolarHBondContact O-CB 3.39Å; V229-A233 PolarHBondContact O-N 2.69Å; Y230-A233 WeakPolarHBondContact O-CB 3.34Å; Y230-A233 PolarHBondContact O-N 3.15Å; A233-H235 VanDerWaalsContact C-N 3.28Å; A233-H235 PolarHBondContact O-N 3.24Å; A233-F237 WeakPolarHBondContact O-CA 3.38Å; A233-F237 WeakPolarHBondContact O-CB 3.06Å; A233-F237 PolarHBondContact O-N 2.58Å; A233-M238 PolarHBondContact O-N 3.04Å; A233-M238 VanDerWaalsContact O-N 3.08Å
234V95.2Very high95.8Very high30 Ų3047.9 Ų47.918%0.18223%0.233CC..Hα-helixtrans-59.5-40.8175.7167.40000111.5Y230 K231 K232Y230-V234 HydrophobicContact CD1-CG2 4.36Å; Y230-V234 HydrophobicContact CD2-CG2 4.18Å; Y230-V234 HydrophobicContact CE1-CG2 3.82Å; Y230-V234 HydrophobicContact CE2-CG2 3.63Å; Y230-V234 VanDerWaalsContact CZ-CG2 3.43Å; Y230-V234 WeakPolarHBondContact O-CG2 3.4Å; Y230-V234 PolarHBondContact O-N 2.68Å; K231-V234 PolarHBondContact O-N 3.19Å; K232-V234 VanDerWaalsContact C-N 3.34Å; K232-V234 PolarHBondContact O-N 2.9Å
235H94.6Very high95.7Very high165 Ų16547.7 Ų47.776%0.76423%0.228SC*.Hα-helixtrans-73.6-45.6-179.1-175.864000113.3K231 K232 A233K231-H235 PolarHBondContact O-N 2.78Å; K231-H235 VanDerWaalsContact O-N 3.14Å; K232-H235 PolarHBondContact O-N 3.07Å; K232-H235 VanDerWaalsContact O-N 3.13Å; A233-H235 VanDerWaalsContact C-N 3.28Å; A233-H235 PolarHBondContact O-N 3.24Å
236E94.2Very high95.6Very high77 Ų7745.5 Ų45.536%0.3622%0.215SC..Hα-helixtrans-96.6-21.7-168.7-65.7-172.6-142.600114.6Y86 N125 K232Y86-E236 HydrophobicContact CD1-CB 3.7Å; Y86-E236 HydrophobicContact CE1-CB 3.87Å; N125-E236 PolarHBondContact ND2-O 3.34Å; K232-E236 WeakPolarHBondContact CE-OE1 3.34Å; K232-E236 HydrophobicContact CG-CG 4.48Å; K232-E236 WeakPolarHBondContact CG-OE1 3.39Å; K232-E236 PolarHBondContact O-N 3.22Å
237F94.3Very high95.4Very high2 Ų249.2 Ų49.21%0.00924%0.239CC..THydrogen-bonded Turntrans-120.6-53.5-172.3169.3-126.5000113.8L84 P85 Y86 M118 L121 Y122 N125 A233 T239L84-F237 HydrophobicContact CD2-CD1 3.55Å; L84-F237 HydrophobicContact CD2-CE1 3.72Å; L84-F237 HydrophobicContact CD2-CG 4.29Å; P85-F237 VanDerWaalsContact CD-CD2 3.41Å; P85-F237 HydrophobicContact CG-CD2 3.37Å; P85-F237 HydrophobicContact CG-CE2 3.5Å; P85-F237 VanDerWaalsContact CG-CE2 3.5Å; P85-F237 HydrophobicContact CG-CG 4.21Å; P85-F237 HydrophobicContact CG-CZ 4.41Å; Y86-F237 HydrophobicContact CD1-CB 4.49Å; Y86-F237 HydrophobicContact CE1-CB 4.26Å; M118-F237 HydrophobicContact CG-CZ 4.37Å; L121-F237 HydrophobicContact CB-CE1 4.33Å; L121-F237 HydrophobicContact CB-CE2 4.1Å; L121-F237 HydrophobicContact CB-CZ 3.57Å; Y122-F237 AromaticContact CD2-CE2 3.79Å; Y122-F237 HydrophobicContact CD2-CE2 3.79Å; Y122-F237 AromaticContact CD2-CZ 3.61Å; Y122-F237 HydrophobicContact CD2-CZ 3.61Å; Y122-F237 HydrophobicContact CE2-CE2 4.19Å; Y122-F237 AromaticContact CE2-CZ 3.91Å; Y122-F237 HydrophobicContact CE2-CZ 3.91Å; Y122-F237 HydrophobicContact CG-CE2 4.37Å; N125-F237 HydrophobicContact CB-CD2 4.06Å; N125-F237 HydrophobicContact CB-CE2 4.23Å; N125-F237 PolarHBondContact ND2-O 2.72Å; A233-F237 WeakPolarHBondContact O-CA 3.38Å; A233-F237 WeakPolarHBondContact O-CB 3.06Å; A233-F237 PolarHBondContact O-N 2.58Å; F237-T239 VanDerWaalsContact C-N 3.26Å; F237-T239 PolarHBondContact O-N 3.34Å
238M91.4Very high95.3Very high5 Ų549 Ų493%0.02524%0.24CC..  trans-77.567.7-167.6-58.3-70.6-71.800112.3L121 R193 A233L121-M238 HydrophobicContact CD1-CE 3.84Å; L121-M238 HydrophobicContact CD1-SD 3.87Å; R193-M238 PolarHBondContact NH1-O 2.98Å; R193-M238 PolarHBondContact NH2-O 3.41Å; A233-M238 PolarHBondContact O-N 3.04Å; A233-M238 VanDerWaalsContact O-N 3.08Å
239T92.8Very high95.3Very high25 Ų2545.2 Ų45.215%0.15322%0.222CC..  trans-71.6139.8169.8175.50000110.5L124 F237 D241L124-T239 HydrophobicContact CD2-CG2 4.06Å; L124-T239 WeakPolarHBondContact CD2-O 3.29Å; L124-T239 HydrophobicContact CG-CG2 3.94Å; F237-T239 VanDerWaalsContact C-N 3.26Å; F237-T239 PolarHBondContact O-N 3.34Å; T239-D241 WeakPolarHBondContact OG1-CB 3.15Å; T239-D241 PolarHBondContact OG1-N 2.72Å; T239-D241 PolarHBondContact OG1-OD2 3.28Å
240L94.5Very high95.3Very high29 Ų2946.7 Ų46.715%0.15223%0.228CC..  trans-104.41.5171.2-62.6-177.9000111.5F149 R193 I194 W302F149-L240 HydrophobicContact CB-CD2 4.28Å; F149-L240 WeakPolarHBondContact O-CD2 3.24Å; R193-L240 HydrophobicContact CB-CD1 3.98Å; I194-L240 HydrophobicContact CD1-CD1 3.87Å; I194-L240 HydrophobicContact CD1-CD2 3.66Å; I194-L240 HydrophobicContact CD1-CG 4.43Å; I194-L240 HydrophobicContact CG1-CD1 3.96Å; L240-W302 PolarHBondContact O-NE1 3.15Å
241D93.7Very high95.3Very high107 Ų10746.3 Ų46.357%0.57223%0.226SC*.SBendtrans-72.1132.1-174.8-57.6-54.3000110.4N128 T239N128-D241 PolarHBondContact ND2-O 2.97Å; N128-D241 VanDerWaalsContact ND2-O 3.11Å; T239-D241 WeakPolarHBondContact OG1-CB 3.15Å; T239-D241 PolarHBondContact OG1-N 2.72Å; T239-D241 PolarHBondContact OG1-OD2 3.28Å
242Y95.1Very high95.4Very high40 Ų4042.2 Ų42.216%0.15721%0.209CC..  trans-51.9132.2167.9172.8-110.1000110.1K244 V249 W302 P303Y242-K244 VanDerWaalsContact C-N 3.31Å; Y242-K244 HydrophobicContact CD1-CG 4.26Å; Y242-K244 PolarHBondContact O-N 2.66Å; Y242-V249 HydrophobicContact CD2-CG2 4.5Å; Y242-V249 HydrophobicContact CE2-CB 3.85Å; Y242-V249 HydrophobicContact CE2-CG1 4.1Å; Y242-V249 HydrophobicContact CE2-CG2 3.56Å; Y242-W302 HydrophobicContact CD2-CB 3.45Å; Y242-W302 VanDerWaalsContact CD2-CB 3.45Å; Y242-W302 AromaticContact CD2-CD2 3.9Å; Y242-W302 HydrophobicContact CD2-CD2 3.9Å; Y242-W302 HydrophobicContact CD2-CE3 4.03Å; Y242-W302 AromaticContact CD2-CG 3.69Å; Y242-W302 HydrophobicContact CD2-CG 3.69Å; Y242-W302 HydrophobicContact CE2-CB 4.19Å; Y242-W302 HydrophobicContact CG-CB 4.1Å; Y242-W302 HydrophobicContact CG-CG 4.18Å; Y242-P303 HydrophobicContact CD1-CG 3.81Å; Y242-P303 HydrophobicContact CD2-CG 4.49Å; Y242-P303 HydrophobicContact CE1-CG 4.06Å; Y242-P303 WeakPolarHBondContact CE2-O 3.42Å; Y242-P303 HydrophobicContact CG-CG 4.03Å
243P95.4Very high95.4Very high0 Ų041.6 Ų41.60%021%0.206CC..  trans-7289.7178.429.1-31.6000109.8L124 L127 N128 Y142 I246 V249L124-P243 HydrophobicContact CD1-CB 3.83Å; L124-P243 HydrophobicContact CD1-CG 3.76Å; L127-P243 HydrophobicContact CB-CB 4.23Å; N128-P243 WeakPolarHBondContact OD1-CA 3.45Å; Y142-P243 HydrophobicContact CD1-CG 3.78Å; Y142-P243 HydrophobicContact CE1-CG 4.25Å; P243-I246 HydrophobicContact CB-CG1 3.83Å; P243-I246 HydrophobicContact CG-CG1 4.3Å; P243-I246 VanDerWaalsContact O-CG1 3.28Å; P243-I246 WeakPolarHBondContact O-CG1 3.42Å; P243-I246 PolarHBondContact O-N 2.89Å; P243-V249 HydrophobicContact CG-CG1 4.36Å; P243-V249 HydrophobicContact CG-CG2 4Å
244K95.3Very high95.5Very high143 Ų14341.6 Ų41.662%0.62221%0.206SC*.THydrogen-bonded Turntrans-55.8151.8-179.3-64.5179.9-177.4175.30110.9K135 Y242 I246K135-K244 WeakPolarHBondContact CE-O 3.49Å; K135-K244 PolarHBondContact NZ-O 3.19Å; Y242-K244 VanDerWaalsContact C-N 3.31Å; Y242-K244 HydrophobicContact CD1-CG 4.26Å; Y242-K244 PolarHBondContact O-N 2.66Å; K244-I246 PolarHBondContact O-N 3.35Å
245D95.6Very high95.6Very high62 Ų6240.5 Ų40.533%0.33220%0.199SC..THydrogen-bonded Turntrans58.323.9178.1-45.6-73.7000114.4K132 N136K132-D245 HydrophobicContact CB-CB 4.26Å; K132-D245 HydrophobicContact CD-CB 4.36Å; K132-D245 VanDerWaalsContact CD-OD1 3.24Å; K132-D245 WeakPolarHBondContact CD-OD1 3.49Å; K132-D245 WeakPolarHBondContact CE-OD1 3.44Å; K132-D245 HydrophobicContact CG-CB 3.88Å; K132-D245 IonicContact NZ-OD1 3.34Å; K132-D245 PolarHBondContact NZ-OD1 2.77Å; N136-D245 PolarHBondContact OD1-O 2.92Å
246I95.9Very high95.8Very high7 Ų734.6 Ų34.64%0.03618%0.184CC..  trans-92.4127.5163.7-60.4-63.1000107.7L127 K135 I139 P243 K244 E248 V249L127-I246 HydrophobicContact CB-CD1 4.41Å; L127-I246 HydrophobicContact CD1-CD1 3.96Å; L127-I246 HydrophobicContact CD1-CG1 4.24Å; L127-I246 HydrophobicContact CD2-CD1 3.8Å; L127-I246 HydrophobicContact CG-CD1 4.27Å; K135-I246 HydrophobicContact CB-CD1 4.06Å; K135-I246 HydrophobicContact CD-CD1 3.49Å; K135-I246 VanDerWaalsContact CD-CD1 3.49Å; K135-I246 HydrophobicContact CD-CG1 4.24Å; K135-I246 HydrophobicContact CG-CD1 3.8Å; I139-I246 HydrophobicContact CB-CD1 4.33Å; I139-I246 HydrophobicContact CG2-CD1 3.98Å; I139-I246 HydrophobicContact CG2-CG2 4.31Å; P243-I246 HydrophobicContact CB-CG1 3.83Å; P243-I246 HydrophobicContact CG-CG1 4.3Å; P243-I246 VanDerWaalsContact O-CG1 3.28Å; P243-I246 WeakPolarHBondContact O-CG1 3.42Å; P243-I246 PolarHBondContact O-N 2.89Å; K244-I246 PolarHBondContact O-N 3.35Å; I246-E248 VanDerWaalsContact C-N 3.29Å; I246-E248 VanDerWaalsContact CG2-O 3.31Å; I246-E248 WeakPolarHBondContact CG2-O 3.31Å; I246-E248 PolarHBondContact O-N 3.06Å; I246-V249 HydrophobicContact CB-CG2 3.9Å; I246-V249 HydrophobicContact CG2-CG2 3.85Å
247P93.5Very high96Very high79 Ų7932.8 Ų32.851%0.51318%0.176SC..SBendtrans-57.5-41.9-176.9-25.933.9000113.3K140K140-P247 WeakPolarHBondContact O-CB 3.15Å
248E95.8Very high96.2Very high51 Ų5139 Ų3924%0.23821%0.209CC..EExtended strand (participates in β ladder)trans-138.9128.4-176.5-56.8164.8161.500110.5S141 Y142 I246 Y250 H331S141-E248 CarbonylContact C-O 3.58Å; S141-E248 WeakPolarHBondContact CA-O 3.5Å; S141-E248 WeakPolarHBondContact CB-O 3.46Å; Y142-E248 PolarHBondContact N-O 3Å; I246-E248 VanDerWaalsContact C-N 3.29Å; I246-E248 VanDerWaalsContact CG2-O 3.31Å; I246-E248 WeakPolarHBondContact CG2-O 3.31Å; I246-E248 PolarHBondContact O-N 3.06Å; E248-Y250 HydrophobicContact CB-CD2 4.49Å; E248-Y250 HydrophobicContact CB-CE2 3.71Å; E248-H331 IonicContact OE1-CE1 2.74Å; E248-H331 IonicContact OE2-CE1 3.69Å; E248-H331 PolarHBondContact OE2-CE1 2.79Å; E248-H331 IonicContact OE2-NE2 2.95Å; E248-H331 PolarHBondContact OE2-NE2 3.35Å
249V97.3Very high96.5Very high1 Ų138.9 Ų38.91%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-122.6124.7178.4-178.70000109.3Y142 Y242 P243 I246 W302 V305 S306Y142-V249 HydrophobicContact CD1-CG1 3.93Å; Y242-V249 HydrophobicContact CD2-CG2 4.5Å; Y242-V249 HydrophobicContact CE2-CB 3.85Å; Y242-V249 HydrophobicContact CE2-CG1 4.1Å; Y242-V249 HydrophobicContact CE2-CG2 3.56Å; P243-V249 HydrophobicContact CG-CG1 4.36Å; P243-V249 HydrophobicContact CG-CG2 4Å; I246-V249 HydrophobicContact CB-CG2 3.9Å; I246-V249 HydrophobicContact CG2-CG2 3.85Å; V249-W302 HydrophobicContact CG1-CE3 3.98Å; V249-W302 HydrophobicContact CG1-CZ3 4.05Å; V249-V305 HydrophobicContact CG1-CG2 4.15Å; V249-S306 PolarHBondContact O-N 3.06Å
250Y97.7Very high96.7Very high30 Ų3038.5 Ų38.512%0.11821%0.205CC..EExtended strand (participates in β ladder)trans-113.7126.1179.9-64.8-87.7000111.2Y142 I143 S144 E248 S306 F327 H331Y142-Y250 PolarHBondContact O-N 3.47Å; I143-Y250 HydrophobicContact CG1-CD2 4.04Å; I143-Y250 HydrophobicContact CG1-CG 4.43Å; S144-Y250 PolarHBondContact N-O 3.23Å; E248-Y250 HydrophobicContact CB-CD2 4.49Å; E248-Y250 HydrophobicContact CB-CE2 3.71Å; Y250-S306 CarbonylContact C-O 3.21Å; Y250-S306 WeakPolarHBondContact CA-O 3.16Å; Y250-F327 HydrophobicContact CD1-CE1 4.46Å; Y250-F327 AromaticContact CD1-CE2 3.66Å; Y250-F327 HydrophobicContact CD1-CE2 3.66Å; Y250-F327 AromaticContact CD1-CZ 3.31Å; Y250-F327 HydrophobicContact CD1-CZ 3.31Å; Y250-F327 HydrophobicContact CD2-CZ 4.26Å; Y250-F327 AromaticContact CE1-CE2 3.65Å; Y250-F327 HydrophobicContact CE1-CE2 3.65Å; Y250-F327 AromaticContact CE1-CZ 3.69Å; Y250-F327 HydrophobicContact CE1-CZ 3.69Å; Y250-F327 HydrophobicContact CG-CE2 4.42Å; Y250-F327 AromaticContact CG-CZ 3.64Å; Y250-F327 HydrophobicContact CG-CZ 3.64Å; Y250-H331 AromaticContact CE2-CD2 3.87Å; Y250-H331 AromaticContact CE2-CE1 3.42Å; Y250-H331 VanDerWaalsContact CE2-CE1 3.42Å; Y250-H331 WeakPolarHBondContact CE2-CE1 3.13Å; Y250-H331 AromaticContact CE2-ND1 3.97Å; Y250-H331 AromaticContact CE2-NE2 3.33Å; Y250-H331 VanDerWaalsContact CE2-NE2 3.33Å; Y250-H331 WeakPolarHBondContact CE2-NE2 3.07Å; Y250-H331 AromaticContact CZ-CE1 3.41Å; Y250-H331 VanDerWaalsContact CZ-CE1 3.41Å; Y250-H331 AromaticContact CZ-ND1 3.67Å; Y250-H331 AromaticContact CZ-NE2 3.83Å; Y250-H331 PolarHBondContact OH-CE1 3.15Å; Y250-H331 PolarHBondContact OH-ND1 2.76Å
251C98.1Very high96.9Very high0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-10495.4176.2177.30000107.8C299 V305 S306 M308C251-C299 HydrophobicContact CB-CB 3.75Å; C251-C299 WeakPolarHBondContact CB-SG 3.22Å; C251-C299 WeakPolarHBondContact SG-CB 3.27Å; C251-C299 CovalentContact SG-SG 2.02Å; C251-C299 PolarHBondContact SG-SG 3.04Å; C251-V305 HydrophobicContact CB-CG2 3.48Å; C251-V305 VanDerWaalsContact CB-CG2 3.48Å; C251-S306 PolarHBondContact N-O 3.11Å; C251-M308 PolarHBondContact O-N 2.66Å
252V98.5Very high97.1Very high1 Ų138.5 Ų38.51%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-101.7117.9179.3-170.10000109I143 S144 V145 S146 M308 I318 F324 F327I143-V252 HydrophobicContact CG2-CG2 3.74Å; S144-V252 WeakPolarHBondContact O-CA 3.47Å; S144-V252 VanDerWaalsContact O-CB 3.31Å; S144-V252 WeakPolarHBondContact O-CB 3.49Å; S144-V252 PolarHBondContact O-N 3.19Å; V145-V252 CarbonylContact C-O 3.48Å; V145-V252 WeakPolarHBondContact CA-O 3.39Å; V145-V252 HydrophobicContact CG1-CB 4.44Å; V145-V252 HydrophobicContact CG1-CG1 4.3Å; V145-V252 HydrophobicContact CG2-CB 4.32Å; S146-V252 PolarHBondContact N-O 3.31Å; V252-M308 WeakPolarHBondContact CA-O 3.17Å; V252-M308 HydrophobicContact CB-CB 4.4Å; V252-M308 HydrophobicContact CG1-CB 4.19Å; V252-M308 HydrophobicContact CG1-CG 4.22Å; V252-M308 HydrophobicContact CG1-SD 4.12Å; V252-M308 HydrophobicContact CG2-CB 4.07Å; V252-M308 HydrophobicContact CG2-SD 4.47Å; V252-I318 HydrophobicContact CG1-CD1 4.23Å; V252-F324 HydrophobicContact CG1-CD2 3.85Å; V252-F324 HydrophobicContact CG1-CE2 4.08Å; V252-F324 HydrophobicContact CG2-CE2 4.26Å; V252-F327 HydrophobicContact CG2-CE1 4.29Å
253Y98.5Very high97.2Very high19 Ų1936.6 Ų36.68%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-147167.2176.465.5-88.1000111.1L293 L296 Q297 T300 I307 M308 H309 L310Y253-L293 HydrophobicContact CD2-CD1 4.05Å; Y253-L293 HydrophobicContact CE2-CD1 3.91Å; Y253-L296 HydrophobicContact CD2-CB 4.36Å; Y253-L296 HydrophobicContact CG-CB 4.3Å; Y253-Q297 HydrophobicContact CE1-CB 4.45Å; Y253-Q297 HydrophobicContact CE2-CB 4.29Å; Y253-T300 HydrophobicContact CE1-CG2 3.66Å; Y253-I307 HydrophobicContact CE1-CG2 3.7Å; Y253-M308 PolarHBondContact N-O 3.12Å; Y253-M308 VanDerWaalsContact N-O 3.1Å; Y253-H309 AromaticContact CD2-CD2 3.68Å; Y253-H309 HydrophobicContact CE1-CB 4.49Å; Y253-H309 HydrophobicContact CE2-CB 4.13Å; Y253-H309 AromaticContact CE2-CD2 3.32Å; Y253-H309 WeakPolarHBondContact CE2-CD2 3.19Å; Y253-H309 AromaticContact CE2-CG 3.65Å; Y253-H309 AromaticContact CE2-NE2 3.76Å; Y253-H309 AromaticContact CZ-CG 3.93Å; Y253-H309 WeakPolarHBondContact O-CA 3.32Å; Y253-L310 PolarHBondContact O-N 2.85Å
254S98.2Very high97.3Very high0 Ų038.3 Ų38.30%020%0.198CC..EExtended strand (participates in β ladder)trans-125.8162.6177.758.20000112.9D288 L296 L310 S313S254-D288 WeakPolarHBondContact OG-CB 3.33Å; S254-L296 WeakPolarHBondContact O-CD1 3.45Å; S254-L310 WeakPolarHBondContact CA-O 3.37Å; S254-L310 WeakPolarHBondContact CB-O 3.47Å; S254-S313 WeakPolarHBondContact CB-O 3.44Å; S254-S313 PolarHBondContact OG-O 3.13Å
255S98.3Very high97.4Very high7 Ų731.7 Ų31.75%0.04917%0.169CC..EExtended strand (participates in β ladder)trans-145.6-176.6172.580.30000110.8D286 G287 H309 L310 V312S255-D286 WeakPolarHBondContact CB-OD2 3.41Å; S255-G287 CarbonylContact C-O 3.55Å; S255-G287 VanDerWaalsContact CA-O 3.31Å; S255-G287 WeakPolarHBondContact CA-O 3.24Å; S255-H309 VanDerWaalsContact CB-NE2 3.35Å; S255-H309 WeakPolarHBondContact CB-NE2 3.42Å; S255-H309 PolarHBondContact OG-CE1 3.09Å; S255-H309 PolarHBondContact OG-NE2 3.4Å; S255-L310 PolarHBondContact N-O 3.23Å; S255-V312 PolarHBondContact O-N 3.31Å
256G98.1Very high97.4Very high42 Ų4233.3 Ų33.343%0.43317%0.173SC..SBendtrans87.216.5-179.300000114.2D286G256-D286 VanDerWaalsContact CA-OD1 3.31Å; G256-D286 WeakPolarHBondContact CA-OD1 3.14Å; G256-D286 PolarHBondContact N-OD1 3.01Å
257L98.2Very high97.5Very high39 Ų3936.9 Ų36.920%0.20420%0.197CC..BIsolated β-bridgetrans-126.1136.9-178.8-64.5170.5000111.8T259 G287 D288 V312 N314L257-T259 PolarHBondContact O-N 3.31Å; L257-T259 PolarHBondContact O-OG1 2.88Å; L257-G287 WeakPolarHBondContact CB-O 3.47Å; L257-G287 PolarHBondContact N-O 2.91Å; L257-G287 VanDerWaalsContact N-O 3.15Å; L257-G287 PolarHBondContact O-N 3.22Å; L257-D288 WeakPolarHBondContact CD1-O 3.3Å; L257-V312 HydrophobicContact CD2-CG1 4.11Å; L257-N314 HydrophobicContact CD1-CB 3.65Å
258L98Very high97.5Very high133 Ų13336.9 Ų36.970%0.69620%0.199SC*.  trans-57.4112.5177.1-65.6178.3000110.5Y284L258-Y284 HydrophobicContact CB-CD1 3.98Å; L258-Y284 HydrophobicContact CB-CG 4.14Å
259T97.8Very high97.4Very high1 Ų137.5 Ų37.51%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-122.9137.8-177.7-55.10000109.3L257 K261 Y284 E285 G287 D288 G289L257-T259 PolarHBondContact O-N 3.31Å; L257-T259 PolarHBondContact O-OG1 2.88Å; T259-K261 PolarHBondContact O-N 3.05Å; T259-K261 VanDerWaalsContact O-N 3.08Å; T259-Y284 CarbonylContact O-C 3.56Å; T259-Y284 WeakPolarHBondContact O-CA 3.07Å; T259-E285 PolarHBondContact N-O 3.03Å; T259-E285 PolarHBondContact O-N 3.48Å; T259-G287 VanDerWaalsContact OG1-C 3.25Å; T259-G287 VanDerWaalsContact OG1-CA 3.23Å; T259-G287 WeakPolarHBondContact OG1-CA 3.03Å; T259-G287 PolarHBondContact OG1-N 3.47Å; T259-D288 PolarHBondContact OG1-N 2.83Å; T259-G289 WeakPolarHBondContact OG1-CA 3.41Å; T259-G289 PolarHBondContact OG1-N 3.46Å
260I97.5Very high97.2Very high18 Ų1844.8 Ų44.89%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-60.7118.3-173.3-56.9174.5000109.3V153 K154 L157 L263 L282 Y284 N292V153-I260 HydrophobicContact CB-CB 4.5Å; V153-I260 HydrophobicContact CB-CG2 4.3Å; V153-I260 VanDerWaalsContact CB-O 3.24Å; V153-I260 WeakPolarHBondContact CB-O 3.47Å; V153-I260 HydrophobicContact CG1-CB 4.46Å; V153-I260 HydrophobicContact CG1-CG2 3.74Å; V153-I260 WeakPolarHBondContact CG2-O 3.48Å; K154-I260 HydrophobicContact CB-CD1 4.27Å; K154-I260 HydrophobicContact CG-CD1 4.25Å; L157-I260 HydrophobicContact CD2-CD1 3.94Å; I260-L263 HydrophobicContact CG2-CD2 3.68Å; I260-L282 HydrophobicContact CD1-CD1 3.93Å; I260-L282 HydrophobicContact CD1-CD2 4.38Å; I260-L282 HydrophobicContact CG1-CD1 4.22Å; I260-L282 HydrophobicContact CG2-CD2 4.12Å; I260-Y284 HydrophobicContact CG1-CD1 4.42Å; I260-Y284 HydrophobicContact CG1-CE1 4.06Å; I260-N292 PolarHBondContact O-ND2 3.11Å
261K97.9Very high96.9Very high62 Ų6252.7 Ų52.727%0.2728%0.282SS..EExtended strand (participates in β ladder)trans-90.7-49.8174.8-177.1-173.8-179.8-1780111.4V153 T259 E283 E285V153-K261 WeakPolarHBondContact CG2-O 3.42Å; T259-K261 PolarHBondContact O-N 3.05Å; T259-K261 VanDerWaalsContact O-N 3.08Å; K261-E283 HydrophobicContact CD-CG 4.47Å; K261-E283 PolarHBondContact N-O 3.38Å; K261-E283 IonicContact NZ-OE1 3.65Å; K261-E285 HydrophobicContact CB-CB 3.88Å; K261-E285 HydrophobicContact CB-CG 3.72Å; K261-E285 HydrophobicContact CD-CB 4.1Å; K261-E285 HydrophobicContact CG-CB 4.15Å; K261-E285 HydrophobicContact CG-CG 4.07Å
262R97.9Very high96.6Very high73 Ų7357 Ų5728%0.27530%0.298SS..EExtended strand (participates in β ladder)trans-143.6141.2-168.5179.816865.4176.5-3.2112.1V200 I201 I264 E283V200-R262 WeakPolarHBondContact O-CD 2.99Å; I201-R262 CarbonylContact O-C 3.55Å; I201-R262 VanDerWaalsContact O-CA 3.32Å; I201-R262 WeakPolarHBondContact O-CA 3.12Å; R262-I264 HydrophobicContact CG-CG1 4.06Å; R262-E283 HydrophobicContact CB-CB 4.13Å; R262-E283 IonicContact CZ-OE2 3.71Å; R262-E283 PolarHBondContact N-O 3.22Å; R262-E283 IonicContact NE-OE2 3.94Å; R262-E283 PolarHBondContact NE-OE2 3.42Å; R262-E283 IonicContact NH2-OE1 3.12Å; R262-E283 IonicContact NH2-OE2 2.84Å; R262-E283 PolarHBondContact NH2-OE2 3.12Å; R262-E283 PolarHBondContact O-N 2.98Å
263L97.7Very high96.3Very high0 Ų060.4 Ų60.40%032%0.322CS..EExtended strand (participates in β ladder)trans-101.6113.7175.9-51-176.6000109.4V153 L157 I160 I201 I202 T203 I260 Y265 P280 L282V153-L263 HydrophobicContact CG1-CD2 4.23Å; V153-L263 HydrophobicContact CG1-CG 4.13Å; L157-L263 HydrophobicContact CB-CD1 3.98Å; L157-L263 HydrophobicContact CB-CD2 4.13Å; L157-L263 HydrophobicContact CD1-CD1 4.23Å; L157-L263 HydrophobicContact CD1-CD2 4.12Å; I160-L263 HydrophobicContact CD1-CD1 4.32Å; I201-L263 PolarHBondContact O-N 3.47Å; I202-L263 WeakPolarHBondContact CA-O 3.44Å; I202-L263 HydrophobicContact CG1-CB 4.39Å; I202-L263 HydrophobicContact CG1-CD1 4.41Å; T203-L263 PolarHBondContact N-O 3.36Å; I260-L263 HydrophobicContact CG2-CD2 3.68Å; L263-Y265 HydrophobicContact CB-CD2 4.48Å; L263-Y265 HydrophobicContact CB-CE2 3.79Å; L263-P280 HydrophobicContact CB-CB 4.1Å; L263-P280 HydrophobicContact CB-CG 4.17Å; L263-P280 HydrophobicContact CD2-CG 4.21Å; L263-L282 HydrophobicContact CD2-CD2 3.45Å; L263-L282 VanDerWaalsContact CD2-CD2 3.45Å
264I98Very high96.1Very high36 Ų3665.7 Ų65.719%0.18535%0.347CS..EExtended strand (participates in β ladder)trans-109.3104.7-176.6-53170.6000109.4T203 R262 P280 K281 E283T203-I264 HydrophobicContact CG2-CG2 4.46Å; R262-I264 HydrophobicContact CG-CG1 4.06Å; I264-P280 WeakPolarHBondContact O-CA 3.44Å; I264-K281 HydrophobicContact CB-CB 4.24Å; I264-K281 PolarHBondContact N-O 3.31Å; I264-K281 PolarHBondContact O-N 3.19Å; I264-E283 HydrophobicContact CD1-CB 4.39Å
265Y97.1Very high96Very high5 Ų567.4 Ų67.42%0.0236%0.355CS..PPolyproline II helixtrans-88.4133.9175.6-65.1-91.4000110.2I160 T161 I202 T203 T204 L263 F275 Q278 P280I160-Y265 HydrophobicContact CG2-CE2 4.49Å; I160-Y265 WeakPolarHBondContact CG2-OH 3.35Å; T161-Y265 PolarHBondContact OG1-OH 3.18Å; I202-Y265 HydrophobicContact CG2-CD2 3.8Å; I202-Y265 HydrophobicContact CG2-CE2 3.78Å; T203-Y265 PolarHBondContact O-N 2.84Å; T204-Y265 HydrophobicContact CG2-CD2 4.25Å; L263-Y265 HydrophobicContact CB-CD2 4.48Å; L263-Y265 HydrophobicContact CB-CE2 3.79Å; Y265-F275 HydrophobicContact CD1-CB 4.48Å; Y265-F275 AromaticContact CD1-CD2 3.6Å; Y265-F275 HydrophobicContact CD1-CD2 3.6Å; Y265-F275 HydrophobicContact CD1-CE2 4.4Å; Y265-F275 AromaticContact CD2-CD2 3.6Å; Y265-F275 HydrophobicContact CD2-CD2 3.6Å; Y265-F275 AromaticContact CD2-CE2 3.81Å; Y265-F275 HydrophobicContact CD2-CE2 3.81Å; Y265-F275 AromaticContact CE1-CD2 3.8Å; Y265-F275 HydrophobicContact CE1-CD2 3.8Å; Y265-F275 HydrophobicContact CE1-CE2 4.26Å; Y265-F275 AromaticContact CE2-CD2 3.79Å; Y265-F275 HydrophobicContact CE2-CD2 3.79Å; Y265-F275 AromaticContact CE2-CE2 3.64Å; Y265-F275 HydrophobicContact CE2-CE2 3.64Å; Y265-F275 AromaticContact CG-CD2 3.5Å; Y265-F275 HydrophobicContact CG-CD2 3.5Å; Y265-F275 HydrophobicContact CG-CE2 4.19Å; Y265-F275 HydrophobicContact CG-CG 4.44Å; Y265-F275 AromaticContact CZ-CD2 3.89Å; Y265-F275 AromaticContact CZ-CE2 3.88Å; Y265-Q278 HydrophobicContact CD1-CG 3.56Å; Y265-Q278 HydrophobicContact CE1-CG 4.17Å; Y265-Q278 WeakPolarHBondContact CE1-O 3.39Å; Y265-P280 HydrophobicContact CD1-CB 4.05Å; Y265-P280 HydrophobicContact CD2-CB 4.14Å; Y265-P280 HydrophobicContact CE1-CB 3.84Å; Y265-P280 HydrophobicContact CE1-CG 4.05Å; Y265-P280 HydrophobicContact CE2-CB 3.92Å; Y265-P280 HydrophobicContact CE2-CG 4.31Å; Y265-P280 HydrophobicContact CG-CB 4.19Å
266K96.2Very high95.9Very high96 Ų9667.6 Ų67.642%0.41736%0.356SS..PPolyproline II helixtrans-95.5161.7-178.3-67.4-175.9176-177.20110.5Q278K266-Q278 VanDerWaalsContact N-OE1 3.09Å; K266-Q278 PolarHBondContact O-NE2 3.28Å; K266-Q278 PolarHBondContact O-OE1 2.98Å
267P96.5Very high95.7Very high81 Ų8168.4 Ų68.453%0.52635%0.351SS..PPolyproline II helixtrans-51.9146169.4-26.234.7000111.6P205 R272P205-P267 HydrophobicContact CB-CG 4.19Å; P205-P267 HydrophobicContact CG-CB 4.24Å; P205-P267 HydrophobicContact CG-CG 3.92Å; P267-R272 PolarHBondContact O-NH1 3.14Å; P267-R272 VanDerWaalsContact O-NH1 3.15Å
268S94.8Very high95.4Very high79 Ų7967.1 Ų67.155%0.55234%0.344SS*.PPolyproline II helixtrans-60153.7171.859.30000110.2R272S268-R272 CarbonylContact C-O 3.51Å; S268-R272 VanDerWaalsContact CA-O 3.28Å; S268-R272 WeakPolarHBondContact CA-O 3.42Å; S268-R272 WeakPolarHBondContact CB-O 3.31Å
269S94.2Very high95Very high64 Ų6464.4 Ų64.445%0.44834%0.336SS..BIsolated β-bridgetrans-151.3178.9171.775.10000109.3F271 R272S269-F271 PolarHBondContact O-N 3.21Å; S269-F271 PolarHBondContact OG-N 2.87Å; S269-R272 PolarHBondContact N-O 3.27Å; S269-R272 CarbonylContact O-C 3.6Å; S269-R272 PolarHBondContact O-N 3.19Å; S269-R272 PolarHBondContact OG-N 3Å
270L92.7Very high94.8Very high155 Ų15565.2 Ų65.281%0.81234%0.341SS*.THydrogen-bonded Turntrans-52.1-27.6176.3-16868000113.5
271F90.8Very high94.7Very high195 Ų19570.6 Ų70.686%0.85536%0.364SS*.THydrogen-bonded Turntrans-1168.6-177.8-52.5-69.6000113.6S269S269-F271 PolarHBondContact O-N 3.21Å; S269-F271 PolarHBondContact OG-N 2.87Å
272R91.4Very high94.6Very high91 Ų9169.9 Ų69.934%0.34336%0.363SS..BIsolated β-bridgetrans-140.4115.3-178.8-168.8-174.9-57.4131.51.4110.1P267 S268 S269 Q278P267-R272 PolarHBondContact O-NH1 3.14Å; P267-R272 VanDerWaalsContact O-NH1 3.15Å; S268-R272 CarbonylContact C-O 3.51Å; S268-R272 VanDerWaalsContact CA-O 3.28Å; S268-R272 WeakPolarHBondContact CA-O 3.42Å; S268-R272 WeakPolarHBondContact CB-O 3.31Å; S269-R272 PolarHBondContact N-O 3.27Å; S269-R272 CarbonylContact O-C 3.6Å; S269-R272 PolarHBondContact O-N 3.19Å; S269-R272 PolarHBondContact OG-N 3Å; R272-Q278 VanDerWaalsContact CD-OE1 3.25Å; R272-Q278 HydrophobicContact CG-CB 4.08Å
273S93.5Very high94.6Very high73 Ų7369 Ų6951%0.5136%0.362SS..PPolyproline II helixtrans-60.5157.5172.7-54.30000111.9N277 Q278S273-N277 VanDerWaalsContact CB-O 3.28Å; S273-N277 WeakPolarHBondContact CB-O 3.29Å; S273-Q278 WeakPolarHBondContact O-CB 3.49Å; S273-Q278 PolarHBondContact O-NE2 2.97Å
274E94.1Very high94.6Very high129 Ų12974.3 Ų74.360%0.60338%0.383SS*.PPolyproline II helixtrans-67.2164.1173.765.2-169.6157.500112.9N277E274-N277 WeakPolarHBondContact O-CA 3.31Å; E274-N277 PolarHBondContact O-N 2.78Å
275F95.6Very high94.6Very high36 Ų3675.1 Ų75.116%0.15839%0.386CS..THydrogen-bonded Turntrans-61.6137.1168.5171.3-96.1000109.8I160 I202 T204 L217 D220 I221 Y265I160-F275 HydrophobicContact CG2-CD2 4.49Å; I160-F275 HydrophobicContact CG2-CE2 3.71Å; I160-F275 HydrophobicContact CG2-CZ 4.21Å; I202-F275 HydrophobicContact CG2-CE2 4.31Å; T204-F275 HydrophobicContact CG2-CB 4.41Å; T204-F275 HydrophobicContact CG2-CD1 4.08Å; T204-F275 HydrophobicContact CG2-CD2 3.74Å; T204-F275 HydrophobicContact CG2-CE1 4.24Å; T204-F275 HydrophobicContact CG2-CE2 3.9Å; T204-F275 HydrophobicContact CG2-CG 3.82Å; T204-F275 HydrophobicContact CG2-CZ 4.15Å; L217-F275 HydrophobicContact CD1-CZ 3.9Å; D220-F275 HydrophobicContact CB-CE1 4.46Å; I221-F275 HydrophobicContact CG2-CE1 3.71Å; I221-F275 HydrophobicContact CG2-CE2 4.36Å; I221-F275 HydrophobicContact CG2-CZ 3.45Å; I221-F275 VanDerWaalsContact CG2-CZ 3.45Å; Y265-F275 HydrophobicContact CD1-CB 4.48Å; Y265-F275 AromaticContact CD1-CD2 3.6Å; Y265-F275 HydrophobicContact CD1-CD2 3.6Å; Y265-F275 HydrophobicContact CD1-CE2 4.4Å; Y265-F275 AromaticContact CD2-CD2 3.6Å; Y265-F275 HydrophobicContact CD2-CD2 3.6Å; Y265-F275 AromaticContact CD2-CE2 3.81Å; Y265-F275 HydrophobicContact CD2-CE2 3.81Å; Y265-F275 AromaticContact CE1-CD2 3.8Å; Y265-F275 HydrophobicContact CE1-CD2 3.8Å; Y265-F275 HydrophobicContact CE1-CE2 4.26Å; Y265-F275 AromaticContact CE2-CD2 3.79Å; Y265-F275 HydrophobicContact CE2-CD2 3.79Å; Y265-F275 AromaticContact CE2-CE2 3.64Å; Y265-F275 HydrophobicContact CE2-CE2 3.64Å; Y265-F275 AromaticContact CG-CD2 3.5Å; Y265-F275 HydrophobicContact CG-CD2 3.5Å; Y265-F275 HydrophobicContact CG-CE2 4.19Å; Y265-F275 HydrophobicContact CG-CG 4.44Å; Y265-F275 AromaticContact CZ-CD2 3.89Å; Y265-F275 AromaticContact CZ-CE2 3.88Å
276P95.2Very high94.7Very high12 Ų1277.8 Ų77.88%0.07840%0.4CS..THydrogen-bonded Turncis-94.9143.439-40000114.8I160 I221 Q278I160-P276 HydrophobicContact CG2-CB 3.62Å; I221-P276 HydrophobicContact CB-CB 4.19Å; I221-P276 HydrophobicContact CB-CG 4.01Å; I221-P276 HydrophobicContact CG2-CB 3.91Å; I221-P276 HydrophobicContact CG2-CG 4.21Å; P276-Q278 VanDerWaalsContact C-N 3.3Å; P276-Q278 PolarHBondContact O-N 3.25Å
277N94.6Very high94.8Very high59 Ų5973.2 Ų73.232%0.31638%0.38SS..SBendtrans-91.428.7-168.7-60.8-43.1000113.9L173 R176 S273 E274L173-N277 WeakPolarHBondContact CD1-O 3.41Å; R176-N277 PolarHBondContact NH1-OD1 2.71Å; R176-N277 PolarHBondContact NH2-OD1 3.48Å; S273-N277 VanDerWaalsContact CB-O 3.28Å; S273-N277 WeakPolarHBondContact CB-O 3.29Å; E274-N277 WeakPolarHBondContact O-CA 3.31Å; E274-N277 PolarHBondContact O-N 2.78Å
278Q91.7Very high94.9Very high11 Ų1169.4 Ų69.45%0.05136%0.355CS..SBendtrans-133.6162.5177.366.3176.1-9000110.6T161 Y265 K266 R272 S273 P276T161-Q278 WeakPolarHBondContact CG2-O 3.44Å; T161-Q278 PolarHBondContact OG1-O 3.13Å; Y265-Q278 HydrophobicContact CD1-CG 3.56Å; Y265-Q278 HydrophobicContact CE1-CG 4.17Å; Y265-Q278 WeakPolarHBondContact CE1-O 3.39Å; K266-Q278 VanDerWaalsContact N-OE1 3.09Å; K266-Q278 PolarHBondContact O-NE2 3.28Å; K266-Q278 PolarHBondContact O-OE1 2.98Å; R272-Q278 VanDerWaalsContact CD-OE1 3.25Å; R272-Q278 HydrophobicContact CG-CB 4.08Å; S273-Q278 WeakPolarHBondContact O-CB 3.49Å; S273-Q278 PolarHBondContact O-NE2 2.97Å; P276-Q278 VanDerWaalsContact C-N 3.3Å; P276-Q278 PolarHBondContact O-N 3.25Å
279S90.1Very high95Very high77 Ų7766.8 Ų66.854%0.53834%0.341SS..PPolyproline II helixtrans-79.8126.9168.9-61.40000110.7
280P93.8Very high95Very high18 Ų1865.4 Ų65.412%0.11733%0.33CS..PPolyproline II helixtrans-74.6159.3176.730.5-33.7000111.8L157 L263 I264 Y265 L282L157-P280 HydrophobicContact CD1-CG 3.7Å; L263-P280 HydrophobicContact CB-CB 4.1Å; L263-P280 HydrophobicContact CB-CG 4.17Å; L263-P280 HydrophobicContact CD2-CG 4.21Å; I264-P280 WeakPolarHBondContact O-CA 3.44Å; Y265-P280 HydrophobicContact CD1-CB 4.05Å; Y265-P280 HydrophobicContact CD2-CB 4.14Å; Y265-P280 HydrophobicContact CE1-CB 3.84Å; Y265-P280 HydrophobicContact CE1-CG 4.05Å; Y265-P280 HydrophobicContact CE2-CB 3.92Å; Y265-P280 HydrophobicContact CE2-CG 4.31Å; Y265-P280 HydrophobicContact CG-CB 4.19Å; P280-L282 HydrophobicContact CG-CD2 4.05Å
281K95.1Very high95.3Very high131 Ų13158.1 Ų58.157%0.5729%0.292SS*.EExtended strand (participates in β ladder)trans-72.9135.6156.9175.8-174.2176.3-171.20108I264I264-K281 HydrophobicContact CB-CB 4.24Å; I264-K281 PolarHBondContact N-O 3.31Å; I264-K281 PolarHBondContact O-N 3.19Å
282L95.7Very high95.7Very high47 Ų4748.8 Ų48.825%0.24625%0.251CS..EExtended strand (participates in β ladder)trans-97.3132.4178.1-53.7179.5000110.2L157 I260 L263 P280 Y284L157-L282 HydrophobicContact CD2-CD2 4.37Å; I260-L282 HydrophobicContact CD1-CD1 3.93Å; I260-L282 HydrophobicContact CD1-CD2 4.38Å; I260-L282 HydrophobicContact CG1-CD1 4.22Å; I260-L282 HydrophobicContact CG2-CD2 4.12Å; L263-L282 HydrophobicContact CD2-CD2 3.45Å; L263-L282 VanDerWaalsContact CD2-CD2 3.45Å; P280-L282 HydrophobicContact CG-CD2 4.05Å; L282-Y284 HydrophobicContact CB-CE1 4.39Å; L282-Y284 HydrophobicContact CB-CE2 4Å
283E97.9Very high96Very high54 Ų5446.1 Ų46.125%0.25224%0.243SC..EExtended strand (participates in β ladder)trans-103.7147.7162.4-176.6178.9148.500108.5K261 R262 I264K261-E283 HydrophobicContact CD-CG 4.47Å; K261-E283 PolarHBondContact N-O 3.38Å; K261-E283 IonicContact NZ-OE1 3.65Å; R262-E283 HydrophobicContact CB-CB 4.13Å; R262-E283 IonicContact CZ-OE2 3.71Å; R262-E283 PolarHBondContact N-O 3.22Å; R262-E283 IonicContact NE-OE2 3.94Å; R262-E283 PolarHBondContact NE-OE2 3.42Å; R262-E283 IonicContact NH2-OE1 3.12Å; R262-E283 IonicContact NH2-OE2 2.84Å; R262-E283 PolarHBondContact NH2-OE2 3.12Å; R262-E283 PolarHBondContact O-N 2.98Å; I264-E283 HydrophobicContact CD1-CB 4.39Å
284Y98.3Very high96.2Very high112 Ų11244.8 Ų44.844%0.43923%0.229SC..EExtended strand (participates in β ladder)trans-120.8153-172.6-59.4-88000111.6L258 T259 I260 L282L258-Y284 HydrophobicContact CB-CD1 3.98Å; L258-Y284 HydrophobicContact CB-CG 4.14Å; T259-Y284 CarbonylContact O-C 3.56Å; T259-Y284 WeakPolarHBondContact O-CA 3.07Å; I260-Y284 HydrophobicContact CG1-CD1 4.42Å; I260-Y284 HydrophobicContact CG1-CE1 4.06Å; L282-Y284 HydrophobicContact CB-CE1 4.39Å; L282-Y284 HydrophobicContact CB-CE2 4Å
285E97.9Very high96.4Very high53 Ų5338.7 Ų38.725%0.24820%0.2CC..EExtended strand (participates in β ladder)trans-137.1-169.4170.167.4-179.5170.200110.5T259 K261 N292T259-E285 PolarHBondContact N-O 3.03Å; T259-E285 PolarHBondContact O-N 3.48Å; K261-E285 HydrophobicContact CB-CB 3.88Å; K261-E285 HydrophobicContact CB-CG 3.72Å; K261-E285 HydrophobicContact CD-CB 4.1Å; K261-E285 HydrophobicContact CG-CB 4.15Å; K261-E285 HydrophobicContact CG-CG 4.07Å; E285-N292 WeakPolarHBondContact OE1-CB 3.34Å; E285-N292 PolarHBondContact OE1-ND2 3.48Å
286D98.5Very high96.5Very high61 Ų6137 Ų3733%0.32619%0.193SC..SBendtrans-77.2147.3177.9-160.614.3000113.3S255 G256 L293S255-D286 WeakPolarHBondContact CB-OD2 3.41Å; G256-D286 VanDerWaalsContact CA-OD1 3.31Å; G256-D286 WeakPolarHBondContact CA-OD1 3.14Å; G256-D286 PolarHBondContact N-OD1 3.01Å; D286-L293 HydrophobicContact CB-CB 4.49Å; D286-L293 HydrophobicContact CB-CD2 4.34Å; D286-L293 WeakPolarHBondContact O-CB 3.3Å; D286-L293 PolarHBondContact O-N 3Å
287G98.5Very high96.6Very high0 Ų039.9 Ų39.90%021%0.206CC..BIsolated β-bridgetrans165.2-156.1-179.800000110.9S255 L257 T259 V291S255-G287 CarbonylContact C-O 3.55Å; S255-G287 VanDerWaalsContact CA-O 3.31Å; S255-G287 WeakPolarHBondContact CA-O 3.24Å; L257-G287 WeakPolarHBondContact CB-O 3.47Å; L257-G287 PolarHBondContact N-O 2.91Å; L257-G287 VanDerWaalsContact N-O 3.15Å; L257-G287 PolarHBondContact O-N 3.22Å; T259-G287 VanDerWaalsContact OG1-C 3.25Å; T259-G287 VanDerWaalsContact OG1-CA 3.23Å; T259-G287 WeakPolarHBondContact OG1-CA 3.03Å; T259-G287 PolarHBondContact OG1-N 3.47Å; G287-V291 WeakPolarHBondContact CA-O 3.21Å
288D97.9Very high96.7Very high0 Ų038.1 Ų38.10%020%0.195CC..BIsolated β-bridgetrans-10210.4-177.369.114.8000114.3S254 L257 T259 T290 V291 L296 N314 H315S254-D288 WeakPolarHBondContact OG-CB 3.33Å; L257-D288 WeakPolarHBondContact CD1-O 3.3Å; T259-D288 PolarHBondContact OG1-N 2.83Å; D288-T290 VanDerWaalsContact C-N 3.35Å; D288-T290 WeakPolarHBondContact OD1-CA 3.39Å; D288-T290 PolarHBondContact OD1-N 3.1Å; D288-V291 PolarHBondContact N-O 3.47Å; D288-V291 PolarHBondContact OD1-N 3.1Å; D288-L296 HydrophobicContact CB-CD1 3.89Å; D288-N314 CarbonylContact O-C 3.48Å; D288-N314 WeakPolarHBondContact O-CA 3.44Å; D288-H315 HydrophobicContact CB-CB 4.42Å; D288-H315 VanDerWaalsContact CG-ND1 3.32Å; D288-H315 PolarHBondContact O-N 3.38Å; D288-H315 IonicContact OD1-CG 3.4Å; D288-H315 IonicContact OD1-ND1 2.63Å; D288-H315 PolarHBondContact OD1-ND1 3.27Å; D288-H315 IonicContact OD2-CE1 3.55Å; D288-H315 IonicContact OD2-CG 3.94Å; D288-H315 IonicContact OD2-ND1 2.62Å; D288-H315 PolarHBondContact OD2-ND1 2.9Å
289G96.4Very high97Very high24 Ų2437.6 Ų37.625%0.24719%0.193CC..SBendtrans89.5-5.9-173.700000114.1T259T259-G289 WeakPolarHBondContact OG1-CA 3.41Å; T259-G289 PolarHBondContact OG1-N 3.46Å
290T96.1Very high97.3Very high35 Ų3536.1 Ų36.122%0.21518%0.181CC..SBendtrans-132.6-49.9174-650000112K154 D288K154-T290 HydrophobicContact CD-CG2 4.24Å; D288-T290 VanDerWaalsContact C-N 3.35Å; D288-T290 WeakPolarHBondContact OD1-CA 3.39Å; D288-T290 PolarHBondContact OD1-N 3.1Å
291V98.2Very high97.4Very high2 Ų242.9 Ų42.91%0.01221%0.208CC..SBendtrans-108.3130.2-175-173.30000109.7P148 A152 G287 D288 L296 H315P148-V291 HydrophobicContact CB-CG1 3.82Å; P148-V291 HydrophobicContact CB-CG2 3.94Å; A152-V291 HydrophobicContact CB-CG1 4.5Å; A152-V291 HydrophobicContact CB-CG2 4.31Å; G287-V291 WeakPolarHBondContact CA-O 3.21Å; D288-V291 PolarHBondContact N-O 3.47Å; D288-V291 PolarHBondContact OD1-N 3.1Å; V291-L296 HydrophobicContact CB-CD1 4.31Å; V291-L296 HydrophobicContact CB-CD2 3.9Å; V291-L296 HydrophobicContact CB-CG 3.9Å; V291-L296 HydrophobicContact CG1-CD2 3.86Å; V291-L296 HydrophobicContact CG1-CG 3.7Å; V291-L296 VanDerWaalsContact O-CD1 3.31Å; V291-L296 WeakPolarHBondContact O-CD1 3.36Å; V291-H315 VanDerWaalsContact CG2-CE1 3.42Å; V291-H315 WeakPolarHBondContact CG2-CE1 3.35Å
292N98.4Very high97.5Very high0 Ų037.4 Ų37.40%018%0.184CC..BIsolated β-bridgetrans-65142.7-178.4-55.182.1000110.6V153 W195 I260 E285 Q294 S295 L296V153-N292 PolarHBondContact N-OD1 2.81Å; W195-N292 HydrophobicContact CH2-CB 3.81Å; W195-N292 VanDerWaalsContact CH2-CG 3.48Å; W195-N292 HydrophobicContact CZ2-CB 3.82Å; I260-N292 PolarHBondContact O-ND2 3.11Å; E285-N292 WeakPolarHBondContact OE1-CB 3.34Å; E285-N292 PolarHBondContact OE1-ND2 3.48Å; N292-Q294 HydrophobicContact CB-CG 4.41Å; N292-Q294 PolarHBondContact O-N 2.96Å; N292-Q294 VanDerWaalsContact O-N 3.14Å; N292-S295 WeakPolarHBondContact O-CB 3.45Å; N292-S295 PolarHBondContact O-N 3.32Å; N292-L296 PolarHBondContact O-N 3.33Å; N292-L296 VanDerWaalsContact O-N 3.11Å
293L98.4Very high97.4Very high34 Ų3438.6 Ų38.618%0.17820%0.195CC..Hα-helixtrans-53.7-39.7-175.4-179.960000112.9Y253 D286 S295 L296 Q297Y253-L293 HydrophobicContact CD2-CD1 4.05Å; Y253-L293 HydrophobicContact CE2-CD1 3.91Å; D286-L293 HydrophobicContact CB-CB 4.49Å; D286-L293 HydrophobicContact CB-CD2 4.34Å; D286-L293 WeakPolarHBondContact O-CB 3.3Å; D286-L293 PolarHBondContact O-N 3Å; L293-S295 VanDerWaalsContact C-N 3.26Å; L293-S295 PolarHBondContact O-N 2.85Å; L293-L296 PolarHBondContact O-N 2.86Å; L293-Q297 WeakPolarHBondContact O-CB 3.42Å; L293-Q297 VanDerWaalsContact O-CG 3.24Å; L293-Q297 WeakPolarHBondContact O-CG 3.5Å; L293-Q297 PolarHBondContact O-N 3.31Å
294Q97.5Very high97Very high46 Ų4643.3 Ų43.322%0.21522%0.222CC..Hα-helixtrans-61.6-33.5179.165.9-179.1-14.900114.2W195 D199 N292W195-Q294 HydrophobicContact CZ2-CG 4.22Å; D199-Q294 PolarHBondContact OD2-NE2 3.41Å; N292-Q294 HydrophobicContact CB-CG 4.41Å; N292-Q294 PolarHBondContact O-N 2.96Å; N292-Q294 VanDerWaalsContact O-N 3.14Å
295S98.2Very high97Very high0 Ų039.1 Ų39.10%021%0.208CC..Hα-helixtrans-74.7-45.5175.9179.30000110.3P148 F149 G150 G151 N292 L293 Q297 H298P148-S295 VanDerWaalsContact C-OG 3.27Å; P148-S295 WeakPolarHBondContact CA-OG 3.17Å; F149-S295 WeakPolarHBondContact CD2-O 3.46Å; F149-S295 PolarHBondContact N-OG 2.91Å; G150-S295 VanDerWaalsContact C-OG 3.32Å; G150-S295 WeakPolarHBondContact CA-OG 3.27Å; G150-S295 PolarHBondContact N-OG 2.88Å; G151-S295 PolarHBondContact N-OG 2.84Å; G151-S295 WeakPolarHBondContact O-CB 3.45Å; G151-S295 PolarHBondContact O-OG 2.91Å; N292-S295 WeakPolarHBondContact O-CB 3.45Å; N292-S295 PolarHBondContact O-N 3.32Å; L293-S295 VanDerWaalsContact C-N 3.26Å; L293-S295 PolarHBondContact O-N 2.85Å; S295-Q297 PolarHBondContact O-N 2.64Å; S295-H298 PolarHBondContact O-N 2.91Å
296L98.3Very high96.9Very high1 Ų139.2 Ų39.21%0.00521%0.214CC..Hα-helixtrans-58.8-45.7178.4-74.5172.1000113.2Y253 S254 D288 V291 N292 L293 H298Y253-L296 HydrophobicContact CD2-CB 4.36Å; Y253-L296 HydrophobicContact CG-CB 4.3Å; S254-L296 WeakPolarHBondContact O-CD1 3.45Å; D288-L296 HydrophobicContact CB-CD1 3.89Å; V291-L296 HydrophobicContact CB-CD1 4.31Å; V291-L296 HydrophobicContact CB-CD2 3.9Å; V291-L296 HydrophobicContact CB-CG 3.9Å; V291-L296 HydrophobicContact CG1-CD2 3.86Å; V291-L296 HydrophobicContact CG1-CG 3.7Å; V291-L296 VanDerWaalsContact O-CD1 3.31Å; V291-L296 WeakPolarHBondContact O-CD1 3.36Å; N292-L296 PolarHBondContact O-N 3.33Å; N292-L296 VanDerWaalsContact O-N 3.11Å; L293-L296 PolarHBondContact O-N 2.86Å; L296-H298 VanDerWaalsContact C-N 3.27Å; L296-H298 PolarHBondContact O-N 3.08Å
297Q97.3Very high96.9Very high73 Ų7340.6 Ų40.634%0.34122%0.221SC..G310 helixtrans-83.23.7-173.576.4-169-20.300113.8Y253 L293 S295 C299 T300Y253-Q297 HydrophobicContact CE1-CB 4.45Å; Y253-Q297 HydrophobicContact CE2-CB 4.29Å; L293-Q297 WeakPolarHBondContact O-CB 3.42Å; L293-Q297 VanDerWaalsContact O-CG 3.24Å; L293-Q297 WeakPolarHBondContact O-CG 3.5Å; L293-Q297 PolarHBondContact O-N 3.31Å; S295-Q297 PolarHBondContact O-N 2.64Å; Q297-C299 PolarHBondContact O-N 2.92Å; Q297-T300 HydrophobicContact CB-CG2 4.04Å; Q297-T300 VanDerWaalsContact O-CB 3.28Å; Q297-T300 WeakPolarHBondContact O-CB 3.24Å; Q297-T300 VanDerWaalsContact O-CG2 3.27Å; Q297-T300 WeakPolarHBondContact O-CG2 3.45Å; Q297-T300 PolarHBondContact O-N 2.88Å; Q297-T300 PolarHBondContact O-OG1 2.77Å
298H97.3Very high96.8Very high21 Ų2142 Ų4210%0.09723%0.228CC..G310 helixtrans-56.5-38.5-178.7-175.682.1000112F149 I194 S295 L296 T300 K301F149-H298 HydrophobicContact CB-CB 3.61Å; F149-H298 HydrophobicContact CD2-CB 3.99Å; F149-H298 HydrophobicContact CG-CB 3.99Å; I194-H298 HydrophobicContact CD1-CB 4.08Å; I194-H298 VanDerWaalsContact CD1-ND1 3.29Å; I194-H298 WeakPolarHBondContact CD1-ND1 3.44Å; S295-H298 PolarHBondContact O-N 2.91Å; L296-H298 VanDerWaalsContact C-N 3.27Å; L296-H298 PolarHBondContact O-N 3.08Å; H298-T300 PolarHBondContact O-N 2.8Å; H298-T300 VanDerWaalsContact O-N 3.11Å; H298-K301 WeakPolarHBondContact O-CB 3.35Å; H298-K301 PolarHBondContact O-N 2.92Å; H298-K301 VanDerWaalsContact O-N 3.12Å
299C97Very high96.8Very high1 Ų145.8 Ų45.81%0.00725%0.245CC..G310 helixtrans-61.9-17.6177.547.70000114.3F149 C251 Q297 K301 W302 V305F149-C299 HydrophobicContact CD2-CB 4.33Å; F149-C299 HydrophobicContact CE2-CB 3.55Å; F149-C299 WeakPolarHBondContact CE2-SG 3.48Å; F149-C299 HydrophobicContact CZ-CB 3.72Å; C251-C299 HydrophobicContact CB-CB 3.75Å; C251-C299 WeakPolarHBondContact CB-SG 3.22Å; C251-C299 WeakPolarHBondContact SG-CB 3.27Å; C251-C299 CovalentContact SG-SG 2.02Å; C251-C299 PolarHBondContact SG-SG 3.04Å; Q297-C299 PolarHBondContact O-N 2.92Å; C299-K301 PolarHBondContact O-N 3.5Å; C299-W302 HydrophobicContact CB-CD2 3.95Å; C299-W302 HydrophobicContact CB-CE3 3.49Å; C299-W302 VanDerWaalsContact CB-CE3 3.49Å; C299-W302 HydrophobicContact CB-CH2 3.96Å; C299-W302 HydrophobicContact CB-CZ2 4.36Å; C299-W302 HydrophobicContact CB-CZ3 3.49Å; C299-W302 VanDerWaalsContact CB-CZ3 3.49Å; C299-W302 VanDerWaalsContact O-CB 3.31Å; C299-W302 WeakPolarHBondContact O-CB 3.34Å; C299-W302 PolarHBondContact O-N 2.65Å; C299-W302 VanDerWaalsContact O-N 3.12Å; C299-V305 WeakPolarHBondContact O-CG1 3.34Å
300T96.7Very high96.9Very high46 Ų4645 Ų4528%0.28224%0.235SC..G310 helixtrans-65.8-18.1175.867.70000112.9Y253 Q297 H298 W302 I307Y253-T300 HydrophobicContact CE1-CG2 3.66Å; Q297-T300 HydrophobicContact CB-CG2 4.04Å; Q297-T300 VanDerWaalsContact O-CB 3.28Å; Q297-T300 WeakPolarHBondContact O-CB 3.24Å; Q297-T300 VanDerWaalsContact O-CG2 3.27Å; Q297-T300 WeakPolarHBondContact O-CG2 3.45Å; Q297-T300 PolarHBondContact O-N 2.88Å; Q297-T300 PolarHBondContact O-OG1 2.77Å; H298-T300 PolarHBondContact O-N 2.8Å; H298-T300 VanDerWaalsContact O-N 3.11Å; T300-W302 VanDerWaalsContact C-N 3.3Å; T300-I307 HydrophobicContact CG2-CD1 3.77Å; T300-I307 HydrophobicContact CG2-CG1 4.18Å; T300-I307 HydrophobicContact CG2-CG2 4.49Å
301K96.3Very high96.9Very high159 Ų15947.5 Ų47.569%0.69125%0.246SC*.G310 helixtrans-79.6-12176.3-59.4-178.8-179.9-177.30113.1H298 C299H298-K301 WeakPolarHBondContact O-CB 3.35Å; H298-K301 PolarHBondContact O-N 2.92Å; H298-K301 VanDerWaalsContact O-N 3.12Å; C299-K301 PolarHBondContact O-N 3.5Å
302W96.5Very high96.8Very high16 Ų1651.8 Ų51.86%0.06127%0.272CS..SBendtrans-74.7146.3-178.2-69.1-19.4000112.4L124 Y142 F149 L240 Y242 V249 C299 T300 V305L124-W302 HydrophobicContact CD1-CH2 3.97Å; L124-W302 HydrophobicContact CD1-CZ2 4.28Å; L124-W302 HydrophobicContact CD2-CH2 3.93Å; L124-W302 HydrophobicContact CD2-CZ2 3.87Å; Y142-W302 HydrophobicContact CE1-CH2 4.29Å; Y142-W302 HydrophobicContact CE1-CZ3 4.13Å; F149-W302 HydrophobicContact CD1-CH2 4.32Å; F149-W302 HydrophobicContact CD1-CZ2 4.28Å; F149-W302 AromaticContact CE1-CH2 3.4Å; F149-W302 HydrophobicContact CE1-CH2 3.4Å; F149-W302 AromaticContact CE1-CZ2 3.79Å; F149-W302 HydrophobicContact CE1-CZ2 3.79Å; F149-W302 HydrophobicContact CE1-CZ3 4.38Å; F149-W302 AromaticContact CZ-CH2 3.6Å; F149-W302 HydrophobicContact CZ-CH2 3.6Å; F149-W302 HydrophobicContact CZ-CZ2 4.27Å; F149-W302 HydrophobicContact CZ-CZ3 4.16Å; L240-W302 PolarHBondContact O-NE1 3.15Å; Y242-W302 HydrophobicContact CD2-CB 3.45Å; Y242-W302 VanDerWaalsContact CD2-CB 3.45Å; Y242-W302 AromaticContact CD2-CD2 3.9Å; Y242-W302 HydrophobicContact CD2-CD2 3.9Å; Y242-W302 HydrophobicContact CD2-CE3 4.03Å; Y242-W302 AromaticContact CD2-CG 3.69Å; Y242-W302 HydrophobicContact CD2-CG 3.69Å; Y242-W302 HydrophobicContact CE2-CB 4.19Å; Y242-W302 HydrophobicContact CG-CB 4.1Å; Y242-W302 HydrophobicContact CG-CG 4.18Å; V249-W302 HydrophobicContact CG1-CE3 3.98Å; V249-W302 HydrophobicContact CG1-CZ3 4.05Å; C299-W302 HydrophobicContact CB-CD2 3.95Å; C299-W302 HydrophobicContact CB-CE3 3.49Å; C299-W302 VanDerWaalsContact CB-CE3 3.49Å; C299-W302 HydrophobicContact CB-CH2 3.96Å; C299-W302 HydrophobicContact CB-CZ2 4.36Å; C299-W302 HydrophobicContact CB-CZ3 3.49Å; C299-W302 VanDerWaalsContact CB-CZ3 3.49Å; C299-W302 VanDerWaalsContact O-CB 3.31Å; C299-W302 WeakPolarHBondContact O-CB 3.34Å; C299-W302 PolarHBondContact O-N 2.65Å; C299-W302 VanDerWaalsContact O-N 3.12Å; T300-W302 VanDerWaalsContact C-N 3.3Å; W302-V305 HydrophobicContact CB-CB 4.17Å; W302-V305 HydrophobicContact CB-CG1 4.42Å; W302-V305 HydrophobicContact CE3-CG2 4.43Å; W302-V305 VanDerWaalsContact O-CG1 3.26Å; W302-V305 WeakPolarHBondContact O-CG1 3.36Å
303P94Very high96.7Very high73 Ų7352 Ų5247%0.47427%0.274SS..THydrogen-bonded Turntrans-66.7139.8178.129.2-35.2000111.1Y242 V305Y242-P303 HydrophobicContact CD1-CG 3.81Å; Y242-P303 HydrophobicContact CD2-CG 4.49Å; Y242-P303 HydrophobicContact CE1-CG 4.06Å; Y242-P303 WeakPolarHBondContact CE2-O 3.42Å; Y242-P303 HydrophobicContact CG-CG 4.03Å; P303-V305 PolarHBondContact O-N 2.92Å
304N89.9Confident96.6Very high152 Ų15253.8 Ų53.881%0.81328%0.284SS*.THydrogen-bonded Turntrans5622.2175.2-53.1-39.1000115
305V96.6Very high96.5Very high24 Ų2452.2 Ų52.215%0.14528%0.276CS..PPolyproline II helixtrans-73132.1176.569.60000110.4V249 C251 C299 W302 P303 I307V249-V305 HydrophobicContact CG1-CG2 4.15Å; C251-V305 HydrophobicContact CB-CG2 3.48Å; C251-V305 VanDerWaalsContact CB-CG2 3.48Å; C299-V305 WeakPolarHBondContact O-CG1 3.34Å; W302-V305 HydrophobicContact CB-CB 4.17Å; W302-V305 HydrophobicContact CB-CG1 4.42Å; W302-V305 HydrophobicContact CE3-CG2 4.43Å; W302-V305 VanDerWaalsContact O-CG1 3.26Å; W302-V305 WeakPolarHBondContact O-CG1 3.36Å; P303-V305 PolarHBondContact O-N 2.92Å; V305-I307 HydrophobicContact CG1-CD1 4.48Å; V305-I307 HydrophobicContact CG1-CG1 4.15Å
306S97Very high96.3Very high55 Ų5555.2 Ų55.239%0.38529%0.294SS..EExtended strand (participates in β ladder)trans-86.7125.5169.7-71.10000109.4V249 Y250 C251V249-S306 PolarHBondContact O-N 3.06Å; Y250-S306 CarbonylContact C-O 3.21Å; Y250-S306 WeakPolarHBondContact CA-O 3.16Å; C251-S306 PolarHBondContact N-O 3.11Å
307I97.6Very high96.2Very high91 Ų9158.5 Ų58.547%0.46732%0.316SS..EExtended strand (participates in β ladder)trans-101.8130.2-174.5-59.8167.7000109.7Y253 T300 V305 H309Y253-I307 HydrophobicContact CE1-CG2 3.7Å; T300-I307 HydrophobicContact CG2-CD1 3.77Å; T300-I307 HydrophobicContact CG2-CG1 4.18Å; T300-I307 HydrophobicContact CG2-CG2 4.49Å; V305-I307 HydrophobicContact CG1-CD1 4.48Å; V305-I307 HydrophobicContact CG1-CG1 4.15Å; I307-H309 HydrophobicContact CG2-CB 4.4Å
308M97.2Very high96.1Very high29 Ų2955 Ų5514%0.14330%0.3CS..EExtended strand (participates in β ladder)trans-120.997.7167.5-177177.2-168.700108.9C251 V252 Y253 L310 R323 F324 F327C251-M308 PolarHBondContact O-N 2.66Å; V252-M308 WeakPolarHBondContact CA-O 3.17Å; V252-M308 HydrophobicContact CB-CB 4.4Å; V252-M308 HydrophobicContact CG1-CB 4.19Å; V252-M308 HydrophobicContact CG1-CG 4.22Å; V252-M308 HydrophobicContact CG1-SD 4.12Å; V252-M308 HydrophobicContact CG2-CB 4.07Å; V252-M308 HydrophobicContact CG2-SD 4.47Å; Y253-M308 PolarHBondContact N-O 3.12Å; Y253-M308 VanDerWaalsContact N-O 3.1Å; M308-L310 HydrophobicContact CE-CD1 4.16Å; M308-L310 HydrophobicContact CE-CD2 3.69Å; M308-L310 HydrophobicContact CE-CG 4.22Å; M308-L310 HydrophobicContact CG-CD2 4.28Å; M308-L310 HydrophobicContact CG-CG 4.3Å; M308-R323 VanDerWaalsContact CE-C 3.44Å; M308-R323 HydrophobicContact CE-CB 4.12Å; M308-R323 VanDerWaalsContact CE-O 3.3Å; M308-R323 WeakPolarHBondContact CE-O 3.13Å; M308-F324 HydrophobicContact CE-CB 4.42Å; M308-F324 HydrophobicContact SD-CD2 4.28Å; M308-F327 HydrophobicContact CE-CB 3.59Å; M308-F327 HydrophobicContact CE-CG 4.15Å; M308-F327 HydrophobicContact SD-CB 3.61Å; M308-F327 HydrophobicContact SD-CD1 3.52Å; M308-F327 VanDerWaalsContact SD-CD1 3.52Å; M308-F327 HydrophobicContact SD-CD2 4.16Å; M308-F327 HydrophobicContact SD-CE1 4.28Å; M308-F327 HydrophobicContact SD-CG 3.46Å; M308-F327 WeakPolarHBondContact SD-CG 3.29Å
309H98Very high96.1Very high79 Ų7954.1 Ų54.137%0.36630%0.295SS..EExtended strand (participates in β ladder)trans-96.1119177.7-179.3-157.3000110.3Y253 S255 I307 I311Y253-H309 AromaticContact CD2-CD2 3.68Å; Y253-H309 HydrophobicContact CE1-CB 4.49Å; Y253-H309 HydrophobicContact CE2-CB 4.13Å; Y253-H309 AromaticContact CE2-CD2 3.32Å; Y253-H309 WeakPolarHBondContact CE2-CD2 3.19Å; Y253-H309 AromaticContact CE2-CG 3.65Å; Y253-H309 AromaticContact CE2-NE2 3.76Å; Y253-H309 AromaticContact CZ-CG 3.93Å; Y253-H309 WeakPolarHBondContact O-CA 3.32Å; S255-H309 VanDerWaalsContact CB-NE2 3.35Å; S255-H309 WeakPolarHBondContact CB-NE2 3.42Å; S255-H309 PolarHBondContact OG-CE1 3.09Å; S255-H309 PolarHBondContact OG-NE2 3.4Å; I307-H309 HydrophobicContact CG2-CB 4.4Å; H309-I311 VanDerWaalsContact CE1-CD1 3.43Å; H309-I311 WeakPolarHBondContact CE1-CD1 3.23Å
310L98Very high96.1Very high7 Ų756.3 Ų56.34%0.03731%0.314CS..EExtended strand (participates in β ladder)trans-107.4112.4-179.7-64.5-178.7000111.6Y253 S254 S255 M308 I318 D321 R323 F324Y253-L310 PolarHBondContact O-N 2.85Å; S254-L310 WeakPolarHBondContact CA-O 3.37Å; S254-L310 WeakPolarHBondContact CB-O 3.47Å; S255-L310 PolarHBondContact N-O 3.23Å; M308-L310 HydrophobicContact CE-CD1 4.16Å; M308-L310 HydrophobicContact CE-CD2 3.69Å; M308-L310 HydrophobicContact CE-CG 4.22Å; M308-L310 HydrophobicContact CG-CD2 4.28Å; M308-L310 HydrophobicContact CG-CG 4.3Å; L310-I318 HydrophobicContact CD1-CD1 4.12Å; L310-I318 HydrophobicContact CD1-CG1 3.87Å; L310-D321 HydrophobicContact CD1-CB 4.4Å; L310-R323 HydrophobicContact CD2-CB 3.76Å; L310-R323 HydrophobicContact CD2-CG 4.47Å; L310-F324 HydrophobicContact CD1-CB 3.93Å
311I97Very high96.1Very high88 Ų8855.2 Ų55.245%0.45131%0.306SS..EExtended strand (participates in β ladder)trans-72.2133.5172.9-51.9-57.8000109.9H309 R323H309-I311 VanDerWaalsContact CE1-CD1 3.43Å; H309-I311 WeakPolarHBondContact CE1-CD1 3.23Å; I311-R323 PolarHBondContact O-NH1 2.81Å; I311-R323 PolarHBondContact O-NH2 3.29Å
312V96.3Very high96.1Very high92 Ų9255.4 Ų55.456%0.55831%0.307SS*.THydrogen-bonded Turntrans55.658.8175.6-169.40000111.6S255 L257S255-V312 PolarHBondContact O-N 3.31Å; L257-V312 HydrophobicContact CD2-CG1 4.11Å
313S96.7Very high96.2Very high6 Ų659.6 Ų59.64%0.04232%0.323CS..  trans-128.8110.1171.4-153.50000109.2S254 I318 D321S254-S313 WeakPolarHBondContact CB-O 3.44Å; S254-S313 PolarHBondContact OG-O 3.13Å; S313-I318 WeakPolarHBondContact OG-CA 3.46Å; S313-D321 WeakPolarHBondContact CB-OD2 3.35Å; S313-D321 PolarHBondContact OG-OD2 3Å
314N95.5Very high96.3Very high71 Ų7156.1 Ų56.138%0.3830%0.3SS..  trans-69.4153.2-172-172-61000111.5L257 D288 V316 P317 I318L257-N314 HydrophobicContact CD1-CB 3.65Å; D288-N314 CarbonylContact O-C 3.48Å; D288-N314 WeakPolarHBondContact O-CA 3.44Å; N314-V316 VanDerWaalsContact C-N 3.32Å; N314-V316 CarbonylContact O-C 3.58Å; N314-V316 PolarHBondContact O-N 2.94Å; N314-V316 VanDerWaalsContact O-N 3.1Å; N314-P317 HydrophobicContact CB-CB 4.26Å; N314-P317 HydrophobicContact CB-CG 3.87Å; N314-P317 VanDerWaalsContact O-CD 3.27Å; N314-P317 WeakPolarHBondContact O-CD 3.18Å; N314-P317 VanDerWaalsContact O-N 3.14Å; N314-I318 PolarHBondContact O-N 3.17Å
315H96.1Very high96.7Very high13 Ų1349.5 Ų49.56%0.0626%0.264CS..THydrogen-bonded Turntrans-37.7-55.1-173.5-16868.6000114H116 S117 S146 D288 V291 I318H116-H315 PolarHBondContact NE2-O 2.81Å; S117-H315 WeakPolarHBondContact CB-NE2 3.44Å; S117-H315 PolarHBondContact OG-CE1 3.33Å; S117-H315 PolarHBondContact OG-NE2 3.38Å; S146-H315 PolarHBondContact O-CE1 2.98Å; D288-H315 HydrophobicContact CB-CB 4.42Å; D288-H315 VanDerWaalsContact CG-ND1 3.32Å; D288-H315 PolarHBondContact O-N 3.38Å; D288-H315 IonicContact OD1-CG 3.4Å; D288-H315 IonicContact OD1-ND1 2.63Å; D288-H315 PolarHBondContact OD1-ND1 3.27Å; D288-H315 IonicContact OD2-CE1 3.55Å; D288-H315 IonicContact OD2-CG 3.94Å; D288-H315 IonicContact OD2-ND1 2.62Å; D288-H315 PolarHBondContact OD2-ND1 2.9Å; V291-H315 VanDerWaalsContact CG2-CE1 3.42Å; V291-H315 WeakPolarHBondContact CG2-CE1 3.35Å; H315-I318 WeakPolarHBondContact O-CG2 3.32Å
316V94.1Very high96.7Very high62 Ų6253.4 Ų53.438%0.37628%0.281SS..THydrogen-bonded Turntrans-84.9-46.4177.3174.80000112.8Y54 N314 I318 L319Y54-V316 HydrophobicContact CD2-CG1 3.81Å; Y54-V316 HydrophobicContact CE2-CG1 4.12Å; Y54-V316 HydrophobicContact CE2-CG2 4.38Å; N314-V316 VanDerWaalsContact C-N 3.32Å; N314-V316 CarbonylContact O-C 3.58Å; N314-V316 PolarHBondContact O-N 2.94Å; N314-V316 VanDerWaalsContact O-N 3.1Å; V316-I318 PolarHBondContact O-N 3.41Å; V316-L319 PolarHBondContact O-N 3.11Å
317P94.5Very high96.6Very high71 Ų7152.8 Ų52.846%0.46127%0.272SS..G310 helixtrans-55.7-17.7178-32.539.7000116.5N314 L319 A320 D321N314-P317 HydrophobicContact CB-CB 4.26Å; N314-P317 HydrophobicContact CB-CG 3.87Å; N314-P317 VanDerWaalsContact O-CD 3.27Å; N314-P317 WeakPolarHBondContact O-CD 3.18Å; N314-P317 VanDerWaalsContact O-N 3.14Å; P317-L319 PolarHBondContact O-N 3.08Å; P317-A320 CarbonylContact O-C 3.58Å; P317-A320 WeakPolarHBondContact O-CA 3.35Å; P317-A320 WeakPolarHBondContact O-CB 2.96Å; P317-A320 PolarHBondContact O-N 3.18Å; P317-D321 PolarHBondContact O-N 3.4Å
318I96.9Very high96.5Very high0 Ų048.5 Ų48.50%025%0.25CC..G310 helixtrans-54.1-33.2173.9-160.4172.4000112.8V145 S146 V252 L310 S313 N314 H315 V316 A320 D321 F324V145-I318 HydrophobicContact CG1-CD1 4.06Å; V145-I318 HydrophobicContact CG1-CG1 4.39Å; V145-I318 HydrophobicContact CG1-CG2 3.75Å; S146-I318 WeakPolarHBondContact OG-CD1 3.14Å; V252-I318 HydrophobicContact CG1-CD1 4.23Å; L310-I318 HydrophobicContact CD1-CD1 4.12Å; L310-I318 HydrophobicContact CD1-CG1 3.87Å; S313-I318 WeakPolarHBondContact OG-CA 3.46Å; N314-I318 PolarHBondContact O-N 3.17Å; H315-I318 WeakPolarHBondContact O-CG2 3.32Å; V316-I318 PolarHBondContact O-N 3.41Å; I318-A320 PolarHBondContact O-N 2.94Å; I318-D321 VanDerWaalsContact O-CB 3.31Å; I318-D321 WeakPolarHBondContact O-CB 3.07Å; I318-D321 PolarHBondContact O-N 3.22Å; I318-F324 VanDerWaalsContact O-CD1 3.26Å; I318-F324 WeakPolarHBondContact O-CD1 3.46Å
319L96.5Very high96.3Very high1 Ų149.5 Ų49.51%0.00525%0.254CS..G310 helixtrans-67-14.6176.7-66.1177.6000113.4Y54 F55 H116 V145 V316 P317 F324 L325Y54-L319 HydrophobicContact CD2-CD1 3.81Å; Y54-L319 HydrophobicContact CE2-CD1 3.73Å; Y54-L319 HydrophobicContact CG-CD1 4.39Å; F55-L319 HydrophobicContact CD2-CD1 4.36Å; F55-L319 HydrophobicContact CE1-CD1 4.4Å; F55-L319 HydrophobicContact CE1-CD2 4.16Å; F55-L319 HydrophobicContact CE2-CD1 4.25Å; F55-L319 HydrophobicContact CG-CD1 4.49Å; F55-L319 HydrophobicContact CZ-CD1 4.27Å; F55-L319 HydrophobicContact CZ-CD2 4.49Å; H116-L319 HydrophobicContact CB-CD1 4.3Å; H116-L319 HydrophobicContact CB-CD2 4.14Å; V145-L319 HydrophobicContact CG1-CD2 4.44Å; V316-L319 PolarHBondContact O-N 3.11Å; P317-L319 PolarHBondContact O-N 3.08Å; L319-F324 HydrophobicContact CD2-CE1 3.97Å; L319-L325 WeakPolarHBondContact O-CD2 3.25Å
320A95.8Very high95.9Very high47 Ų4750.4 Ų50.439%0.38826%0.262SS..G310 helixtrans-109.3-1.1175.200000112.9P57 P317 I318 K322P57-A320 HydrophobicContact CB-CB 3.78Å; P57-A320 HydrophobicContact CG-CB 3.81Å; P317-A320 CarbonylContact O-C 3.58Å; P317-A320 WeakPolarHBondContact O-CA 3.35Å; P317-A320 WeakPolarHBondContact O-CB 2.96Å; P317-A320 PolarHBondContact O-N 3.18Å; I318-A320 PolarHBondContact O-N 2.94Å; A320-K322 PolarHBondContact O-N 3.43Å
321D97.2Very high95.4Very high23 Ų2350.8 Ų50.812%0.12326%0.263CS..  trans-66.6124.3-178-168.1-53.8000110L310 S313 P317 I318 R323 F324 L325L310-D321 HydrophobicContact CD1-CB 4.4Å; S313-D321 WeakPolarHBondContact CB-OD2 3.35Å; S313-D321 PolarHBondContact OG-OD2 3Å; P317-D321 PolarHBondContact O-N 3.4Å; I318-D321 VanDerWaalsContact O-CB 3.31Å; I318-D321 WeakPolarHBondContact O-CB 3.07Å; I318-D321 PolarHBondContact O-N 3.22Å; D321-R323 PolarHBondContact O-N 3.05Å; D321-R323 VanDerWaalsContact O-N 3.16Å; D321-R323 VanDerWaalsContact OD1-CB 3.27Å; D321-R323 WeakPolarHBondContact OD1-CB 3.35Å; D321-R323 WeakPolarHBondContact OD1-CG 3.4Å; D321-R323 IonicContact OD1-CZ 3.32Å; D321-R323 PolarHBondContact OD1-N 2.98Å; D321-R323 IonicContact OD1-NE 2.71Å; D321-R323 PolarHBondContact OD1-NE 3.27Å; D321-R323 IonicContact OD1-NH2 2.68Å; D321-R323 IonicContact OD2-CZ 2.65Å; D321-R323 IonicContact OD2-NE 3.66Å; D321-R323 PolarHBondContact OD2-NE 3.11Å; D321-R323 IonicContact OD2-NH2 2.92Å; D321-R323 PolarHBondContact OD2-NH2 2.87Å; D321-F324 HydrophobicContact CB-CB 4.06Å; D321-F324 WeakPolarHBondContact O-CB 3.33Å; D321-F324 PolarHBondContact O-N 2.91Å; D321-L325 WeakPolarHBondContact O-CG 3.45Å; D321-L325 PolarHBondContact O-N 3.28Å
322K97.1Very high94.8Very high164 Ų16447.9 Ų47.971%0.71325%0.249SC*.Hα-helixtrans-56.7-35.7-177.3-69-177.6-180177.60112.4A320 L325 Q326A320-K322 PolarHBondContact O-N 3.43Å; K322-L325 PolarHBondContact O-N 2.79Å; K322-Q326 WeakPolarHBondContact O-CB 3.49Å; K322-Q326 WeakPolarHBondContact O-CG 3.1Å; K322-Q326 PolarHBondContact O-N 2.89Å
323R97.3Very high94Very high104 Ų10445.7 Ų45.739%0.39224%0.237SC..Hα-helixtrans-63.8-47.7178.3-60.1168.4-70.7-177.80109.8M308 L310 I311 D321 Q326 F327M308-R323 VanDerWaalsContact CE-C 3.44Å; M308-R323 HydrophobicContact CE-CB 4.12Å; M308-R323 VanDerWaalsContact CE-O 3.3Å; M308-R323 WeakPolarHBondContact CE-O 3.13Å; L310-R323 HydrophobicContact CD2-CB 3.76Å; L310-R323 HydrophobicContact CD2-CG 4.47Å; I311-R323 PolarHBondContact O-NH1 2.81Å; I311-R323 PolarHBondContact O-NH2 3.29Å; D321-R323 PolarHBondContact O-N 3.05Å; D321-R323 VanDerWaalsContact O-N 3.16Å; D321-R323 VanDerWaalsContact OD1-CB 3.27Å; D321-R323 WeakPolarHBondContact OD1-CB 3.35Å; D321-R323 WeakPolarHBondContact OD1-CG 3.4Å; D321-R323 IonicContact OD1-CZ 3.32Å; D321-R323 PolarHBondContact OD1-N 2.98Å; D321-R323 IonicContact OD1-NE 2.71Å; D321-R323 PolarHBondContact OD1-NE 3.27Å; D321-R323 IonicContact OD1-NH2 2.68Å; D321-R323 IonicContact OD2-CZ 2.65Å; D321-R323 IonicContact OD2-NE 3.66Å; D321-R323 PolarHBondContact OD2-NE 3.11Å; D321-R323 IonicContact OD2-NH2 2.92Å; D321-R323 PolarHBondContact OD2-NH2 2.87Å; R323-Q326 PolarHBondContact O-N 3.38Å; R323-F327 WeakPolarHBondContact O-CB 3.33Å; R323-F327 PolarHBondContact O-N 3.01Å
324F97.8Very high92.6Very high0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-62.2-48176.5176.9-116.1000112L58 L114 I143 V145 V252 M308 L310 I318 L319 D321 Q326 F327 V328L58-F324 HydrophobicContact CD2-CE1 4.36Å; L114-F324 HydrophobicContact CD1-CZ 3.93Å; I143-F324 HydrophobicContact CG2-CE2 4.47Å; V145-F324 HydrophobicContact CG1-CE2 4.34Å; V145-F324 HydrophobicContact CG1-CZ 4.23Å; V145-F324 HydrophobicContact CG2-CE2 3.71Å; V145-F324 HydrophobicContact CG2-CZ 3.54Å; V252-F324 HydrophobicContact CG1-CD2 3.85Å; V252-F324 HydrophobicContact CG1-CE2 4.08Å; V252-F324 HydrophobicContact CG2-CE2 4.26Å; M308-F324 HydrophobicContact CE-CB 4.42Å; M308-F324 HydrophobicContact SD-CD2 4.28Å; L310-F324 HydrophobicContact CD1-CB 3.93Å; I318-F324 VanDerWaalsContact O-CD1 3.26Å; I318-F324 WeakPolarHBondContact O-CD1 3.46Å; L319-F324 HydrophobicContact CD2-CE1 3.97Å; D321-F324 HydrophobicContact CB-CB 4.06Å; D321-F324 WeakPolarHBondContact O-CB 3.33Å; D321-F324 PolarHBondContact O-N 2.91Å; F324-Q326 VanDerWaalsContact C-N 3.33Å; F324-Q326 PolarHBondContact O-N 2.79Å; F324-F327 HydrophobicContact CD2-CD1 4.29Å; F324-F327 HydrophobicContact CE2-CD1 4.43Å; F324-F327 WeakPolarHBondContact O-CB 3.42Å; F324-F327 PolarHBondContact O-N 3.05Å; F324-V328 HydrophobicContact CD1-CG2 4.46Å; F324-V328 HydrophobicContact CD2-CG2 4.01Å; F324-V328 HydrophobicContact CE1-CG2 4.03Å; F324-V328 HydrophobicContact CE2-CG2 3.51Å; F324-V328 HydrophobicContact CG-CG2 4.46Å; F324-V328 HydrophobicContact CZ-CG2 3.53Å; F324-V328 WeakPolarHBondContact O-CG2 3.5Å; F324-V328 PolarHBondContact O-N 3.2Å
325L97.4Very high90.6Very high12 Ų1249.3 Ų49.36%0.06326%0.264CS..Hα-helixtrans-58.4-44179.3-67.7-179.7000112.4L58 F61 L319 D321 K322 V328 Q329L58-L325 HydrophobicContact CB-CD2 3.95Å; L58-L325 HydrophobicContact CD1-CD2 3.67Å; L58-L325 HydrophobicContact CG-CD2 4.44Å; F61-L325 HydrophobicContact CB-CD1 4.27Å; F61-L325 HydrophobicContact CB-CD2 4.12Å; F61-L325 HydrophobicContact CD1-CB 3.81Å; F61-L325 HydrophobicContact CD2-CB 4.2Å; F61-L325 HydrophobicContact CD2-CD1 4.04Å; F61-L325 HydrophobicContact CE1-CB 3.94Å; F61-L325 VanDerWaalsContact CE1-O 3.3Å; F61-L325 WeakPolarHBondContact CE1-O 3.14Å; F61-L325 HydrophobicContact CE2-CB 4.33Å; F61-L325 HydrophobicContact CG-CB 3.95Å; F61-L325 HydrophobicContact CG-CD1 4.16Å; F61-L325 HydrophobicContact CG-CD2 4.39Å; F61-L325 HydrophobicContact CG-CG 4.4Å; F61-L325 HydrophobicContact CZ-CB 4.21Å; L319-L325 WeakPolarHBondContact O-CD2 3.25Å; D321-L325 WeakPolarHBondContact O-CG 3.45Å; D321-L325 PolarHBondContact O-N 3.28Å; K322-L325 PolarHBondContact O-N 2.79Å; L325-V328 PolarHBondContact O-N 3.06Å; L325-Q329 WeakPolarHBondContact O-CB 3.28Å; L325-Q329 PolarHBondContact O-N 3.07Å
326Q95.8Very high88.3Confident106 Ų10653.8 Ų53.850%0.49529%0.292SS..Hα-helixtrans-64.1-44.2176-75171.4-17.300112F61 K322 R323 F324 Q329 N330F61-Q326 HydrophobicContact CZ-CG 4.34Å; K322-Q326 WeakPolarHBondContact O-CB 3.49Å; K322-Q326 WeakPolarHBondContact O-CG 3.1Å; K322-Q326 PolarHBondContact O-N 2.89Å; R323-Q326 PolarHBondContact O-N 3.38Å; F324-Q326 VanDerWaalsContact C-N 3.33Å; F324-Q326 PolarHBondContact O-N 2.79Å; Q326-Q329 PolarHBondContact O-N 3.31Å; Q326-N330 WeakPolarHBondContact O-CB 3.47Å; Q326-N330 VanDerWaalsContact O-CG 3.24Å; Q326-N330 PolarHBondContact O-N 3.18Å; Q326-N330 PolarHBondContact O-ND2 2.84Å
327F95.6Very high85.3Confident42 Ų4255.9 Ų55.918%0.18431%0.305CS..Hα-helixtrans-56.7-52.5174.7160-100.6000111.4I143 Y250 V252 M308 R323 F324 Q329 N330 H331I143-F327 HydrophobicContact CD1-CE1 4.19Å; I143-F327 HydrophobicContact CG2-CE1 4.28Å; Y250-F327 HydrophobicContact CD1-CE1 4.46Å; Y250-F327 AromaticContact CD1-CE2 3.66Å; Y250-F327 HydrophobicContact CD1-CE2 3.66Å; Y250-F327 AromaticContact CD1-CZ 3.31Å; Y250-F327 HydrophobicContact CD1-CZ 3.31Å; Y250-F327 HydrophobicContact CD2-CZ 4.26Å; Y250-F327 AromaticContact CE1-CE2 3.65Å; Y250-F327 HydrophobicContact CE1-CE2 3.65Å; Y250-F327 AromaticContact CE1-CZ 3.69Å; Y250-F327 HydrophobicContact CE1-CZ 3.69Å; Y250-F327 HydrophobicContact CG-CE2 4.42Å; Y250-F327 AromaticContact CG-CZ 3.64Å; Y250-F327 HydrophobicContact CG-CZ 3.64Å; V252-F327 HydrophobicContact CG2-CE1 4.29Å; M308-F327 HydrophobicContact CE-CB 3.59Å; M308-F327 HydrophobicContact CE-CG 4.15Å; M308-F327 HydrophobicContact SD-CB 3.61Å; M308-F327 HydrophobicContact SD-CD1 3.52Å; M308-F327 VanDerWaalsContact SD-CD1 3.52Å; M308-F327 HydrophobicContact SD-CD2 4.16Å; M308-F327 HydrophobicContact SD-CE1 4.28Å; M308-F327 HydrophobicContact SD-CG 3.46Å; M308-F327 WeakPolarHBondContact SD-CG 3.29Å; R323-F327 WeakPolarHBondContact O-CB 3.33Å; R323-F327 PolarHBondContact O-N 3.01Å; F324-F327 HydrophobicContact CD2-CD1 4.29Å; F324-F327 HydrophobicContact CE2-CD1 4.43Å; F324-F327 WeakPolarHBondContact O-CB 3.42Å; F324-F327 PolarHBondContact O-N 3.05Å; F327-Q329 PolarHBondContact O-N 2.96Å; F327-N330 PolarHBondContact O-N 2.87Å; F327-H331 HydrophobicContact CE2-CB 4.47Å; F327-H331 WeakPolarHBondContact O-CB 3.26Å; F327-H331 PolarHBondContact O-N 3.11Å
328V95.5Very high82.3Confident2 Ų257.5 Ų57.51%0.01232%0.318CS..Hα-helixtrans-59.4-49.6-178.9179.30000109.6L58 L62 L114 F324 L325 N330 H331 V332L58-V328 HydrophobicContact CD1-CB 4.2Å; L58-V328 HydrophobicContact CD1-CG1 4.05Å; L58-V328 HydrophobicContact CD1-CG2 4.37Å; L62-V328 HydrophobicContact CD2-CG1 4.24Å; L114-V328 HydrophobicContact CD1-CG1 4.36Å; L114-V328 HydrophobicContact CD1-CG2 4.15Å; F324-V328 HydrophobicContact CD1-CG2 4.46Å; F324-V328 HydrophobicContact CD2-CG2 4.01Å; F324-V328 HydrophobicContact CE1-CG2 4.03Å; F324-V328 HydrophobicContact CE2-CG2 3.51Å; F324-V328 HydrophobicContact CG-CG2 4.46Å; F324-V328 HydrophobicContact CZ-CG2 3.53Å; F324-V328 WeakPolarHBondContact O-CG2 3.5Å; F324-V328 PolarHBondContact O-N 3.2Å; L325-V328 PolarHBondContact O-N 3.06Å; V328-N330 PolarHBondContact O-N 3.12Å; V328-H331 PolarHBondContact O-N 3.16Å; V328-H331 VanDerWaalsContact O-N 3.14Å; V328-V332 HydrophobicContact CG1-CG1 3.89Å; V328-V332 WeakPolarHBondContact O-CG1 3.21Å; V328-V332 VanDerWaalsContact O-CG2 3.26Å; V328-V332 WeakPolarHBondContact O-CG2 3.43Å; V328-V332 PolarHBondContact O-N 2.83Å
329Q92.4Very high78.9Confident49 Ų4964 Ų6423%0.22935%0.353CS..Hα-helixtrans-55.6-48.6179.5177.5174.764.300112.5F61 L325 Q326 F327 H331 V332 T333F61-Q329 HydrophobicContact CD1-CB 4.14Å; F61-Q329 HydrophobicContact CE1-CB 3.67Å; F61-Q329 HydrophobicContact CE1-CG 4.21Å; F61-Q329 VanDerWaalsContact CE1-OE1 3.3Å; L325-Q329 WeakPolarHBondContact O-CB 3.28Å; L325-Q329 PolarHBondContact O-N 3.07Å; Q326-Q329 PolarHBondContact O-N 3.31Å; F327-Q329 PolarHBondContact O-N 2.96Å; Q329-H331 VanDerWaalsContact C-N 3.29Å; Q329-H331 PolarHBondContact O-N 2.64Å; Q329-V332 PolarHBondContact O-N 2.96Å; Q329-T333 HydrophobicContact CG-CG2 4.37Å; Q329-T333 WeakPolarHBondContact O-CB 3.36Å; Q329-T333 WeakPolarHBondContact O-CG2 3.44Å; Q329-T333 PolarHBondContact O-N 3.33Å; Q329-T333 VanDerWaalsContact O-N 3.11Å; Q329-T333 PolarHBondContact O-OG1 2.8Å
330N89.8Confident75.7Confident98 Ų9875.1 Ų75.152%0.52441%0.412SS..Hα-helixtrans-62.7-39.6179.6-69-15000111.3Q326 F327 V328 T334Q326-N330 WeakPolarHBondContact O-CB 3.47Å; Q326-N330 VanDerWaalsContact O-CG 3.24Å; Q326-N330 PolarHBondContact O-N 3.18Å; Q326-N330 PolarHBondContact O-ND2 2.84Å; F327-N330 PolarHBondContact O-N 2.87Å; V328-N330 PolarHBondContact O-N 3.12Å; N330-T334 WeakPolarHBondContact O-CB 3.28Å; N330-T334 VanDerWaalsContact O-CG2 3.27Å; N330-T334 WeakPolarHBondContact O-CG2 3.49Å; N330-T334 PolarHBondContact O-N 3.18Å; N330-T334 PolarHBondContact O-OG1 2.87Å
331H88.2Confident74.7Confident16 Ų1676.5 Ų76.57%0.07441%0.413CS..Hα-helixtrans-69.9-43.1-179.6-164.459.2000113.4K140 S141 E248 Y250 F327 V328 Q329 T334K140-H331 PolarHBondContact NZ-O 2.9Å; S141-H331 PolarHBondContact OG-NE2 2.88Å; E248-H331 IonicContact OE1-CE1 2.74Å; E248-H331 IonicContact OE2-CE1 3.69Å; E248-H331 PolarHBondContact OE2-CE1 2.79Å; E248-H331 IonicContact OE2-NE2 2.95Å; E248-H331 PolarHBondContact OE2-NE2 3.35Å; Y250-H331 AromaticContact CE2-CD2 3.87Å; Y250-H331 AromaticContact CE2-CE1 3.42Å; Y250-H331 VanDerWaalsContact CE2-CE1 3.42Å; Y250-H331 WeakPolarHBondContact CE2-CE1 3.13Å; Y250-H331 AromaticContact CE2-ND1 3.97Å; Y250-H331 AromaticContact CE2-NE2 3.33Å; Y250-H331 VanDerWaalsContact CE2-NE2 3.33Å; Y250-H331 WeakPolarHBondContact CE2-NE2 3.07Å; Y250-H331 AromaticContact CZ-CE1 3.41Å; Y250-H331 VanDerWaalsContact CZ-CE1 3.41Å; Y250-H331 AromaticContact CZ-ND1 3.67Å; Y250-H331 AromaticContact CZ-NE2 3.83Å; Y250-H331 PolarHBondContact OH-CE1 3.15Å; Y250-H331 PolarHBondContact OH-ND1 2.76Å; F327-H331 HydrophobicContact CE2-CB 4.47Å; F327-H331 WeakPolarHBondContact O-CB 3.26Å; F327-H331 PolarHBondContact O-N 3.11Å; V328-H331 PolarHBondContact O-N 3.16Å; V328-H331 VanDerWaalsContact O-N 3.14Å; Q329-H331 VanDerWaalsContact C-N 3.29Å; Q329-H331 PolarHBondContact O-N 2.64Å; H331-T334 PolarHBondContact O-OG1 3.18Å
332V84.7Confident73.5Confident26 Ų2679.3 Ų79.316%0.15843%0.429CS..Hα-helixtrans-80.1-20.3-175.8-57.60000113L62 F68 V112 V328 Q329L62-V332 HydrophobicContact CD2-CG2 3.69Å; F68-V332 HydrophobicContact CE1-CB 4.31Å; F68-V332 HydrophobicContact CE1-CG2 4.05Å; F68-V332 HydrophobicContact CE2-CB 4.49Å; F68-V332 HydrophobicContact CE2-CG2 3.56Å; F68-V332 HydrophobicContact CZ-CB 3.66Å; F68-V332 HydrophobicContact CZ-CG2 3.16Å; V112-V332 HydrophobicContact CB-CG1 4.27Å; V112-V332 HydrophobicContact CG1-CG1 4.26Å; V112-V332 HydrophobicContact CG2-CG1 4.09Å; V328-V332 HydrophobicContact CG1-CG1 3.89Å; V328-V332 WeakPolarHBondContact O-CG1 3.21Å; V328-V332 VanDerWaalsContact O-CG2 3.26Å; V328-V332 WeakPolarHBondContact O-CG2 3.43Å; V328-V332 PolarHBondContact O-N 2.83Å; Q329-V332 PolarHBondContact O-N 2.96Å
333T79.2Confident72.2Confident47 Ų4774.6 Ų74.629%0.28841%0.413SS..Hα-helixtrans-96.2-24.2-177.957.70000114.2N65 F68 Q329 S335N65-T333 WeakPolarHBondContact ND2-CG2 3.44Å; F68-T333 HydrophobicContact CE2-CG2 3.83Å; F68-T333 HydrophobicContact CZ-CG2 4.49Å; Q329-T333 HydrophobicContact CG-CG2 4.37Å; Q329-T333 WeakPolarHBondContact O-CB 3.36Å; Q329-T333 WeakPolarHBondContact O-CG2 3.44Å; Q329-T333 PolarHBondContact O-N 3.33Å; Q329-T333 VanDerWaalsContact O-N 3.11Å; Q329-T333 PolarHBondContact O-OG1 2.8Å; T333-S335 PolarHBondContact O-N 2.92Å; T333-S335 VanDerWaalsContact O-N 3.12Å
334T67.6Low70.7Confident81 Ų8172.9 Ų72.950%0.49741%0.414SS..  trans-69.2111.9175.542.30000109.4K140 N330 H331 T336K140-T334 PolarHBondContact NZ-O 2.98Å; N330-T334 WeakPolarHBondContact O-CB 3.28Å; N330-T334 VanDerWaalsContact O-CG2 3.27Å; N330-T334 WeakPolarHBondContact O-CG2 3.49Å; N330-T334 PolarHBondContact O-N 3.18Å; N330-T334 PolarHBondContact O-OG1 2.87Å; H331-T334 PolarHBondContact O-OG1 3.18Å; T334-T336 PolarHBondContact O-N 3.15Å
335S53.3Low69Low71 Ų7177.4 Ų77.450%0.49744%0.44SS..  trans-73.1114.6167.1-53.60000105.8T333 V337T333-S335 PolarHBondContact O-N 2.92Å; T333-S335 VanDerWaalsContact O-N 3.12Å; S335-V337 PolarHBondContact O-N 3.06Å
336T47.7Very low67.2Low107 Ų10781.8 Ų81.866%0.65647%0.465SS*.  trans-64.290.4156.6330000105.3T334 S338T334-T336 PolarHBondContact O-N 3.15Å; T336-S338 PolarHBondContact O-N 3.47Å
337V31.3Very low65.1Low107 Ų10780.1 Ų80.165%0.64846%0.463SS*.  trans-63.994.6162.5-178.60000103.8S335 N339S335-V337 PolarHBondContact O-N 3.06Å; V337-N339 WeakPolarHBondContact CG1-OD1 3.28Å; V337-N339 PolarHBondContact O-N 3.41Å
338S30.5Very low62.8Low104 Ų10483 Ų8373%0.72748%0.484SS*.  trans-62.392.6159.845.40000105.5T336 N340T336-S338 PolarHBondContact O-N 3.47Å; S338-N340 VanDerWaalsContact C-N 3.28Å; S338-N340 PolarHBondContact O-N 2.98Å
339N25.4Very low60Low137 Ų13789.8 Ų89.873%0.73352%0.524SS*.  trans-61.599.9156.2-75.5-19.5000105.6V337V337-N339 WeakPolarHBondContact CG1-OD1 3.28Å; V337-N339 PolarHBondContact O-N 3.41Å
340N30.3Very low57.1Low234 Ų23493.5 Ų93.5100%1.25155%0.55SS**  trans-159.40154.1-91.3-17000108.5S338S338-N340 VanDerWaalsContact C-N 3.28Å; S338-N340 PolarHBondContact O-N 2.98Å

Retrieved 340 of 340 residues in 108.2 ms (Link to these results)

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