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Signal transducing adaptor molecule 2

Involved in intracellular signal transduction mediated by cytokines and growth factors. Upon IL-2 and GM-CSL stimulation, it plays a role in signaling leading to DNA synthesis and MYC induction. May also play a role in T-cell development. Involved in down-regulation of receptor tyrosine kinase via multivesicular body (MVBs) when complexed with HGS (ESCRT-0 complex). The ESCRT-0 complex binds ubiquitin and acts as a sorting machinery that recognizes ubiquitinated receptors and transfers them to further sequential lysosomal sorting/trafficking processes.

AlphaFold DB , UniProt , Accession A0A096NXW7, Species PAPAN (Papio anubis, Olive baboon), Gene STAM2, Length 525 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
1M46.7Very low77.4Confident223 Ų223110.5 Ų110.5100%1.09960%0.604SS**  0119.90-64.2-79.5-95.300107.2
2P55.6Low78.9Confident99 Ų99104.6 Ų104.664%0.64357%0.571SS**  trans-70.4132173.730.5-33.3000109.9F4P2-F4 VanDerWaalsContact C-N 3.29Å; P2-F4 HydrophobicContact CB-CD2 3.72Å; P2-F4 HydrophobicContact CB-CE2 3.63Å; P2-F4 HydrophobicContact CG-CD2 4Å; P2-F4 HydrophobicContact CG-CE2 4.11Å; P2-F4 PolarHBondContact O-N 2.97Å
3L62.3Low80.2Confident179 Ų17996.6 Ų96.694%0.93753%0.527SS*.  trans-83.269.9-179.9-69.5169.1000110.6
4F74.4Confident81.3Confident184 Ų18495.3 Ų95.381%0.80752%0.516SS*.PPolyproline II helixtrans-88.2117.1168.6-70.3-68.8000109.7P2 A6P2-F4 VanDerWaalsContact C-N 3.29Å; P2-F4 HydrophobicContact CB-CD2 3.72Å; P2-F4 HydrophobicContact CB-CE2 3.63Å; P2-F4 HydrophobicContact CG-CD2 4Å; P2-F4 HydrophobicContact CG-CE2 4.11Å; P2-F4 PolarHBondContact O-N 2.97Å; F4-A6 PolarHBondContact O-N 2.98Å
5T73.6Confident82.2Confident138 Ų13896.9 Ų96.985%0.84752%0.516SS*.PPolyproline II helixtrans-70.7124.5164.9-171.30000108.4N7T5-N7 PolarHBondContact O-N 2.73Å
6A79.1Confident83.1Confident93 Ų9391.5 Ų91.577%0.76949%0.489SS*.PPolyproline II helixtrans-77.7120179.200000109.1F4F4-A6 PolarHBondContact O-N 2.98Å
7N88.3Confident83.8Confident23 Ų2386.1 Ų86.112%0.12346%0.46CS..PPolyproline II helixtrans-76.7126173.4166.9-7.4000108.5T5 F9 E10 D45T5-N7 PolarHBondContact O-N 2.73Å; N7-F9 PolarHBondContact O-N 3Å; N7-F9 PolarHBondContact OD1-N 3.09Å; N7-E10 HydrophobicContact CB-CG 3.69Å; N7-E10 PolarHBondContact O-N 2.68Å; N7-E10 VanDerWaalsContact O-N 3.09Å; N7-D45 PolarHBondContact ND2-O 2.96Å
8P90Very high84.4Confident67 Ų6784.3 Ų84.344%0.43545%0.45SS..THydrogen-bonded Turntrans-66-9.3-173.227.3-35.6000114.5K35P8-K35 PolarHBondContact O-NZ 3.34Å
9F94.1Very high84.9Confident0 Ų084.6 Ų84.60%045%0.449CS..THydrogen-bonded Turntrans-97.7-15.6175.8-63.7-88.8000113.7N7 Q11 D12 V13 I32 K35 V36 T39 G42 D45 C46 A49N7-F9 PolarHBondContact O-N 3Å; N7-F9 PolarHBondContact OD1-N 3.09Å; F9-Q11 PolarHBondContact O-N 2.91Å; F9-D12 PolarHBondContact O-N 2.95Å; F9-V13 HydrophobicContact CB-CG2 4.11Å; F9-V13 VanDerWaalsContact O-CB 3.23Å; F9-V13 WeakPolarHBondContact O-CB 3.44Å; F9-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 PolarHBondContact O-N 2.82Å; F9-I32 HydrophobicContact CD1-CG2 4.39Å; F9-K35 HydrophobicContact CD1-CD 4.1Å; F9-K35 HydrophobicContact CD1-CG 4.45Å; F9-K35 HydrophobicContact CE1-CB 3.94Å; F9-K35 HydrophobicContact CE1-CD 3.81Å; F9-K35 HydrophobicContact CE1-CG 3.67Å; F9-K35 HydrophobicContact CZ-CD 4.47Å; F9-K35 HydrophobicContact CZ-CG 4.08Å; F9-V36 HydrophobicContact CD1-CG2 4.32Å; F9-V36 HydrophobicContact CE1-CB 4.49Å; F9-V36 HydrophobicContact CE1-CG2 3.64Å; F9-V36 HydrophobicContact CZ-CG2 4.08Å; F9-T39 HydrophobicContact CE2-CG2 4.29Å; F9-T39 HydrophobicContact CZ-CG2 4.36Å; F9-G42 WeakPolarHBondContact CE2-O 3.16Å; F9-D45 HydrophobicContact CD2-CB 3.95Å; F9-D45 HydrophobicContact CE2-CB 4.23Å; F9-C46 HydrophobicContact CB-CB 4.37Å; F9-C46 HydrophobicContact CD1-CB 3.8Å; F9-C46 HydrophobicContact CD2-CB 4.1Å; F9-C46 HydrophobicContact CE1-CB 4.09Å; F9-C46 HydrophobicContact CE2-CB 4.4Å; F9-C46 HydrophobicContact CG-CB 3.81Å; F9-C46 HydrophobicContact CZ-CB 4.39Å; F9-A49 HydrophobicContact CB-CB 4.27Å
10E93.3Very high85.3Confident53 Ų5389.6 Ų89.625%0.24846%0.462CS..Hα-helixtrans-53.6-50-175.4-75.8-104-178.800111.9N7 D12 V13 E14 K52N7-E10 HydrophobicContact CB-CG 3.69Å; N7-E10 PolarHBondContact O-N 2.68Å; N7-E10 VanDerWaalsContact O-N 3.09Å; E10-D12 PolarHBondContact O-N 3.23Å; E10-V13 PolarHBondContact O-N 3.07Å; E10-E14 VanDerWaalsContact O-CB 3.32Å; E10-E14 WeakPolarHBondContact O-CB 3.42Å; E10-E14 VanDerWaalsContact O-CG 3.23Å; E10-E14 WeakPolarHBondContact O-CG 3.39Å; E10-E14 PolarHBondContact O-N 3.39Å; E10-K52 WeakPolarHBondContact OE1-CD 3.18Å; E10-K52 IonicContact OE1-NZ 2.64Å; E10-K52 PolarHBondContact OE1-NZ 3.21Å; E10-K52 IonicContact OE2-NZ 2.71Å; E10-K52 PolarHBondContact OE2-NZ 3.1Å
11Q94Very high85.6Confident157 Ų15787.3 Ų87.373%0.73445%0.451SS*.Hα-helixtrans-61.7-45.2-175.4-176.8174.3-6.600113.2F9 K15F9-Q11 PolarHBondContact O-N 2.91Å; Q11-K15 WeakPolarHBondContact O-CB 3.36Å; Q11-K15 PolarHBondContact O-N 3.37Å
12D95.2Very high87.7Confident39 Ų3981.8 Ų81.821%0.20943%0.43CS..Hα-helixtrans-73.7-40.2-178-53.7-40000110.7F9 E10 K15 A16 L28 I32 K35F9-D12 PolarHBondContact O-N 2.95Å; E10-D12 PolarHBondContact O-N 3.23Å; D12-K15 PolarHBondContact O-N 3.29Å; D12-A16 WeakPolarHBondContact O-CB 3.45Å; D12-A16 PolarHBondContact O-N 2.93Å; D12-L28 HydrophobicContact CB-CD1 4.41Å; D12-I32 HydrophobicContact CB-CD1 3.99Å; D12-I32 HydrophobicContact CB-CG1 3.79Å; D12-K35 IonicContact OD2-NZ 2.77Å; D12-K35 PolarHBondContact OD2-NZ 2.84Å
13V96.3Very high89.4Confident1 Ų181.2 Ų81.21%0.00643%0.425CS..Hα-helixtrans-64.3-39.5175.1171.90000111.2F9 E10 T17 I32 A49 I50 R53 L68F9-V13 HydrophobicContact CB-CG2 4.11Å; F9-V13 VanDerWaalsContact O-CB 3.23Å; F9-V13 WeakPolarHBondContact O-CB 3.44Å; F9-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 PolarHBondContact O-N 2.82Å; E10-V13 PolarHBondContact O-N 3.07Å; V13-T17 WeakPolarHBondContact O-CB 3.2Å; V13-T17 WeakPolarHBondContact O-CG2 3.36Å; V13-T17 PolarHBondContact O-N 2.8Å; V13-T17 PolarHBondContact O-OG1 3.07Å; V13-I32 HydrophobicContact CG2-CD1 4.4Å; V13-A49 HydrophobicContact CB-CB 4.23Å; V13-A49 HydrophobicContact CG1-CB 4.18Å; V13-A49 HydrophobicContact CG2-CB 4.09Å; V13-I50 HydrophobicContact CG1-CG1 4.27Å; V13-I50 HydrophobicContact CG2-CG1 4.37Å; V13-R53 HydrophobicContact CG1-CG 3.83Å; V13-L68 HydrophobicContact CB-CD2 4.49Å; V13-L68 HydrophobicContact CG1-CD2 4.22Å; V13-L68 HydrophobicContact CG2-CD2 4.1Å
14E95.4Very high90.8Very high78 Ų7877.1 Ų77.136%0.36440%0.401SS..Hα-helixtrans-67.7-34.1174.1-72.8-160142.300112.7E10 T17 N18 R53E10-E14 VanDerWaalsContact O-CB 3.32Å; E10-E14 WeakPolarHBondContact O-CB 3.42Å; E10-E14 VanDerWaalsContact O-CG 3.23Å; E10-E14 WeakPolarHBondContact O-CG 3.39Å; E10-E14 PolarHBondContact O-N 3.39Å; E14-T17 CarbonylContact O-C 3.54Å; E14-N18 WeakPolarHBondContact O-CB 3.39Å; E14-N18 PolarHBondContact O-N 2.73Å; E14-R53 IonicContact OE1-NH1 2.7Å; E14-R53 PolarHBondContact OE1-NH1 2.83Å
15K95.4Very high91.7Very high120 Ų12071.5 Ų71.552%0.52238%0.379SS..Hα-helixtrans-70.4-42.8174.4-172.3-172174.5-150.70111.8Q11 D12 N21 L28Q11-K15 WeakPolarHBondContact O-CB 3.36Å; Q11-K15 PolarHBondContact O-N 3.37Å; D12-K15 PolarHBondContact O-N 3.29Å; K15-N21 PolarHBondContact O-ND2 3.48Å; K15-L28 HydrophobicContact CB-CD2 3.88Å; K15-L28 HydrophobicContact CD-CD2 3.71Å; K15-L28 HydrophobicContact CG-CD2 3.67Å
16A95.4Very high92.8Very high10 Ų1071.1 Ų71.18%0.08336%0.362CS..Hα-helixtrans-67.5-35.9176.400000112.6D12 N21 L28 I32 L68D12-A16 WeakPolarHBondContact O-CB 3.45Å; D12-A16 PolarHBondContact O-N 2.93Å; A16-N21 PolarHBondContact O-ND2 2.99Å; A16-N21 VanDerWaalsContact O-ND2 3.08Å; A16-L28 HydrophobicContact CB-CD2 3.85Å; A16-L28 HydrophobicContact CB-CG 4.15Å; A16-I32 HydrophobicContact CB-CD1 3.89Å; A16-L68 HydrophobicContact CB-CD2 4.35Å
17T96.2Very high93.6Very high0 Ų070.6 Ų70.60%035%0.354CS..THydrogen-bonded Turntrans-103.737.2-178.467.90000112.2V13 E14 R53 V61 Q64 A65 L68V13-T17 WeakPolarHBondContact O-CB 3.2Å; V13-T17 WeakPolarHBondContact O-CG2 3.36Å; V13-T17 PolarHBondContact O-N 2.8Å; V13-T17 PolarHBondContact O-OG1 3.07Å; E14-T17 CarbonylContact O-C 3.54Å; T17-R53 PolarHBondContact O-NH2 2.88Å; T17-R53 WeakPolarHBondContact OG1-CG 3.32Å; T17-R53 PolarHBondContact OG1-NE 3.11Å; T17-V61 WeakPolarHBondContact O-CG1 3.34Å; T17-V61 WeakPolarHBondContact O-CG2 3.22Å; T17-Q64 HydrophobicContact CG2-CB 4.14Å; T17-A65 HydrophobicContact CG2-CB 3.85Å; T17-L68 HydrophobicContact CG2-CD2 4.33Å
18N94.9Very high94Very high53 Ų5370 Ų7028%0.28335%0.35SS..  trans-82.3140.2-178.2-158-47.8000111.3E14 Y20 N21 Q64E14-N18 WeakPolarHBondContact O-CB 3.39Å; E14-N18 PolarHBondContact O-N 2.73Å; N18-Y20 PolarHBondContact O-N 2.91Å; N18-Y20 WeakPolarHBondContact OD1-CD2 3.32Å; N18-Y20 PolarHBondContact OD1-N 3.47Å; N18-N21 PolarHBondContact N-ND2 3Å; N18-N21 WeakPolarHBondContact O-CB 3.13Å; N18-N21 PolarHBondContact O-N 2.98Å; N18-N21 VanDerWaalsContact O-N 3.13Å; N18-Q64 PolarHBondContact O-NE2 2.8Å; N18-Q64 VanDerWaalsContact O-NE2 3.08Å; N18-Q64 PolarHBondContact O-OE1 2.79Å
19E93.4Very high94.3Very high90 Ų9067.2 Ų67.242%0.42133%0.331SS..THydrogen-bonded Turntrans-64.4-22.7-18068.1-171.6155.600113.4V61E19-V61 HydrophobicContact CB-CG2 3.83Å
20Y92.9Very high94.4Very high184 Ų18470.4 Ų70.472%0.72235%0.347SS*.THydrogen-bonded Turntrans-84.3-9.5176.3-58.1-71.9000114.2N18 T22N18-Y20 PolarHBondContact O-N 2.91Å; N18-Y20 WeakPolarHBondContact OD1-CD2 3.32Å; N18-Y20 PolarHBondContact OD1-N 3.47Å; Y20-T22 PolarHBondContact O-N 3.16Å
21N92.2Very high94.6Very high43 Ų4372.2 Ų72.223%0.2336%0.359CS..  trans-72.9123.2179.4-61-10000109.6K15 A16 N18 H60K15-N21 PolarHBondContact O-ND2 3.48Å; A16-N21 PolarHBondContact O-ND2 2.99Å; A16-N21 VanDerWaalsContact O-ND2 3.08Å; N18-N21 PolarHBondContact N-ND2 3Å; N18-N21 WeakPolarHBondContact O-CB 3.13Å; N18-N21 PolarHBondContact O-N 2.98Å; N18-N21 VanDerWaalsContact O-N 3.13Å; N21-H60 PolarHBondContact O-NE2 2.98Å
22T89.9Confident94.7Very high106 Ų10664.8 Ų64.865%0.6532%0.324SS*.SBendtrans-81.3-23.7179.747.20000113.5Y20Y20-T22 PolarHBondContact O-N 3.16Å
23T91.3Very high94.8Very high88 Ų8863.3 Ų63.354%0.5432%0.316SS..SBendtrans-141.5167.5-17955.20000110.5D25T23-D25 PolarHBondContact O-N 3.02Å
24E92.1Very high94.7Very high93 Ų9368.5 Ų68.544%0.43534%0.344SS..  trans-70.4117.8171.4-67.374-166.500111.6W26 I29 T67E24-W26 VanDerWaalsContact C-N 3.32Å; E24-W26 PolarHBondContact O-N 2.81Å; E24-I29 HydrophobicContact CB-CD1 4.29Å; E24-T67 HydrophobicContact CG-CG2 4.21Å
25D93.1Very high94.7Very high65 Ų6567.9 Ų67.935%0.34834%0.34SS..  trans-78.382.6170.2-175.6-11000109.4T23 S27 L28 I29T23-D25 PolarHBondContact O-N 3.02Å; D25-S27 PolarHBondContact O-N 3.44Å; D25-S27 WeakPolarHBondContact OD1-CB 3.24Å; D25-S27 PolarHBondContact OD1-N 2.85Å; D25-L28 HydrophobicContact CB-CB 4.12Å; D25-L28 VanDerWaalsContact CG-CB 3.44Å; D25-L28 PolarHBondContact O-N 3.04Å; D25-L28 PolarHBondContact OD1-N 3.4Å; D25-L28 WeakPolarHBondContact OD2-CB 3.4Å; D25-I29 WeakPolarHBondContact O-CG1 3.41Å; D25-I29 PolarHBondContact O-N 2.84Å
26W96.6Very high94.8Very high130 Ų13062.2 Ų62.249%0.49232%0.316SS..Hα-helixtrans-62.4-27.2-178.9-77.6104.4000113.6E24 I29 M30 T67 A71E24-W26 VanDerWaalsContact C-N 3.32Å; E24-W26 PolarHBondContact O-N 2.81Å; W26-I29 HydrophobicContact CD2-CD1 4.23Å; W26-I29 HydrophobicContact CE3-CB 4.26Å; W26-I29 HydrophobicContact CE3-CD1 4.09Å; W26-I29 HydrophobicContact CE3-CG2 3.93Å; W26-I29 HydrophobicContact CZ3-CD1 4.46Å; W26-I29 HydrophobicContact CZ3-CG2 4.02Å; W26-I29 PolarHBondContact O-N 3.08Å; W26-M30 HydrophobicContact CE3-CE 3.75Å; W26-M30 HydrophobicContact CZ3-CE 3.87Å; W26-M30 WeakPolarHBondContact O-CG 3.36Å; W26-M30 PolarHBondContact O-N 2.85Å; W26-T67 HydrophobicContact CH2-CG2 4.14Å; W26-T67 HydrophobicContact CZ2-CG2 4.18Å; W26-A71 HydrophobicContact CZ3-CB 4.03Å
27S96Very high94.5Very high83 Ų8364.2 Ų64.258%0.5834%0.337SS*.Hα-helixtrans-62.6-52.6173.3-168.10000109.9D25 I29 M30 D31D25-S27 PolarHBondContact O-N 3.44Å; D25-S27 WeakPolarHBondContact OD1-CB 3.24Å; D25-S27 PolarHBondContact OD1-N 2.85Å; S27-I29 VanDerWaalsContact C-N 3.31Å; S27-I29 PolarHBondContact O-N 2.88Å; S27-M30 PolarHBondContact O-N 2.97Å; S27-D31 VanDerWaalsContact O-CG 3.31Å; S27-D31 PolarHBondContact O-N 2.59Å
28L96.4Very high94.3Very high10 Ų1069 Ų695%0.05237%0.371CS..Hα-helixtrans-65.6-32.9178.6-178.361.5000112.8D12 K15 A16 D25 I32D12-L28 HydrophobicContact CB-CD1 4.41Å; K15-L28 HydrophobicContact CB-CD2 3.88Å; K15-L28 HydrophobicContact CD-CD2 3.71Å; K15-L28 HydrophobicContact CG-CD2 3.67Å; A16-L28 HydrophobicContact CB-CD2 3.85Å; A16-L28 HydrophobicContact CB-CG 4.15Å; D25-L28 HydrophobicContact CB-CB 4.12Å; D25-L28 VanDerWaalsContact CG-CB 3.44Å; D25-L28 PolarHBondContact O-N 3.04Å; D25-L28 PolarHBondContact OD1-N 3.4Å; D25-L28 WeakPolarHBondContact OD2-CB 3.4Å; L28-I32 HydrophobicContact CG-CD1 4.27Å; L28-I32 WeakPolarHBondContact O-CD1 3.38Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.41Å; L28-I32 PolarHBondContact O-N 3.18Å; L28-I32 VanDerWaalsContact O-N 3.1Å
29I97.1Very high94.1Very high8 Ų868.6 Ų68.64%0.04137%0.37CS..Hα-helixtrans-62.3-44.1174.2-71166.5000110.6E24 D25 W26 S27 I32 C33 L68 A71E24-I29 HydrophobicContact CB-CD1 4.29Å; D25-I29 WeakPolarHBondContact O-CG1 3.41Å; D25-I29 PolarHBondContact O-N 2.84Å; W26-I29 HydrophobicContact CD2-CD1 4.23Å; W26-I29 HydrophobicContact CE3-CB 4.26Å; W26-I29 HydrophobicContact CE3-CD1 4.09Å; W26-I29 HydrophobicContact CE3-CG2 3.93Å; W26-I29 HydrophobicContact CZ3-CD1 4.46Å; W26-I29 HydrophobicContact CZ3-CG2 4.02Å; W26-I29 PolarHBondContact O-N 3.08Å; S27-I29 VanDerWaalsContact C-N 3.31Å; S27-I29 PolarHBondContact O-N 2.88Å; I29-I32 PolarHBondContact O-N 3.27Å; I29-C33 PolarHBondContact O-N 2.81Å; I29-C33 VanDerWaalsContact O-N 3.17Å; I29-C33 PolarHBondContact O-SG 3.46Å; I29-L68 HydrophobicContact CB-CD1 4.32Å; I29-L68 HydrophobicContact CG1-CD1 4.21Å; I29-L68 HydrophobicContact CG2-CD1 3.91Å; I29-A71 HydrophobicContact CG2-CB 3.4Å
30M96.6Very high93.8Very high67 Ų6770 Ų7033%0.3339%0.387SS..Hα-helixtrans-71.3-39.9178.3-65.5-59.8153.300112.2W26 S27 I32 C33 D34W26-M30 HydrophobicContact CE3-CE 3.75Å; W26-M30 HydrophobicContact CZ3-CE 3.87Å; W26-M30 WeakPolarHBondContact O-CG 3.36Å; W26-M30 PolarHBondContact O-N 2.85Å; S27-M30 PolarHBondContact O-N 2.97Å; M30-I32 PolarHBondContact O-N 2.96Å; M30-C33 WeakPolarHBondContact O-CA 3.11Å; M30-C33 WeakPolarHBondContact O-CB 3.34Å; M30-C33 PolarHBondContact O-N 3.28Å; M30-D34 PolarHBondContact O-N 3.45Å
31D96.8Very high93.7Very high92 Ų9265.6 Ų65.649%0.49238%0.376SS..Hα-helixtrans-53.6-39171.7-69.5-27.6000111.6S27 K35S27-D31 VanDerWaalsContact O-CG 3.31Å; S27-D31 PolarHBondContact O-N 2.59Å; D31-K35 VanDerWaalsContact O-CB 3.25Å; D31-K35 WeakPolarHBondContact O-CB 3.34Å; D31-K35 PolarHBondContact O-N 3.15Å
32I96.6Very high93.7Very high1 Ų163.6 Ų63.61%0.00537%0.365CS..Hα-helixtrans-68.1-40.7175.4-68.1163.2000111.4F9 D12 V13 A16 L28 I29 M30 K35 V36 L68F9-I32 HydrophobicContact CD1-CG2 4.39Å; D12-I32 HydrophobicContact CB-CD1 3.99Å; D12-I32 HydrophobicContact CB-CG1 3.79Å; V13-I32 HydrophobicContact CG2-CD1 4.4Å; A16-I32 HydrophobicContact CB-CD1 3.89Å; L28-I32 HydrophobicContact CG-CD1 4.27Å; L28-I32 WeakPolarHBondContact O-CD1 3.38Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.41Å; L28-I32 PolarHBondContact O-N 3.18Å; L28-I32 VanDerWaalsContact O-N 3.1Å; I29-I32 PolarHBondContact O-N 3.27Å; M30-I32 PolarHBondContact O-N 2.96Å; I32-K35 PolarHBondContact O-N 3.08Å; I32-V36 WeakPolarHBondContact O-CG2 3.39Å; I32-V36 PolarHBondContact O-N 3.24Å; I32-L68 HydrophobicContact CB-CD1 4.32Å; I32-L68 HydrophobicContact CD1-CD1 4.22Å; I32-L68 HydrophobicContact CD1-CD2 4.07Å; I32-L68 HydrophobicContact CG2-CD1 4.1Å
33C96.3Very high94Very high7 Ų758.9 Ų58.95%0.04734%0.338CS..Hα-helixtrans-63.7-45.2176.8-64.30000112.1I29 M30 K35 V36 G37 N75I29-C33 PolarHBondContact O-N 2.81Å; I29-C33 VanDerWaalsContact O-N 3.17Å; I29-C33 PolarHBondContact O-SG 3.46Å; M30-C33 WeakPolarHBondContact O-CA 3.11Å; M30-C33 WeakPolarHBondContact O-CB 3.34Å; M30-C33 PolarHBondContact O-N 3.28Å; C33-K35 VanDerWaalsContact C-N 3.32Å; C33-K35 PolarHBondContact O-N 3.4Å; C33-V36 WeakPolarHBondContact O-CB 3.3Å; C33-V36 PolarHBondContact O-N 3.01Å; C33-V36 VanDerWaalsContact O-N 3.1Å; C33-G37 PolarHBondContact O-N 3.39Å; C33-G37 VanDerWaalsContact O-N 3.17Å; C33-N75 HydrophobicContact CB-CB 4.19Å
34D95.4Very high94.1Very high110 Ų11059.3 Ų59.359%0.58833%0.332SS*.Hα-helixtrans-62.9-39.5175.9-73.7-24.4000112M30 V36 G37 S38M30-D34 PolarHBondContact O-N 3.45Å; D34-V36 VanDerWaalsContact C-N 3.31Å; D34-V36 PolarHBondContact O-N 2.85Å; D34-G37 PolarHBondContact O-N 2.75Å; D34-S38 WeakPolarHBondContact O-CB 3.03Å; D34-S38 PolarHBondContact O-N 2.87Å; D34-S38 PolarHBondContact O-OG 2.92Å
35K94.9Very high94.2Very high66 Ų6656.9 Ų56.929%0.28732%0.322SS..Hα-helixtrans-63.6-34.6173.7-167.4-177.3-166.7-176.90112.2P8 F9 D12 D31 I32 C33 S38 T39P8-K35 PolarHBondContact O-NZ 3.34Å; F9-K35 HydrophobicContact CD1-CD 4.1Å; F9-K35 HydrophobicContact CD1-CG 4.45Å; F9-K35 HydrophobicContact CE1-CB 3.94Å; F9-K35 HydrophobicContact CE1-CD 3.81Å; F9-K35 HydrophobicContact CE1-CG 3.67Å; F9-K35 HydrophobicContact CZ-CD 4.47Å; F9-K35 HydrophobicContact CZ-CG 4.08Å; D12-K35 IonicContact OD2-NZ 2.77Å; D12-K35 PolarHBondContact OD2-NZ 2.84Å; D31-K35 VanDerWaalsContact O-CB 3.25Å; D31-K35 WeakPolarHBondContact O-CB 3.34Å; D31-K35 PolarHBondContact O-N 3.15Å; I32-K35 PolarHBondContact O-N 3.08Å; C33-K35 VanDerWaalsContact C-N 3.32Å; C33-K35 PolarHBondContact O-N 3.4Å; K35-S38 PolarHBondContact O-N 2.87Å; K35-T39 VanDerWaalsContact O-CB 3.23Å; K35-T39 WeakPolarHBondContact O-CB 3.47Å; K35-T39 PolarHBondContact O-N 2.85Å; K35-T39 VanDerWaalsContact O-N 3.11Å; K35-T39 PolarHBondContact O-OG1 2.81Å
36V96.1Very high94.4Very high1 Ų153.8 Ų53.81%0.00631%0.305CS..Hα-helixtrans-63.9-45.5174.3162.40000111.5F9 I32 C33 D34 S38 A43 C46 C76 F80F9-V36 HydrophobicContact CD1-CG2 4.32Å; F9-V36 HydrophobicContact CE1-CB 4.49Å; F9-V36 HydrophobicContact CE1-CG2 3.64Å; F9-V36 HydrophobicContact CZ-CG2 4.08Å; I32-V36 WeakPolarHBondContact O-CG2 3.39Å; I32-V36 PolarHBondContact O-N 3.24Å; C33-V36 WeakPolarHBondContact O-CB 3.3Å; C33-V36 PolarHBondContact O-N 3.01Å; C33-V36 VanDerWaalsContact O-N 3.1Å; D34-V36 VanDerWaalsContact C-N 3.31Å; D34-V36 PolarHBondContact O-N 2.85Å; V36-S38 VanDerWaalsContact C-N 3.34Å; V36-A43 HydrophobicContact CG1-CB 4.03Å; V36-C46 HydrophobicContact CG2-CB 3.38Å; V36-C46 VanDerWaalsContact CG2-SG 3.5Å; V36-C76 HydrophobicContact CG1-CB 3.88Å; V36-C76 VanDerWaalsContact CG1-SG 3.58Å; V36-F80 HydrophobicContact CG1-CD2 4.08Å
37G90.4Very high94.4Very high51 Ų5148.2 Ų48.253%0.52629%0.285SS..Hα-helixtrans-66.3-35177.300000113.3C33 D34C33-G37 PolarHBondContact O-N 3.39Å; C33-G37 VanDerWaalsContact O-N 3.17Å; D34-G37 PolarHBondContact O-N 2.75Å
38S91Very high94.4Very high102 Ų10251.4 Ų51.471%0.71329%0.289SS*.Hα-helixtrans-81.8-20-176.5-57.40000114.7D34 K35 V36D34-S38 WeakPolarHBondContact O-CB 3.03Å; D34-S38 PolarHBondContact O-N 2.87Å; D34-S38 PolarHBondContact O-OG 2.92Å; K35-S38 PolarHBondContact O-N 2.87Å; V36-S38 VanDerWaalsContact C-N 3.34Å
39T91.8Very high94.3Very high44 Ų4451 Ų5127%0.2729%0.286SS..SBendtrans-101.3127.6-172.1-54.40000111.3F9 K35 N41 G42F9-T39 HydrophobicContact CE2-CG2 4.29Å; F9-T39 HydrophobicContact CZ-CG2 4.36Å; K35-T39 VanDerWaalsContact O-CB 3.23Å; K35-T39 WeakPolarHBondContact O-CB 3.47Å; K35-T39 PolarHBondContact O-N 2.85Å; K35-T39 VanDerWaalsContact O-N 3.11Å; K35-T39 PolarHBondContact O-OG1 2.81Å; T39-N41 PolarHBondContact O-N 3.38Å; T39-G42 WeakPolarHBondContact O-CA 3.48Å; T39-G42 PolarHBondContact O-N 3.21Å
40P87.3Confident94.3Very high118 Ų11850.6 Ų50.677%0.76629%0.285SS*.THydrogen-bonded Turntrans-62.5132.6172.927.4-34.3000110.1G42P40-G42 PolarHBondContact O-N 2.75Å
41N89.3Confident94.2Very high92 Ų9248 Ų4849%0.49227%0.272SS..THydrogen-bonded Turntrans639.8-170.3-162.875.3000114.5T39 A43 K44 D45T39-N41 PolarHBondContact O-N 3.38Å; N41-A43 VanDerWaalsContact C-N 3.35Å; N41-A43 PolarHBondContact O-N 3.4Å; N41-K44 WeakPolarHBondContact O-CB 3.21Å; N41-K44 PolarHBondContact O-N 3.42Å; N41-K44 VanDerWaalsContact O-N 3.12Å; N41-D45 PolarHBondContact ND2-OD2 3.42Å; N41-D45 PolarHBondContact O-N 2.86Å
42G93.1Very high94.1Very high1 Ų148.8 Ų48.81%0.0127%0.271CS..Hα-helixtrans-57.5-40.4-173.800000114.5F9 T39 P40 K44 D45 C46F9-G42 WeakPolarHBondContact CE2-O 3.16Å; T39-G42 WeakPolarHBondContact O-CA 3.48Å; T39-G42 PolarHBondContact O-N 3.21Å; P40-G42 PolarHBondContact O-N 2.75Å; G42-K44 VanDerWaalsContact C-N 3.32Å; G42-K44 PolarHBondContact O-N 3.01Å; G42-D45 PolarHBondContact O-N 2.92Å; G42-C46 WeakPolarHBondContact O-CB 3.47Å; G42-C46 PolarHBondContact O-N 3.24Å
43A95.1Very high94Very high8 Ų850.1 Ų50.17%0.06628%0.276CS..Hα-helixtrans-57.4-43.2177.300000112.8V36 N41 L47 I79 F80 E83V36-A43 HydrophobicContact CG1-CB 4.03Å; N41-A43 VanDerWaalsContact C-N 3.35Å; N41-A43 PolarHBondContact O-N 3.4Å; A43-L47 VanDerWaalsContact O-CB 3.23Å; A43-L47 WeakPolarHBondContact O-CB 3.48Å; A43-L47 PolarHBondContact O-N 2.99Å; A43-I79 WeakPolarHBondContact CB-O 3.04Å; A43-F80 HydrophobicContact CB-CB 4.31Å; A43-F80 HydrophobicContact CB-CD2 3.78Å; A43-F80 HydrophobicContact CB-CG 4.45Å; A43-E83 HydrophobicContact CB-CG 4.08Å
44K94.4Very high94Very high96 Ų9649.9 Ų49.942%0.41727%0.274SS..Hα-helixtrans-70.3-45.7-178.5-177.5166.6-172.6163.50112.5N41 G42 K48 E83N41-K44 WeakPolarHBondContact O-CB 3.21Å; N41-K44 PolarHBondContact O-N 3.42Å; N41-K44 VanDerWaalsContact O-N 3.12Å; G42-K44 VanDerWaalsContact C-N 3.32Å; G42-K44 PolarHBondContact O-N 3.01Å; K44-K48 WeakPolarHBondContact O-CB 3.48Å; K44-K48 PolarHBondContact O-N 2.93Å; K44-E83 HydrophobicContact CB-CG 4.15Å; K44-E83 WeakPolarHBondContact CB-OE2 3.42Å; K44-E83 WeakPolarHBondContact CG-OE2 3.37Å
45D95Very high93.8Very high43 Ų4348.2 Ų48.223%0.2327%0.265CS..Hα-helixtrans-69.5-39.3179.3-71-47.7000111.1N7 F9 N41 G42 K48 A49N7-D45 PolarHBondContact ND2-O 2.96Å; F9-D45 HydrophobicContact CD2-CB 3.95Å; F9-D45 HydrophobicContact CE2-CB 4.23Å; N41-D45 PolarHBondContact ND2-OD2 3.42Å; N41-D45 PolarHBondContact O-N 2.86Å; G42-D45 PolarHBondContact O-N 2.92Å; D45-K48 PolarHBondContact O-N 3.28Å; D45-A49 PolarHBondContact O-N 3.47Å
46C96.6Very high93.8Very high0 Ų048.5 Ų48.50%027%0.267CS..Hα-helixtrans-61.9-51.2171.9-175.70000112F9 V36 G42 K48 A49 I50F9-C46 HydrophobicContact CB-CB 4.37Å; F9-C46 HydrophobicContact CD1-CB 3.8Å; F9-C46 HydrophobicContact CD2-CB 4.1Å; F9-C46 HydrophobicContact CE1-CB 4.09Å; F9-C46 HydrophobicContact CE2-CB 4.4Å; F9-C46 HydrophobicContact CG-CB 3.81Å; F9-C46 HydrophobicContact CZ-CB 4.39Å; V36-C46 HydrophobicContact CG2-CB 3.38Å; V36-C46 VanDerWaalsContact CG2-SG 3.5Å; G42-C46 WeakPolarHBondContact O-CB 3.47Å; G42-C46 PolarHBondContact O-N 3.24Å; C46-K48 PolarHBondContact O-N 3.04Å; C46-A49 WeakPolarHBondContact O-CB 3.47Å; C46-A49 PolarHBondContact O-N 2.94Å; C46-I50 WeakPolarHBondContact O-CG1 3.26Å; C46-I50 PolarHBondContact O-N 2.66Å; C46-I50 VanDerWaalsContact SG-CD1 3.54Å
47L96.5Very high93.5Very high13 Ų1358.1 Ų58.17%0.06831%0.309CS..Hα-helixtrans-56.8-40178.1-178.960.9000111.8A43 I50 M51 L69 F80 E83 V84 F89A43-L47 VanDerWaalsContact O-CB 3.23Å; A43-L47 WeakPolarHBondContact O-CB 3.48Å; A43-L47 PolarHBondContact O-N 2.99Å; L47-I50 PolarHBondContact O-N 2.95Å; L47-M51 HydrophobicContact CD1-CG 4.1Å; L47-M51 HydrophobicContact CG-CG 4.44Å; L47-M51 WeakPolarHBondContact O-CB 3.31Å; L47-M51 WeakPolarHBondContact O-CG 3.44Å; L47-M51 PolarHBondContact O-N 3.37Å; L47-L69 HydrophobicContact CD1-CD1 3.43Å; L47-L69 VanDerWaalsContact CD1-CD1 3.43Å; L47-F80 HydrophobicContact CB-CE2 4.23Å; L47-F80 HydrophobicContact CB-CZ 4.16Å; L47-F80 HydrophobicContact CD1-CE1 4.45Å; L47-F80 HydrophobicContact CD1-CZ 4.05Å; L47-E83 HydrophobicContact CD2-CB 3.71Å; L47-E83 WeakPolarHBondContact CD2-O 3.38Å; L47-V84 HydrophobicContact CD1-CG2 4.39Å; L47-V84 HydrophobicContact CD2-CG2 4.4Å; L47-F89 HydrophobicContact CD1-CD2 4.03Å; L47-F89 HydrophobicContact CD1-CE2 4.17Å; L47-F89 HydrophobicContact CD2-CD2 4.21Å
48K94.9Very high93.6Very high150 Ų15057.8 Ų57.865%0.65230%0.297SS*.Hα-helixtrans-65.5-40.3176.3-173.7177.1179.9-176.60112.9K44 D45 C46 K52K44-K48 WeakPolarHBondContact O-CB 3.48Å; K44-K48 PolarHBondContact O-N 2.93Å; D45-K48 PolarHBondContact O-N 3.28Å; C46-K48 PolarHBondContact O-N 3.04Å; K48-K52 PolarHBondContact O-N 3.49Å
49A95.8Very high93.7Very high1 Ų155.2 Ų55.21%0.00828%0.277CS..Hα-helixtrans-64.7-44.1173.200000111.2F9 V13 D45 C46 K52 R53F9-A49 HydrophobicContact CB-CB 4.27Å; V13-A49 HydrophobicContact CB-CB 4.23Å; V13-A49 HydrophobicContact CG1-CB 4.18Å; V13-A49 HydrophobicContact CG2-CB 4.09Å; D45-A49 PolarHBondContact O-N 3.47Å; C46-A49 WeakPolarHBondContact O-CB 3.47Å; C46-A49 PolarHBondContact O-N 2.94Å; A49-K52 WeakPolarHBondContact O-CB 3.22Å; A49-K52 PolarHBondContact O-N 3.48Å; A49-R53 WeakPolarHBondContact O-CG 3.29Å; A49-R53 PolarHBondContact O-N 2.99Å
50I96.8Very high93.8Very high0 Ų056.7 Ų56.70%028%0.281CS..Hα-helixtrans-61.1-50.9177.9-68.3166.8000110.9V13 C46 L47 K52 R53 V54 A65 L68 L69 F80V13-I50 HydrophobicContact CG1-CG1 4.27Å; V13-I50 HydrophobicContact CG2-CG1 4.37Å; C46-I50 WeakPolarHBondContact O-CG1 3.26Å; C46-I50 PolarHBondContact O-N 2.66Å; C46-I50 VanDerWaalsContact SG-CD1 3.54Å; L47-I50 PolarHBondContact O-N 2.95Å; I50-K52 VanDerWaalsContact C-N 3.26Å; I50-K52 PolarHBondContact O-N 2.96Å; I50-R53 CarbonylContact O-C 3.59Å; I50-R53 WeakPolarHBondContact O-CA 3.41Å; I50-R53 WeakPolarHBondContact O-CB 3.41Å; I50-R53 PolarHBondContact O-N 3.28Å; I50-V54 HydrophobicContact CG2-CG2 4.19Å; I50-V54 WeakPolarHBondContact O-CG2 3.43Å; I50-V54 PolarHBondContact O-N 2.81Å; I50-A65 HydrophobicContact CG2-CB 4.49Å; I50-A65 WeakPolarHBondContact CG2-O 3.38Å; I50-L68 HydrophobicContact CD1-CD2 4.26Å; I50-L68 HydrophobicContact CD1-CG 3.98Å; I50-L68 HydrophobicContact CG1-CD2 4Å; I50-L68 HydrophobicContact CG1-CG 4.2Å; I50-L69 HydrophobicContact CG2-CB 3.86Å; I50-L69 HydrophobicContact CG2-CD1 4.06Å; I50-L69 HydrophobicContact CG2-CG 4.39Å; I50-F80 HydrophobicContact CD1-CZ 4.43Å
51M94.8Very high94.2Very high12 Ų1251.1 Ų51.16%0.05925%0.245CC..Hα-helixtrans-64.4-28.5-178.4-69.8-57.1-71.900113.3L47 R53 V54 N55 L69 F89 E92 V93 V96L47-M51 HydrophobicContact CD1-CG 4.1Å; L47-M51 HydrophobicContact CG-CG 4.44Å; L47-M51 WeakPolarHBondContact O-CB 3.31Å; L47-M51 WeakPolarHBondContact O-CG 3.44Å; L47-M51 PolarHBondContact O-N 3.37Å; M51-R53 VanDerWaalsContact C-N 3.32Å; M51-V54 PolarHBondContact O-N 2.86Å; M51-V54 HydrophobicContact SD-CB 4.37Å; M51-V54 HydrophobicContact SD-CG2 4.18Å; M51-N55 PolarHBondContact O-N 2.66Å; M51-N55 VanDerWaalsContact O-N 3.16Å; M51-N55 PolarHBondContact O-ND2 2.8Å; M51-L69 HydrophobicContact SD-CD2 4.39Å; M51-F89 HydrophobicContact CE-CD2 4.41Å; M51-F89 HydrophobicContact CE-CE2 4.21Å; M51-F89 HydrophobicContact CG-CD2 4.43Å; M51-F89 HydrophobicContact SD-CD2 4.2Å; M51-F89 HydrophobicContact SD-CE2 3.78Å; M51-E92 HydrophobicContact CE-CB 3.59Å; M51-E92 HydrophobicContact CE-CG 4.5Å; M51-V93 HydrophobicContact CE-CG2 4.29Å; M51-V96 HydrophobicContact CE-CG2 4.5Å
52K94.3Very high94.5Very high109 Ų10946.8 Ų46.847%0.47422%0.222SC..Hα-helixtrans-62.1-37.7169.1-176.8-169177.6-169.70111.9E10 K48 A49 I50E10-K52 WeakPolarHBondContact OE1-CD 3.18Å; E10-K52 IonicContact OE1-NZ 2.64Å; E10-K52 PolarHBondContact OE1-NZ 3.21Å; E10-K52 IonicContact OE2-NZ 2.71Å; E10-K52 PolarHBondContact OE2-NZ 3.1Å; K48-K52 PolarHBondContact O-N 3.49Å; A49-K52 WeakPolarHBondContact O-CB 3.22Å; A49-K52 PolarHBondContact O-N 3.48Å; I50-K52 VanDerWaalsContact C-N 3.26Å; I50-K52 PolarHBondContact O-N 2.96Å
53R95.1Very high94.6Very high29 Ų2949 Ų4911%0.10923%0.233CC..Hα-helixtrans-80-31.7176.1-55.9-63.2-73-1744113.1V13 E14 T17 A49 I50 M51 N55 H56 V61 A65V13-R53 HydrophobicContact CG1-CG 3.83Å; E14-R53 IonicContact OE1-NH1 2.7Å; E14-R53 PolarHBondContact OE1-NH1 2.83Å; T17-R53 PolarHBondContact O-NH2 2.88Å; T17-R53 WeakPolarHBondContact OG1-CG 3.32Å; T17-R53 PolarHBondContact OG1-NE 3.11Å; A49-R53 WeakPolarHBondContact O-CG 3.29Å; A49-R53 PolarHBondContact O-N 2.99Å; I50-R53 CarbonylContact O-C 3.59Å; I50-R53 WeakPolarHBondContact O-CA 3.41Å; I50-R53 WeakPolarHBondContact O-CB 3.41Å; I50-R53 PolarHBondContact O-N 3.28Å; M51-R53 VanDerWaalsContact C-N 3.32Å; R53-N55 PolarHBondContact O-N 2.76Å; R53-H56 WeakPolarHBondContact O-CB 3.41Å; R53-H56 PolarHBondContact O-N 3.13Å; R53-V61 HydrophobicContact CB-CG1 4.3Å; R53-A65 HydrophobicContact CB-CB 3.66Å
54V95Very high94.7Very high2 Ų249.2 Ų49.21%0.01223%0.233CC..Hα-helixtrans-60.8-35.6171.1175.30000111.4I50 M51 H56 A62 A65 L66 V96 V105I50-V54 HydrophobicContact CG2-CG2 4.19Å; I50-V54 WeakPolarHBondContact O-CG2 3.43Å; I50-V54 PolarHBondContact O-N 2.81Å; M51-V54 PolarHBondContact O-N 2.86Å; M51-V54 HydrophobicContact SD-CB 4.37Å; M51-V54 HydrophobicContact SD-CG2 4.18Å; V54-H56 PolarHBondContact O-N 3.37Å; V54-A62 WeakPolarHBondContact O-CB 3.4Å; V54-A65 HydrophobicContact CG2-CB 3.73Å; V54-L66 HydrophobicContact CG1-CD2 3.94Å; V54-L66 HydrophobicContact CG1-CG 4.33Å; V54-L66 HydrophobicContact CG2-CD2 3.8Å; V54-L66 HydrophobicContact CG2-CG 4.12Å; V54-V96 HydrophobicContact CG1-CG1 4.31Å; V54-V96 HydrophobicContact CG1-CG2 4.2Å; V54-V105 HydrophobicContact CG1-CG1 4.45Å
55N92.3Very high94.8Very high74 Ų7444.6 Ų44.640%0.39621%0.213SC..THydrogen-bonded Turntrans-80.69.7173.8-77.2-76.4000114.1M51 R53 E92M51-N55 PolarHBondContact O-N 2.66Å; M51-N55 VanDerWaalsContact O-N 3.16Å; M51-N55 PolarHBondContact O-ND2 2.8Å; R53-N55 PolarHBondContact O-N 2.76Å; N55-E92 PolarHBondContact ND2-OE2 2.71Å
56H93.8Very high94.9Very high73 Ų7342.6 Ų42.634%0.33820%0.202SC..  trans-70.6150.5-178.5-166.8-112.8000112.7R53 V54 V58 V61R53-H56 WeakPolarHBondContact O-CB 3.41Å; R53-H56 PolarHBondContact O-N 3.13Å; V54-H56 PolarHBondContact O-N 3.37Å; H56-V58 VanDerWaalsContact C-N 3.32Å; H56-V58 PolarHBondContact ND1-N 3.03Å; H56-V58 PolarHBondContact O-N 3.39Å; H56-V61 HydrophobicContact CB-CB 4.22Å; H56-V61 HydrophobicContact CB-CG1 3.67Å; H56-V61 WeakPolarHBondContact ND1-CB 3.36Å
57K90.1Very high94.9Very high203 Ų20343.5 Ų43.588%0.88321%0.208SC*.SBendtrans-67.6-31.1-178-64.8-177.1-179.1178.90113.3
58V93.3Very high95Very high44 Ų4443 Ų4327%0.26721%0.205SC..SBendtrans-85.1120.7178.6-179.60000108.6H56 H60 V61 A62H56-V58 VanDerWaalsContact C-N 3.32Å; H56-V58 PolarHBondContact ND1-N 3.03Å; H56-V58 PolarHBondContact O-N 3.39Å; V58-H60 VanDerWaalsContact C-N 3.28Å; V58-H60 HydrophobicContact CG1-CB 4.07Å; V58-H60 PolarHBondContact O-N 3.17Å; V58-V61 HydrophobicContact CB-CB 4.41Å; V58-V61 HydrophobicContact CB-CG2 4.08Å; V58-V61 HydrophobicContact CG1-CG2 4.2Å; V58-V61 PolarHBondContact O-N 3.09Å; V58-A62 PolarHBondContact O-N 3.17Å
59P93Very high95.1Very high47 Ų4735.8 Ų35.831%0.30517%0.174SC..Hα-helixtrans-69.5-23.9-174.727.9-35.5000113.5A62 L63 H102 V105P59-A62 PolarHBondContact O-N 3.31Å; P59-L63 WeakPolarHBondContact O-CB 3.38Å; P59-L63 VanDerWaalsContact O-CG 3.3Å; P59-L63 WeakPolarHBondContact O-CG 3.33Å; P59-L63 PolarHBondContact O-N 3.32Å; P59-H102 HydrophobicContact CB-CB 3.72Å; P59-H102 VanDerWaalsContact CB-CG 3.47Å; P59-V105 HydrophobicContact CB-CG2 4.33Å
60H94Very high95.1Very high75 Ų7536.4 Ų36.435%0.34718%0.18SC..Hα-helixtrans-60.8-55173.9-167.952000111N21 V58 A62 L63 Q64N21-H60 PolarHBondContact O-NE2 2.98Å; V58-H60 VanDerWaalsContact C-N 3.28Å; V58-H60 HydrophobicContact CG1-CB 4.07Å; V58-H60 PolarHBondContact O-N 3.17Å; H60-A62 VanDerWaalsContact C-N 3.27Å; H60-A62 PolarHBondContact O-N 2.85Å; H60-L63 PolarHBondContact O-N 2.96Å; H60-Q64 PolarHBondContact NE2-NE2 3.07Å; H60-Q64 WeakPolarHBondContact O-CG 3.2Å; H60-Q64 PolarHBondContact O-N 3.41Å; H60-Q64 PolarHBondContact O-OE1 3.35Å
61V95.8Very high95.1Very high1 Ų136.8 Ų36.81%0.00618%0.183CC..Hα-helixtrans-51-45.2173.3172.90000112.2T17 E19 R53 H56 V58 Q64 A65T17-V61 WeakPolarHBondContact O-CG1 3.34Å; T17-V61 WeakPolarHBondContact O-CG2 3.22Å; E19-V61 HydrophobicContact CB-CG2 3.83Å; R53-V61 HydrophobicContact CB-CG1 4.3Å; H56-V61 HydrophobicContact CB-CB 4.22Å; H56-V61 HydrophobicContact CB-CG1 3.67Å; H56-V61 WeakPolarHBondContact ND1-CB 3.36Å; V58-V61 HydrophobicContact CB-CB 4.41Å; V58-V61 HydrophobicContact CB-CG2 4.08Å; V58-V61 HydrophobicContact CG1-CG2 4.2Å; V58-V61 PolarHBondContact O-N 3.09Å; V61-Q64 VanDerWaalsContact CA-OE1 3.23Å; V61-Q64 PolarHBondContact O-N 2.93Å; V61-A65 WeakPolarHBondContact O-CB 3.37Å; V61-A65 PolarHBondContact O-N 3.33Å
62A95.2Very high95.2Very high2 Ų236.2 Ų36.22%0.01718%0.18CC..Hα-helixtrans-68.5-36.4179.700000112.9V54 V58 P59 H60 A65 L66 V105V54-A62 WeakPolarHBondContact O-CB 3.4Å; V58-A62 PolarHBondContact O-N 3.17Å; P59-A62 PolarHBondContact O-N 3.31Å; H60-A62 VanDerWaalsContact C-N 3.27Å; H60-A62 PolarHBondContact O-N 2.85Å; A62-A65 PolarHBondContact O-N 3.11Å; A62-L66 WeakPolarHBondContact O-CG 3.17Å; A62-L66 PolarHBondContact O-N 3.28Å; A62-V105 HydrophobicContact CB-CG1 3.93Å; A62-V105 HydrophobicContact CB-CG2 3.75Å
63L95.1Very high95.3Very high46 Ų4631.2 Ų31.224%0.24116%0.159CC..Hα-helixtrans-68.4-42175-74.9169.1000111.9P59 H60 A65 L66 T67 K104 V105 K108P59-L63 WeakPolarHBondContact O-CB 3.38Å; P59-L63 VanDerWaalsContact O-CG 3.3Å; P59-L63 WeakPolarHBondContact O-CG 3.33Å; P59-L63 PolarHBondContact O-N 3.32Å; H60-L63 PolarHBondContact O-N 2.96Å; L63-A65 VanDerWaalsContact C-N 3.32Å; L63-A65 PolarHBondContact O-N 2.9Å; L63-L66 PolarHBondContact O-N 3.21Å; L63-T67 PolarHBondContact O-N 2.91Å; L63-T67 PolarHBondContact O-OG1 3.35Å; L63-K104 HydrophobicContact CD1-CB 4.32Å; L63-K104 HydrophobicContact CD2-CB 4.26Å; L63-V105 HydrophobicContact CD2-CG2 4.23Å; L63-V105 HydrophobicContact CG-CG2 4.05Å; L63-K108 HydrophobicContact CD2-CB 4.15Å
64Q96.6Very high95.2Very high13 Ų1333.6 Ų33.66%0.06119%0.185CC..Hα-helixtrans-61.4-41.9173.9-65.2162.7-53.500110.9T17 N18 H60 V61 L66 T67 L68T17-Q64 HydrophobicContact CG2-CB 4.14Å; N18-Q64 PolarHBondContact O-NE2 2.8Å; N18-Q64 VanDerWaalsContact O-NE2 3.08Å; N18-Q64 PolarHBondContact O-OE1 2.79Å; H60-Q64 PolarHBondContact NE2-NE2 3.07Å; H60-Q64 WeakPolarHBondContact O-CG 3.2Å; H60-Q64 PolarHBondContact O-N 3.41Å; H60-Q64 PolarHBondContact O-OE1 3.35Å; V61-Q64 VanDerWaalsContact CA-OE1 3.23Å; V61-Q64 PolarHBondContact O-N 2.93Å; Q64-L66 VanDerWaalsContact C-N 3.33Å; Q64-L66 PolarHBondContact O-N 3.42Å; Q64-T67 PolarHBondContact O-N 3.28Å; Q64-L68 PolarHBondContact O-N 2.89Å
65A97.1Very high95.2Very high0 Ų038 Ų380%021%0.208CC..Hα-helixtrans-62.5-37.3175.400000112.8T17 I50 R53 V54 V61 A62 L63 L69T17-A65 HydrophobicContact CG2-CB 3.85Å; I50-A65 HydrophobicContact CG2-CB 4.49Å; I50-A65 WeakPolarHBondContact CG2-O 3.38Å; R53-A65 HydrophobicContact CB-CB 3.66Å; V54-A65 HydrophobicContact CG2-CB 3.73Å; V61-A65 WeakPolarHBondContact O-CB 3.37Å; V61-A65 PolarHBondContact O-N 3.33Å; A62-A65 PolarHBondContact O-N 3.11Å; L63-A65 VanDerWaalsContact C-N 3.32Å; L63-A65 PolarHBondContact O-N 2.9Å; A65-L69 WeakPolarHBondContact O-CB 3.08Å; A65-L69 PolarHBondContact O-N 2.83Å
66L96.8Very high95.3Very high0 Ų035.3 Ų35.30%020%0.195CC..Hα-helixtrans-69.9-33.6173.4-71.2176.4000113.1V54 A62 L63 Q64 L69 G70 V105 K108 L109 L112V54-L66 HydrophobicContact CG1-CD2 3.94Å; V54-L66 HydrophobicContact CG1-CG 4.33Å; V54-L66 HydrophobicContact CG2-CD2 3.8Å; V54-L66 HydrophobicContact CG2-CG 4.12Å; A62-L66 WeakPolarHBondContact O-CG 3.17Å; A62-L66 PolarHBondContact O-N 3.28Å; L63-L66 PolarHBondContact O-N 3.21Å; Q64-L66 VanDerWaalsContact C-N 3.33Å; Q64-L66 PolarHBondContact O-N 3.42Å; L66-L69 HydrophobicContact CD2-CD2 4.22Å; L66-L69 WeakPolarHBondContact O-CB 3.3Å; L66-L69 PolarHBondContact O-N 2.7Å; L66-G70 PolarHBondContact O-N 2.92Å; L66-V105 HydrophobicContact CD1-CB 4.41Å; L66-V105 HydrophobicContact CD1-CG1 3.67Å; L66-V105 VanDerWaalsContact CD1-O 3.28Å; L66-V105 WeakPolarHBondContact CD1-O 3.38Å; L66-K108 HydrophobicContact CB-CG 4.23Å; L66-K108 HydrophobicContact CD1-CB 4Å; L66-K108 HydrophobicContact CD1-CG 4.19Å; L66-L109 HydrophobicContact CD1-CB 4.01Å; L66-L109 HydrophobicContact CD2-CB 4.04Å; L66-L109 HydrophobicContact CD2-CD1 3.83Å; L66-L109 HydrophobicContact CD2-CG 4.38Å; L66-L112 HydrophobicContact CB-CD1 4.24Å; L66-L112 HydrophobicContact CD2-CD1 4.47Å; L66-L112 WeakPolarHBondContact O-CD1 3.4Å
67T96.8Very high95.2Very high20 Ų2033 Ų3312%0.12319%0.191CC..Hα-helixtrans-68.6-44.1174.4-60.90000111.1E24 W26 L63 Q64 L69 G70 A71 K108E24-T67 HydrophobicContact CG-CG2 4.21Å; W26-T67 HydrophobicContact CH2-CG2 4.14Å; W26-T67 HydrophobicContact CZ2-CG2 4.18Å; L63-T67 PolarHBondContact O-N 2.91Å; L63-T67 PolarHBondContact O-OG1 3.35Å; Q64-T67 PolarHBondContact O-N 3.28Å; T67-L69 VanDerWaalsContact C-N 3.31Å; T67-L69 PolarHBondContact O-N 3.21Å; T67-G70 PolarHBondContact O-N 3.05Å; T67-A71 PolarHBondContact O-N 3.05Å; T67-K108 PolarHBondContact OG1-NZ 3.11Å
68L97.5Very high95.2Very high1 Ų127.7 Ų27.71%0.00517%0.168CC..Hα-helixtrans-59.8-39.7170.6174.558.8000112V13 A16 T17 I29 I32 I50 Q64 G70 A71 C72V13-L68 HydrophobicContact CB-CD2 4.49Å; V13-L68 HydrophobicContact CG1-CD2 4.22Å; V13-L68 HydrophobicContact CG2-CD2 4.1Å; A16-L68 HydrophobicContact CB-CD2 4.35Å; T17-L68 HydrophobicContact CG2-CD2 4.33Å; I29-L68 HydrophobicContact CB-CD1 4.32Å; I29-L68 HydrophobicContact CG1-CD1 4.21Å; I29-L68 HydrophobicContact CG2-CD1 3.91Å; I32-L68 HydrophobicContact CB-CD1 4.32Å; I32-L68 HydrophobicContact CD1-CD1 4.22Å; I32-L68 HydrophobicContact CD1-CD2 4.07Å; I32-L68 HydrophobicContact CG2-CD1 4.1Å; I50-L68 HydrophobicContact CD1-CD2 4.26Å; I50-L68 HydrophobicContact CD1-CG 3.98Å; I50-L68 HydrophobicContact CG1-CD2 4Å; I50-L68 HydrophobicContact CG1-CG 4.2Å; Q64-L68 PolarHBondContact O-N 2.89Å; L68-G70 PolarHBondContact O-N 3.24Å; L68-A71 PolarHBondContact O-N 2.73Å; L68-C72 PolarHBondContact O-N 2.71Å; L68-C72 PolarHBondContact O-SG 2.57Å
69L97.4Very high95.2Very high0 Ų029.9 Ų29.90%018%0.177CC..Hα-helixtrans-59.1-46.6175.1-173.759.8000111.9L47 I50 M51 A65 L66 T67 C72 V73 F80 F89 W116L47-L69 HydrophobicContact CD1-CD1 3.43Å; L47-L69 VanDerWaalsContact CD1-CD1 3.43Å; I50-L69 HydrophobicContact CG2-CB 3.86Å; I50-L69 HydrophobicContact CG2-CD1 4.06Å; I50-L69 HydrophobicContact CG2-CG 4.39Å; M51-L69 HydrophobicContact SD-CD2 4.39Å; A65-L69 WeakPolarHBondContact O-CB 3.08Å; A65-L69 PolarHBondContact O-N 2.83Å; L66-L69 HydrophobicContact CD2-CD2 4.22Å; L66-L69 WeakPolarHBondContact O-CB 3.3Å; L66-L69 PolarHBondContact O-N 2.7Å; T67-L69 VanDerWaalsContact C-N 3.31Å; T67-L69 PolarHBondContact O-N 3.21Å; L69-C72 PolarHBondContact O-N 2.9Å; L69-V73 WeakPolarHBondContact O-CG2 3.19Å; L69-V73 PolarHBondContact O-N 2.96Å; L69-F80 HydrophobicContact CD1-CE1 3.91Å; L69-F80 HydrophobicContact CD1-CZ 3.94Å; L69-F89 HydrophobicContact CD2-CE2 4.07Å; L69-F89 HydrophobicContact CD2-CZ 4.28Å; L69-W116 HydrophobicContact CD2-CH2 3.78Å; L69-W116 HydrophobicContact CG-CH2 3.79Å; L69-W116 HydrophobicContact CG-CZ2 4.4Å
70G96.5Very high95.3Very high14 Ų1427.6 Ų27.614%0.14416%0.162CC..Hα-helixtrans-59.6-45.6175.100000112.5L66 T67 L68 C72 V73 A74L66-G70 PolarHBondContact O-N 2.92Å; T67-G70 PolarHBondContact O-N 3.05Å; L68-G70 PolarHBondContact O-N 3.24Å; G70-C72 PolarHBondContact O-N 3.3Å; G70-V73 PolarHBondContact O-N 3.48Å; G70-V73 VanDerWaalsContact O-N 3.17Å; G70-A74 PolarHBondContact O-N 2.82Å
71A96.7Very high95.3Very high7 Ų725.5 Ų25.56%0.05815%0.153CC..Hα-helixtrans-60-44.6176.500000112.5W26 I29 T67 L68 V73 A74 N75W26-A71 HydrophobicContact CZ3-CB 4.03Å; I29-A71 HydrophobicContact CG2-CB 3.4Å; T67-A71 PolarHBondContact O-N 3.05Å; L68-A71 PolarHBondContact O-N 2.73Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 PolarHBondContact O-N 3.1Å; A71-A74 PolarHBondContact O-N 3.14Å; A71-N75 WeakPolarHBondContact O-CB 3.37Å; A71-N75 PolarHBondContact O-N 3Å; A71-N75 PolarHBondContact O-ND2 2.84Å
72C96.6Very high95.1Very high0 Ų029.4 Ų29.40%017%0.173CC..Hα-helixtrans-64-35.7175.2-700000112.7L68 L69 G70 C76 F80L68-C72 PolarHBondContact O-N 2.71Å; L68-C72 PolarHBondContact O-SG 2.57Å; L69-C72 PolarHBondContact O-N 2.9Å; G70-C72 PolarHBondContact O-N 3.3Å; C72-C76 WeakPolarHBondContact O-CB 3.39Å; C72-C76 PolarHBondContact O-N 3.07Å; C72-C76 PolarHBondContact O-SG 3.15Å; C72-C76 VanDerWaalsContact O-SG 3.38Å; C72-F80 HydrophobicContact CB-CD1 4.15Å; C72-F80 HydrophobicContact CB-CD2 4.16Å; C72-F80 HydrophobicContact CB-CE1 3.7Å; C72-F80 HydrophobicContact CB-CE2 3.71Å; C72-F80 HydrophobicContact CB-CG 4.36Å; C72-F80 HydrophobicContact CB-CZ 3.47Å; C72-F80 VanDerWaalsContact CB-CZ 3.47Å
73V96Very high95.1Very high5 Ų531.7 Ų31.73%0.0318%0.183CC..Hα-helixtrans-66.2-43.5174.6170.80000111.7L69 G70 A71 F80 H81 V84 W116 F120L69-V73 WeakPolarHBondContact O-CG2 3.19Å; L69-V73 PolarHBondContact O-N 2.96Å; G70-V73 PolarHBondContact O-N 3.48Å; G70-V73 VanDerWaalsContact O-N 3.17Å; A71-V73 VanDerWaalsContact C-N 3.33Å; A71-V73 PolarHBondContact O-N 3.1Å; V73-F80 HydrophobicContact CG2-CD1 3.77Å; V73-F80 HydrophobicContact CG2-CE1 3.69Å; V73-H81 PolarHBondContact O-CD2 3.41Å; V73-H81 PolarHBondContact O-NE2 2.99Å; V73-V84 HydrophobicContact CG2-CG2 3.85Å; V73-W116 HydrophobicContact CB-CZ2 4.06Å; V73-W116 HydrophobicContact CG1-CD2 4.15Å; V73-W116 HydrophobicContact CG1-CG 4.16Å; V73-W116 HydrophobicContact CG1-CZ2 4.39Å; V73-W116 HydrophobicContact CG2-CD2 4.34Å; V73-W116 HydrophobicContact CG2-CH2 3.98Å; V73-W116 HydrophobicContact CG2-CZ2 3.64Å; V73-W116 HydrophobicContact CG2-CZ3 4.43Å; V73-F120 HydrophobicContact CG1-CE1 4.41Å; V73-F120 HydrophobicContact CG1-CZ 3.71Å
74A94.7Very high95Very high78 Ų7829.5 Ų29.565%0.64517%0.172SC*.Hα-helixtrans-67.3-44.6179.700000112.5G70 A71G70-A74 PolarHBondContact O-N 2.82Å; A71-A74 PolarHBondContact O-N 3.14Å
75N94.9Very high94.8Very high94 Ų9429.7 Ų29.750%0.50317%0.174SC..Hα-helixtrans-95.2-34.1-167.4-65.1-78000114.4C33 A71 G77C33-N75 HydrophobicContact CB-CB 4.19Å; A71-N75 WeakPolarHBondContact O-CB 3.37Å; A71-N75 PolarHBondContact O-N 3Å; A71-N75 PolarHBondContact O-ND2 2.84Å; N75-G77 VanDerWaalsContact C-N 3.32Å; N75-G77 PolarHBondContact O-N 3.37Å
76C93.5Very high94.7Very high18 Ų1831 Ų3112%0.12218%0.183CC..SBendtrans-82.3-8.5-174.1-56.10000113.7V36 C72 I79 F80V36-C76 HydrophobicContact CG1-CB 3.88Å; V36-C76 VanDerWaalsContact CG1-SG 3.58Å; C72-C76 WeakPolarHBondContact O-CB 3.39Å; C72-C76 PolarHBondContact O-N 3.07Å; C72-C76 PolarHBondContact O-SG 3.15Å; C72-C76 VanDerWaalsContact O-SG 3.38Å; C76-I79 WeakPolarHBondContact O-CG1 3.36Å; C76-F80 HydrophobicContact CB-CB 3.6Å; C76-F80 HydrophobicContact CB-CD2 4.39Å; C76-F80 HydrophobicContact CB-CG 4.16Å
77G90.8Very high94.4Very high24 Ų2440.3 Ų40.325%0.24722%0.219CC..THydrogen-bonded Turntrans59.1-151.5176.100000115.2N75 I79 F80 H81N75-G77 VanDerWaalsContact C-N 3.32Å; N75-G77 PolarHBondContact O-N 3.37Å; G77-I79 PolarHBondContact O-N 3.31Å; G77-F80 PolarHBondContact O-N 3.38Å; G77-H81 PolarHBondContact O-CD2 3.13Å; G77-H81 PolarHBondContact O-N 3.33Å
78K91.4Very high94.2Very high93 Ų9344.5 Ų44.540%0.40424%0.24SC..Hα-helixtrans-54.8-32.5-167.3-177.3142.1-171160.60114.7F80 H81 L82 D123 F126K78-F80 VanDerWaalsContact C-N 3.27Å; K78-F80 PolarHBondContact O-N 3.45Å; K78-H81 PolarHBondContact O-N 3.45Å; K78-L82 HydrophobicContact CG-CD1 4.38Å; K78-L82 WeakPolarHBondContact O-CG 3.45Å; K78-L82 PolarHBondContact O-N 3.34Å; K78-L82 VanDerWaalsContact O-N 3.14Å; K78-D123 IonicContact NZ-OD1 2.89Å; K78-D123 IonicContact NZ-OD2 3.47Å; K78-D123 PolarHBondContact NZ-OD2 2.67Å; K78-F126 HydrophobicContact CD-CZ 4.14Å; K78-F126 HydrophobicContact CG-CZ 4.06Å
79I92.5Very high94Very high89 Ų8944.8 Ų44.846%0.45624%0.241SC..Hα-helixtrans-64.4-30.8177.655.7165.5000112.8A43 C76 G77A43-I79 WeakPolarHBondContact CB-O 3.04Å; C76-I79 WeakPolarHBondContact O-CG1 3.36Å; G77-I79 PolarHBondContact O-N 3.31Å
80F95.3Very high93.8Very high0 Ų045.1 Ų45.10%024%0.244CC..Hα-helixtrans-91.2-34.5177.2-161.9-88.5000111.8V36 A43 L47 I50 L69 C72 V73 C76 G77 K78 L82 E83 V84V36-F80 HydrophobicContact CG1-CD2 4.08Å; A43-F80 HydrophobicContact CB-CB 4.31Å; A43-F80 HydrophobicContact CB-CD2 3.78Å; A43-F80 HydrophobicContact CB-CG 4.45Å; L47-F80 HydrophobicContact CB-CE2 4.23Å; L47-F80 HydrophobicContact CB-CZ 4.16Å; L47-F80 HydrophobicContact CD1-CE1 4.45Å; L47-F80 HydrophobicContact CD1-CZ 4.05Å; I50-F80 HydrophobicContact CD1-CZ 4.43Å; L69-F80 HydrophobicContact CD1-CE1 3.91Å; L69-F80 HydrophobicContact CD1-CZ 3.94Å; C72-F80 HydrophobicContact CB-CD1 4.15Å; C72-F80 HydrophobicContact CB-CD2 4.16Å; C72-F80 HydrophobicContact CB-CE1 3.7Å; C72-F80 HydrophobicContact CB-CE2 3.71Å; C72-F80 HydrophobicContact CB-CG 4.36Å; C72-F80 HydrophobicContact CB-CZ 3.47Å; C72-F80 VanDerWaalsContact CB-CZ 3.47Å; V73-F80 HydrophobicContact CG2-CD1 3.77Å; V73-F80 HydrophobicContact CG2-CE1 3.69Å; C76-F80 HydrophobicContact CB-CB 3.6Å; C76-F80 HydrophobicContact CB-CD2 4.39Å; C76-F80 HydrophobicContact CB-CG 4.16Å; G77-F80 PolarHBondContact O-N 3.38Å; K78-F80 VanDerWaalsContact C-N 3.27Å; K78-F80 PolarHBondContact O-N 3.45Å; F80-L82 PolarHBondContact O-N 2.91Å; F80-E83 PolarHBondContact O-N 3.26Å; F80-E83 VanDerWaalsContact O-N 3.09Å; F80-V84 HydrophobicContact CD1-CG2 3.79Å; F80-V84 HydrophobicContact CE1-CG2 3.59Å; F80-V84 PolarHBondContact O-N 2.99Å
81H93.6Very high93.7Very high31 Ų3148.4 Ų48.414%0.14426%0.262CS..Hα-helixtrans-57.7-36.7174.3-57.1164.3000112.4V73 G77 K78 V84 C85 F120 F126V73-H81 PolarHBondContact O-CD2 3.41Å; V73-H81 PolarHBondContact O-NE2 2.99Å; G77-H81 PolarHBondContact O-CD2 3.13Å; G77-H81 PolarHBondContact O-N 3.33Å; K78-H81 PolarHBondContact O-N 3.45Å; H81-V84 PolarHBondContact O-N 2.94Å; H81-C85 VanDerWaalsContact O-CB 3.25Å; H81-C85 WeakPolarHBondContact O-CB 3.34Å; H81-C85 PolarHBondContact O-N 3.32Å; H81-C85 PolarHBondContact O-SG 3.06Å; H81-F120 HydrophobicContact CB-CZ 4.22Å; H81-F120 AromaticContact CD2-CE1 3.77Å; H81-F120 AromaticContact CD2-CZ 3.52Å; H81-F120 AromaticContact CE1-CE1 3.72Å; H81-F120 AromaticContact CG-CE1 3.83Å; H81-F120 AromaticContact CG-CZ 3.76Å; H81-F120 AromaticContact ND1-CE1 3.84Å; H81-F120 AromaticContact NE2-CE1 3.7Å; H81-F120 AromaticContact NE2-CZ 3.88Å; H81-F126 HydrophobicContact CB-CD1 4.22Å; H81-F126 HydrophobicContact CB-CE1 3.56Å; H81-F126 HydrophobicContact CB-CE2 4Å; H81-F126 HydrophobicContact CB-CZ 3.44Å; H81-F126 VanDerWaalsContact CB-CZ 3.44Å
82L91.9Very high93.5Very high83 Ų8351.8 Ų51.844%0.43528%0.276SS..Hα-helixtrans-63.7-38.2175.2-75167.7000113.3K78 F80 C85 S86 F126K78-L82 HydrophobicContact CG-CD1 4.38Å; K78-L82 WeakPolarHBondContact O-CG 3.45Å; K78-L82 PolarHBondContact O-N 3.34Å; K78-L82 VanDerWaalsContact O-N 3.14Å; F80-L82 PolarHBondContact O-N 2.91Å; L82-C85 CarbonylContact O-C 3.52Å; L82-C85 PolarHBondContact O-N 2.97Å; L82-S86 PolarHBondContact O-N 3.44Å; L82-F126 HydrophobicContact CD2-CE1 4.04Å; L82-F126 HydrophobicContact CG-CE1 4.17Å
83E94.8Very high93.4Very high50 Ų5051.8 Ų51.823%0.23428%0.276CS..Hα-helixtrans-74.7-37.5178.1-67.7-67.1147.900111.5A43 K44 L47 F80 C85 S86A43-E83 HydrophobicContact CB-CG 4.08Å; K44-E83 HydrophobicContact CB-CG 4.15Å; K44-E83 WeakPolarHBondContact CB-OE2 3.42Å; K44-E83 WeakPolarHBondContact CG-OE2 3.37Å; L47-E83 HydrophobicContact CD2-CB 3.71Å; L47-E83 WeakPolarHBondContact CD2-O 3.38Å; F80-E83 PolarHBondContact O-N 3.26Å; F80-E83 VanDerWaalsContact O-N 3.09Å; E83-C85 VanDerWaalsContact C-N 3.33Å; E83-S86 WeakPolarHBondContact O-CB 3.33Å; E83-S86 PolarHBondContact O-N 3.36Å
84V94.3Very high93.2Very high0 Ų054.1 Ų54.10%029%0.285CS..Hα-helixtrans-65.7-36.8170.8170.60000111.1L47 V73 F80 H81 S86 F89 W116 I129L47-V84 HydrophobicContact CD1-CG2 4.39Å; L47-V84 HydrophobicContact CD2-CG2 4.4Å; V73-V84 HydrophobicContact CG2-CG2 3.85Å; F80-V84 HydrophobicContact CD1-CG2 3.79Å; F80-V84 HydrophobicContact CE1-CG2 3.59Å; F80-V84 PolarHBondContact O-N 2.99Å; H81-V84 PolarHBondContact O-N 2.94Å; V84-S86 PolarHBondContact O-N 3.24Å; V84-S86 VanDerWaalsContact O-N 3.12Å; V84-F89 HydrophobicContact CG1-CD1 4.08Å; V84-F89 HydrophobicContact CG1-CE1 3.83Å; V84-F89 HydrophobicContact CG1-CZ 4.25Å; V84-F89 WeakPolarHBondContact O-CB 3.22Å; V84-F89 WeakPolarHBondContact O-CD1 3.21Å; V84-F89 WeakPolarHBondContact O-CG 3.47Å; V84-W116 HydrophobicContact CG1-CE3 3.75Å; V84-W116 HydrophobicContact CG1-CZ3 3.8Å; V84-I129 HydrophobicContact CG1-CD1 4.03Å
85C92.9Very high93.1Very high17 Ų1751.9 Ų51.912%0.11527%0.266CS..THydrogen-bonded Turntrans-82.627.4173-610000113.3H81 L82 E83 F126 L128H81-C85 VanDerWaalsContact O-CB 3.25Å; H81-C85 WeakPolarHBondContact O-CB 3.34Å; H81-C85 PolarHBondContact O-N 3.32Å; H81-C85 PolarHBondContact O-SG 3.06Å; L82-C85 CarbonylContact O-C 3.52Å; L82-C85 PolarHBondContact O-N 2.97Å; E83-C85 VanDerWaalsContact C-N 3.33Å; C85-F126 HydrophobicContact CB-CD1 3.87Å; C85-F126 VanDerWaalsContact SG-CA 3.58Å; C85-F126 VanDerWaalsContact SG-CB 3.53Å; C85-F126 WeakPolarHBondContact SG-CD1 3.43Å; C85-L128 WeakPolarHBondContact O-CD2 3.46Å
86S93.1Very high92.9Very high27 Ų2747.4 Ų47.419%0.18924%0.242CC..SBendtrans-88.2151.3171-179.50000112.7L82 E83 V84 D88 F89 A90 L128L82-S86 PolarHBondContact O-N 3.44Å; E83-S86 WeakPolarHBondContact O-CB 3.33Å; E83-S86 PolarHBondContact O-N 3.36Å; V84-S86 PolarHBondContact O-N 3.24Å; V84-S86 VanDerWaalsContact O-N 3.12Å; S86-D88 PolarHBondContact O-N 2.98Å; S86-D88 PolarHBondContact OG-N 3.43Å; S86-D88 VanDerWaalsContact OG-N 3.13Å; S86-D88 PolarHBondContact OG-OD2 2.81Å; S86-F89 PolarHBondContact O-N 2.71Å; S86-A90 PolarHBondContact O-N 3.47Å; S86-L128 VanDerWaalsContact C-CD2 3.44Å
87R91.2Very high92.7Very high195 Ų19547.4 Ų47.474%0.73624%0.241SC*.Hα-helixtrans-63.1-28.5169.2-171.4175.266.1160.20.6112.2T91R87-T91 WeakPolarHBondContact O-CB 3.46Å; R87-T91 PolarHBondContact O-N 3.34Å; R87-T91 PolarHBondContact O-OG1 3.2Å
88D91.9Very high92.5Very high108 Ų10851.5 Ų51.558%0.57825%0.252SS*.Hα-helixtrans-66-49.1176.7-58.6-47.3000110.1S86 A90 T91 E92S86-D88 PolarHBondContact O-N 2.98Å; S86-D88 PolarHBondContact OG-N 3.43Å; S86-D88 VanDerWaalsContact OG-N 3.13Å; S86-D88 PolarHBondContact OG-OD2 2.81Å; D88-A90 PolarHBondContact O-N 2.94Å; D88-T91 WeakPolarHBondContact O-CB 3.47Å; D88-T91 PolarHBondContact O-N 3.39Å; D88-T91 VanDerWaalsContact O-N 3.16Å; D88-E92 PolarHBondContact O-N 3.29Å
89F95Very high92.2Very high7 Ų753 Ų533%0.03126%0.264CS..Hα-helixtrans-59.2-47.8174-178.3-98.6000112.1L47 M51 L69 V84 S86 T91 E92 V93 W116 I129L47-F89 HydrophobicContact CD1-CD2 4.03Å; L47-F89 HydrophobicContact CD1-CE2 4.17Å; L47-F89 HydrophobicContact CD2-CD2 4.21Å; M51-F89 HydrophobicContact CE-CD2 4.41Å; M51-F89 HydrophobicContact CE-CE2 4.21Å; M51-F89 HydrophobicContact CG-CD2 4.43Å; M51-F89 HydrophobicContact SD-CD2 4.2Å; M51-F89 HydrophobicContact SD-CE2 3.78Å; L69-F89 HydrophobicContact CD2-CE2 4.07Å; L69-F89 HydrophobicContact CD2-CZ 4.28Å; V84-F89 HydrophobicContact CG1-CD1 4.08Å; V84-F89 HydrophobicContact CG1-CE1 3.83Å; V84-F89 HydrophobicContact CG1-CZ 4.25Å; V84-F89 WeakPolarHBondContact O-CB 3.22Å; V84-F89 WeakPolarHBondContact O-CD1 3.21Å; V84-F89 WeakPolarHBondContact O-CG 3.47Å; S86-F89 PolarHBondContact O-N 2.71Å; F89-T91 PolarHBondContact O-N 3.4Å; F89-E92 PolarHBondContact O-N 3.37Å; F89-V93 HydrophobicContact CD1-CG2 3.96Å; F89-V93 HydrophobicContact CD2-CG2 4.27Å; F89-V93 HydrophobicContact CE1-CG2 3.49Å; F89-V93 VanDerWaalsContact CE1-CG2 3.49Å; F89-V93 HydrophobicContact CE2-CG2 3.82Å; F89-V93 HydrophobicContact CG-CG2 4.34Å; F89-V93 HydrophobicContact CZ-CG2 3.4Å; F89-V93 WeakPolarHBondContact O-CG2 3.4Å; F89-V93 PolarHBondContact O-N 3.15Å; F89-W116 HydrophobicContact CE1-CZ3 4.2Å; F89-W116 AromaticContact CZ-CZ3 3.85Å; F89-W116 HydrophobicContact CZ-CZ3 3.85Å; F89-I129 HydrophobicContact CD1-CD1 4.12Å; F89-I129 HydrophobicContact CE1-CD1 4.1Å
90A93.2Very high91Very high7 Ų757.8 Ų57.86%0.05828%0.281CS..Hα-helixtrans-59.6-30.7177.200000113.3S86 D88 R94 L128 T132S86-A90 PolarHBondContact O-N 3.47Å; D88-A90 PolarHBondContact O-N 2.94Å; A90-R94 WeakPolarHBondContact O-CG 3.4Å; A90-R94 PolarHBondContact O-N 3.25Å; A90-L128 HydrophobicContact CB-CD2 4.5Å; A90-T132 HydrophobicContact CB-CG2 4.12Å
91T93Very high89.9Confident83 Ų8359.4 Ų59.451%0.50930%0.295SS..Hα-helixtrans-75-45.8176.1-56.30000111.2R87 D88 F89 R94 A95R87-T91 WeakPolarHBondContact O-CB 3.46Å; R87-T91 PolarHBondContact O-N 3.34Å; R87-T91 PolarHBondContact O-OG1 3.2Å; D88-T91 WeakPolarHBondContact O-CB 3.47Å; D88-T91 PolarHBondContact O-N 3.39Å; D88-T91 VanDerWaalsContact O-N 3.16Å; F89-T91 PolarHBondContact O-N 3.4Å; T91-R94 PolarHBondContact O-N 2.84Å; T91-A95 PolarHBondContact O-N 2.9Å
92E93.4Very high89.6Confident79 Ų7961.8 Ų61.837%0.36931%0.306SS..Hα-helixtrans-60.4-44.3175.5-77.2-66.7127.800112.1M51 N55 D88 F89 R94 A95 V96M51-E92 HydrophobicContact CE-CB 3.59Å; M51-E92 HydrophobicContact CE-CG 4.5Å; N55-E92 PolarHBondContact ND2-OE2 2.71Å; D88-E92 PolarHBondContact O-N 3.29Å; F89-E92 PolarHBondContact O-N 3.37Å; E92-R94 PolarHBondContact O-N 3.43Å; E92-A95 CarbonylContact O-C 3.6Å; E92-A95 WeakPolarHBondContact O-CA 3.22Å; E92-A95 WeakPolarHBondContact O-CB 3.48Å; E92-A95 PolarHBondContact O-N 3.35Å; E92-V96 WeakPolarHBondContact O-CG2 3.39Å; E92-V96 PolarHBondContact O-N 2.66Å
93V93.6Very high89.6Confident0 Ų062.2 Ų62.20%031%0.314CS..Hα-helixtrans-63.8-40.5178.3172.10000112M51 F89 A95 V96 I97 L109 M113M51-V93 HydrophobicContact CE-CG2 4.29Å; F89-V93 HydrophobicContact CD1-CG2 3.96Å; F89-V93 HydrophobicContact CD2-CG2 4.27Å; F89-V93 HydrophobicContact CE1-CG2 3.49Å; F89-V93 VanDerWaalsContact CE1-CG2 3.49Å; F89-V93 HydrophobicContact CE2-CG2 3.82Å; F89-V93 HydrophobicContact CG-CG2 4.34Å; F89-V93 HydrophobicContact CZ-CG2 3.4Å; F89-V93 WeakPolarHBondContact O-CG2 3.4Å; F89-V93 PolarHBondContact O-N 3.15Å; V93-A95 VanDerWaalsContact C-N 3.3Å; V93-A95 PolarHBondContact O-N 3.08Å; V93-V96 PolarHBondContact O-N 3.31Å; V93-I97 HydrophobicContact CG1-CD1 3.85Å; V93-I97 WeakPolarHBondContact O-CB 3.42Å; V93-I97 WeakPolarHBondContact O-CG1 3.26Å; V93-I97 PolarHBondContact O-N 3.09Å; V93-I97 VanDerWaalsContact O-N 3.09Å; V93-L109 HydrophobicContact CB-CD2 4.48Å; V93-L109 HydrophobicContact CG1-CD1 4.38Å; V93-L109 HydrophobicContact CG1-CD2 3.95Å; V93-L109 HydrophobicContact CG1-CG 4.12Å; V93-L109 HydrophobicContact CG2-CD1 4.11Å; V93-L109 HydrophobicContact CG2-CD2 4.29Å; V93-M113 HydrophobicContact CG1-CE 4.18Å; V93-M113 HydrophobicContact CG1-CG 4.3Å; V93-M113 HydrophobicContact CG1-SD 3.43Å; V93-M113 WeakPolarHBondContact CG1-SD 3.4Å
94R92.1Very high89.4Confident54 Ų5466.1 Ų66.120%0.20433%0.33CS..Hα-helixtrans-60.7-40.2170.5-75.6178-167.7-112.85.9111.3A90 T91 E92 K98 S135 M136 E139A90-R94 WeakPolarHBondContact O-CG 3.4Å; A90-R94 PolarHBondContact O-N 3.25Å; T91-R94 PolarHBondContact O-N 2.84Å; E92-R94 PolarHBondContact O-N 3.43Å; R94-K98 WeakPolarHBondContact O-CB 3.46Å; R94-K98 VanDerWaalsContact O-CG 3.26Å; R94-K98 WeakPolarHBondContact O-CG 3.47Å; R94-K98 PolarHBondContact O-N 3.05Å; R94-S135 PolarHBondContact NH1-OG 3.47Å; R94-S135 VanDerWaalsContact NH2-CB 3.3Å; R94-S135 PolarHBondContact NH2-OG 2.93Å; R94-M136 HydrophobicContact CG-CE 4.06Å; R94-M136 HydrophobicContact CG-CG 4.04Å; R94-M136 HydrophobicContact CG-SD 3.6Å; R94-M136 VanDerWaalsContact CG-SD 3.6Å; R94-E139 IonicContact NH1-OE1 2.59Å; R94-E139 PolarHBondContact NH1-OE1 3.38Å; R94-E139 IonicContact NH1-OE2 2.97Å
95A92.1Very high89.3Confident30 Ų3066.2 Ų66.225%0.24833%0.331CS..Hα-helixtrans-64.7-50.2177.500000111.7T91 E92 V93 I97 K98 N99T91-A95 PolarHBondContact O-N 2.9Å; E92-A95 CarbonylContact O-C 3.6Å; E92-A95 WeakPolarHBondContact O-CA 3.22Å; E92-A95 WeakPolarHBondContact O-CB 3.48Å; E92-A95 PolarHBondContact O-N 3.35Å; V93-A95 VanDerWaalsContact C-N 3.3Å; V93-A95 PolarHBondContact O-N 3.08Å; A95-I97 VanDerWaalsContact C-N 3.32Å; A95-I97 PolarHBondContact O-N 3.09Å; A95-K98 PolarHBondContact O-N 2.64Å; A95-N99 WeakPolarHBondContact O-CB 3.4Å; A95-N99 PolarHBondContact O-N 3.49Å; A95-N99 PolarHBondContact O-ND2 3.15Å
96V91.1Very high89.3Confident1 Ų166.1 Ų66.11%0.00633%0.33CS..Hα-helixtrans-54.7-47177.5173.20000111.2M51 V54 E92 V93 A101 L109M51-V96 HydrophobicContact CE-CG2 4.5Å; V54-V96 HydrophobicContact CG1-CG1 4.31Å; V54-V96 HydrophobicContact CG1-CG2 4.2Å; E92-V96 WeakPolarHBondContact O-CG2 3.39Å; E92-V96 PolarHBondContact O-N 2.66Å; V93-V96 PolarHBondContact O-N 3.31Å; V96-A101 HydrophobicContact CG1-CB 3.87Å; V96-A101 WeakPolarHBondContact O-CB 3.42Å; V96-A101 PolarHBondContact O-N 3.39Å; V96-L109 HydrophobicContact CB-CD2 4.06Å; V96-L109 HydrophobicContact CG1-CD2 3.76Å
97I89.5Confident89.3Confident18 Ų1870.8 Ų70.89%0.09235%0.348CS..Hα-helixtrans-72.3-39.4-178.2-68.5168.5000112V93 A95 L109 K110 M136 I141V93-I97 HydrophobicContact CG1-CD1 3.85Å; V93-I97 WeakPolarHBondContact O-CB 3.42Å; V93-I97 WeakPolarHBondContact O-CG1 3.26Å; V93-I97 PolarHBondContact O-N 3.09Å; V93-I97 VanDerWaalsContact O-N 3.09Å; A95-I97 VanDerWaalsContact C-N 3.32Å; A95-I97 PolarHBondContact O-N 3.09Å; I97-L109 HydrophobicContact CD1-CD2 4.38Å; I97-L109 HydrophobicContact CG1-CD2 4.33Å; I97-K110 HydrophobicContact CD1-CG 3.84Å; I97-M136 HydrophobicContact CB-CE 4.08Å; I97-M136 HydrophobicContact CD1-CE 3.71Å; I97-M136 HydrophobicContact CG1-CE 4.47Å; I97-M136 HydrophobicContact CG2-CE 4.02Å; I97-I141 HydrophobicContact CG2-CD1 4.2Å; I97-I141 HydrophobicContact CG2-CG2 3.97Å
98K87.3Confident89.5Confident110 Ų11065.2 Ų65.248%0.47833%0.33SS..Hα-helixtrans-76.7-33.9179.7-73.2-177.1178.6-175.60113.7R94 A95 K100 E139R94-K98 WeakPolarHBondContact O-CB 3.46Å; R94-K98 VanDerWaalsContact O-CG 3.26Å; R94-K98 WeakPolarHBondContact O-CG 3.47Å; R94-K98 PolarHBondContact O-N 3.05Å; A95-K98 PolarHBondContact O-N 2.64Å; K98-K100 PolarHBondContact O-N 3.03Å; K98-K100 VanDerWaalsContact O-N 3.08Å; K98-E139 WeakPolarHBondContact CE-OE2 3.19Å; K98-E139 IonicContact NZ-OE1 2.83Å; K98-E139 PolarHBondContact NZ-OE1 2.94Å; K98-E139 IonicContact NZ-OE2 2.62Å; K98-E139 PolarHBondContact NZ-OE2 3.07Å
99N85.6Confident89.6Confident124 Ų12460.1 Ų60.166%0.66330%0.302SS*.THydrogen-bonded Turntrans-72.23.6178.8-67.6-18.4000113.1A95 A101A95-N99 WeakPolarHBondContact O-CB 3.4Å; A95-N99 PolarHBondContact O-N 3.49Å; A95-N99 PolarHBondContact O-ND2 3.15Å; N99-A101 VanDerWaalsContact C-N 3.35Å; N99-A101 PolarHBondContact O-N 3.47Å
100K66.1Low89.5Confident189 Ų18961.7 Ų61.782%0.82231%0.309SS*.THydrogen-bonded Turntrans54.648.8-178.6-58.3-178179.4-179.50111.9K98K98-K100 PolarHBondContact O-N 3.03Å; K98-K100 VanDerWaalsContact O-N 3.08Å
101A72.4Confident89.6Confident34 Ų3463.1 Ų63.128%0.28132%0.319SS..  trans-53.6157.1162.500000110.1V96 N99 C106V96-A101 HydrophobicContact CG1-CB 3.87Å; V96-A101 WeakPolarHBondContact O-CB 3.42Å; V96-A101 PolarHBondContact O-N 3.39Å; N99-A101 VanDerWaalsContact C-N 3.35Å; N99-A101 PolarHBondContact O-N 3.47Å; A101-C106 PolarHBondContact O-SG 2.97Å
102H88.1Confident89.7Confident81 Ų8159.6 Ų59.638%0.37530%0.297SS..  trans-46.6134.4-173.2177.3-94.8000112.2P59 K104 V105 C106P59-H102 HydrophobicContact CB-CB 3.72Å; P59-H102 VanDerWaalsContact CB-CG 3.47Å; H102-K104 VanDerWaalsContact C-N 3.32Å; H102-K104 PolarHBondContact O-N 3.12Å; H102-K104 VanDerWaalsContact O-N 3.13Å; H102-V105 HydrophobicContact CB-CG2 4.01Å; H102-V105 WeakPolarHBondContact O-CA 3.43Å; H102-V105 VanDerWaalsContact O-CB 3.31Å; H102-V105 WeakPolarHBondContact O-CB 3.23Å; H102-V105 PolarHBondContact O-N 3.47Å; H102-C106 PolarHBondContact O-N 2.85Å
103P90.1Very high89.7Confident92 Ų9255.9 Ų55.960%0.59728%0.279SS*.Hα-helixtrans-53.1-43.6-166.615.9-31.4000113.9V105 C106 E107P103-V105 VanDerWaalsContact C-N 3.28Å; P103-V105 PolarHBondContact O-N 2.93Å; P103-C106 PolarHBondContact O-N 3.03Å; P103-E107 WeakPolarHBondContact O-CB 3.27Å; P103-E107 PolarHBondContact O-N 3.04Å
104K90.9Very high89.8Confident133 Ų13356.3 Ų56.358%0.57828%0.282SS*.Hα-helixtrans-61.3-32.4176.8-62.7-171.8178-173.70113.7L63 H102 K108L63-K104 HydrophobicContact CD1-CB 4.32Å; L63-K104 HydrophobicContact CD2-CB 4.26Å; H102-K104 VanDerWaalsContact C-N 3.32Å; H102-K104 PolarHBondContact O-N 3.12Å; H102-K104 VanDerWaalsContact O-N 3.13Å; K104-K108 WeakPolarHBondContact O-CB 3.28Å; K104-K108 PolarHBondContact O-N 3.36Å
105V93.7Very high89.8Confident2 Ų259 Ų591%0.01230%0.297CS..Hα-helixtrans-70.7-47.3177.5-179.40000109.2V54 P59 A62 L63 L66 H102 P103 E107 L109V54-V105 HydrophobicContact CG1-CG1 4.45Å; P59-V105 HydrophobicContact CB-CG2 4.33Å; A62-V105 HydrophobicContact CB-CG1 3.93Å; A62-V105 HydrophobicContact CB-CG2 3.75Å; L63-V105 HydrophobicContact CD2-CG2 4.23Å; L63-V105 HydrophobicContact CG-CG2 4.05Å; L66-V105 HydrophobicContact CD1-CB 4.41Å; L66-V105 HydrophobicContact CD1-CG1 3.67Å; L66-V105 VanDerWaalsContact CD1-O 3.28Å; L66-V105 WeakPolarHBondContact CD1-O 3.38Å; H102-V105 HydrophobicContact CB-CG2 4.01Å; H102-V105 WeakPolarHBondContact O-CA 3.43Å; H102-V105 VanDerWaalsContact O-CB 3.31Å; H102-V105 WeakPolarHBondContact O-CB 3.23Å; H102-V105 PolarHBondContact O-N 3.47Å; P103-V105 VanDerWaalsContact C-N 3.28Å; P103-V105 PolarHBondContact O-N 2.93Å; V105-E107 VanDerWaalsContact C-N 3.3Å; V105-E107 PolarHBondContact O-N 3.47Å; V105-L109 VanDerWaalsContact O-CB 3.27Å; V105-L109 WeakPolarHBondContact O-CB 3.32Å; V105-L109 PolarHBondContact O-N 3.26Å
106C92.1Very high89.9Confident15 Ų1557.7 Ų57.710%0.10129%0.286CS..Hα-helixtrans-60.2-39.6174.5-70.20000112.4A101 H102 P103 K110A101-C106 PolarHBondContact O-SG 2.97Å; H102-C106 PolarHBondContact O-N 2.85Å; P103-C106 PolarHBondContact O-N 3.03Å; C106-K110 WeakPolarHBondContact O-CB 3.42Å; C106-K110 WeakPolarHBondContact O-CD 3.43Å; C106-K110 WeakPolarHBondContact O-CG 3.47Å; C106-K110 PolarHBondContact O-N 3.2Å
107E93.3Very high89.9Confident124 Ų12459 Ų5958%0.57929%0.294SS*.Hα-helixtrans-66.9-52.9178.4-174171.7-158.600111.6P103 V105 L109 K110 S111P103-E107 WeakPolarHBondContact O-CB 3.27Å; P103-E107 PolarHBondContact O-N 3.04Å; V105-E107 VanDerWaalsContact C-N 3.3Å; V105-E107 PolarHBondContact O-N 3.47Å; E107-L109 VanDerWaalsContact C-N 3.31Å; E107-L109 PolarHBondContact O-N 2.82Å; E107-K110 WeakPolarHBondContact O-CB 3.32Å; E107-K110 PolarHBondContact O-N 3.5Å; E107-K110 VanDerWaalsContact O-N 3.13Å; E107-S111 PolarHBondContact O-N 2.91Å; E107-S111 PolarHBondContact O-OG 3.41Å; E107-S111 VanDerWaalsContact O-OG 3.12Å
108K94.1Very high89.9Confident79 Ų7962.9 Ų62.934%0.34331%0.312SS..Hα-helixtrans-58.4-41.8176.7-173.669.5-177.3-75.30111.8L63 L66 T67 K104 S111 L112L63-K108 HydrophobicContact CD2-CB 4.15Å; L66-K108 HydrophobicContact CB-CG 4.23Å; L66-K108 HydrophobicContact CD1-CB 4Å; L66-K108 HydrophobicContact CD1-CG 4.19Å; T67-K108 PolarHBondContact OG1-NZ 3.11Å; K104-K108 WeakPolarHBondContact O-CB 3.28Å; K104-K108 PolarHBondContact O-N 3.36Å; K108-S111 PolarHBondContact O-N 2.86Å; K108-L112 WeakPolarHBondContact O-CG 3.4Å; K108-L112 PolarHBondContact O-N 3.07Å
109L94.6Very high89.9Confident0 Ų063.9 Ų63.90%032%0.319CS..Hα-helixtrans-64.4-40.4176.417956.6000112.5L66 V93 V96 I97 V105 E107 M113L66-L109 HydrophobicContact CD1-CB 4.01Å; L66-L109 HydrophobicContact CD2-CB 4.04Å; L66-L109 HydrophobicContact CD2-CD1 3.83Å; L66-L109 HydrophobicContact CD2-CG 4.38Å; V93-L109 HydrophobicContact CB-CD2 4.48Å; V93-L109 HydrophobicContact CG1-CD1 4.38Å; V93-L109 HydrophobicContact CG1-CD2 3.95Å; V93-L109 HydrophobicContact CG1-CG 4.12Å; V93-L109 HydrophobicContact CG2-CD1 4.11Å; V93-L109 HydrophobicContact CG2-CD2 4.29Å; V96-L109 HydrophobicContact CB-CD2 4.06Å; V96-L109 HydrophobicContact CG1-CD2 3.76Å; I97-L109 HydrophobicContact CD1-CD2 4.38Å; I97-L109 HydrophobicContact CG1-CD2 4.33Å; V105-L109 VanDerWaalsContact O-CB 3.27Å; V105-L109 WeakPolarHBondContact O-CB 3.32Å; V105-L109 PolarHBondContact O-N 3.26Å; E107-L109 VanDerWaalsContact C-N 3.31Å; E107-L109 PolarHBondContact O-N 2.82Å; L109-M113 WeakPolarHBondContact O-CG 3.34Å; L109-M113 PolarHBondContact O-N 3.43Å
110K93.7Very high90.1Very high41 Ų4158.7 Ų58.718%0.17829%0.29CS..Hα-helixtrans-65.3-39174.4-75.9169.8177.4-168.70112.5I97 C106 E107 M113 V114 T142 F143I97-K110 HydrophobicContact CD1-CG 3.84Å; C106-K110 WeakPolarHBondContact O-CB 3.42Å; C106-K110 WeakPolarHBondContact O-CD 3.43Å; C106-K110 WeakPolarHBondContact O-CG 3.47Å; C106-K110 PolarHBondContact O-N 3.2Å; E107-K110 WeakPolarHBondContact O-CB 3.32Å; E107-K110 PolarHBondContact O-N 3.5Å; E107-K110 VanDerWaalsContact O-N 3.13Å; K110-M113 PolarHBondContact O-N 3.08Å; K110-V114 WeakPolarHBondContact O-CG2 3.48Å; K110-V114 PolarHBondContact O-N 3.5Å; K110-V114 VanDerWaalsContact O-N 3.11Å; K110-T142 WeakPolarHBondContact CD-O 3.09Å; K110-T142 WeakPolarHBondContact CE-O 3.03Å; K110-T142 PolarHBondContact NZ-O 2.94Å; K110-F143 HydrophobicContact CB-CD1 3.8Å; K110-F143 HydrophobicContact CB-CE1 4.19Å; K110-F143 HydrophobicContact CG-CD1 3.84Å; K110-F143 HydrophobicContact CG-CE1 3.86Å
111S94.6Very high90.9Very high36 Ų3656.7 Ų56.725%0.25228%0.284SS..Hα-helixtrans-61.7-50176-55.60000110.9E107 K108 M113 V114 E115E107-S111 PolarHBondContact O-N 2.91Å; E107-S111 PolarHBondContact O-OG 3.41Å; E107-S111 VanDerWaalsContact O-OG 3.12Å; K108-S111 PolarHBondContact O-N 2.86Å; S111-M113 VanDerWaalsContact C-N 3.33Å; S111-M113 PolarHBondContact O-N 3.18Å; S111-V114 PolarHBondContact O-N 2.93Å; S111-E115 WeakPolarHBondContact O-CB 3.47Å; S111-E115 PolarHBondContact O-N 3.23Å
112L94.9Very high91.4Very high9 Ų963.6 Ų63.65%0.04731%0.307CS..Hα-helixtrans-57.1-43175.6-72172.4000112.4L66 K108 V114 E115 W116L66-L112 HydrophobicContact CB-CD1 4.24Å; L66-L112 HydrophobicContact CD2-CD1 4.47Å; L66-L112 WeakPolarHBondContact O-CD1 3.4Å; K108-L112 WeakPolarHBondContact O-CG 3.4Å; K108-L112 PolarHBondContact O-N 3.07Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 2.88Å; L112-E115 PolarHBondContact O-N 2.95Å; L112-W116 HydrophobicContact CB-CD2 4.48Å; L112-W116 HydrophobicContact CB-CH2 3.9Å; L112-W116 HydrophobicContact CB-CZ2 3.67Å; L112-W116 HydrophobicContact CB-CZ3 4.42Å; L112-W116 HydrophobicContact CD1-CH2 4.3Å; L112-W116 HydrophobicContact CD1-CZ2 4.11Å; L112-W116 HydrophobicContact CD2-CZ2 3.88Å; L112-W116 HydrophobicContact CG-CZ2 4.09Å; L112-W116 WeakPolarHBondContact O-CB 3.3Å; L112-W116 PolarHBondContact O-N 3.3Å
113M94.4Very high91.1Very high1 Ų161.9 Ų61.91%0.00530%0.301CS..Hα-helixtrans-58.5-43.4174.4-75.9-162.789.400112.7V93 L109 K110 S111 S117 I129 T132 I133 F143V93-M113 HydrophobicContact CG1-CE 4.18Å; V93-M113 HydrophobicContact CG1-CG 4.3Å; V93-M113 HydrophobicContact CG1-SD 3.43Å; V93-M113 WeakPolarHBondContact CG1-SD 3.4Å; L109-M113 WeakPolarHBondContact O-CG 3.34Å; L109-M113 PolarHBondContact O-N 3.43Å; K110-M113 PolarHBondContact O-N 3.08Å; S111-M113 VanDerWaalsContact C-N 3.33Å; S111-M113 PolarHBondContact O-N 3.18Å; M113-S117 WeakPolarHBondContact O-CB 3.39Å; M113-S117 PolarHBondContact O-N 3.39Å; M113-I129 HydrophobicContact CE-CG2 4.37Å; M113-T132 HydrophobicContact CE-CG2 3.89Å; M113-I133 HydrophobicContact CB-CD1 3.92Å; M113-I133 HydrophobicContact CB-CG1 4.11Å; M113-I133 HydrophobicContact CE-CD1 4.46Å; M113-I133 HydrophobicContact CE-CG1 3.76Å; M113-I133 WeakPolarHBondContact O-CD1 3.43Å; M113-I133 HydrophobicContact SD-CG1 4.22Å; M113-F143 HydrophobicContact CB-CE1 4.36Å; M113-F143 HydrophobicContact SD-CE1 3.89Å; M113-F143 HydrophobicContact SD-CZ 4.38Å
114V94.9Very high90.7Very high10 Ų1062.6 Ų62.66%0.06131%0.306CS..Hα-helixtrans-66.4-49.3-179.1169.30000110.4K110 S111 L112 W116 S117 E118 F143 P144 A146K110-V114 WeakPolarHBondContact O-CG2 3.48Å; K110-V114 PolarHBondContact O-N 3.5Å; K110-V114 VanDerWaalsContact O-N 3.11Å; S111-V114 PolarHBondContact O-N 2.93Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 2.88Å; V114-W116 PolarHBondContact O-N 3.03Å; V114-S117 WeakPolarHBondContact O-CB 3.29Å; V114-S117 PolarHBondContact O-N 3.32Å; V114-S117 PolarHBondContact O-OG 3.12Å; V114-E118 PolarHBondContact O-N 3.42Å; V114-F143 HydrophobicContact CG2-CB 3.93Å; V114-F143 HydrophobicContact CG2-CD1 3.92Å; V114-F143 HydrophobicContact CG2-CG 4.32Å; V114-P144 HydrophobicContact CG2-CG 4.48Å; V114-A146 HydrophobicContact CG1-CB 3.65Å
115E93.5Very high90.2Very high109 Ų10962 Ų6251%0.50931%0.305SS..Hα-helixtrans-50.4-54.3174.6-175.9-171.7128.800111.4S111 L112 S117 E118 E119S111-E115 WeakPolarHBondContact O-CB 3.47Å; S111-E115 PolarHBondContact O-N 3.23Å; L112-E115 PolarHBondContact O-N 2.95Å; E115-S117 VanDerWaalsContact C-N 3.26Å; E115-S117 PolarHBondContact O-N 3.14Å; E115-E118 PolarHBondContact O-N 3.28Å; E115-E118 VanDerWaalsContact O-N 3.14Å; E115-E119 PolarHBondContact O-N 2.97Å
116W93.8Very high89.9Confident4 Ų462.4 Ų62.42%0.01531%0.306CS..Hα-helixtrans-67.3-25.3179.2-55.3-18.9000113.4L69 V73 V84 F89 L112 V114 E118 F120L69-W116 HydrophobicContact CD2-CH2 3.78Å; L69-W116 HydrophobicContact CG-CH2 3.79Å; L69-W116 HydrophobicContact CG-CZ2 4.4Å; V73-W116 HydrophobicContact CB-CZ2 4.06Å; V73-W116 HydrophobicContact CG1-CD2 4.15Å; V73-W116 HydrophobicContact CG1-CG 4.16Å; V73-W116 HydrophobicContact CG1-CZ2 4.39Å; V73-W116 HydrophobicContact CG2-CD2 4.34Å; V73-W116 HydrophobicContact CG2-CH2 3.98Å; V73-W116 HydrophobicContact CG2-CZ2 3.64Å; V73-W116 HydrophobicContact CG2-CZ3 4.43Å; V84-W116 HydrophobicContact CG1-CE3 3.75Å; V84-W116 HydrophobicContact CG1-CZ3 3.8Å; F89-W116 HydrophobicContact CE1-CZ3 4.2Å; F89-W116 AromaticContact CZ-CZ3 3.85Å; F89-W116 HydrophobicContact CZ-CZ3 3.85Å; L112-W116 HydrophobicContact CB-CD2 4.48Å; L112-W116 HydrophobicContact CB-CH2 3.9Å; L112-W116 HydrophobicContact CB-CZ2 3.67Å; L112-W116 HydrophobicContact CB-CZ3 4.42Å; L112-W116 HydrophobicContact CD1-CH2 4.3Å; L112-W116 HydrophobicContact CD1-CZ2 4.11Å; L112-W116 HydrophobicContact CD2-CZ2 3.88Å; L112-W116 HydrophobicContact CG-CZ2 4.09Å; L112-W116 WeakPolarHBondContact O-CB 3.3Å; L112-W116 PolarHBondContact O-N 3.3Å; V114-W116 PolarHBondContact O-N 3.03Å; W116-E118 PolarHBondContact O-N 3Å; W116-F120 HydrophobicContact CB-CD2 4.01Å; W116-F120 HydrophobicContact CB-CE2 3.69Å; W116-F120 HydrophobicContact CB-CZ 4.13Å; W116-F120 HydrophobicContact CG-CE2 4.25Å; W116-F120 HydrophobicContact CG-CZ 4.34Å; W116-F120 WeakPolarHBondContact O-CB 3.09Å; W116-F120 WeakPolarHBondContact O-CD2 3.24Å; W116-F120 WeakPolarHBondContact O-CG 3.19Å; W116-F120 PolarHBondContact O-N 3.12Å
117S91.1Very high89.7Confident27 Ų2764.9 Ų64.919%0.18932%0.324CS..Hα-helixtrans-70.6-22.5176.377.60000113.5M113 V114 E115M113-S117 WeakPolarHBondContact O-CB 3.39Å; M113-S117 PolarHBondContact O-N 3.39Å; V114-S117 WeakPolarHBondContact O-CB 3.29Å; V114-S117 PolarHBondContact O-N 3.32Å; V114-S117 PolarHBondContact O-OG 3.12Å; E115-S117 VanDerWaalsContact C-N 3.26Å; E115-S117 PolarHBondContact O-N 3.14Å
118E89.4Confident89.6Confident100 Ų10061.8 Ų61.847%0.46731%0.311SS..Hα-helixtrans-93.8-44175-61.9-168164.500111.3V114 E115 W116 F120 Q121 A146V114-E118 PolarHBondContact O-N 3.42Å; E115-E118 PolarHBondContact O-N 3.28Å; E115-E118 VanDerWaalsContact O-N 3.14Å; W116-E118 PolarHBondContact O-N 3Å; E118-F120 VanDerWaalsContact C-N 3.27Å; E118-F120 PolarHBondContact O-N 3.37Å; E118-Q121 VanDerWaalsContact O-CB 3.3Å; E118-Q121 WeakPolarHBondContact O-CB 3.45Å; E118-Q121 WeakPolarHBondContact O-CG 3.35Å; E118-Q121 PolarHBondContact O-N 3.11Å; E118-Q121 VanDerWaalsContact O-N 3.12Å; E118-A146 HydrophobicContact CG-CB 4.43Å; E118-A146 WeakPolarHBondContact OE1-CB 3.35Å; E118-A146 WeakPolarHBondContact OE2-CB 3.49Å
119E87.3Confident89.5Confident132 Ų13258.1 Ų58.162%0.61730%0.295SS*.Hα-helixtrans-54.5-45.2174.5-170.561.8-100.700111.3E115 Q121E115-E119 PolarHBondContact O-N 2.97Å; E119-Q121 VanDerWaalsContact C-N 3.32Å; E119-Q121 PolarHBondContact O-N 3.43Å
120F88.1Confident89.3Confident14 Ų1460.8 Ų60.86%0.06131%0.314CS..G310 helixtrans-85.93.6-177.3-55.3-21.9000114.5V73 H81 W116 E118 K122 D123 F126V73-F120 HydrophobicContact CG1-CE1 4.41Å; V73-F120 HydrophobicContact CG1-CZ 3.71Å; H81-F120 HydrophobicContact CB-CZ 4.22Å; H81-F120 AromaticContact CD2-CE1 3.77Å; H81-F120 AromaticContact CD2-CZ 3.52Å; H81-F120 AromaticContact CE1-CE1 3.72Å; H81-F120 AromaticContact CG-CE1 3.83Å; H81-F120 AromaticContact CG-CZ 3.76Å; H81-F120 AromaticContact ND1-CE1 3.84Å; H81-F120 AromaticContact NE2-CE1 3.7Å; H81-F120 AromaticContact NE2-CZ 3.88Å; W116-F120 HydrophobicContact CB-CD2 4.01Å; W116-F120 HydrophobicContact CB-CE2 3.69Å; W116-F120 HydrophobicContact CB-CZ 4.13Å; W116-F120 HydrophobicContact CG-CE2 4.25Å; W116-F120 HydrophobicContact CG-CZ 4.34Å; W116-F120 WeakPolarHBondContact O-CB 3.09Å; W116-F120 WeakPolarHBondContact O-CD2 3.24Å; W116-F120 WeakPolarHBondContact O-CG 3.19Å; W116-F120 PolarHBondContact O-N 3.12Å; E118-F120 VanDerWaalsContact C-N 3.27Å; E118-F120 PolarHBondContact O-N 3.37Å; F120-K122 PolarHBondContact O-N 2.95Å; F120-D123 PolarHBondContact O-N 3.06Å; F120-D123 VanDerWaalsContact O-N 3.11Å; F120-F126 HydrophobicContact CB-CB 3.57Å; F120-F126 HydrophobicContact CB-CD2 3.9Å; F120-F126 HydrophobicContact CB-CG 4.15Å; F120-F126 HydrophobicContact CD1-CD2 4.29Å; F120-F126 HydrophobicContact CD2-CB 3.96Å; F120-F126 HydrophobicContact CD2-CD2 4.46Å; F120-F126 HydrophobicContact CD2-CG 4.3Å; F120-F126 HydrophobicContact CG-CB 4Å; F120-F126 AromaticContact CG-CD2 3.98Å; F120-F126 HydrophobicContact CG-CD2 3.98Å; F120-F126 HydrophobicContact CG-CG 4.23Å
121Q83.6Confident89.2Confident147 Ų14761.5 Ų61.569%0.68733%0.327SS*.G310 helixtrans-60.9-20.5-173.377-172.1-10.800114.2E118 E119E118-Q121 VanDerWaalsContact O-CB 3.3Å; E118-Q121 WeakPolarHBondContact O-CB 3.45Å; E118-Q121 WeakPolarHBondContact O-CG 3.35Å; E118-Q121 PolarHBondContact O-N 3.11Å; E118-Q121 VanDerWaalsContact O-N 3.12Å; E119-Q121 VanDerWaalsContact C-N 3.32Å; E119-Q121 PolarHBondContact O-N 3.43Å
122K82.3Confident89.1Confident179 Ų17960 Ų6078%0.77832%0.317SS*.G310 helixtrans-80.8-20.2-179-62.7171-174.5162.30113.7F120F120-K122 PolarHBondContact O-N 2.95Å
123D82Confident89Confident46 Ų4659.9 Ų59.925%0.24632%0.316CS..  trans-115.4108.8-175.8-166.8-21000110.9K78 F120 Q125 F126K78-D123 IonicContact NZ-OD1 2.89Å; K78-D123 IonicContact NZ-OD2 3.47Å; K78-D123 PolarHBondContact NZ-OD2 2.67Å; F120-D123 PolarHBondContact O-N 3.06Å; F120-D123 VanDerWaalsContact O-N 3.11Å; D123-Q125 PolarHBondContact O-N 3.42Å; D123-Q125 WeakPolarHBondContact OD1-CG 3.36Å; D123-Q125 PolarHBondContact OD1-N 3.11Å; D123-F126 HydrophobicContact CB-CD2 3.72Å; D123-F126 HydrophobicContact CB-CE2 3.97Å; D123-F126 PolarHBondContact O-N 2.98Å
124P82.4Confident88.9Confident106 Ų10666.3 Ų66.369%0.68834%0.344SS*.G310 helixtrans-56.1-23.6-176-27.635.3000114.9F126 S127P124-F126 PolarHBondContact O-N 3.47Å; P124-S127 WeakPolarHBondContact O-CB 3.43Å; P124-S127 PolarHBondContact O-N 3.4Å; P124-S127 PolarHBondContact O-OG 3.43Å
125Q80.1Confident88.8Confident120 Ų12067.6 Ų67.656%0.56135%0.353SS*.G310 helixtrans-63.9-22.3179-57.5-164.9-7800113D123D123-Q125 PolarHBondContact O-N 3.42Å; D123-Q125 WeakPolarHBondContact OD1-CG 3.36Å; D123-Q125 PolarHBondContact OD1-N 3.11Å
126F86.9Confident88.7Confident11 Ų1162.4 Ų62.45%0.04833%0.329CS..G310 helixtrans-101.84.1-176.5-56.5-37.4000114K78 H81 L82 C85 F120 D123 P124 L128 I129K78-F126 HydrophobicContact CD-CZ 4.14Å; K78-F126 HydrophobicContact CG-CZ 4.06Å; H81-F126 HydrophobicContact CB-CD1 4.22Å; H81-F126 HydrophobicContact CB-CE1 3.56Å; H81-F126 HydrophobicContact CB-CE2 4Å; H81-F126 HydrophobicContact CB-CZ 3.44Å; H81-F126 VanDerWaalsContact CB-CZ 3.44Å; L82-F126 HydrophobicContact CD2-CE1 4.04Å; L82-F126 HydrophobicContact CG-CE1 4.17Å; C85-F126 HydrophobicContact CB-CD1 3.87Å; C85-F126 VanDerWaalsContact SG-CA 3.58Å; C85-F126 VanDerWaalsContact SG-CB 3.53Å; C85-F126 WeakPolarHBondContact SG-CD1 3.43Å; F120-F126 HydrophobicContact CB-CB 3.57Å; F120-F126 HydrophobicContact CB-CD2 3.9Å; F120-F126 HydrophobicContact CB-CG 4.15Å; F120-F126 HydrophobicContact CD1-CD2 4.29Å; F120-F126 HydrophobicContact CD2-CB 3.96Å; F120-F126 HydrophobicContact CD2-CD2 4.46Å; F120-F126 HydrophobicContact CD2-CG 4.3Å; F120-F126 HydrophobicContact CG-CB 4Å; F120-F126 AromaticContact CG-CD2 3.98Å; F120-F126 HydrophobicContact CG-CD2 3.98Å; F120-F126 HydrophobicContact CG-CG 4.23Å; D123-F126 HydrophobicContact CB-CD2 3.72Å; D123-F126 HydrophobicContact CB-CE2 3.97Å; D123-F126 PolarHBondContact O-N 2.98Å; P124-F126 PolarHBondContact O-N 3.47Å; F126-L128 PolarHBondContact O-N 3.31Å; F126-I129 PolarHBondContact O-N 3.04Å
127S89.1Confident88.6Confident68 Ų6867.6 Ų67.648%0.47635%0.352SS..Hα-helixtrans-57.3-12.2177.158.50000115.1P124 I129 S130 A131P124-S127 WeakPolarHBondContact O-CB 3.43Å; P124-S127 PolarHBondContact O-N 3.4Å; P124-S127 PolarHBondContact O-OG 3.43Å; S127-I129 VanDerWaalsContact C-N 3.29Å; S127-I129 PolarHBondContact O-N 3.1Å; S127-S130 PolarHBondContact O-OG 3.48Å; S127-S130 VanDerWaalsContact O-OG 3.1Å; S127-A131 VanDerWaalsContact O-CB 3.28Å; S127-A131 WeakPolarHBondContact O-CB 3.46Å; S127-A131 PolarHBondContact O-N 3.45Å
128L91.2Very high88.7Confident59 Ų5973.3 Ų73.331%0.30938%0.376SS..Hα-helixtrans-62.1-33.8174.7-173.463.4000112.9C85 S86 A90 F126 T132C85-L128 WeakPolarHBondContact O-CD2 3.46Å; S86-L128 VanDerWaalsContact C-CD2 3.44Å; A90-L128 HydrophobicContact CB-CD2 4.5Å; F126-L128 PolarHBondContact O-N 3.31Å; L128-T132 VanDerWaalsContact O-CB 3.26Å; L128-T132 WeakPolarHBondContact O-CB 3.45Å; L128-T132 PolarHBondContact O-N 3.43Å; L128-T132 PolarHBondContact O-OG1 3.01Å
129I91.1Very high88.8Confident1 Ų173 Ų731%0.00537%0.374CS..Hα-helixtrans-67.5-50.9179.2-64.8-60.9000110.4V84 F89 M113 F126 S127 A131 T132 I133V84-I129 HydrophobicContact CG1-CD1 4.03Å; F89-I129 HydrophobicContact CD1-CD1 4.12Å; F89-I129 HydrophobicContact CE1-CD1 4.1Å; M113-I129 HydrophobicContact CE-CG2 4.37Å; F126-I129 PolarHBondContact O-N 3.04Å; S127-I129 VanDerWaalsContact C-N 3.29Å; S127-I129 PolarHBondContact O-N 3.1Å; I129-A131 PolarHBondContact O-N 2.97Å; I129-T132 WeakPolarHBondContact O-CB 3.13Å; I129-T132 PolarHBondContact O-N 2.78Å; I129-T132 VanDerWaalsContact O-N 3.13Å; I129-I133 HydrophobicContact CG2-CD1 3.98Å; I129-I133 WeakPolarHBondContact O-CG1 3.37Å; I129-I133 PolarHBondContact O-N 2.85Å
130S91.1Very high88.8Confident57 Ų5769.7 Ų69.740%0.39938%0.375SS..Hα-helixtrans-64.8-3717861.60000112.5S127 I133 K134S127-S130 PolarHBondContact O-OG 3.48Å; S127-S130 VanDerWaalsContact O-OG 3.1Å; S130-I133 PolarHBondContact O-N 3.11Å; S130-K134 WeakPolarHBondContact O-CB 3.42Å; S130-K134 PolarHBondContact O-N 2.97Å
131A92.1Very high88.8Confident55 Ų5570.2 Ų70.246%0.45538%0.379SS..Hα-helixtrans-63.3-39.8171.500000112.6S127 I129 K134 S135S127-A131 VanDerWaalsContact O-CB 3.28Å; S127-A131 WeakPolarHBondContact O-CB 3.46Å; S127-A131 PolarHBondContact O-N 3.45Å; I129-A131 PolarHBondContact O-N 2.97Å; A131-K134 PolarHBondContact O-N 3.01Å; A131-S135 WeakPolarHBondContact O-CB 3.48Å; A131-S135 PolarHBondContact O-N 3.26Å
132T91.3Very high89.2Confident5 Ų568.7 Ų68.73%0.03138%0.38CS..Hα-helixtrans-65.8-45.3176.8-62.60000111.1A90 M113 L128 I129 K134 S135 M136A90-T132 HydrophobicContact CB-CG2 4.12Å; M113-T132 HydrophobicContact CE-CG2 3.89Å; L128-T132 VanDerWaalsContact O-CB 3.26Å; L128-T132 WeakPolarHBondContact O-CB 3.45Å; L128-T132 PolarHBondContact O-N 3.43Å; L128-T132 PolarHBondContact O-OG1 3.01Å; I129-T132 WeakPolarHBondContact O-CB 3.13Å; I129-T132 PolarHBondContact O-N 2.78Å; I129-T132 VanDerWaalsContact O-N 3.13Å; T132-K134 PolarHBondContact O-N 3.42Å; T132-S135 PolarHBondContact O-N 3.25Å; T132-M136 HydrophobicContact CG2-CG 4.43Å; T132-M136 HydrophobicContact CG2-SD 3.84Å; T132-M136 WeakPolarHBondContact O-CB 3.46Å; T132-M136 VanDerWaalsContact O-CG 3.25Å; T132-M136 WeakPolarHBondContact O-CG 3.41Å; T132-M136 PolarHBondContact O-N 2.98Å
133I93.1Very high89.6Confident6 Ų661 Ų613%0.03135%0.346CS..Hα-helixtrans-59.9-45.6175.5-65.2163.4000110.9M113 I129 S130 M136 K137 F143M113-I133 HydrophobicContact CB-CD1 3.92Å; M113-I133 HydrophobicContact CB-CG1 4.11Å; M113-I133 HydrophobicContact CE-CD1 4.46Å; M113-I133 HydrophobicContact CE-CG1 3.76Å; M113-I133 WeakPolarHBondContact O-CD1 3.43Å; M113-I133 HydrophobicContact SD-CG1 4.22Å; I129-I133 HydrophobicContact CG2-CD1 3.98Å; I129-I133 WeakPolarHBondContact O-CG1 3.37Å; I129-I133 PolarHBondContact O-N 2.85Å; S130-I133 PolarHBondContact O-N 3.11Å; I133-M136 PolarHBondContact O-N 3.46Å; I133-K137 HydrophobicContact CG2-CD 4.06Å; I133-K137 HydrophobicContact CG2-CG 4.43Å; I133-K137 WeakPolarHBondContact O-CG 3.3Å; I133-K137 PolarHBondContact O-N 2.62Å; I133-F143 HydrophobicContact CB-CE1 4.48Å; I133-F143 HydrophobicContact CB-CZ 4.35Å; I133-F143 HydrophobicContact CG1-CE1 3.99Å; I133-F143 HydrophobicContact CG1-CZ 4.24Å; I133-F143 HydrophobicContact CG2-CD1 4.14Å; I133-F143 HydrophobicContact CG2-CD2 4.05Å; I133-F143 HydrophobicContact CG2-CE1 4.14Å; I133-F143 HydrophobicContact CG2-CE2 4.06Å; I133-F143 HydrophobicContact CG2-CG 4.09Å; I133-F143 HydrophobicContact CG2-CZ 4.11Å
134K92.8Very high89.9Confident137 Ų13760.8 Ų60.860%0.59635%0.347SS*.Hα-helixtrans-58.5-51.8177.3179.5177.8-70.2-177.30111.5S130 A131 T132 M136 K137 E138S130-K134 WeakPolarHBondContact O-CB 3.42Å; S130-K134 PolarHBondContact O-N 2.97Å; A131-K134 PolarHBondContact O-N 3.01Å; T132-K134 PolarHBondContact O-N 3.42Å; K134-M136 VanDerWaalsContact C-N 3.27Å; K134-M136 PolarHBondContact O-N 3.49Å; K134-K137 WeakPolarHBondContact O-CB 3.49Å; K134-K137 PolarHBondContact O-N 3.31Å; K134-K137 VanDerWaalsContact O-N 3.11Å; K134-E138 WeakPolarHBondContact CG-OE1 3.4Å; K134-E138 WeakPolarHBondContact O-CG 3.46Å; K134-E138 PolarHBondContact O-N 3.49Å
135S93Very high89.8Confident36 Ų3660.5 Ų60.525%0.25235%0.345SS..Hα-helixtrans-61.4-34.3177.7165.20000112.6R94 A131 T132 E138 E139R94-S135 PolarHBondContact NH1-OG 3.47Å; R94-S135 VanDerWaalsContact NH2-CB 3.3Å; R94-S135 PolarHBondContact NH2-OG 2.93Å; A131-S135 WeakPolarHBondContact O-CB 3.48Å; A131-S135 PolarHBondContact O-N 3.26Å; T132-S135 PolarHBondContact O-N 3.25Å; S135-E138 PolarHBondContact O-N 3.45Å; S135-E139 WeakPolarHBondContact O-CG 3.39Å; S135-E139 PolarHBondContact O-N 2.95Å; S135-E139 VanDerWaalsContact O-N 3.13Å
136M91.4Very high88.9Confident0 Ų056.6 Ų56.60%033%0.333CS..Hα-helixtrans-72.2-35.4174.4-71.9178.974.900112.6R94 I97 T132 I133 K134 E138 E139 G140 I141 F143R94-M136 HydrophobicContact CG-CE 4.06Å; R94-M136 HydrophobicContact CG-CG 4.04Å; R94-M136 HydrophobicContact CG-SD 3.6Å; R94-M136 VanDerWaalsContact CG-SD 3.6Å; I97-M136 HydrophobicContact CB-CE 4.08Å; I97-M136 HydrophobicContact CD1-CE 3.71Å; I97-M136 HydrophobicContact CG1-CE 4.47Å; I97-M136 HydrophobicContact CG2-CE 4.02Å; T132-M136 HydrophobicContact CG2-CG 4.43Å; T132-M136 HydrophobicContact CG2-SD 3.84Å; T132-M136 WeakPolarHBondContact O-CB 3.46Å; T132-M136 VanDerWaalsContact O-CG 3.25Å; T132-M136 WeakPolarHBondContact O-CG 3.41Å; T132-M136 PolarHBondContact O-N 2.98Å; I133-M136 PolarHBondContact O-N 3.46Å; K134-M136 VanDerWaalsContact C-N 3.27Å; K134-M136 PolarHBondContact O-N 3.49Å; M136-E138 VanDerWaalsContact C-N 3.34Å; M136-E139 PolarHBondContact O-N 3.47Å; M136-G140 PolarHBondContact O-N 3.42Å; M136-I141 HydrophobicContact CB-CB 4.3Å; M136-I141 HydrophobicContact CB-CD1 4.02Å; M136-I141 HydrophobicContact CE-CD1 3.57Å; M136-I141 HydrophobicContact CE-CG2 4.47Å; M136-I141 HydrophobicContact CG-CD1 4.22Å; M136-I141 WeakPolarHBondContact O-CB 3.13Å; M136-I141 WeakPolarHBondContact O-CG1 3.46Å; M136-I141 PolarHBondContact O-N 3.27Å; M136-F143 HydrophobicContact CB-CE2 3.7Å; M136-F143 HydrophobicContact CB-CZ 3.83Å; M136-F143 HydrophobicContact CE-CZ 4.28Å; M136-F143 HydrophobicContact SD-CZ 4.15Å
137K92.4Very high87.3Confident113 Ų11359.9 Ų59.949%0.49137%0.371SS..Hα-helixtrans-62.5-40.6171.5-74.3174.1176.9178.50111.3I133 K134 E139 G140 F143I133-K137 HydrophobicContact CG2-CD 4.06Å; I133-K137 HydrophobicContact CG2-CG 4.43Å; I133-K137 WeakPolarHBondContact O-CG 3.3Å; I133-K137 PolarHBondContact O-N 2.62Å; K134-K137 WeakPolarHBondContact O-CB 3.49Å; K134-K137 PolarHBondContact O-N 3.31Å; K134-K137 VanDerWaalsContact O-N 3.11Å; K137-E139 VanDerWaalsContact C-N 3.31Å; K137-E139 PolarHBondContact O-N 2.97Å; K137-G140 PolarHBondContact O-N 2.9Å; K137-F143 HydrophobicContact CD-CD2 4.32Å; K137-F143 HydrophobicContact CG-CD2 3.62Å; K137-F143 HydrophobicContact CG-CE2 4.02Å
138E92.9Very high85.1Confident148 Ų14860.7 Ų60.769%0.69238%0.377SS*.Hα-helixtrans-64-33.1174-69.6164.3-173.900112.7K134 S135 M136 G140K134-E138 WeakPolarHBondContact CG-OE1 3.4Å; K134-E138 WeakPolarHBondContact O-CG 3.46Å; K134-E138 PolarHBondContact O-N 3.49Å; S135-E138 PolarHBondContact O-N 3.45Å; M136-E138 VanDerWaalsContact C-N 3.34Å; E138-G140 PolarHBondContact O-N 3.03Å
139E90.6Very high82.6Confident92 Ų9266.5 Ų66.543%0.4340%0.402SS..THydrogen-bonded Turntrans-742.9170.6-69.2175.9-171.400113.9R94 K98 S135 M136 K137R94-E139 IonicContact NH1-OE1 2.59Å; R94-E139 PolarHBondContact NH1-OE1 3.38Å; R94-E139 IonicContact NH1-OE2 2.97Å; K98-E139 WeakPolarHBondContact CE-OE2 3.19Å; K98-E139 IonicContact NZ-OE1 2.83Å; K98-E139 PolarHBondContact NZ-OE1 2.94Å; K98-E139 IonicContact NZ-OE2 2.62Å; K98-E139 PolarHBondContact NZ-OE2 3.07Å; S135-E139 WeakPolarHBondContact O-CG 3.39Å; S135-E139 PolarHBondContact O-N 2.95Å; S135-E139 VanDerWaalsContact O-N 3.13Å; M136-E139 PolarHBondContact O-N 3.47Å; K137-E139 VanDerWaalsContact C-N 3.31Å; K137-E139 PolarHBondContact O-N 2.97Å
140G86.9Confident79.9Confident63 Ų6372.8 Ų72.865%0.64944%0.441SS*.THydrogen-bonded Turntrans87.713.9178.800000115.2M136 K137 E138M136-G140 PolarHBondContact O-N 3.42Å; K137-G140 PolarHBondContact O-N 2.9Å; E138-G140 PolarHBondContact O-N 3.03Å
141I89.6Confident77.2Confident26 Ų2676.8 Ų76.813%0.13346%0.462CS..  trans-88.5110.9180-55.6172.8000109.7I97 M136 F143I97-I141 HydrophobicContact CG2-CD1 4.2Å; I97-I141 HydrophobicContact CG2-CG2 3.97Å; M136-I141 HydrophobicContact CB-CB 4.3Å; M136-I141 HydrophobicContact CB-CD1 4.02Å; M136-I141 HydrophobicContact CE-CD1 3.57Å; M136-I141 HydrophobicContact CE-CG2 4.47Å; M136-I141 HydrophobicContact CG-CD1 4.22Å; M136-I141 WeakPolarHBondContact O-CB 3.13Å; M136-I141 WeakPolarHBondContact O-CG1 3.46Å; M136-I141 PolarHBondContact O-N 3.27Å; I141-F143 HydrophobicContact CB-CE2 4.31Å; I141-F143 HydrophobicContact CG2-CE2 4Å; I141-F143 HydrophobicContact CG2-CZ 4.46Å; I141-F143 VanDerWaalsContact O-CD2 3.24Å; I141-F143 WeakPolarHBondContact O-CD2 3.35Å
142T90.6Very high74.6Confident115 Ų11580.1 Ų80.171%0.70648%0.482SS*.  trans-69.1138.8173.5-430000111.4K110K110-T142 WeakPolarHBondContact CD-O 3.09Å; K110-T142 WeakPolarHBondContact CE-O 3.03Å; K110-T142 PolarHBondContact NZ-O 2.94Å
143F90.4Very high71.9Confident18 Ų1885 Ų858%0.07952%0.523CS..  trans-119152.5171.3-72.3-101.6000109.2K110 M113 V114 I133 M136 K137 I141K110-F143 HydrophobicContact CB-CD1 3.8Å; K110-F143 HydrophobicContact CB-CE1 4.19Å; K110-F143 HydrophobicContact CG-CD1 3.84Å; K110-F143 HydrophobicContact CG-CE1 3.86Å; M113-F143 HydrophobicContact CB-CE1 4.36Å; M113-F143 HydrophobicContact SD-CE1 3.89Å; M113-F143 HydrophobicContact SD-CZ 4.38Å; V114-F143 HydrophobicContact CG2-CB 3.93Å; V114-F143 HydrophobicContact CG2-CD1 3.92Å; V114-F143 HydrophobicContact CG2-CG 4.32Å; I133-F143 HydrophobicContact CB-CE1 4.48Å; I133-F143 HydrophobicContact CB-CZ 4.35Å; I133-F143 HydrophobicContact CG1-CE1 3.99Å; I133-F143 HydrophobicContact CG1-CZ 4.24Å; I133-F143 HydrophobicContact CG2-CD1 4.14Å; I133-F143 HydrophobicContact CG2-CD2 4.05Å; I133-F143 HydrophobicContact CG2-CE1 4.14Å; I133-F143 HydrophobicContact CG2-CE2 4.06Å; I133-F143 HydrophobicContact CG2-CG 4.09Å; I133-F143 HydrophobicContact CG2-CZ 4.11Å; M136-F143 HydrophobicContact CB-CE2 3.7Å; M136-F143 HydrophobicContact CB-CZ 3.83Å; M136-F143 HydrophobicContact CE-CZ 4.28Å; M136-F143 HydrophobicContact SD-CZ 4.15Å; K137-F143 HydrophobicContact CD-CD2 4.32Å; K137-F143 HydrophobicContact CG-CD2 3.62Å; K137-F143 HydrophobicContact CG-CE2 4.02Å; I141-F143 HydrophobicContact CB-CE2 4.31Å; I141-F143 HydrophobicContact CG2-CE2 4Å; I141-F143 HydrophobicContact CG2-CZ 4.46Å; I141-F143 VanDerWaalsContact O-CD2 3.24Å; I141-F143 WeakPolarHBondContact O-CD2 3.35Å
144P88.4Confident69.3Low41 Ų4189.5 Ų89.527%0.26656%0.561SS.*PPolyproline II helixtrans-64.7159173.729.5-35.2000111.5V114V114-P144 HydrophobicContact CG2-CG 4.48Å
145P80.3Confident66.8Low99 Ų9987.1 Ų87.164%0.64357%0.567SS**PPolyproline II helixtrans-66.3145.9164.431.4-34.1000109.6
146A62.5Low64.2Low38 Ų3894.4 Ų94.431%0.31459%0.594SS.*THydrogen-bonded Turntrans-66.6151.6169.300000110.7V114 E118 S148V114-A146 HydrophobicContact CG1-CB 3.65Å; E118-A146 HydrophobicContact CG-CB 4.43Å; E118-A146 WeakPolarHBondContact OE1-CB 3.35Å; E118-A146 WeakPolarHBondContact OE2-CB 3.49Å; A146-S148 VanDerWaalsContact C-N 3.35Å; A146-S148 PolarHBondContact O-N 2.76Å
147G53Low61.2Low81 Ų81101.9 Ų101.984%0.83563%0.634SS**THydrogen-bonded Turntrans85.2-8.9-177.600000115.9Q149G147-Q149 PolarHBondContact O-N 3.2Å; G147-Q149 VanDerWaalsContact O-N 3.08Å
148S41.9Very low58.2Low85 Ų8599.9 Ų99.959%0.59465%0.645SS**  trans-83.580173.3-170.20000111.4A146A146-S148 VanDerWaalsContact C-N 3.35Å; A146-S148 PolarHBondContact O-N 2.76Å
149Q40.1Very low55.2Low181 Ų18199.2 Ų99.285%0.84665%0.652SS**  trans-59.8147.3160.5-73.3-155.60.800110.4G147 V151G147-Q149 PolarHBondContact O-N 3.2Å; G147-Q149 VanDerWaalsContact O-N 3.08Å; Q149-V151 PolarHBondContact O-N 2.95Å
150T34.3Very low52.6Low133 Ų133100.5 Ų100.582%0.81667%0.671SS**  trans-80.4102.7-168.550.30000112.7
151V34Very low50.7Low141 Ų141102.7 Ų102.786%0.85568%0.676SS**  trans-114.9154.1152-79.90000110.7Q149Q149-V151 PolarHBondContact O-N 2.95Å
152S36.3Very low48.2Very low125 Ų125105.5 Ų105.587%0.87469%0.692SS**  trans-69.4149.9-150.9-68.70000116.1
153A36.3Very low46.2Very low107 Ų107108.3 Ų108.388%0.88469%0.694SS**  trans-71.6139.8-174.200000115.1
154A37.3Very low44.1Very low100 Ų100114.4 Ų114.483%0.82673%0.727SS**  trans-130103.9160.800000111.7
155A40.8Very low42.5Very low88 Ų88117 Ų11773%0.72773%0.734SS**  trans29.4112.7153.400000122.6
156K37.5Very low41.3Very low188 Ų188118 Ų11882%0.81773%0.731SS**  90122.7125.1-69.2175.1-180174.70121.9
157N29.5Very low41.5Very low158 Ų158121.3 Ų121.385%0.84574%0.743SS**  trans73.7110.9141.8-69.42.1000120.6
158G28.9Very low42.4Very low70 Ų70123.7 Ų123.772%0.72273%0.733SS**  107.2102.3105.100000117.8
159T30.2Very low43.7Very low134 Ų134123.5 Ų123.582%0.82273%0.725SS**  trans64106.8149.3-50.40000117.8S161T159-S161 PolarHBondContact O-N 3.31Å; T159-S161 VanDerWaalsContact O-N 3.09Å
160S35.3Very low45.3Very low120 Ų120119.5 Ų119.584%0.83971%0.708SS**SBendtrans-55.9108.1166.1-42.60000112.2
161S46.4Very low47.3Very low109 Ų109115.9 Ų115.976%0.76269%0.692SS**  trans-177.849.3155.5-78.80000112.6T159T159-S161 PolarHBondContact O-N 3.31Å; T159-S161 VanDerWaalsContact O-N 3.09Å
162N37.5Very low49.4Very low85 Ų85115.5 Ų115.546%0.45568%0.679SS.*  trans-130.23-173.1-96.9-11.1000118.2N164 K165 E166N162-N164 PolarHBondContact O-N 2.96Å; N162-K165 PolarHBondContact O-N 2.79Å; N162-K165 WeakPolarHBondContact OD1-CB 3.39Å; N162-E166 PolarHBondContact O-N 2.7Å
163K48.6Very low51.2Low173 Ų173112 Ų11275%0.75266%0.658SS**THydrogen-bonded Turntrans-63.7-17.1179.8-164.1157.7-172.2166.30114.5
164N47.9Very low53Low146 Ų146112 Ų11278%0.78164%0.642SS**THydrogen-bonded Turntrans-94.7-14173.3-62.6-0.3000113.4N162N162-N164 PolarHBondContact O-N 2.96Å
165K53.6Low54.7Low95 Ų95113.5 Ų113.541%0.41363%0.632SS.*Hα-helixtrans-95.6-34.7-173.6-176.9154.5177.940.20112.4N162 E168 D169N162-K165 PolarHBondContact O-N 2.79Å; N162-K165 WeakPolarHBondContact OD1-CB 3.39Å; K165-E168 PolarHBondContact O-N 3.29Å; K165-D169 IonicContact NZ-OD1 3.98Å; K165-D169 IonicContact NZ-OD2 2.64Å; K165-D169 PolarHBondContact NZ-OD2 2.97Å; K165-D169 PolarHBondContact O-N 3.13Å
166E55.5Low56.1Low120 Ų120115 Ų11556%0.56163%0.627SS**Hα-helixtrans-64.3-43.2174.9-68.7168.6161.900110.8N162 E168 D169 I170N162-E166 PolarHBondContact O-N 2.7Å; E166-E168 VanDerWaalsContact C-N 3.34Å; E166-E168 PolarHBondContact O-N 2.95Å; E166-D169 PolarHBondContact O-N 3.34Å; E166-I170 WeakPolarHBondContact O-CB 3.47Å; E166-I170 WeakPolarHBondContact O-CD1 3.36Å; E166-I170 WeakPolarHBondContact O-CG1 3.22Å; E166-I170 PolarHBondContact O-N 3.04Å
167D66.6Low57.5Low109 Ų109109.7 Ų109.758%0.58361%0.613SS**Hα-helixtrans-61.8-37.3172.8-75.9-40000112.9A171D167-A171 WeakPolarHBondContact O-CB 3.37Å; D167-A171 PolarHBondContact O-N 3.13Å
168E71.3Confident59.4Low131 Ų131107.8 Ų107.861%0.61260%0.603SS**Hα-helixtrans-70.4-42178.3-162.9-173.9174.900112K165 E166 K172K165-E168 PolarHBondContact O-N 3.29Å; E166-E168 VanDerWaalsContact C-N 3.34Å; E166-E168 PolarHBondContact O-N 2.95Å; E168-K172 VanDerWaalsContact O-CB 3.29Å; E168-K172 WeakPolarHBondContact O-CB 3.48Å; E168-K172 PolarHBondContact O-N 3.01Å
169D70.7Confident61Low80 Ų80110.2 Ų110.243%0.42860%0.595SS.*Hα-helixtrans-71.3-31.7175.9-77.4-51.7000112K165 E166 A173K165-D169 IonicContact NZ-OD1 3.98Å; K165-D169 IonicContact NZ-OD2 2.64Å; K165-D169 PolarHBondContact NZ-OD2 2.97Å; K165-D169 PolarHBondContact O-N 3.13Å; E166-D169 PolarHBondContact O-N 3.34Å; D169-A173 WeakPolarHBondContact O-CB 3.44Å; D169-A173 PolarHBondContact O-N 3.03Å
170I72.9Confident62.4Low97 Ų97109.7 Ų109.750%0.49758%0.584SS.*Hα-helixtrans-66.2-50171.5-71163.5000111E166 K172 A173 I174E166-I170 WeakPolarHBondContact O-CB 3.47Å; E166-I170 WeakPolarHBondContact O-CD1 3.36Å; E166-I170 WeakPolarHBondContact O-CG1 3.22Å; E166-I170 PolarHBondContact O-N 3.04Å; I170-K172 PolarHBondContact O-N 3.33Å; I170-A173 PolarHBondContact O-N 2.95Å; I170-A173 VanDerWaalsContact O-N 3.17Å; I170-I174 HydrophobicContact CG2-CD1 3.95Å; I170-I174 WeakPolarHBondContact O-CG1 3.18Å; I170-I174 PolarHBondContact O-N 3.32Å
171A76Confident63.2Low58 Ų58111.4 Ų111.448%0.47958%0.578SS.*Hα-helixtrans-57.3-41.8177.900000111.4D167 I174 E175D167-A171 WeakPolarHBondContact O-CB 3.37Å; D167-A171 PolarHBondContact O-N 3.13Å; A171-I174 PolarHBondContact O-N 2.93Å; A171-E175 PolarHBondContact O-N 3.2Å
172K79.1Confident63.3Low132 Ų132114.6 Ų114.657%0.57458%0.578SS**Hα-helixtrans-69.1-34.7178.6-161.2174.4-170.61760113.3E168 I170 E175 L176E168-K172 VanDerWaalsContact O-CB 3.29Å; E168-K172 WeakPolarHBondContact O-CB 3.48Å; E168-K172 PolarHBondContact O-N 3.01Å; I170-K172 PolarHBondContact O-N 3.33Å; K172-E175 PolarHBondContact O-N 3.04Å; K172-L176 WeakPolarHBondContact O-CB 3.34Å; K172-L176 PolarHBondContact O-N 3.24Å
173A72.6Confident63.7Low53 Ų53118.1 Ų118.144%0.43859%0.592SS.*Hα-helixtrans-69-36.7174.700000112.4D169 I170 S177D169-A173 WeakPolarHBondContact O-CB 3.44Å; D169-A173 PolarHBondContact O-N 3.03Å; I170-A173 PolarHBondContact O-N 2.95Å; I170-A173 VanDerWaalsContact O-N 3.17Å; A173-S177 WeakPolarHBondContact O-CB 3.43Å; A173-S177 PolarHBondContact O-N 3.24Å; A173-S177 PolarHBondContact O-OG 2.98Å
174I74.3Confident63.5Low106 Ų106117.3 Ų117.354%0.54459%0.591SS.*Hα-helixtrans-65.3-46.8172.7-65.6166.4000109.9I170 A171 L176 S177 L178I170-I174 HydrophobicContact CG2-CD1 3.95Å; I170-I174 WeakPolarHBondContact O-CG1 3.18Å; I170-I174 PolarHBondContact O-N 3.32Å; A171-I174 PolarHBondContact O-N 2.93Å; I174-L176 PolarHBondContact O-N 2.99Å; I174-S177 PolarHBondContact O-N 2.87Å; I174-L178 WeakPolarHBondContact O-CB 3.49Å; I174-L178 PolarHBondContact O-N 3.13Å
175E73.4Confident63.1Low131 Ų131118.6 Ų118.661%0.61259%0.592SS**Hα-helixtrans-62.9-41.3178.7-169.1167.4-152.500112.2A171 K172 L178 Q179A171-E175 PolarHBondContact O-N 3.2Å; K172-E175 PolarHBondContact O-N 3.04Å; E175-L178 PolarHBondContact O-N 2.94Å; E175-Q179 WeakPolarHBondContact O-CB 3.43Å; E175-Q179 PolarHBondContact O-N 3.39Å
176L70.1Confident62.2Low119 Ų119120.3 Ų120.362%0.62361%0.611SS**Hα-helixtrans-63.2-42.4175.2-143.478.8000112.1K172 I174 Q179 E180K172-L176 WeakPolarHBondContact O-CB 3.34Å; K172-L176 PolarHBondContact O-N 3.24Å; I174-L176 PolarHBondContact O-N 2.99Å; L176-Q179 PolarHBondContact O-N 2.74Å; L176-E180 PolarHBondContact O-N 2.73Å
177S66.4Low61.1Low77 Ų77123.1 Ų123.154%0.53862%0.624SS.*Hα-helixtrans-64.4-41.1177.4-57.50000111.9A173 I174 Q179 E180 Q181A173-S177 WeakPolarHBondContact O-CB 3.43Å; A173-S177 PolarHBondContact O-N 3.24Å; A173-S177 PolarHBondContact O-OG 2.98Å; I174-S177 PolarHBondContact O-N 2.87Å; S177-Q179 VanDerWaalsContact C-N 3.27Å; S177-Q179 PolarHBondContact O-N 3.43Å; S177-E180 PolarHBondContact O-N 2.88Å; S177-Q181 PolarHBondContact O-N 2.9Å; S177-Q181 VanDerWaalsContact O-N 3.08Å
178L70.1Confident59.5Low119 Ų119124.9 Ų124.962%0.62364%0.639SS**Hα-helixtrans-68-29.1177.2-14775.2000112I174 E175I174-L178 WeakPolarHBondContact O-CB 3.49Å; I174-L178 PolarHBondContact O-N 3.13Å; E175-L178 PolarHBondContact O-N 2.94Å
179Q61.8Low57.7Low120 Ų120128.1 Ų128.156%0.56165%0.651SS**Hα-helixtrans-78.9-34.9177-159.2138.440.400112.4E175 L176 S177 K182E175-Q179 WeakPolarHBondContact O-CB 3.43Å; E175-Q179 PolarHBondContact O-N 3.39Å; L176-Q179 PolarHBondContact O-N 2.74Å; S177-Q179 VanDerWaalsContact C-N 3.27Å; S177-Q179 PolarHBondContact O-N 3.43Å; Q179-K182 PolarHBondContact O-N 3.32Å
180E60.5Low55.9Low124 Ų124128.8 Ų128.858%0.57966%0.661SS**Hα-helixtrans-66.9-40.8173-165170.5122.700111.7L176 S177 K182 Q183L176-E180 PolarHBondContact O-N 2.73Å; S177-E180 PolarHBondContact O-N 2.88Å; E180-K182 PolarHBondContact O-N 3.38Å; E180-Q183 PolarHBondContact O-N 3.01Å; E180-Q183 VanDerWaalsContact O-N 3.15Å
181Q52.5Low53.8Low156 Ų156132.3 Ų132.373%0.72968%0.68SS**Hα-helixtrans-59.6-26.4173.1-112.9-177.1-3.400113.5S177S177-Q181 PolarHBondContact O-N 2.9Å; S177-Q181 VanDerWaalsContact O-N 3.08Å
182K48.3Very low51.5Low176 Ų176139.9 Ų139.977%0.76570%0.698SS**THydrogen-bonded Turntrans-84.3-13.9-179.9-162.1170.1-178.1176.30113.9Q179 E180Q179-K182 PolarHBondContact O-N 3.32Å; E180-K182 PolarHBondContact O-N 3.38Å
183Q45.3Very low50Low159 Ų159138.9 Ų138.974%0.74371%0.705SS**THydrogen-bonded Turntrans-94.9-16.7-178.4-74.6-173.8-8.200114.6E180 H185E180-Q183 PolarHBondContact O-N 3.01Å; E180-Q183 VanDerWaalsContact O-N 3.15Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 3.24Å
184Q43.6Very low47.9Very low156 Ų156141.6 Ų141.673%0.72972%0.721SS**SBendtrans-84.65.5-180-64-170.813.700114.8
185H40.5Very low46Very low173 Ų173140.8 Ų140.880%0.80173%0.73SS**SBendtrans-120.856.4-172.6-144.2-92.9000113.6Q183Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 3.24Å
186T34.7Very low43.7Very low131 Ų131143.9 Ų143.980%0.80474%0.744SS**SBendtrans-145.7-23.9172-63.80000115.6
187E32.4Very low42.4Very low179 Ų179145.7 Ų145.784%0.83675%0.753SS**SBendtrans-134.2128.7178.1-64.6-173.4121.200109.1
188T33Very low40.6Very low146 Ų146151.1 Ų151.190%0.89677%0.77SS**  cis-143.7170.719.451.30000112.9
189K32.9Very low39.2Very low199 Ų199153 Ų15387%0.86578%0.78SS**  trans-110.4116.8-171.5177.2-176.2-179.1178.80112.4
190S34.2Very low37.7Very low93 Ų93154.5 Ų154.565%0.6579%0.792SS**  trans52.2131153.2-165.70000120.5
191L28.3Very low36.5Very low171 Ų171155.4 Ų155.490%0.89580%0.801SS**  -173.9131.4118.4-94.5160.1000111.1
192Y28.5Very low36.1Very low217 Ų217156.6 Ų156.685%0.85180%0.803SS**  trans-85.7178176.9-94.9-91.4000111.8
193P47.1Very low36.2Very low111 Ų111154.7 Ų154.772%0.72181%0.806SS**  cis-134.4175.3-9.331.2-10.6000116.4
194S27.3Very low37.2Very low111 Ų111149.8 Ų149.878%0.77679%0.792SS**  trans105.6116.7140-147.10000119.7
195A34.4Very low39Very low88 Ų88147.8 Ų147.873%0.72778%0.778SS**  trans35.2107.8145.400000120.1
196E26.6Very low41.3Very low196 Ų196145 Ų14592%0.91676%0.764SS**  -156.1143.9114.2-113.6169.3-167.300112.4Q198E196-Q198 PolarHBondContact O-N 3.13Å
197I41.6Very low43.9Very low158 Ų158138.8 Ų138.881%0.8173%0.726SS**  trans-59123.3-169.7-62.4159.6000112
198Q30Very low46.7Very low190 Ų190131.9 Ų131.989%0.88869%0.692SS**  trans-123.6102.1154.9-78.4-1674.200111.5E196 N200E196-Q198 PolarHBondContact O-N 3.13Å; Q198-N200 VanDerWaalsContact C-N 3.32Å; Q198-N200 PolarHBondContact O-N 3.01Å
199L39.5Very low49.4Very low158 Ų158125 Ų12583%0.82765%0.65SS**  trans-61.482.8171.2-173.489.6000110.4
200N30.8Very low51.9Low153 Ų153118.7 Ų118.782%0.81863%0.626SS**  trans-84.2122171.8-161.416.6000109.9Q198 K202Q198-N200 VanDerWaalsContact C-N 3.32Å; Q198-N200 PolarHBondContact O-N 3.01Å; N200-K202 PolarHBondContact O-N 3.02Å
201N36.1Very low54.4Low143 Ų143121 Ų12177%0.76562%0.621SS**  trans-82.655-159.9-155.17.2000113.1
202K42.3Very low57.3Low181 Ų181116.8 Ų116.879%0.78760%0.599SS**  trans-77.7123.8163-156.2-175.2-175-164.70106.3N200 A204N200-K202 PolarHBondContact O-N 3.02Å; K202-A204 PolarHBondContact O-N 2.92Å
203V51.8Low60.2Low136 Ų136107.9 Ų107.982%0.82457%0.565SS**  trans-57.6104.3-178.1178.70000108.9R205V203-R205 PolarHBondContact O-N 3.29Å; V203-R205 VanDerWaalsContact O-N 3.13Å
204A64.8Low62.3Low55 Ų55109.5 Ų109.546%0.45556%0.563SS.*  trans-69113.5-17100000109.4K202 K206 I230K202-A204 PolarHBondContact O-N 2.92Å; A204-K206 PolarHBondContact O-N 3.09Å; A204-K206 VanDerWaalsContact O-N 3.1Å; A204-I230 HydrophobicContact CB-CG2 3.62Å
205R81.6Confident65.2Low114 Ų114105.8 Ų105.843%0.4354%0.539SS..  trans-67.1111.8-173.6-174.7-172.2-67.2152.43.3108.6V203 V207 V231 D234V203-R205 PolarHBondContact O-N 3.29Å; V203-R205 VanDerWaalsContact O-N 3.13Å; R205-V207 HydrophobicContact CG-CG1 4.4Å; R205-V231 HydrophobicContact CB-CB 4.37Å; R205-V231 PolarHBondContact O-N 3.44Å; R205-D234 IonicContact CZ-OD2 3.47Å; R205-D234 IonicContact NH1-OD2 2.7Å; R205-D234 PolarHBondContact NH1-OD2 3.38Å; R205-D234 IonicContact NH2-OD2 2.62Å; R205-D234 PolarHBondContact NH2-OD2 3.46Å
206K89.2Confident67.4Low116 Ų116108 Ų10850%0.50454%0.543SS..EExtended strand (participates in β ladder)trans-85.9132.4173.7-67.1-176.9-179.3-177.20109.4A204 I228 I229 I230 L260A204-K206 PolarHBondContact O-N 3.09Å; A204-K206 VanDerWaalsContact O-N 3.1Å; K206-I228 HydrophobicContact CB-CG2 4.04Å; K206-I228 HydrophobicContact CD-CG2 4.22Å; K206-I228 HydrophobicContact CG-CG2 4.31Å; K206-I229 WeakPolarHBondContact CA-O 3.34Å; K206-I230 HydrophobicContact CG-CG1 4.43Å; K206-L260 HydrophobicContact CB-CD1 4.13Å; K206-L260 HydrophobicContact CB-CD2 4.43Å
207V90.1Very high70Confident0 Ų0103.9 Ų103.90%052%0.524CS..EExtended strand (participates in β ladder)trans-126161.7173.5-61.60000108.7R205 I228 I229 V231 F251 V256 T257 T258R205-V207 HydrophobicContact CG-CG1 4.4Å; V207-I228 WeakPolarHBondContact O-CA 3.25Å; V207-I229 HydrophobicContact CG2-CB 4.01Å; V207-I229 PolarHBondContact N-O 3.25Å; V207-I229 PolarHBondContact O-N 2.93Å; V207-V231 HydrophobicContact CB-CG2 4.28Å; V207-V231 HydrophobicContact CG1-CG2 3.68Å; V207-V231 HydrophobicContact CG2-CG2 3.59Å; V207-F251 HydrophobicContact CG2-CZ 4.46Å; V207-V256 HydrophobicContact CB-CB 3.99Å; V207-V256 HydrophobicContact CB-CG2 4.06Å; V207-V256 HydrophobicContact CG1-CG2 4.47Å; V207-V256 HydrophobicContact CG2-CB 3.79Å; V207-V256 HydrophobicContact CG2-CG1 3.99Å; V207-V256 HydrophobicContact CG2-CG2 3.84Å; V207-T257 CarbonylContact C-O 3.44Å; V207-T257 VanDerWaalsContact CA-O 3.26Å; V207-T257 WeakPolarHBondContact CA-O 3.34Å; V207-T257 WeakPolarHBondContact CB-O 3.4Å; V207-T258 HydrophobicContact CG1-CG2 4.15Å
208R90.4Very high71.8Confident34 Ų34104.9 Ų104.913%0.12853%0.531CS..EExtended strand (participates in β ladder)trans-121.2133.2-179.3-178.9162.760130.2-0.5110.7L210 G226 E227 I228 V256 T257 N259 L260 V262R208-L210 PolarHBondContact O-N 3.27Å; R208-G226 WeakPolarHBondContact CD-O 3.49Å; R208-G226 WeakPolarHBondContact CG-O 3.3Å; R208-E227 CarbonylContact C-O 3.58Å; R208-E227 WeakPolarHBondContact CA-O 3.46Å; R208-I228 HydrophobicContact CB-CD1 3.68Å; R208-I228 HydrophobicContact CG-CD1 3.73Å; R208-V256 CarbonylContact O-C 3.52Å; R208-V256 WeakPolarHBondContact O-CA 3.26Å; R208-T257 HydrophobicContact CB-CG2 4.28Å; R208-T257 PolarHBondContact N-O 3.08Å; R208-T257 PolarHBondContact O-N 3.01Å; R208-N259 PolarHBondContact NE-O 2.96Å; R208-N259 PolarHBondContact NH2-O 3.33Å; R208-L260 HydrophobicContact CB-CD2 4.11Å; R208-V262 PolarHBondContact NH1-O 3.37Å
209A90.6Very high74.5Confident2 Ų299.7 Ų99.72%0.01751%0.509CS..EExtended strand (participates in β ladder)trans-58.5124.2174.700000111.8F223 K224 G226 E227 F255A209-F223 HydrophobicContact CB-CD2 3.33Å; A209-F223 HydrophobicContact CB-CE2 3.55Å; A209-F223 HydrophobicContact CB-CG 4.33Å; A209-K224 WeakPolarHBondContact CB-O 3.39Å; A209-G226 PolarHBondContact O-N 2.9Å; A209-E227 HydrophobicContact CB-CB 4.46Å; A209-E227 PolarHBondContact N-O 2.93Å; A209-F255 WeakPolarHBondContact CA-O 3.28Å
210L85.5Confident76.9Confident66 Ų6693.7 Ų93.735%0.34648%0.477SS..SBendtrans-84.1-23.8171.7-70.4176.7000112.2R208 H225 F255 T257R208-L210 PolarHBondContact O-N 3.27Å; L210-H225 PolarHBondContact O-ND1 3.43Å; L210-F255 PolarHBondContact N-O 3.46Å; L210-T257 HydrophobicContact CD2-CG2 3.59Å; L210-T257 HydrophobicContact CG-CG2 4.07Å
211Y85.7Confident79.8Confident141 Ų14186.6 Ų86.655%0.55344%0.439SS*.SBendtrans-140.9165.3-179-54.7-71000110.5F223 F255Y211-F223 WeakPolarHBondContact O-CE2 3.49Å; Y211-F255 HydrophobicContact CD2-CD1 4.33Å; Y211-F255 HydrophobicContact CD2-CG 4.48Å
212D88.9Confident82.3Confident83 Ų8381.8 Ų81.844%0.44441%0.414SS..  trans-67.6137163.9-78.78.3000109.6K224 H225D212-K224 HydrophobicContact CB-CD 4.16Å; D212-K224 WeakPolarHBondContact OD1-CA 3.31Å; D212-K224 VanDerWaalsContact OD1-CD 3.24Å; D212-K224 WeakPolarHBondContact OD1-CD 3.46Å; D212-K224 WeakPolarHBondContact OD2-CD 3.15Å; D212-K224 WeakPolarHBondContact OD2-CE 3.15Å; D212-K224 IonicContact OD2-NZ 2.68Å; D212-K224 PolarHBondContact OD2-NZ 3.02Å; D212-H225 PolarHBondContact OD1-N 3.34Å
213F90.6Very high84.7Confident30 Ų3073.2 Ų73.213%0.13238%0.377CS..BIsolated β-bridgetrans-133.4126.7170.6-175.5-108000109.2E220 L221 T222 F223 W239 F251 P252 F255F213-E220 HydrophobicContact CE1-CB 4.24Å; F213-L221 WeakPolarHBondContact CD1-O 3.45Å; F213-T222 WeakPolarHBondContact O-CA 3.49Å; F213-F223 HydrophobicContact CB-CD1 4.36Å; F213-F223 HydrophobicContact CB-CD2 4.09Å; F213-F223 HydrophobicContact CB-CE1 3.91Å; F213-F223 HydrophobicContact CB-CE2 3.61Å; F213-F223 HydrophobicContact CB-CG 4.46Å; F213-F223 HydrophobicContact CB-CZ 3.52Å; F213-F223 AromaticContact CD1-CE1 3.97Å; F213-F223 HydrophobicContact CD1-CE1 3.97Å; F213-F223 HydrophobicContact CD1-CZ 4.29Å; F213-F223 HydrophobicContact CG-CE1 4.31Å; F213-F223 HydrophobicContact CG-CZ 4.17Å; F213-F223 PolarHBondContact N-O 3.19Å; F213-F223 PolarHBondContact O-N 3.31Å; F213-W239 HydrophobicContact CZ-CH2 4.33Å; F213-W239 HydrophobicContact CZ-CZ3 4.36Å; F213-F251 HydrophobicContact CD1-CB 4.29Å; F213-F251 HydrophobicContact CE1-CB 4.29Å; F213-P252 HydrophobicContact CD2-CG 4.4Å; F213-P252 HydrophobicContact CE2-CG 3.89Å; F213-P252 HydrophobicContact CZ-CG 4.15Å; F213-F255 HydrophobicContact CB-CD1 4Å; F213-F255 HydrophobicContact CB-CE1 4.47Å; F213-F255 HydrophobicContact CD2-CD1 4.08Å; F213-F255 HydrophobicContact CD2-CE1 4.02Å; F213-F255 HydrophobicContact CG-CD1 4.39Å
214E90.5Very high86.5Confident145 Ų14571.4 Ų71.468%0.67836%0.358SS*.  trans-114.5120.6179.4-174.3164.3-163.800108.5V216E214-V216 PolarHBondContact O-N 3.04Å
215A87.8Confident87.7Confident32 Ų3273.5 Ų73.526%0.26436%0.358SS..  trans-59.5125.7178.200000110.7E220 T222A215-E220 HydrophobicContact CB-CB 3.62Å; A215-E220 WeakPolarHBondContact CB-O 3.21Å; A215-T222 WeakPolarHBondContact CB-OG1 3.39Å; A215-T222 PolarHBondContact N-OG1 3.42Å
216V80.4Confident87.7Confident134 Ų13469.3 Ų69.381%0.81235%0.351SS*.SBendtrans-94.9-32.3172.3-176.10000110E214 E220E214-V216 PolarHBondContact O-N 3.04Å; V216-E220 PolarHBondContact N-OE2 2.84Å
217E82.8Confident87.8Confident111 Ų11165.6 Ų65.652%0.51934%0.335SS..SBendtrans-109.1150.7174.3-58.6-168.2149.400112.7N219 E220E217-N219 PolarHBondContact O-N 3.03Å; E217-N219 PolarHBondContact OE2-ND2 3.45Å; E217-N219 VanDerWaalsContact OE2-ND2 3.09Å; E217-E220 HydrophobicContact CB-CG 4.15Å; E217-E220 PolarHBondContact N-OE2 2.97Å; E217-E220 WeakPolarHBondContact O-CB 3.25Å; E217-E220 PolarHBondContact O-N 3.43Å
218D79.1Confident87.8Confident179 Ų17969.1 Ų69.196%0.95735%0.353SS*.THydrogen-bonded Turntrans-61.7-15.2-177.7-63.9-37.9000114.1
219N86.4Confident87.8Confident80 Ų8067.5 Ų67.543%0.42835%0.347SS..THydrogen-bonded Turntrans-89.3-3.417641.1-90.7000114.6E217 G249 L250E217-N219 PolarHBondContact O-N 3.03Å; E217-N219 PolarHBondContact OE2-ND2 3.45Å; E217-N219 VanDerWaalsContact OE2-ND2 3.09Å; N219-G249 CarbonylContact O-C 3.49Å; N219-G249 WeakPolarHBondContact O-CA 3.47Å; N219-L250 PolarHBondContact O-N 3.31Å
220E90.4Very high87.9Confident32 Ų3270 Ų7015%0.1536%0.36CS..BIsolated β-bridgetrans-98.3153.9-174.8-63.2175.9152.700112.8F213 A215 V216 E217 W239 L250F213-E220 HydrophobicContact CE1-CB 4.24Å; A215-E220 HydrophobicContact CB-CB 3.62Å; A215-E220 WeakPolarHBondContact CB-O 3.21Å; V216-E220 PolarHBondContact N-OE2 2.84Å; E217-E220 HydrophobicContact CB-CG 4.15Å; E217-E220 PolarHBondContact N-OE2 2.97Å; E217-E220 WeakPolarHBondContact O-CB 3.25Å; E217-E220 PolarHBondContact O-N 3.43Å; E220-W239 HydrophobicContact CG-CH2 4.4Å; E220-W239 HydrophobicContact CG-CZ3 4.1Å; E220-W239 WeakPolarHBondContact OE1-CH2 3.41Å; E220-L250 CarbonylContact C-O 3.46Å; E220-L250 VanDerWaalsContact CA-O 3.22Å; E220-L250 WeakPolarHBondContact CA-O 3.26Å
221L90.6Very high88.2Confident5 Ų567.4 Ų67.43%0.02635%0.347CS..  trans-101.3103.7-176.2-172.169.7000112.1F213 F223 I229 N244 G247 L250 F251F213-L221 WeakPolarHBondContact CD1-O 3.45Å; L221-F223 HydrophobicContact CD2-CD1 4.34Å; L221-F223 HydrophobicContact CG-CD1 4.31Å; L221-F223 WeakPolarHBondContact O-CD1 3.33Å; L221-F223 PolarHBondContact O-N 3.26Å; L221-I229 HydrophobicContact CD2-CG1 4.39Å; L221-I229 HydrophobicContact CD2-CG2 3.73Å; L221-N244 WeakPolarHBondContact CD1-OD1 3.28Å; L221-N244 HydrophobicContact CD2-CB 4.4Å; L221-G247 WeakPolarHBondContact CD1-O 3.43Å; L221-L250 PolarHBondContact N-O 3.06Å; L221-F251 HydrophobicContact CB-CB 4.48Å; L221-F251 HydrophobicContact CB-CD1 4.3Å; L221-F251 HydrophobicContact CD2-CD1 3.91Å; L221-F251 HydrophobicContact CD2-CE1 4.29Å
222T89.7Confident88.2Confident41 Ų4164.9 Ų64.925%0.25234%0.342SS..  trans-68.6128.2171.2-630000112.1F213 A215 N244 R246F213-T222 WeakPolarHBondContact O-CA 3.49Å; A215-T222 WeakPolarHBondContact CB-OG1 3.39Å; A215-T222 PolarHBondContact N-OG1 3.42Å; T222-N244 PolarHBondContact O-ND2 3.22Å; T222-R246 WeakPolarHBondContact O-CD 3.46Å
223F92.1Very high87.9Confident1 Ų164.3 Ų64.30%0.00434%0.34CS..BIsolated β-bridgetrans-147.6164.6173.455.2-101.8000112.5A209 Y211 F213 L221 E227 I229 F251 F255 V256A209-F223 HydrophobicContact CB-CD2 3.33Å; A209-F223 HydrophobicContact CB-CE2 3.55Å; A209-F223 HydrophobicContact CB-CG 4.33Å; Y211-F223 WeakPolarHBondContact O-CE2 3.49Å; F213-F223 HydrophobicContact CB-CD1 4.36Å; F213-F223 HydrophobicContact CB-CD2 4.09Å; F213-F223 HydrophobicContact CB-CE1 3.91Å; F213-F223 HydrophobicContact CB-CE2 3.61Å; F213-F223 HydrophobicContact CB-CG 4.46Å; F213-F223 HydrophobicContact CB-CZ 3.52Å; F213-F223 AromaticContact CD1-CE1 3.97Å; F213-F223 HydrophobicContact CD1-CE1 3.97Å; F213-F223 HydrophobicContact CD1-CZ 4.29Å; F213-F223 HydrophobicContact CG-CE1 4.31Å; F213-F223 HydrophobicContact CG-CZ 4.17Å; F213-F223 PolarHBondContact N-O 3.19Å; F213-F223 PolarHBondContact O-N 3.31Å; L221-F223 HydrophobicContact CD2-CD1 4.34Å; L221-F223 HydrophobicContact CG-CD1 4.31Å; L221-F223 WeakPolarHBondContact O-CD1 3.33Å; L221-F223 PolarHBondContact O-N 3.26Å; F223-E227 WeakPolarHBondContact CA-OE2 3.4Å; F223-E227 HydrophobicContact CB-CB 4.44Å; F223-I229 HydrophobicContact CB-CD1 4.25Å; F223-I229 HydrophobicContact CD1-CD1 3.4Å; F223-I229 HydrophobicContact CD1-CG1 4.32Å; F223-I229 HydrophobicContact CD2-CD1 4.04Å; F223-I229 HydrophobicContact CE1-CD1 3.56Å; F223-I229 HydrophobicContact CE2-CD1 4.17Å; F223-I229 HydrophobicContact CG-CD1 3.64Å; F223-I229 HydrophobicContact CG-CG1 4.44Å; F223-I229 HydrophobicContact CZ-CD1 3.95Å; F223-F251 HydrophobicContact CE1-CB 3.56Å; F223-F251 HydrophobicContact CE1-CD1 4.44Å; F223-F251 HydrophobicContact CE1-CD2 4.11Å; F223-F251 AromaticContact CE1-CG 3.79Å; F223-F251 HydrophobicContact CE1-CG 3.79Å; F223-F251 HydrophobicContact CZ-CB 4.22Å; F223-F251 HydrophobicContact CZ-CD2 4.31Å; F223-F251 HydrophobicContact CZ-CG 4.41Å; F223-F255 HydrophobicContact CE2-CB 4.34Å; F223-F255 HydrophobicContact CZ-CB 3.99Å; F223-V256 HydrophobicContact CZ-CG1 4.29Å
224K89.9Confident87.6Confident98 Ų9866 Ų6643%0.42635%0.35SS..  trans-108.1155.9176.3-67.6-61.8-174.6-172.20112.7A209 D212 G226 E227A209-K224 WeakPolarHBondContact CB-O 3.39Å; D212-K224 HydrophobicContact CB-CD 4.16Å; D212-K224 WeakPolarHBondContact OD1-CA 3.31Å; D212-K224 VanDerWaalsContact OD1-CD 3.24Å; D212-K224 WeakPolarHBondContact OD1-CD 3.46Å; D212-K224 WeakPolarHBondContact OD2-CD 3.15Å; D212-K224 WeakPolarHBondContact OD2-CE 3.15Å; D212-K224 IonicContact OD2-NZ 2.68Å; D212-K224 PolarHBondContact OD2-NZ 3.02Å; K224-G226 PolarHBondContact O-N 3.4Å; K224-E227 PolarHBondContact N-OE2 3.3Å; K224-E227 WeakPolarHBondContact O-CB 3.34Å; K224-E227 PolarHBondContact O-N 3.48Å
225H88.9Confident87.2Confident99 Ų9964.3 Ų64.346%0.45835%0.354SS..THydrogen-bonded Turntrans-48.7134.2174.1170.491.8000111.1L210 D212 E227L210-H225 PolarHBondContact O-ND1 3.43Å; D212-H225 PolarHBondContact OD1-N 3.34Å; H225-E227 VanDerWaalsContact C-N 3.26Å; H225-E227 PolarHBondContact O-N 3.42Å
226G83.1Confident86.9Confident27 Ų2766.8 Ų66.828%0.27836%0.363SS..THydrogen-bonded Turntrans81.3-8.9-177.800000115.3R208 A209 K224R208-G226 WeakPolarHBondContact CD-O 3.49Å; R208-G226 WeakPolarHBondContact CG-O 3.3Å; A209-G226 PolarHBondContact O-N 2.9Å; K224-G226 PolarHBondContact O-N 3.4Å
227E90Very high86.8Confident37 Ų3764.3 Ų64.317%0.17336%0.356CS..  trans-68.9141.8178.7-163.1-179.814400111.8R208 A209 F223 K224 H225 N244 H245R208-E227 CarbonylContact C-O 3.58Å; R208-E227 WeakPolarHBondContact CA-O 3.46Å; A209-E227 HydrophobicContact CB-CB 4.46Å; A209-E227 PolarHBondContact N-O 2.93Å; F223-E227 WeakPolarHBondContact CA-OE2 3.4Å; F223-E227 HydrophobicContact CB-CB 4.44Å; K224-E227 PolarHBondContact N-OE2 3.3Å; K224-E227 WeakPolarHBondContact O-CB 3.34Å; K224-E227 PolarHBondContact O-N 3.48Å; H225-E227 VanDerWaalsContact C-N 3.26Å; H225-E227 PolarHBondContact O-N 3.42Å; E227-N244 WeakPolarHBondContact OE1-CB 3.37Å; E227-N244 PolarHBondContact OE1-ND2 3.05Å; E227-H245 IonicContact OE1-CD2 3.11Å; E227-H245 PolarHBondContact OE1-CD2 3.48Å
228I90.5Very high86.9Confident74 Ų7463.9 Ų63.938%0.37936%0.358SS..EExtended strand (participates in β ladder)trans-92.8123.4179.9-53.8-51.6000110.1K206 V207 R208 L260K206-I228 HydrophobicContact CB-CG2 4.04Å; K206-I228 HydrophobicContact CD-CG2 4.22Å; K206-I228 HydrophobicContact CG-CG2 4.31Å; V207-I228 WeakPolarHBondContact O-CA 3.25Å; R208-I228 HydrophobicContact CB-CD1 3.68Å; R208-I228 HydrophobicContact CG-CD1 3.73Å; I228-L260 HydrophobicContact CD1-CD2 3.97Å
229I91.3Very high87.4Confident0 Ų060.2 Ų60.20%033%0.33CS..EExtended strand (participates in β ladder)trans-111.1138.5178.5-56.5156.6000108.2K206 V207 L221 F223 N244 F251 V256K206-I229 WeakPolarHBondContact CA-O 3.34Å; V207-I229 HydrophobicContact CG2-CB 4.01Å; V207-I229 PolarHBondContact N-O 3.25Å; V207-I229 PolarHBondContact O-N 2.93Å; L221-I229 HydrophobicContact CD2-CG1 4.39Å; L221-I229 HydrophobicContact CD2-CG2 3.73Å; F223-I229 HydrophobicContact CB-CD1 4.25Å; F223-I229 HydrophobicContact CD1-CD1 3.4Å; F223-I229 HydrophobicContact CD1-CG1 4.32Å; F223-I229 HydrophobicContact CD2-CD1 4.04Å; F223-I229 HydrophobicContact CE1-CD1 3.56Å; F223-I229 HydrophobicContact CE2-CD1 4.17Å; F223-I229 HydrophobicContact CG-CD1 3.64Å; F223-I229 HydrophobicContact CG-CG1 4.44Å; F223-I229 HydrophobicContact CZ-CD1 3.95Å; I229-N244 HydrophobicContact CG1-CB 4.47Å; I229-F251 HydrophobicContact CG2-CD1 4.48Å; I229-F251 HydrophobicContact CG2-CE1 3.7Å; I229-F251 HydrophobicContact CG2-CZ 4.02Å; I229-V256 HydrophobicContact CD1-CG1 3.77Å
230I91.2Very high87.7Confident54 Ų5458.8 Ų58.828%0.27732%0.319SS..EExtended strand (participates in β ladder)trans-94.5114.4174.5-56.3176.3000107.5A204 K206 L232 G242 E243A204-I230 HydrophobicContact CB-CG2 3.62Å; K206-I230 HydrophobicContact CG-CG1 4.43Å; I230-L232 PolarHBondContact O-N 3.17Å; I230-G242 CarbonylContact O-C 3.56Å; I230-G242 WeakPolarHBondContact O-CA 3.44Å; I230-E243 HydrophobicContact CB-CB 4.45Å; I230-E243 PolarHBondContact N-O 2.98Å; I230-E243 PolarHBondContact O-N 3.43Å
231V91.4Very high87.6Confident12 Ų1261.6 Ų61.67%0.07333%0.331CS..EExtended strand (participates in β ladder)trans-74.2124.1178.6-174.50000109.4R205 V207 D234 W240R205-V231 HydrophobicContact CB-CB 4.37Å; R205-V231 PolarHBondContact O-N 3.44Å; V207-V231 HydrophobicContact CB-CG2 4.28Å; V207-V231 HydrophobicContact CG1-CG2 3.68Å; V207-V231 HydrophobicContact CG2-CG2 3.59Å; V231-D234 HydrophobicContact CG1-CB 4.16Å; V231-W240 HydrophobicContact CG2-CE3 4.32Å
232L86.3Confident87.7Confident88 Ų8861.4 Ų61.446%0.46133%0.33SS..EExtended strand (participates in β ladder)trans-99.4-33.5176.9-62.7-178.6000111.9I230 K241 E243 I248I230-L232 PolarHBondContact O-N 3.17Å; L232-K241 PolarHBondContact N-O 2.95Å; L232-E243 HydrophobicContact CD1-CB 4.13Å; L232-E243 HydrophobicContact CG-CB 4.39Å; L232-I248 HydrophobicContact CD1-CD1 3.98Å; L232-I248 HydrophobicContact CD1-CG1 4.07Å; L232-I248 HydrophobicContact CD1-CG2 3.82Å
233D82.1Confident87.7Confident72 Ų7263.3 Ų63.339%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-148.5125.1178.8-162.1-11.9000110.9S235 K241D233-S235 WeakPolarHBondContact OD1-CB 3.31Å; D233-S235 PolarHBondContact OD1-N 3.38Å; D233-S235 PolarHBondContact OD1-OG 3.01Å; D233-K241 HydrophobicContact CB-CB 3.82Å; D233-K241 PolarHBondContact N-O 3.03Å; D233-K241 VanDerWaalsContact N-O 3.08Å; D233-K241 PolarHBondContact O-N 2.95Å
234D85.2Confident87.6Confident66 Ų6664 Ų6435%0.35334%0.34SS..  trans-117.118.6177.162.8-44000112.9R205 V231 D236 W240R205-D234 IonicContact CZ-OD2 3.47Å; R205-D234 IonicContact NH1-OD2 2.7Å; R205-D234 PolarHBondContact NH1-OD2 3.38Å; R205-D234 IonicContact NH2-OD2 2.62Å; R205-D234 PolarHBondContact NH2-OD2 3.46Å; V231-D234 HydrophobicContact CG1-CB 4.16Å; D234-D236 VanDerWaalsContact C-N 3.26Å; D234-D236 PolarHBondContact O-N 2.91Å; D234-W240 HydrophobicContact CB-CD2 4.23Å; D234-W240 HydrophobicContact CB-CG 4.36Å; D234-W240 HydrophobicContact CB-CZ2 4.47Å
235S81.9Confident87.2Confident108 Ų10867.4 Ų67.476%0.75536%0.357SS*.  trans-66.9-19.8-174.7-57.50000115.3D233D233-S235 WeakPolarHBondContact OD1-CB 3.31Å; D233-S235 PolarHBondContact OD1-N 3.38Å; D233-S235 PolarHBondContact OD1-OG 3.01Å
236D81.1Confident86.9Confident85 Ų8570.4 Ų70.446%0.45536%0.364SS..SBendtrans-105.3138.9175.8-174.1-67000109.9D234 N238 W239 W240D234-D236 VanDerWaalsContact C-N 3.26Å; D234-D236 PolarHBondContact O-N 2.91Å; D236-N238 VanDerWaalsContact C-N 3.33Å; D236-N238 PolarHBondContact O-N 3.07Å; D236-N238 PolarHBondContact OD1-N 3.05Å; D236-W239 PolarHBondContact OD1-N 3.49Å; D236-W240 PolarHBondContact O-NE1 3.35Å
237A78.6Confident86.9Confident81 Ų8170.6 Ų70.667%0.66937%0.366SS*.SBendtrans-70.2-28.5-175.800000113.4S253A237-S253 PolarHBondContact O-OG 3.46Å
238N84.1Confident86.9Confident103 Ų10373.4 Ų73.455%0.55138%0.381SS*.SBendtrans-104.2-32.9-172.3-69.996.3000112.8D236 P252 S253D236-N238 VanDerWaalsContact C-N 3.33Å; D236-N238 PolarHBondContact O-N 3.07Å; D236-N238 PolarHBondContact OD1-N 3.05Å; N238-P252 VanDerWaalsContact O-CA 3.3Å; N238-P252 WeakPolarHBondContact O-CA 2.92Å; N238-S253 PolarHBondContact O-N 3.48Å; N238-S253 PolarHBondContact O-OG 3.47Å
239W90.1Very high86.9Confident101 Ų10170 Ų7038%0.38337%0.365SS..EExtended strand (participates in β ladder)trans-127.1111.5-174.5-75.989.7000112.8F213 E220 D236 L250 F251 P252F213-W239 HydrophobicContact CZ-CH2 4.33Å; F213-W239 HydrophobicContact CZ-CZ3 4.36Å; E220-W239 HydrophobicContact CG-CH2 4.4Å; E220-W239 HydrophobicContact CG-CZ3 4.1Å; E220-W239 WeakPolarHBondContact OE1-CH2 3.41Å; D236-W239 PolarHBondContact OD1-N 3.49Å; W239-L250 HydrophobicContact CE3-CB 3.9Å; W239-L250 HydrophobicContact CZ3-CB 4.32Å; W239-F251 CarbonylContact C-O 3.49Å; W239-F251 WeakPolarHBondContact CA-O 3.22Å; W239-P252 HydrophobicContact CH2-CG 4.31Å; W239-P252 HydrophobicContact CZ3-CG 4.34Å
240W92.5Very high86.8Confident50 Ų5073 Ų7319%0.18938%0.38CS..EExtended strand (participates in β ladder)trans-98.8149.2178-68.7-4.9000111.5V231 D234 D236 L250 F251 V256V231-W240 HydrophobicContact CG2-CE3 4.32Å; D234-W240 HydrophobicContact CB-CD2 4.23Å; D234-W240 HydrophobicContact CB-CG 4.36Å; D234-W240 HydrophobicContact CB-CZ2 4.47Å; D236-W240 PolarHBondContact O-NE1 3.35Å; W240-L250 CarbonylContact O-C 3.41Å; W240-L250 WeakPolarHBondContact O-CA 3.39Å; W240-F251 HydrophobicContact CB-CE1 4.28Å; W240-F251 HydrophobicContact CB-CE2 4Å; W240-F251 HydrophobicContact CB-CZ 3.82Å; W240-F251 HydrophobicContact CE3-CE2 4.4Å; W240-F251 PolarHBondContact N-O 3.46Å; W240-F251 WeakPolarHBondContact O-CD1 3.33Å; W240-F251 PolarHBondContact O-N 3.41Å; W240-V256 HydrophobicContact CE3-CG2 4.06Å; W240-V256 HydrophobicContact CZ3-CG2 3.97Å
241K89.6Confident86.9Confident92 Ų9270.4 Ų70.440%0.437%0.367SS..EExtended strand (participates in β ladder)trans-99.4132.5172.3-164.7176.9179.9175.90109.5L232 D233 I248 G249 L250L232-K241 PolarHBondContact N-O 2.95Å; D233-K241 HydrophobicContact CB-CB 3.82Å; D233-K241 PolarHBondContact N-O 3.03Å; D233-K241 VanDerWaalsContact N-O 3.08Å; D233-K241 PolarHBondContact O-N 2.95Å; K241-I248 HydrophobicContact CD-CG2 4.46Å; K241-I248 HydrophobicContact CG-CG2 4.19Å; K241-G249 WeakPolarHBondContact CA-O 3.49Å; K241-L250 HydrophobicContact CB-CD2 3.86Å; K241-L250 HydrophobicContact CG-CD2 4.21Å
242G91.3Very high86.8Confident0 Ų070.9 Ų70.90%037%0.37CS..EExtended strand (participates in β ladder)trans-152.7177.8175.500000114I230 I248 G249I230-G242 CarbonylContact O-C 3.56Å; I230-G242 WeakPolarHBondContact O-CA 3.44Å; G242-I248 WeakPolarHBondContact O-CA 3.19Å; G242-G249 PolarHBondContact N-O 2.84Å; G242-G249 PolarHBondContact O-N 3.29Å; G242-G249 VanDerWaalsContact O-N 3.07Å
243E91.5Very high86.8Confident82 Ų8267.3 Ų67.338%0.38335%0.353SS..EExtended strand (participates in β ladder)trans-123.9133.3-176-172173.7-17900110.3I230 L232 G247 I248I230-E243 HydrophobicContact CB-CB 4.45Å; I230-E243 PolarHBondContact N-O 2.98Å; I230-E243 PolarHBondContact O-N 3.43Å; L232-E243 HydrophobicContact CD1-CB 4.13Å; L232-E243 HydrophobicContact CG-CB 4.39Å; E243-G247 WeakPolarHBondContact CA-O 3.47Å; E243-I248 HydrophobicContact CB-CG1 3.92Å; E243-I248 HydrophobicContact CG-CD1 4.49Å; E243-I248 HydrophobicContact CG-CG1 3.74Å
244N89.3Confident87.1Confident16 Ų1669.7 Ų69.79%0.08637%0.366CS..EExtended strand (participates in β ladder)trans-131.2-171.5168.575.8-6000110.2L221 T222 E227 I229 R246 G247L221-N244 WeakPolarHBondContact CD1-OD1 3.28Å; L221-N244 HydrophobicContact CD2-CB 4.4Å; T222-N244 PolarHBondContact O-ND2 3.22Å; E227-N244 WeakPolarHBondContact OE1-CB 3.37Å; E227-N244 PolarHBondContact OE1-ND2 3.05Å; I229-N244 HydrophobicContact CG1-CB 4.47Å; N244-R246 PolarHBondContact O-N 3.05Å; N244-R246 WeakPolarHBondContact OD1-CA 3.27Å; N244-R246 WeakPolarHBondContact OD1-CB 3Å; N244-R246 PolarHBondContact OD1-N 3.47Å; N244-G247 PolarHBondContact N-O 3.46Å; N244-G247 PolarHBondContact O-N 3.19Å; N244-G247 PolarHBondContact OD1-N 2.83Å; N244-G247 PolarHBondContact OD1-O 3.14Å
245H81.8Confident87.2Confident169 Ų16969.7 Ų69.778%0.78236%0.362SS*.THydrogen-bonded Turntrans-64.3-9.6179.575.4147.5000115.7E227E227-H245 IonicContact OE1-CD2 3.11Å; E227-H245 PolarHBondContact OE1-CD2 3.48Å
246R81.3Confident87.5Confident162 Ų16265.2 Ų65.261%0.61133%0.33SS*.THydrogen-bonded Turntrans-99.7-24.4179.3-69160.6-176-82-0.7112.9T222 N244T222-R246 WeakPolarHBondContact O-CD 3.46Å; N244-R246 PolarHBondContact O-N 3.05Å; N244-R246 WeakPolarHBondContact OD1-CA 3.27Å; N244-R246 WeakPolarHBondContact OD1-CB 3Å; N244-R246 PolarHBondContact OD1-N 3.47Å
247G83.8Confident87.6Confident31 Ų3162.5 Ų62.532%0.3232%0.317SS..EExtended strand (participates in β ladder)trans152.3-154.5178.200000113L221 E243 N244L221-G247 WeakPolarHBondContact CD1-O 3.43Å; E243-G247 WeakPolarHBondContact CA-O 3.47Å; N244-G247 PolarHBondContact N-O 3.46Å; N244-G247 PolarHBondContact O-N 3.19Å; N244-G247 PolarHBondContact OD1-N 2.83Å; N244-G247 PolarHBondContact OD1-O 3.14Å
248I89.6Confident87.8Confident95 Ų9562.8 Ų62.849%0.48731%0.311SS..EExtended strand (participates in β ladder)trans-118.1131.9179.3-62.5169.4000108.6L232 K241 G242 E243L232-I248 HydrophobicContact CD1-CD1 3.98Å; L232-I248 HydrophobicContact CD1-CG1 4.07Å; L232-I248 HydrophobicContact CD1-CG2 3.82Å; K241-I248 HydrophobicContact CD-CG2 4.46Å; K241-I248 HydrophobicContact CG-CG2 4.19Å; G242-I248 WeakPolarHBondContact O-CA 3.19Å; E243-I248 HydrophobicContact CB-CG1 3.92Å; E243-I248 HydrophobicContact CG-CD1 4.49Å; E243-I248 HydrophobicContact CG-CG1 3.74Å
249G90.9Very high87.4Confident4 Ų463.1 Ų63.14%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-162.8177179.800000112.6N219 K241 G242N219-G249 CarbonylContact O-C 3.49Å; N219-G249 WeakPolarHBondContact O-CA 3.47Å; K241-G249 WeakPolarHBondContact CA-O 3.49Å; G242-G249 PolarHBondContact N-O 2.84Å; G242-G249 PolarHBondContact O-N 3.29Å; G242-G249 VanDerWaalsContact O-N 3.07Å
250L90.3Very high86.5Confident62 Ų6262.5 Ų62.533%0.32532%0.316SS..EExtended strand (participates in β ladder)trans-90.1145.8175-66.8171.6000111N219 E220 L221 W239 W240 K241N219-L250 PolarHBondContact O-N 3.31Å; E220-L250 CarbonylContact C-O 3.46Å; E220-L250 VanDerWaalsContact CA-O 3.22Å; E220-L250 WeakPolarHBondContact CA-O 3.26Å; L221-L250 PolarHBondContact N-O 3.06Å; W239-L250 HydrophobicContact CE3-CB 3.9Å; W239-L250 HydrophobicContact CZ3-CB 4.32Å; W240-L250 CarbonylContact O-C 3.41Å; W240-L250 WeakPolarHBondContact O-CA 3.39Å; K241-L250 HydrophobicContact CB-CD2 3.86Å; K241-L250 HydrophobicContact CG-CD2 4.21Å
251F92.1Very high84.7Confident0 Ų067.4 Ų67.40%035%0.346CS..EExtended strand (participates in β ladder)trans-150.5157.4174.362.7-89.5000111.9V207 F213 L221 F223 I229 W239 W240 S253 V256V207-F251 HydrophobicContact CG2-CZ 4.46Å; F213-F251 HydrophobicContact CD1-CB 4.29Å; F213-F251 HydrophobicContact CE1-CB 4.29Å; L221-F251 HydrophobicContact CB-CB 4.48Å; L221-F251 HydrophobicContact CB-CD1 4.3Å; L221-F251 HydrophobicContact CD2-CD1 3.91Å; L221-F251 HydrophobicContact CD2-CE1 4.29Å; F223-F251 HydrophobicContact CE1-CB 3.56Å; F223-F251 HydrophobicContact CE1-CD1 4.44Å; F223-F251 HydrophobicContact CE1-CD2 4.11Å; F223-F251 AromaticContact CE1-CG 3.79Å; F223-F251 HydrophobicContact CE1-CG 3.79Å; F223-F251 HydrophobicContact CZ-CB 4.22Å; F223-F251 HydrophobicContact CZ-CD2 4.31Å; F223-F251 HydrophobicContact CZ-CG 4.41Å; I229-F251 HydrophobicContact CG2-CD1 4.48Å; I229-F251 HydrophobicContact CG2-CE1 3.7Å; I229-F251 HydrophobicContact CG2-CZ 4.02Å; W239-F251 CarbonylContact C-O 3.49Å; W239-F251 WeakPolarHBondContact CA-O 3.22Å; W240-F251 HydrophobicContact CB-CE1 4.28Å; W240-F251 HydrophobicContact CB-CE2 4Å; W240-F251 HydrophobicContact CB-CZ 3.82Å; W240-F251 HydrophobicContact CE3-CE2 4.4Å; W240-F251 PolarHBondContact N-O 3.46Å; W240-F251 WeakPolarHBondContact O-CD1 3.33Å; W240-F251 PolarHBondContact O-N 3.41Å; F251-S253 PolarHBondContact O-N 3.12Å; F251-V256 HydrophobicContact CD2-CG1 3.89Å; F251-V256 HydrophobicContact CE2-CB 4.26Å; F251-V256 HydrophobicContact CE2-CG1 3.48Å; F251-V256 VanDerWaalsContact CE2-CG1 3.48Å; F251-V256 HydrophobicContact CE2-CG2 3.71Å; F251-V256 HydrophobicContact CZ-CG1 4.3Å
252P89.4Confident82.6Confident22 Ų2267.6 Ų67.614%0.14336%0.355CS..EExtended strand (participates in β ladder)trans-68.8130.4179.4-18.131.6000111.9F213 N238 W239 N254 F255F213-P252 HydrophobicContact CD2-CG 4.4Å; F213-P252 HydrophobicContact CE2-CG 3.89Å; F213-P252 HydrophobicContact CZ-CG 4.15Å; N238-P252 VanDerWaalsContact O-CA 3.3Å; N238-P252 WeakPolarHBondContact O-CA 2.92Å; W239-P252 HydrophobicContact CH2-CG 4.31Å; W239-P252 HydrophobicContact CZ3-CG 4.34Å; P252-N254 PolarHBondContact O-N 3.17Å; P252-N254 VanDerWaalsContact O-N 3.16Å; P252-F255 HydrophobicContact CB-CD2 3.76Å; P252-F255 HydrophobicContact CB-CE2 4.31Å; P252-F255 HydrophobicContact CB-CG 4.44Å; P252-F255 HydrophobicContact CG-CD2 4.08Å; P252-F255 HydrophobicContact CG-CE2 4.38Å; P252-F255 PolarHBondContact O-N 3.2Å
253S87.4Confident80.2Confident13 Ų1376.8 Ų76.89%0.09140%0.398CS..G310 helixtrans-56-34.1179.755.40000113.1A237 N238 F251 F255 V256A237-S253 PolarHBondContact O-OG 3.46Å; N238-S253 PolarHBondContact O-N 3.48Å; N238-S253 PolarHBondContact O-OG 3.47Å; F251-S253 PolarHBondContact O-N 3.12Å; S253-F255 PolarHBondContact O-N 3.09Å; S253-V256 VanDerWaalsContact O-CG2 3.31Å; S253-V256 WeakPolarHBondContact O-CG2 3.36Å; S253-V256 PolarHBondContact O-N 3.38Å
254N88Confident77.6Confident122 Ų12278.2 Ų78.265%0.65241%0.412SS*.G310 helixtrans-67.2-12.4177.5-66-29.1000114.9P252 V256P252-N254 PolarHBondContact O-N 3.17Å; P252-N254 VanDerWaalsContact O-N 3.16Å; N254-V256 VanDerWaalsContact C-N 3.34Å
255F87.3Confident75Confident65 Ų6587 Ų8729%0.28545%0.452SS..G310 helixtrans-90.63-179.2-82.4-120.1000112.8A209 L210 Y211 F213 F223 P252 S253A209-F255 WeakPolarHBondContact CA-O 3.28Å; L210-F255 PolarHBondContact N-O 3.46Å; Y211-F255 HydrophobicContact CD2-CD1 4.33Å; Y211-F255 HydrophobicContact CD2-CG 4.48Å; F213-F255 HydrophobicContact CB-CD1 4Å; F213-F255 HydrophobicContact CB-CE1 4.47Å; F213-F255 HydrophobicContact CD2-CD1 4.08Å; F213-F255 HydrophobicContact CD2-CE1 4.02Å; F213-F255 HydrophobicContact CG-CD1 4.39Å; F223-F255 HydrophobicContact CE2-CB 4.34Å; F223-F255 HydrophobicContact CZ-CB 3.99Å; P252-F255 HydrophobicContact CB-CD2 3.76Å; P252-F255 HydrophobicContact CB-CE2 4.31Å; P252-F255 HydrophobicContact CB-CG 4.44Å; P252-F255 HydrophobicContact CG-CD2 4.08Å; P252-F255 HydrophobicContact CG-CE2 4.38Å; P252-F255 PolarHBondContact O-N 3.2Å; S253-F255 PolarHBondContact O-N 3.09Å
256V87.3Confident72.8Confident14 Ų1482.6 Ų82.69%0.08545%0.445CS..EExtended strand (participates in β ladder)trans-133.4159.1-178.3-58.80000112.9V207 R208 F223 I229 W240 F251 S253 N254V207-V256 HydrophobicContact CB-CB 3.99Å; V207-V256 HydrophobicContact CB-CG2 4.06Å; V207-V256 HydrophobicContact CG1-CG2 4.47Å; V207-V256 HydrophobicContact CG2-CB 3.79Å; V207-V256 HydrophobicContact CG2-CG1 3.99Å; V207-V256 HydrophobicContact CG2-CG2 3.84Å; R208-V256 CarbonylContact O-C 3.52Å; R208-V256 WeakPolarHBondContact O-CA 3.26Å; F223-V256 HydrophobicContact CZ-CG1 4.29Å; I229-V256 HydrophobicContact CD1-CG1 3.77Å; W240-V256 HydrophobicContact CE3-CG2 4.06Å; W240-V256 HydrophobicContact CZ3-CG2 3.97Å; F251-V256 HydrophobicContact CD2-CG1 3.89Å; F251-V256 HydrophobicContact CE2-CB 4.26Å; F251-V256 HydrophobicContact CE2-CG1 3.48Å; F251-V256 VanDerWaalsContact CE2-CG1 3.48Å; F251-V256 HydrophobicContact CE2-CG2 3.71Å; F251-V256 HydrophobicContact CZ-CG1 4.3Å; S253-V256 VanDerWaalsContact O-CG2 3.31Å; S253-V256 WeakPolarHBondContact O-CG2 3.36Å; S253-V256 PolarHBondContact O-N 3.38Å; N254-V256 VanDerWaalsContact C-N 3.34Å
257T83.6Confident70.8Confident28 Ų2879.6 Ų79.617%0.17246%0.456CS..EExtended strand (participates in β ladder)trans-129.5149.2172.5-1720000111.8V207 R208 L210 N259V207-T257 CarbonylContact C-O 3.44Å; V207-T257 VanDerWaalsContact CA-O 3.26Å; V207-T257 WeakPolarHBondContact CA-O 3.34Å; V207-T257 WeakPolarHBondContact CB-O 3.4Å; R208-T257 HydrophobicContact CB-CG2 4.28Å; R208-T257 PolarHBondContact N-O 3.08Å; R208-T257 PolarHBondContact O-N 3.01Å; L210-T257 HydrophobicContact CD2-CG2 3.59Å; L210-T257 HydrophobicContact CG-CG2 4.07Å; T257-N259 HydrophobicContact CG2-CB 4.21Å; T257-N259 PolarHBondContact O-N 3.29Å; T257-N259 PolarHBondContact OG1-N 2.91Å
258T82.9Confident68.5Low88 Ų8883.2 Ų83.254%0.5448%0.483SS..SBendtrans-74.7-11.6168.547.60000112.9V207 L260V207-T258 HydrophobicContact CG1-CG2 4.15Å; T258-L260 PolarHBondContact O-N 3.35Å
259N74.8Confident66.1Low110 Ų11085.3 Ų85.359%0.58850%0.499SS*.  trans-80.894.5179.9-71.3-53.7000112.2R208 T257 N261R208-N259 PolarHBondContact NE-O 2.96Å; R208-N259 PolarHBondContact NH2-O 3.33Å; T257-N259 HydrophobicContact CG2-CB 4.21Å; T257-N259 PolarHBondContact O-N 3.29Å; T257-N259 PolarHBondContact OG1-N 2.91Å; N259-N261 VanDerWaalsContact C-N 3.26Å; N259-N261 PolarHBondContact O-N 3.31Å
260L72.4Confident63.3Low88 Ų8891.2 Ų91.246%0.46153%0.53SS..  trans-76.9-2.5-178.7-56.8179.2000114.5K206 R208 I228 T258K206-L260 HydrophobicContact CB-CD1 4.13Å; K206-L260 HydrophobicContact CB-CD2 4.43Å; R208-L260 HydrophobicContact CB-CD2 4.11Å; I228-L260 HydrophobicContact CD1-CD2 3.97Å; T258-L260 PolarHBondContact O-N 3.35Å
261N54.2Low60.6Low152 Ų15296.6 Ų96.681%0.81355%0.551SS**  trans-113.461.2-164.4-169.677.9000114.4N259N259-N261 VanDerWaalsContact C-N 3.26Å; N259-N261 PolarHBondContact O-N 3.31Å
262V45.2Very low58.2Low96 Ų96103.6 Ų103.658%0.58259%0.587SS**  trans-144.9104.2169.1-169.10000109.1R208R208-V262 PolarHBondContact NH1-O 3.37Å
263E40.8Very low55.3Low194 Ų194110.1 Ų110.191%0.90762%0.621SS**  trans-65.4153.1170.2-79.7-178.3116.100111.3
264T36.8Very low53.1Low111 Ų111115.4 Ų115.468%0.68165%0.652SS**  trans-60.2136.9-168.5-56.10000114.2A266T264-A266 HydrophobicContact CG2-CB 4.07Å
265E35.6Very low50.5Low200 Ų200117.5 Ų117.594%0.93566%0.662SS**  trans-133.4127.7139.8-151.1169-155.500110
266A36.1Very low48.2Very low77 Ų77121.6 Ų121.664%0.63669%0.687SS**  trans-129.8155.9-172.500000110.9T264T264-A266 HydrophobicContact CG2-CB 4.07Å
267A37.6Very low45.6Very low100 Ų100128 Ų12883%0.82672%0.721SS**  trans7997.216800000118.6
268A36.2Very low43.7Very low107 Ų107133.8 Ų133.888%0.88475%0.75SS**  -140.8132.8125.100000109.1
269V39.8Very low41.5Very low139 Ų139135.9 Ų135.984%0.84276%0.763SS**  trans-133.7161.3-176.7178.40000108.5
270D32.3Very low40.1Very low128 Ų128140.3 Ų140.368%0.68478%0.78SS**  trans92.9127.9173.3-146.529000113
271K33.5Very low38.4Very low174 Ų174144.9 Ų144.976%0.75780%0.799SS**  cis-150.7153.618.6-169.3161.5-66.4-1770112.9
272L40.8Very low37.9Very low147 Ų147145.6 Ų145.677%0.7780%0.801SS**  trans-88.4138177.2-164.178.9000112.2
273N29.7Very low37.5Very low159 Ų159150.7 Ų150.785%0.8582%0.816SS**  trans-174.5143.4133.5-98.6-12.4000115.1
274V39.7Very low37.5Very low124 Ų124150.6 Ų150.675%0.75281%0.812SS**  trans-62.3144.8-175.4179.40000115
275I33.8Very low37.6Very low166 Ų166150.1 Ų150.185%0.85181%0.813SS**  -173.6146.4123.3-88.8152.5000111
276D38.4Very low37.9Very low151 Ų151149.4 Ų149.481%0.80781%0.81SS**  trans-49.9173.2-178.8-112.8-166.3000119.5
277D33.3Very low38.3Very low149 Ų149150.5 Ų150.580%0.79781%0.81SS**  trans107.4134.8151.9-131.4-123.3000118
278D44Very low39.1Very low149 Ų149153.8 Ų153.880%0.79781%0.809SS**  trans-63.5131.6-164.3-67-108.1000117.1
279V35.8Very low39.9Very low133 Ų133154.7 Ų154.781%0.80681%0.805SS**  trans-145.8131.4137.5-174.90000109.1E281V279-E281 PolarHBondContact O-N 2.9Å
280E46.1Very low40.9Very low202 Ų202149.9 Ų149.994%0.94478%0.777SS**  trans-63.3113.2166.4-67-177.614600110.4
281E36.7Very low42.9Very low184 Ų184152.7 Ų152.786%0.8678%0.779SS**  trans-136127.7167-158.6172.1-146.100111.2V279 K283V279-E281 PolarHBondContact O-N 2.9Å; E281-K283 PolarHBondContact O-N 3.47Å
282I44.9Very low45.2Very low167 Ų167147.2 Ų147.286%0.85676%0.757SS**  trans-69.396.1-166.9-62.1157.2000110.1K284I282-K284 PolarHBondContact O-N 2.64Å; I282-K284 VanDerWaalsContact O-N 3.09Å
283K36.3Very low47.2Very low204 Ų204142.3 Ų142.389%0.88773%0.732SS**  trans-78.689.8166.2-96.5-178.7176.3172.90110.1E281 S285E281-K283 PolarHBondContact O-N 3.47Å; K283-S285 PolarHBondContact O-N 2.89Å
284K41.1Very low49.9Very low192 Ų192141.7 Ų141.784%0.83572%0.724SS**  trans-53.6102.1163.2-174.9167.7-172.9162.30108.9I282I282-K284 PolarHBondContact O-N 2.64Å; I282-K284 VanDerWaalsContact O-N 3.09Å
285S38.4Very low52Low101 Ų101142.1 Ų142.171%0.70672%0.722SS**PPolyproline II helixtrans-62.8139.9172.443.80000109.7K283K283-S285 PolarHBondContact O-N 2.89Å
286E42.2Very low54.3Low185 Ų185138.3 Ų138.386%0.86470%0.699SS**PPolyproline II helixtrans-55.3135.2174.9-164.9168.1-17500109.5E288E286-E288 PolarHBondContact O-N 2.92Å
287P44.7Very low56.5Low99 Ų99133.7 Ų133.764%0.64367%0.674SS**PPolyproline II helixtrans-67.6128-163.626.2-34.3000111.3
288E53.2Low59Low170 Ų170131 Ų13179%0.79466%0.659SS**PPolyproline II helixtrans-53.5143.8156.7-68.5-169144.300108.5E286 V290E286-E288 PolarHBondContact O-N 2.92Å; E288-V290 PolarHBondContact O-N 3.39Å
289P52.9Low61Low125 Ų125131.2 Ų131.281%0.81265%0.649SS**  trans-62.4101.917726.2-33.5000108.7Y291P289-Y291 PolarHBondContact O-N 2.91Å
290V62.2Low63.3Low39 Ų39125.3 Ų125.324%0.23661%0.613CS.*  trans-54.4134.21761780000107.7E288 Q328 M329 M332E288-V290 PolarHBondContact O-N 3.39Å; V290-Q328 HydrophobicContact CG1-CB 4.18Å; V290-Q328 HydrophobicContact CG2-CB 4.01Å; V290-M329 HydrophobicContact CG1-CB 4.41Å; V290-M329 HydrophobicContact CG1-CG 3.46Å; V290-M329 VanDerWaalsContact CG1-CG 3.46Å; V290-M332 HydrophobicContact CB-SD 4.34Å; V290-M332 HydrophobicContact CG1-SD 4.35Å; V290-M332 WeakPolarHBondContact O-CE 3.49Å
291Y74.3Confident65.2Low186 Ų186120 Ų12073%0.72959%0.591SS**  trans-129.9149.1177.2-164.8-89.5000107.3P289 D293 M329P289-Y291 PolarHBondContact O-N 2.91Å; Y291-D293 PolarHBondContact O-N 3.34Å; Y291-D293 VanDerWaalsContact O-N 3.07Å; Y291-M329 VanDerWaalsContact O-SD 3.35Å
292I81Confident67.5Low59 Ų59116.9 Ų116.930%0.30358%0.577SS.*  trans-66.5111.4-179.4-55.9170.4000108.2M297 M332 I333 K336I292-M297 HydrophobicContact CG2-CE 4.16Å; I292-M332 HydrophobicContact CD1-CB 4.3Å; I292-M332 HydrophobicContact CG1-CB 4.19Å; I292-I333 HydrophobicContact CD1-CB 4.49Å; I292-I333 HydrophobicContact CD1-CG1 3.75Å; I292-I333 HydrophobicContact CG1-CG1 3.92Å; I292-I333 HydrophobicContact CG2-CD1 4.39Å; I292-I333 HydrophobicContact CG2-CG1 4.07Å; I292-K336 HydrophobicContact CD1-CG 4.07Å
293D83.1Confident69.3Low44 Ų44111.2 Ų111.224%0.23555%0.549CS..  trans-124.8105-170.3-173.2-31.1000108.9Y291 D295 K296 M297 M329Y291-D293 PolarHBondContact O-N 3.34Å; Y291-D293 VanDerWaalsContact O-N 3.07Å; D293-D295 PolarHBondContact OD1-N 3.22Å; D293-K296 HydrophobicContact CB-CB 4.2Å; D293-K296 HydrophobicContact CB-CD 3.96Å; D293-K296 HydrophobicContact CB-CG 4.17Å; D293-K296 PolarHBondContact O-N 2.89Å; D293-K296 PolarHBondContact OD1-N 3.21Å; D293-K296 VanDerWaalsContact OD2-CD 3.3Å; D293-K296 WeakPolarHBondContact OD2-CD 3.43Å; D293-K296 WeakPolarHBondContact OD2-CE 3.46Å; D293-K296 IonicContact OD2-NZ 3.44Å; D293-K296 PolarHBondContact OD2-NZ 3.39Å; D293-M297 PolarHBondContact O-N 3.48Å; D293-M329 HydrophobicContact CB-SD 4.1Å; D293-M329 PolarHBondContact N-SD 3.16Å
294E85.6Confident71.5Confident146 Ų146106.2 Ų106.268%0.68253%0.532SS*.Hα-helixtrans-63.9-43.2-175.5-169.7171.2-170.900111.4K296 M297 D298E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 PolarHBondContact O-N 3.45Å; E294-M297 PolarHBondContact O-N 2.92Å; E294-M297 VanDerWaalsContact O-N 3.13Å; E294-D298 PolarHBondContact O-N 3.04Å
295D83.4Confident73.4Confident134 Ų134104.2 Ų104.272%0.71753%0.526SS*.Hα-helixtrans-60.6-34179.1-70.4-58.4000112.2D293 R299D293-D295 PolarHBondContact OD1-N 3.22Å; D295-R299 WeakPolarHBondContact O-CB 3.48Å; D295-R299 PolarHBondContact O-N 2.89Å
296K83.1Confident75.4Confident85 Ų85103.4 Ų103.437%0.3752%0.52SS..Hα-helixtrans-72-40175.9-71.5-179.4-173.8132.90112.7D293 E294 R299 A300 I325 M329D293-K296 HydrophobicContact CB-CB 4.2Å; D293-K296 HydrophobicContact CB-CD 3.96Å; D293-K296 HydrophobicContact CB-CG 4.17Å; D293-K296 PolarHBondContact O-N 2.89Å; D293-K296 PolarHBondContact OD1-N 3.21Å; D293-K296 VanDerWaalsContact OD2-CD 3.3Å; D293-K296 WeakPolarHBondContact OD2-CD 3.43Å; D293-K296 WeakPolarHBondContact OD2-CE 3.46Å; D293-K296 IonicContact OD2-NZ 3.44Å; D293-K296 PolarHBondContact OD2-NZ 3.39Å; E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 PolarHBondContact O-N 3.45Å; K296-R299 PolarHBondContact O-N 2.94Å; K296-A300 PolarHBondContact O-N 3.2Å; K296-I325 HydrophobicContact CD-CG2 4.03Å; K296-M329 HydrophobicContact CB-CE 4.47Å
297M84.4Confident77.3Confident55 Ų5598.1 Ų98.127%0.27150%0.497SS..Hα-helixtrans-66.5-44.9175.7-66.1-174.4-7000111.1I292 D293 E294 R299 A300 L301 M329 I333I292-M297 HydrophobicContact CG2-CE 4.16Å; D293-M297 PolarHBondContact O-N 3.48Å; E294-M297 PolarHBondContact O-N 2.92Å; E294-M297 VanDerWaalsContact O-N 3.13Å; M297-R299 VanDerWaalsContact C-N 3.32Å; M297-R299 PolarHBondContact O-N 3.36Å; M297-A300 PolarHBondContact O-N 2.95Å; M297-L301 WeakPolarHBondContact O-CG 3.32Å; M297-L301 PolarHBondContact O-N 2.95Å; M297-M329 HydrophobicContact CG-CE 3.45Å; M297-M329 VanDerWaalsContact CG-CE 3.45Å; M297-M329 HydrophobicContact CG-SD 4.5Å; M297-M329 HydrophobicContact SD-CE 4.15Å; M297-I333 HydrophobicContact SD-CD1 4.13Å
298D86.3Confident78.7Confident91 Ų9197.8 Ų97.849%0.48749%0.49SS..Hα-helixtrans-63.2-38.1175.9-84.4-9.1000112E294 L301 Q302E294-D298 PolarHBondContact O-N 3.04Å; D298-L301 PolarHBondContact O-N 3.2Å; D298-Q302 WeakPolarHBondContact O-CB 3.48Å; D298-Q302 PolarHBondContact O-N 3.08Å
299R84.9Confident79.5Confident155 Ų15595.9 Ų95.959%0.58549%0.492SS*.Hα-helixtrans-64.5-41.9173.2-174.8172.9175.9166.8-5.6112.2D295 K296 M297 Q302 V303 L322D295-R299 WeakPolarHBondContact O-CB 3.48Å; D295-R299 PolarHBondContact O-N 2.89Å; K296-R299 PolarHBondContact O-N 2.94Å; M297-R299 VanDerWaalsContact C-N 3.32Å; M297-R299 PolarHBondContact O-N 3.36Å; R299-Q302 PolarHBondContact O-N 2.97Å; R299-V303 WeakPolarHBondContact O-CG2 3.23Å; R299-V303 PolarHBondContact O-N 2.81Å; R299-L322 HydrophobicContact CG-CD1 4.05Å
300A85.5Confident80.5Confident8 Ų895.3 Ų95.37%0.06649%0.487CS..Hα-helixtrans-61.9-46.8175.300000111.2K296 M297 Q302 V303 L304 L322K296-A300 PolarHBondContact O-N 3.2Å; M297-A300 PolarHBondContact O-N 2.95Å; A300-Q302 PolarHBondContact O-N 3.36Å; A300-V303 PolarHBondContact O-N 3.13Å; A300-L304 WeakPolarHBondContact O-CB 3.49Å; A300-L304 WeakPolarHBondContact O-CG 3.32Å; A300-L304 PolarHBondContact O-N 2.82Å; A300-L322 HydrophobicContact CB-CB 4.21Å
301L84.6Confident80.8Confident90 Ų9097.6 Ų97.647%0.47150%0.497SS..Hα-helixtrans-60.6-41.7174.8-70.8172.2000112.3M297 D298 L304 Q305M297-L301 WeakPolarHBondContact O-CG 3.32Å; M297-L301 PolarHBondContact O-N 2.95Å; D298-L301 PolarHBondContact O-N 3.2Å; L301-L304 PolarHBondContact O-N 3.32Å; L301-Q305 WeakPolarHBondContact O-CB 3.45Å; L301-Q305 VanDerWaalsContact O-CG 3.26Å; L301-Q305 WeakPolarHBondContact O-CG 3.39Å; L301-Q305 PolarHBondContact O-N 3.48Å
302Q84.6Confident80.5Confident120 Ų12094.4 Ų94.456%0.56150%0.502SS*.Hα-helixtrans-66.6-37.5179.2-178.359.192.600112.2D298 R299 A300 S306D298-Q302 WeakPolarHBondContact O-CB 3.48Å; D298-Q302 PolarHBondContact O-N 3.08Å; R299-Q302 PolarHBondContact O-N 2.97Å; A300-Q302 PolarHBondContact O-N 3.36Å; Q302-S306 WeakPolarHBondContact O-CB 3.35Å; Q302-S306 PolarHBondContact O-N 3.17Å; Q302-S306 PolarHBondContact O-OG 3.17Å
303V83.1Confident80Confident47 Ų4798.4 Ų98.429%0.28552%0.518SS..Hα-helixtrans-67.3-50.1172.9175.60000109.9R299 A300 Q305 S306 I307 L319R299-V303 WeakPolarHBondContact O-CG2 3.23Å; R299-V303 PolarHBondContact O-N 2.81Å; A300-V303 PolarHBondContact O-N 3.13Å; V303-Q305 VanDerWaalsContact C-N 3.31Å; V303-Q305 PolarHBondContact O-N 3.36Å; V303-S306 PolarHBondContact O-N 3.1Å; V303-S306 PolarHBondContact O-OG 2.97Å; V303-I307 HydrophobicContact CG1-CD1 4.03Å; V303-I307 WeakPolarHBondContact O-CG1 3.38Å; V303-I307 PolarHBondContact O-N 3.1Å; V303-L319 HydrophobicContact CB-CD1 4.4Å; V303-L319 HydrophobicContact CG1-CB 4.43Å; V303-L319 HydrophobicContact CG1-CD1 3.95Å
304L82.9Confident79.6Confident99 Ų99102.1 Ų102.152%0.51854%0.544SS..Hα-helixtrans-56.4-40.7178.4-73.9168.7000113.1A300 L301 S306 L319A300-L304 WeakPolarHBondContact O-CB 3.49Å; A300-L304 WeakPolarHBondContact O-CG 3.32Å; A300-L304 PolarHBondContact O-N 2.82Å; L301-L304 PolarHBondContact O-N 3.32Å; L304-S306 VanDerWaalsContact C-N 3.26Å; L304-S306 PolarHBondContact O-N 3.43Å; L304-L319 HydrophobicContact CD2-CD1 4Å; L304-L319 HydrophobicContact CD2-CD2 4.22Å; L304-L319 HydrophobicContact CG-CD1 4.06Å
305Q81.8Confident79.2Confident150 Ų15099.7 Ų99.770%0.70154%0.536SS*.Hα-helixtrans-70.5-19176.5-72.817624.200114L301 V303L301-Q305 WeakPolarHBondContact O-CB 3.45Å; L301-Q305 VanDerWaalsContact O-CG 3.26Å; L301-Q305 WeakPolarHBondContact O-CG 3.39Å; L301-Q305 PolarHBondContact O-N 3.48Å; V303-Q305 VanDerWaalsContact C-N 3.31Å; V303-Q305 PolarHBondContact O-N 3.36Å
306S79.8Confident79Confident84 Ų8497.2 Ų97.259%0.58753%0.529SS*.Hα-helixtrans-91.2-10-179.373.60000114Q302 V303 L304Q302-S306 WeakPolarHBondContact O-CB 3.35Å; Q302-S306 PolarHBondContact O-N 3.17Å; Q302-S306 PolarHBondContact O-OG 3.17Å; V303-S306 PolarHBondContact O-N 3.1Å; V303-S306 PolarHBondContact O-OG 2.97Å; L304-S306 VanDerWaalsContact C-N 3.26Å; L304-S306 PolarHBondContact O-N 3.43Å
307I80.9Confident78.7Confident74 Ų7498.9 Ų98.938%0.37954%0.538SS..SBendtrans-84.2133.1-177.7-69.9165000110.4V303 P309 L319V303-I307 HydrophobicContact CG1-CD1 4.03Å; V303-I307 WeakPolarHBondContact O-CG1 3.38Å; V303-I307 PolarHBondContact O-N 3.1Å; I307-P309 WeakPolarHBondContact O-CD 3.41Å; I307-L319 HydrophobicContact CD1-CD2 3.57Å
308D75.7Confident78.4Confident93 Ų93101.4 Ų101.450%0.49755%0.553SS.*  trans-82.2115.6172.8-174.6-24000109.3T310 D311D308-T310 PolarHBondContact O-N 3.41Å; D308-T310 WeakPolarHBondContact OD1-CB 3.36Å; D308-T310 PolarHBondContact OD1-N 3.24Å; D308-T310 PolarHBondContact OD1-OG1 2.85Å; D308-T310 PolarHBondContact OD2-OG1 3.36Å; D308-D311 HydrophobicContact CB-CB 4.49Å; D308-D311 PolarHBondContact O-N 3.28Å
309P69.3Low78.1Confident129 Ų12997.7 Ų97.784%0.83853%0.533SS*.THydrogen-bonded Turntrans-692.4-179.731-37000113.9I307I307-P309 WeakPolarHBondContact O-CD 3.41Å
310T73.3Confident78.1Confident114 Ų11493.8 Ų93.870%0.69952%0.523SS*.THydrogen-bonded Turntrans-104.4-3.9172.2690000114.1D308D308-T310 PolarHBondContact O-N 3.41Å; D308-T310 WeakPolarHBondContact OD1-CB 3.36Å; D308-T310 PolarHBondContact OD1-N 3.24Å; D308-T310 PolarHBondContact OD1-OG1 2.85Å; D308-T310 PolarHBondContact OD2-OG1 3.36Å
311D70.1Confident77.9Confident86 Ų8697.2 Ų97.246%0.4654%0.54SS..  trans-75.3139.1172.7-159.90.5000110.5D308 K313D308-D311 HydrophobicContact CB-CB 4.49Å; D308-D311 PolarHBondContact O-N 3.28Å; D311-K313 IonicContact OD1-NZ 2.66Å; D311-K313 PolarHBondContact OD1-NZ 3.08Å; D311-K313 IonicContact OD2-NZ 3.37Å; D311-K313 PolarHBondContact OD2-NZ 3.24Å
312S66.1Low77.9Confident120 Ų12093.9 Ų93.984%0.83952%0.523SS*.  trans-100.516.8-176.6-52.90000112.9
313K71.6Confident77.9Confident143 Ų14393.7 Ų93.762%0.62252%0.522SS*.SBendtrans-79.4144.3175.1-65.6-176.9-160.3720109.5D311D311-K313 IonicContact OD1-NZ 2.66Å; D311-K313 PolarHBondContact OD1-NZ 3.08Å; D311-K313 IonicContact OD2-NZ 3.37Å; D311-K313 PolarHBondContact OD2-NZ 3.24Å
314P73.9Confident78Confident121 Ų12195.2 Ų95.279%0.78653%0.529SS*.PPolyproline II helixtrans-63.3152.4168.529.7-34.8000110.2
315D78.1Confident78.1Confident96 Ų9693.2 Ų93.251%0.51352%0.518SS..PPolyproline II helixtrans-58.7145.6177-64.1-56.5000112L319D315-L319 HydrophobicContact CB-CD2 4.23Å
316S79.3Confident78.2Confident82 Ų8287.9 Ų87.957%0.57350%0.496SS*.PPolyproline II helixtrans-68.8143.5177.2-62.30000110.8D318 L319 L320S316-D318 VanDerWaalsContact C-N 3.25Å; S316-D318 PolarHBondContact O-N 3.18Å; S316-L319 WeakPolarHBondContact O-CB 3.34Å; S316-L319 PolarHBondContact O-N 3.43Å; S316-L320 PolarHBondContact O-N 3.33Å
317Q75.8Confident78.6Confident119 Ų11990.7 Ų90.756%0.55650%0.5SS*.Hα-helixtrans-54.8-42.1177.7-170.661.146.300112L319 L320 D321Q317-L319 PolarHBondContact O-N 3.38Å; Q317-L319 VanDerWaalsContact O-N 3.11Å; Q317-L320 PolarHBondContact O-N 3.24Å; Q317-D321 PolarHBondContact NE2-OD1 3.4Å; Q317-D321 VanDerWaalsContact O-CG 3.3Å; Q317-D321 PolarHBondContact O-N 3.32Å
318D78.5Confident78.9Confident109 Ų10991.1 Ų91.158%0.58350%0.501SS*.Hα-helixtrans-52.6-30.9173.4-64.632000114.2S316 L322S316-D318 VanDerWaalsContact C-N 3.25Å; S316-D318 PolarHBondContact O-N 3.18Å; D318-L322 WeakPolarHBondContact O-CB 3.46Å; D318-L322 WeakPolarHBondContact O-CD1 3.38Å; D318-L322 WeakPolarHBondContact O-CG 3.49Å; D318-L322 PolarHBondContact O-N 3.47Å
319L81.2Confident79.4Confident13 Ų1386.7 Ų86.77%0.06848%0.477CS..Hα-helixtrans-77.8-42.9177.1177.162.3000111.2V303 L304 I307 D315 S316 Q317 D321 L322 E323V303-L319 HydrophobicContact CB-CD1 4.4Å; V303-L319 HydrophobicContact CG1-CB 4.43Å; V303-L319 HydrophobicContact CG1-CD1 3.95Å; L304-L319 HydrophobicContact CD2-CD1 4Å; L304-L319 HydrophobicContact CD2-CD2 4.22Å; L304-L319 HydrophobicContact CG-CD1 4.06Å; I307-L319 HydrophobicContact CD1-CD2 3.57Å; D315-L319 HydrophobicContact CB-CD2 4.23Å; S316-L319 WeakPolarHBondContact O-CB 3.34Å; S316-L319 PolarHBondContact O-N 3.43Å; Q317-L319 PolarHBondContact O-N 3.38Å; Q317-L319 VanDerWaalsContact O-N 3.11Å; L319-D321 VanDerWaalsContact C-N 3.32Å; L319-L322 PolarHBondContact O-N 3.09Å; L319-E323 WeakPolarHBondContact O-CB 3.37Å; L319-E323 PolarHBondContact O-N 3.42Å
320L83.1Confident80.2Confident72 Ų7281.8 Ų81.838%0.37745%0.45SS..Hα-helixtrans-63.5-40.3177.6-64.8168000111.1S316 Q317 E323 D324S316-L320 PolarHBondContact O-N 3.33Å; Q317-L320 PolarHBondContact O-N 3.24Å; L320-E323 PolarHBondContact O-N 3.38Å; L320-D324 PolarHBondContact O-N 3.36Å
321D83Confident81Confident81 Ų8180.4 Ų80.443%0.43344%0.443SS..Hα-helixtrans-67.1-39.9176-62.4-14.9000111.2Q317 L319 I325Q317-D321 PolarHBondContact NE2-OD1 3.4Å; Q317-D321 VanDerWaalsContact O-CG 3.3Å; Q317-D321 PolarHBondContact O-N 3.32Å; L319-D321 VanDerWaalsContact C-N 3.32Å; D321-I325 WeakPolarHBondContact O-CD1 3.23Å; D321-I325 WeakPolarHBondContact O-CG1 3.36Å; D321-I325 PolarHBondContact O-N 2.96Å; D321-I325 VanDerWaalsContact O-N 3.11Å
322L82.9Confident81.8Confident20 Ų2079.3 Ų79.311%0.10544%0.435CS..Hα-helixtrans-67-36.6173.8-78.7170.8000112.7R299 A300 D318 L319 C326R299-L322 HydrophobicContact CG-CD1 4.05Å; A300-L322 HydrophobicContact CB-CB 4.21Å; D318-L322 WeakPolarHBondContact O-CB 3.46Å; D318-L322 WeakPolarHBondContact O-CD1 3.38Å; D318-L322 WeakPolarHBondContact O-CG 3.49Å; D318-L322 PolarHBondContact O-N 3.47Å; L319-L322 PolarHBondContact O-N 3.09Å; L322-C326 WeakPolarHBondContact O-CB 3.36Å; L322-C326 PolarHBondContact O-N 2.88Å; L322-C326 PolarHBondContact O-SG 3.02Å
323E85.9Confident82.9Confident115 Ų11576.1 Ų76.154%0.53741%0.408SS..Hα-helixtrans-64.6-48.3175.7-176.2176.1-154.400111.2L319 L320 I325 C326 Q327L319-E323 WeakPolarHBondContact O-CB 3.37Å; L319-E323 PolarHBondContact O-N 3.42Å; L320-E323 PolarHBondContact O-N 3.38Å; E323-I325 VanDerWaalsContact C-N 3.33Å; E323-I325 PolarHBondContact O-N 3.19Å; E323-C326 PolarHBondContact O-N 3.03Å; E323-C326 VanDerWaalsContact O-N 3.15Å; E323-Q327 WeakPolarHBondContact O-CB 3.35Å; E323-Q327 PolarHBondContact O-N 3.16Å
324D84.9Confident83.9Confident80 Ų8074.3 Ų74.343%0.42841%0.406SS..Hα-helixtrans-61.6-40.2177.5-171.978000111.6L320 Q327 Q328L320-D324 PolarHBondContact O-N 3.36Å; D324-Q327 PolarHBondContact O-N 3.45Å; D324-Q328 WeakPolarHBondContact O-CG 3.05Å; D324-Q328 PolarHBondContact O-N 3.01Å; D324-Q328 PolarHBondContact OD2-NE2 3.2Å
325I84.7Confident84.8Confident57 Ų5774.5 Ų74.529%0.29240%0.396SS..Hα-helixtrans-62.6-44173.3-67.7163.4000111.4K296 D321 E323 Q327 Q328 M329K296-I325 HydrophobicContact CD-CG2 4.03Å; D321-I325 WeakPolarHBondContact O-CD1 3.23Å; D321-I325 WeakPolarHBondContact O-CG1 3.36Å; D321-I325 PolarHBondContact O-N 2.96Å; D321-I325 VanDerWaalsContact O-N 3.11Å; E323-I325 VanDerWaalsContact C-N 3.33Å; E323-I325 PolarHBondContact O-N 3.19Å; I325-Q327 VanDerWaalsContact C-N 3.33Å; I325-Q327 PolarHBondContact O-N 3.41Å; I325-Q328 PolarHBondContact O-N 3.44Å; I325-M329 HydrophobicContact CG2-CE 4.16Å; I325-M329 WeakPolarHBondContact O-CG 3.09Å; I325-M329 PolarHBondContact O-N 2.83Å; I325-M329 VanDerWaalsContact O-N 3.1Å
326C85.1Confident85.4Confident37 Ų3774.4 Ų74.425%0.2539%0.391CS..Hα-helixtrans-63.8-38.9175.9-68.80000112.1L322 E323 M329 G330L322-C326 WeakPolarHBondContact O-CB 3.36Å; L322-C326 PolarHBondContact O-N 2.88Å; L322-C326 PolarHBondContact O-SG 3.02Å; E323-C326 PolarHBondContact O-N 3.03Å; E323-C326 VanDerWaalsContact O-N 3.15Å; C326-M329 HydrophobicContact CB-CE 4.39Å; C326-M329 PolarHBondContact O-N 2.97Å; C326-G330 PolarHBondContact O-N 3.01Å
327Q86.7Confident86.1Confident144 Ų14474.8 Ų74.867%0.67339%0.386SS*.Hα-helixtrans-68.6-34.3177.9-167.7166.113.600112.2E323 D324 I325 P331E323-Q327 WeakPolarHBondContact O-CB 3.35Å; E323-Q327 PolarHBondContact O-N 3.16Å; D324-Q327 PolarHBondContact O-N 3.45Å; I325-Q327 VanDerWaalsContact C-N 3.33Å; I325-Q327 PolarHBondContact O-N 3.41Å; Q327-P331 WeakPolarHBondContact O-CD 3.39Å
328Q87.4Confident87Confident82 Ų8275.5 Ų75.538%0.38339%0.39SS..Hα-helixtrans-71-27.9172.2-70.9-175.264.300113.3V290 D324 I325V290-Q328 HydrophobicContact CG1-CB 4.18Å; V290-Q328 HydrophobicContact CG2-CB 4.01Å; D324-Q328 WeakPolarHBondContact O-CG 3.05Å; D324-Q328 PolarHBondContact O-N 3.01Å; D324-Q328 PolarHBondContact OD2-NE2 3.2Å; I325-Q328 PolarHBondContact O-N 3.44Å
329M85.8Confident87.8Confident1 Ų172.7 Ų72.71%0.00537%0.373CS..Hα-helixtrans-72.5-28.9174.5-73.3-173.8-67.900113.4V290 Y291 D293 K296 M297 I325 C326 M332 I333V290-M329 HydrophobicContact CG1-CB 4.41Å; V290-M329 HydrophobicContact CG1-CG 3.46Å; V290-M329 VanDerWaalsContact CG1-CG 3.46Å; Y291-M329 VanDerWaalsContact O-SD 3.35Å; D293-M329 HydrophobicContact CB-SD 4.1Å; D293-M329 PolarHBondContact N-SD 3.16Å; K296-M329 HydrophobicContact CB-CE 4.47Å; M297-M329 HydrophobicContact CG-CE 3.45Å; M297-M329 VanDerWaalsContact CG-CE 3.45Å; M297-M329 HydrophobicContact CG-SD 4.5Å; M297-M329 HydrophobicContact SD-CE 4.15Å; I325-M329 HydrophobicContact CG2-CE 4.16Å; I325-M329 WeakPolarHBondContact O-CG 3.09Å; I325-M329 PolarHBondContact O-N 2.83Å; I325-M329 VanDerWaalsContact O-N 3.1Å; C326-M329 HydrophobicContact CB-CE 4.39Å; C326-M329 PolarHBondContact O-N 2.97Å; M329-M332 WeakPolarHBondContact O-CB 3.41Å; M329-M332 PolarHBondContact O-N 3.05Å; M329-M332 VanDerWaalsContact O-N 3.08Å; M329-I333 HydrophobicContact CB-CD1 4.31Å; M329-I333 WeakPolarHBondContact O-CG1 3.47Å; M329-I333 PolarHBondContact O-N 3.21Å; M329-I333 VanDerWaalsContact O-N 3.09Å
330G86.6Confident88.5Confident25 Ų2576.8 Ų76.826%0.25839%0.394SS..Hα-helixtrans-48.4-56.9-176.500000114.9C326 M332 I333 D334C326-G330 PolarHBondContact O-N 3.01Å; G330-M332 PolarHBondContact O-N 3.36Å; G330-M332 VanDerWaalsContact O-N 3.15Å; G330-I333 WeakPolarHBondContact O-CB 3.35Å; G330-I333 PolarHBondContact O-N 3.13Å; G330-D334 PolarHBondContact O-N 2.72Å
331P90.6Very high89.1Confident85 Ų8578.7 Ų78.755%0.55241%0.405SS*.Hα-helixtrans-58.6-28.9179.7-26.535.3000114.7Q327 E335Q327-P331 WeakPolarHBondContact O-CD 3.39Å; P331-E335 PolarHBondContact O-N 3.49Å
332M86.1Confident89.8Confident63 Ų6381 Ų8131%0.3141%0.407SS..Hα-helixtrans-77.8-33.7177.1-60.5-177.76600112.2V290 I292 M329 G330 K336V290-M332 HydrophobicContact CB-SD 4.34Å; V290-M332 HydrophobicContact CG1-SD 4.35Å; V290-M332 WeakPolarHBondContact O-CE 3.49Å; I292-M332 HydrophobicContact CD1-CB 4.3Å; I292-M332 HydrophobicContact CG1-CB 4.19Å; M329-M332 WeakPolarHBondContact O-CB 3.41Å; M329-M332 PolarHBondContact O-N 3.05Å; M329-M332 VanDerWaalsContact O-N 3.08Å; G330-M332 PolarHBondContact O-N 3.36Å; G330-M332 VanDerWaalsContact O-N 3.15Å; M332-K336 WeakPolarHBondContact O-CB 3.49Å; M332-K336 VanDerWaalsContact O-CG 3.23Å; M332-K336 WeakPolarHBondContact O-CG 3.46Å; M332-K336 PolarHBondContact O-N 2.95Å
333I90.3Very high90.4Very high53 Ų5385.1 Ų85.127%0.27242%0.424SS..Hα-helixtrans-64.7-46.2171.7-64.1165000108.7I292 M297 M329 G330 E335 K336 L337I292-I333 HydrophobicContact CD1-CB 4.49Å; I292-I333 HydrophobicContact CD1-CG1 3.75Å; I292-I333 HydrophobicContact CG1-CG1 3.92Å; I292-I333 HydrophobicContact CG2-CD1 4.39Å; I292-I333 HydrophobicContact CG2-CG1 4.07Å; M297-I333 HydrophobicContact SD-CD1 4.13Å; M329-I333 HydrophobicContact CB-CD1 4.31Å; M329-I333 WeakPolarHBondContact O-CG1 3.47Å; M329-I333 PolarHBondContact O-N 3.21Å; M329-I333 VanDerWaalsContact O-N 3.09Å; G330-I333 WeakPolarHBondContact O-CB 3.35Å; G330-I333 PolarHBondContact O-N 3.13Å; I333-E335 PolarHBondContact O-N 3.31Å; I333-K336 PolarHBondContact O-N 2.95Å; I333-K336 VanDerWaalsContact O-N 3.15Å; I333-L337 HydrophobicContact CG2-CD1 3.97Å; I333-L337 HydrophobicContact CG2-CG 4.36Å; I333-L337 VanDerWaalsContact O-CG 3.32Å; I333-L337 WeakPolarHBondContact O-CG 3.43Å; I333-L337 PolarHBondContact O-N 3.36Å
334D91.4Very high90.9Very high106 Ų10685.5 Ų85.557%0.56743%0.426SS*.Hα-helixtrans-58.6-46.6176.2-68.5-25.7000112G330 K336 L337 E338G330-D334 PolarHBondContact O-N 2.72Å; D334-K336 VanDerWaalsContact C-N 3.31Å; D334-K336 PolarHBondContact O-N 3.24Å; D334-L337 PolarHBondContact O-N 3.41Å; D334-E338 PolarHBondContact O-N 3.18Å
335E92.9Very high91.5Very high124 Ų12485.5 Ų85.558%0.57943%0.432SS*.Hα-helixtrans-61-38.8175.3-172.2-172.1171.800112.1P331 I333 E338 E339P331-E335 PolarHBondContact O-N 3.49Å; I333-E335 PolarHBondContact O-N 3.31Å; E335-E338 PolarHBondContact O-N 3.22Å; E335-E339 WeakPolarHBondContact O-CB 3.41Å; E335-E339 PolarHBondContact O-N 2.81Å
336K91.5Very high92.1Very high94 Ų9488.1 Ų88.141%0.40944%0.443SS..Hα-helixtrans-70.7-35.3177.9-75.6-79.3159-96.70112.3I292 M332 I333 D334 E339 I340I292-K336 HydrophobicContact CD1-CG 4.07Å; M332-K336 WeakPolarHBondContact O-CB 3.49Å; M332-K336 VanDerWaalsContact O-CG 3.23Å; M332-K336 WeakPolarHBondContact O-CG 3.46Å; M332-K336 PolarHBondContact O-N 2.95Å; I333-K336 PolarHBondContact O-N 2.95Å; I333-K336 VanDerWaalsContact O-N 3.15Å; D334-K336 VanDerWaalsContact C-N 3.31Å; D334-K336 PolarHBondContact O-N 3.24Å; K336-E339 IonicContact NZ-OE2 3.71Å; K336-E339 PolarHBondContact NZ-OE2 3.22Å; K336-E339 PolarHBondContact O-N 3.32Å; K336-I340 WeakPolarHBondContact O-CD1 3.13Å; K336-I340 VanDerWaalsContact O-CG1 3.27Å; K336-I340 WeakPolarHBondContact O-CG1 3.41Å; K336-I340 PolarHBondContact O-N 2.84Å
337L93.8Very high92.6Very high91 Ų9191.9 Ų91.948%0.47646%0.46SS..Hα-helixtrans-66.2-45.9172.2-70.1171.2000110.9I333 D334 E339 I340 D341I333-L337 HydrophobicContact CG2-CD1 3.97Å; I333-L337 HydrophobicContact CG2-CG 4.36Å; I333-L337 VanDerWaalsContact O-CG 3.32Å; I333-L337 WeakPolarHBondContact O-CG 3.43Å; I333-L337 PolarHBondContact O-N 3.36Å; D334-L337 PolarHBondContact O-N 3.41Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 3.45Å; L337-I340 WeakPolarHBondContact O-CB 3.47Å; L337-I340 PolarHBondContact O-N 3.43Å; L337-D341 PolarHBondContact O-N 2.82Å
338E95Very high93.1Very high134 Ų13487.4 Ų87.463%0.62645%0.445SS*.Hα-helixtrans-61.1-38.1174.9-170.1-178.1178.300111.9D334 E335 I340 D341 R342D334-E338 PolarHBondContact O-N 3.18Å; E335-E338 PolarHBondContact O-N 3.22Å; E338-I340 VanDerWaalsContact C-N 3.35Å; E338-I340 PolarHBondContact O-N 3.06Å; E338-D341 PolarHBondContact O-N 2.86Å; E338-R342 WeakPolarHBondContact O-CB 3.2Å; E338-R342 PolarHBondContact O-N 3.01Å
339E95.1Very high93.5Very high50 Ų5088.7 Ų88.723%0.23445%0.451CS..Hα-helixtrans-63.7-38173.4-176.3-179.5-176.200112.5E335 K336 L337 K343E335-E339 WeakPolarHBondContact O-CB 3.41Å; E335-E339 PolarHBondContact O-N 2.81Å; K336-E339 IonicContact NZ-OE2 3.71Å; K336-E339 PolarHBondContact NZ-OE2 3.22Å; K336-E339 PolarHBondContact O-N 3.32Å; L337-E339 VanDerWaalsContact C-N 3.3Å; L337-E339 PolarHBondContact O-N 3.45Å; E339-K343 VanDerWaalsContact CD-NZ 3.27Å; E339-K343 HydrophobicContact CG-CD 4.37Å; E339-K343 VanDerWaalsContact O-CG 3.32Å; E339-K343 WeakPolarHBondContact O-CG 3.25Å; E339-K343 PolarHBondContact O-N 3.05Å; E339-K343 VanDerWaalsContact O-N 3.12Å; E339-K343 VanDerWaalsContact OE1-CE 3.28Å; E339-K343 WeakPolarHBondContact OE1-CE 3.39Å; E339-K343 IonicContact OE1-NZ 3.9Å; E339-K343 PolarHBondContact OE1-NZ 3.46Å
340I95.8Very high94.1Very high98 Ų9893.5 Ų93.550%0.50348%0.476SS..Hα-helixtrans-68.6-46.7176-71.9164.1000110.6K336 L337 E338 R342 K343 H344K336-I340 WeakPolarHBondContact O-CD1 3.13Å; K336-I340 VanDerWaalsContact O-CG1 3.27Å; K336-I340 WeakPolarHBondContact O-CG1 3.41Å; K336-I340 PolarHBondContact O-N 2.84Å; L337-I340 WeakPolarHBondContact O-CB 3.47Å; L337-I340 PolarHBondContact O-N 3.43Å; E338-I340 VanDerWaalsContact C-N 3.35Å; E338-I340 PolarHBondContact O-N 3.06Å; I340-R342 VanDerWaalsContact C-N 3.33Å; I340-R342 PolarHBondContact O-N 2.85Å; I340-K343 PolarHBondContact O-N 3.11Å; I340-H344 WeakPolarHBondContact O-CB 3.42Å; I340-H344 PolarHBondContact O-N 2.99Å
341D96.1Very high94.5Very high113 Ų11396.3 Ų96.360%0.60449%0.485SS*.Hα-helixtrans-61.3-41.4178.2-80.2-9.9000111.7L337 E338 H344 S345L337-D341 PolarHBondContact O-N 2.82Å; E338-D341 PolarHBondContact O-N 2.86Å; D341-H344 PolarHBondContact O-N 3.47Å; D341-S345 WeakPolarHBondContact O-CB 3.35Å; D341-S345 PolarHBondContact O-N 2.82Å
342R97.4Very high94.9Very high129 Ų12995.8 Ų95.849%0.48748%0.48SS..Hα-helixtrans-58.7-49.9172.2-179.5172.564.6-133-1.1111.5E338 I340 H344 S345 E346E338-R342 WeakPolarHBondContact O-CB 3.2Å; E338-R342 PolarHBondContact O-N 3.01Å; I340-R342 VanDerWaalsContact C-N 3.33Å; I340-R342 PolarHBondContact O-N 2.85Å; R342-H344 VanDerWaalsContact C-N 3.32Å; R342-H344 PolarHBondContact O-N 3.23Å; R342-S345 WeakPolarHBondContact O-CB 3.43Å; R342-S345 PolarHBondContact O-N 2.89Å; R342-E346 WeakPolarHBondContact CG-OE1 3.23Å; R342-E346 WeakPolarHBondContact O-CG 3.4Å; R342-E346 PolarHBondContact O-N 3.38Å
343K95.6Very high95.4Very high106 Ų10697.6 Ų97.646%0.46149%0.486SS..Hα-helixtrans-62.4-37.4177.5-73.9169.2-173.4165.60112.4E339 I340 L347E339-K343 VanDerWaalsContact CD-NZ 3.27Å; E339-K343 HydrophobicContact CG-CD 4.37Å; E339-K343 VanDerWaalsContact O-CG 3.32Å; E339-K343 WeakPolarHBondContact O-CG 3.25Å; E339-K343 PolarHBondContact O-N 3.05Å; E339-K343 VanDerWaalsContact O-N 3.12Å; E339-K343 VanDerWaalsContact OE1-CE 3.28Å; E339-K343 WeakPolarHBondContact OE1-CE 3.39Å; E339-K343 IonicContact OE1-NZ 3.9Å; E339-K343 PolarHBondContact OE1-NZ 3.46Å; I340-K343 PolarHBondContact O-N 3.11Å; K343-L347 VanDerWaalsContact O-CB 3.29Å; K343-L347 WeakPolarHBondContact O-CB 3.2Å; K343-L347 PolarHBondContact O-N 3.49Å
344H96.6Very high95.7Very high123 Ų12398.5 Ų98.557%0.56949%0.494SS*.Hα-helixtrans-67-39.9176.4-174.3-90.8000111.5I340 D341 R342 S348I340-H344 WeakPolarHBondContact O-CB 3.42Å; I340-H344 PolarHBondContact O-N 2.99Å; D341-H344 PolarHBondContact O-N 3.47Å; R342-H344 VanDerWaalsContact C-N 3.32Å; R342-H344 PolarHBondContact O-N 3.23Å; H344-S348 VanDerWaalsContact O-CB 3.3Å; H344-S348 WeakPolarHBondContact O-CB 3.46Å; H344-S348 PolarHBondContact O-N 3.27Å; H344-S348 PolarHBondContact O-OG 2.95Å
345S96.6Very high95.9Very high80 Ų8097.1 Ų97.156%0.55949%0.486SS*.Hα-helixtrans-62.9-50173.9-164.30000111.9D341 R342 L347 S348 E349D341-S345 WeakPolarHBondContact O-CB 3.35Å; D341-S345 PolarHBondContact O-N 2.82Å; R342-S345 WeakPolarHBondContact O-CB 3.43Å; R342-S345 PolarHBondContact O-N 2.89Å; S345-L347 PolarHBondContact O-N 2.68Å; S345-S348 WeakPolarHBondContact O-CB 3.36Å; S345-S348 PolarHBondContact O-N 2.81Å; S345-E349 PolarHBondContact O-N 2.81Å
346E97.3Very high96.1Very high112 Ų11297 Ų9752%0.52349%0.486SS..Hα-helixtrans-58-44.7176.1-72.6172.8-164.300112.2R342 E349 L350R342-E346 WeakPolarHBondContact CG-OE1 3.23Å; R342-E346 WeakPolarHBondContact O-CG 3.4Å; R342-E346 PolarHBondContact O-N 3.38Å; E346-E349 PolarHBondContact O-N 2.95Å; E346-L350 WeakPolarHBondContact O-CB 3.23Å; E346-L350 PolarHBondContact O-N 3.26Å
347L96.4Very high96.3Very high116 Ų11695.2 Ų95.261%0.60749%0.489SS*.Hα-helixtrans-66.2-37.9178-17662000112K343 S345 L350 N351K343-L347 VanDerWaalsContact O-CB 3.29Å; K343-L347 WeakPolarHBondContact O-CB 3.2Å; K343-L347 PolarHBondContact O-N 3.49Å; S345-L347 PolarHBondContact O-N 2.68Å; L347-L350 PolarHBondContact O-N 3.44Å; L347-N351 WeakPolarHBondContact O-CB 3.44Å; L347-N351 PolarHBondContact O-N 3.25Å
348S96.3Very high96.4Very high51 Ų5195.2 Ų95.236%0.35749%0.489SS..Hα-helixtrans-66.2-43.8175.8-62.30000111.7H344 S345 L350 N351 V352H344-S348 VanDerWaalsContact O-CB 3.3Å; H344-S348 WeakPolarHBondContact O-CB 3.46Å; H344-S348 PolarHBondContact O-N 3.27Å; H344-S348 PolarHBondContact O-OG 2.95Å; S345-S348 WeakPolarHBondContact O-CB 3.36Å; S345-S348 PolarHBondContact O-N 2.81Å; S348-L350 VanDerWaalsContact C-N 3.35Å; S348-L350 PolarHBondContact O-N 3.36Å; S348-N351 PolarHBondContact O-N 2.64Å; S348-V352 WeakPolarHBondContact O-CG2 3.46Å; S348-V352 PolarHBondContact O-N 2.89Å
349E97.3Very high96.3Very high109 Ų10995.7 Ų95.751%0.50949%0.491SS..Hα-helixtrans-62.5-41.3174.9-162.3-160.4168.200111.5S345 E346 V352 K353S345-E349 PolarHBondContact O-N 2.81Å; E346-E349 PolarHBondContact O-N 2.95Å; E349-V352 PolarHBondContact O-N 3.43Å; E349-K353 WeakPolarHBondContact O-CG 3.16Å; E349-K353 PolarHBondContact O-N 2.86Å; E349-K353 WeakPolarHBondContact OE1-CE 3.5Å; E349-K353 IonicContact OE1-NZ 2.57Å; E349-K353 PolarHBondContact OE1-NZ 3.36Å; E349-K353 IonicContact OE2-NZ 2.71Å; E349-K353 PolarHBondContact OE2-NZ 2.87Å
350L97.3Very high96.3Very high102 Ų10298.5 Ų98.553%0.53451%0.507SS..Hα-helixtrans-64-40.4175.3-175.462.3000111.9E346 L347 S348 K353 V354E346-L350 WeakPolarHBondContact O-CB 3.23Å; E346-L350 PolarHBondContact O-N 3.26Å; L347-L350 PolarHBondContact O-N 3.44Å; S348-L350 VanDerWaalsContact C-N 3.35Å; S348-L350 PolarHBondContact O-N 3.36Å; L350-K353 PolarHBondContact O-N 3.23Å; L350-V354 WeakPolarHBondContact O-CG2 3.11Å; L350-V354 PolarHBondContact O-N 3.23Å
351N96.3Very high96.1Very high83 Ų83100.8 Ų100.844%0.44451%0.511SS..Hα-helixtrans-63-41.8176.4-172.947.6000111.9L347 S348 V354 L355L347-N351 WeakPolarHBondContact O-CB 3.44Å; L347-N351 PolarHBondContact O-N 3.25Å; S348-N351 PolarHBondContact O-N 2.64Å; N351-V354 PolarHBondContact O-N 3.38Å; N351-L355 WeakPolarHBondContact O-CG 3.41Å; N351-L355 PolarHBondContact O-N 3.03Å
352V97.4Very high95.9Very high75 Ų7599.3 Ų99.346%0.45550%0.503SS..Hα-helixtrans-58.8-48.8173.1173.10000110.9S348 E349 V354 L355 E356S348-V352 WeakPolarHBondContact O-CG2 3.46Å; S348-V352 PolarHBondContact O-N 2.89Å; E349-V352 PolarHBondContact O-N 3.43Å; V352-V354 VanDerWaalsContact C-N 3.28Å; V352-V354 PolarHBondContact O-N 3.12Å; V352-L355 PolarHBondContact O-N 3.25Å; V352-L355 VanDerWaalsContact O-N 3.09Å; V352-E356 HydrophobicContact CG1-CG 4.42Å; V352-E356 WeakPolarHBondContact O-CG 3.47Å; V352-E356 PolarHBondContact O-N 2.9Å
353K96.9Very high95.6Very high100 Ų10099.5 Ų99.544%0.43551%0.507SS..Hα-helixtrans-59.6-35.8177.6-70.5167.8-175.41650112.9E349 L350 A357E349-K353 WeakPolarHBondContact O-CG 3.16Å; E349-K353 PolarHBondContact O-N 2.86Å; E349-K353 WeakPolarHBondContact OE1-CE 3.5Å; E349-K353 IonicContact OE1-NZ 2.57Å; E349-K353 PolarHBondContact OE1-NZ 3.36Å; E349-K353 IonicContact OE2-NZ 2.71Å; E349-K353 PolarHBondContact OE2-NZ 2.87Å; L350-K353 PolarHBondContact O-N 3.23Å; K353-A357 WeakPolarHBondContact O-CB 3.5Å; K353-A357 PolarHBondContact O-N 2.88Å
354V97.4Very high95.3Very high72 Ų7299.5 Ų99.544%0.43651%0.511SS..Hα-helixtrans-67.7-42174.8169.30000111.3L350 N351 V352 A357 L358L350-V354 WeakPolarHBondContact O-CG2 3.11Å; L350-V354 PolarHBondContact O-N 3.23Å; N351-V354 PolarHBondContact O-N 3.38Å; V352-V354 VanDerWaalsContact C-N 3.28Å; V352-V354 PolarHBondContact O-N 3.12Å; V354-A357 PolarHBondContact O-N 3.31Å; V354-L358 HydrophobicContact CG1-CD1 4.09Å; V354-L358 VanDerWaalsContact O-CG 3.31Å; V354-L358 WeakPolarHBondContact O-CG 3.48Å; V354-L358 PolarHBondContact O-N 3.05Å
355L95.5Very high94.8Very high78 Ų7896.9 Ų96.941%0.40850%0.504SS..Hα-helixtrans-65-44.2176.6-68.4171.7000111.8N351 V352 A357 L358 E359N351-L355 WeakPolarHBondContact O-CG 3.41Å; N351-L355 PolarHBondContact O-N 3.03Å; V352-L355 PolarHBondContact O-N 3.25Å; V352-L355 VanDerWaalsContact O-N 3.09Å; L355-A357 VanDerWaalsContact C-N 3.34Å; L355-A357 PolarHBondContact O-N 3.24Å; L355-L358 PolarHBondContact O-N 3.43Å; L355-E359 PolarHBondContact O-N 2.88Å
356E96.3Very high93.9Very high120 Ų12099.3 Ų99.356%0.56151%0.511SS*.Hα-helixtrans-59.2-43173.5-70.8-179.8169.700112V352 L358 E359 L360V352-E356 HydrophobicContact CG1-CG 4.42Å; V352-E356 WeakPolarHBondContact O-CG 3.47Å; V352-E356 PolarHBondContact O-N 2.9Å; E356-L358 VanDerWaalsContact C-N 3.35Å; E356-L358 PolarHBondContact O-N 3.03Å; E356-E359 PolarHBondContact O-N 2.89Å; E356-L360 WeakPolarHBondContact O-CB 3.48Å; E356-L360 PolarHBondContact O-N 3.22Å
357A96.2Very high92.7Very high58 Ų58100.2 Ų100.248%0.47952%0.515SS..Hα-helixtrans-64.9-37.2176.600000112.5K353 V354 L355 Y361K353-A357 WeakPolarHBondContact O-CB 3.5Å; K353-A357 PolarHBondContact O-N 2.88Å; V354-A357 PolarHBondContact O-N 3.31Å; L355-A357 VanDerWaalsContact C-N 3.34Å; L355-A357 PolarHBondContact O-N 3.24Å; A357-Y361 WeakPolarHBondContact O-CB 3.48Å; A357-Y361 PolarHBondContact O-N 3.2Å
358L94.9Very high91.2Very high91 Ų9196.7 Ų96.748%0.47650%0.503SS..Hα-helixtrans-69.8-37.8174.7-73.5171.4000112.3V354 L355 E356 N362V354-L358 HydrophobicContact CG1-CD1 4.09Å; V354-L358 VanDerWaalsContact O-CG 3.31Å; V354-L358 WeakPolarHBondContact O-CG 3.48Å; V354-L358 PolarHBondContact O-N 3.05Å; L355-L358 PolarHBondContact O-N 3.43Å; E356-L358 VanDerWaalsContact C-N 3.35Å; E356-L358 PolarHBondContact O-N 3.03Å; L358-N362 WeakPolarHBondContact O-CB 3.4Å; L358-N362 PolarHBondContact O-N 3.36Å; L358-N362 PolarHBondContact O-ND2 2.78Å
359E94.4Very high89.3Confident144 Ų14499 Ų9967%0.67352%0.516SS*.Hα-helixtrans-64-47.9172.9-172.1-176.9173.600110.6L355 E356 Y361 N362 K363L355-E359 PolarHBondContact O-N 2.88Å; E356-E359 PolarHBondContact O-N 2.89Å; E359-Y361 VanDerWaalsContact C-N 3.32Å; E359-Y361 PolarHBondContact O-N 3.04Å; E359-N362 PolarHBondContact O-N 2.76Å; E359-K363 WeakPolarHBondContact O-CB 3.38Å; E359-K363 PolarHBondContact O-N 3.29Å
360L93.6Very high87.4Confident109 Ų10998.7 Ų98.757%0.57152%0.522SS*.Hα-helixtrans-60.4-40.7177.7-171.2118.9000112E356 K363 L364E356-L360 WeakPolarHBondContact O-CB 3.48Å; E356-L360 PolarHBondContact O-N 3.22Å; L360-K363 PolarHBondContact O-N 2.92Å; L360-L364 HydrophobicContact CD2-CD1 3.8Å; L360-L364 HydrophobicContact CG-CD1 4.27Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 WeakPolarHBondContact O-CG 3.15Å; L360-L364 PolarHBondContact O-N 3.09Å
361Y93.4Very high85.4Confident146 Ų146103.4 Ų103.457%0.57353%0.534SS*.Hα-helixtrans-61.2-50.3172.3172.8-98.4000111.9A357 E359 K363 L364 V365A357-Y361 WeakPolarHBondContact O-CB 3.48Å; A357-Y361 PolarHBondContact O-N 3.2Å; E359-Y361 VanDerWaalsContact C-N 3.32Å; E359-Y361 PolarHBondContact O-N 3.04Å; Y361-K363 VanDerWaalsContact C-N 3.28Å; Y361-K363 PolarHBondContact O-N 3.06Å; Y361-L364 PolarHBondContact O-N 3.05Å; Y361-V365 HydrophobicContact CD1-CG2 4.24Å; Y361-V365 HydrophobicContact CD2-CG2 4.16Å; Y361-V365 HydrophobicContact CE1-CG2 3.81Å; Y361-V365 HydrophobicContact CE2-CG2 3.71Å; Y361-V365 HydrophobicContact CG-CG2 4.41Å; Y361-V365 WeakPolarHBondContact O-CB 3.33Å; Y361-V365 WeakPolarHBondContact O-CG2 3.39Å; Y361-V365 PolarHBondContact O-N 2.62Å
362N89.8Confident83.5Confident82 Ų82103.3 Ų103.344%0.43954%0.54SS..Hα-helixtrans-60.3-39.4177.6-83.7-76.7000111.7L358 E359 V365 N366L358-N362 WeakPolarHBondContact O-CB 3.4Å; L358-N362 PolarHBondContact O-N 3.36Å; L358-N362 PolarHBondContact O-ND2 2.78Å; E359-N362 PolarHBondContact O-N 2.76Å; N362-V365 PolarHBondContact O-N 3.26Å; N362-N366 WeakPolarHBondContact O-CB 3.49Å; N362-N366 VanDerWaalsContact O-CG 3.3Å; N362-N366 PolarHBondContact O-N 3.41Å; N362-N366 PolarHBondContact O-ND2 3.43Å
363K92.1Very high81.4Confident133 Ų133104.2 Ų104.258%0.57855%0.545SS*.Hα-helixtrans-60.4-52174.6-175.8176.7177.5179.90111.1E359 L360 Y361 V365 N366 E367E359-K363 WeakPolarHBondContact O-CB 3.38Å; E359-K363 PolarHBondContact O-N 3.29Å; L360-K363 PolarHBondContact O-N 2.92Å; Y361-K363 VanDerWaalsContact C-N 3.28Å; Y361-K363 PolarHBondContact O-N 3.06Å; K363-V365 PolarHBondContact O-N 3.37Å; K363-N366 PolarHBondContact O-N 3.48Å; K363-E367 WeakPolarHBondContact O-CB 3.36Å; K363-E367 PolarHBondContact O-N 3.3Å
364L89.6Confident79.4Confident105 Ų105108.1 Ų108.155%0.5556%0.559SS.*Hα-helixtrans-59.8-41.2177.8-79.9162.3000113L360 Y361 E367 A368L360-L364 HydrophobicContact CD2-CD1 3.8Å; L360-L364 HydrophobicContact CG-CD1 4.27Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 WeakPolarHBondContact O-CG 3.15Å; L360-L364 PolarHBondContact O-N 3.09Å; Y361-L364 PolarHBondContact O-N 3.05Å; L364-E367 PolarHBondContact O-N 2.97Å; L364-A368 WeakPolarHBondContact O-CB 3.23Å; L364-A368 PolarHBondContact O-N 3.38Å
365V85.1Confident77.3Confident69 Ų69109.7 Ų109.742%0.41857%0.573SS.*Hα-helixtrans-64.5-40.4176.9168.60000111.7Y361 N362 K363Y361-V365 HydrophobicContact CD1-CG2 4.24Å; Y361-V365 HydrophobicContact CD2-CG2 4.16Å; Y361-V365 HydrophobicContact CE1-CG2 3.81Å; Y361-V365 HydrophobicContact CE2-CG2 3.71Å; Y361-V365 HydrophobicContact CG-CG2 4.41Å; Y361-V365 WeakPolarHBondContact O-CB 3.33Å; Y361-V365 WeakPolarHBondContact O-CG2 3.39Å; Y361-V365 PolarHBondContact O-N 2.62Å; N362-V365 PolarHBondContact O-N 3.26Å; K363-V365 PolarHBondContact O-N 3.37Å
366N78.1Confident75.2Confident131 Ų131114.7 Ų114.770%0.70159%0.591SS**Hα-helixtrans-78.2-27.1178.9-71.8-50.2000113.3N362 K363N362-N366 WeakPolarHBondContact O-CB 3.49Å; N362-N366 VanDerWaalsContact O-CG 3.3Å; N362-N366 PolarHBondContact O-N 3.41Å; N362-N366 PolarHBondContact O-ND2 3.43Å; K363-N366 PolarHBondContact O-N 3.48Å
367E73.3Confident72.9Confident130 Ų130115.1 Ų115.161%0.60760%0.597SS**Hα-helixtrans-83.7-19.2179-165.7164.8-165.300112.5K363 L364 P369K363-E367 WeakPolarHBondContact O-CB 3.36Å; K363-E367 PolarHBondContact O-N 3.3Å; L364-E367 PolarHBondContact O-N 2.97Å; E367-P369 WeakPolarHBondContact O-CD 3.41Å
368A63.2Low70.6Confident43 Ų43121 Ų12136%0.35561%0.614SS.*  trans-66108.4174.900000112.2L364 V370L364-A368 WeakPolarHBondContact O-CB 3.23Å; L364-A368 PolarHBondContact O-N 3.38Å; A368-V370 PolarHBondContact O-N 3.39Å
369P57.7Low68.1Low99 Ų99122 Ų12264%0.64363%0.626SS**Hα-helixtrans-68.6-16.2-171.9-16.930.5000113.8E367 V373E367-P369 WeakPolarHBondContact O-CD 3.41Å; P369-V373 WeakPolarHBondContact O-CG2 3.32Å
370V57.3Low65.9Low103 Ų103120.8 Ų120.862%0.62463%0.631SS**Hα-helixtrans-72.7-34.9-165.2-155.30000112.4A368 Y374A368-V370 PolarHBondContact O-N 3.39Å; V370-Y374 PolarHBondContact O-N 2.97Å
371Y55.4Low63.3Low200 Ų200120 Ų12078%0.78464%0.64SS**Hα-helixtrans-73.2-41.5-176.6-159.6-103000112.1V373 Y374Y371-V373 VanDerWaalsContact C-N 3.3Å; Y371-V373 PolarHBondContact O-N 2.59Å; Y371-Y374 PolarHBondContact O-N 2.77Å
372S54.8Low60.7Low81 Ų81121.9 Ų121.957%0.56665%0.653SS**Hα-helixtrans-69-23.2178.8-69.50000114.2
373V54.3Low58.1Low95 Ų95128.4 Ų128.458%0.57667%0.673SS**Hα-helixtrans-78.5-39.8176.1171.10000111.5P369 Y371 S375 K376P369-V373 WeakPolarHBondContact O-CG2 3.32Å; Y371-V373 VanDerWaalsContact C-N 3.3Å; Y371-V373 PolarHBondContact O-N 2.59Å; V373-S375 VanDerWaalsContact C-N 3.32Å; V373-S375 PolarHBondContact O-N 3.47Å; V373-K376 PolarHBondContact O-N 2.77Å
374Y54.5Low55.7Low182 Ų182127.3 Ų127.371%0.71468%0.68SS**Hα-helixtrans-64.3-34-179.5-106.9-89.4000113.5V370 Y371 K376V370-Y374 PolarHBondContact O-N 2.97Å; Y371-Y374 PolarHBondContact O-N 2.77Å; Y374-K376 VanDerWaalsContact C-N 3.25Å; Y374-K376 PolarHBondContact O-N 3.46Å
375S53.2Low53.7Low105 Ų105128.5 Ų128.573%0.73469%0.694SS**THydrogen-bonded Turntrans-73.1-9.4-177.2-159.90000114.7V373V373-S375 VanDerWaalsContact C-N 3.32Å; V373-S375 PolarHBondContact O-N 3.47Å
376K52.4Low51.4Low183 Ų183130.3 Ų130.380%0.79672%0.716SS**THydrogen-bonded Turntrans-100.94-175.3-75.1-175.8177176.60115.7V373 Y374V373-K376 PolarHBondContact O-N 2.77Å; Y374-K376 VanDerWaalsContact C-N 3.25Å; Y374-K376 PolarHBondContact O-N 3.46Å
377L48.4Very low49.3Very low128 Ų128129.6 Ų129.667%0.6772%0.721SS**  trans-96.62.8-170.9-80.4164.9000116.3
378H46.1Very low47.5Very low182 Ų182129.5 Ų129.584%0.84374%0.735SS**  trans-106115.4178.1-88.5-83.7000113.2
379P43.6Very low46.2Very low112 Ų112130.9 Ų130.973%0.72775%0.753SS**PPolyproline II helixtrans-86.1149.2169.733.8-32.9000112.2
380P47.6Very low45Very low119 Ų119133 Ų13377%0.77376%0.764SS**PPolyproline II helixtrans-82.1124.117831.9-32.9000112
381A39.5Very low44.7Very low92 Ų92133.4 Ų133.476%0.7677%0.769SS**PPolyproline II helixtrans-76133176.700000112.1
382H39.2Very low43.5Very low185 Ų185132.2 Ų132.286%0.85677%0.772SS**PPolyproline II helixtrans-79.9144.2169-81.542.6000111.1
383Y34.6Very low42.5Very low219 Ų219136.3 Ų136.386%0.85978%0.782SS**  trans-128.4143.1165.5-99.3-91.6000110.5
384P42.5Very low41.1Very low111 Ų111138.4 Ų138.472%0.72180%0.796SS**  trans-87.8158.718035.6-35.2000112.8
385P47Very low39.8Very low130 Ų130139.9 Ų139.984%0.84480%0.802SS**  trans-84.7145.9177.334.2-33.9000112.6
386A35.9Very low40Very low106 Ų106140 Ų14088%0.87680%0.8SS**  trans-109.9148.3171.800000111.5
387S34Very low38.8Very low116 Ų116138.5 Ų138.581%0.81181%0.805SS**  trans-93.1144.4-168.154.70000115.3
388S36.9Very low37.9Very low129 Ų129140.6 Ų140.690%0.90281%0.812SS**  trans-4135.1157.5-470000120.5
389G34.3Very low37Very low71 Ų71135.9 Ų135.973%0.73280%0.799SS**  trans175.795.5159.200000119.1
390V34.2Very low36.4Very low145 Ų145139.5 Ų139.588%0.87981%0.806SS**  trans72.6133.7149.3-162.80000119.8
391P50Low35.4Very low111 Ų111137.7 Ų137.772%0.72181%0.81SS**  trans-107.7165.5179.240.9-34.5000114.8
392M30.8Very low34.9Very low174 Ų174137.2 Ų137.286%0.85781%0.813SS**  trans-162.9157.1147-113.5-58.8143.300114.2
393Q32.7Very low34.5Very low167 Ų167136.2 Ų136.278%0.7881%0.814SS**  trans-86.7156.5178.7-59.4168.6-6900112.3
394T26.2Very low34.5Very low139 Ų139137.1 Ų137.185%0.85382%0.818SS**  177.2-178107.5-159.80000112.7
395Y26.8Very low34.1Very low214 Ų214140.8 Ų140.884%0.83983%0.828SS**  trans-90.6-176.4-153.5-97.9-63.2000115.7
396P56.3Low33.4Very low108 Ų108138.3 Ų138.370%0.70183%0.826SS**  trans-110.9171.2-140.643.6-31.6000114.3
397V27.7Very low33.1Very low150 Ų150142.3 Ų142.391%0.90983%0.826SS**  trans-138.6144.2157173.80000110.7
398Q30.5Very low32.8Very low172 Ų172141.8 Ų141.880%0.80482%0.822SS**  trans-98167.7-175-169.4-178.7-0.700111.2
399S27.6Very low32.6Very low83 Ų83142.8 Ų142.858%0.5882%0.816SS**  trans103.4142.5137.581.40000120.9
400H30.3Very low32.4Very low188 Ų188148.7 Ų148.787%0.8782%0.824SS**  trans66.7135.3170.3-4789.6000116.3
401G27.2Very low32.1Very low82 Ų82150 Ų15085%0.84582%0.821SS**  cis144.9128.1-0.600000110.1
402G28.3Very low31.1Very low81 Ų81151.4 Ų151.484%0.83583%0.827SS**  trans167.2105.9178.300000114.9
403N30.3Very low30.9Very low164 Ų164148.9 Ų148.988%0.87782%0.821SS**  trans-73146165.1-85.5-0.3000110.6
404Y35Very low30.8Very low238 Ų238147 Ų14793%0.93382%0.821SS**  trans-148.4144.6138.5-126.3-87.2000111.1
405M34.5Very low31Very low189 Ų189144.9 Ų144.993%0.93182%0.818SS**  trans-82.8152.7179.6-70.3173155.600112
406G31.2Very low31.1Very low78 Ų78143.1 Ų143.180%0.80482%0.817SS**  trans-172.9112.2167.400000112.1
407Q29.3Very low29.7Very low190 Ų190142.8 Ų142.889%0.88882%0.818SS**  trans-72.6148.6176-60.6169.4-67.200111.1
408S28.5Very low29.8Very low104 Ų104147 Ų14773%0.72782%0.819SS**  160.7149.2114.5-73.50000114.5
409I32.4Very low29.7Very low151 Ų151144.4 Ų144.477%0.77482%0.82SS**  trans71.8108.9163.2-61.1155000116.7
410H29.7Very low30Very low194 Ų194148.8 Ų148.890%0.89884%0.836SS**  trans-79.6127.9158.3-74.375.7000109.2
411Q28.7Very low29.9Very low174 Ų174143.2 Ų143.281%0.81383%0.829SS**  trans-121.3127.2160.6-120.6178.521.800108.3T413Q411-T413 PolarHBondContact O-N 3.05Å
412V29Very low30.7Very low140 Ų140145.6 Ų145.685%0.84883%0.83SS**  trans-85.3108-178.7177.60000108.4
413T27.4Very low30.8Very low120 Ų120149.6 Ų149.674%0.73683%0.832SS**  trans-105.6112.5175.4-47.90000109.8Q411Q411-T413 PolarHBondContact O-N 3.05Å
414V30.5Very low30.9Very low129 Ų129150.5 Ų150.578%0.78283%0.831SS**  trans-74.1129169.1175.70000108.6
415A29.1Very low30.7Very low94 Ų94147.4 Ų147.478%0.77783%0.829SS**  trans-130.4131.4173.900000110.6
416Q29.1Very low30.4Very low176 Ų176141.5 Ų141.582%0.82282%0.816SS**  trans-91.2162.9-177.4-61.8173.9-68.600112.3
417S27.7Very low31.1Very low102 Ų102144.3 Ų144.371%0.71382%0.821SS**  trans53.6115.4142.8600000119.9
418Y30Very low31.3Very low238 Ų238143.9 Ų143.993%0.93382%0.823SS**  trans-100.8124.3157.3-65.6-81.4000110.3
419S27.5Very low31.3Very low118 Ų118150.1 Ų150.183%0.82583%0.831SS**  trans-109.4144.7167.2-73.30000110.1
420L34.8Very low31.1Very low174 Ų174148 Ų14891%0.91183%0.829SS**PPolyproline II helixtrans-74.3150.5-176.3-70.385.2000112.8
421G28.1Very low31Very low72 Ų72146.1 Ų146.174%0.74283%0.825SS**PPolyproline II helixtrans-93.1166.8168.800000113.5
422P43.7Very low31.6Very low131 Ų131143.6 Ų143.685%0.85182%0.824SS**PPolyproline II helixtrans-98.4155.1-179.537.8-33000113.3
423D31.3Very low31.6Very low166 Ų166141.4 Ų141.489%0.88882%0.815SS**  trans-131.8156.8169.3-149.5-56.9000110.8
424Q30.5Very low31.7Very low183 Ų183142.8 Ų142.886%0.85582%0.818SS**  trans-122166.9-167.8-113.9-166.650.900113.5
425I32Very low31.7Very low173 Ų173142.2 Ų142.289%0.88781%0.814SS**  trans-107.3141.5-155.9-62.6167.4000114.1
426G28.7Very low31.7Very low65 Ų65144.5 Ų144.567%0.6781%0.813SS**  trans137.7164.5140.300000116.9
427P46.2Very low31.6Very low137 Ų137141.1 Ų141.189%0.8981%0.809SS**  cis-129.1-173.4-2.440.3-22.6000115.6
428L32Very low31.6Very low180 Ų180140.9 Ų140.994%0.94281%0.808SS**  trans-88.2163.9-165.4-68.8158.5000117.2
429R28.9Very low31.5Very low236 Ų236135.4 Ų135.489%0.89180%0.798SS**  trans-148.9128.5150-158.2-177.4169.1157-1115.5
430S29.3Very low31.6Very low106 Ų106135.3 Ų135.374%0.74179%0.793SS**  trans68.1112.6155.546.70000123.8
431L26.2Very low31.3Very low155 Ų155133.3 Ų133.381%0.81279%0.788SS**  trans-52.5177.5149-80.9157.2000114.3
432P41.8Very low31.3Very low121 Ų121138.1 Ų138.179%0.78679%0.792SS**  cis-138.1-165.923.733.2-9000115.3
433S30.1Very low31.3Very low94 Ų94137 Ų13766%0.65778%0.784SS**  cis-168145.9-40.2-79.50000106.8
434N28.6Very low31.1Very low149 Ų149133.8 Ų133.880%0.79778%0.78SS**  139.7142.8104.4-152.48.1000105.6
435V30.1Very low31Very low116 Ų116133.6 Ų133.670%0.70378%0.78SS**  -166.2131.857.1162.10000109.7
436N28.6Very low30.7Very low142 Ų142130.9 Ų130.976%0.75977%0.771SS**  trans41.5145.4145.5-107.13.2000121.9
437S27.4Very low30.6Very low105 Ų105132.2 Ų132.273%0.73477%0.77SS**  cis-149.1162.627.8-63.40000114.4
438S28.6Very low29.7Very low98 Ų98136.7 Ų136.769%0.68577%0.771SS**  trans-67.8167.2173.442.70000113.9
439V28.1Very low29.6Very low122 Ų122135.8 Ų135.874%0.73977%0.766SS**  -169.6122.866.9163.10000107
440T28.3Very low29.5Very low116 Ų116128.9 Ų128.971%0.71276%0.755SS**  58.9129.492.6-46.70000113.2
441T29.3Very low29.4Very low133 Ų133130.5 Ų130.582%0.81676%0.76SS**  cis-153.1158.531.9-160000112.5
442Q27.4Very low29.5Very low173 Ų173126.3 Ų126.381%0.80875%0.754SS**  trans-83.3-172.7161.6-116.6-172.823.900111.1
443P44.6Very low28.9Very low108 Ų108129.3 Ų129.370%0.70176%0.758SS**  cis-135.7-177.4-15.432.4-10.9000114.8
444A27Very low28.9Very low97 Ų97130.5 Ų130.580%0.80276%0.756SS**  147.9145.5122.700000115.5
445Q27.2Very low29Very low180 Ų180128.8 Ų128.884%0.84175%0.751SS**  trans-85.7-179.6170-51.6172.3-55.600109.5
446T27.6Very low29Very low115 Ų115129.3 Ų129.371%0.70676%0.755SS**  cis-167.7153.929.8-3.30000111
447S26.5Very low29.1Very low94 Ų94128.4 Ų128.466%0.65776%0.759SS**  trans23.2132.8141.6-46.20000123.8
448Y26.2Very low29.1Very low230 Ų230129.6 Ų129.690%0.90276%0.758SS**  -177122.6125.2-79.5-63.5000106.9
449L29.9Very low30.1Very low161 Ų161130.3 Ų130.384%0.84376%0.76SS**  78.8118.667.7-134.289.8000117.2
450S27.1Very low30.1Very low92 Ų92129.4 Ų129.464%0.64376%0.755SS**  trans101.6127.4137.2-151.60000122.8
451T27.2Very low30.1Very low140 Ų140134.5 Ų134.586%0.85976%0.763SS**  trans56.2142142.746.30000121.5
452G28.1Very low30.2Very low66 Ų66136.2 Ų136.268%0.6876%0.764SS**  cis161.5163.2-3.600000112
453Q29.6Very low30.3Very low185 Ų185134.2 Ų134.286%0.86476%0.758SS**  trans65.9149.6168.2-65.9-175.1-93.100117.7
454D29.3Very low29.5Very low118 Ų118138.3 Ų138.363%0.63177%0.768SS**  cis-160.7168.8-7.3-129.1-45.2000114.1
455T30.6Very low29.6Very low113 Ų113140.3 Ų140.369%0.69377%0.765SS**  trans72.3112.5151.452.60000125.9
456V30.8Very low29.8Very low128 Ų128136.7 Ų136.778%0.77676%0.76SS**  63.9117.7123-172.10000122.3
457S29.6Very low29.8Very low122 Ų122137.7 Ų137.785%0.85376%0.761SS**  -179.8142.6114.7-77.30000114
458N28.4Very low29.9Very low130 Ų130139.8 Ų139.870%0.69576%0.764SS**  trans-137.1150.9172.4-18043.4000109.4T460N458-T460 PolarHBondContact ND2-OG1 3.22Å
459P48.5Very low30Very low113 Ų113136.5 Ų136.573%0.73476%0.757SS**  -140.6138.4125.835.7-22.3000111.7
460T29.6Very low29.9Very low104 Ų104133.7 Ų133.764%0.63875%0.751SS**  64.8105.254.9-50.70000115.5N458N458-T460 PolarHBondContact ND2-OG1 3.22Å
461Y27.7Very low30.1Very low223 Ų223133.1 Ų133.188%0.87575%0.751SS**  trans173.1156.7137.8-110.7-83.6000108.3
462M30.7Very low30.2Very low169 Ų169133.6 Ų133.683%0.83375%0.754SS**  -160.5163.8-57.8-161.1-167.6174.800106
463N29.5Very low30.2Very low130 Ų130134.3 Ų134.370%0.69576%0.762SS**  trans-77.9144.8-176.2177.1-3.7000113.8
464Q29.4Very low30.2Very low195 Ų195131.6 Ų131.691%0.91176%0.758SS**  trans-156.3152.2143.7-125.8167.599.100114.4
465N28.9Very low30.3Very low139 Ų139132.7 Ų132.774%0.74377%0.769SS**  trans-138.6134.6-171.9-178.217.3000108.9
466S31.6Very low30.1Very low103 Ų103132 Ų13272%0.7278%0.775SS**  trans-179.8122.6162.3-87.70000116.7
467N27.6Very low29.9Very low137 Ų137136.1 Ų136.173%0.73378%0.778SS**  trans64.3127.2132.5-77.9-30000125.8
468L28.7Very low30Very low137 Ų137136.9 Ų136.972%0.71778%0.778SS**  trans65.6149145.4-83.567.6000117.7
469Q27.8Very low30Very low161 Ų161137.4 Ų137.475%0.75278%0.776SS**  cis-158.3160.419.3-134.8162.42.400112.5
470S28.4Very low29.1Very low103 Ų103139.1 Ų139.172%0.7277%0.774SS**  trans1.2160.315056.60000122.5
471A30.2Very low29.2Very low79 Ų79142 Ų14265%0.65378%0.783SS**  cis178.7166.9-15.400000109.5
472T29.4Very low29.3Very low150 Ų150134.8 Ų134.892%0.9278%0.775SS**  trans55.7137.9155.252.70000122.2
473G28.5Very low29.3Very low82 Ų82136.4 Ų136.485%0.84578%0.784SS**  trans159.2112.4156.700000115.7
474T29.3Very low29.6Very low128 Ų128135.2 Ų135.279%0.78579%0.785SS**  trans-106.9165-174.344.80000114.7
475T30.9Very low29.8Very low140 Ų140133.3 Ų133.386%0.85979%0.787SS**  trans66142.8158.651.40000117.9
476A27.3Very low29.9Very low98 Ų98134 Ų13481%0.8179%0.791SS**  cis-165.2172.243.400000115.5
477Y26.9Very low29.9Very low215 Ų215137.6 Ų137.684%0.84380%0.798SS**  trans-47.9154.7174.9-93.6-112.9000119
478T30Very low30.2Very low138 Ų138136.3 Ų136.385%0.84780%0.799SS**  -160.7152.3106.3-162.60000114.6
479Q29.8Very low30.1Very low142 Ų142135 Ų13566%0.66480%0.802SS**  trans-79.4175.8168.1-73.9-175.4-7.900110.3
480Q29.7Very low30.2Very low149 Ų149137.8 Ų137.870%0.69681%0.807SS**  178.6157.561.4-164.4170.3-6.700113.6
481M31.8Very low30.2Very low165 Ų165141.1 Ų141.181%0.81381%0.811SS**  trans6.8145159.4-57.4161.6-179.700119.6
482G29Very low30.2Very low70 Ų70144.4 Ų144.472%0.72282%0.818SS**  cis116.2127.813.700000111.7
483M30.4Very low30.2Very low204 Ų204143.1 Ų143.1100%1.00581%0.81SS**  trans-179.5159.8151.6-104.3-167-176.400113.1
484S35.3Very low30.3Very low104 Ų104144.6 Ų144.673%0.72780%0.803SS**  trans-100.7153.8-171.3520000114.6
485V34.4Very low30.4Very low156 Ų156143.7 Ų143.795%0.94580%0.802SS**  trans-163.4164.4136.6-101.50000112.3
486D32.2Very low30.3Very low154 Ų154144.7 Ų144.782%0.82480%0.802SS**  trans-94177.6-165.9-165.2-96.4000114.8
487M29.6Very low30.5Very low177 Ų177146.1 Ų146.187%0.87280%0.795SS**  trans112.9132142.7-152.5174-176.200119.6
488S34.7Very low31.5Very low110 Ų110141.4 Ų141.477%0.76979%0.791SS**  trans-91.1150.9-168.4-43.60000115.8
489S27.6Very low31.9Very low111 Ų111142 Ų14278%0.77678%0.784SS**  trans-165.5119.7150.751.50000116.4
490Y28.8Very low32.1Very low218 Ų218142.6 Ų142.686%0.85579%0.791SS**  trans30.2147.2139.2-76.1-86.1000126.5
491Q29.6Very low32.4Very low173 Ų173140 Ų14081%0.80880%0.795SS**  trans96.376.9136.7-88.6164.5-27.700123.6
492N29.9Very low32.1Very low149 Ų149135.5 Ų135.580%0.79779%0.791SS**  24.4125.6111.5-167.211.1000121.5
493T28.1Very low32.2Very low122 Ų122141.5 Ų141.575%0.74880%0.797SS**  trans-156.4156.7150.9490000110
494T30.3Very low33.1Very low114 Ų114137.6 Ų137.670%0.69979%0.787SS**  cis-165.2134.4-26.828.70000110.5
495S32.4Very low33Very low108 Ų108137.8 Ų137.876%0.75578%0.784SS**  trans67.3150.9147.7-51.80000119.9
496N28Very low32.7Very low161 Ų161136 Ų13686%0.86177%0.774SS**  cis-152.2160.127.5-133.1-12.4000115.3
497L32.5Very low32.9Very low128 Ų128135.1 Ų135.167%0.6777%0.773SS**  trans-105.7177.5-180-150.877.8000110.9Q499L497-Q499 HydrophobicContact CD2-CB 4.01Å; L497-Q499 HydrophobicContact CD2-CG 3.78Å
498P48.5Very low33.6Very low117 Ų117132.3 Ų132.376%0.7677%0.768SS**  -137.4144.573.420.83000114.9
499Q37.2Very low33.5Very low150 Ų150131.5 Ų131.570%0.70177%0.768SS**  69.4141.869.3-110.3-178.516.300113.3L497L497-Q499 HydrophobicContact CD2-CB 4.01Å; L497-Q499 HydrophobicContact CD2-CG 3.78Å
500L35Very low34Very low155 Ų155135 Ų13581%0.81277%0.772SS**  cis-145.7174.424.2-91.3134.3000108.6
501A34.2Very low34.9Very low95 Ų95129.9 Ų129.979%0.78577%0.765SS**  cis-160.5-180-4.400000107.1
502G27.4Very low34.9Very low69 Ų69128.3 Ų128.371%0.71177%0.767SS**  cis-174.9152.6-3.400000111.9
503F30.2Very low35.3Very low197 Ų197125.5 Ų125.586%0.86477%0.765SS**  trans-71.1174.9177-79-85.3000112.8
504P49.6Very low35.5Very low121 Ų121129.1 Ų129.179%0.78677%0.773SS**  cis-146.8-168.932.636.2-10.6000117.3
505V32.4Very low35.6Very low108 Ų108131.4 Ų131.466%0.65578%0.776SS**  cis-167.8165.1-33.3150.20000109.1
506T29.4Very low35.6Very low120 Ų120134.2 Ų134.274%0.73678%0.777SS**  trans70.5105.7162.640.20000123.4
507V35.1Very low35.9Very low134 Ų134131.3 Ų131.381%0.81277%0.765SS**  40129.3104-1760000117.6
508P45Very low35.9Very low118 Ų118132.1 Ų132.177%0.76677%0.77SS**  -150.8166.158.740.8-20.1000121.1
509A32.1Very low35.2Very low93 Ų93135.9 Ų135.977%0.76977%0.77SS**  trans39.9137.9144.800000125.9
510H37.8Very low35.3Very low185 Ų185137.7 Ų137.786%0.85678%0.778SS**  trans-13.1158.4148-74.4-59.8000119.7
511P47.4Very low35.4Very low111 Ų111138.9 Ų138.972%0.72178%0.78SS**  -161.3-179.750.246.2-24.2000122
512V31.2Very low35.8Very low139 Ų139143.1 Ų143.184%0.84278%0.783SS**  trans78.5137.1141.6157.80000121.5
513A38Very low37.2Very low91 Ų91145.6 Ų145.675%0.75279%0.787SS**  trans-97.8165.3172.800000112
514Q31.7Very low37.9Very low198 Ų198144.1 Ų144.193%0.92579%0.787SS**  trans-131161163.9-103.1-175.8-21.100112.4
515Q33.4Very low37.5Very low162 Ų162150 Ų15076%0.75781%0.811SS**  trans-152.8162.6-147.1-163.9-171.315.300108.4
516H32.2Very low37.7Very low167 Ų167152.1 Ų152.177%0.77382%0.818SS**  trans70.1153.3170.7-63.4-79.9000116.8
517T33.9Very low38.2Very low99 Ų99153.8 Ų153.861%0.60782%0.823SS**  cis-151.6157.8-3.52.30000111.3Y519T517-Y519 HydrophobicContact CG2-CD2 4.17Å; T517-Y519 HydrophobicContact CG2-CE2 4Å
518N33Very low38.3Very low145 Ų145154.9 Ų154.978%0.77582%0.823SS**  trans-109.8134.2166.4-167.6-9.3000108.6
519Y33.1Very low37.9Very low197 Ų197157.1 Ų157.177%0.77383%0.827SS**  trans-150.3122.9170.8-92.6-75.8000110T517T517-Y519 HydrophobicContact CG2-CD2 4.17Å; T517-Y519 HydrophobicContact CG2-CE2 4Å
520H38.9Very low38.3Very low187 Ų187161.1 Ų161.187%0.86683%0.83SS**  trans-137.2123.5160.3-115.753.2000109.1
521Q38.2Very low38.3Very low180 Ų180159.5 Ų159.584%0.84183%0.829SS**PPolyproline II helixtrans-89.8143173-801777.800110.1
522Q41.6Very low37.7Very low185 Ų185162.9 Ų162.986%0.86484%0.836SS**PPolyproline II helixtrans-78150.1156.3-69.7177-20.900110.1
523P56.3Low38.2Very low120 Ų120164.8 Ų164.878%0.77984%0.836SS**PPolyproline II helixtrans-100.7154.4152.535.3-28000111.8
524L44.9Very low38.2Very low166 Ų166170.9 Ų170.987%0.86984%0.843SS**PPolyproline II helixtrans-65.6142.6172.5-70.871.9000111.7
525L41.3Very low38.8Very low245 Ų245168.5 Ų168.5100%1.28384%0.835SS**  -167.50113.4-112.3157.3000111.8

Retrieved 525 of 525 residues in 620 ms (Link to these results)

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