A0A096MYR6_PAPAN Loading...

Replication protein A 14 kDa subunit

AlphaFold DB (A0A2K6E6W6), UniProt , Accession A0A096MYR6, Species PAPAN (Papio anubis, Olive baboon), Gene RPA3, Length 121 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
1M53.7Low83.2Confident243 Ų24389.5 Ų89.5100%1.19745%0.447SS*.  0118.40-161.6176.5-77.400104.6
2V61.2Low84.5Confident93 Ų9382.1 Ų82.156%0.56441%0.41SS*.  trans-67.3135.5-178.4-177.80000107.8M4 L7V2-M4 PolarHBondContact O-N 3.32Å; V2-L7 HydrophobicContact CG1-CD1 4.35Å; V2-L7 HydrophobicContact CG1-CD2 3.96Å; V2-L7 HydrophobicContact CG1-CG 4.02Å
3D78.9Confident85.6Confident84 Ų8476.5 Ų76.545%0.44938%0.383SS..  trans-63.9126.6176.9-174.4-12.6000109M5 E6D3-M5 PolarHBondContact O-N 3.12Å; D3-M5 VanDerWaalsContact O-N 3.14Å; D3-M5 WeakPolarHBondContact OD1-CB 3.42Å; D3-M5 PolarHBondContact OD1-N 2.82Å; D3-E6 HydrophobicContact CB-CG 4.08Å; D3-E6 WeakPolarHBondContact O-CB 2.99Å; D3-E6 PolarHBondContact O-N 3.5Å
4M79.5Confident86.5Confident28 Ų2872.9 Ų72.914%0.13837%0.367CS..G310 helixtrans-60-22.9178-77.3-168.962.400112.8V2 E6 L7 P24 V70 G71 K72 T82V2-M4 PolarHBondContact O-N 3.32Å; M4-E6 VanDerWaalsContact C-N 3.26Å; M4-E6 PolarHBondContact O-N 3.35Å; M4-L7 PolarHBondContact O-N 2.92Å; M4-P24 HydrophobicContact CE-CB 3.79Å; M4-V70 HydrophobicContact CE-CG1 4.38Å; M4-G71 VanDerWaalsContact CE-CA 3.49Å; M4-G71 WeakPolarHBondContact CE-O 3.1Å; M4-K72 HydrophobicContact CE-CB 4.18Å; M4-K72 HydrophobicContact SD-CB 4.16Å; M4-T82 PolarHBondContact SD-OG1 3.37Å
5M79.1Confident87.3Confident103 Ų10371.1 Ų71.151%0.50737%0.374SS..G310 helixtrans-68.7-24.3174.2-67.3-66.4-124.900113.1D3 R9D3-M5 PolarHBondContact O-N 3.12Å; D3-M5 VanDerWaalsContact O-N 3.14Å; D3-M5 WeakPolarHBondContact OD1-CB 3.42Å; D3-M5 PolarHBondContact OD1-N 2.82Å; M5-R9 PolarHBondContact O-NH2 3.34Å; M5-R9 PolarHBondContact SD-NH1 2.97Å
6E85.5Confident88Confident150 Ų15068.4 Ų68.470%0.70136%0.359SS*.G310 helixtrans-86.3-11.9177.6-62.8-177.715600112.6D3 M4D3-E6 HydrophobicContact CB-CG 4.08Å; D3-E6 WeakPolarHBondContact O-CB 2.99Å; D3-E6 PolarHBondContact O-N 3.5Å; M4-E6 VanDerWaalsContact C-N 3.26Å; M4-E6 PolarHBondContact O-N 3.35Å
7L89.3Confident88.7Confident66 Ų6664.8 Ų64.835%0.34634%0.34SS..SBendtrans-94145.6179.7-62.5176000111.7V2 M4 R9 P24V2-L7 HydrophobicContact CG1-CD1 4.35Å; V2-L7 HydrophobicContact CG1-CD2 3.96Å; V2-L7 HydrophobicContact CG1-CG 4.02Å; M4-L7 PolarHBondContact O-N 2.92Å; L7-R9 PolarHBondContact O-N 3.23Å; L7-R9 PolarHBondContact O-NE 3.43Å; L7-P24 HydrophobicContact CB-CG 4.31Å; L7-P24 HydrophobicContact CD1-CG 4.45Å
8P94.6Very high89.2Confident58 Ų5865.4 Ų65.438%0.37736%0.356SS..  trans-57.4134.5163.6-21.933.3000110.3P24 L115 G116P8-P24 WeakPolarHBondContact O-CG 3.33Å; P8-L115 HydrophobicContact CB-CD1 3.61Å; P8-L115 HydrophobicContact CB-CG 3.7Å; P8-G116 VanDerWaalsContact CG-CA 3.45Å
9R96.8Very high89.7Confident83 Ų8369.2 Ų69.231%0.31337%0.371SS..  trans-120119.7-179.2-72.2146.3-76.3178.5-4109.1M5 L7 R11 P24 C26 V70M5-R9 PolarHBondContact O-NH2 3.34Å; M5-R9 PolarHBondContact SD-NH1 2.97Å; L7-R9 PolarHBondContact O-N 3.23Å; L7-R9 PolarHBondContact O-NE 3.43Å; R9-R11 PolarHBondContact O-N 2.65Å; R9-P24 HydrophobicContact CG-CB 4.05Å; R9-C26 HydrophobicContact CB-CB 4.28Å; R9-V70 VanDerWaalsContact CD-CG1 3.42Å; R9-V70 HydrophobicContact CG-CG1 4.17Å
10S98.1Very high90.1Very high13 Ų1366.8 Ų66.89%0.09136%0.357CS..EExtended strand (participates in β ladder)trans-73.9128.2179.7-56.90000110.6I12 F20 P24 V25 C26 L115S10-I12 PolarHBondContact O-N 2.95Å; S10-F20 VanDerWaalsContact CB-CE1 3.41Å; S10-F20 WeakPolarHBondContact OG-CE1 2.85Å; S10-P24 PolarHBondContact N-O 2.87Å; S10-V25 CarbonylContact O-C 3.59Å; S10-V25 WeakPolarHBondContact O-CA 3.11Å; S10-C26 PolarHBondContact O-N 2.86Å; S10-L115 WeakPolarHBondContact OG-CD2 2.96Å
11R98.8Very high90.5Very high63 Ų6366.4 Ų66.424%0.23836%0.355CS..EExtended strand (participates in β ladder)trans-70.4123.8167.2-70.9-175.3175.4-75.5-7.7108.8R9 C26 E68 Y99 V103 I106 H107R9-R11 PolarHBondContact O-N 2.65Å; R11-C26 VanDerWaalsContact CA-O 3.28Å; R11-C26 WeakPolarHBondContact CA-O 3.3Å; R11-C26 HydrophobicContact CG-CB 4.11Å; R11-E68 IonicContact CZ-OE1 3.27Å; R11-E68 VanDerWaalsContact CZ-OE1 3.27Å; R11-E68 IonicContact NH1-OE1 2.74Å; R11-E68 PolarHBondContact NH1-OE1 2.96Å; R11-E68 IonicContact NH2-OE1 2.84Å; R11-E68 PolarHBondContact NH2-OE1 3.27Å; R11-Y99 PolarHBondContact NH1-OH 2.82Å; R11-V103 HydrophobicContact CB-CG2 4.38Å; R11-I106 HydrophobicContact CB-CD1 4.36Å; R11-H107 PolarHBondContact O-NE2 3.23Å
12I98.8Very high92.6Very high1 Ų159.8 Ų59.81%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-136163.3-176.361.9158000111.6S10 M16 L17 F20 V25 C26 F27 V73S10-I12 PolarHBondContact O-N 2.95Å; I12-M16 HydrophobicContact CB-CB 4.05Å; I12-M16 HydrophobicContact CB-SD 4.18Å; I12-M16 HydrophobicContact CG2-CB 4.27Å; I12-M16 HydrophobicContact CG2-SD 4.31Å; I12-L17 HydrophobicContact CD1-CD2 3.7Å; I12-L17 HydrophobicContact CD1-CG 4.28Å; I12-F20 HydrophobicContact CD1-CB 4.45Å; I12-F20 HydrophobicContact CG2-CD1 4.05Å; I12-F20 HydrophobicContact CG2-CD2 3.76Å; I12-F20 HydrophobicContact CG2-CE1 4.06Å; I12-F20 HydrophobicContact CG2-CE2 3.75Å; I12-F20 HydrophobicContact CG2-CG 3.93Å; I12-F20 HydrophobicContact CG2-CZ 3.92Å; I12-V25 HydrophobicContact CD1-CB 3.94Å; I12-V25 HydrophobicContact CD1-CG1 3.74Å; I12-V25 HydrophobicContact CD1-CG2 4.15Å; I12-V25 HydrophobicContact CG1-CB 3.99Å; I12-V25 HydrophobicContact CG1-CG1 4.11Å; I12-V25 HydrophobicContact CG2-CG1 4.35Å; I12-C26 PolarHBondContact N-O 3.22Å; I12-C26 VanDerWaalsContact N-O 3.13Å; I12-F27 HydrophobicContact CG1-CD2 4.33Å; I12-V73 HydrophobicContact CD1-CG2 4.41Å
13N98.8Very high94.3Very high10 Ų1060 Ų605%0.05332%0.317CS..  trans-110.7-179.9165.570.118.6000110.8G15 M16 D45 N100N13-G15 VanDerWaalsContact C-N 3.3Å; N13-G15 PolarHBondContact O-N 2.88Å; N13-G15 PolarHBondContact OD1-N 3.34Å; N13-M16 PolarHBondContact O-N 2.94Å; N13-M16 VanDerWaalsContact O-N 3.15Å; N13-M16 WeakPolarHBondContact OD1-CG 3.3Å; N13-M16 PolarHBondContact OD1-N 2.67Å; N13-D45 HydrophobicContact CB-CB 4.27Å; N13-D45 WeakPolarHBondContact CB-OD2 3.47Å; N13-N100 WeakPolarHBondContact CB-OD1 3.15Å; N13-N100 PolarHBondContact ND2-OD1 3.45Å
14V98.6Very high95.2Very high26 Ų2657.5 Ų57.516%0.15831%0.306CS..G310 helixtrans-64.7-37.2-174174.30000111.6M16 L17 F27 D45 K49 N50V14-M16 PolarHBondContact O-N 2.57Å; V14-L17 HydrophobicContact CB-CD1 4.29Å; V14-L17 HydrophobicContact CG1-CD1 3.99Å; V14-L17 HydrophobicContact CG2-CD1 4.45Å; V14-L17 PolarHBondContact O-N 3.16Å; V14-L17 VanDerWaalsContact O-N 3.15Å; V14-F27 HydrophobicContact CG2-CE2 3.6Å; V14-F27 HydrophobicContact CG2-CZ 3.58Å; V14-D45 VanDerWaalsContact CB-OD2 3.24Å; V14-D45 WeakPolarHBondContact CB-OD2 3.49Å; V14-D45 HydrophobicContact CG2-CB 4.08Å; V14-D45 WeakPolarHBondContact CG2-OD2 3.28Å; V14-D45 PolarHBondContact N-OD2 2.86Å; V14-K49 HydrophobicContact CB-CB 3.81Å; V14-K49 HydrophobicContact CG1-CB 3.95Å; V14-K49 HydrophobicContact CG2-CB 4.18Å; V14-K49 VanDerWaalsContact CG2-O 3.32Å; V14-K49 WeakPolarHBondContact CG2-O 3.49Å; V14-N50 WeakPolarHBondContact CG1-O 3.32Å
15G98.4Very high96.1Very high46 Ų4656.2 Ų56.247%0.47430%0.299SS..G310 helixtrans-59.8-20.3178.500000113.8N13N13-G15 VanDerWaalsContact C-N 3.3Å; N13-G15 PolarHBondContact O-N 2.88Å; N13-G15 PolarHBondContact OD1-N 3.34Å
16M98.6Very high97Very high27 Ų2751.7 Ų51.713%0.13328%0.277CS..G310 helixtrans-94.4-14.5-178.5-65.6168.8-179.500113.4I12 N13 V14 A18 Q19 F20 V103 H107I12-M16 HydrophobicContact CB-CB 4.05Å; I12-M16 HydrophobicContact CB-SD 4.18Å; I12-M16 HydrophobicContact CG2-CB 4.27Å; I12-M16 HydrophobicContact CG2-SD 4.31Å; N13-M16 PolarHBondContact O-N 2.94Å; N13-M16 VanDerWaalsContact O-N 3.15Å; N13-M16 WeakPolarHBondContact OD1-CG 3.3Å; N13-M16 PolarHBondContact OD1-N 2.67Å; V14-M16 PolarHBondContact O-N 2.57Å; M16-A18 VanDerWaalsContact C-N 3.29Å; M16-A18 PolarHBondContact O-N 3.37Å; M16-A18 VanDerWaalsContact O-N 3.1Å; M16-Q19 WeakPolarHBondContact O-CB 3.27Å; M16-Q19 PolarHBondContact O-N 2.82Å; M16-F20 HydrophobicContact CB-CD2 4.01Å; M16-F20 HydrophobicContact CB-CE2 4.1Å; M16-F20 WeakPolarHBondContact O-CD2 3.37Å; M16-F20 PolarHBondContact O-N 3.47Å; M16-V103 HydrophobicContact CE-CG1 4.28Å; M16-V103 HydrophobicContact SD-CG1 4.15Å; M16-H107 HydrophobicContact CE-CB 4.36Å; M16-H107 VanDerWaalsContact SD-CD2 3.57Å
17L98.6Very high97.6Very high8 Ų844.5 Ų44.54%0.04224%0.244CC..G310 helixtrans-50.6-45-172.1-74.4164.2000113.5I12 V14 Q19 F20 I21 V73 A77 I79I12-L17 HydrophobicContact CD1-CD2 3.7Å; I12-L17 HydrophobicContact CD1-CG 4.28Å; V14-L17 HydrophobicContact CB-CD1 4.29Å; V14-L17 HydrophobicContact CG1-CD1 3.99Å; V14-L17 HydrophobicContact CG2-CD1 4.45Å; V14-L17 PolarHBondContact O-N 3.16Å; V14-L17 VanDerWaalsContact O-N 3.15Å; L17-Q19 PolarHBondContact O-N 2.85Å; L17-F20 PolarHBondContact O-N 2.96Å; L17-I21 PolarHBondContact O-N 3.34Å; L17-V73 HydrophobicContact CD2-CG1 4.17Å; L17-V73 HydrophobicContact CD2-CG2 4.21Å; L17-A77 HydrophobicContact CB-CB 4.11Å; L17-A77 WeakPolarHBondContact CD1-O 3.44Å; L17-I79 HydrophobicContact CD2-CD1 3.86Å; L17-I79 HydrophobicContact CD2-CG1 3.73Å
18A98.2Very high98.1Very high75 Ų7541.5 Ų41.562%0.6223%0.228SC*.G310 helixtrans-62.9-24.2179.500000114.2M16 I21M16-A18 VanDerWaalsContact C-N 3.29Å; M16-A18 PolarHBondContact O-N 3.37Å; M16-A18 VanDerWaalsContact O-N 3.1Å; A18-I21 VanDerWaalsContact O-CG1 3.3Å; A18-I21 WeakPolarHBondContact O-CG1 3.2Å
19Q98.3Very high98.3Very high138 Ų13838.8 Ų38.865%0.64521%0.211SC*.G310 helixtrans-86.8-14.4178-56.4173.910.900112.3M16 L17 K23M16-Q19 WeakPolarHBondContact O-CB 3.27Å; M16-Q19 PolarHBondContact O-N 2.82Å; L17-Q19 PolarHBondContact O-N 2.85Å; Q19-K23 PolarHBondContact O-NZ 3.28Å
20F98.4Very high98.4Very high21 Ų2139.1 Ų39.19%0.09221%0.212CC..SBendtrans-110.513.7-176.5-75.7-93.7000113.3S10 I12 M16 L17 D22 K23 V25 V73 H107S10-F20 VanDerWaalsContact CB-CE1 3.41Å; S10-F20 WeakPolarHBondContact OG-CE1 2.85Å; I12-F20 HydrophobicContact CD1-CB 4.45Å; I12-F20 HydrophobicContact CG2-CD1 4.05Å; I12-F20 HydrophobicContact CG2-CD2 3.76Å; I12-F20 HydrophobicContact CG2-CE1 4.06Å; I12-F20 HydrophobicContact CG2-CE2 3.75Å; I12-F20 HydrophobicContact CG2-CG 3.93Å; I12-F20 HydrophobicContact CG2-CZ 3.92Å; M16-F20 HydrophobicContact CB-CD2 4.01Å; M16-F20 HydrophobicContact CB-CE2 4.1Å; M16-F20 WeakPolarHBondContact O-CD2 3.37Å; M16-F20 PolarHBondContact O-N 3.47Å; L17-F20 PolarHBondContact O-N 2.96Å; F20-D22 PolarHBondContact O-N 3.14Å; F20-K23 HydrophobicContact CB-CB 4.45Å; F20-K23 HydrophobicContact CD1-CB 4.25Å; F20-K23 HydrophobicContact CD1-CD 3.89Å; F20-K23 HydrophobicContact CE1-CD 4.44Å; F20-K23 VanDerWaalsContact O-CB 3.25Å; F20-K23 WeakPolarHBondContact O-CB 3.4Å; F20-K23 PolarHBondContact O-N 2.83Å; F20-V25 HydrophobicContact CB-CG1 3.88Å; F20-V25 HydrophobicContact CD1-CG1 3.98Å; F20-V25 HydrophobicContact CG-CG1 4.17Å; F20-V73 HydrophobicContact CB-CG2 3.91Å; F20-V73 VanDerWaalsContact O-CB 3.22Å; F20-V73 WeakPolarHBondContact O-CB 3.45Å; F20-V73 VanDerWaalsContact O-CG2 3.32Å; F20-V73 WeakPolarHBondContact O-CG2 2.98Å; F20-H107 AromaticContact CZ-CE1 3.47Å; F20-H107 VanDerWaalsContact CZ-CE1 3.47Å; F20-H107 WeakPolarHBondContact CZ-CE1 3.43Å
21I98.5Very high98.4Very high59 Ų5939.9 Ų39.930%0.30322%0.215SC..THydrogen-bonded Turntrans-48.6133173.4-56.9-69.5000110.2L17 A18 K23 V73 T74 T75 A77L17-I21 PolarHBondContact O-N 3.34Å; A18-I21 VanDerWaalsContact O-CG1 3.3Å; A18-I21 WeakPolarHBondContact O-CG1 3.2Å; I21-K23 PolarHBondContact O-N 3.14Å; I21-V73 HydrophobicContact CD1-CG1 3.95Å; I21-T74 WeakPolarHBondContact CD1-O 3.28Å; I21-T75 HydrophobicContact CG2-CG2 4.5Å; I21-A77 HydrophobicContact CD1-CB 4.04Å
22D97.3Very high98.4Very high103 Ų10341.9 Ų41.955%0.55123%0.227SC*.THydrogen-bonded Turntrans63.212.4-177.7-148.559.1000115.3F20 K72 V73F20-D22 PolarHBondContact O-N 3.14Å; D22-K72 WeakPolarHBondContact O-CE 3.3Å; D22-K72 WeakPolarHBondContact OD1-CE 3.44Å; D22-K72 IonicContact OD1-NZ 2.65Å; D22-K72 PolarHBondContact OD1-NZ 2.96Å; D22-K72 IonicContact OD2-NZ 2.95Å; D22-K72 PolarHBondContact OD2-NZ 2.74Å; D22-V73 WeakPolarHBondContact CA-O 3.22Å; D22-V73 PolarHBondContact N-O 3.25Å
23K97.1Very high98.4Very high99 Ų9948.1 Ų48.143%0.4325%0.254SS..SBendtrans-105149.1177.2-57.9-176.3-173.91650112.2Q19 F20 I21 K72 V73Q19-K23 PolarHBondContact O-NZ 3.28Å; F20-K23 HydrophobicContact CB-CB 4.45Å; F20-K23 HydrophobicContact CD1-CB 4.25Å; F20-K23 HydrophobicContact CD1-CD 3.89Å; F20-K23 HydrophobicContact CE1-CD 4.44Å; F20-K23 VanDerWaalsContact O-CB 3.25Å; F20-K23 WeakPolarHBondContact O-CB 3.4Å; F20-K23 PolarHBondContact O-N 2.83Å; I21-K23 PolarHBondContact O-N 3.14Å; K23-K72 WeakPolarHBondContact O-CA 3.28Å; K23-V73 PolarHBondContact O-N 2.85Å; K23-V73 VanDerWaalsContact O-N 3.1Å
24P97.5Very high98.4Very high31 Ų3150.8 Ų50.820%0.20127%0.268CS..EExtended strand (participates in β ladder)trans-70.2132.3169.330-34.5000110.7M4 L7 P8 R9 S10M4-P24 HydrophobicContact CE-CB 3.79Å; L7-P24 HydrophobicContact CB-CG 4.31Å; L7-P24 HydrophobicContact CD1-CG 4.45Å; P8-P24 WeakPolarHBondContact O-CG 3.33Å; R9-P24 HydrophobicContact CG-CB 4.05Å; S10-P24 PolarHBondContact N-O 2.87Å
25V98.4Very high98.3Very high0 Ų053.2 Ų53.20%028%0.277CS..EExtended strand (participates in β ladder)trans-135.5159.7-175.8-65.30000111.9S10 I12 F20 V70 G71 V73 I79S10-V25 CarbonylContact O-C 3.59Å; S10-V25 WeakPolarHBondContact O-CA 3.11Å; I12-V25 HydrophobicContact CD1-CB 3.94Å; I12-V25 HydrophobicContact CD1-CG1 3.74Å; I12-V25 HydrophobicContact CD1-CG2 4.15Å; I12-V25 HydrophobicContact CG1-CB 3.99Å; I12-V25 HydrophobicContact CG1-CG1 4.11Å; I12-V25 HydrophobicContact CG2-CG1 4.35Å; F20-V25 HydrophobicContact CB-CG1 3.88Å; F20-V25 HydrophobicContact CD1-CG1 3.98Å; F20-V25 HydrophobicContact CG-CG1 4.17Å; V25-V70 WeakPolarHBondContact O-CA 3.2Å; V25-G71 WeakPolarHBondContact CG2-O 3.35Å; V25-G71 PolarHBondContact N-O 3.45Å; V25-G71 PolarHBondContact O-N 3.48Å; V25-G71 VanDerWaalsContact O-N 3.14Å; V25-V73 HydrophobicContact CB-CG2 4.28Å; V25-V73 HydrophobicContact CG1-CG2 3.64Å; V25-V73 HydrophobicContact CG2-CG2 3.61Å; V25-I79 HydrophobicContact CG2-CD1 4.12Å; V25-I79 HydrophobicContact CG2-CG1 4.13Å; V25-I79 HydrophobicContact CG2-CG2 4.3Å
26C98.6Very high98.3Very high8 Ų856.9 Ų56.95%0.05429%0.292CS..EExtended strand (participates in β ladder)trans-120.2115.3168.9-1760000107.6R9 S10 R11 I12 E68 V69R9-C26 HydrophobicContact CB-CB 4.28Å; S10-C26 PolarHBondContact O-N 2.86Å; R11-C26 VanDerWaalsContact CA-O 3.28Å; R11-C26 WeakPolarHBondContact CA-O 3.3Å; R11-C26 HydrophobicContact CG-CB 4.11Å; I12-C26 PolarHBondContact N-O 3.22Å; I12-C26 VanDerWaalsContact N-O 3.13Å; C26-E68 VanDerWaalsContact SG-CD 3.51Å; C26-E68 VanDerWaalsContact SG-CG 3.53Å; C26-E68 PolarHBondContact SG-OE1 2.91Å; C26-E68 VanDerWaalsContact SG-OE1 3.33Å; C26-V69 CarbonylContact C-O 3.6Å; C26-V69 WeakPolarHBondContact CA-O 3.33Å
27F98.8Very high98.2Very high0 Ų059.2 Ų59.20%031%0.308CS..EExtended strand (participates in β ladder)trans-116.4124.9-177.4-176.8-83.8000109.2I12 V14 L43 D45 I53 V69 I79I12-F27 HydrophobicContact CG1-CD2 4.33Å; V14-F27 HydrophobicContact CG2-CE2 3.6Å; V14-F27 HydrophobicContact CG2-CZ 3.58Å; F27-L43 HydrophobicContact CD1-CB 4.3Å; F27-L43 HydrophobicContact CD1-CD1 3.82Å; F27-L43 HydrophobicContact CE1-CB 3.6Å; F27-L43 HydrophobicContact CE1-CD1 3.97Å; F27-L43 HydrophobicContact CE1-CG 4.42Å; F27-D45 HydrophobicContact CE2-CB 4.44Å; F27-D45 HydrophobicContact CZ-CB 4.04Å; F27-I53 HydrophobicContact CD1-CD1 4.4Å; F27-V69 PolarHBondContact N-O 3.42Å; F27-V69 PolarHBondContact O-N 3.1Å; F27-I79 HydrophobicContact CB-CD1 3.43Å; F27-I79 VanDerWaalsContact CB-CD1 3.43Å; F27-I79 HydrophobicContact CD1-CD1 4.48Å; F27-I79 HydrophobicContact CD2-CD1 3.95Å; F27-I79 HydrophobicContact CG-CD1 3.7Å
28V98.9Very high98.1Very high3 Ų359.4 Ų59.42%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-112.6130.2175.6179.90000108.2I66 M67 E68 F87 F94 L96 Y99V28-I66 HydrophobicContact CG1-CG2 3.71Å; V28-M67 VanDerWaalsContact CA-O 3.28Å; V28-M67 WeakPolarHBondContact CA-O 3.08Å; V28-E68 HydrophobicContact CG2-CB 3.95Å; V28-E68 HydrophobicContact CG2-CG 3.82Å; V28-F87 HydrophobicContact CG1-CE2 4.11Å; V28-F87 HydrophobicContact CG1-CZ 4.49Å; V28-F87 HydrophobicContact CG2-CZ 4.38Å; V28-F94 HydrophobicContact CG1-CE1 4.27Å; V28-L96 HydrophobicContact CG1-CD1 4Å; V28-Y99 HydrophobicContact CB-CD1 4.15Å; V28-Y99 HydrophobicContact CB-CE1 3.52Å; V28-Y99 HydrophobicContact CB-CE2 4.42Å; V28-Y99 HydrophobicContact CG1-CD1 4.42Å; V28-Y99 HydrophobicContact CG1-CE1 4.26Å; V28-Y99 HydrophobicContact CG2-CE1 3.97Å; V28-Y99 HydrophobicContact CG2-CE2 4.13Å; V28-Y99 VanDerWaalsContact CG2-OH 3.3Å; V28-Y99 WeakPolarHBondContact CG2-OH 3.45Å
29G98.8Very high98.1Very high0 Ų060.5 Ų60.50%030%0.303CS..EExtended strand (participates in β ladder)trans-162169.3179.500000112.9S44 M67G29-S44 CarbonylContact C-O 3.37Å; G29-S44 WeakPolarHBondContact CA-O 3.49Å; G29-M67 PolarHBondContact N-O 2.87Å; G29-M67 PolarHBondContact O-N 3.32Å
30R98.8Very high98.1Very high90 Ų9056.3 Ų56.334%0.3428%0.284SS..EExtended strand (participates in β ladder)trans-87.3134.1176.1-174169.3-67.9-72.7-1.8110.1E32 L43 S44 G65 I66 E89 L96R30-E32 PolarHBondContact O-N 3.33Å; R30-L43 CarbonylContact O-C 3.47Å; R30-L43 WeakPolarHBondContact O-CA 3.22Å; R30-S44 PolarHBondContact N-O 2.79Å; R30-S44 PolarHBondContact O-N 2.85Å; R30-S44 PolarHBondContact O-OG 2.95Å; R30-G65 WeakPolarHBondContact CA-O 3.44Å; R30-I66 HydrophobicContact CB-CD1 3.57Å; R30-I66 HydrophobicContact CG-CD1 4.07Å; R30-E89 IonicContact NH1-OE2 2.76Å; R30-E89 PolarHBondContact NH1-OE2 3.32Å; R30-E89 IonicContact NH2-OE1 2.88Å; R30-E89 PolarHBondContact NH2-OE1 3.24Å; R30-E89 IonicContact NH2-OE2 3.92Å; R30-L96 HydrophobicContact CB-CD2 4.27Å
31L98.7Very high98.1Very high30 Ų3055.3 Ų55.316%0.15728%0.28CS..EExtended strand (participates in β ladder)trans-65.5123.1175.5-174.972.8000111.4I34 F41 L43 I63 G65L31-I34 HydrophobicContact CD1-CG1 4.17Å; L31-I34 HydrophobicContact CD2-CD1 4.04Å; L31-I34 HydrophobicContact CD2-CG1 4.03Å; L31-I34 HydrophobicContact CG-CG1 4.5Å; L31-F41 HydrophobicContact CD1-CB 3.86Å; L31-F41 HydrophobicContact CD1-CD2 3.68Å; L31-F41 HydrophobicContact CD1-CG 4.07Å; L31-L43 HydrophobicContact CB-CD2 4.07Å; L31-L43 HydrophobicContact CD1-CD2 3.92Å; L31-I63 HydrophobicContact CD1-CD1 3.94Å; L31-I63 HydrophobicContact CD1-CG1 4.49Å; L31-I63 HydrophobicContact CD2-CB 4.42Å; L31-I63 HydrophobicContact CD2-CD1 4.14Å; L31-I63 HydrophobicContact CD2-CG1 3.78Å; L31-I63 WeakPolarHBondContact CD2-O 3.42Å; L31-G65 PolarHBondContact N-O 2.8Å
32E98.6Very high98.1Very high104 Ų10454.3 Ų54.349%0.48627%0.274SS..EExtended strand (participates in β ladder)trans-104.9-42.7178.9-66-60.7152.100112.2R30 I42 S44R30-E32 PolarHBondContact O-N 3.33Å; E32-I42 HydrophobicContact CB-CB 4.36Å; E32-I42 HydrophobicContact CB-CG2 4.18Å; E32-I42 PolarHBondContact N-O 3.32Å; E32-S44 VanDerWaalsContact OE1-CB 3.32Å; E32-S44 WeakPolarHBondContact OE1-CB 2.99Å; E32-S44 PolarHBondContact OE1-OG 3Å
33K98.2Very high98.2Very high133 Ų13349.4 Ų49.458%0.57825%0.248SC*.EExtended strand (participates in β ladder)trans-155.8140.8-174.1-171.5173.9-177.9177.60111.8F41 I42K33-F41 CarbonylContact O-C 3.47Å; K33-F41 WeakPolarHBondContact O-CA 3.27Å; K33-F41 VanDerWaalsContact O-CB 3.28Å; K33-F41 WeakPolarHBondContact O-CB 3.5Å; K33-I42 HydrophobicContact CB-CB 4.33Å; K33-I42 HydrophobicContact CB-CD1 4.31Å; K33-I42 HydrophobicContact CB-CG1 4.47Å; K33-I42 PolarHBondContact O-N 2.95Å
34I98.4Very high98.3Very high66 Ų6645.1 Ų45.134%0.33823%0.231SC..EExtended strand (participates in β ladder)trans-106.5135168.6-54.3176.4000108.6L31 F41 L59 I63L31-I34 HydrophobicContact CD1-CG1 4.17Å; L31-I34 HydrophobicContact CD2-CD1 4.04Å; L31-I34 HydrophobicContact CD2-CG1 4.03Å; L31-I34 HydrophobicContact CG-CG1 4.5Å; I34-F41 HydrophobicContact CG1-CB 4.32Å; I34-L59 HydrophobicContact CD1-CD1 4.2Å; I34-L59 HydrophobicContact CG2-CD1 3.81Å; I34-I63 HydrophobicContact CD1-CD1 4.42Å; I34-I63 HydrophobicContact CD1-CG1 3.79Å; I34-I63 HydrophobicContact CG1-CG1 4.47Å
35H98.1Very high98.4Very high76 Ų7643.8 Ų43.835%0.35222%0.222SC..  trans-72.3144.2174.1-171.3-97.6000110.4T37 G38 M40H35-T37 PolarHBondContact ND1-N 3.38Å; H35-T37 PolarHBondContact ND1-OG1 3.35Å; H35-T37 PolarHBondContact O-N 2.85Å; H35-G38 PolarHBondContact O-N 3.06Å; H35-M40 HydrophobicContact CB-CB 3.88Å; H35-M40 HydrophobicContact CB-CE 3.75Å; H35-M40 WeakPolarHBondContact CB-O 3.38Å; H35-M40 HydrophobicContact CB-SD 4.03Å; H35-M40 PolarHBondContact N-O 2.79Å
36P97.1Very high98.3Very high123 Ų12345 Ų4580%0.79924%0.235SC*.THydrogen-bonded Turntrans-56.7-22.4-177.1-28.936.2000115.9G38P36-G38 VanDerWaalsContact C-N 3.27Å; P36-G38 PolarHBondContact O-N 3.1Å
37T97Very high98.3Very high77 Ų7748.2 Ų48.247%0.47225%0.249SC..THydrogen-bonded Turntrans-78.5-9.4176.3610000113.6H35 K39H35-T37 PolarHBondContact ND1-N 3.38Å; H35-T37 PolarHBondContact ND1-OG1 3.35Å; H35-T37 PolarHBondContact O-N 2.85Å; T37-K39 PolarHBondContact O-N 2.81Å; T37-K39 VanDerWaalsContact O-N 3.12Å; T37-K39 PolarHBondContact OG1-N 3.1Å
38G97.1Very high98.3Very high12 Ų1251 Ų5112%0.12428%0.277CS..SBendtrans68.3-0.2-171.100000114.3H35 P36 L55 P58 L59H35-G38 PolarHBondContact O-N 3.06Å; P36-G38 VanDerWaalsContact C-N 3.27Å; P36-G38 PolarHBondContact O-N 3.1Å; G38-L55 WeakPolarHBondContact O-CD1 3.48Å; G38-P58 WeakPolarHBondContact O-CA 3.34Å; G38-L59 WeakPolarHBondContact O-CG 3.42Å; G38-L59 PolarHBondContact O-N 3.1Å
39K98.1Very high98.2Very high97 Ų9755.4 Ų55.442%0.42230%0.296SS..SBendtrans-94.23.3-176-65.5-166.3171-155.50114.8T37 L55 M56 P58T37-K39 PolarHBondContact O-N 2.81Å; T37-K39 VanDerWaalsContact O-N 3.12Å; T37-K39 PolarHBondContact OG1-N 3.1Å; K39-L55 PolarHBondContact O-N 2.85Å; K39-M56 PolarHBondContact NZ-O 3.15Å; K39-P58 HydrophobicContact CD-CG 4.46Å; K39-P58 HydrophobicContact CG-CB 4.29Å; K39-P58 HydrophobicContact CG-CG 3.93Å
40M98.4Very high98.2Very high50 Ų5059.9 Ų59.925%0.24632%0.32CS..EExtended strand (participates in β ladder)trans-153.7144.2179.5176.6-84.4-82.900109.2H35 I42 T52 I53H35-M40 HydrophobicContact CB-CB 3.88Å; H35-M40 HydrophobicContact CB-CE 3.75Å; H35-M40 WeakPolarHBondContact CB-O 3.38Å; H35-M40 HydrophobicContact CB-SD 4.03Å; H35-M40 PolarHBondContact N-O 2.79Å; M40-I42 HydrophobicContact SD-CG1 4.1Å; M40-T52 HydrophobicContact CG-CG2 3.69Å; M40-T52 HydrophobicContact SD-CG2 4.1Å; M40-I53 CarbonylContact C-O 3.46Å; M40-I53 WeakPolarHBondContact CA-O 3.25Å; M40-I53 WeakPolarHBondContact CG-O 3.32Å
41F98.7Very high98.2Very high0 Ų055.7 Ų55.70%031%0.305CS..EExtended strand (participates in β ladder)trans-145.1163.6168.959.2-89.8000110.9L31 K33 I34 L43 I53 L55 L59 I63 V69L31-F41 HydrophobicContact CD1-CB 3.86Å; L31-F41 HydrophobicContact CD1-CD2 3.68Å; L31-F41 HydrophobicContact CD1-CG 4.07Å; K33-F41 CarbonylContact O-C 3.47Å; K33-F41 WeakPolarHBondContact O-CA 3.27Å; K33-F41 VanDerWaalsContact O-CB 3.28Å; K33-F41 WeakPolarHBondContact O-CB 3.5Å; I34-F41 HydrophobicContact CG1-CB 4.32Å; F41-L43 HydrophobicContact CD2-CD2 3.8Å; F41-L43 HydrophobicContact CD2-CG 3.94Å; F41-L43 HydrophobicContact CE2-CD1 3.99Å; F41-L43 HydrophobicContact CE2-CD2 3.77Å; F41-L43 HydrophobicContact CE2-CG 3.76Å; F41-I53 HydrophobicContact CD1-CB 4.3Å; F41-I53 HydrophobicContact CD1-CG2 4.46Å; F41-I53 HydrophobicContact CD2-CB 3.93Å; F41-I53 HydrophobicContact CD2-CG1 3.96Å; F41-I53 HydrophobicContact CE1-CB 4.03Å; F41-I53 HydrophobicContact CE1-CG2 3.75Å; F41-I53 HydrophobicContact CE2-CB 3.65Å; F41-I53 HydrophobicContact CE2-CG1 3.58Å; F41-I53 HydrophobicContact CE2-CG2 3.88Å; F41-I53 HydrophobicContact CG-CB 4.26Å; F41-I53 HydrophobicContact CZ-CB 3.71Å; F41-I53 HydrophobicContact CZ-CG1 4.07Å; F41-I53 HydrophobicContact CZ-CG2 3.43Å; F41-I53 VanDerWaalsContact CZ-CG2 3.43Å; F41-I53 PolarHBondContact N-O 3.2Å; F41-I53 PolarHBondContact O-N 3.38Å; F41-L55 HydrophobicContact CD1-CD1 3.91Å; F41-L55 HydrophobicContact CD1-CG 4.38Å; F41-L55 HydrophobicContact CE1-CD1 3.79Å; F41-L55 HydrophobicContact CE1-CD2 4.09Å; F41-L55 HydrophobicContact CE1-CG 3.98Å; F41-L59 HydrophobicContact CD1-CD1 4.45Å; F41-I63 HydrophobicContact CD1-CD1 4.13Å; F41-I63 HydrophobicContact CD2-CD1 4.3Å; F41-I63 HydrophobicContact CE1-CD1 4.29Å; F41-I63 HydrophobicContact CE2-CD1 4.43Å; F41-I63 HydrophobicContact CG-CD1 4.13Å; F41-I63 HydrophobicContact CZ-CD1 4.42Å; F41-V69 HydrophobicContact CE2-CG2 4.03Å; F41-V69 HydrophobicContact CZ-CG2 3.91Å
42I98.8Very high98.2Very high38 Ų3856.5 Ų56.520%0.19531%0.311CS..EExtended strand (participates in β ladder)trans-112.3129.8-178.2-58.6179.4000108.2E32 K33 M40 N50 G51E32-I42 HydrophobicContact CB-CB 4.36Å; E32-I42 HydrophobicContact CB-CG2 4.18Å; E32-I42 PolarHBondContact N-O 3.32Å; K33-I42 HydrophobicContact CB-CB 4.33Å; K33-I42 HydrophobicContact CB-CD1 4.31Å; K33-I42 HydrophobicContact CB-CG1 4.47Å; K33-I42 PolarHBondContact O-N 2.95Å; M40-I42 HydrophobicContact SD-CG1 4.1Å; I42-N50 HydrophobicContact CG2-CB 3.74Å; I42-G51 WeakPolarHBondContact CA-O 3.37Å
43L98.9Very high98.2Very high0 Ų051.6 Ų51.60%029%0.288CS..EExtended strand (participates in β ladder)trans-112.7137.9170.5-62-174.6000110F27 R30 L31 F41 N50 G51 I53 M67 V69F27-L43 HydrophobicContact CD1-CB 4.3Å; F27-L43 HydrophobicContact CD1-CD1 3.82Å; F27-L43 HydrophobicContact CE1-CB 3.6Å; F27-L43 HydrophobicContact CE1-CD1 3.97Å; F27-L43 HydrophobicContact CE1-CG 4.42Å; R30-L43 CarbonylContact O-C 3.47Å; R30-L43 WeakPolarHBondContact O-CA 3.22Å; L31-L43 HydrophobicContact CB-CD2 4.07Å; L31-L43 HydrophobicContact CD1-CD2 3.92Å; F41-L43 HydrophobicContact CD2-CD2 3.8Å; F41-L43 HydrophobicContact CD2-CG 3.94Å; F41-L43 HydrophobicContact CE2-CD1 3.99Å; F41-L43 HydrophobicContact CE2-CD2 3.77Å; F41-L43 HydrophobicContact CE2-CG 3.76Å; L43-N50 CarbonylContact O-C 3.49Å; L43-N50 WeakPolarHBondContact O-CA 3.49Å; L43-G51 PolarHBondContact N-O 3.04Å; L43-G51 PolarHBondContact O-N 3Å; L43-I53 HydrophobicContact CD1-CD1 4.33Å; L43-I53 HydrophobicContact CD1-CG1 4.01Å; L43-I53 HydrophobicContact CG-CG1 3.94Å; L43-M67 HydrophobicContact CD1-CB 4.08Å; L43-M67 HydrophobicContact CD2-CB 4.02Å; L43-M67 HydrophobicContact CD2-CG 4.13Å; L43-V69 HydrophobicContact CD1-CG2 3.67Å
44S98.8Very high98.3Very high9 Ų948.3 Ų48.36%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-92.8136167.561.40000110.7G29 R30 E32 K49 N50G29-S44 CarbonylContact C-O 3.37Å; G29-S44 WeakPolarHBondContact CA-O 3.49Å; R30-S44 PolarHBondContact N-O 2.79Å; R30-S44 PolarHBondContact O-N 2.85Å; R30-S44 PolarHBondContact O-OG 2.95Å; E32-S44 VanDerWaalsContact OE1-CB 3.32Å; E32-S44 WeakPolarHBondContact OE1-CB 2.99Å; E32-S44 PolarHBondContact OE1-OG 3Å; S44-K49 CarbonylContact C-O 3.52Å; S44-K49 VanDerWaalsContact CA-O 3.27Å; S44-K49 WeakPolarHBondContact CA-O 3.3Å; S44-N50 WeakPolarHBondContact CB-OD1 3.18Å
45D98.6Very high98.2Very high4 Ų446.3 Ų46.32%0.02127%0.265CS..  trans-82.2-179.1173.468.514.9000112.3N13 V14 F27 E47 G48 K49N13-D45 HydrophobicContact CB-CB 4.27Å; N13-D45 WeakPolarHBondContact CB-OD2 3.47Å; V14-D45 VanDerWaalsContact CB-OD2 3.24Å; V14-D45 WeakPolarHBondContact CB-OD2 3.49Å; V14-D45 HydrophobicContact CG2-CB 4.08Å; V14-D45 WeakPolarHBondContact CG2-OD2 3.28Å; V14-D45 PolarHBondContact N-OD2 2.86Å; F27-D45 HydrophobicContact CE2-CB 4.44Å; F27-D45 HydrophobicContact CZ-CB 4.04Å; D45-E47 PolarHBondContact O-N 3.33Å; D45-E47 VanDerWaalsContact O-N 3.09Å; D45-E47 WeakPolarHBondContact OD1-CA 3.39Å; D45-E47 WeakPolarHBondContact OD1-CB 3.45Å; D45-E47 PolarHBondContact OD1-N 2.82Å; D45-G48 PolarHBondContact O-N 2.83Å; D45-G48 PolarHBondContact OD1-N 2.78Å; D45-K49 PolarHBondContact N-O 3.43Å; D45-K49 PolarHBondContact OD1-N 2.85Å
46G98.2Very high98.2Very high26 Ų2649.3 Ų49.327%0.26828%0.281SS..THydrogen-bonded Turntrans-67.7-317900000115.4L96G46-L96 WeakPolarHBondContact CA-O 3.39Å
47E97.8Very high98.1Very high75 Ų7550.7 Ų50.735%0.3528%0.277SS..THydrogen-bonded Turntrans-103.35.2170-54.7-169.5163.400112.1D45 K49 N100 K104D45-E47 PolarHBondContact O-N 3.33Å; D45-E47 VanDerWaalsContact O-N 3.09Å; D45-E47 WeakPolarHBondContact OD1-CA 3.39Å; D45-E47 WeakPolarHBondContact OD1-CB 3.45Å; D45-E47 PolarHBondContact OD1-N 2.82Å; E47-K49 VanDerWaalsContact C-N 3.26Å; E47-K49 HydrophobicContact CB-CD 4.45Å; E47-K49 HydrophobicContact CB-CG 4.45Å; E47-K49 PolarHBondContact O-N 3.24Å; E47-K49 IonicContact OE2-NZ 3.93Å; E47-K49 PolarHBondContact OE2-NZ 3.42Å; E47-N100 WeakPolarHBondContact CG-ND2 3.42Å; E47-N100 PolarHBondContact OE1-ND2 3.45Å; E47-K104 WeakPolarHBondContact OE1-CE 3.24Å; E47-K104 IonicContact OE1-NZ 2.73Å; E47-K104 PolarHBondContact OE1-NZ 3.11Å
48G97.9Very high98.2Very high57 Ų5750.4 Ų50.459%0.58828%0.276SS*.SBendtrans72.217.5-177.100000113.6D45D45-G48 PolarHBondContact O-N 2.83Å; D45-G48 PolarHBondContact OD1-N 2.78Å
49K98.6Very high98.1Very high96 Ų9651.4 Ų51.442%0.41728%0.278SS..  trans-90.6144.8176.2-66.7172.5-176.9155.10109.8V14 S44 D45 E47V14-K49 HydrophobicContact CB-CB 3.81Å; V14-K49 HydrophobicContact CG1-CB 3.95Å; V14-K49 HydrophobicContact CG2-CB 4.18Å; V14-K49 VanDerWaalsContact CG2-O 3.32Å; V14-K49 WeakPolarHBondContact CG2-O 3.49Å; S44-K49 CarbonylContact C-O 3.52Å; S44-K49 VanDerWaalsContact CA-O 3.27Å; S44-K49 WeakPolarHBondContact CA-O 3.3Å; D45-K49 PolarHBondContact N-O 3.43Å; D45-K49 PolarHBondContact OD1-N 2.85Å; E47-K49 VanDerWaalsContact C-N 3.26Å; E47-K49 HydrophobicContact CB-CD 4.45Å; E47-K49 HydrophobicContact CB-CG 4.45Å; E47-K49 PolarHBondContact O-N 3.24Å; E47-K49 IonicContact OE2-NZ 3.93Å; E47-K49 PolarHBondContact OE2-NZ 3.42Å
50N98.7Very high97.9Very high95 Ų9553.7 Ų53.751%0.50830%0.295SS..EExtended strand (participates in β ladder)trans-96.8127.5-173.2-70.3-13.8000112.5V14 I42 L43 S44V14-N50 WeakPolarHBondContact CG1-O 3.32Å; I42-N50 HydrophobicContact CG2-CB 3.74Å; L43-N50 CarbonylContact O-C 3.49Å; L43-N50 WeakPolarHBondContact O-CA 3.49Å; S44-N50 WeakPolarHBondContact CB-OD1 3.18Å
51G98.5Very high97.7Very high2 Ų256.8 Ų56.82%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-105.3140.9168.200000110.8I42 L43I42-G51 WeakPolarHBondContact CA-O 3.37Å; L43-G51 PolarHBondContact N-O 3.04Å; L43-G51 PolarHBondContact O-N 3Å
52T98.8Very high97.3Very high47 Ų4765.2 Ų65.229%0.28835%0.348SS..EExtended strand (participates in β ladder)trans-96128.3175.4-59.10000110M40 T78 I79M40-T52 HydrophobicContact CG-CG2 3.69Å; M40-T52 HydrophobicContact SD-CG2 4.1Å; T52-T78 HydrophobicContact CG2-CG2 4.06Å; T52-T78 WeakPolarHBondContact O-CA 3.39Å; T52-T78 WeakPolarHBondContact O-CB 3.36Å; T52-I79 PolarHBondContact O-N 2.86Å
53I98.8Very high97.2Very high0 Ų063.7 Ų63.70%034%0.341CS..EExtended strand (participates in β ladder)trans-110124.6177.6-46.9-56.5000108.9F27 M40 F41 L43 V69 I79 C81F27-I53 HydrophobicContact CD1-CD1 4.4Å; M40-I53 CarbonylContact C-O 3.46Å; M40-I53 WeakPolarHBondContact CA-O 3.25Å; M40-I53 WeakPolarHBondContact CG-O 3.32Å; F41-I53 HydrophobicContact CD1-CB 4.3Å; F41-I53 HydrophobicContact CD1-CG2 4.46Å; F41-I53 HydrophobicContact CD2-CB 3.93Å; F41-I53 HydrophobicContact CD2-CG1 3.96Å; F41-I53 HydrophobicContact CE1-CB 4.03Å; F41-I53 HydrophobicContact CE1-CG2 3.75Å; F41-I53 HydrophobicContact CE2-CB 3.65Å; F41-I53 HydrophobicContact CE2-CG1 3.58Å; F41-I53 HydrophobicContact CE2-CG2 3.88Å; F41-I53 HydrophobicContact CG-CB 4.26Å; F41-I53 HydrophobicContact CZ-CB 3.71Å; F41-I53 HydrophobicContact CZ-CG1 4.07Å; F41-I53 HydrophobicContact CZ-CG2 3.43Å; F41-I53 VanDerWaalsContact CZ-CG2 3.43Å; F41-I53 PolarHBondContact N-O 3.2Å; F41-I53 PolarHBondContact O-N 3.38Å; L43-I53 HydrophobicContact CD1-CD1 4.33Å; L43-I53 HydrophobicContact CD1-CG1 4.01Å; L43-I53 HydrophobicContact CG-CG1 3.94Å; I53-V69 HydrophobicContact CD1-CG1 4.25Å; I53-V69 HydrophobicContact CG1-CG2 4.37Å; I53-V69 HydrophobicContact CG2-CG1 3.81Å; I53-V69 HydrophobicContact CG2-CG2 4.28Å; I53-I79 WeakPolarHBondContact CA-O 3.24Å; I53-I79 HydrophobicContact CD1-CB 3.87Å; I53-I79 HydrophobicContact CD1-CD1 3.76Å; I53-I79 HydrophobicContact CD1-CG1 4.27Å; I53-C81 HydrophobicContact CG2-CB 3.62Å
54E98.6Very high97.1Very high64 Ų6466.6 Ų66.630%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-105140.2178.5-64.4177.8-148.200110T78 I79 L80 C81E54-T78 VanDerWaalsContact OE1-CB 3.27Å; E54-T78 WeakPolarHBondContact OE1-CB 3.41Å; E54-T78 WeakPolarHBondContact OE1-CG2 3.14Å; E54-T78 PolarHBondContact OE1-OG1 2.85Å; E54-I79 PolarHBondContact N-O 3.39Å; E54-L80 HydrophobicContact CB-CD1 4.2Å; E54-C81 VanDerWaalsContact O-CB 3.3Å; E54-C81 WeakPolarHBondContact O-CB 3.47Å; E54-C81 PolarHBondContact O-N 3.23Å
55L98.1Very high97.1Very high24 Ų2467.1 Ų67.113%0.12637%0.368CS..  trans-117.9145.2178.3-62.8161.8000110.5G38 K39 F41 E57 L59 C81 Y84G38-L55 WeakPolarHBondContact O-CD1 3.48Å; K39-L55 PolarHBondContact O-N 2.85Å; F41-L55 HydrophobicContact CD1-CD1 3.91Å; F41-L55 HydrophobicContact CD1-CG 4.38Å; F41-L55 HydrophobicContact CE1-CD1 3.79Å; F41-L55 HydrophobicContact CE1-CD2 4.09Å; F41-L55 HydrophobicContact CE1-CG 3.98Å; L55-E57 WeakPolarHBondContact CB-O 3.05Å; L55-L59 HydrophobicContact CD1-CD1 4.46Å; L55-L59 HydrophobicContact CD1-CD2 3.66Å; L55-L59 HydrophobicContact CD1-CG 3.63Å; L55-C81 HydrophobicContact CD2-CB 3.75Å; L55-Y84 HydrophobicContact CD2-CD1 4.31Å; L55-Y84 HydrophobicContact CD2-CE1 4.28Å
56M96.2Very high97.1Very high139 Ų13967 Ų6769%0.68537%0.367SS*.SBendtrans-68.9-41.6173.9-67.5-64.6-69.900111.3K39 L80K39-M56 PolarHBondContact NZ-O 3.15Å; M56-L80 HydrophobicContact CG-CD1 4.3Å; M56-L80 HydrophobicContact SD-CD1 3.98Å; M56-L80 HydrophobicContact SD-CD2 4.34Å
57E96.7Very high97.1Very high153 Ų15365.7 Ų65.772%0.71535%0.354SS*.SBendtrans-118.3152.9179.4-61.9-172.6172.300110L55L55-E57 WeakPolarHBondContact CB-O 3.05Å
58P97.6Very high97.1Very high70 Ų7064 Ų6446%0.45535%0.346SS..  trans-60.4150.7174.7-18.533.2000111.2G38 K39 D60G38-P58 WeakPolarHBondContact O-CA 3.34Å; K39-P58 HydrophobicContact CD-CG 4.46Å; K39-P58 HydrophobicContact CG-CB 4.29Å; K39-P58 HydrophobicContact CG-CG 3.93Å; P58-D60 PolarHBondContact O-N 3.01Å
59L96.5Very high97.2Very high33 Ų3361.3 Ų61.317%0.17332%0.318CS..  trans-52.3134.4167.3-67.8165.4000110.7I34 G38 F41 L55 I63 Y84I34-L59 HydrophobicContact CD1-CD1 4.2Å; I34-L59 HydrophobicContact CG2-CD1 3.81Å; G38-L59 WeakPolarHBondContact O-CG 3.42Å; G38-L59 PolarHBondContact O-N 3.1Å; F41-L59 HydrophobicContact CD1-CD1 4.45Å; L55-L59 HydrophobicContact CD1-CD1 4.46Å; L55-L59 HydrophobicContact CD1-CD2 3.66Å; L55-L59 HydrophobicContact CD1-CG 3.63Å; L59-I63 HydrophobicContact CD1-CD1 3.71Å; L59-I63 HydrophobicContact CD1-CG1 3.93Å; L59-I63 HydrophobicContact CD2-CD1 4Å; L59-I63 HydrophobicContact CD2-CG1 4.48Å; L59-I63 HydrophobicContact CD2-CG2 4.37Å; L59-Y84 HydrophobicContact CD2-CE1 3.82Å; L59-Y84 WeakPolarHBondContact CD2-OH 3.27Å
60D93.5Very high97.2Very high146 Ų14657.3 Ų57.378%0.78130%0.302SS*.SBendtrans-97.5-15.9175.959.2-19000112.8P58P58-D60 PolarHBondContact O-N 3.01Å
61E92.8Very high97.1Very high115 Ų11552.8 Ų52.854%0.53728%0.277SS..SBendtrans-129.7160.3178.766.3-176.2179.800112.9I63 Y84E61-I63 HydrophobicContact CG-CG2 4.21Å; E61-Y84 WeakPolarHBondContact OE1-CE2 3.46Å
62E91.8Very high97.1Very high177 Ų17756.4 Ų56.483%0.82729%0.293SS*.  trans-78.1123.1171.5-173173.5-170.900109.6
63I96.6Very high97.1Very high6 Ų654.2 Ų54.23%0.03128%0.279CS..  trans-108148.917856.2166.5000110.4L31 I34 F41 L59 E61 M67 Y84L31-I63 HydrophobicContact CD1-CD1 3.94Å; L31-I63 HydrophobicContact CD1-CG1 4.49Å; L31-I63 HydrophobicContact CD2-CB 4.42Å; L31-I63 HydrophobicContact CD2-CD1 4.14Å; L31-I63 HydrophobicContact CD2-CG1 3.78Å; L31-I63 WeakPolarHBondContact CD2-O 3.42Å; I34-I63 HydrophobicContact CD1-CD1 4.42Å; I34-I63 HydrophobicContact CD1-CG1 3.79Å; I34-I63 HydrophobicContact CG1-CG1 4.47Å; F41-I63 HydrophobicContact CD1-CD1 4.13Å; F41-I63 HydrophobicContact CD2-CD1 4.3Å; F41-I63 HydrophobicContact CE1-CD1 4.29Å; F41-I63 HydrophobicContact CE2-CD1 4.43Å; F41-I63 HydrophobicContact CG-CD1 4.13Å; F41-I63 HydrophobicContact CZ-CD1 4.42Å; L59-I63 HydrophobicContact CD1-CD1 3.71Å; L59-I63 HydrophobicContact CD1-CG1 3.93Å; L59-I63 HydrophobicContact CD2-CD1 4Å; L59-I63 HydrophobicContact CD2-CG1 4.48Å; L59-I63 HydrophobicContact CD2-CG2 4.37Å; E61-I63 HydrophobicContact CG-CG2 4.21Å; I63-M67 HydrophobicContact CB-CE 4.11Å; I63-M67 HydrophobicContact CB-SD 4.13Å; I63-M67 HydrophobicContact CD1-CE 4.29Å; I63-M67 HydrophobicContact CG2-CE 3.97Å; I63-M67 HydrophobicContact CG2-SD 4.48Å; I63-Y84 HydrophobicContact CG2-CE2 3.86Å
64S97Very high97.1Very high61 Ų6155.6 Ų55.643%0.42729%0.288SS..  trans-158.8171.217858.80000112.3Q86S64-Q86 VanDerWaalsContact N-OE1 3.07Å; S64-Q86 VanDerWaalsContact O-CG 3.31Å; S64-Q86 WeakPolarHBondContact O-CG 3.48Å; S64-Q86 PolarHBondContact O-NE2 2.59Å; S64-Q86 PolarHBondContact O-OE1 2.83Å; S64-Q86 PolarHBondContact OG-NE2 2.82Å
65G97.8Very high97Very high20 Ų2058.6 Ų58.621%0.20631%0.31CS..SBendtrans69.5-146.2172.700000113.6R30 L31R30-G65 WeakPolarHBondContact CA-O 3.44Å; L31-G65 PolarHBondContact N-O 2.8Å
66I98.6Very high97Very high0 Ų065.5 Ų65.50%034%0.34CS..EExtended strand (participates in β ladder)trans-81.4132.4176.5-60.5-53000111.1V28 R30 F87 E89 F94 L96V28-I66 HydrophobicContact CG1-CG2 3.71Å; R30-I66 HydrophobicContact CB-CD1 3.57Å; R30-I66 HydrophobicContact CG-CD1 4.07Å; I66-F87 HydrophobicContact CB-CB 4.11Å; I66-F87 HydrophobicContact CG2-CB 4.08Å; I66-F87 HydrophobicContact CG2-CD2 3.66Å; I66-F87 HydrophobicContact CG2-CE2 4.35Å; I66-F87 HydrophobicContact CG2-CG 4.01Å; I66-F87 PolarHBondContact O-N 2.96Å; I66-E89 PolarHBondContact N-OE2 2.9Å; I66-F94 HydrophobicContact CG1-CB 4.01Å; I66-F94 HydrophobicContact CG1-CD1 4.08Å; I66-F94 HydrophobicContact CG1-CG 4.38Å; I66-F94 HydrophobicContact CG2-CD1 3.93Å; I66-F94 HydrophobicContact CG2-CE1 4.3Å; I66-F94 HydrophobicContact CG2-CG 4.35Å; I66-L96 HydrophobicContact CD1-CB 4.41Å; I66-L96 HydrophobicContact CD1-CD2 4.05Å
67M98.3Very high97.1Very high0 Ų060.5 Ų60.50%032%0.32CS..EExtended strand (participates in β ladder)trans-124.5137.8-178.5-61.9-69.6-61.800110V28 G29 L43 I63 Y84 V85 Q86V28-M67 VanDerWaalsContact CA-O 3.28Å; V28-M67 WeakPolarHBondContact CA-O 3.08Å; G29-M67 PolarHBondContact N-O 2.87Å; G29-M67 PolarHBondContact O-N 3.32Å; L43-M67 HydrophobicContact CD1-CB 4.08Å; L43-M67 HydrophobicContact CD2-CB 4.02Å; L43-M67 HydrophobicContact CD2-CG 4.13Å; I63-M67 HydrophobicContact CB-CE 4.11Å; I63-M67 HydrophobicContact CB-SD 4.13Å; I63-M67 HydrophobicContact CD1-CE 4.29Å; I63-M67 HydrophobicContact CG2-CE 3.97Å; I63-M67 HydrophobicContact CG2-SD 4.48Å; M67-Y84 HydrophobicContact CE-CD2 3.35Å; M67-Y84 HydrophobicContact CE-CE2 4.08Å; M67-Y84 HydrophobicContact CE-CG 3.93Å; M67-V85 WeakPolarHBondContact CA-O 3.41Å; M67-Q86 HydrophobicContact CE-CB 4.49Å; M67-Q86 HydrophobicContact SD-CB 3.64Å; M67-Q86 HydrophobicContact SD-CG 3.84Å
68E98.7Very high97.2Very high39 Ų3953.9 Ų53.918%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-100.9125.5162.2-177.1171.4-102.300109R11 C26 V28 Y84 V85 F87R11-E68 IonicContact CZ-OE1 3.27Å; R11-E68 VanDerWaalsContact CZ-OE1 3.27Å; R11-E68 IonicContact NH1-OE1 2.74Å; R11-E68 PolarHBondContact NH1-OE1 2.96Å; R11-E68 IonicContact NH2-OE1 2.84Å; R11-E68 PolarHBondContact NH2-OE1 3.27Å; C26-E68 VanDerWaalsContact SG-CD 3.51Å; C26-E68 VanDerWaalsContact SG-CG 3.53Å; C26-E68 PolarHBondContact SG-OE1 2.91Å; C26-E68 VanDerWaalsContact SG-OE1 3.33Å; V28-E68 HydrophobicContact CG2-CB 3.95Å; V28-E68 HydrophobicContact CG2-CG 3.82Å; E68-Y84 CarbonylContact O-C 3.5Å; E68-Y84 WeakPolarHBondContact O-CA 3.43Å; E68-Y84 WeakPolarHBondContact O-CB 3.32Å; E68-V85 PolarHBondContact N-O 3.47Å; E68-V85 PolarHBondContact O-N 3.08Å; E68-F87 HydrophobicContact CB-CD1 4.38Å; E68-F87 HydrophobicContact CB-CE1 3.54Å; E68-F87 HydrophobicContact CB-CZ 3.92Å; E68-F87 HydrophobicContact CG-CE1 4.49Å
69V98.4Very high97.3Very high0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-116.1127.2178.9172.40000109.1C26 F27 F41 L43 I53 I79 C81C26-V69 CarbonylContact C-O 3.6Å; C26-V69 WeakPolarHBondContact CA-O 3.33Å; F27-V69 PolarHBondContact N-O 3.42Å; F27-V69 PolarHBondContact O-N 3.1Å; F41-V69 HydrophobicContact CE2-CG2 4.03Å; F41-V69 HydrophobicContact CZ-CG2 3.91Å; L43-V69 HydrophobicContact CD1-CG2 3.67Å; I53-V69 HydrophobicContact CD1-CG1 4.25Å; I53-V69 HydrophobicContact CG1-CG2 4.37Å; I53-V69 HydrophobicContact CG2-CG1 3.81Å; I53-V69 HydrophobicContact CG2-CG2 4.28Å; V69-I79 HydrophobicContact CG1-CG2 4.08Å; V69-C81 HydrophobicContact CG1-CB 3.98Å
70V98.4Very high97.4Very high12 Ų1251.9 Ų51.97%0.07328%0.276CS..EExtended strand (participates in β ladder)trans-104.4128.9168173.40000108.5M4 R9 V25 T82 S83M4-V70 HydrophobicContact CE-CG1 4.38Å; R9-V70 VanDerWaalsContact CD-CG1 3.42Å; R9-V70 HydrophobicContact CG-CG1 4.17Å; V25-V70 WeakPolarHBondContact O-CA 3.2Å; V70-T82 PolarHBondContact O-N 3.39Å; V70-S83 PolarHBondContact N-O 2.86Å; V70-S83 PolarHBondContact O-N 2.84Å
71G97.9Very high97.6Very high0 Ų045.3 Ų45.30%024%0.241CC..EExtended strand (participates in β ladder)trans-172.7179.1-176.700000112.9M4 V25 L80M4-G71 VanDerWaalsContact CE-CA 3.49Å; M4-G71 WeakPolarHBondContact CE-O 3.1Å; V25-G71 WeakPolarHBondContact CG2-O 3.35Å; V25-G71 PolarHBondContact N-O 3.45Å; V25-G71 PolarHBondContact O-N 3.48Å; V25-G71 VanDerWaalsContact O-N 3.14Å; G71-L80 CarbonylContact C-O 3.59Å; G71-L80 WeakPolarHBondContact CA-O 3.4Å
72K98.2Very high97.8Very high78 Ų7843.8 Ų43.834%0.33924%0.24SC..EExtended strand (participates in β ladder)trans-104.9132.5178.6-169.5178.2-171.6-169.90109M4 D22 K23 T74 L80M4-K72 HydrophobicContact CE-CB 4.18Å; M4-K72 HydrophobicContact SD-CB 4.16Å; D22-K72 WeakPolarHBondContact O-CE 3.3Å; D22-K72 WeakPolarHBondContact OD1-CE 3.44Å; D22-K72 IonicContact OD1-NZ 2.65Å; D22-K72 PolarHBondContact OD1-NZ 2.96Å; D22-K72 IonicContact OD2-NZ 2.95Å; D22-K72 PolarHBondContact OD2-NZ 2.74Å; K23-K72 WeakPolarHBondContact O-CA 3.28Å; K72-T74 PolarHBondContact O-N 3.33Å; K72-L80 PolarHBondContact N-O 3.15Å; K72-L80 PolarHBondContact O-N 3.07Å
73V98.6Very high98Very high1 Ų137.3 Ų37.31%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-70.8128.5175.7-169.30000109.4I12 L17 F20 I21 D22 K23 V25 T78 I79I12-V73 HydrophobicContact CD1-CG2 4.41Å; L17-V73 HydrophobicContact CD2-CG1 4.17Å; L17-V73 HydrophobicContact CD2-CG2 4.21Å; F20-V73 HydrophobicContact CB-CG2 3.91Å; F20-V73 VanDerWaalsContact O-CB 3.22Å; F20-V73 WeakPolarHBondContact O-CB 3.45Å; F20-V73 VanDerWaalsContact O-CG2 3.32Å; F20-V73 WeakPolarHBondContact O-CG2 2.98Å; I21-V73 HydrophobicContact CD1-CG1 3.95Å; D22-V73 WeakPolarHBondContact CA-O 3.22Å; D22-V73 PolarHBondContact N-O 3.25Å; K23-V73 PolarHBondContact O-N 2.85Å; K23-V73 VanDerWaalsContact O-N 3.1Å; V25-V73 HydrophobicContact CB-CG2 4.28Å; V25-V73 HydrophobicContact CG1-CG2 3.64Å; V25-V73 HydrophobicContact CG2-CG2 3.61Å; V73-T78 CarbonylContact C-O 3.57Å; V73-T78 VanDerWaalsContact CA-O 3.27Å; V73-T78 WeakPolarHBondContact CA-O 3.31Å; V73-T78 WeakPolarHBondContact CG1-O 3.47Å; V73-I79 HydrophobicContact CG2-CG1 4.48Å
74T98.6Very high98Very high30 Ų3039.4 Ų39.418%0.18422%0.221CC..  trans-81.3169.8178.978.20000111.3I21 K72 K76 A77 T78 L80I21-T74 WeakPolarHBondContact CD1-O 3.28Å; K72-T74 PolarHBondContact O-N 3.33Å; T74-K76 PolarHBondContact O-N 3.35Å; T74-K76 VanDerWaalsContact O-N 3.1Å; T74-K76 PolarHBondContact OG1-N 2.75Å; T74-K76 VanDerWaalsContact OG1-N 3.16Å; T74-A77 PolarHBondContact O-N 3.45Å; T74-T78 VanDerWaalsContact CG2-OG1 3.3Å; T74-T78 WeakPolarHBondContact CG2-OG1 3.49Å; T74-T78 PolarHBondContact N-O 3.42Å; T74-T78 PolarHBondContact OG1-N 3.13Å; T74-T78 PolarHBondContact OG1-OG1 3.32Å; T74-L80 HydrophobicContact CG2-CB 3.96Å
75T97.8Very high98Very high126 Ų12640.4 Ų40.477%0.77323%0.225SC*.THydrogen-bonded Turntrans-62.7-14.1173.653.60000114.3I21I21-T75 HydrophobicContact CG2-CG2 4.5Å
76K97.9Very high98Very high170 Ų17043.4 Ų43.474%0.73923%0.234SC*.THydrogen-bonded Turntrans-9410176.1-63.2-179.9-177.21730113.1T74 T78T74-K76 PolarHBondContact O-N 3.35Å; T74-K76 VanDerWaalsContact O-N 3.1Å; T74-K76 PolarHBondContact OG1-N 2.75Å; T74-K76 VanDerWaalsContact OG1-N 3.16Å; K76-T78 HydrophobicContact CB-CG2 4.26Å; K76-T78 PolarHBondContact O-N 3Å
77A98Very high98Very high33 Ų3345.7 Ų45.727%0.27324%0.244SC..SBendtrans57.333.1-172.900000113.1L17 I21 T74L17-A77 HydrophobicContact CB-CB 4.11Å; L17-A77 WeakPolarHBondContact CD1-O 3.44Å; I21-A77 HydrophobicContact CD1-CB 4.04Å; T74-A77 PolarHBondContact O-N 3.45Å
78T98.7Very high97.9Very high14 Ų1454.4 Ų54.49%0.08628%0.281CS..  trans-101.9170.3165.865.20000109.3T52 E54 V73 T74 K76T52-T78 HydrophobicContact CG2-CG2 4.06Å; T52-T78 WeakPolarHBondContact O-CA 3.39Å; T52-T78 WeakPolarHBondContact O-CB 3.36Å; E54-T78 VanDerWaalsContact OE1-CB 3.27Å; E54-T78 WeakPolarHBondContact OE1-CB 3.41Å; E54-T78 WeakPolarHBondContact OE1-CG2 3.14Å; E54-T78 PolarHBondContact OE1-OG1 2.85Å; V73-T78 CarbonylContact C-O 3.57Å; V73-T78 VanDerWaalsContact CA-O 3.27Å; V73-T78 WeakPolarHBondContact CA-O 3.31Å; V73-T78 WeakPolarHBondContact CG1-O 3.47Å; T74-T78 VanDerWaalsContact CG2-OG1 3.3Å; T74-T78 WeakPolarHBondContact CG2-OG1 3.49Å; T74-T78 PolarHBondContact N-O 3.42Å; T74-T78 PolarHBondContact OG1-N 3.13Å; T74-T78 PolarHBondContact OG1-OG1 3.32Å; K76-T78 HydrophobicContact CB-CG2 4.26Å; K76-T78 PolarHBondContact O-N 3Å
79I98.8Very high97.7Very high2 Ų255.2 Ų55.21%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-110118.6175.1-61.8166.5000109L17 V25 F27 T52 I53 E54 V69 V73 C81L17-I79 HydrophobicContact CD2-CD1 3.86Å; L17-I79 HydrophobicContact CD2-CG1 3.73Å; V25-I79 HydrophobicContact CG2-CD1 4.12Å; V25-I79 HydrophobicContact CG2-CG1 4.13Å; V25-I79 HydrophobicContact CG2-CG2 4.3Å; F27-I79 HydrophobicContact CB-CD1 3.43Å; F27-I79 VanDerWaalsContact CB-CD1 3.43Å; F27-I79 HydrophobicContact CD1-CD1 4.48Å; F27-I79 HydrophobicContact CD2-CD1 3.95Å; F27-I79 HydrophobicContact CG-CD1 3.7Å; T52-I79 PolarHBondContact O-N 2.86Å; I53-I79 WeakPolarHBondContact CA-O 3.24Å; I53-I79 HydrophobicContact CD1-CB 3.87Å; I53-I79 HydrophobicContact CD1-CD1 3.76Å; I53-I79 HydrophobicContact CD1-CG1 4.27Å; E54-I79 PolarHBondContact N-O 3.39Å; V69-I79 HydrophobicContact CG1-CG2 4.08Å; V73-I79 HydrophobicContact CG2-CG1 4.48Å; I79-C81 PolarHBondContact O-N 2.85Å
80L98.5Very high97.5Very high60 Ų6061.1 Ų61.131%0.31432%0.317SS..EExtended strand (participates in β ladder)trans-78.1104.6166.1-176.762.6000108.4E54 M56 G71 K72 T74E54-L80 HydrophobicContact CB-CD1 4.2Å; M56-L80 HydrophobicContact CG-CD1 4.3Å; M56-L80 HydrophobicContact SD-CD1 3.98Å; M56-L80 HydrophobicContact SD-CD2 4.34Å; G71-L80 CarbonylContact C-O 3.59Å; G71-L80 WeakPolarHBondContact CA-O 3.4Å; K72-L80 PolarHBondContact N-O 3.15Å; K72-L80 PolarHBondContact O-N 3.07Å; T74-L80 HydrophobicContact CG2-CB 3.96Å
81C98Very high97.3Very high7 Ų766.2 Ų66.25%0.04734%0.344CS..EExtended strand (participates in β ladder)trans-71.7136.7-175.5178.10000111.2I53 E54 L55 V69 I79I53-C81 HydrophobicContact CG2-CB 3.62Å; E54-C81 VanDerWaalsContact O-CB 3.3Å; E54-C81 WeakPolarHBondContact O-CB 3.47Å; E54-C81 PolarHBondContact O-N 3.23Å; L55-C81 HydrophobicContact CD2-CB 3.75Å; V69-C81 HydrophobicContact CG1-CB 3.98Å; I79-C81 PolarHBondContact O-N 2.85Å
82T96.3Very high97.2Very high84 Ų8473.3 Ų73.352%0.51538%0.377SS..EExtended strand (participates in β ladder)trans-108.3-35.3171.2-54.50000111.2M4 V70M4-T82 PolarHBondContact SD-OG1 3.37Å; V70-T82 PolarHBondContact O-N 3.39Å
83S95.9Very high97.1Very high40 Ų4075 Ų7528%0.2840%0.395SS..EExtended strand (participates in β ladder)trans-154.4152.9175.461.10000110.4V70V70-S83 PolarHBondContact N-O 2.86Å; V70-S83 PolarHBondContact O-N 2.84Å
84Y97.3Very high97.1Very high50 Ų5077.9 Ų77.920%0.19641%0.408CS..EExtended strand (participates in β ladder)trans-138.3158.7173.160.4-99000111L55 L59 E61 I63 M67 E68L55-Y84 HydrophobicContact CD2-CD1 4.31Å; L55-Y84 HydrophobicContact CD2-CE1 4.28Å; L59-Y84 HydrophobicContact CD2-CE1 3.82Å; L59-Y84 WeakPolarHBondContact CD2-OH 3.27Å; E61-Y84 WeakPolarHBondContact OE1-CE2 3.46Å; I63-Y84 HydrophobicContact CG2-CE2 3.86Å; M67-Y84 HydrophobicContact CE-CD2 3.35Å; M67-Y84 HydrophobicContact CE-CE2 4.08Å; M67-Y84 HydrophobicContact CE-CG 3.93Å; E68-Y84 CarbonylContact O-C 3.5Å; E68-Y84 WeakPolarHBondContact O-CA 3.43Å; E68-Y84 WeakPolarHBondContact O-CB 3.32Å
85V97.6Very high97.1Very high83 Ų8381.3 Ų81.350%0.50343%0.425SS..EExtended strand (participates in β ladder)trans-137.6133.7173.9176.60000108.9M67 E68M67-V85 WeakPolarHBondContact CA-O 3.41Å; E68-V85 PolarHBondContact N-O 3.47Å; E68-V85 PolarHBondContact O-N 3.08Å
86Q97.9Very high97.1Very high82 Ų8276.1 Ų76.138%0.38339%0.393SS..EExtended strand (participates in β ladder)trans-83129.1170.5-172.9171.8-42.600110.3S64 M67S64-Q86 VanDerWaalsContact N-OE1 3.07Å; S64-Q86 VanDerWaalsContact O-CG 3.31Å; S64-Q86 WeakPolarHBondContact O-CG 3.48Å; S64-Q86 PolarHBondContact O-NE2 2.59Å; S64-Q86 PolarHBondContact O-OE1 2.83Å; S64-Q86 PolarHBondContact OG-NE2 2.82Å; M67-Q86 HydrophobicContact CE-CB 4.49Å; M67-Q86 HydrophobicContact SD-CB 3.64Å; M67-Q86 HydrophobicContact SD-CG 3.84Å
87F97.9Very high97.2Very high48 Ų4869.6 Ų69.621%0.21137%0.374CS..PPolyproline II helixtrans-76.4136.1175.2-76.811.6000110V28 I66 E68 E89 F94V28-F87 HydrophobicContact CG1-CE2 4.11Å; V28-F87 HydrophobicContact CG1-CZ 4.49Å; V28-F87 HydrophobicContact CG2-CZ 4.38Å; I66-F87 HydrophobicContact CB-CB 4.11Å; I66-F87 HydrophobicContact CG2-CB 4.08Å; I66-F87 HydrophobicContact CG2-CD2 3.66Å; I66-F87 HydrophobicContact CG2-CE2 4.35Å; I66-F87 HydrophobicContact CG2-CG 4.01Å; I66-F87 PolarHBondContact O-N 2.96Å; E68-F87 HydrophobicContact CB-CD1 4.38Å; E68-F87 HydrophobicContact CB-CE1 3.54Å; E68-F87 HydrophobicContact CB-CZ 3.92Å; E68-F87 HydrophobicContact CG-CE1 4.49Å; F87-E89 PolarHBondContact O-N 3.44Å; F87-F94 AromaticContact CD2-CD2 3.73Å; F87-F94 HydrophobicContact CD2-CD2 3.73Å; F87-F94 HydrophobicContact CD2-CE1 4.5Å; F87-F94 AromaticContact CD2-CE2 3.69Å; F87-F94 HydrophobicContact CD2-CE2 3.69Å; F87-F94 HydrophobicContact CD2-CG 4.16Å; F87-F94 HydrophobicContact CD2-CZ 4.09Å; F87-F94 HydrophobicContact CE2-CD2 4.14Å; F87-F94 HydrophobicContact CE2-CE1 4.43Å; F87-F94 AromaticContact CE2-CE2 3.59Å; F87-F94 HydrophobicContact CE2-CE2 3.59Å; F87-F94 AromaticContact CE2-CZ 3.76Å; F87-F94 HydrophobicContact CE2-CZ 3.76Å
88K96Very high97.2Very high183 Ų18373.5 Ų73.580%0.79639%0.389SS*.PPolyproline II helixtrans-74.3122174.3-67.7-174.9177.8-176.40109.5
89E94.7Very high97.2Very high57 Ų5774.5 Ų74.527%0.26639%0.392SS..  trans-115.416.5176.6-61.3-170.593.200111.9R30 I66 F87 H92 F94R30-E89 IonicContact NH1-OE2 2.76Å; R30-E89 PolarHBondContact NH1-OE2 3.32Å; R30-E89 IonicContact NH2-OE1 2.88Å; R30-E89 PolarHBondContact NH2-OE1 3.24Å; R30-E89 IonicContact NH2-OE2 3.92Å; I66-E89 PolarHBondContact N-OE2 2.9Å; F87-E89 PolarHBondContact O-N 3.44Å; E89-H92 WeakPolarHBondContact CA-O 3.48Å; E89-F94 HydrophobicContact CG-CB 4.32Å; E89-F94 PolarHBondContact OE1-N 2.92Å; E89-F94 VanDerWaalsContact OE1-N 3.09Å
90D93.4Very high97.2Very high123 Ų12374.6 Ų74.666%0.65839%0.392SS*.SBendtrans-67.7-37.7-175.162-24.2000113.5
91N94.5Very high97.2Very high120 Ų12076.1 Ų76.164%0.64240%0.398SS*.SBendtrans-97.7-37.7-179.5-65.3-73000112.7
92H96.2Very high97.3Very high149 Ų14977.9 Ų77.969%0.6941%0.413SS*.SBendtrans-143.8133.7-176.9-56.593.4000109.9E89E89-H92 WeakPolarHBondContact CA-O 3.48Å
93P96.9Very high97.4Very high113 Ų11373.9 Ų73.973%0.73439%0.389SS*.  trans-67143.9172.829.2-34000110.3
94F98.3Very high97.5Very high62 Ų6275.1 Ų75.127%0.27239%0.389SS..  trans-85.4122.6178.1-175.4-91000110.9V28 I66 F87 E89 L96 Y99V28-F94 HydrophobicContact CG1-CE1 4.27Å; I66-F94 HydrophobicContact CG1-CB 4.01Å; I66-F94 HydrophobicContact CG1-CD1 4.08Å; I66-F94 HydrophobicContact CG1-CG 4.38Å; I66-F94 HydrophobicContact CG2-CD1 3.93Å; I66-F94 HydrophobicContact CG2-CE1 4.3Å; I66-F94 HydrophobicContact CG2-CG 4.35Å; F87-F94 AromaticContact CD2-CD2 3.73Å; F87-F94 HydrophobicContact CD2-CD2 3.73Å; F87-F94 HydrophobicContact CD2-CE1 4.5Å; F87-F94 AromaticContact CD2-CE2 3.69Å; F87-F94 HydrophobicContact CD2-CE2 3.69Å; F87-F94 HydrophobicContact CD2-CG 4.16Å; F87-F94 HydrophobicContact CD2-CZ 4.09Å; F87-F94 HydrophobicContact CE2-CD2 4.14Å; F87-F94 HydrophobicContact CE2-CE1 4.43Å; F87-F94 AromaticContact CE2-CE2 3.59Å; F87-F94 HydrophobicContact CE2-CE2 3.59Å; F87-F94 AromaticContact CE2-CZ 3.76Å; F87-F94 HydrophobicContact CE2-CZ 3.76Å; E89-F94 HydrophobicContact CG-CB 4.32Å; E89-F94 PolarHBondContact OE1-N 2.92Å; E89-F94 VanDerWaalsContact OE1-N 3.09Å; F94-L96 HydrophobicContact CD1-CB 4.3Å; F94-L96 HydrophobicContact CD1-CD1 4.38Å; F94-L96 HydrophobicContact CE1-CB 4.49Å; F94-L96 HydrophobicContact CE1-CD1 3.98Å; F94-L96 PolarHBondContact O-N 3.14Å; F94-Y99 HydrophobicContact CE1-CD2 4.46Å; F94-Y99 HydrophobicContact CE1-CG 4.06Å; F94-Y99 AromaticContact CZ-CD2 3.9Å; F94-Y99 HydrophobicContact CZ-CD2 3.9Å; F94-Y99 AromaticContact CZ-CG 3.96Å; F94-Y99 HydrophobicContact CZ-CG 3.96Å
95D98.4Very high97.6Very high101 Ų10177.2 Ų77.254%0.5440%0.403SS..  trans-79.289.9176.4-168.7-21.8000110.7G97 L98 Y99D95-G97 VanDerWaalsContact C-N 3.25Å; D95-G97 PolarHBondContact O-N 3.31Å; D95-G97 WeakPolarHBondContact OD1-CA 3.32Å; D95-G97 PolarHBondContact OD1-N 3.32Å; D95-L98 HydrophobicContact CB-CB 3.94Å; D95-L98 VanDerWaalsContact CG-CB 3.46Å; D95-L98 PolarHBondContact O-N 3.19Å; D95-L98 PolarHBondContact OD1-N 3.49Å; D95-Y99 PolarHBondContact O-N 3.21Å
96L98.6Very high97.6Very high18 Ų1874.8 Ų74.89%0.09439%0.386CS..Hα-helixtrans-67.3-26.8179.1-169.664.2000112.6V28 R30 G46 I66 F94 Y99 N100V28-L96 HydrophobicContact CG1-CD1 4Å; R30-L96 HydrophobicContact CB-CD2 4.27Å; G46-L96 WeakPolarHBondContact CA-O 3.39Å; I66-L96 HydrophobicContact CD1-CB 4.41Å; I66-L96 HydrophobicContact CD1-CD2 4.05Å; F94-L96 HydrophobicContact CD1-CB 4.3Å; F94-L96 HydrophobicContact CD1-CD1 4.38Å; F94-L96 HydrophobicContact CE1-CB 4.49Å; F94-L96 HydrophobicContact CE1-CD1 3.98Å; F94-L96 PolarHBondContact O-N 3.14Å; L96-Y99 HydrophobicContact CD1-CD1 4.13Å; L96-N100 PolarHBondContact O-N 3.31Å
97G98.7Very high97.6Very high33 Ų3374 Ų7434%0.3438%0.382SS..Hα-helixtrans-67.8-48.6175.700000111D95 Y99 N100 E101D95-G97 VanDerWaalsContact C-N 3.25Å; D95-G97 PolarHBondContact O-N 3.31Å; D95-G97 WeakPolarHBondContact OD1-CA 3.32Å; D95-G97 PolarHBondContact OD1-N 3.32Å; G97-Y99 VanDerWaalsContact C-N 3.32Å; G97-Y99 PolarHBondContact O-N 3.02Å; G97-N100 WeakPolarHBondContact O-CB 3.46Å; G97-N100 PolarHBondContact O-N 2.92Å; G97-N100 VanDerWaalsContact O-N 3.13Å; G97-E101 PolarHBondContact O-N 2.99Å; G97-E101 VanDerWaalsContact O-N 3.13Å
98L98.8Very high97.6Very high115 Ų11577.8 Ų77.860%0.60240%0.401SS*.Hα-helixtrans-60.6-41.3173.6-179.561.5000111.9D95 N100 E101 A102D95-L98 HydrophobicContact CB-CB 3.94Å; D95-L98 VanDerWaalsContact CG-CB 3.46Å; D95-L98 PolarHBondContact O-N 3.19Å; D95-L98 PolarHBondContact OD1-N 3.49Å; L98-N100 VanDerWaalsContact C-N 3.31Å; L98-N100 PolarHBondContact O-N 3.25Å; L98-E101 PolarHBondContact O-N 3.43Å; L98-A102 PolarHBondContact O-N 3.35Å
99Y98.8Very high97.7Very high35 Ų3572.8 Ų72.814%0.13738%0.379CS..Hα-helixtrans-59.2-41.2173.9174.6-93000112.1R11 V28 F94 D95 L96 G97 E101 A102 V103R11-Y99 PolarHBondContact NH1-OH 2.82Å; V28-Y99 HydrophobicContact CB-CD1 4.15Å; V28-Y99 HydrophobicContact CB-CE1 3.52Å; V28-Y99 HydrophobicContact CB-CE2 4.42Å; V28-Y99 HydrophobicContact CG1-CD1 4.42Å; V28-Y99 HydrophobicContact CG1-CE1 4.26Å; V28-Y99 HydrophobicContact CG2-CE1 3.97Å; V28-Y99 HydrophobicContact CG2-CE2 4.13Å; V28-Y99 VanDerWaalsContact CG2-OH 3.3Å; V28-Y99 WeakPolarHBondContact CG2-OH 3.45Å; F94-Y99 HydrophobicContact CE1-CD2 4.46Å; F94-Y99 HydrophobicContact CE1-CG 4.06Å; F94-Y99 AromaticContact CZ-CD2 3.9Å; F94-Y99 HydrophobicContact CZ-CD2 3.9Å; F94-Y99 AromaticContact CZ-CG 3.96Å; F94-Y99 HydrophobicContact CZ-CG 3.96Å; D95-Y99 PolarHBondContact O-N 3.21Å; L96-Y99 HydrophobicContact CD1-CD1 4.13Å; G97-Y99 VanDerWaalsContact C-N 3.32Å; G97-Y99 PolarHBondContact O-N 3.02Å; Y99-E101 VanDerWaalsContact C-N 3.33Å; Y99-E101 PolarHBondContact O-N 3.27Å; Y99-A102 WeakPolarHBondContact O-CB 3.32Å; Y99-A102 PolarHBondContact O-N 3.45Å; Y99-A102 VanDerWaalsContact O-N 3.12Å; Y99-V103 HydrophobicContact CD1-CG2 4.02Å; Y99-V103 HydrophobicContact CE1-CG2 3.42Å; Y99-V103 VanDerWaalsContact CE1-CG2 3.42Å; Y99-V103 HydrophobicContact CE2-CG2 4.43Å; Y99-V103 WeakPolarHBondContact O-CG2 3.38Å; Y99-V103 PolarHBondContact O-N 3.09Å
100N98.8Very high97.8Very high4 Ų473.6 Ų73.62%0.02139%0.39CS..Hα-helixtrans-64.5-36177.3-179.174.7000112.5N13 E47 L96 G97 L98 A102 V103 K104N13-N100 WeakPolarHBondContact CB-OD1 3.15Å; N13-N100 PolarHBondContact ND2-OD1 3.45Å; E47-N100 WeakPolarHBondContact CG-ND2 3.42Å; E47-N100 PolarHBondContact OE1-ND2 3.45Å; L96-N100 PolarHBondContact O-N 3.31Å; G97-N100 WeakPolarHBondContact O-CB 3.46Å; G97-N100 PolarHBondContact O-N 2.92Å; G97-N100 VanDerWaalsContact O-N 3.13Å; L98-N100 VanDerWaalsContact C-N 3.31Å; L98-N100 PolarHBondContact O-N 3.25Å; N100-A102 VanDerWaalsContact C-N 3.34Å; N100-V103 WeakPolarHBondContact O-CB 3.46Å; N100-V103 PolarHBondContact O-N 2.96Å; N100-K104 WeakPolarHBondContact ND2-CE 3.41Å; N100-K104 PolarHBondContact ND2-NZ 3.12Å; N100-K104 WeakPolarHBondContact O-CG 3.47Å; N100-K104 PolarHBondContact O-N 3.09Å
101E98.8Very high97.8Very high91 Ų9173.5 Ų73.543%0.42539%0.385SS..Hα-helixtrans-63.8-39.4171.2-62.6-51.4118.100111.7G97 L98 Y99 V103 K104 I105G97-E101 PolarHBondContact O-N 2.99Å; G97-E101 VanDerWaalsContact O-N 3.13Å; L98-E101 PolarHBondContact O-N 3.43Å; Y99-E101 VanDerWaalsContact C-N 3.33Å; Y99-E101 PolarHBondContact O-N 3.27Å; E101-V103 VanDerWaalsContact C-N 3.34Å; E101-V103 PolarHBondContact O-N 3.27Å; E101-K104 WeakPolarHBondContact O-CB 3.49Å; E101-K104 PolarHBondContact O-N 2.73Å; E101-K104 IonicContact OE1-NZ 3.35Å; E101-K104 PolarHBondContact OE1-NZ 3.34Å; E101-K104 IonicContact OE2-NZ 3.43Å; E101-I105 WeakPolarHBondContact O-CG1 3.24Å; E101-I105 PolarHBondContact O-N 2.92Å
102A98.8Very high97.9Very high44 Ų4475.6 Ų75.636%0.36439%0.389SS..Hα-helixtrans-62.6-39.3172.700000112.4L98 Y99 N100 K104 I105 I106L98-A102 PolarHBondContact O-N 3.35Å; Y99-A102 WeakPolarHBondContact O-CB 3.32Å; Y99-A102 PolarHBondContact O-N 3.45Å; Y99-A102 VanDerWaalsContact O-N 3.12Å; N100-A102 VanDerWaalsContact C-N 3.34Å; A102-K104 VanDerWaalsContact C-N 3.35Å; A102-K104 PolarHBondContact O-N 3.01Å; A102-I105 PolarHBondContact O-N 3.24Å; A102-I106 WeakPolarHBondContact O-CG1 3.47Å; A102-I106 PolarHBondContact O-N 2.88Å
103V98.7Very high97.9Very high1 Ų174.3 Ų74.31%0.00638%0.379CS..Hα-helixtrans-58.9-45.9172.9172.20000110.6R11 M16 Y99 N100 E101 I105 I106 H107R11-V103 HydrophobicContact CB-CG2 4.38Å; M16-V103 HydrophobicContact CE-CG1 4.28Å; M16-V103 HydrophobicContact SD-CG1 4.15Å; Y99-V103 HydrophobicContact CD1-CG2 4.02Å; Y99-V103 HydrophobicContact CE1-CG2 3.42Å; Y99-V103 VanDerWaalsContact CE1-CG2 3.42Å; Y99-V103 HydrophobicContact CE2-CG2 4.43Å; Y99-V103 WeakPolarHBondContact O-CG2 3.38Å; Y99-V103 PolarHBondContact O-N 3.09Å; N100-V103 WeakPolarHBondContact O-CB 3.46Å; N100-V103 PolarHBondContact O-N 2.96Å; E101-V103 VanDerWaalsContact C-N 3.34Å; E101-V103 PolarHBondContact O-N 3.27Å; V103-I105 PolarHBondContact O-N 3.18Å; V103-I106 WeakPolarHBondContact O-CB 3.47Å; V103-I106 PolarHBondContact O-N 2.93Å; V103-H107 PolarHBondContact O-CD2 3.05Å; V103-H107 PolarHBondContact O-N 2.95Å
104K98.7Very high97.8Very high66 Ų6672.4 Ų72.429%0.28737%0.366SS..Hα-helixtrans-59.2-46.5176.7-68.2170.2-176.8166.80111.8E47 N100 E101 A102 I106 H107 E108E47-K104 WeakPolarHBondContact OE1-CE 3.24Å; E47-K104 IonicContact OE1-NZ 2.73Å; E47-K104 PolarHBondContact OE1-NZ 3.11Å; N100-K104 WeakPolarHBondContact ND2-CE 3.41Å; N100-K104 PolarHBondContact ND2-NZ 3.12Å; N100-K104 WeakPolarHBondContact O-CG 3.47Å; N100-K104 PolarHBondContact O-N 3.09Å; E101-K104 WeakPolarHBondContact O-CB 3.49Å; E101-K104 PolarHBondContact O-N 2.73Å; E101-K104 IonicContact OE1-NZ 3.35Å; E101-K104 PolarHBondContact OE1-NZ 3.34Å; E101-K104 IonicContact OE2-NZ 3.43Å; A102-K104 VanDerWaalsContact C-N 3.35Å; A102-K104 PolarHBondContact O-N 3.01Å; K104-I106 VanDerWaalsContact C-N 3.33Å; K104-I106 PolarHBondContact O-N 3.4Å; K104-H107 PolarHBondContact O-N 3.31Å; K104-H107 VanDerWaalsContact O-N 3.14Å; K104-E108 WeakPolarHBondContact O-CB 3.36Å; K104-E108 PolarHBondContact O-N 3.13Å
105I98.7Very high97.6Very high94 Ų9474.3 Ų74.348%0.48238%0.379SS..Hα-helixtrans-59.8-41.5177.9-68.7168.2000111.5E101 A102 V103 H107 E108 F109E101-I105 WeakPolarHBondContact O-CG1 3.24Å; E101-I105 PolarHBondContact O-N 2.92Å; A102-I105 PolarHBondContact O-N 3.24Å; V103-I105 PolarHBondContact O-N 3.18Å; I105-H107 VanDerWaalsContact C-N 3.26Å; I105-H107 PolarHBondContact O-N 3Å; I105-E108 PolarHBondContact O-N 3.42Å; I105-F109 HydrophobicContact CG2-CD2 3.93Å; I105-F109 WeakPolarHBondContact O-CD2 3.48Å; I105-F109 PolarHBondContact O-N 3.13Å
106I98.5Very high97Very high31 Ų3171 Ų7116%0.15937%0.368CS..Hα-helixtrans-55.7-42.9176.6-75.4164.4000111.3R11 A102 V103 K104 Y113R11-I106 HydrophobicContact CB-CD1 4.36Å; A102-I106 WeakPolarHBondContact O-CG1 3.47Å; A102-I106 PolarHBondContact O-N 2.88Å; V103-I106 WeakPolarHBondContact O-CB 3.47Å; V103-I106 PolarHBondContact O-N 2.93Å; K104-I106 VanDerWaalsContact C-N 3.33Å; K104-I106 PolarHBondContact O-N 3.4Å; I106-Y113 HydrophobicContact CB-CD1 4.28Å; I106-Y113 HydrophobicContact CD1-CD1 4.36Å; I106-Y113 HydrophobicContact CD1-CE1 4.1Å; I106-Y113 HydrophobicContact CD1-CE2 4.48Å; I106-Y113 HydrophobicContact CG1-CD1 3.94Å; I106-Y113 HydrophobicContact CG1-CD2 4.24Å; I106-Y113 HydrophobicContact CG1-CE1 4.19Å; I106-Y113 HydrophobicContact CG1-CE2 4.48Å; I106-Y113 HydrophobicContact CG1-CG 3.95Å; I106-Y113 HydrophobicContact CG2-CD1 3.51Å; I106-Y113 HydrophobicContact CG2-CE1 3.99Å; I106-Y113 HydrophobicContact CG2-CG 4.16Å
107H97.8Very high96.1Very high66 Ų6677.7 Ų77.731%0.30640%0.403SS..Hα-helixtrans-82.1-26.1179.9-70.2-78.3000113.5R11 M16 F20 V103 K104 I105R11-H107 PolarHBondContact O-NE2 3.23Å; M16-H107 HydrophobicContact CE-CB 4.36Å; M16-H107 VanDerWaalsContact SD-CD2 3.57Å; F20-H107 AromaticContact CZ-CE1 3.47Å; F20-H107 VanDerWaalsContact CZ-CE1 3.47Å; F20-H107 WeakPolarHBondContact CZ-CE1 3.43Å; V103-H107 PolarHBondContact O-CD2 3.05Å; V103-H107 PolarHBondContact O-N 2.95Å; K104-H107 PolarHBondContact O-N 3.31Å; K104-H107 VanDerWaalsContact O-N 3.14Å; I105-H107 VanDerWaalsContact C-N 3.26Å; I105-H107 PolarHBondContact O-N 3Å
108E98.3Very high94.5Very high128 Ų12880.4 Ų80.460%0.59841%0.412SS*.Hα-helixtrans-73.4-32.9175.1-170.7176.7177.600111.9K104 I105 P110K104-E108 WeakPolarHBondContact O-CB 3.36Å; K104-E108 PolarHBondContact O-N 3.13Å; I105-E108 PolarHBondContact O-N 3.42Å; E108-P110 VanDerWaalsContact C-CD 3.42Å; E108-P110 WeakPolarHBondContact O-CD 3.5Å
109F97.4Very high92Very high78 Ų7883 Ų8334%0.34242%0.422SS..  trans-12659-175.4-57-79.8000114I105 Q111 F112 Y113I105-F109 HydrophobicContact CG2-CD2 3.93Å; I105-F109 WeakPolarHBondContact O-CD2 3.48Å; I105-F109 PolarHBondContact O-N 3.13Å; F109-Q111 VanDerWaalsContact C-OE1 3.23Å; F109-Q111 PolarHBondContact O-N 3.44Å; F109-Q111 VanDerWaalsContact O-N 3.11Å; F109-F112 HydrophobicContact CB-CD2 3.98Å; F109-F112 HydrophobicContact CD1-CD2 4.46Å; F109-F112 PolarHBondContact O-N 2.88Å; F109-Y113 PolarHBondContact O-N 3.41Å
110P95.9Very high89.5Confident74 Ų7489.4 Ų89.448%0.48145%0.452SS..THydrogen-bonded Turntrans-62.9-22.7-175.427.2-36.3000113.9E108 F112 Y113 P114E108-P110 VanDerWaalsContact C-CD 3.42Å; E108-P110 WeakPolarHBondContact O-CD 3.5Å; P110-F112 PolarHBondContact O-N 3.04Å; P110-Y113 CarbonylContact O-C 3.16Å; P110-Y113 PolarHBondContact O-N 3.44Å; P110-P114 WeakPolarHBondContact O-CA 3.46Å
111Q94.9Very high86.7Confident120 Ų120100 Ų10056%0.56151%0.509SS*.THydrogen-bonded Turntrans-65.2-23.7174.970.1-81.517.600113.4F109F109-Q111 VanDerWaalsContact C-OE1 3.23Å; F109-Q111 PolarHBondContact O-N 3.44Å; F109-Q111 VanDerWaalsContact O-N 3.11Å
112F96.6Very high86.1Confident165 Ų165100.5 Ų100.572%0.72451%0.513SS*.THydrogen-bonded Turntrans-102.7-12.3177.5-57.2-53.2000112.5F109 P110F109-F112 HydrophobicContact CB-CD2 3.98Å; F109-F112 HydrophobicContact CD1-CD2 4.46Å; F109-F112 PolarHBondContact O-N 2.88Å; P110-F112 PolarHBondContact O-N 3.04Å
113Y96.4Very high85.4Confident121 Ų121103.5 Ų103.548%0.47552%0.521SS..SBendtrans-133.170.1173.3-160.4-88.7000110.2I106 F109 P110I106-Y113 HydrophobicContact CB-CD1 4.28Å; I106-Y113 HydrophobicContact CD1-CD1 4.36Å; I106-Y113 HydrophobicContact CD1-CE1 4.1Å; I106-Y113 HydrophobicContact CD1-CE2 4.48Å; I106-Y113 HydrophobicContact CG1-CD1 3.94Å; I106-Y113 HydrophobicContact CG1-CD2 4.24Å; I106-Y113 HydrophobicContact CG1-CE1 4.19Å; I106-Y113 HydrophobicContact CG1-CE2 4.48Å; I106-Y113 HydrophobicContact CG1-CG 3.95Å; I106-Y113 HydrophobicContact CG2-CD1 3.51Å; I106-Y113 HydrophobicContact CG2-CE1 3.99Å; I106-Y113 HydrophobicContact CG2-CG 4.16Å; F109-Y113 PolarHBondContact O-N 3.41Å; P110-Y113 CarbonylContact O-C 3.16Å; P110-Y113 PolarHBondContact O-N 3.44Å
114P94.7Very high84.7Confident74 Ų74109.2 Ų109.248%0.48155%0.55SS..  trans-66.9138.8-17627.1-34.4000111.4P110 G116 V118P110-P114 WeakPolarHBondContact O-CA 3.46Å; P114-G116 PolarHBondContact O-N 3.05Å; P114-V118 HydrophobicContact CB-CG2 4.24Å
115L92.3Very high83.8Confident102 Ų102111.7 Ų111.753%0.53457%0.565SS.*SBendtrans-88.199.3174.3-175.971.8000109.9P8 S10P8-L115 HydrophobicContact CB-CD1 3.61Å; P8-L115 HydrophobicContact CB-CG 3.7Å; S10-L115 WeakPolarHBondContact OG-CD2 2.96Å
116G86.9Confident82.9Confident31 Ų31112.8 Ų112.832%0.3257%0.571SS.*SBendtrans78.1-173.5-177.600000113.3P8 P114 V118P8-G116 VanDerWaalsContact CG-CA 3.45Å; P114-G116 PolarHBondContact O-N 3.05Å; G116-V118 PolarHBondContact O-N 3.06Å
117I80.4Confident81.9Confident159 Ų159118.3 Ų118.382%0.81560%0.598SS**  trans-78.3119.4178.4-55.2173.9000107.9Q119I117-Q119 PolarHBondContact O-N 2.76Å; I117-Q119 VanDerWaalsContact O-N 3.1Å
118V63.6Low80.7Confident89 Ų89122 Ų12254%0.53962%0.619SS.*  trans-68.1105.3167.8-173.90000106.7P114 G116 H120P114-V118 HydrophobicContact CB-CG2 4.24Å; G116-V118 PolarHBondContact O-N 3.06Å; V118-H120 PolarHBondContact O-N 2.88Å; V118-H120 VanDerWaalsContact O-N 3.08Å
119Q48.1Very low79.4Confident171 Ų171121.5 Ų121.580%0.79962%0.62SS**  trans-67.3107165.7-82-179.3-11.300107I117I117-Q119 PolarHBondContact O-N 2.76Å; I117-Q119 VanDerWaalsContact O-N 3.1Å
120H44.5Very low77.9Confident169 Ų169125.2 Ų125.278%0.78264%0.644SS**  trans-79.8113159.7-71.4-75.4000106.3V118V118-H120 PolarHBondContact O-N 2.88Å; V118-H120 VanDerWaalsContact O-N 3.08Å
121D40.3Very low76.2Confident227 Ų227129.8 Ų129.8100%1.21466%0.658SS**  trans-61.90165.5-74.9-31.9000111

Retrieved 121 of 121 residues in 201.1 ms (Link to these results)

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