A0A3Q0KFD5_SCHMA Loading...

Putative alpha-actinin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KFD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 631 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
1M43.2Very low76.4Confident232 Ų23291.1 Ų91.1100%1.14348%0.475SS*.  071.70-54.1-148.4-67.300107.6
2G56.6Low77.5Confident43 Ų4385.4 Ų85.444%0.44344%0.442SS..  trans-120.8-30-167.700000114.5
3D58.2Low78.4Confident143 Ų14378.8 Ų78.877%0.76541%0.408SS*.SBendtrans-100.2-2.1-166.8-58.5-50.3000114.5F5 P6D3-F5 VanDerWaalsContact C-N 3.31Å; D3-F5 PolarHBondContact O-N 3.4Å; D3-P6 WeakPolarHBondContact O-CD 3.28Å
4D77.1Confident79.2Confident97 Ų9776.9 Ų76.952%0.51940%0.398SS..  trans-80.6-9-173.5-49.4-47.5000113.5Q7 Y8D4-Q7 PolarHBondContact O-N 3.42Å; D4-Y8 WeakPolarHBondContact O-CB 3.47Å; D4-Y8 PolarHBondContact O-N 3.05Å
5F84.1Confident79.7Confident61 Ų6179.1 Ų79.127%0.26841%0.406SS..Hα-helixtrans-65.8-41.3-173.3-175.6-97.9000114.5D3 Q7 Y8 L9 F97D3-F5 VanDerWaalsContact C-N 3.31Å; D3-F5 PolarHBondContact O-N 3.4Å; F5-Q7 PolarHBondContact O-N 3Å; F5-Y8 PolarHBondContact O-N 3.23Å; F5-L9 WeakPolarHBondContact O-CB 3.41Å; F5-L9 PolarHBondContact O-N 3.22Å; F5-F97 HydrophobicContact CD1-CE2 4.07Å; F5-F97 AromaticContact CD1-CZ 3.8Å; F5-F97 HydrophobicContact CD1-CZ 3.8Å; F5-F97 HydrophobicContact CE1-CE2 4.13Å; F5-F97 AromaticContact CE1-CZ 3.87Å; F5-F97 HydrophobicContact CE1-CZ 3.87Å
6P83Confident80.2Confident50 Ų5076 Ų7633%0.32539%0.389SS..Hα-helixtrans-61-41.7172.7-2335.3000112.5D3 L9 L10 F28 F97D3-P6 WeakPolarHBondContact O-CD 3.28Å; P6-L9 PolarHBondContact O-N 2.77Å; P6-L10 WeakPolarHBondContact O-CB 3.03Å; P6-L10 PolarHBondContact O-N 3.1Å; P6-F28 HydrophobicContact CB-CE2 4.33Å; P6-F28 WeakPolarHBondContact O-CE2 3.32Å; P6-F97 HydrophobicContact CB-CD2 4.4Å; P6-F97 HydrophobicContact CB-CE2 4.08Å; P6-F97 HydrophobicContact CG-CE2 4.09Å; P6-F97 HydrophobicContact CG-CZ 4.44Å
7Q84Confident80.6Confident130 Ų13071.8 Ų71.861%0.60737%0.368SS*.Hα-helixtrans-66.1-40.9176.9-61.8-173.717.900111.8D4 F5 L10 N11D4-Q7 PolarHBondContact O-N 3.42Å; F5-Q7 PolarHBondContact O-N 3Å; Q7-L10 PolarHBondContact O-N 3.32Å; Q7-N11 WeakPolarHBondContact O-CB 3.47Å; Q7-N11 VanDerWaalsContact O-CG 3.29Å; Q7-N11 PolarHBondContact O-N 3.03Å; Q7-N11 PolarHBondContact O-ND2 3Å
8Y88Confident80.9Confident113 Ų11375.7 Ų75.744%0.44338%0.381SS..Hα-helixtrans-60.9-45.7173.8174-93.7000111.9D4 F5 L10 N11 W12 Y104D4-Y8 WeakPolarHBondContact O-CB 3.47Å; D4-Y8 PolarHBondContact O-N 3.05Å; F5-Y8 PolarHBondContact O-N 3.23Å; Y8-L10 PolarHBondContact O-N 2.76Å; Y8-N11 PolarHBondContact O-N 2.94Å; Y8-W12 WeakPolarHBondContact O-CB 3.46Å; Y8-W12 PolarHBondContact O-N 2.99Å; Y8-Y104 HydrophobicContact CE1-CE2 4.28Å; Y8-Y104 AromaticContact CE1-CZ 3.89Å; Y8-Y104 WeakPolarHBondContact CE1-OH 3.22Å; Y8-Y104 PolarHBondContact OH-OH 3.38Å
9L89.1Confident81Confident0 Ų076.3 Ų76.30%039%0.389CS..Hα-helixtrans-64.3-40.1178.1-175.766.4000111.7F5 P6 W12 C13 F28 F97 V100 S101 Y104F5-L9 WeakPolarHBondContact O-CB 3.41Å; F5-L9 PolarHBondContact O-N 3.22Å; P6-L9 PolarHBondContact O-N 2.77Å; L9-W12 HydrophobicContact CD1-CE3 4.18Å; L9-W12 PolarHBondContact O-N 3.34Å; L9-C13 PolarHBondContact O-N 3.38Å; L9-C13 PolarHBondContact O-SG 3.24Å; L9-F28 HydrophobicContact CB-CZ 4.03Å; L9-F28 HydrophobicContact CD2-CE1 4.1Å; L9-F28 HydrophobicContact CD2-CZ 3.89Å; L9-F28 HydrophobicContact CG-CE1 4.23Å; L9-F28 HydrophobicContact CG-CZ 3.91Å; L9-F97 HydrophobicContact CD2-CD2 3.76Å; L9-F97 HydrophobicContact CD2-CE2 3.66Å; L9-V100 HydrophobicContact CD1-CG1 4.14Å; L9-V100 HydrophobicContact CD2-CB 4.37Å; L9-V100 HydrophobicContact CD2-CG1 4.01Å; L9-V100 HydrophobicContact CG-CG1 4.03Å; L9-S101 WeakPolarHBondContact CD2-OG 3.25Å; L9-Y104 HydrophobicContact CD1-CD1 4.39Å; L9-Y104 HydrophobicContact CD1-CD2 4.13Å; L9-Y104 HydrophobicContact CD1-CG 3.79Å
10L89.1Confident81.3Confident33 Ų3374 Ų7417%0.17338%0.376CS..Hα-helixtrans-64-48.7176.2-17268.2000111P6 Q7 Y8 W12 C13 I14 I25 F28P6-L10 WeakPolarHBondContact O-CB 3.03Å; P6-L10 PolarHBondContact O-N 3.1Å; Q7-L10 PolarHBondContact O-N 3.32Å; Y8-L10 PolarHBondContact O-N 2.76Å; L10-W12 VanDerWaalsContact C-N 3.29Å; L10-W12 PolarHBondContact O-N 3.38Å; L10-C13 WeakPolarHBondContact O-CB 3.07Å; L10-C13 PolarHBondContact O-N 3.16Å; L10-C13 VanDerWaalsContact O-N 3.13Å; L10-I14 HydrophobicContact CG-CD1 4.15Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 3.34Å; L10-I25 HydrophobicContact CD1-CG2 3.75Å; L10-F28 HydrophobicContact CB-CE2 3.99Å; L10-F28 HydrophobicContact CB-CZ 3.86Å; L10-F28 HydrophobicContact CD1-CE1 4.38Å; L10-F28 HydrophobicContact CD1-CE2 4.28Å; L10-F28 HydrophobicContact CD1-CZ 4.17Å
11N87.5Confident80.9Confident100 Ų10074.8 Ų74.854%0.53539%0.386SS..Hα-helixtrans-58.8-39.5175.5-77.2-24.4000112.4Q7 Y8 E15Q7-N11 WeakPolarHBondContact O-CB 3.47Å; Q7-N11 VanDerWaalsContact O-CG 3.29Å; Q7-N11 PolarHBondContact O-N 3.03Å; Q7-N11 PolarHBondContact O-ND2 3Å; Y8-N11 PolarHBondContact O-N 2.94Å; N11-E15 WeakPolarHBondContact O-CB 3.2Å; N11-E15 PolarHBondContact O-N 2.93Å
12W89.9Confident82.6Confident23 Ų2372.2 Ų72.29%0.08737%0.371CS..Hα-helixtrans-65.2-42.5174.5174.779.2000112.2Y8 L9 L10 E15 Q16 L41 H45 Y104 I107Y8-W12 WeakPolarHBondContact O-CB 3.46Å; Y8-W12 PolarHBondContact O-N 2.99Å; L9-W12 HydrophobicContact CD1-CE3 4.18Å; L9-W12 PolarHBondContact O-N 3.34Å; L10-W12 VanDerWaalsContact C-N 3.29Å; L10-W12 PolarHBondContact O-N 3.38Å; W12-E15 PolarHBondContact O-N 3.33Å; W12-Q16 HydrophobicContact CD2-CG 4.11Å; W12-Q16 HydrophobicContact CH2-CG 4.28Å; W12-Q16 HydrophobicContact CZ2-CG 3.65Å; W12-Q16 WeakPolarHBondContact O-CG 3.44Å; W12-Q16 PolarHBondContact O-N 2.99Å; W12-L41 HydrophobicContact CE3-CD1 4.49Å; W12-L41 HydrophobicContact CH2-CD1 3.67Å; W12-L41 HydrophobicContact CH2-CD2 4.16Å; W12-L41 HydrophobicContact CH2-CG 4.17Å; W12-L41 HydrophobicContact CZ2-CD1 4.38Å; W12-L41 HydrophobicContact CZ3-CD1 3.74Å; W12-L41 HydrophobicContact CZ3-CD2 3.9Å; W12-L41 HydrophobicContact CZ3-CG 4.29Å; W12-H45 AromaticContact CZ2-NE2 3.88Å; W12-Y104 AromaticContact CD2-CD2 3.44Å; W12-Y104 HydrophobicContact CD2-CD2 3.44Å; W12-Y104 VanDerWaalsContact CD2-CD2 3.44Å; W12-Y104 AromaticContact CD2-CE2 3.81Å; W12-Y104 HydrophobicContact CD2-CE2 3.81Å; W12-Y104 AromaticContact CE2-CD2 3.59Å; W12-Y104 AromaticContact CE2-CE2 3.9Å; W12-Y104 AromaticContact CE3-CD2 3.54Å; W12-Y104 HydrophobicContact CE3-CD2 3.54Å; W12-Y104 HydrophobicContact CE3-CE2 4.33Å; W12-Y104 HydrophobicContact CE3-CG 4.36Å; W12-Y104 HydrophobicContact CG-CD2 4.01Å; W12-Y104 AromaticContact CG-CE2 3.9Å; W12-Y104 HydrophobicContact CG-CE2 3.9Å; W12-Y104 AromaticContact CH2-CD2 3.93Å; W12-Y104 HydrophobicContact CH2-CD2 3.93Å; W12-Y104 AromaticContact CZ2-CD2 3.86Å; W12-Y104 HydrophobicContact CZ2-CD2 3.86Å; W12-Y104 HydrophobicContact CZ2-CE2 4.5Å; W12-Y104 AromaticContact CZ3-CD2 3.77Å; W12-Y104 HydrophobicContact CZ3-CD2 3.77Å; W12-Y104 HydrophobicContact CZ3-CG 4.34Å; W12-I107 HydrophobicContact CH2-CD1 3.97Å; W12-I107 HydrophobicContact CH2-CG2 4.44Å; W12-I107 HydrophobicContact CZ2-CG2 4.1Å
13C88.9Confident83.9Confident0 Ų071.3 Ų71.30%036%0.356CS..Hα-helixtrans-60.3-49.5175.5-66.30000111.1L9 L10 E15 Q16 T17 I25 W32 V100L9-C13 PolarHBondContact O-N 3.38Å; L9-C13 PolarHBondContact O-SG 3.24Å; L10-C13 WeakPolarHBondContact O-CB 3.07Å; L10-C13 PolarHBondContact O-N 3.16Å; L10-C13 VanDerWaalsContact O-N 3.13Å; C13-E15 VanDerWaalsContact C-N 3.27Å; C13-E15 PolarHBondContact O-N 3.14Å; C13-Q16 PolarHBondContact O-N 3.1Å; C13-T17 PolarHBondContact O-N 3.16Å; C13-T17 PolarHBondContact O-OG1 3.35Å; C13-I25 HydrophobicContact CB-CD1 4Å; C13-W32 HydrophobicContact CB-CH2 4.18Å; C13-W32 HydrophobicContact CB-CZ2 4.12Å; C13-V100 WeakPolarHBondContact SG-CG1 3.44Å
14I89.4Confident85.1Confident52 Ų5270.5 Ų70.527%0.26735%0.352SS..Hα-helixtrans-53.9-46.7174.4-66.6163.7000110L10 Q16 T17 K18 I25L10-I14 HydrophobicContact CG-CD1 4.15Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 3.34Å; I14-Q16 PolarHBondContact O-N 3.35Å; I14-T17 PolarHBondContact O-N 3.29Å; I14-T17 PolarHBondContact O-OG1 3.42Å; I14-K18 WeakPolarHBondContact O-CG 3.37Å; I14-K18 PolarHBondContact O-N 3.03Å; I14-I25 WeakPolarHBondContact CD1-O 3.49Å; I14-I25 HydrophobicContact CG1-CB 4.12Å; I14-I25 VanDerWaalsContact CG1-O 3.26Å; I14-I25 WeakPolarHBondContact CG1-O 3.39Å
15E88Confident85.6Confident110 Ų11066 Ų6651%0.51433%0.328SS..Hα-helixtrans-62.3-40.9179.5-174.7169.6-139.100113.7N11 W12 C13N11-E15 WeakPolarHBondContact O-CB 3.2Å; N11-E15 PolarHBondContact O-N 2.93Å; W12-E15 PolarHBondContact O-N 3.33Å; C13-E15 VanDerWaalsContact C-N 3.27Å; C13-E15 PolarHBondContact O-N 3.14Å
16Q86.8Confident85.7Confident29 Ų2967.3 Ų67.314%0.13634%0.34CS..Hα-helixtrans-67.9-36.6175.1-63.8-38.2-56.600112.3W12 C13 I14 L41 K44 H45W12-Q16 HydrophobicContact CD2-CG 4.11Å; W12-Q16 HydrophobicContact CH2-CG 4.28Å; W12-Q16 HydrophobicContact CZ2-CG 3.65Å; W12-Q16 WeakPolarHBondContact O-CG 3.44Å; W12-Q16 PolarHBondContact O-N 2.99Å; C13-Q16 PolarHBondContact O-N 3.1Å; I14-Q16 PolarHBondContact O-N 3.35Å; Q16-L41 HydrophobicContact CB-CD1 3.57Å; Q16-L41 HydrophobicContact CG-CD1 3.85Å; Q16-K44 HydrophobicContact CB-CG 4.21Å; Q16-K44 WeakPolarHBondContact O-CE 3.14Å; Q16-H45 PolarHBondContact OE1-NE2 3.32Å
17T87.2Confident85.8Confident4 Ų466.8 Ų66.83%0.02534%0.335CS..Hα-helixtrans-87.8-7.4-176.262.40000115.2C13 I14 T19 Y20 I23 I25 A40C13-T17 PolarHBondContact O-N 3.16Å; C13-T17 PolarHBondContact O-OG1 3.35Å; I14-T17 PolarHBondContact O-N 3.29Å; I14-T17 PolarHBondContact O-OG1 3.42Å; T17-T19 PolarHBondContact O-N 3.36Å; T17-Y20 PolarHBondContact O-N 3.11Å; T17-I23 HydrophobicContact CG2-CG2 4.37Å; T17-I25 HydrophobicContact CG2-CD1 3.77Å; T17-A40 HydrophobicContact CG2-CB 4Å
18K85.5Confident85.8Confident142 Ų14261 Ų6162%0.61731%0.308SS*.THydrogen-bonded Turntrans-47.3-27.2176-87.1166.2-164169.40115.3I14I14-K18 WeakPolarHBondContact O-CG 3.37Å; I14-K18 PolarHBondContact O-N 3.03Å
19T84.3Confident85.6Confident87 Ų8757.6 Ų57.653%0.53430%0.299SS..THydrogen-bonded Turntrans-84.9-2.5-179.348.70000114.8T17 K44T17-T19 PolarHBondContact O-N 3.36Å; T19-K44 VanDerWaalsContact CG2-NZ 3.32Å; T19-K44 PolarHBondContact OG1-NZ 2.72Å
20Y86.7Confident85.2Confident30 Ų3061 Ų6112%0.11832%0.323CS..SBendtrans-106.7119.1-179.1-61.3-81.3000110.7T17 A40 H43 K44 F52T17-Y20 PolarHBondContact O-N 3.11Å; Y20-A40 HydrophobicContact CD1-CB 4.38Å; Y20-A40 HydrophobicContact CD2-CB 3.65Å; Y20-A40 HydrophobicContact CE2-CB 3.86Å; Y20-A40 HydrophobicContact CG-CB 3.92Å; Y20-H43 AromaticContact CE1-CE1 3.99Å; Y20-H43 AromaticContact CE1-ND1 3.27Å; Y20-H43 VanDerWaalsContact CE1-ND1 3.27Å; Y20-H43 WeakPolarHBondContact CE1-ND1 3.44Å; Y20-H43 AromaticContact CZ-ND1 3.48Å; Y20-H43 PolarHBondContact OH-ND1 3.34Å; Y20-K44 HydrophobicContact CE2-CB 4.19Å; Y20-K44 HydrophobicContact CE2-CD 4.32Å; Y20-K44 VanDerWaalsContact OH-CA 3.28Å; Y20-K44 WeakPolarHBondContact OH-CA 3.46Å; Y20-K44 PolarHBondContact OH-N 2.6Å; Y20-K44 VanDerWaalsContact OH-N 3.12Å; Y20-F52 AromaticContact CD1-CD1 3.62Å; Y20-F52 HydrophobicContact CD1-CD1 3.62Å; Y20-F52 HydrophobicContact CD1-CD2 4.35Å; Y20-F52 AromaticContact CD1-CE1 3.55Å; Y20-F52 HydrophobicContact CD1-CE1 3.55Å; Y20-F52 HydrophobicContact CD1-CE2 4.3Å; Y20-F52 HydrophobicContact CD1-CG 4.05Å; Y20-F52 AromaticContact CD1-CZ 3.93Å; Y20-F52 HydrophobicContact CD1-CZ 3.93Å; Y20-F52 AromaticContact CE1-CD1 3.99Å; Y20-F52 HydrophobicContact CE1-CD1 3.99Å; Y20-F52 HydrophobicContact CE1-CD2 4.37Å; Y20-F52 HydrophobicContact CE1-CE1 4.35Å; Y20-F52 HydrophobicContact CE1-CG 4.03Å; Y20-F52 HydrophobicContact CG-CE1 4.27Å; Y20-F52 HydrophobicContact CG-CZ 4.31Å
21P72.8Confident85Confident92 Ų9260.2 Ų60.260%0.59732%0.32SS*.THydrogen-bonded Turntrans-63.5149.7169.729.4-33.7000109.9I23P21-I23 VanDerWaalsContact C-N 3.34Å; P21-I23 PolarHBondContact O-N 2.99Å
22H79.3Confident84.9Confident177 Ų17755.4 Ų55.482%0.81929%0.294SS*.THydrogen-bonded Turntrans72.53.8178.5-41.8-68.5000117.7
23I83.5Confident84.5Confident25 Ų2558.2 Ų58.213%0.12831%0.307CS..  trans-106.2124.9170.2-66.1171.9000110.4T17 P21 I25 L36 A40 F52T17-I23 HydrophobicContact CG2-CG2 4.37Å; P21-I23 VanDerWaalsContact C-N 3.34Å; P21-I23 PolarHBondContact O-N 2.99Å; I23-I25 HydrophobicContact CG2-CD1 4.35Å; I23-I25 HydrophobicContact CG2-CG1 3.9Å; I23-L36 HydrophobicContact CD1-CB 4.02Å; I23-L36 WeakPolarHBondContact CD1-O 3.19Å; I23-L36 HydrophobicContact CG1-CB 4.09Å; I23-A40 HydrophobicContact CD1-CB 3.29Å; I23-F52 HydrophobicContact CD1-CE2 3.93Å; I23-F52 HydrophobicContact CD1-CZ 3.58Å; I23-F52 HydrophobicContact CG1-CZ 4.49Å
24N82.9Confident84.2Confident126 Ų12660.3 Ų60.367%0.67432%0.318SS*.  trans-131.4110.1172.1-173.528.3000109.2
25I87.4Confident84.1Confident3 Ų357.9 Ų57.92%0.01531%0.306CS..  trans-96.4113.8-178.9-55.7178.3000108.6L10 C13 I14 T17 I23 W32 A37L10-I25 HydrophobicContact CD1-CG2 3.75Å; C13-I25 HydrophobicContact CB-CD1 4Å; I14-I25 WeakPolarHBondContact CD1-O 3.49Å; I14-I25 HydrophobicContact CG1-CB 4.12Å; I14-I25 VanDerWaalsContact CG1-O 3.26Å; I14-I25 WeakPolarHBondContact CG1-O 3.39Å; T17-I25 HydrophobicContact CG2-CD1 3.77Å; I23-I25 HydrophobicContact CG2-CD1 4.35Å; I23-I25 HydrophobicContact CG2-CG1 3.9Å; I25-W32 HydrophobicContact CD1-CH2 4.14Å; I25-W32 HydrophobicContact CD1-CZ2 4.05Å; I25-W32 HydrophobicContact CG2-CZ2 3.95Å; I25-A37 HydrophobicContact CD1-CB 3.95Å; I25-A37 HydrophobicContact CG1-CB 4.15Å
26T85.7Confident84.1Confident87 Ų8753.3 Ų53.353%0.53429%0.285SS..  trans-118.5-18.118052.30000113.9S31T26-S31 PolarHBondContact N-OG 2.85Å; T26-S31 PolarHBondContact OG1-OG 3.41Å
27D86.1Confident84.2Confident40 Ų4052 Ų5221%0.21428%0.278CS..  trans-145.3174.5-177.360.827.1000111.6T29 S30 S31 W32D27-T29 VanDerWaalsContact C-N 3.33Å; D27-T29 PolarHBondContact OD1-N 2.82Å; D27-T29 PolarHBondContact OD2-OG1 3.07Å; D27-T29 VanDerWaalsContact OD2-OG1 3.08Å; D27-S30 PolarHBondContact OD1-N 2.73Å; D27-S30 WeakPolarHBondContact OD2-CB 3.37Å; D27-S30 PolarHBondContact OD2-N 2.67Å; D27-S30 PolarHBondContact OD2-OG 2.85Å; D27-S31 VanDerWaalsContact CG-OG 3.32Å; D27-S31 PolarHBondContact N-OG 3.14Å; D27-S31 VanDerWaalsContact N-OG 3.12Å; D27-S31 VanDerWaalsContact OD1-CB 3.25Å; D27-S31 WeakPolarHBondContact OD1-CB 3.39Å; D27-S31 PolarHBondContact OD1-N 2.81Å; D27-S31 PolarHBondContact OD1-OG 3.15Å; D27-W32 VanDerWaalsContact O-CD1 3.29Å; D27-W32 PolarHBondContact O-NE1 3.11Å
28F84Confident84.3Confident7 Ų751.8 Ų51.83%0.03128%0.278CS..SBendtrans-97.834.3164.8-66.1-69.6000111.4P6 L9 L10 W32 E93 I96 F97 V100P6-F28 HydrophobicContact CB-CE2 4.33Å; P6-F28 WeakPolarHBondContact O-CE2 3.32Å; L9-F28 HydrophobicContact CB-CZ 4.03Å; L9-F28 HydrophobicContact CD2-CE1 4.1Å; L9-F28 HydrophobicContact CD2-CZ 3.89Å; L9-F28 HydrophobicContact CG-CE1 4.23Å; L9-F28 HydrophobicContact CG-CZ 3.91Å; L10-F28 HydrophobicContact CB-CE2 3.99Å; L10-F28 HydrophobicContact CB-CZ 3.86Å; L10-F28 HydrophobicContact CD1-CE1 4.38Å; L10-F28 HydrophobicContact CD1-CE2 4.28Å; L10-F28 HydrophobicContact CD1-CZ 4.17Å; F28-W32 HydrophobicContact CD1-CZ2 4.42Å; F28-W32 HydrophobicContact CE1-CZ2 4.45Å; F28-E93 HydrophobicContact CB-CG 3.81Å; F28-I96 HydrophobicContact CB-CB 4.42Å; F28-I96 HydrophobicContact CB-CG2 4.03Å; F28-I96 HydrophobicContact CD1-CG2 4.2Å; F28-I96 VanDerWaalsContact O-CB 3.28Å; F28-I96 WeakPolarHBondContact O-CB 3.13Å; F28-I96 VanDerWaalsContact O-CD1 3.23Å; F28-I96 WeakPolarHBondContact O-CD1 3.41Å; F28-I96 WeakPolarHBondContact O-CG2 3.45Å; F28-F97 HydrophobicContact CB-CB 4.45Å; F28-F97 HydrophobicContact CD2-CB 4.43Å; F28-F97 HydrophobicContact CD2-CD2 4.27Å; F28-F97 AromaticContact CE2-CD2 3.99Å; F28-F97 HydrophobicContact CE2-CD2 3.99Å; F28-F97 HydrophobicContact CG-CB 4.25Å; F28-F97 HydrophobicContact CZ-CD2 4.18Å; F28-V100 HydrophobicContact CD1-CG2 4.49Å; F28-V100 HydrophobicContact CE1-CB 4.31Å; F28-V100 HydrophobicContact CE1-CG1 4.09Å
29T82.6Confident84.4Confident43 Ų4345 Ų4526%0.26425%0.248SC..SBendtrans-136-85.1-178.754.90000111.5D27 S31 E93D27-T29 VanDerWaalsContact C-N 3.33Å; D27-T29 PolarHBondContact OD1-N 2.82Å; D27-T29 PolarHBondContact OD2-OG1 3.07Å; D27-T29 VanDerWaalsContact OD2-OG1 3.08Å; T29-S31 PolarHBondContact O-N 3.24Å; T29-E93 HydrophobicContact CG2-CB 3.73Å; T29-E93 HydrophobicContact CG2-CG 4.08Å
30S82.2Confident84.7Confident72 Ų7240.9 Ų40.950%0.50322%0.223SC..G310 helixtrans-68-35.2-173.771.60000113D27 W32 K33D27-S30 PolarHBondContact OD1-N 2.73Å; D27-S30 WeakPolarHBondContact OD2-CB 3.37Å; D27-S30 PolarHBondContact OD2-N 2.67Å; D27-S30 PolarHBondContact OD2-OG 2.85Å; S30-W32 PolarHBondContact O-N 3.29Å; S30-K33 PolarHBondContact O-N 2.92Å
31S85.2Confident84.8Confident15 Ų1539.5 Ų39.511%0.10522%0.217CC..G310 helixtrans-65.4-9.1-175.4-45.40000115T26 D27 T29 A37T26-S31 PolarHBondContact N-OG 2.85Å; T26-S31 PolarHBondContact OG1-OG 3.41Å; D27-S31 VanDerWaalsContact CG-OG 3.32Å; D27-S31 PolarHBondContact N-OG 3.14Å; D27-S31 VanDerWaalsContact N-OG 3.12Å; D27-S31 VanDerWaalsContact OD1-CB 3.25Å; D27-S31 WeakPolarHBondContact OD1-CB 3.39Å; D27-S31 PolarHBondContact OD1-N 2.81Å; D27-S31 PolarHBondContact OD1-OG 3.15Å; T29-S31 PolarHBondContact O-N 3.24Å; S31-A37 WeakPolarHBondContact O-CB 3.31Å
32W85.5Confident85.5Confident0 Ų035.1 Ų35.10%019%0.189CC..G310 helixtrans-116.9-5.4-174.2-59.983.1000113.3C13 I25 D27 F28 S30 D34 G35 A37 F38 L41 I96 V100C13-W32 HydrophobicContact CB-CH2 4.18Å; C13-W32 HydrophobicContact CB-CZ2 4.12Å; I25-W32 HydrophobicContact CD1-CH2 4.14Å; I25-W32 HydrophobicContact CD1-CZ2 4.05Å; I25-W32 HydrophobicContact CG2-CZ2 3.95Å; D27-W32 VanDerWaalsContact O-CD1 3.29Å; D27-W32 PolarHBondContact O-NE1 3.11Å; F28-W32 HydrophobicContact CD1-CZ2 4.42Å; F28-W32 HydrophobicContact CE1-CZ2 4.45Å; S30-W32 PolarHBondContact O-N 3.29Å; W32-D34 VanDerWaalsContact C-N 3.32Å; W32-D34 PolarHBondContact O-N 2.97Å; W32-G35 PolarHBondContact O-N 3.49Å; W32-A37 HydrophobicContact CD2-CB 3.92Å; W32-A37 HydrophobicContact CE3-CB 3.55Å; W32-A37 HydrophobicContact CG-CB 4.49Å; W32-A37 HydrophobicContact CH2-CB 4.5Å; W32-A37 HydrophobicContact CZ3-CB 3.87Å; W32-F38 HydrophobicContact CB-CE2 3.84Å; W32-F38 HydrophobicContact CB-CZ 4.11Å; W32-F38 HydrophobicContact CD2-CE1 4.22Å; W32-F38 HydrophobicContact CD2-CE2 4.46Å; W32-F38 HydrophobicContact CD2-CZ 4.11Å; W32-F38 AromaticContact CE3-CD1 3.46Å; W32-F38 HydrophobicContact CE3-CD1 3.46Å; W32-F38 VanDerWaalsContact CE3-CD1 3.46Å; W32-F38 AromaticContact CE3-CD2 3.96Å; W32-F38 HydrophobicContact CE3-CD2 3.96Å; W32-F38 AromaticContact CE3-CE1 3.31Å; W32-F38 HydrophobicContact CE3-CE1 3.31Å; W32-F38 AromaticContact CE3-CE2 3.86Å; W32-F38 HydrophobicContact CE3-CE2 3.86Å; W32-F38 AromaticContact CE3-CG 3.78Å; W32-F38 HydrophobicContact CE3-CG 3.78Å; W32-F38 AromaticContact CE3-CZ 3.53Å; W32-F38 HydrophobicContact CE3-CZ 3.53Å; W32-F38 HydrophobicContact CG-CZ 4.38Å; W32-F38 AromaticContact CZ3-CD1 3.53Å; W32-F38 HydrophobicContact CZ3-CD1 3.53Å; W32-F38 AromaticContact CZ3-CE1 3.62Å; W32-F38 HydrophobicContact CZ3-CE1 3.62Å; W32-F38 HydrophobicContact CZ3-CG 4.12Å; W32-F38 HydrophobicContact CZ3-CZ 4.31Å; W32-L41 HydrophobicContact CH2-CD2 4.3Å; W32-L41 HydrophobicContact CZ3-CD2 4.47Å; W32-I96 HydrophobicContact CB-CD1 4.25Å; W32-I96 HydrophobicContact CB-CG2 4.15Å; W32-I96 HydrophobicContact CD2-CG2 4.03Å; W32-I96 HydrophobicContact CG-CG2 3.68Å; W32-V100 HydrophobicContact CD2-CG2 4.3Å; W32-V100 HydrophobicContact CE3-CG2 4.11Å; W32-V100 HydrophobicContact CH2-CG1 4.02Å; W32-V100 HydrophobicContact CH2-CG2 3.56Å; W32-V100 HydrophobicContact CZ2-CG1 4.29Å; W32-V100 HydrophobicContact CZ2-CG2 3.77Å; W32-V100 HydrophobicContact CZ3-CG2 3.74Å
33K81.3Confident86Confident82 Ų8228.7 Ų28.736%0.35716%0.159SC..THydrogen-bonded Turntrans-70.6-25.6-173.9-65.8-166.3178.3-170.40113.7S30 G35 L88 E89S30-K33 PolarHBondContact O-N 2.92Å; K33-G35 VanDerWaalsContact C-N 3.27Å; K33-G35 PolarHBondContact O-N 3.28Å; K33-L88 VanDerWaalsContact CE-O 3.23Å; K33-L88 WeakPolarHBondContact CE-O 3.48Å; K33-E89 PolarHBondContact NZ-O 2.97Å
34D82.9Confident86.1Confident44 Ų4431.1 Ų31.124%0.23517%0.169CC..THydrogen-bonded Turntrans-78.3-8.4177.368.5-1.1000113.8W32 L36 N63W32-D34 VanDerWaalsContact C-N 3.32Å; W32-D34 PolarHBondContact O-N 2.97Å; D34-L36 HydrophobicContact CB-CG 4.41Å; D34-L36 PolarHBondContact O-N 3.22Å; D34-L36 VanDerWaalsContact O-N 3.1Å; D34-L36 PolarHBondContact OD1-N 3.32Å; D34-N63 WeakPolarHBondContact O-CB 3.12Å; D34-N63 PolarHBondContact O-ND2 2.98Å
35G85.5Confident86.1Confident0 Ų028 Ų280%015%0.15CC..SBendtrans69.2-9.5-173.800000115.5W32 K33 F38 C39W32-G35 PolarHBondContact O-N 3.49Å; K33-G35 VanDerWaalsContact C-N 3.27Å; K33-G35 PolarHBondContact O-N 3.28Å; G35-F38 PolarHBondContact O-N 2.7Å; G35-C39 PolarHBondContact O-N 2.91Å
36L88.1Confident86Confident15 Ų1530.2 Ų30.28%0.07916%0.159CC..Hα-helixtrans-68.1-39.1-176.4-66-178.4000111.3I23 D34 F38 C39 A40 L55I23-L36 HydrophobicContact CD1-CB 4.02Å; I23-L36 WeakPolarHBondContact CD1-O 3.19Å; I23-L36 HydrophobicContact CG1-CB 4.09Å; D34-L36 HydrophobicContact CB-CG 4.41Å; D34-L36 PolarHBondContact O-N 3.22Å; D34-L36 VanDerWaalsContact O-N 3.1Å; D34-L36 PolarHBondContact OD1-N 3.32Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-F38 PolarHBondContact O-N 3.25Å; L36-C39 PolarHBondContact O-N 2.75Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 2.91Å; L36-L55 HydrophobicContact CD2-CB 3.78Å; L36-L55 HydrophobicContact CD2-CD1 4.43Å
37A90Very high85.8Confident0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-58.2-41.9174.800000112.5I25 S31 W32 L41I25-A37 HydrophobicContact CD1-CB 3.95Å; I25-A37 HydrophobicContact CG1-CB 4.15Å; S31-A37 WeakPolarHBondContact O-CB 3.31Å; W32-A37 HydrophobicContact CD2-CB 3.92Å; W32-A37 HydrophobicContact CE3-CB 3.55Å; W32-A37 HydrophobicContact CG-CB 4.49Å; W32-A37 HydrophobicContact CH2-CB 4.5Å; W32-A37 HydrophobicContact CZ3-CB 3.87Å; A37-L41 WeakPolarHBondContact O-CB 3.5Å; A37-L41 PolarHBondContact O-N 2.93Å; A37-L41 VanDerWaalsContact O-N 3.12Å
38F88.9Confident85.6Confident1 Ų135 Ų350%0.00419%0.186CC..Hα-helixtrans-68-46175.1-68.3-63.3000112.1W32 G35 L36 A40 L41 I42 L64 A67 F68 I96 Y99 V100 L103W32-F38 HydrophobicContact CB-CE2 3.84Å; W32-F38 HydrophobicContact CB-CZ 4.11Å; W32-F38 HydrophobicContact CD2-CE1 4.22Å; W32-F38 HydrophobicContact CD2-CE2 4.46Å; W32-F38 HydrophobicContact CD2-CZ 4.11Å; W32-F38 AromaticContact CE3-CD1 3.46Å; W32-F38 HydrophobicContact CE3-CD1 3.46Å; W32-F38 VanDerWaalsContact CE3-CD1 3.46Å; W32-F38 AromaticContact CE3-CD2 3.96Å; W32-F38 HydrophobicContact CE3-CD2 3.96Å; W32-F38 AromaticContact CE3-CE1 3.31Å; W32-F38 HydrophobicContact CE3-CE1 3.31Å; W32-F38 AromaticContact CE3-CE2 3.86Å; W32-F38 HydrophobicContact CE3-CE2 3.86Å; W32-F38 AromaticContact CE3-CG 3.78Å; W32-F38 HydrophobicContact CE3-CG 3.78Å; W32-F38 AromaticContact CE3-CZ 3.53Å; W32-F38 HydrophobicContact CE3-CZ 3.53Å; W32-F38 HydrophobicContact CG-CZ 4.38Å; W32-F38 AromaticContact CZ3-CD1 3.53Å; W32-F38 HydrophobicContact CZ3-CD1 3.53Å; W32-F38 AromaticContact CZ3-CE1 3.62Å; W32-F38 HydrophobicContact CZ3-CE1 3.62Å; W32-F38 HydrophobicContact CZ3-CG 4.12Å; W32-F38 HydrophobicContact CZ3-CZ 4.31Å; G35-F38 PolarHBondContact O-N 2.7Å; L36-F38 VanDerWaalsContact C-N 3.33Å; L36-F38 PolarHBondContact O-N 3.25Å; F38-A40 PolarHBondContact O-N 3Å; F38-L41 PolarHBondContact O-N 2.82Å; F38-I42 WeakPolarHBondContact O-CG1 3.41Å; F38-I42 PolarHBondContact O-N 3.27Å; F38-I42 VanDerWaalsContact O-N 3.12Å; F38-L64 HydrophobicContact CD2-CD2 3.76Å; F38-L64 HydrophobicContact CE2-CD2 3.95Å; F38-A67 HydrophobicContact CB-CB 3.68Å; F38-F68 HydrophobicContact CD2-CE1 4.28Å; F38-F68 HydrophobicContact CE2-CE1 4.24Å; F38-F68 HydrophobicContact CE2-CZ 4.26Å; F38-F68 HydrophobicContact CG-CE1 4.49Å; F38-F68 HydrophobicContact CZ-CE1 4.44Å; F38-I96 HydrophobicContact CZ-CG2 4.38Å; F38-Y99 HydrophobicContact CD1-CD1 4.19Å; F38-Y99 HydrophobicContact CD1-CE1 4.18Å; F38-Y99 AromaticContact CE1-CD1 3.61Å; F38-Y99 HydrophobicContact CE1-CD1 3.61Å; F38-Y99 HydrophobicContact CE1-CE1 4.05Å; F38-Y99 HydrophobicContact CZ-CD1 4.18Å; F38-V100 HydrophobicContact CE1-CG2 3.8Å; F38-L103 HydrophobicContact CD1-CD1 3.86Å; F38-L103 HydrophobicContact CE1-CD1 4.24Å
39C88Confident85.5Confident0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-59.1-46.9177.7-76.20000112.1G35 L36 I42 H43 I50 F52 L55 N63G35-C39 PolarHBondContact O-N 2.91Å; L36-C39 PolarHBondContact O-N 2.75Å; C39-I42 PolarHBondContact O-N 3.17Å; C39-H43 WeakPolarHBondContact O-CB 3.44Å; C39-H43 PolarHBondContact O-N 3.15Å; C39-I50 HydrophobicContact CB-CD1 4.34Å; C39-I50 HydrophobicContact CB-CG2 4.24Å; C39-F52 HydrophobicContact CB-CD2 4.24Å; C39-F52 HydrophobicContact CB-CE2 4.29Å; C39-L55 HydrophobicContact CB-CD1 3.5Å; C39-L55 VanDerWaalsContact CB-CD1 3.5Å; C39-N63 PolarHBondContact SG-O 3.36Å
40A89.8Confident85.6Confident0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-63.1-42.4178.500000112.6T17 Y20 I23 L36 F38 I42 H43 K44 F52T17-A40 HydrophobicContact CG2-CB 4Å; Y20-A40 HydrophobicContact CD1-CB 4.38Å; Y20-A40 HydrophobicContact CD2-CB 3.65Å; Y20-A40 HydrophobicContact CE2-CB 3.86Å; Y20-A40 HydrophobicContact CG-CB 3.92Å; I23-A40 HydrophobicContact CD1-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 2.91Å; F38-A40 PolarHBondContact O-N 3Å; A40-I42 VanDerWaalsContact C-N 3.3Å; A40-I42 PolarHBondContact O-N 2.87Å; A40-H43 PolarHBondContact O-N 3.12Å; A40-K44 VanDerWaalsContact O-CB 3.28Å; A40-K44 WeakPolarHBondContact O-CB 3.34Å; A40-K44 PolarHBondContact O-N 2.77Å; A40-F52 HydrophobicContact CB-CD2 4.31Å; A40-F52 HydrophobicContact CB-CE2 3.69Å; A40-F52 HydrophobicContact CB-CZ 4.27Å
41L89.6Confident85.7Confident0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-63-37.5178.8-169.467.6000112.2W12 Q16 W32 A37 F38 L103 I107W12-L41 HydrophobicContact CE3-CD1 4.49Å; W12-L41 HydrophobicContact CH2-CD1 3.67Å; W12-L41 HydrophobicContact CH2-CD2 4.16Å; W12-L41 HydrophobicContact CH2-CG 4.17Å; W12-L41 HydrophobicContact CZ2-CD1 4.38Å; W12-L41 HydrophobicContact CZ3-CD1 3.74Å; W12-L41 HydrophobicContact CZ3-CD2 3.9Å; W12-L41 HydrophobicContact CZ3-CG 4.29Å; Q16-L41 HydrophobicContact CB-CD1 3.57Å; Q16-L41 HydrophobicContact CG-CD1 3.85Å; W32-L41 HydrophobicContact CH2-CD2 4.3Å; W32-L41 HydrophobicContact CZ3-CD2 4.47Å; A37-L41 WeakPolarHBondContact O-CB 3.5Å; A37-L41 PolarHBondContact O-N 2.93Å; A37-L41 VanDerWaalsContact O-N 3.12Å; F38-L41 PolarHBondContact O-N 2.82Å; L41-L103 HydrophobicContact CD2-CB 4.44Å; L41-L103 HydrophobicContact CD2-CD1 4.31Å; L41-I107 HydrophobicContact CG-CD1 4.35Å
42I87.5Confident85.7Confident1 Ų137.1 Ų37.11%0.00519%0.187CC..Hα-helixtrans-72.8-50.6175.5-65.8167.9000110.3F38 C39 A40 K44 H45 F46 I50 A67 V70 A71 L75 L103F38-I42 WeakPolarHBondContact O-CG1 3.41Å; F38-I42 PolarHBondContact O-N 3.27Å; F38-I42 VanDerWaalsContact O-N 3.12Å; C39-I42 PolarHBondContact O-N 3.17Å; A40-I42 VanDerWaalsContact C-N 3.3Å; A40-I42 PolarHBondContact O-N 2.87Å; I42-K44 PolarHBondContact O-N 3.17Å; I42-H45 PolarHBondContact O-N 2.7Å; I42-H45 VanDerWaalsContact O-N 3.13Å; I42-F46 PolarHBondContact O-N 3.21Å; I42-I50 HydrophobicContact CB-CD1 3.82Å; I42-I50 HydrophobicContact CD1-CD1 4.33Å; I42-I50 HydrophobicContact CG2-CD1 3.66Å; I42-I50 HydrophobicContact CG2-CG1 4.39Å; I42-A67 HydrophobicContact CD1-CB 4.18Å; I42-A67 VanDerWaalsContact CD1-O 3.3Å; I42-A67 WeakPolarHBondContact CD1-O 3.38Å; I42-V70 HydrophobicContact CG2-CG1 3.7Å; I42-A71 HydrophobicContact CD1-CB 4.16Å; I42-L75 HydrophobicContact CG1-CD1 4.48Å; I42-L103 HydrophobicContact CD1-CD2 4.45Å; I42-L103 HydrophobicContact CG1-CD2 4.14Å
43H88.9Confident85.5Confident42 Ų4241.7 Ų41.719%0.19422%0.219CC..Hα-helixtrans-58.2-33.8-179.9-179.7-116.6000112.3Y20 C39 A40 H45 F46 P47 I50 F52Y20-H43 AromaticContact CE1-CE1 3.99Å; Y20-H43 AromaticContact CE1-ND1 3.27Å; Y20-H43 VanDerWaalsContact CE1-ND1 3.27Å; Y20-H43 WeakPolarHBondContact CE1-ND1 3.44Å; Y20-H43 AromaticContact CZ-ND1 3.48Å; Y20-H43 PolarHBondContact OH-ND1 3.34Å; C39-H43 WeakPolarHBondContact O-CB 3.44Å; C39-H43 PolarHBondContact O-N 3.15Å; A40-H43 PolarHBondContact O-N 3.12Å; H43-H45 VanDerWaalsContact C-N 3.27Å; H43-H45 PolarHBondContact O-N 2.95Å; H43-F46 CarbonylContact O-C 3.55Å; H43-F46 PolarHBondContact O-N 3.37Å; H43-P47 VanDerWaalsContact CD2-CA 3.42Å; H43-P47 WeakPolarHBondContact CD2-CA 3.46Å; H43-P47 PolarHBondContact CD2-O 2.87Å; H43-P47 VanDerWaalsContact CD2-O 3.26Å; H43-P47 VanDerWaalsContact O-CA 3.31Å; H43-P47 WeakPolarHBondContact O-CA 3.27Å; H43-P47 VanDerWaalsContact O-N 3.13Å; H43-I50 HydrophobicContact CB-CB 4.39Å; H43-I50 PolarHBondContact CD2-O 3.31Å; H43-F52 HydrophobicContact CB-CB 4.5Å
44K86.1Confident85.5Confident75 Ų7545 Ų4533%0.32624%0.236SC..Hα-helixtrans-58.5-36.9176.9-175.659.4168.1-171.60113.7Q16 T19 Y20 A40 I42Q16-K44 HydrophobicContact CB-CG 4.21Å; Q16-K44 WeakPolarHBondContact O-CE 3.14Å; T19-K44 VanDerWaalsContact CG2-NZ 3.32Å; T19-K44 PolarHBondContact OG1-NZ 2.72Å; Y20-K44 HydrophobicContact CE2-CB 4.19Å; Y20-K44 HydrophobicContact CE2-CD 4.32Å; Y20-K44 VanDerWaalsContact OH-CA 3.28Å; Y20-K44 WeakPolarHBondContact OH-CA 3.46Å; Y20-K44 PolarHBondContact OH-N 2.6Å; Y20-K44 VanDerWaalsContact OH-N 3.12Å; A40-K44 VanDerWaalsContact O-CB 3.28Å; A40-K44 WeakPolarHBondContact O-CB 3.34Å; A40-K44 PolarHBondContact O-N 2.77Å; I42-K44 PolarHBondContact O-N 3.17Å
45H83.2Confident85.5Confident60 Ų6044.7 Ų44.728%0.27823%0.234SC..Hα-helixtrans-100.1-18.2-179.4-70.8-73000113.2W12 Q16 I42 H43 I107W12-H45 AromaticContact CZ2-NE2 3.88Å; Q16-H45 PolarHBondContact OE1-NE2 3.32Å; I42-H45 PolarHBondContact O-N 2.7Å; I42-H45 VanDerWaalsContact O-N 3.13Å; H43-H45 VanDerWaalsContact C-N 3.27Å; H43-H45 PolarHBondContact O-N 2.95Å; H45-I107 HydrophobicContact CB-CG2 4.34Å; H45-I107 WeakPolarHBondContact CD2-CG2 3.43Å; H45-I107 WeakPolarHBondContact NE2-CG2 3.21Å
46F84.4Confident85.3Confident50 Ų5050.7 Ų50.722%0.21926%0.26CS..  trans-145.374.9-176-53.1-77.7000110I42 H43 D48 L49 L75 I107 K110I42-F46 PolarHBondContact O-N 3.21Å; H43-F46 CarbonylContact O-C 3.55Å; H43-F46 PolarHBondContact O-N 3.37Å; F46-D48 VanDerWaalsContact C-N 3.27Å; F46-D48 PolarHBondContact O-N 2.98Å; F46-L49 HydrophobicContact CB-CB 4.35Å; F46-L49 HydrophobicContact CB-CD1 3.41Å; F46-L49 VanDerWaalsContact CB-CD1 3.41Å; F46-L49 HydrophobicContact CB-CG 3.79Å; F46-L49 HydrophobicContact CD1-CD1 4.42Å; F46-L49 HydrophobicContact CG-CD1 3.9Å; F46-L49 PolarHBondContact O-N 3.22Å; F46-L75 HydrophobicContact CD2-CD2 3.94Å; F46-L75 HydrophobicContact CE1-CD2 4.46Å; F46-L75 HydrophobicContact CE2-CD1 4.43Å; F46-L75 HydrophobicContact CE2-CD2 3.44Å; F46-L75 VanDerWaalsContact CE2-CD2 3.44Å; F46-L75 HydrophobicContact CZ-CD2 3.75Å; F46-I107 HydrophobicContact CE2-CG1 4.36Å; F46-K110 HydrophobicContact CE1-CD 4.41Å; F46-K110 HydrophobicContact CZ-CD 3.86Å
47P81.2Confident85.1Confident71 Ų7153.5 Ų53.546%0.46128%0.281SS..G310 helixtrans-60.5-37.2-174.122.2-32.6000112.5H43 L49H43-P47 VanDerWaalsContact CD2-CA 3.42Å; H43-P47 WeakPolarHBondContact CD2-CA 3.46Å; H43-P47 PolarHBondContact CD2-O 2.87Å; H43-P47 VanDerWaalsContact CD2-O 3.26Å; H43-P47 VanDerWaalsContact O-CA 3.31Å; H43-P47 WeakPolarHBondContact O-CA 3.27Å; H43-P47 VanDerWaalsContact O-N 3.13Å; P47-L49 PolarHBondContact O-N 3.17Å
48D82.4Confident84.7Confident158 Ų15861 Ų6185%0.84532%0.316SS*.G310 helixtrans-66.1-4.4-177.2-38.7-33.6000114.9F46F46-D48 VanDerWaalsContact C-N 3.27Å; F46-D48 PolarHBondContact O-N 2.98Å
49L81.6Confident84.4Confident46 Ų4664 Ų6424%0.24133%0.332CS..G310 helixtrans-102.2-20.6-172.3-61.9-175.7000115.1F46 P47 V70 K74F46-L49 HydrophobicContact CB-CB 4.35Å; F46-L49 HydrophobicContact CB-CD1 3.41Å; F46-L49 VanDerWaalsContact CB-CD1 3.41Å; F46-L49 HydrophobicContact CB-CG 3.79Å; F46-L49 HydrophobicContact CD1-CD1 4.42Å; F46-L49 HydrophobicContact CG-CD1 3.9Å; F46-L49 PolarHBondContact O-N 3.22Å; P47-L49 PolarHBondContact O-N 3.17Å; L49-V70 HydrophobicContact CB-CG1 3.69Å; L49-V70 HydrophobicContact CD1-CG1 3.74Å; L49-V70 HydrophobicContact CG-CG1 4.32Å; L49-K74 HydrophobicContact CD1-CB 3.73Å; L49-K74 HydrophobicContact CD1-CD 4.49Å; L49-K74 HydrophobicContact CD1-CG 3.78Å; L49-K74 HydrophobicContact CD2-CD 3.84Å; L49-K74 HydrophobicContact CD2-CG 3.83Å; L49-K74 HydrophobicContact CG-CG 4.45Å
50I84.9Confident84.2Confident5 Ų565.3 Ų65.33%0.02634%0.343CS..  trans-143.7115.2-174.5-64.3-179.6000107.6C39 I42 H43 F52 L55 L66 V70C39-I50 HydrophobicContact CB-CD1 4.34Å; C39-I50 HydrophobicContact CB-CG2 4.24Å; I42-I50 HydrophobicContact CB-CD1 3.82Å; I42-I50 HydrophobicContact CD1-CD1 4.33Å; I42-I50 HydrophobicContact CG2-CD1 3.66Å; I42-I50 HydrophobicContact CG2-CG1 4.39Å; H43-I50 HydrophobicContact CB-CB 4.39Å; H43-I50 PolarHBondContact CD2-O 3.31Å; I50-F52 VanDerWaalsContact C-N 3.31Å; I50-F52 PolarHBondContact O-N 2.99Å; I50-L55 HydrophobicContact CG2-CD1 3.86Å; I50-L66 HydrophobicContact CG2-CD2 4.1Å; I50-V70 HydrophobicContact CD1-CB 4.37Å; I50-V70 HydrophobicContact CD1-CG1 4.34Å; I50-V70 HydrophobicContact CD1-CG2 4.38Å; I50-V70 HydrophobicContact CG1-CB 4.39Å; I50-V70 HydrophobicContact CG1-CG1 4.26Å; I50-V70 HydrophobicContact CG1-CG2 3.96Å
51D85Confident83.7Confident96 Ų9670.9 Ų70.951%0.51337%0.372SS..  trans-7391.3168.8-170.7-18.9000109.6S53 H54D51-S53 PolarHBondContact O-N 2.66Å; D51-S53 WeakPolarHBondContact OD1-CB 3.27Å; D51-S53 PolarHBondContact OD1-N 3.01Å; D51-S53 PolarHBondContact OD1-OG 3.31Å; D51-H54 IonicContact OD1-CD2 3.86Å; D51-H54 IonicContact OD2-CD2 3.66Å; D51-H54 PolarHBondContact OD2-CD2 3.46Å; D51-H54 VanDerWaalsContact OD2-CD2 3.24Å
52F84.2Confident83.4Confident33 Ų3376.9 Ų76.915%0.14540%0.398CS..G310 helixtrans-66.6-23.8-177.7-169.5-87.5000112.4Y20 I23 C39 A40 H43 I50 H54 L55Y20-F52 AromaticContact CD1-CD1 3.62Å; Y20-F52 HydrophobicContact CD1-CD1 3.62Å; Y20-F52 HydrophobicContact CD1-CD2 4.35Å; Y20-F52 AromaticContact CD1-CE1 3.55Å; Y20-F52 HydrophobicContact CD1-CE1 3.55Å; Y20-F52 HydrophobicContact CD1-CE2 4.3Å; Y20-F52 HydrophobicContact CD1-CG 4.05Å; Y20-F52 AromaticContact CD1-CZ 3.93Å; Y20-F52 HydrophobicContact CD1-CZ 3.93Å; Y20-F52 AromaticContact CE1-CD1 3.99Å; Y20-F52 HydrophobicContact CE1-CD1 3.99Å; Y20-F52 HydrophobicContact CE1-CD2 4.37Å; Y20-F52 HydrophobicContact CE1-CE1 4.35Å; Y20-F52 HydrophobicContact CE1-CG 4.03Å; Y20-F52 HydrophobicContact CG-CE1 4.27Å; Y20-F52 HydrophobicContact CG-CZ 4.31Å; I23-F52 HydrophobicContact CD1-CE2 3.93Å; I23-F52 HydrophobicContact CD1-CZ 3.58Å; I23-F52 HydrophobicContact CG1-CZ 4.49Å; C39-F52 HydrophobicContact CB-CD2 4.24Å; C39-F52 HydrophobicContact CB-CE2 4.29Å; A40-F52 HydrophobicContact CB-CD2 4.31Å; A40-F52 HydrophobicContact CB-CE2 3.69Å; A40-F52 HydrophobicContact CB-CZ 4.27Å; H43-F52 HydrophobicContact CB-CB 4.5Å; I50-F52 VanDerWaalsContact C-N 3.31Å; I50-F52 PolarHBondContact O-N 2.99Å; F52-H54 VanDerWaalsContact C-N 3.26Å; F52-H54 PolarHBondContact O-N 3.37Å; F52-L55 HydrophobicContact CD2-CD1 3.87Å; F52-L55 HydrophobicContact CE2-CD1 4.28Å; F52-L55 HydrophobicContact CG-CD1 4.48Å; F52-L55 PolarHBondContact O-N 3.31Å
53S81.5Confident83.4Confident96 Ų9677 Ų7767%0.67140%0.399SS*.G310 helixtrans-70-23.3-174.774.20000113.5D51D51-S53 PolarHBondContact O-N 2.66Å; D51-S53 WeakPolarHBondContact OD1-CB 3.27Å; D51-S53 PolarHBondContact OD1-N 3.01Å; D51-S53 PolarHBondContact OD1-OG 3.31Å
54H81Confident83.2Confident153 Ų15375.3 Ų75.371%0.70839%0.391SS*.G310 helixtrans-95.6-3.2179.8-79.4-90.7000114.3D51 F52D51-H54 IonicContact OD1-CD2 3.86Å; D51-H54 IonicContact OD2-CD2 3.66Å; D51-H54 PolarHBondContact OD2-CD2 3.46Å; D51-H54 VanDerWaalsContact OD2-CD2 3.24Å; F52-H54 VanDerWaalsContact C-N 3.26Å; F52-H54 PolarHBondContact O-N 3.37Å
55L84.5Confident83.1Confident37 Ų3776.4 Ų76.419%0.19440%0.397CS..  trans-79.5145.1-179.3-61.1177.2000112.3L36 C39 I50 F52 L66L36-L55 HydrophobicContact CD2-CB 3.78Å; L36-L55 HydrophobicContact CD2-CD1 4.43Å; C39-L55 HydrophobicContact CB-CD1 3.5Å; C39-L55 VanDerWaalsContact CB-CD1 3.5Å; I50-L55 HydrophobicContact CG2-CD1 3.86Å; F52-L55 HydrophobicContact CD2-CD1 3.87Å; F52-L55 HydrophobicContact CE2-CD1 4.28Å; F52-L55 HydrophobicContact CG-CD1 4.48Å; F52-L55 PolarHBondContact O-N 3.31Å; L55-L66 HydrophobicContact CD2-CD2 3.94Å
56K81.6Confident83.2Confident125 Ų12576.4 Ų76.454%0.54340%0.399SS..  trans-131.6145.5176.9-64.9-176.2177.6-174.10110.7E58 D59 N63K56-E58 PolarHBondContact O-N 3.05Å; K56-D59 PolarHBondContact O-N 3.19Å; K56-D59 VanDerWaalsContact O-N 3.15Å; K56-N63 PolarHBondContact O-ND2 2.89Å
57S83.7Confident83.2Confident74 Ų7474 Ų7452%0.51739%0.389SS..G310 helixtrans-61.6-27.417649.90000113.5D59S57-D59 PolarHBondContact O-N 3.15Å
58E81.1Confident83.5Confident158 Ų15870.8 Ų70.874%0.73837%0.367SS*.G310 helixtrans-60.6-29.1175.6-62.4170.717400113.1K56 A60K56-E58 PolarHBondContact O-N 3.05Å; E58-A60 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 3.2Å
59D83Confident83.5Confident63 Ų6369 Ų6934%0.33735%0.352SS..G310 helixtrans-97.433.4-171.1-101.2-27.9000113.1K56 S57 L61 K62 N63K56-D59 PolarHBondContact O-N 3.19Å; K56-D59 VanDerWaalsContact O-N 3.15Å; S57-D59 PolarHBondContact O-N 3.15Å; D59-L61 VanDerWaalsContact C-N 3.32Å; D59-L61 PolarHBondContact O-N 3.28Å; D59-K62 HydrophobicContact CB-CB 4.4Å; D59-K62 HydrophobicContact CB-CD 4.2Å; D59-K62 WeakPolarHBondContact O-CA 3.32Å; D59-K62 WeakPolarHBondContact O-CB 3.24Å; D59-K62 PolarHBondContact O-N 2.95Å; D59-K62 WeakPolarHBondContact OD1-CD 3.46Å; D59-K62 VanDerWaalsContact OD1-CE 3.22Å; D59-K62 WeakPolarHBondContact OD1-CE 3.49Å; D59-K62 IonicContact OD1-NZ 3.89Å; D59-K62 PolarHBondContact OD1-NZ 3.4Å; D59-K62 IonicContact OD2-NZ 2.75Å; D59-K62 PolarHBondContact OD2-NZ 3.41Å; D59-N63 PolarHBondContact O-N 2.99Å
60A82.1Confident83.7Confident28 Ų2867.2 Ų67.223%0.23134%0.343CS..Hα-helixtrans-42.1-48.6-172.600000115.2E58 K62 N63 L64E58-A60 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 3.2Å; A60-K62 PolarHBondContact O-N 3.22Å; A60-N63 PolarHBondContact O-N 2.85Å; A60-L64 WeakPolarHBondContact O-CB 3.29Å; A60-L64 WeakPolarHBondContact O-CD1 2.97Å; A60-L64 VanDerWaalsContact O-CG 3.26Å; A60-L64 WeakPolarHBondContact O-CG 3.48Å; A60-L64 PolarHBondContact O-N 3.36Å
61L80.6Confident83.6Confident118 Ų11867 Ų6762%0.61834%0.342SS*.Hα-helixtrans-63.9-37.5178.9-70.6176000113.3D59 E65 V85D59-L61 VanDerWaalsContact C-N 3.32Å; D59-L61 PolarHBondContact O-N 3.28Å; L61-E65 WeakPolarHBondContact O-CB 3.23Å; L61-E65 PolarHBondContact O-N 3.06Å; L61-V85 HydrophobicContact CD2-CG1 4.4Å
62K83.1Confident83.5Confident126 Ų12664.7 Ų64.755%0.54833%0.328SS..Hα-helixtrans-71.7-41.4176.8-59.6179.9-168.8145.50110.6D59 A60 L64 E65 L66D59-K62 HydrophobicContact CB-CB 4.4Å; D59-K62 HydrophobicContact CB-CD 4.2Å; D59-K62 WeakPolarHBondContact O-CA 3.32Å; D59-K62 WeakPolarHBondContact O-CB 3.24Å; D59-K62 PolarHBondContact O-N 2.95Å; D59-K62 WeakPolarHBondContact OD1-CD 3.46Å; D59-K62 VanDerWaalsContact OD1-CE 3.22Å; D59-K62 WeakPolarHBondContact OD1-CE 3.49Å; D59-K62 IonicContact OD1-NZ 3.89Å; D59-K62 PolarHBondContact OD1-NZ 3.4Å; D59-K62 IonicContact OD2-NZ 2.75Å; D59-K62 PolarHBondContact OD2-NZ 3.41Å; A60-K62 PolarHBondContact O-N 3.22Å; K62-L64 VanDerWaalsContact C-N 3.33Å; K62-L64 PolarHBondContact O-N 3.49Å; K62-E65 PolarHBondContact O-N 2.73Å; K62-L66 VanDerWaalsContact O-CB 3.28Å; K62-L66 WeakPolarHBondContact O-CB 3.3Å; K62-L66 PolarHBondContact O-N 2.9Å
63N86.3Confident83.2Confident4 Ų466.2 Ų66.22%0.02134%0.34CS..Hα-helixtrans-59.7-45.6177.1-59.8-17000110.7D34 C39 K56 D59 A60 L66 A67D34-N63 WeakPolarHBondContact O-CB 3.12Å; D34-N63 PolarHBondContact O-ND2 2.98Å; C39-N63 PolarHBondContact SG-O 3.36Å; K56-N63 PolarHBondContact O-ND2 2.89Å; D59-N63 PolarHBondContact O-N 2.99Å; A60-N63 PolarHBondContact O-N 2.85Å; N63-L66 PolarHBondContact O-N 3.03Å; N63-A67 WeakPolarHBondContact O-CB 3.25Å; N63-A67 PolarHBondContact O-N 2.89Å
64L85.7Confident83.1Confident5 Ų567.2 Ų67.23%0.02633%0.333CS..Hα-helixtrans-64.5-46.9175.9-71.1165.5000112.3F38 A60 K62 L66 A67 F68 V85 L88F38-L64 HydrophobicContact CD2-CD2 3.76Å; F38-L64 HydrophobicContact CE2-CD2 3.95Å; A60-L64 WeakPolarHBondContact O-CB 3.29Å; A60-L64 WeakPolarHBondContact O-CD1 2.97Å; A60-L64 VanDerWaalsContact O-CG 3.26Å; A60-L64 WeakPolarHBondContact O-CG 3.48Å; A60-L64 PolarHBondContact O-N 3.36Å; K62-L64 VanDerWaalsContact C-N 3.33Å; K62-L64 PolarHBondContact O-N 3.49Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-L66 PolarHBondContact O-N 3.09Å; L64-A67 PolarHBondContact O-N 3.45Å; L64-F68 HydrophobicContact CB-CE2 4.18Å; L64-F68 HydrophobicContact CD2-CE2 4.13Å; L64-F68 HydrophobicContact CD2-CZ 3.92Å; L64-F68 WeakPolarHBondContact O-CB 3.48Å; L64-F68 VanDerWaalsContact O-CD2 3.23Å; L64-F68 WeakPolarHBondContact O-CD2 3.49Å; L64-F68 WeakPolarHBondContact O-CG 3.48Å; L64-F68 PolarHBondContact O-N 3.46Å; L64-V85 HydrophobicContact CB-CG1 4.46Å; L64-L88 HydrophobicContact CD1-CD1 3.67Å; L64-L88 HydrophobicContact CD2-CD1 3.85Å; L64-L88 HydrophobicContact CG-CD1 4.33Å
65E83.6Confident82.9Confident99 Ų9960.4 Ų60.446%0.46330%0.301SS..Hα-helixtrans-62-39.9178.3-169.4158.3-123.600111.3L61 K62 F69 R82L61-E65 WeakPolarHBondContact O-CB 3.23Å; L61-E65 PolarHBondContact O-N 3.06Å; K62-E65 PolarHBondContact O-N 2.73Å; E65-F69 WeakPolarHBondContact O-CB 3.21Å; E65-F69 PolarHBondContact O-N 2.91Å; E65-R82 IonicContact OE1-CZ 2.89Å; E65-R82 VanDerWaalsContact OE1-CZ 3.29Å; E65-R82 IonicContact OE1-NE 3.84Å; E65-R82 PolarHBondContact OE1-NE 2.88Å; E65-R82 IonicContact OE1-NH2 3.71Å; E65-R82 PolarHBondContact OE1-NH2 3.49Å; E65-R82 IonicContact OE2-NH2 2.69Å; E65-R82 PolarHBondContact OE2-NH2 3.04Å
66L85.1Confident82.4Confident60 Ų6065.3 Ų65.331%0.31433%0.328SS..Hα-helixtrans-64.9-52.1173.8-178.766.8000112.2I50 L55 K62 N63 L64 F68 F69 V70I50-L66 HydrophobicContact CG2-CD2 4.1Å; L55-L66 HydrophobicContact CD2-CD2 3.94Å; K62-L66 VanDerWaalsContact O-CB 3.28Å; K62-L66 WeakPolarHBondContact O-CB 3.3Å; K62-L66 PolarHBondContact O-N 2.9Å; N63-L66 PolarHBondContact O-N 3.03Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-L66 PolarHBondContact O-N 3.09Å; L66-F68 VanDerWaalsContact C-N 3.32Å; L66-F68 PolarHBondContact O-N 3.39Å; L66-F69 PolarHBondContact O-N 3.37Å; L66-V70 HydrophobicContact CD1-CG2 4.23Å; L66-V70 WeakPolarHBondContact O-CG2 3.32Å; L66-V70 PolarHBondContact O-N 3Å
67A85.7Confident82.2Confident0 Ų059.6 Ų59.60%030%0.303CS..Hα-helixtrans-58.8-44.7-178.900000111.7F38 I42 N63 L64 A71F38-A67 HydrophobicContact CB-CB 3.68Å; I42-A67 HydrophobicContact CD1-CB 4.18Å; I42-A67 VanDerWaalsContact CD1-O 3.3Å; I42-A67 WeakPolarHBondContact CD1-O 3.38Å; N63-A67 WeakPolarHBondContact O-CB 3.25Å; N63-A67 PolarHBondContact O-N 2.89Å; L64-A67 PolarHBondContact O-N 3.45Å; A67-A71 VanDerWaalsContact O-CB 3.28Å; A67-A71 WeakPolarHBondContact O-CB 3.29Å; A67-A71 PolarHBondContact O-N 3Å
68F86.3Confident81.6Confident3 Ų360.5 Ų60.51%0.01331%0.307CS..Hα-helixtrans-69.7-39.6178.1-62.3-25.8000112.1F38 L64 L66 V70 A71 E72 V79 L80 V85 L88 Y99F38-F68 HydrophobicContact CD2-CE1 4.28Å; F38-F68 HydrophobicContact CE2-CE1 4.24Å; F38-F68 HydrophobicContact CE2-CZ 4.26Å; F38-F68 HydrophobicContact CG-CE1 4.49Å; F38-F68 HydrophobicContact CZ-CE1 4.44Å; L64-F68 HydrophobicContact CB-CE2 4.18Å; L64-F68 HydrophobicContact CD2-CE2 4.13Å; L64-F68 HydrophobicContact CD2-CZ 3.92Å; L64-F68 WeakPolarHBondContact O-CB 3.48Å; L64-F68 VanDerWaalsContact O-CD2 3.23Å; L64-F68 WeakPolarHBondContact O-CD2 3.49Å; L64-F68 WeakPolarHBondContact O-CG 3.48Å; L64-F68 PolarHBondContact O-N 3.46Å; L66-F68 VanDerWaalsContact C-N 3.32Å; L66-F68 PolarHBondContact O-N 3.39Å; F68-V70 PolarHBondContact O-N 3.44Å; F68-A71 PolarHBondContact O-N 3.31Å; F68-E72 VanDerWaalsContact O-CB 3.32Å; F68-E72 WeakPolarHBondContact O-CB 3.28Å; F68-E72 PolarHBondContact O-N 2.9Å; F68-V79 HydrophobicContact CB-CG1 3.92Å; F68-V79 HydrophobicContact CB-CG2 4.12Å; F68-V79 HydrophobicContact CD2-CG1 4.44Å; F68-V79 HydrophobicContact CG-CG1 4.45Å; F68-L80 HydrophobicContact CZ-CD1 4.29Å; F68-V85 HydrophobicContact CD2-CG2 4.03Å; F68-V85 HydrophobicContact CE2-CG2 3.98Å; F68-L88 HydrophobicContact CE2-CD1 4.14Å; F68-L88 HydrophobicContact CZ-CD1 4.21Å; F68-Y99 AromaticContact CD1-CE1 3.7Å; F68-Y99 HydrophobicContact CD1-CE1 3.7Å; F68-Y99 HydrophobicContact CD1-CE2 4.35Å; F68-Y99 AromaticContact CD1-CZ 3.55Å; F68-Y99 WeakPolarHBondContact CD1-OH 3.44Å; F68-Y99 HydrophobicContact CE1-CD1 4.02Å; F68-Y99 AromaticContact CE1-CE1 3.48Å; F68-Y99 HydrophobicContact CE1-CE1 3.48Å; F68-Y99 VanDerWaalsContact CE1-CE1 3.48Å; F68-Y99 HydrophobicContact CE1-CE2 4.45Å; F68-Y99 AromaticContact CE1-CZ 3.75Å
69F83.6Confident81Confident120 Ų12055 Ų5553%0.52628%0.284SS..Hα-helixtrans-61.3-42.7174.4176.2-100.2000112.4E65 L66 E72 T73E65-F69 WeakPolarHBondContact O-CB 3.21Å; E65-F69 PolarHBondContact O-N 2.91Å; L66-F69 PolarHBondContact O-N 3.37Å; F69-E72 PolarHBondContact O-N 2.68Å; F69-T73 HydrophobicContact CD2-CG2 4.08Å; F69-T73 HydrophobicContact CE1-CG2 4.24Å; F69-T73 HydrophobicContact CE2-CG2 3.74Å; F69-T73 HydrophobicContact CG-CG2 4.48Å; F69-T73 HydrophobicContact CZ-CG2 3.83Å; F69-T73 WeakPolarHBondContact O-CB 3.42Å; F69-T73 WeakPolarHBondContact O-CG2 3.33Å; F69-T73 PolarHBondContact O-N 2.82Å; F69-T73 PolarHBondContact O-OG1 3.22Å
70V84.1Confident80.1Confident8 Ų852.9 Ų52.95%0.04827%0.273CS..Hα-helixtrans-68.4-43.2176.8173.90000111.1I42 L49 I50 L66 F68 E72 K74I42-V70 HydrophobicContact CG2-CG1 3.7Å; L49-V70 HydrophobicContact CB-CG1 3.69Å; L49-V70 HydrophobicContact CD1-CG1 3.74Å; L49-V70 HydrophobicContact CG-CG1 4.32Å; I50-V70 HydrophobicContact CD1-CB 4.37Å; I50-V70 HydrophobicContact CD1-CG1 4.34Å; I50-V70 HydrophobicContact CD1-CG2 4.38Å; I50-V70 HydrophobicContact CG1-CB 4.39Å; I50-V70 HydrophobicContact CG1-CG1 4.26Å; I50-V70 HydrophobicContact CG1-CG2 3.96Å; L66-V70 HydrophobicContact CD1-CG2 4.23Å; L66-V70 WeakPolarHBondContact O-CG2 3.32Å; L66-V70 PolarHBondContact O-N 3Å; F68-V70 PolarHBondContact O-N 3.44Å; V70-E72 VanDerWaalsContact C-N 3.29Å; V70-E72 PolarHBondContact O-N 3Å; V70-K74 HydrophobicContact CG1-CG 4.49Å; V70-K74 WeakPolarHBondContact O-CB 3.37Å; V70-K74 PolarHBondContact O-N 2.95Å
71A84.4Confident78.8Confident0 Ų055.1 Ų55.10%028%0.284CS..Hα-helixtrans-61.4-36.7175.200000112.5I42 A67 F68 L75 N76 I77 Y99 L103I42-A71 HydrophobicContact CD1-CB 4.16Å; A67-A71 VanDerWaalsContact O-CB 3.28Å; A67-A71 WeakPolarHBondContact O-CB 3.29Å; A67-A71 PolarHBondContact O-N 3Å; F68-A71 PolarHBondContact O-N 3.31Å; A71-L75 HydrophobicContact CB-CD1 4.47Å; A71-L75 CarbonylContact O-C 3.58Å; A71-L75 VanDerWaalsContact O-C 3.29Å; A71-L75 VanDerWaalsContact O-CA 3.23Å; A71-L75 WeakPolarHBondContact O-CA 3.42Å; A71-L75 WeakPolarHBondContact O-CB 3.41Å; A71-L75 PolarHBondContact O-N 2.88Å; A71-N76 PolarHBondContact O-N 3.07Å; A71-I77 HydrophobicContact CB-CB 4.35Å; A71-I77 HydrophobicContact CB-CD1 4.46Å; A71-I77 PolarHBondContact O-N 2.98Å; A71-Y99 WeakPolarHBondContact CB-OH 3.22Å; A71-L103 HydrophobicContact CB-CD2 4.42Å
72E81.8Confident77.3Confident48 Ų4858.1 Ų58.122%0.22429%0.287CS..Hα-helixtrans-68.9-56.7175.2-174.6167.1-12200112F68 F69 V70 K74 N76 I77 V79 S155F68-E72 VanDerWaalsContact O-CB 3.32Å; F68-E72 WeakPolarHBondContact O-CB 3.28Å; F68-E72 PolarHBondContact O-N 2.9Å; F69-E72 PolarHBondContact O-N 2.68Å; V70-E72 VanDerWaalsContact C-N 3.29Å; V70-E72 PolarHBondContact O-N 3Å; E72-K74 PolarHBondContact O-N 3.43Å; E72-N76 WeakPolarHBondContact O-CA 3.4Å; E72-N76 PolarHBondContact O-N 2.88Å; E72-I77 WeakPolarHBondContact CA-O 3.39Å; E72-V79 HydrophobicContact CB-CG2 3.6Å; E72-V79 HydrophobicContact CG-CG2 3.99Å; E72-V79 WeakPolarHBondContact OE1-CG2 3.45Å; E72-S155 VanDerWaalsContact CD-OG 3.26Å; E72-S155 WeakPolarHBondContact OE1-CB 3.38Å; E72-S155 PolarHBondContact OE1-OG 3.05Å
73T77.9Confident75.4Confident66 Ų6656.4 Ų56.441%0.40529%0.29SS..Hα-helixtrans-72.4-27.8-171.254.50000113.8F69F69-T73 HydrophobicContact CD2-CG2 4.08Å; F69-T73 HydrophobicContact CE1-CG2 4.24Å; F69-T73 HydrophobicContact CE2-CG2 3.74Å; F69-T73 HydrophobicContact CG-CG2 4.48Å; F69-T73 HydrophobicContact CZ-CG2 3.83Å; F69-T73 WeakPolarHBondContact O-CB 3.42Å; F69-T73 WeakPolarHBondContact O-CG2 3.33Å; F69-T73 PolarHBondContact O-N 2.82Å; F69-T73 PolarHBondContact O-OG1 3.22Å
74K79.2Confident73.7Confident117 Ų11760 Ų6051%0.50931%0.307SS..Hα-helixtrans-116.1-30.7-174.3-55.4-75.1-175.6166.30113L49 V70 E72 K110L49-K74 HydrophobicContact CD1-CB 3.73Å; L49-K74 HydrophobicContact CD1-CD 4.49Å; L49-K74 HydrophobicContact CD1-CG 3.78Å; L49-K74 HydrophobicContact CD2-CD 3.84Å; L49-K74 HydrophobicContact CD2-CG 3.83Å; L49-K74 HydrophobicContact CG-CG 4.45Å; V70-K74 HydrophobicContact CG1-CG 4.49Å; V70-K74 WeakPolarHBondContact O-CB 3.37Å; V70-K74 PolarHBondContact O-N 2.95Å; E72-K74 PolarHBondContact O-N 3.43Å; K74-K110 PolarHBondContact O-NZ 2.9Å
75L76.7Confident72.2Confident10 Ų1060.7 Ų60.75%0.05231%0.312CS..Hα-helixtrans-102.1-7.6179.4-45.6-176.9000113.6I42 F46 A71 I77 L103 K110I42-L75 HydrophobicContact CG1-CD1 4.48Å; F46-L75 HydrophobicContact CD2-CD2 3.94Å; F46-L75 HydrophobicContact CE1-CD2 4.46Å; F46-L75 HydrophobicContact CE2-CD1 4.43Å; F46-L75 HydrophobicContact CE2-CD2 3.44Å; F46-L75 VanDerWaalsContact CE2-CD2 3.44Å; F46-L75 HydrophobicContact CZ-CD2 3.75Å; A71-L75 HydrophobicContact CB-CD1 4.47Å; A71-L75 CarbonylContact O-C 3.58Å; A71-L75 VanDerWaalsContact O-C 3.29Å; A71-L75 VanDerWaalsContact O-CA 3.23Å; A71-L75 WeakPolarHBondContact O-CA 3.42Å; A71-L75 WeakPolarHBondContact O-CB 3.41Å; A71-L75 PolarHBondContact O-N 2.88Å; L75-I77 HydrophobicContact CB-CD1 3.78Å; L75-I77 HydrophobicContact CB-CG1 3.88Å; L75-I77 HydrophobicContact CD1-CD1 4.04Å; L75-I77 PolarHBondContact O-N 3.37Å; L75-L103 HydrophobicContact CD1-CD2 3.82Å; L75-K110 HydrophobicContact CD2-CD 4.37Å
76N74.2Confident70.7Confident140 Ų14063.6 Ų63.675%0.74932%0.323SS*.  trans55.431.7-173.9-66.2-15.4000113.2A71 E72A71-N76 PolarHBondContact O-N 3.07Å; E72-N76 WeakPolarHBondContact O-CA 3.4Å; E72-N76 PolarHBondContact O-N 2.88Å
77I78Confident68.9Low4 Ų464.3 Ų64.32%0.02133%0.329CS..PPolyproline II helixtrans-91.1121.2175.7-59.1171.2000107.9A71 E72 L75 V79 Y99 K102 L103A71-I77 HydrophobicContact CB-CB 4.35Å; A71-I77 HydrophobicContact CB-CD1 4.46Å; A71-I77 PolarHBondContact O-N 2.98Å; E72-I77 WeakPolarHBondContact CA-O 3.39Å; L75-I77 HydrophobicContact CB-CD1 3.78Å; L75-I77 HydrophobicContact CB-CG1 3.88Å; L75-I77 HydrophobicContact CD1-CD1 4.04Å; L75-I77 PolarHBondContact O-N 3.37Å; I77-V79 PolarHBondContact O-N 2.89Å; I77-Y99 HydrophobicContact CG2-CD2 4.36Å; I77-Y99 HydrophobicContact CG2-CE2 3.66Å; I77-K102 HydrophobicContact CG2-CB 4.11Å; I77-L103 HydrophobicContact CD1-CB 4.37Å; I77-L103 HydrophobicContact CD1-CD2 3.5Å; I77-L103 VanDerWaalsContact CD1-CD2 3.5Å; I77-L103 HydrophobicContact CD1-CG 3.84Å
78P70.9Confident67.4Low94 Ų9464.9 Ų64.961%0.6133%0.333SS*.PPolyproline II helixtrans-58.9131.3178.7-24.634.5000112
79V68.4Low65.8Low42 Ų4272.3 Ų72.326%0.25537%0.367SS..PPolyproline II helixtrans-65.4134.4177.6175.90000110.5F68 E72 I77 T81F68-V79 HydrophobicContact CB-CG1 3.92Å; F68-V79 HydrophobicContact CB-CG2 4.12Å; F68-V79 HydrophobicContact CD2-CG1 4.44Å; F68-V79 HydrophobicContact CG-CG1 4.45Å; E72-V79 HydrophobicContact CB-CG2 3.6Å; E72-V79 HydrophobicContact CG-CG2 3.99Å; E72-V79 WeakPolarHBondContact OE1-CG2 3.45Å; I77-V79 PolarHBondContact O-N 2.89Å; V79-T81 PolarHBondContact O-N 3.2Å; V79-T81 VanDerWaalsContact O-N 3.1Å
80L63.4Low64.4Low18 Ų1873.4 Ų73.49%0.09438%0.379CS..  trans-60.6111.7160.3-69.9169.7000107.3F68 Q84 V85 I95 Y99F68-L80 HydrophobicContact CZ-CD1 4.29Å; L80-Q84 HydrophobicContact CB-CB 4.06Å; L80-V85 WeakPolarHBondContact O-CG2 3.17Å; L80-I95 HydrophobicContact CD1-CG2 3.91Å; L80-I95 HydrophobicContact CD2-CG2 3.82Å; L80-Y99 HydrophobicContact CD1-CD2 3.96Å; L80-Y99 HydrophobicContact CD1-CG 3.99Å; L80-Y99 HydrophobicContact CG-CD2 3.89Å; L80-Y99 HydrophobicContact CG-CE2 4.44Å; L80-Y99 HydrophobicContact CG-CG 4.42Å
81T55.6Low63.2Low75 Ų7573.7 Ų73.746%0.4638%0.382SS..  trans-46.6154.2-168.9560000113.5V79 S83 Q84 V85V79-T81 PolarHBondContact O-N 3.2Å; V79-T81 VanDerWaalsContact O-N 3.1Å; T81-S83 CarbonylContact O-C 3.54Å; T81-S83 PolarHBondContact O-N 2.89Å; T81-Q84 CarbonylContact O-C 3.43Å; T81-Q84 WeakPolarHBondContact O-CA 3.44Å; T81-Q84 WeakPolarHBondContact O-CB 3.44Å; T81-Q84 PolarHBondContact O-N 3.47Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.46Å; T81-Q84 PolarHBondContact OG1-OE1 3.43Å; T81-V85 PolarHBondContact O-N 3.35Å
82R48.3Very low62.3Low182 Ų18278.6 Ų78.669%0.68741%0.408SS*.Hα-helixtrans-55.6-18.2-179.5-138.2179-158.6-156.34.1114.7E65E65-R82 IonicContact OE1-CZ 2.89Å; E65-R82 VanDerWaalsContact OE1-CZ 3.29Å; E65-R82 IonicContact OE1-NE 3.84Å; E65-R82 PolarHBondContact OE1-NE 2.88Å; E65-R82 IonicContact OE1-NH2 3.71Å; E65-R82 PolarHBondContact OE1-NH2 3.49Å; E65-R82 IonicContact OE2-NH2 2.69Å; E65-R82 PolarHBondContact OE2-NH2 3.04Å
83S43.9Very low62.1Low89 Ų8981.5 Ų81.562%0.62242%0.422SS*.Hα-helixtrans-75.3-46.3167.2-60.30000112.5T81 V85 K86 V87T81-S83 CarbonylContact O-C 3.54Å; T81-S83 PolarHBondContact O-N 2.89Å; S83-V85 VanDerWaalsContact C-N 3.29Å; S83-V85 PolarHBondContact O-N 3.21Å; S83-K86 PolarHBondContact O-N 3.34Å; S83-K86 VanDerWaalsContact O-N 3.15Å; S83-V87 WeakPolarHBondContact O-CG2 3.15Å; S83-V87 PolarHBondContact O-N 3.22Å
84Q51.1Low62Low80 Ų8085.9 Ų85.937%0.37444%0.435SS..Hα-helixtrans-62.5-31.6173.2-71.2160.9-30.100112.5L80 T81 K86 V87 L88L80-Q84 HydrophobicContact CB-CB 4.06Å; T81-Q84 CarbonylContact O-C 3.43Å; T81-Q84 WeakPolarHBondContact O-CA 3.44Å; T81-Q84 WeakPolarHBondContact O-CB 3.44Å; T81-Q84 PolarHBondContact O-N 3.47Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.46Å; T81-Q84 PolarHBondContact OG1-OE1 3.43Å; Q84-K86 VanDerWaalsContact C-N 3.29Å; Q84-K86 PolarHBondContact O-N 3.27Å; Q84-V87 CarbonylContact O-C 3.32Å; Q84-V87 WeakPolarHBondContact O-CA 3.49Å; Q84-V87 PolarHBondContact O-N 3.36Å; Q84-L88 PolarHBondContact O-N 2.9Å
85V53.6Low62Low20 Ų2082.7 Ų82.712%0.12142%0.423CS..Hα-helixtrans-62.2-35.2172.8-175.10000112L61 L64 F68 L80 T81 S83 V87 L88L61-V85 HydrophobicContact CD2-CG1 4.4Å; L64-V85 HydrophobicContact CB-CG1 4.46Å; F68-V85 HydrophobicContact CD2-CG2 4.03Å; F68-V85 HydrophobicContact CE2-CG2 3.98Å; L80-V85 WeakPolarHBondContact O-CG2 3.17Å; T81-V85 PolarHBondContact O-N 3.35Å; S83-V85 VanDerWaalsContact C-N 3.29Å; S83-V85 PolarHBondContact O-N 3.21Å; V85-V87 VanDerWaalsContact C-N 3.35Å; V85-L88 HydrophobicContact CG1-CD1 4.5Å; V85-L88 WeakPolarHBondContact O-CB 3.38Å; V85-L88 PolarHBondContact O-N 2.63Å
86K52.5Low62.3Low160 Ų16082.2 Ų82.270%0.69642%0.421SS*.Hα-helixtrans-72.9-28.3171.9-69.8-172.9171-166.40112.9S83 Q84 L88S83-K86 PolarHBondContact O-N 3.34Å; S83-K86 VanDerWaalsContact O-N 3.15Å; Q84-K86 VanDerWaalsContact C-N 3.29Å; Q84-K86 PolarHBondContact O-N 3.27Å; K86-L88 PolarHBondContact O-N 3.31Å
87V47.5Very low62.8Low74 Ų7477.1 Ų77.145%0.44839%0.392SS..G310 helixtrans-76.4-4176.2177.80000112S83 Q84 V85 E89 D90 A91S83-V87 WeakPolarHBondContact O-CG2 3.15Å; S83-V87 PolarHBondContact O-N 3.22Å; Q84-V87 CarbonylContact O-C 3.32Å; Q84-V87 WeakPolarHBondContact O-CA 3.49Å; Q84-V87 PolarHBondContact O-N 3.36Å; V85-V87 VanDerWaalsContact C-N 3.35Å; V87-E89 PolarHBondContact O-N 3.42Å; V87-D90 CarbonylContact O-C 3.18Å; V87-D90 WeakPolarHBondContact O-CA 3.34Å; V87-D90 PolarHBondContact O-N 3.23Å; V87-A91 PolarHBondContact O-N 3.04Å; V87-A91 VanDerWaalsContact O-N 3.09Å
88L54.4Low62.9Low13 Ų1380.5 Ų80.57%0.06841%0.408CS..G310 helixtrans-64.9-18.1171.1-82.6160.4000113.4K33 L64 F68 Q84 V85 K86 D90 A91 I96K33-L88 VanDerWaalsContact CE-O 3.23Å; K33-L88 WeakPolarHBondContact CE-O 3.48Å; L64-L88 HydrophobicContact CD1-CD1 3.67Å; L64-L88 HydrophobicContact CD2-CD1 3.85Å; L64-L88 HydrophobicContact CG-CD1 4.33Å; F68-L88 HydrophobicContact CE2-CD1 4.14Å; F68-L88 HydrophobicContact CZ-CD1 4.21Å; Q84-L88 PolarHBondContact O-N 2.9Å; V85-L88 HydrophobicContact CG1-CD1 4.5Å; V85-L88 WeakPolarHBondContact O-CB 3.38Å; V85-L88 PolarHBondContact O-N 2.63Å; K86-L88 PolarHBondContact O-N 3.31Å; L88-D90 PolarHBondContact O-N 2.87Å; L88-A91 HydrophobicContact CD2-CB 3.86Å; L88-A91 PolarHBondContact O-N 3Å; L88-I96 HydrophobicContact CD2-CD1 4.16Å; L88-I96 HydrophobicContact CD2-CG1 4.17Å
89E52.4Low63.5Low158 Ų15876.2 Ų76.274%0.73838%0.379SS*.G310 helixtrans-59.8-38.7167.4-67.9-178.3162.600110.7K33 V87K33-E89 PolarHBondContact NZ-O 2.97Å; V87-E89 PolarHBondContact O-N 3.42Å
90D54.4Low64.4Low144 Ų14474.2 Ų74.277%0.7737%0.367SS*.G310 helixtrans-109.232.6177.4-64.2-38.5000112.8V87 L88 D92V87-D90 CarbonylContact O-C 3.18Å; V87-D90 WeakPolarHBondContact O-CA 3.34Å; V87-D90 PolarHBondContact O-N 3.23Å; L88-D90 PolarHBondContact O-N 2.87Å; D90-D92 PolarHBondContact O-N 3.43Å
91A57.7Low65.5Low14 Ų1473.9 Ų73.912%0.11637%0.366CS..  trans-59.4112-170.500000114V87 L88 E93 I96V87-A91 PolarHBondContact O-N 3.04Å; V87-A91 VanDerWaalsContact O-N 3.09Å; L88-A91 HydrophobicContact CD2-CB 3.86Å; L88-A91 PolarHBondContact O-N 3Å; A91-E93 PolarHBondContact O-N 3.4Å; A91-I96 HydrophobicContact CB-CD1 3.6Å; A91-I96 HydrophobicContact CB-CG1 4.35Å
92D66.4Low66.8Low103 Ų10373.9 Ų73.955%0.55136%0.36SS*.  trans-61.1130.6166-119.7-19.9000110D90 K94 I95D90-D92 PolarHBondContact O-N 3.43Å; D92-K94 PolarHBondContact O-N 2.94Å; D92-I95 HydrophobicContact CB-CD1 4.03Å; D92-I95 HydrophobicContact CB-CG1 4.07Å; D92-I95 PolarHBondContact O-N 2.95Å
93E78.6Confident68.6Low109 Ų10965.2 Ų65.251%0.50933%0.327SS..Hα-helixtrans-48.1-37.4179.2-170.3-170.2162.800112.2F28 T29 A91 I95 I96 F97F28-E93 HydrophobicContact CB-CG 3.81Å; T29-E93 HydrophobicContact CG2-CB 3.73Å; T29-E93 HydrophobicContact CG2-CG 4.08Å; A91-E93 PolarHBondContact O-N 3.4Å; E93-I95 PolarHBondContact O-N 3.45Å; E93-I96 PolarHBondContact O-N 3.07Å; E93-F97 WeakPolarHBondContact O-CB 3.43Å; E93-F97 PolarHBondContact O-N 3.43Å
94K75.7Confident70.7Confident157 Ų15761.9 Ų61.968%0.68330%0.301SS*.Hα-helixtrans-59.9-39178.9-64.5175.5-177.2168.90113.4D92 E98D92-K94 PolarHBondContact O-N 2.94Å; K94-E98 VanDerWaalsContact O-CB 3.27Å; K94-E98 WeakPolarHBondContact O-CB 3.44Å; K94-E98 PolarHBondContact O-N 2.92Å
95I78.6Confident72.2Confident50 Ų5058.3 Ų58.326%0.25629%0.286SS..Hα-helixtrans-70.9-45.3-175.7-59.5175.3000109.8L80 D92 E93 E98 Y99L80-I95 HydrophobicContact CD1-CG2 3.91Å; L80-I95 HydrophobicContact CD2-CG2 3.82Å; D92-I95 HydrophobicContact CB-CD1 4.03Å; D92-I95 HydrophobicContact CB-CG1 4.07Å; D92-I95 PolarHBondContact O-N 2.95Å; E93-I95 PolarHBondContact O-N 3.45Å; I95-E98 PolarHBondContact O-N 3.47Å; I95-Y99 WeakPolarHBondContact O-CB 3.35Å; I95-Y99 PolarHBondContact O-N 3.44Å
96I83.3Confident73.4Confident1 Ų158.2 Ų58.21%0.00529%0.286CS..Hα-helixtrans-66-48176.3-68.5165.1000109.5F28 W32 F38 L88 A91 E93 E98 Y99 V100F28-I96 HydrophobicContact CB-CB 4.42Å; F28-I96 HydrophobicContact CB-CG2 4.03Å; F28-I96 HydrophobicContact CD1-CG2 4.2Å; F28-I96 VanDerWaalsContact O-CB 3.28Å; F28-I96 WeakPolarHBondContact O-CB 3.13Å; F28-I96 VanDerWaalsContact O-CD1 3.23Å; F28-I96 WeakPolarHBondContact O-CD1 3.41Å; F28-I96 WeakPolarHBondContact O-CG2 3.45Å; W32-I96 HydrophobicContact CB-CD1 4.25Å; W32-I96 HydrophobicContact CB-CG2 4.15Å; W32-I96 HydrophobicContact CD2-CG2 4.03Å; W32-I96 HydrophobicContact CG-CG2 3.68Å; F38-I96 HydrophobicContact CZ-CG2 4.38Å; L88-I96 HydrophobicContact CD2-CD1 4.16Å; L88-I96 HydrophobicContact CD2-CG1 4.17Å; A91-I96 HydrophobicContact CB-CD1 3.6Å; A91-I96 HydrophobicContact CB-CG1 4.35Å; E93-I96 PolarHBondContact O-N 3.07Å; I96-E98 VanDerWaalsContact C-N 3.34Å; I96-E98 PolarHBondContact O-N 2.96Å; I96-Y99 PolarHBondContact O-N 3.13Å; I96-V100 HydrophobicContact CG2-CG2 4.09Å; I96-V100 WeakPolarHBondContact O-CB 3.34Å; I96-V100 VanDerWaalsContact O-CG2 3.26Å; I96-V100 WeakPolarHBondContact O-CG2 3.36Å; I96-V100 PolarHBondContact O-N 3.44Å
97F83.4Confident74.9Confident33 Ų3350.8 Ų50.815%0.14525%0.254CS..Hα-helixtrans-55.6-44.3175.8168.8-96.9000112.9F5 P6 L9 F28 E93 S101 L128F5-F97 HydrophobicContact CD1-CE2 4.07Å; F5-F97 AromaticContact CD1-CZ 3.8Å; F5-F97 HydrophobicContact CD1-CZ 3.8Å; F5-F97 HydrophobicContact CE1-CE2 4.13Å; F5-F97 AromaticContact CE1-CZ 3.87Å; F5-F97 HydrophobicContact CE1-CZ 3.87Å; P6-F97 HydrophobicContact CB-CD2 4.4Å; P6-F97 HydrophobicContact CB-CE2 4.08Å; P6-F97 HydrophobicContact CG-CE2 4.09Å; P6-F97 HydrophobicContact CG-CZ 4.44Å; L9-F97 HydrophobicContact CD2-CD2 3.76Å; L9-F97 HydrophobicContact CD2-CE2 3.66Å; F28-F97 HydrophobicContact CB-CB 4.45Å; F28-F97 HydrophobicContact CD2-CB 4.43Å; F28-F97 HydrophobicContact CD2-CD2 4.27Å; F28-F97 AromaticContact CE2-CD2 3.99Å; F28-F97 HydrophobicContact CE2-CD2 3.99Å; F28-F97 HydrophobicContact CG-CB 4.25Å; F28-F97 HydrophobicContact CZ-CD2 4.18Å; E93-F97 WeakPolarHBondContact O-CB 3.43Å; E93-F97 PolarHBondContact O-N 3.43Å; F97-S101 VanDerWaalsContact O-CB 3.26Å; F97-S101 WeakPolarHBondContact O-CB 3.35Å; F97-S101 PolarHBondContact O-N 3.05Å; F97-S101 PolarHBondContact O-OG 3.23Å; F97-L128 HydrophobicContact CE1-CD1 4.27Å
98E80.6Confident76.5Confident75 Ų7549 Ų4935%0.3524%0.244SC..Hα-helixtrans-64.8-42.3177.8-165.1-159158.800111.4K94 I95 I96 S101 K102K94-E98 VanDerWaalsContact O-CB 3.27Å; K94-E98 WeakPolarHBondContact O-CB 3.44Å; K94-E98 PolarHBondContact O-N 2.92Å; I95-E98 PolarHBondContact O-N 3.47Å; I96-E98 VanDerWaalsContact C-N 3.34Å; I96-E98 PolarHBondContact O-N 2.96Å; E98-S101 WeakPolarHBondContact O-CB 3.43Å; E98-S101 PolarHBondContact O-N 2.94Å; E98-K102 VanDerWaalsContact CD-NZ 3.27Å; E98-K102 WeakPolarHBondContact O-CG 3.23Å; E98-K102 PolarHBondContact O-N 2.8Å; E98-K102 WeakPolarHBondContact OE1-CE 3.07Å; E98-K102 IonicContact OE1-NZ 3.84Å; E98-K102 PolarHBondContact OE1-NZ 2.86Å; E98-K102 IonicContact OE2-NZ 2.74Å
99Y84.4Confident77.3Confident3 Ų356.4 Ų56.41%0.01227%0.27CS..Hα-helixtrans-68.9-43178.9-169.4-96.1000112.5F38 F68 A71 I77 L80 I95 I96 S101 K102 L103F38-Y99 HydrophobicContact CD1-CD1 4.19Å; F38-Y99 HydrophobicContact CD1-CE1 4.18Å; F38-Y99 AromaticContact CE1-CD1 3.61Å; F38-Y99 HydrophobicContact CE1-CD1 3.61Å; F38-Y99 HydrophobicContact CE1-CE1 4.05Å; F38-Y99 HydrophobicContact CZ-CD1 4.18Å; F68-Y99 AromaticContact CD1-CE1 3.7Å; F68-Y99 HydrophobicContact CD1-CE1 3.7Å; F68-Y99 HydrophobicContact CD1-CE2 4.35Å; F68-Y99 AromaticContact CD1-CZ 3.55Å; F68-Y99 WeakPolarHBondContact CD1-OH 3.44Å; F68-Y99 HydrophobicContact CE1-CD1 4.02Å; F68-Y99 AromaticContact CE1-CE1 3.48Å; F68-Y99 HydrophobicContact CE1-CE1 3.48Å; F68-Y99 VanDerWaalsContact CE1-CE1 3.48Å; F68-Y99 HydrophobicContact CE1-CE2 4.45Å; F68-Y99 AromaticContact CE1-CZ 3.75Å; A71-Y99 WeakPolarHBondContact CB-OH 3.22Å; I77-Y99 HydrophobicContact CG2-CD2 4.36Å; I77-Y99 HydrophobicContact CG2-CE2 3.66Å; L80-Y99 HydrophobicContact CD1-CD2 3.96Å; L80-Y99 HydrophobicContact CD1-CG 3.99Å; L80-Y99 HydrophobicContact CG-CD2 3.89Å; L80-Y99 HydrophobicContact CG-CE2 4.44Å; L80-Y99 HydrophobicContact CG-CG 4.42Å; I95-Y99 WeakPolarHBondContact O-CB 3.35Å; I95-Y99 PolarHBondContact O-N 3.44Å; I96-Y99 PolarHBondContact O-N 3.13Å; Y99-S101 VanDerWaalsContact C-N 3.31Å; Y99-S101 PolarHBondContact O-N 2.93Å; Y99-K102 WeakPolarHBondContact O-CB 3.21Å; Y99-K102 PolarHBondContact O-N 3.24Å; Y99-K102 VanDerWaalsContact O-N 3.16Å; Y99-L103 HydrophobicContact CD1-CD1 3.79Å; Y99-L103 HydrophobicContact CD1-CG 4.44Å; Y99-L103 HydrophobicContact CE1-CD1 3.5Å; Y99-L103 VanDerWaalsContact CE1-CD1 3.5Å; Y99-L103 HydrophobicContact CE1-CG 4.06Å; Y99-L103 PolarHBondContact O-N 2.82Å
100V86.9Confident77.8Confident0 Ų053.8 Ų53.80%026%0.257CS..Hα-helixtrans-64.5-36.4174.11780000111L9 C13 F28 W32 F38 I96 K102 L103 Y104L9-V100 HydrophobicContact CD1-CG1 4.14Å; L9-V100 HydrophobicContact CD2-CB 4.37Å; L9-V100 HydrophobicContact CD2-CG1 4.01Å; L9-V100 HydrophobicContact CG-CG1 4.03Å; C13-V100 WeakPolarHBondContact SG-CG1 3.44Å; F28-V100 HydrophobicContact CD1-CG2 4.49Å; F28-V100 HydrophobicContact CE1-CB 4.31Å; F28-V100 HydrophobicContact CE1-CG1 4.09Å; W32-V100 HydrophobicContact CD2-CG2 4.3Å; W32-V100 HydrophobicContact CE3-CG2 4.11Å; W32-V100 HydrophobicContact CH2-CG1 4.02Å; W32-V100 HydrophobicContact CH2-CG2 3.56Å; W32-V100 HydrophobicContact CZ2-CG1 4.29Å; W32-V100 HydrophobicContact CZ2-CG2 3.77Å; W32-V100 HydrophobicContact CZ3-CG2 3.74Å; F38-V100 HydrophobicContact CE1-CG2 3.8Å; I96-V100 HydrophobicContact CG2-CG2 4.09Å; I96-V100 WeakPolarHBondContact O-CB 3.34Å; I96-V100 VanDerWaalsContact O-CG2 3.26Å; I96-V100 WeakPolarHBondContact O-CG2 3.36Å; I96-V100 PolarHBondContact O-N 3.44Å; V100-K102 PolarHBondContact O-N 3.08Å; V100-L103 WeakPolarHBondContact O-CB 3.18Å; V100-L103 PolarHBondContact O-N 2.96Å; V100-Y104 WeakPolarHBondContact O-CB 3.26Å; V100-Y104 PolarHBondContact O-N 3.42Å
101S85.5Confident78Confident11 Ų1151.1 Ų51.18%0.07725%0.25CC..Hα-helixtrans-62.2-39.8172-64.60000112.3L9 F97 E98 Y99 G105L9-S101 WeakPolarHBondContact CD2-OG 3.25Å; F97-S101 VanDerWaalsContact O-CB 3.26Å; F97-S101 WeakPolarHBondContact O-CB 3.35Å; F97-S101 PolarHBondContact O-N 3.05Å; F97-S101 PolarHBondContact O-OG 3.23Å; E98-S101 WeakPolarHBondContact O-CB 3.43Å; E98-S101 PolarHBondContact O-N 2.94Å; Y99-S101 VanDerWaalsContact C-N 3.31Å; Y99-S101 PolarHBondContact O-N 2.93Å; S101-G105 PolarHBondContact O-N 3.4Å
102K84.1Confident77.8Confident76 Ų7654 Ų5433%0.3327%0.269SS..Hα-helixtrans-66.4-38.7173.9-70.3165-174.1164.40112I77 E98 Y99 V100 S106I77-K102 HydrophobicContact CG2-CB 4.11Å; E98-K102 VanDerWaalsContact CD-NZ 3.27Å; E98-K102 WeakPolarHBondContact O-CG 3.23Å; E98-K102 PolarHBondContact O-N 2.8Å; E98-K102 WeakPolarHBondContact OE1-CE 3.07Å; E98-K102 IonicContact OE1-NZ 3.84Å; E98-K102 PolarHBondContact OE1-NZ 2.86Å; E98-K102 IonicContact OE2-NZ 2.74Å; Y99-K102 WeakPolarHBondContact O-CB 3.21Å; Y99-K102 PolarHBondContact O-N 3.24Å; Y99-K102 VanDerWaalsContact O-N 3.16Å; V100-K102 PolarHBondContact O-N 3.08Å; K102-S106 WeakPolarHBondContact O-CB 3.5Å; K102-S106 PolarHBondContact O-N 3.5Å; K102-S106 VanDerWaalsContact O-N 3.12Å; K102-S106 PolarHBondContact O-OG 3.03Å
103L85.4Confident76.6Confident0 Ų052.7 Ų52.70%028%0.279CS..Hα-helixtrans-61.9-55.7172.3-84.3164.3000111.3F38 L41 I42 A71 L75 I77 Y99 V100 G105 S106 I107F38-L103 HydrophobicContact CD1-CD1 3.86Å; F38-L103 HydrophobicContact CE1-CD1 4.24Å; L41-L103 HydrophobicContact CD2-CB 4.44Å; L41-L103 HydrophobicContact CD2-CD1 4.31Å; I42-L103 HydrophobicContact CD1-CD2 4.45Å; I42-L103 HydrophobicContact CG1-CD2 4.14Å; A71-L103 HydrophobicContact CB-CD2 4.42Å; L75-L103 HydrophobicContact CD1-CD2 3.82Å; I77-L103 HydrophobicContact CD1-CB 4.37Å; I77-L103 HydrophobicContact CD1-CD2 3.5Å; I77-L103 VanDerWaalsContact CD1-CD2 3.5Å; I77-L103 HydrophobicContact CD1-CG 3.84Å; Y99-L103 HydrophobicContact CD1-CD1 3.79Å; Y99-L103 HydrophobicContact CD1-CG 4.44Å; Y99-L103 HydrophobicContact CE1-CD1 3.5Å; Y99-L103 VanDerWaalsContact CE1-CD1 3.5Å; Y99-L103 HydrophobicContact CE1-CG 4.06Å; Y99-L103 PolarHBondContact O-N 2.82Å; V100-L103 WeakPolarHBondContact O-CB 3.18Å; V100-L103 PolarHBondContact O-N 2.96Å; L103-G105 PolarHBondContact O-N 3.09Å; L103-S106 PolarHBondContact O-N 3.39Å; L103-I107 HydrophobicContact CB-CD1 4.39Å; L103-I107 HydrophobicContact CD2-CD1 4.44Å; L103-I107 WeakPolarHBondContact O-CB 3.21Å; L103-I107 WeakPolarHBondContact O-CG1 3.34Å; L103-I107 PolarHBondContact O-N 3.1Å
104Y87.5Confident74.8Confident18 Ų1856.1 Ų56.17%0.07130%0.295CS..Hα-helixtrans-50.5-52.3177.2173.5-100.5000112Y8 L9 W12 V100 S106 I107 T108Y8-Y104 HydrophobicContact CE1-CE2 4.28Å; Y8-Y104 AromaticContact CE1-CZ 3.89Å; Y8-Y104 WeakPolarHBondContact CE1-OH 3.22Å; Y8-Y104 PolarHBondContact OH-OH 3.38Å; L9-Y104 HydrophobicContact CD1-CD1 4.39Å; L9-Y104 HydrophobicContact CD1-CD2 4.13Å; L9-Y104 HydrophobicContact CD1-CG 3.79Å; W12-Y104 AromaticContact CD2-CD2 3.44Å; W12-Y104 HydrophobicContact CD2-CD2 3.44Å; W12-Y104 VanDerWaalsContact CD2-CD2 3.44Å; W12-Y104 AromaticContact CD2-CE2 3.81Å; W12-Y104 HydrophobicContact CD2-CE2 3.81Å; W12-Y104 AromaticContact CE2-CD2 3.59Å; W12-Y104 AromaticContact CE2-CE2 3.9Å; W12-Y104 AromaticContact CE3-CD2 3.54Å; W12-Y104 HydrophobicContact CE3-CD2 3.54Å; W12-Y104 HydrophobicContact CE3-CE2 4.33Å; W12-Y104 HydrophobicContact CE3-CG 4.36Å; W12-Y104 HydrophobicContact CG-CD2 4.01Å; W12-Y104 AromaticContact CG-CE2 3.9Å; W12-Y104 HydrophobicContact CG-CE2 3.9Å; W12-Y104 AromaticContact CH2-CD2 3.93Å; W12-Y104 HydrophobicContact CH2-CD2 3.93Å; W12-Y104 AromaticContact CZ2-CD2 3.86Å; W12-Y104 HydrophobicContact CZ2-CD2 3.86Å; W12-Y104 HydrophobicContact CZ2-CE2 4.5Å; W12-Y104 AromaticContact CZ3-CD2 3.77Å; W12-Y104 HydrophobicContact CZ3-CD2 3.77Å; W12-Y104 HydrophobicContact CZ3-CG 4.34Å; V100-Y104 WeakPolarHBondContact O-CB 3.26Å; V100-Y104 PolarHBondContact O-N 3.42Å; Y104-S106 VanDerWaalsContact C-N 3.26Å; Y104-S106 PolarHBondContact O-N 3.01Å; Y104-I107 PolarHBondContact O-N 3.47Å; Y104-T108 HydrophobicContact CD2-CG2 3.92Å; Y104-T108 HydrophobicContact CE1-CG2 4.17Å; Y104-T108 HydrophobicContact CE2-CG2 3.59Å; Y104-T108 HydrophobicContact CG-CG2 4.39Å; Y104-T108 WeakPolarHBondContact O-CB 3.3Å; Y104-T108 WeakPolarHBondContact O-CG2 3.34Å; Y104-T108 PolarHBondContact O-N 2.62Å; Y104-T108 PolarHBondContact O-OG1 3.29Å
105G82.9Confident72.6Confident6 Ų657.6 Ų57.66%0.06231%0.31CS..Hα-helixtrans-63.4-29.4178.900000113.6S101 L103 T108 R109S101-G105 PolarHBondContact O-N 3.4Å; L103-G105 PolarHBondContact O-N 3.09Å; G105-T108 PolarHBondContact O-OG1 3.05Å; G105-R109 WeakPolarHBondContact O-CB 3.44Å; G105-R109 VanDerWaalsContact O-CG 3.25Å; G105-R109 WeakPolarHBondContact O-CG 3.45Å; G105-R109 VanDerWaalsContact O-CZ 3.24Å; G105-R109 PolarHBondContact O-N 3.33Å; G105-R109 PolarHBondContact O-NE 3.41Å; G105-R109 PolarHBondContact O-NH2 3.19Å
106S80.2Confident70.3Confident18 Ų1858.7 Ų58.713%0.12633%0.333CS..Hα-helixtrans-83.9-32.4179.8-560000112.7K102 L103 Y104 K110K102-S106 WeakPolarHBondContact O-CB 3.5Å; K102-S106 PolarHBondContact O-N 3.5Å; K102-S106 VanDerWaalsContact O-N 3.12Å; K102-S106 PolarHBondContact O-OG 3.03Å; L103-S106 PolarHBondContact O-N 3.39Å; Y104-S106 VanDerWaalsContact C-N 3.26Å; Y104-S106 PolarHBondContact O-N 3.01Å; S106-K110 WeakPolarHBondContact O-CG 3.43Å
107I83.8Confident67.7Low3 Ų363.6 Ų63.62%0.01537%0.368CS..Hα-helixtrans-71-52.8174.5-73.1164.7000110.3W12 L41 H45 F46 L103 Y104 R109 K110 S111W12-I107 HydrophobicContact CH2-CD1 3.97Å; W12-I107 HydrophobicContact CH2-CG2 4.44Å; W12-I107 HydrophobicContact CZ2-CG2 4.1Å; L41-I107 HydrophobicContact CG-CD1 4.35Å; H45-I107 HydrophobicContact CB-CG2 4.34Å; H45-I107 WeakPolarHBondContact CD2-CG2 3.43Å; H45-I107 WeakPolarHBondContact NE2-CG2 3.21Å; F46-I107 HydrophobicContact CE2-CG1 4.36Å; L103-I107 HydrophobicContact CB-CD1 4.39Å; L103-I107 HydrophobicContact CD2-CD1 4.44Å; L103-I107 WeakPolarHBondContact O-CB 3.21Å; L103-I107 WeakPolarHBondContact O-CG1 3.34Å; L103-I107 PolarHBondContact O-N 3.1Å; Y104-I107 PolarHBondContact O-N 3.47Å; I107-R109 VanDerWaalsContact C-N 3.35Å; I107-R109 PolarHBondContact O-N 3.15Å; I107-K110 PolarHBondContact O-N 2.84Å; I107-S111 PolarHBondContact O-N 2.95Å; I107-S111 PolarHBondContact O-OG 3.3Å
108T79.6Confident65.3Low38 Ų3868.8 Ų68.823%0.23340%0.397CS..Hα-helixtrans-61.3-38.4-17950.10000113.2Y104 G105 K110 S111 S112Y104-T108 HydrophobicContact CD2-CG2 3.92Å; Y104-T108 HydrophobicContact CE1-CG2 4.17Å; Y104-T108 HydrophobicContact CE2-CG2 3.59Å; Y104-T108 HydrophobicContact CG-CG2 4.39Å; Y104-T108 WeakPolarHBondContact O-CB 3.3Å; Y104-T108 WeakPolarHBondContact O-CG2 3.34Å; Y104-T108 PolarHBondContact O-N 2.62Å; Y104-T108 PolarHBondContact O-OG1 3.29Å; G105-T108 PolarHBondContact O-OG1 3.05Å; T108-K110 PolarHBondContact O-N 2.87Å; T108-S111 PolarHBondContact O-OG 3.38Å; T108-S112 WeakPolarHBondContact O-CB 3.37Å; T108-S112 PolarHBondContact O-N 2.92Å; T108-S112 VanDerWaalsContact O-N 3.15Å; T108-S112 PolarHBondContact O-OG 2.89Å
109R71.8Confident63.3Low167 Ų16775.1 Ų75.163%0.6342%0.423SS*.Hα-helixtrans-68.5-17.2173.4-76.6-178-65.6-138-2114.5G105 I107G105-R109 WeakPolarHBondContact O-CB 3.44Å; G105-R109 VanDerWaalsContact O-CG 3.25Å; G105-R109 WeakPolarHBondContact O-CG 3.45Å; G105-R109 VanDerWaalsContact O-CZ 3.24Å; G105-R109 PolarHBondContact O-N 3.33Å; G105-R109 PolarHBondContact O-NE 3.41Å; G105-R109 PolarHBondContact O-NH2 3.19Å; I107-R109 VanDerWaalsContact C-N 3.35Å; I107-R109 PolarHBondContact O-N 3.15Å
110K63Low61.2Low103 Ų10380 Ų8045%0.44845%0.449SS..Hα-helixtrans-95.4-34.2177.5-77.5-178.5173.9-164.50112.6F46 K74 L75 S106 I107 T108F46-K110 HydrophobicContact CE1-CD 4.41Å; F46-K110 HydrophobicContact CZ-CD 3.86Å; K74-K110 PolarHBondContact O-NZ 2.9Å; L75-K110 HydrophobicContact CD2-CD 4.37Å; S106-K110 WeakPolarHBondContact O-CG 3.43Å; I107-K110 PolarHBondContact O-N 2.84Å; T108-K110 PolarHBondContact O-N 2.87Å
111S58.3Low58.9Low89 Ų8984.6 Ų84.662%0.62248%0.479SS*.Hα-helixtrans-72-31.7173.656.50000112.5I107 T108 G113I107-S111 PolarHBondContact O-N 2.95Å; I107-S111 PolarHBondContact O-OG 3.3Å; T108-S111 PolarHBondContact O-OG 3.38Å; S111-G113 PolarHBondContact O-N 3.11Å
112S53.8Low56.8Low75 Ų7590.3 Ų90.352%0.52451%0.508SS..  trans-79.666.5171.752.50000112.3T108 Q114T108-S112 WeakPolarHBondContact O-CB 3.37Å; T108-S112 PolarHBondContact O-N 2.92Å; T108-S112 VanDerWaalsContact O-N 3.15Å; T108-S112 PolarHBondContact O-OG 2.89Å; S112-Q114 PolarHBondContact O-N 3.29Å
113G41.7Very low54.7Low74 Ų7495.2 Ų95.276%0.76353%0.53SS*.  trans-65.911.5179.700000116.2S111S111-G113 PolarHBondContact O-N 3.11Å
114Q39.8Very low52.4Low182 Ų18299.7 Ų99.785%0.8555%0.554SS**SBendtrans-136.4138.8-177.7-67.7-169.912.100113.9S112 G116S112-Q114 PolarHBondContact O-N 3.29Å; Q114-G116 PolarHBondContact O-N 3.02Å
115L29.9Very low50.1Low187 Ų187102.8 Ų102.898%0.97957%0.571SS**  trans-36.4113.1164.8-170.279.5000113.8
116G29.5Very low47.8Very low73 Ų73106.4 Ų106.475%0.75360%0.595SS**  trans-172.7131.3173.600000113.2Q114Q114-G116 PolarHBondContact O-N 3.02Å
117S30.1Very low45.7Very low104 Ų104114.9 Ų114.973%0.72763%0.626SS**  trans-81165.5168.1-167.30000110.4
118D32.6Very low43.3Very low142 Ų142120.3 Ų120.376%0.75966%0.655SS**  trans93.4134.7157.6-47.9-26.7000118.6
119K38.9Very low41.1Very low208 Ų208123.3 Ų123.390%0.90468%0.676SS**SBendtrans85.241.6171-52.6-168.7-179.6-176.20120
120L40.2Very low39.1Very low106 Ų106121.2 Ų121.256%0.55567%0.673SS**SBendtrans-138.4135.9147.8-15369.8000111D122L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 3.45Å
121P37.4Very low37.6Very low97 Ų97124.8 Ų124.863%0.6369%0.691SS**  trans-7684.4-179.330.5-35.4000111.5K123 N124P121-K123 PolarHBondContact O-N 2.98Å; P121-N124 PolarHBondContact O-N 2.92Å
122D41.6Very low36.5Very low130 Ų130130.2 Ų130.270%0.69571%0.707SS**Hα-helixtrans-55.2-5.7179.2-128.45.7000115.1L120L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 3.45Å
123K41.7Very low35.9Very low179 Ų179135.4 Ų135.478%0.77872%0.723SS**Hα-helixtrans-79.8-25.9-176.1-62.2-178.1-180178.60114.3P121 S126P121-K123 PolarHBondContact O-N 2.98Å; K123-S126 PolarHBondContact O-OG 2.97Å
124N37.1Very low36.6Very low95 Ų95134.9 Ų134.951%0.50872%0.717SS.*Hα-helixtrans-88.2-33.8-179.8-74.65.1000112.1P121 S126 Y127P121-N124 PolarHBondContact O-N 2.92Å; N124-S126 VanDerWaalsContact C-N 3.3Å; N124-S126 PolarHBondContact O-N 3.24Å; N124-Y127 PolarHBondContact O-N 3.13Å
125L38.6Very low37.8Very low83 Ų83130 Ų13044%0.43570%0.697SS.*Hα-helixtrans-74.9-19.5-179.8-154.670.4000112.9
126S35Very low39.8Very low81 Ų81123 Ų12357%0.56666%0.663SS**THydrogen-bonded Turntrans-81.4-14.9175.565.80000114.5K123 N124K123-S126 PolarHBondContact O-OG 2.97Å; N124-S126 VanDerWaalsContact C-N 3.3Å; N124-S126 PolarHBondContact O-N 3.24Å
127Y34.5Very low42.4Very low197 Ų197123.9 Ų123.977%0.77365%0.653SS**SBendtrans-93.7-14.3-170.4-161.7-103.7000114.1N124N124-Y127 PolarHBondContact O-N 3.13Å
128L34.5Very low45Very low117 Ų117119.1 Ų119.161%0.61362%0.62SS**SBendtrans-100.214.7-176.4-61-180000114.3F97F97-L128 HydrophobicContact CE1-CD1 4.27Å
129C33.4Very low47.3Very low100 Ų100113.6 Ų113.668%0.67660%0.597SS**SBendtrans-1165.3-174.5-1620000114.1
130E29.6Very low49.5Very low124 Ų124106.6 Ų106.658%0.57957%0.569SS**  trans-13262.8-174.3-60.8-164.115900112.4Q587E130-Q587 PolarHBondContact OE2-NE2 2.88Å
131Q31.9Very low51.7Low177 Ų177104.4 Ų104.483%0.82756%0.562SS**SBendtrans-119.1104.3161.1-76.5-174.3-18.800110.1E133Q131-E133 VanDerWaalsContact C-N 3.27Å; Q131-E133 PolarHBondContact O-N 2.89Å
132E34.3Very low53.7Low203 Ų203102 Ų10295%0.94955%0.554SS**  trans43.520.4154.4-52.8-162.8147.500121.5G134E132-G134 PolarHBondContact O-N 2.73Å
133E42.1Very low55.6Low184 Ų184101.2 Ų101.286%0.8655%0.547SS*.PPolyproline II helixtrans-63.4118.4168.1-72.4-75.7139.400111.2Q131Q131-E133 VanDerWaalsContact C-N 3.27Å; Q131-E133 PolarHBondContact O-N 2.89Å
134G56.9Low57.3Low63 Ų6394.8 Ų94.865%0.64952%0.523SS*.PPolyproline II helixtrans-61.9166.4-175.600000114.7E132E132-G134 PolarHBondContact O-N 2.73Å
135L64.2Low59.1Low79 Ų7990.2 Ų90.241%0.41450%0.499SS..PPolyproline II helixtrans-56.2134.9176.6-86.392.2000110.5V137 P144 F146L135-V137 PolarHBondContact O-N 2.86Å; L135-P144 HydrophobicContact CB-CB 3.79Å; L135-P144 HydrophobicContact CD2-CB 4.25Å; L135-F146 HydrophobicContact CD2-CD1 3.77Å; L135-F146 HydrophobicContact CD2-CD2 4.05Å; L135-F146 HydrophobicContact CD2-CE1 3.8Å; L135-F146 HydrophobicContact CD2-CE2 4.05Å; L135-F146 HydrophobicContact CD2-CG 3.93Å; L135-F146 HydrophobicContact CD2-CZ 3.94Å
136P72.6Confident60.6Low41 Ų4187.7 Ų87.727%0.26648%0.484SS..PPolyproline II helixtrans-61.5127.9-179.625.1-32.9000109.8V145 N157P136-V145 WeakPolarHBondContact O-CA 3.48Å; P136-V145 VanDerWaalsContact O-CB 3.26Å; P136-V145 WeakPolarHBondContact O-CB 3.45Å; P136-V145 PolarHBondContact O-N 3.4Å; P136-N157 HydrophobicContact CB-CB 4.19Å; P136-N157 WeakPolarHBondContact CB-ND2 3.37Å
137V83.6Confident62.2Low92 Ų9289 Ų8956%0.55848%0.477SS*.BIsolated β-bridgetrans-83.8150.5-179.6-67.20000112.2L135L135-V137 PolarHBondContact O-N 2.86Å
138C83.7Confident63.7Low3 Ų380.6 Ų80.62%0.0245%0.446CS..PPolyproline II helixtrans-76.4124.2177.1179.90000110.5L140 C141 G142 E143 V145 N157 H159C138-L140 PolarHBondContact O-N 3.1Å; C138-C141 WeakPolarHBondContact CB-SG 3.45Å; C138-C141 VanDerWaalsContact SG-SG 3.62Å; C138-G142 WeakPolarHBondContact O-CA 3.34Å; C138-G142 PolarHBondContact O-N 2.68Å; C138-E143 WeakPolarHBondContact CB-O 3.25Å; C138-E143 PolarHBondContact N-O 3.03Å; C138-V145 HydrophobicContact CB-CG2 3.5Å; C138-V145 VanDerWaalsContact CB-CG2 3.5Å; C138-N157 CarbonylContact C-O 3.52Å; C138-N157 WeakPolarHBondContact CA-O 3.34Å; C138-H159 VanDerWaalsContact CB-CE1 3.41Å; C138-H159 WeakPolarHBondContact CB-CE1 3.25Å; C138-H159 VanDerWaalsContact CB-ND1 3.31Å; C138-H159 WeakPolarHBondContact CB-ND1 3.43Å; C138-H159 PolarHBondContact SG-ND1 3.39Å
139G82.2Confident65.4Low27 Ų2775.5 Ų75.528%0.27842%0.419SS..THydrogen-bonded Turntrans-66.15.8179.200000116.1N157G139-N157 PolarHBondContact N-O 3.18Å
140L84.3Confident67.3Low60 Ų6073.3 Ų73.331%0.31440%0.399SS..THydrogen-bonded Turntrans-119-56.2179.3-69166.7000112.5C138 Y158 C162 N166C138-L140 PolarHBondContact O-N 3.1Å; L140-Y158 HydrophobicContact CB-CD1 4.46Å; L140-Y158 HydrophobicContact CD1-CD1 3.68Å; L140-Y158 HydrophobicContact CD1-CE1 4.09Å; L140-Y158 HydrophobicContact CG-CD1 3.69Å; L140-Y158 HydrophobicContact CG-CE1 3.77Å; L140-C162 HydrophobicContact CB-CB 4.2Å; L140-C162 HydrophobicContact CD1-CB 4.03Å; L140-C162 VanDerWaalsContact CD1-O 3.26Å; L140-C162 WeakPolarHBondContact CD1-O 3.34Å; L140-N166 HydrophobicContact CD1-CB 3.64Å; L140-N166 HydrophobicContact CD2-CB 4.06Å; L140-N166 HydrophobicContact CG-CB 4.5Å
141C86Confident69.3Low61 Ų6169.8 Ų69.841%0.41238%0.383SS..THydrogen-bonded Turntrans-95.1-13.5179.962.90000114.5C138 E143 H159 C162C138-C141 WeakPolarHBondContact CB-SG 3.45Å; C138-C141 VanDerWaalsContact SG-SG 3.62Å; C141-E143 PolarHBondContact O-N 3.2Å; C141-H159 VanDerWaalsContact SG-CE1 3.53Å; C141-H159 PolarHBondContact SG-ND1 2.93Å; C141-H159 VanDerWaalsContact SG-ND1 3.38Å; C141-C162 VanDerWaalsContact SG-SG 3.69Å
142G80.6Confident71.3Confident46 Ų4665 Ų6547%0.47437%0.367SS..  trans80-14.1-177.600000115.7C138C138-G142 WeakPolarHBondContact O-CA 3.34Å; C138-G142 PolarHBondContact O-N 2.68Å
143E80.1Confident72.8Confident114 Ų11456.5 Ų56.553%0.53333%0.329SS..  trans-68.4152.8179.4-67.6-59.6142.800112.9C138 C141 V145C138-E143 WeakPolarHBondContact CB-O 3.25Å; C138-E143 PolarHBondContact N-O 3.03Å; C141-E143 PolarHBondContact O-N 3.2Å; E143-V145 PolarHBondContact O-N 3.23Å
144P78.9Confident74.1Confident43 Ų4353.6 Ų53.628%0.27931%0.313SS..BIsolated β-bridgetrans-64.4134.1176.126.3-32.7000111.3L135 H159 R464L135-P144 HydrophobicContact CB-CB 3.79Å; L135-P144 HydrophobicContact CD2-CB 4.25Å; P144-H159 PolarHBondContact O-NE2 3.42Å; P144-H159 VanDerWaalsContact O-NE2 3.08Å; P144-R464 PolarHBondContact O-NH1 2.7Å; P144-R464 PolarHBondContact O-NH2 2.9Å
145V73.9Confident74.6Confident0 Ų053.7 Ų53.70%030%0.304CS..  trans-97.6114.6177.5-174.20000107.8P136 C138 E143 E149 Q150P136-V145 WeakPolarHBondContact O-CA 3.48Å; P136-V145 VanDerWaalsContact O-CB 3.26Å; P136-V145 WeakPolarHBondContact O-CB 3.45Å; P136-V145 PolarHBondContact O-N 3.4Å; C138-V145 HydrophobicContact CB-CG2 3.5Å; C138-V145 VanDerWaalsContact CB-CG2 3.5Å; E143-V145 PolarHBondContact O-N 3.23Å; V145-E149 HydrophobicContact CG1-CB 4.11Å; V145-Q150 VanDerWaalsContact CG1-CA 3.44Å; V145-Q150 HydrophobicContact CG1-CB 3.88Å; V145-Q150 HydrophobicContact CG1-CG 4.34Å
146F70.8Confident75Confident29 Ų2955.3 Ų55.313%0.12731%0.305CS..  trans-73149.9174.1-74.4-102.4000109.5L135 V148 E149 Q150 R464 Q467L135-F146 HydrophobicContact CD2-CD1 3.77Å; L135-F146 HydrophobicContact CD2-CD2 4.05Å; L135-F146 HydrophobicContact CD2-CE1 3.8Å; L135-F146 HydrophobicContact CD2-CE2 4.05Å; L135-F146 HydrophobicContact CD2-CG 3.93Å; L135-F146 HydrophobicContact CD2-CZ 3.94Å; F146-V148 PolarHBondContact O-N 3.24Å; F146-E149 HydrophobicContact CB-CG 4.29Å; F146-E149 PolarHBondContact N-OE2 2.96Å; F146-E149 WeakPolarHBondContact O-CA 3.17Å; F146-E149 WeakPolarHBondContact O-CB 3.22Å; F146-E149 PolarHBondContact O-N 2.95Å; F146-Q150 PolarHBondContact O-N 3.42Å; F146-R464 HydrophobicContact CD2-CG 3.79Å; F146-R464 HydrophobicContact CE2-CG 3.81Å; F146-R464 VanDerWaalsContact CE2-CZ 3.44Å; F146-R464 HydrophobicContact CG-CG 4.32Å; F146-R464 HydrophobicContact CZ-CG 4.35Å; F146-Q467 HydrophobicContact CD1-CB 4.33Å; F146-Q467 HydrophobicContact CE1-CB 4.36Å
147R67.6Low75.1Confident110 Ų11054.9 Ų54.942%0.41530%0.3SS..THydrogen-bonded Turntrans-56.2-20.6-176.1-178.1169.6-69.2-73.2-3.2114.3I581R147-I581 HydrophobicContact CG-CG1 4.14Å
148V65.9Low74.8Confident20 Ų2050.6 Ų50.612%0.12127%0.274CS..THydrogen-bonded Turntrans-82.9-24.7174.4168.90000113.3F146 A463 W487 K494F146-V148 PolarHBondContact O-N 3.24Å; V148-A463 HydrophobicContact CB-CB 4.29Å; V148-A463 HydrophobicContact CG1-CB 3.69Å; V148-W487 HydrophobicContact CB-CH2 4.23Å; V148-W487 HydrophobicContact CG2-CH2 3.35Å; V148-W487 HydrophobicContact CG2-CZ2 3.64Å; V148-W487 HydrophobicContact CG2-CZ3 4.41Å; V148-K494 HydrophobicContact CG1-CD 4.18Å; V148-K494 PolarHBondContact O-NZ 3.32Å
149E70.6Confident74.5Confident10 Ų1051.1 Ų51.15%0.04728%0.276CS..THydrogen-bonded Turntrans-92-12176.8-51.6166.8155.900112.4V145 F146 L151 H159 E460 R464V145-E149 HydrophobicContact CG1-CB 4.11Å; F146-E149 HydrophobicContact CB-CG 4.29Å; F146-E149 PolarHBondContact N-OE2 2.96Å; F146-E149 WeakPolarHBondContact O-CA 3.17Å; F146-E149 WeakPolarHBondContact O-CB 3.22Å; F146-E149 PolarHBondContact O-N 2.95Å; E149-L151 PolarHBondContact O-N 2.67Å; E149-H159 IonicContact OE2-CD2 3.29Å; E149-H159 PolarHBondContact OE2-CD2 3.22Å; E149-H159 VanDerWaalsContact OE2-CD2 3.27Å; E149-H159 IonicContact OE2-NE2 3.46Å; E149-E460 HydrophobicContact CG-CB 4.17Å; E149-E460 HydrophobicContact CG-CG 4.41Å; E149-R464 WeakPolarHBondContact OE1-CD 3.39Å; E149-R464 IonicContact OE1-CZ 3.05Å; E149-R464 IonicContact OE1-NH1 2.67Å; E149-R464 PolarHBondContact OE1-NH1 2.78Å; E149-R464 IonicContact OE2-CZ 2.6Å; E149-R464 IonicContact OE2-NH1 3.42Å; E149-R464 PolarHBondContact OE2-NH1 2.96Å
150Q74.1Confident74.2Confident54 Ų5451.3 Ų51.325%0.25227%0.268SS..EExtended strand (participates in β ladder)trans-6699.4-169.2-171.3179.35.400112.7V145 F146 N157V145-Q150 VanDerWaalsContact CG1-CA 3.44Å; V145-Q150 HydrophobicContact CG1-CB 3.88Å; V145-Q150 HydrophobicContact CG1-CG 4.34Å; F146-Q150 PolarHBondContact O-N 3.42Å; Q150-N157 HydrophobicContact CG-CB 4.39Å; Q150-N157 WeakPolarHBondContact CG-OD1 3.34Å; Q150-N157 PolarHBondContact NE2-OD1 3.42Å
151L71.3Confident74Confident49 Ų4950.1 Ų50.126%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-94.5110.5163.7-175.267.2000108.8E149 V153 Y158 Y163E149-L151 PolarHBondContact O-N 2.67Å; L151-V153 HydrophobicContact CD2-CG2 4.18Å; L151-V153 HydrophobicContact CG-CG2 3.91Å; L151-Y158 WeakPolarHBondContact CB-O 3.28Å; L151-Y158 PolarHBondContact N-O 2.95Å; L151-Y158 PolarHBondContact O-N 2.8Å; L151-Y163 HydrophobicContact CD2-CD1 3.52Å; L151-Y163 HydrophobicContact CD2-CE1 4.26Å; L151-Y163 HydrophobicContact CD2-CG 3.69Å
152T72.9Confident73.8Confident77 Ų7748.6 Ų48.647%0.47226%0.255SS..EExtended strand (participates in β ladder)trans-93.8121.5175.4-52.60000109.8R156 N157T152-R156 CarbonylContact C-O 3.46Å; T152-R156 VanDerWaalsContact CA-O 3.32Å; T152-R156 WeakPolarHBondContact CA-O 3.36Å; T152-N157 PolarHBondContact OG1-OD1 2.74Å
153V67.5Low73.8Confident25 Ų2547.8 Ų47.815%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-134.6126.1177.6-170.30000107.9L151 S155 R156 Y158 Y163L151-V153 HydrophobicContact CD2-CG2 4.18Å; L151-V153 HydrophobicContact CG-CG2 3.91Å; V153-S155 PolarHBondContact O-N 2.89Å; V153-R156 PolarHBondContact N-O 2.88Å; V153-R156 PolarHBondContact O-N 2.9Å; V153-Y158 HydrophobicContact CB-CD2 4.18Å; V153-Y158 HydrophobicContact CB-CE2 4.02Å; V153-Y158 HydrophobicContact CG2-CD2 4.27Å; V153-Y163 HydrophobicContact CB-CE2 4.19Å; V153-Y163 HydrophobicContact CG1-CE2 4.14Å; V153-Y163 HydrophobicContact CG2-CD2 4.25Å; V153-Y163 HydrophobicContact CG2-CE1 4.43Å; V153-Y163 HydrophobicContact CG2-CE2 3.9Å
154F69.2Low73.8Confident123 Ų12344 Ų4454%0.53922%0.219SC..THydrogen-bonded Turntrans45.849.4-172.4-55.3-64.2000112.3R156 P229F154-R156 PolarHBondContact O-N 3.19Å; F154-P229 HydrophobicContact CZ-CG 4.43Å
155S66.1Low73.9Confident64 Ų6445.8 Ų45.845%0.44823%0.225SC..THydrogen-bonded Turntrans560.5-176.4-60.70000117.5E72 V153E72-S155 VanDerWaalsContact CD-OG 3.26Å; E72-S155 WeakPolarHBondContact OE1-CB 3.38Å; E72-S155 PolarHBondContact OE1-OG 3.05Å; V153-S155 PolarHBondContact O-N 2.89Å
156R73.2Confident74.4Confident114 Ų11447.5 Ų47.543%0.4324%0.235SC..EExtended strand (participates in β ladder)trans-88.1144.4169.9-67.2-178.8179.6-176.33109.9T152 V153 F154 Y158T152-R156 CarbonylContact C-O 3.46Å; T152-R156 VanDerWaalsContact CA-O 3.32Å; T152-R156 WeakPolarHBondContact CA-O 3.36Å; V153-R156 PolarHBondContact N-O 2.88Å; V153-R156 PolarHBondContact O-N 2.9Å; F154-R156 PolarHBondContact O-N 3.19Å; R156-Y158 HydrophobicContact CB-CD2 4.48Å; R156-Y158 HydrophobicContact CB-CE2 3.58Å; R156-Y158 WeakPolarHBondContact CB-OH 3.17Å; R156-Y158 WeakPolarHBondContact CD-OH 3.36Å
157N74.7Confident74.7Confident32 Ų3247.2 Ų47.217%0.17123%0.234CC..EExtended strand (participates in β ladder)trans-96.7140178-61.1-59.5000109.9P136 C138 G139 Q150 T152P136-N157 HydrophobicContact CB-CB 4.19Å; P136-N157 WeakPolarHBondContact CB-ND2 3.37Å; C138-N157 CarbonylContact C-O 3.52Å; C138-N157 WeakPolarHBondContact CA-O 3.34Å; G139-N157 PolarHBondContact N-O 3.18Å; Q150-N157 HydrophobicContact CG-CB 4.39Å; Q150-N157 WeakPolarHBondContact CG-OD1 3.34Å; Q150-N157 PolarHBondContact NE2-OD1 3.42Å; T152-N157 PolarHBondContact OG1-OD1 2.74Å
158Y76.6Confident75.2Confident1 Ų143.8 Ų43.80%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-138.6151178.6-55.9-79.7000109.2L140 L151 V153 R156 Y163L140-Y158 HydrophobicContact CB-CD1 4.46Å; L140-Y158 HydrophobicContact CD1-CD1 3.68Å; L140-Y158 HydrophobicContact CD1-CE1 4.09Å; L140-Y158 HydrophobicContact CG-CD1 3.69Å; L140-Y158 HydrophobicContact CG-CE1 3.77Å; L151-Y158 WeakPolarHBondContact CB-O 3.28Å; L151-Y158 PolarHBondContact N-O 2.95Å; L151-Y158 PolarHBondContact O-N 2.8Å; V153-Y158 HydrophobicContact CB-CD2 4.18Å; V153-Y158 HydrophobicContact CB-CE2 4.02Å; V153-Y158 HydrophobicContact CG2-CD2 4.27Å; R156-Y158 HydrophobicContact CB-CD2 4.48Å; R156-Y158 HydrophobicContact CB-CE2 3.58Å; R156-Y158 WeakPolarHBondContact CB-OH 3.17Å; R156-Y158 WeakPolarHBondContact CD-OH 3.36Å; Y158-Y163 HydrophobicContact CD2-CD2 4.03Å; Y158-Y163 HydrophobicContact CE2-CD2 4.43Å; Y158-Y163 HydrophobicContact CG-CD2 4.15Å
159H79.1Confident75.8Confident15 Ų1545.1 Ų45.17%0.06924%0.236CC..EExtended strand (participates in β ladder)trans-68.3141.7159-53.499.6000108.8C138 C141 P144 E149 S161 C162 Y163C138-H159 VanDerWaalsContact CB-CE1 3.41Å; C138-H159 WeakPolarHBondContact CB-CE1 3.25Å; C138-H159 VanDerWaalsContact CB-ND1 3.31Å; C138-H159 WeakPolarHBondContact CB-ND1 3.43Å; C138-H159 PolarHBondContact SG-ND1 3.39Å; C141-H159 VanDerWaalsContact SG-CE1 3.53Å; C141-H159 PolarHBondContact SG-ND1 2.93Å; C141-H159 VanDerWaalsContact SG-ND1 3.38Å; P144-H159 PolarHBondContact O-NE2 3.42Å; P144-H159 VanDerWaalsContact O-NE2 3.08Å; E149-H159 IonicContact OE2-CD2 3.29Å; E149-H159 PolarHBondContact OE2-CD2 3.22Å; E149-H159 VanDerWaalsContact OE2-CD2 3.27Å; E149-H159 IonicContact OE2-NE2 3.46Å; H159-S161 PolarHBondContact O-N 3.01Å; H159-C162 HydrophobicContact CB-CB 4.17Å; H159-C162 PolarHBondContact O-N 2.9Å; H159-C162 VanDerWaalsContact O-N 3.16Å; H159-Y163 PolarHBondContact O-N 3.26Å
160R75.1Confident75.9Confident30 Ų3048.6 Ų48.611%0.11325%0.25CC..Hα-helixtrans-54.6-36.7176.2-172.9173.3172.7-75.1-7.4112R164 N453 E460 E501R160-R164 WeakPolarHBondContact O-CB 3.34Å; R160-R164 PolarHBondContact O-N 3.11Å; R160-N453 PolarHBondContact NH1-O 3.39Å; R160-N453 PolarHBondContact NH1-OD1 2.84Å; R160-N453 PolarHBondContact NH2-OD1 3.3Å; R160-E460 WeakPolarHBondContact CD-OE1 3.33Å; R160-E501 IonicContact CZ-OE1 3.47Å; R160-E501 IonicContact NH2-OE1 3.77Å; R160-E501 PolarHBondContact NH2-OE1 3.34Å
161S79.8Confident75.8Confident35 Ų3546.3 Ų46.325%0.24524%0.239CC..Hα-helixtrans-63.9-58171.749.10000112.9H159 Y163 R164 D165H159-S161 PolarHBondContact O-N 3.01Å; S161-Y163 VanDerWaalsContact C-N 3.28Å; S161-Y163 PolarHBondContact O-N 3.05Å; S161-R164 VanDerWaalsContact CB-NH2 3.34Å; S161-R164 WeakPolarHBondContact O-CB 3.42Å; S161-R164 PolarHBondContact O-N 2.88Å; S161-R164 VanDerWaalsContact O-N 3.14Å; S161-D165 WeakPolarHBondContact O-CB 3.43Å; S161-D165 PolarHBondContact O-N 3.41Å
162C83.1Confident76Confident30 Ų3048.9 Ų48.920%0.20325%0.248CC..Hα-helixtrans-57-40.9-178.3-63.80000112.6L140 C141 H159 D165 N166L140-C162 HydrophobicContact CB-CB 4.2Å; L140-C162 HydrophobicContact CD1-CB 4.03Å; L140-C162 VanDerWaalsContact CD1-O 3.26Å; L140-C162 WeakPolarHBondContact CD1-O 3.34Å; C141-C162 VanDerWaalsContact SG-SG 3.69Å; H159-C162 HydrophobicContact CB-CB 4.17Å; H159-C162 PolarHBondContact O-N 2.9Å; H159-C162 VanDerWaalsContact O-N 3.16Å; C162-D165 PolarHBondContact O-N 3.01Å; C162-N166 VanDerWaalsContact O-CB 3.25Å; C162-N166 WeakPolarHBondContact O-CB 3.19Å; C162-N166 PolarHBondContact O-N 3.39Å
163Y80Confident76.2Confident29 Ų2950 Ų5011%0.11425%0.248CC..Hα-helixtrans-63.4-48.2177.4-173.6-101000112L151 V153 Y158 H159 S161 D165 N166 Q167L151-Y163 HydrophobicContact CD2-CD1 3.52Å; L151-Y163 HydrophobicContact CD2-CE1 4.26Å; L151-Y163 HydrophobicContact CD2-CG 3.69Å; V153-Y163 HydrophobicContact CB-CE2 4.19Å; V153-Y163 HydrophobicContact CG1-CE2 4.14Å; V153-Y163 HydrophobicContact CG2-CD2 4.25Å; V153-Y163 HydrophobicContact CG2-CE1 4.43Å; V153-Y163 HydrophobicContact CG2-CE2 3.9Å; Y158-Y163 HydrophobicContact CD2-CD2 4.03Å; Y158-Y163 HydrophobicContact CE2-CD2 4.43Å; Y158-Y163 HydrophobicContact CG-CD2 4.15Å; H159-Y163 PolarHBondContact O-N 3.26Å; S161-Y163 VanDerWaalsContact C-N 3.28Å; S161-Y163 PolarHBondContact O-N 3.05Å; Y163-D165 PolarHBondContact O-N 3.46Å; Y163-N166 PolarHBondContact O-N 2.93Å; Y163-Q167 HydrophobicContact CD1-CG 4.39Å; Y163-Q167 HydrophobicContact CE1-CG 4.07Å; Y163-Q167 WeakPolarHBondContact O-CG 3.47Å; Y163-Q167 PolarHBondContact O-N 3.49Å; Y163-Q167 PolarHBondContact OH-NE2 3.4Å
164R79.4Confident76.5Confident35 Ų3553.6 Ų53.613%0.13226%0.259CS..Hα-helixtrans-55-50.6173.4163.2-175.875.8-146.12.1111.9R160 S161 N166 Q167 L168 L374 N453 S457R160-R164 WeakPolarHBondContact O-CB 3.34Å; R160-R164 PolarHBondContact O-N 3.11Å; S161-R164 VanDerWaalsContact CB-NH2 3.34Å; S161-R164 WeakPolarHBondContact O-CB 3.42Å; S161-R164 PolarHBondContact O-N 2.88Å; S161-R164 VanDerWaalsContact O-N 3.14Å; R164-N166 VanDerWaalsContact C-N 3.31Å; R164-N166 PolarHBondContact O-N 2.9Å; R164-Q167 WeakPolarHBondContact O-CB 3.49Å; R164-Q167 PolarHBondContact O-N 2.97Å; R164-L168 WeakPolarHBondContact O-CB 3.44Å; R164-L168 PolarHBondContact O-N 3.44Å; R164-L374 HydrophobicContact CB-CD1 4.27Å; R164-L374 HydrophobicContact CB-CD2 3.6Å; R164-L374 HydrophobicContact CG-CD1 3.72Å; R164-L374 HydrophobicContact CG-CD2 3.53Å; R164-L374 HydrophobicContact CG-CG 4.16Å; R164-L374 WeakPolarHBondContact O-CD1 3.48Å; R164-N453 WeakPolarHBondContact CD-OD1 3.46Å; R164-N453 PolarHBondContact NH1-ND2 2.97Å; R164-N453 PolarHBondContact NH1-OD1 2.9Å; R164-S457 PolarHBondContact NH1-OG 3.38Å
165D81.7Confident76.6Confident79 Ų7951.1 Ų51.142%0.42225%0.251SS..Hα-helixtrans-71.4-32.6-171.6-55.1-21.6000110.3S161 C162 Y163 A169S161-D165 WeakPolarHBondContact O-CB 3.43Å; S161-D165 PolarHBondContact O-N 3.41Å; C162-D165 PolarHBondContact O-N 3.01Å; Y163-D165 PolarHBondContact O-N 3.46Å; D165-A169 WeakPolarHBondContact O-CB 3.32Å; D165-A169 PolarHBondContact O-N 3.43Å
166N84.2Confident77Confident36 Ų3654.6 Ų54.619%0.19326%0.258CS..Hα-helixtrans-68.3-40.3169.9170.872.6000113.4L140 C162 Y163 R164 A169 Y170L140-N166 HydrophobicContact CD1-CB 3.64Å; L140-N166 HydrophobicContact CD2-CB 4.06Å; L140-N166 HydrophobicContact CG-CB 4.5Å; C162-N166 VanDerWaalsContact O-CB 3.25Å; C162-N166 WeakPolarHBondContact O-CB 3.19Å; C162-N166 PolarHBondContact O-N 3.39Å; Y163-N166 PolarHBondContact O-N 2.93Å; R164-N166 VanDerWaalsContact C-N 3.31Å; R164-N166 PolarHBondContact O-N 2.9Å; N166-A169 PolarHBondContact O-N 2.94Å; N166-Y170 PolarHBondContact O-N 3.38Å
167Q76.4Confident76.9Confident24 Ų2453.1 Ų53.111%0.11226%0.262CS..Hα-helixtrans-58-56.4170.2-76.2-179.3-4200109.3Y163 R164 A169 Y170 L171 L374Y163-Q167 HydrophobicContact CD1-CG 4.39Å; Y163-Q167 HydrophobicContact CE1-CG 4.07Å; Y163-Q167 WeakPolarHBondContact O-CG 3.47Å; Y163-Q167 PolarHBondContact O-N 3.49Å; Y163-Q167 PolarHBondContact OH-NE2 3.4Å; R164-Q167 WeakPolarHBondContact O-CB 3.49Å; R164-Q167 PolarHBondContact O-N 2.97Å; Q167-A169 PolarHBondContact O-N 3.37Å; Q167-A169 VanDerWaalsContact O-N 3.11Å; Q167-Y170 WeakPolarHBondContact O-CB 3.37Å; Q167-Y170 PolarHBondContact O-N 3.47Å; Q167-L171 VanDerWaalsContact O-CD1 3.24Å; Q167-L171 WeakPolarHBondContact O-CD1 3.38Å; Q167-L171 PolarHBondContact O-N 2.85Å; Q167-L374 HydrophobicContact CB-CD1 4.11Å
168L78.1Confident76.2Confident38 Ų3855.5 Ų55.520%0.19927%0.274CS..Hα-helixtrans-52.5-38.3179.4-15580.8000112.6R164 K172 I371 D373 L374R164-L168 WeakPolarHBondContact O-CB 3.44Å; R164-L168 PolarHBondContact O-N 3.44Å; L168-K172 WeakPolarHBondContact O-CG 3.24Å; L168-K172 PolarHBondContact O-N 3Å; L168-I371 HydrophobicContact CD1-CB 4.1Å; L168-I371 HydrophobicContact CD1-CG2 3.46Å; L168-I371 VanDerWaalsContact CD1-CG2 3.46Å; L168-I371 HydrophobicContact CG-CB 4.35Å; L168-I371 HydrophobicContact CG-CG2 3.98Å; L168-D373 HydrophobicContact CD1-CB 4.48Å; L168-L374 HydrophobicContact CD1-CD1 4.29Å
169A78Confident75.4Confident47 Ų4763 Ų6339%0.38831%0.307SS..Hα-helixtrans-68-43.9176.300000113.1D165 N166 Q167 L171 K172 E173D165-A169 WeakPolarHBondContact O-CB 3.32Å; D165-A169 PolarHBondContact O-N 3.43Å; N166-A169 PolarHBondContact O-N 2.94Å; Q167-A169 PolarHBondContact O-N 3.37Å; Q167-A169 VanDerWaalsContact O-N 3.11Å; A169-L171 PolarHBondContact O-N 2.98Å; A169-L171 VanDerWaalsContact O-N 3.11Å; A169-K172 PolarHBondContact O-N 3.35Å; A169-E173 PolarHBondContact O-N 2.91Å; A169-E173 VanDerWaalsContact O-N 3.15Å
170Y73.5Confident74.4Confident83 Ų8367.4 Ų67.433%0.32533%0.331SS..Hα-helixtrans-53.8-31.5176.4176.5-105.8000112.8N166 Q167 E173 R174 L228N166-Y170 PolarHBondContact O-N 3.38Å; Q167-Y170 WeakPolarHBondContact O-CB 3.37Å; Q167-Y170 PolarHBondContact O-N 3.47Å; Y170-E173 WeakPolarHBondContact O-CB 3.46Å; Y170-R174 WeakPolarHBondContact O-CB 3.31Å; Y170-R174 PolarHBondContact O-N 2.89Å; Y170-L228 HydrophobicContact CD1-CD1 3.86Å; Y170-L228 HydrophobicContact CD1-CG 4.44Å; Y170-L228 HydrophobicContact CE1-CD1 3.4Å; Y170-L228 HydrophobicContact CE1-CG 4.25Å
171L71.2Confident73.4Confident7 Ų769.5 Ų69.54%0.03735%0.351CS..Hα-helixtrans-96.5-28.6-171.7-63.2143.5000112.9Q167 A169 E173 R174 N175 L377Q167-L171 VanDerWaalsContact O-CD1 3.24Å; Q167-L171 WeakPolarHBondContact O-CD1 3.38Å; Q167-L171 PolarHBondContact O-N 2.85Å; A169-L171 PolarHBondContact O-N 2.98Å; A169-L171 VanDerWaalsContact O-N 3.11Å; L171-E173 PolarHBondContact O-N 2.75Å; L171-R174 PolarHBondContact O-N 3.29Å; L171-N175 WeakPolarHBondContact O-CB 3.16Å; L171-N175 PolarHBondContact O-N 3.48Å; L171-N175 PolarHBondContact O-ND2 3.43Å; L171-L377 HydrophobicContact CB-CD2 4.43Å; L171-L377 HydrophobicContact CD1-CD1 3.03Å; L171-L377 HydrophobicContact CD1-CD2 3.09Å; L171-L377 HydrophobicContact CD1-CG 3.57Å; L171-L377 HydrophobicContact CD2-CD2 3.43Å; L171-L377 VanDerWaalsContact CD2-CD2 3.43Å; L171-L377 HydrophobicContact CG-CD1 4.43Å; L171-L377 HydrophobicContact CG-CD2 3.76Å
172K76.9Confident71.9Confident102 Ų10274.4 Ų74.444%0.44337%0.374SS..Hα-helixtrans-55.1-41.5160.6-69.1175.5-155.5-165.20110.3L168 A169 K176 I371L168-K172 WeakPolarHBondContact O-CG 3.24Å; L168-K172 PolarHBondContact O-N 3Å; A169-K172 PolarHBondContact O-N 3.35Å; K172-K176 VanDerWaalsContact O-CB 3.3Å; K172-K176 WeakPolarHBondContact O-CB 3.47Å; K172-K176 PolarHBondContact O-N 3.15Å; K172-I371 HydrophobicContact CD-CD1 3.85Å; K172-I371 HydrophobicContact CD-CG1 4.18Å; K172-I371 VanDerWaalsContact CE-CD1 3.47Å; K172-I371 HydrophobicContact CG-CD1 3.76Å; K172-I371 HydrophobicContact CG-CG1 3.66Å
173E76.8Confident69.6Low102 Ų10278 Ų7848%0.47740%0.398SS..Hα-helixtrans-68.5-51.3177.5-168.6172.6-167.200111.9A169 Y170 L171 N175 K176 T177 R225A169-E173 PolarHBondContact O-N 2.91Å; A169-E173 VanDerWaalsContact O-N 3.15Å; Y170-E173 WeakPolarHBondContact O-CB 3.46Å; L171-E173 PolarHBondContact O-N 2.75Å; E173-N175 PolarHBondContact O-N 3.44Å; E173-K176 WeakPolarHBondContact O-CB 3.42Å; E173-K176 PolarHBondContact O-N 2.94Å; E173-T177 PolarHBondContact O-N 3.31Å; E173-T177 PolarHBondContact O-OG1 3.16Å; E173-R225 IonicContact OE1-NH2 3.66Å; E173-R225 IonicContact OE2-CZ 2.7Å; E173-R225 IonicContact OE2-NH1 2.78Å; E173-R225 IonicContact OE2-NH2 3.45Å; E173-R225 PolarHBondContact OE2-NH2 2.98Å
174R73.1Confident67.8Low100 Ų10081.6 Ų81.638%0.37743%0.428SS..Hα-helixtrans-60.4-41.4175.7-177.7177.5172.3173.6-3.1113.4Y170 L171 K176 T177 L178Y170-R174 WeakPolarHBondContact O-CB 3.31Å; Y170-R174 PolarHBondContact O-N 2.89Å; L171-R174 PolarHBondContact O-N 3.29Å; R174-K176 VanDerWaalsContact C-N 3.3Å; R174-T177 PolarHBondContact O-N 2.85Å; R174-T177 PolarHBondContact O-OG1 3.13Å; R174-L178 HydrophobicContact CG-CD1 3.99Å; R174-L178 WeakPolarHBondContact O-CB 3.47Å; R174-L178 VanDerWaalsContact O-CG 3.32Å; R174-L178 WeakPolarHBondContact O-CG 3.41Å; R174-L178 PolarHBondContact O-N 3.35Å
175N71.7Confident65.8Low70 Ų7087.8 Ų87.837%0.37446%0.464SS..Hα-helixtrans-72.4-26.7178.4-68.9-21000111.8L171 E173 K179L171-N175 WeakPolarHBondContact O-CB 3.16Å; L171-N175 PolarHBondContact O-N 3.48Å; L171-N175 PolarHBondContact O-ND2 3.43Å; E173-N175 PolarHBondContact O-N 3.44Å; N175-K179 WeakPolarHBondContact O-CB 3.39Å; N175-K179 PolarHBondContact O-N 3.11Å
176K75.6Confident63.3Low137 Ų13787 Ų8760%0.59647%0.474SS*.Hα-helixtrans-67.8-50.9169.4-173.5-177.5176.2-171.40110.7K172 E173 R174 L178 K179 D180K172-K176 VanDerWaalsContact O-CB 3.3Å; K172-K176 WeakPolarHBondContact O-CB 3.47Å; K172-K176 PolarHBondContact O-N 3.15Å; E173-K176 WeakPolarHBondContact O-CB 3.42Å; E173-K176 PolarHBondContact O-N 2.94Å; R174-K176 VanDerWaalsContact C-N 3.3Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 2.98Å; K176-K179 PolarHBondContact O-N 3.21Å; K176-D180 VanDerWaalsContact O-CG 3.3Å; K176-D180 PolarHBondContact O-N 3.07Å
177T69.5Low60.9Low84 Ų8491.8 Ų91.852%0.51551%0.507SS..Hα-helixtrans-62.1-36.5179.855.80000112.9E173 R174 K179 D180 S181E173-T177 PolarHBondContact O-N 3.31Å; E173-T177 PolarHBondContact O-OG1 3.16Å; R174-T177 PolarHBondContact O-N 2.85Å; R174-T177 PolarHBondContact O-OG1 3.13Å; T177-K179 VanDerWaalsContact C-N 3.32Å; T177-K179 PolarHBondContact O-N 3.32Å; T177-D180 PolarHBondContact O-N 3.05Å; T177-S181 WeakPolarHBondContact O-CB 3.37Å; T177-S181 PolarHBondContact O-N 2.91Å; T177-S181 PolarHBondContact O-OG 3.18Å
178L61.3Low58.8Low81 Ų8196.5 Ų96.542%0.42454%0.538SS..Hα-helixtrans-67.4-29.1173.2-74165.8000113.7R174 K176 S181R174-L178 HydrophobicContact CG-CD1 3.99Å; R174-L178 WeakPolarHBondContact O-CB 3.47Å; R174-L178 VanDerWaalsContact O-CG 3.32Å; R174-L178 WeakPolarHBondContact O-CG 3.41Å; R174-L178 PolarHBondContact O-N 3.35Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 2.98Å; L178-S181 WeakPolarHBondContact CA-OG 3.49Å; L178-S181 PolarHBondContact O-OG 3.06Å; L178-S181 VanDerWaalsContact O-OG 3.14Å
179K59.6Low56.5Low160 Ų160102.9 Ų102.970%0.69657%0.571SS**Hα-helixtrans-78.1-39.5176.7-165.6172.4-174.81800111.2N175 K176 T177 S181 N182N175-K179 WeakPolarHBondContact O-CB 3.39Å; N175-K179 PolarHBondContact O-N 3.11Å; K176-K179 PolarHBondContact O-N 3.21Å; T177-K179 VanDerWaalsContact C-N 3.32Å; T177-K179 PolarHBondContact O-N 3.32Å; K179-S181 VanDerWaalsContact C-N 3.33Å; K179-N182 PolarHBondContact O-N 3.35Å
180D57.5Low54.3Low106 Ų106105.5 Ų105.557%0.56758%0.582SS**Hα-helixtrans-69.6-30.3177.1-61.6-18.9000111.4K176 T177K176-D180 VanDerWaalsContact O-CG 3.3Å; K176-D180 PolarHBondContact O-N 3.07Å; T177-D180 PolarHBondContact O-N 3.05Å
181S54.4Low52.1Low75 Ų75111.2 Ų111.252%0.52461%0.609SS.*THydrogen-bonded Turntrans-77.7-15176.466.60000115.4T177 L178 K179T177-S181 WeakPolarHBondContact O-CB 3.37Å; T177-S181 PolarHBondContact O-N 2.91Å; T177-S181 PolarHBondContact O-OG 3.18Å; L178-S181 WeakPolarHBondContact CA-OG 3.49Å; L178-S181 PolarHBondContact O-OG 3.06Å; L178-S181 VanDerWaalsContact O-OG 3.14Å; K179-S181 VanDerWaalsContact C-N 3.33Å
182N48.5Very low50.2Low137 Ų137120 Ų12073%0.73365%0.647SS**THydrogen-bonded Turntrans-93.114.2-176.2-82.9-5.5000113.8K179K179-N182 PolarHBondContact O-N 3.35Å
183C33.9Very low47.8Very low106 Ų106120 Ų12072%0.71666%0.66SS**SBendtrans-129.751.8179-64.50000112.7
184S42.1Very low45.3Very low105 Ų105124.5 Ų124.573%0.73468%0.681SS**SBendtrans-158.4113.9162.4-72.90000111.1
185D37.5Very low43.3Very low165 Ų165123.8 Ų123.888%0.88270%0.697SS**  trans32.5119.6154.8-54.7-28.1000122.3
186G30.6Very low41.1Very low63 Ų63128.7 Ų128.765%0.64972%0.723SS**  63.5112.1129.400000120T188G186-T188 PolarHBondContact O-N 3.29Å; G186-T188 VanDerWaalsContact O-N 3.07Å
187P32.9Very low39Very low136 Ų136127.3 Ų127.388%0.88373%0.73SS**  trans-73.6106.5-178.431.1-34.3000112.2
188T33.2Very low36.9Very low122 Ų122132.8 Ų132.875%0.74875%0.747SS**  trans-93.7109.6162.6-58.20000109.5G186 T190G186-T188 PolarHBondContact O-N 3.29Å; G186-T188 VanDerWaalsContact O-N 3.07Å; T188-T190 PolarHBondContact O-N 3.09Å; T188-T190 VanDerWaalsContact O-N 3.11Å
189L28Very low35.4Very low173 Ų173135.1 Ų135.191%0.90677%0.767SS**  trans-65.1101.5174.1-103.4161.6000110.8
190T31.6Very low33.8Very low101 Ų101133 Ų13362%0.6277%0.768SS**  trans-125.2115.9162.440.40000110.7T188 F192T188-T190 PolarHBondContact O-N 3.09Å; T188-T190 VanDerWaalsContact O-N 3.11Å; T190-F192 PolarHBondContact O-N 3.38Å
191K29.3Very low32.3Very low203 Ų203138.4 Ų138.488%0.88378%0.78SS**  trans-56.4127.1172.8-63.9169.5176.2176.60109.3
192F29.9Very low31.2Very low192 Ų192145 Ų14584%0.84280%0.8SS**  trans-120.3110159.7-85.6-80.2000110.1T190T190-F192 PolarHBondContact O-N 3.38Å
193S27.2Very low30.2Very low102 Ų102143.2 Ų143.271%0.71380%0.798SS**  trans-65.4160.917444.40000112.4A195S193-A195 PolarHBondContact O-N 3.4Å
194E23.9Very low30.3Very low197 Ų197143.7 Ų143.792%0.92180%0.803SS**  trans-52.9127.2174.8-61.4135.5125.900112.1
195A30.7Very low29.8Very low85 Ų85147.2 Ų147.270%0.70281%0.808SS**  trans-152.996.516600000110.4S193 S197S193-A195 PolarHBondContact O-N 3.4Å; A195-S197 PolarHBondContact O-N 3.33Å
196N25.7Very low29.7Very low172 Ų172147.6 Ų147.692%0.9280%0.802SS**  trans-60.2118.2163.3-80.7-40.9000109.3
197S31.3Very low29.8Very low108 Ų108151 Ų15176%0.75580%0.801SS**  trans-155.2105.8172.8-790000112.3A195A195-S197 PolarHBondContact O-N 3.33Å
198F25.1Very low29.9Very low200 Ų200150.7 Ų150.788%0.87779%0.791SS**  trans-72.4129.6165.6-74.8-100.1000110T200F198-T200 PolarHBondContact O-N 2.97Å
199P30.5Very low29.8Very low130 Ų130151.3 Ų151.384%0.84479%0.789SS**  trans-85.2108167.830.2-27.7000110.5
200T25.6Very low30Very low116 Ų116149 Ų14971%0.71278%0.783SS**  trans-103.3127171.7-63.40000110.5F198F198-T200 PolarHBondContact O-N 2.97Å
201R27.1Very low30Very low218 Ų218150.4 Ų150.482%0.82379%0.791SS**  trans51.8128.4164.4-75.4178.5169.5164-2.9118.8
202F30.6Very low30.3Very low213 Ų213146 Ų14693%0.93479%0.786SS**  -126.4147.3122-104.8-87.3000109.8
203S26.9Very low30.4Very low100 Ų100142.6 Ų142.670%0.69978%0.776SS**  trans-140.1128.7-179.1174.50000108
204S36Very low30.5Very low116 Ų116146.8 Ų146.881%0.81178%0.782SS**  trans-134.8135.2174.2-61.30000109.3
205Q31.6Very low30.7Very low180 Ų180147 Ų14784%0.84178%0.78SS**  trans-97.9178.8-174.7-64.5173-63.900112.3
206K35.4Very low30.7Very low173 Ų173154.5 Ų154.575%0.75279%0.79SS**  trans86.9141.6173.3-62.3175.7155-101.50115.7
207E33.3Very low30.9Very low134 Ų134154.3 Ų154.363%0.62678%0.783SS**  cis-159.2156.5-11-119.6167.3144.400110.9
208L34.3Very low30.7Very low130 Ų130154.3 Ų154.368%0.68178%0.783SS**  trans58.8119.9149.2-63.8157.2000122.6
209D30.9Very low30.9Very low134 Ų134151 Ų15172%0.71778%0.779SS**  trans61.1115130.2-54.1-10.1000122.5
210T33Very low30.9Very low126 Ų126155.6 Ų155.677%0.77378%0.78SS**  170.3126.694.4-64.30000112.4
211V31.8Very low31.2Very low130 Ų130159.5 Ų159.579%0.78879%0.787SS**  trans5121.2151.9-171.90000119.1
212S35.7Very low31.4Very low111 Ų111154.4 Ų154.478%0.77678%0.782SS**  -177.4150103.7-158.10000116.2
213N31Very low31.8Very low119 Ų119148.5 Ų148.564%0.63677%0.765SS**  trans-39.6136.9-177.7-81.7-75.6000121.8
214K29.8Very low32.6Very low191 Ų191148.1 Ų148.183%0.8376%0.763SS**  78.8143.6129.6-69.7172.6-178.7174.80121.2
215K29.3Very low33.3Very low201 Ų201148 Ų14887%0.87474%0.744SS**  trans85.290.6160.5-152.2177.5-168.5178.50116.6
216R29.5Very low34.1Very low242 Ų242140.6 Ų140.691%0.91371%0.712SS**  trans-158.6152.2155-103.5141.5-159.8-87.21.9112.5
217Q29.6Very low34.6Very low168 Ų168136.9 Ų136.979%0.78571%0.706SS**  trans-67.5158.3-170.7-69.8123.8-49.400114.2T219Q217-T219 PolarHBondContact O-N 3.44Å
218S28.7Very low35Very low108 Ų108133.5 Ų133.576%0.75569%0.692SS**  trans-67.987.2171.3-168.40000111.4R220S218-R220 PolarHBondContact O-N 2.79Å
219T27.6Very low35.2Very low130 Ų130129.8 Ų129.880%0.79868%0.675SS**  trans-84.879.2169.751.90000109.6Q217 K221Q217-T219 PolarHBondContact O-N 3.44Å; T219-K221 PolarHBondContact O-N 3.33Å; T219-K221 VanDerWaalsContact O-N 3.13Å
220R31.5Very low35.2Very low228 Ų228129.1 Ų129.186%0.8667%0.672SS**  trans-65110.8170.1-76.3-174.8173.8-175.6-2109.2S218S218-R220 PolarHBondContact O-N 2.79Å
221K31.2Very low35.2Very low198 Ų198128.3 Ų128.386%0.86167%0.666SS**PPolyproline II helixtrans-55.1128.4171.3-126.2174.6-178.4177.70108.6T219T219-K221 PolarHBondContact O-N 3.33Å; T219-K221 VanDerWaalsContact O-N 3.13Å
222P31.9Very low35Very low111 Ų111126.7 Ų126.772%0.72165%0.653SS**PPolyproline II helixtrans-66.6147.2-179.827.1-33.8000110.8
223P38.2Very low34.7Very low88 Ų88124.9 Ų124.957%0.57164%0.64SS**PPolyproline II helixtrans-64.7156.5175.828.7-34.8000111.2R225P223-R225 PolarHBondContact O-N 2.96Å
224S45.3Very low34.6Very low93 Ų93125.7 Ų125.765%0.6565%0.645SS**PPolyproline II helixtrans-55.6132.2-175.6440000113
225R50.1Low34.6Very low112 Ų112124 Ų12442%0.42365%0.645SS.*PPolyproline II helixtrans-57.4127.8-179.3-171.7-172.7-69.9-118.819109.8E173 P223E173-R225 IonicContact OE1-NH2 3.66Å; E173-R225 IonicContact OE2-CZ 2.7Å; E173-R225 IonicContact OE2-NH1 2.78Å; E173-R225 IonicContact OE2-NH2 3.45Å; E173-R225 PolarHBondContact OE2-NH2 2.98Å; P223-R225 PolarHBondContact O-N 2.96Å
226P48.8Very low34.5Very low25 Ų25117.6 Ų117.616%0.16263%0.629CS.*PPolyproline II helixtrans-66.5140.7175.128.3-33.7000110.1
227P44.8Very low34.5Very low95 Ų95110.3 Ų110.362%0.61762%0.615SS**PPolyproline II helixtrans-66.1154.8173.829.1-34.4000110.9
228L43Very low34.6Very low64 Ų64106.8 Ų106.834%0.33561%0.609SS.*PPolyproline II helixtrans-61.4146.9162.8-87.6164.9000109.3Y170 D230Y170-L228 HydrophobicContact CD1-CD1 3.86Å; Y170-L228 HydrophobicContact CD1-CG 4.44Å; Y170-L228 HydrophobicContact CE1-CD1 3.4Å; Y170-L228 HydrophobicContact CE1-CG 4.25Å; L228-D230 PolarHBondContact O-N 2.8Å; L228-D230 VanDerWaalsContact O-N 3.12Å
229P36.7Very low34.7Very low51 Ų51109.1 Ų109.133%0.33161%0.608SS.*  trans-59.8113.8162.5-19.533.3000108.8F154 V231F154-P229 HydrophobicContact CZ-CG 4.43Å; P229-V231 HydrophobicContact CB-CG2 3.64Å; P229-V231 PolarHBondContact O-N 2.87Å
230D31.3Very low34.9Very low120 Ų120109.6 Ų109.664%0.64260%0.603SS**  trans-79.761.9178.6-157.642000110.4L228 L232 S233L228-D230 PolarHBondContact O-N 2.8Å; L228-D230 VanDerWaalsContact O-N 3.12Å; D230-L232 PolarHBondContact O-N 3.48Å; D230-S233 PolarHBondContact O-N 3.2Å; D230-S233 VanDerWaalsContact OD2-CB 3.29Å; D230-S233 WeakPolarHBondContact OD2-CB 3.43Å; D230-S233 PolarHBondContact OD2-OG 2.88Å
231V32.8Very low34.9Very low110 Ų110104.3 Ų104.367%0.66759%0.592SS**THydrogen-bonded Turntrans-758.2-172.6175.20000112.1P229P229-V231 HydrophobicContact CB-CG2 3.64Å; P229-V231 PolarHBondContact O-N 2.87Å
232L29.2Very low35Very low95 Ų9598.3 Ų98.350%0.49757%0.574SS.*THydrogen-bonded Turntrans-121.26.7-177.1-60.1170.7000112.9D230 N234 Y380 G381D230-L232 PolarHBondContact O-N 3.48Å; L232-N234 VanDerWaalsContact C-N 3.33Å; L232-N234 PolarHBondContact O-N 3.32Å; L232-Y380 VanDerWaalsContact CD1-C 3.49Å; L232-Y380 WeakPolarHBondContact CD1-O 3.38Å; L232-G381 VanDerWaalsContact CD1-CA 3.46Å; L232-G381 VanDerWaalsContact CD1-N 3.31Å
233S29.1Very low35Very low74 Ų7498 Ų9852%0.51757%0.57SS.*  trans-95.241.7167.1-690000112.6D230 N235D230-S233 PolarHBondContact O-N 3.2Å; D230-S233 VanDerWaalsContact OD2-CB 3.29Å; D230-S233 WeakPolarHBondContact OD2-CB 3.43Å; D230-S233 PolarHBondContact OD2-OG 2.88Å; S233-N235 PolarHBondContact O-N 2.86Å; S233-N235 VanDerWaalsContact O-N 3.11Å
234N28.4Very low34.8Very low136 Ų136101.5 Ų101.573%0.72758%0.583SS**  trans-82.945.5166.5-86.211000111.6L232 A236L232-N234 VanDerWaalsContact C-N 3.33Å; L232-N234 PolarHBondContact O-N 3.32Å; N234-A236 PolarHBondContact O-N 3.5Å
235N28.9Very low34.2Very low156 Ų156105.5 Ų105.583%0.83459%0.589SS**  trans-8640.7162.2-75.2-2000110.4S233S233-N235 PolarHBondContact O-N 2.86Å; S233-N235 VanDerWaalsContact O-N 3.11Å
236A28.8Very low33.5Very low65 Ų65105.6 Ų105.654%0.53760%0.602SS.*  trans-101.347.9176.600000111N234N234-A236 PolarHBondContact O-N 3.5Å
237S29.6Very low32.7Very low89 Ų89113.8 Ų113.862%0.62264%0.638SS**  trans-114.75171.4-57.10000112.6
238S31.8Very low32.2Very low94 Ų94113.6 Ų113.666%0.65765%0.645SS**SBendtrans-94.6-10.6179.3-158.60000114.2
239E29.7Very low31.7Very low157 Ų157120.4 Ų120.473%0.73467%0.672SS**SBendtrans-89.2-8.9-179.8-71-177.3127.200113.9
240M31.7Very low31.6Very low141 Ų141127.5 Ų127.570%0.69570%0.697SS**SBendtrans-81.8-19.5172.3-42.6-57-161.800112.9
241N31.2Very low31.9Very low116 Ų116128.8 Ų128.862%0.6271%0.709SS**SBendtrans-101.35-167-75.2-45.3000114.7
242S32.9Very low31.9Very low72 Ų72127.7 Ų127.750%0.50371%0.711SS.*SBendtrans-96.7-25.8172.556.40000113.2K245S242-K245 PolarHBondContact O-N 3.08Å
243V32.4Very low32.3Very low104 Ų104130.4 Ų130.463%0.6373%0.726SS**THydrogen-bonded Turntrans-83-14-173.1-177.10000113.3T246V243-T246 PolarHBondContact O-OG1 3.27Å
244L34.9Very low33Very low162 Ų162133.8 Ų133.885%0.84874%0.737SS**THydrogen-bonded Turntrans-99.617.6172-70.7171.6000113.6
245K33.2Very low33.5Very low178 Ų178135.6 Ų135.677%0.77474%0.741SS**SBendtrans-121.411.5179.1-98.4172.7177.71680114.6S242S242-K245 PolarHBondContact O-N 3.08Å
246T33.8Very low33.8Very low114 Ų114135.8 Ų135.870%0.69974%0.737SS**SBendtrans-99.7-3.4-176.437.40000115V243V243-T246 PolarHBondContact O-OG1 3.27Å
247E33.5Very low34.2Very low196 Ų196140.4 Ų140.492%0.91675%0.747SS**SBendtrans-119.753.3175.9-62.3-144.515100113.6
248A32.6Very low34.5Very low91 Ų91146.4 Ų146.475%0.75276%0.756SS**SBendtrans-150.446.3173.600000112.9
249K34.2Very low34.7Very low207 Ų207149 Ų14990%0.976%0.763SS**  trans-154.650.9-179.7-137171.6-171.5177.30116
250K34.6Very low34.8Very low201 Ų201148.9 Ų148.987%0.87477%0.767SS**  trans-138.8156.4161.3-68.8-174.2-179.1173.50108.8
251V37.3Very low35.1Very low147 Ų147148.2 Ų148.289%0.89178%0.777SS**  trans72.579.9-169.5-163.80000113.1
252A31.9Very low35.2Very low86 Ų86149.3 Ų149.371%0.71178%0.782SS**  trans-95.7135.3142.500000107
253D38.6Very low35.4Very low152 Ų152150.9 Ų150.981%0.81379%0.791SS**  trans167.4159138.6-84.5-22.4000110.7
254I42.4Very low35.3Very low146 Ų146156 Ų15675%0.74980%0.799SS**  trans89.5106.6166.9-48.6-175000117.9
255E39.3Very low35.3Very low173 Ų173155.8 Ų155.881%0.80879%0.793SS**  trans63.4113.9150.4-63.5170.6146.900120.3
256H35Very low35.3Very low160 Ų160154.4 Ų154.474%0.74179%0.789SS**  74.4129.453-84.3-83.4000117
257H36.9Very low35.4Very low162 Ų162157.2 Ų157.275%0.7580%0.8SS**  trans69.7133170.2-61-57.7000115.6
258R36Very low35.8Very low215 Ų215152.9 Ų152.981%0.81178%0.782SS**  cis-155.2166.47.1-92.9147.9177.1-171.6-0.3106.7
259N36.7Very low36.3Very low149 Ų149155.1 Ų155.180%0.79779%0.786SS**  cis-157177.71.4-124.94.7000110.2
260N31.2Very low36.9Very low154 Ų154153.7 Ų153.782%0.82478%0.78SS**  trans-78151174-67.3-33.1000114.3
261S39.1Very low37.3Very low128 Ų128152.3 Ų152.390%0.89577%0.771SS**  trans-161.8133.8134.5-79.30000112.3
262D33.6Very low38.6Very low138 Ų138149 Ų14974%0.73875%0.752SS**  trans-41.4151.4-168-147.534.3000119.7
263P35.4Very low40.1Very low105 Ų105148.7 Ų148.768%0.68275%0.745SS**  trans-99.3131.3-178.236.4-28.4000114.2
264R30.6Very low41.4Very low213 Ų213146.2 Ų146.280%0.80475%0.746SS**  trans-165.8152.5157.8-114165.1-89.2-159.9-0.5110.5
265H35.7Very low42.3Very low157 Ų157144.6 Ų144.673%0.72774%0.738SS**  trans86.999.1-177.4-62-82.4000118.7
266Q34Very low43.7Very low149 Ų149139.7 Ų139.770%0.69672%0.717SS**  45.292.3121-66.9162.8-33.300117.7I268Q266-I268 HydrophobicContact CB-CD1 4.38Å; Q266-I268 HydrophobicContact CB-CG1 4.29Å; Q266-I268 PolarHBondContact O-N 3.14Å; Q266-I268 VanDerWaalsContact O-N 3.16Å
267N34.5Very low45Very low172 Ų172137.2 Ų137.292%0.9272%0.715SS**  trans-84.484.6162.8-152.9-8.1000109.5
268I42.3Very low46.1Very low106 Ų106137.9 Ų137.954%0.54472%0.716SS.*  trans-76.3127.9175.6-69.6165.8000108.3Q266 F270Q266-I268 HydrophobicContact CB-CD1 4.38Å; Q266-I268 HydrophobicContact CB-CG1 4.29Å; Q266-I268 PolarHBondContact O-N 3.14Å; Q266-I268 VanDerWaalsContact O-N 3.16Å; I268-F270 HydrophobicContact CG2-CD2 4.41Å; I268-F270 PolarHBondContact O-N 2.86Å
269V42.3Very low47Very low137 Ų137133.7 Ų133.783%0.8371%0.706SS**  trans-68.2100.5169.1179.60000107.8Y271V269-Y271 PolarHBondContact O-N 3.05Å
270F48.2Very low47.9Very low178 Ų178134.5 Ų134.578%0.78171%0.71SS**PPolyproline II helixtrans-68.6119.1176-105.5-95000110I268I268-F270 HydrophobicContact CG2-CD2 4.41Å; I268-F270 PolarHBondContact O-N 2.86Å
271Y43.2Very low48.6Very low172 Ų172135.5 Ų135.568%0.67572%0.716SS**PPolyproline II helixtrans-76.2138.7166-143.1-99.6000108.5V269 S273 L275V269-Y271 PolarHBondContact O-N 3.05Å; Y271-S273 PolarHBondContact O-N 2.7Å; Y271-L275 HydrophobicContact CD1-CB 4.11Å; Y271-L275 HydrophobicContact CE1-CB 3.75Å; Y271-L275 HydrophobicContact CE1-CD1 4.14Å
272P64.7Low49.2Very low77 Ų77134.9 Ų134.950%0.571%0.711SS.*PPolyproline II helixtrans-62.7128.2178.4-21.332.8000111.2A274 L275P272-A274 PolarHBondContact O-N 2.75Å; P272-A274 VanDerWaalsContact O-N 3.1Å; P272-L275 PolarHBondContact O-N 2.9Å
273S63.4Low49.6Very low79 Ų79133.7 Ų133.755%0.55271%0.711SS**G310 helixtrans-55.3-30.6179-53.30000113Y271 L275 N276Y271-S273 PolarHBondContact O-N 2.7Å; S273-L275 PolarHBondContact O-N 2.98Å; S273-N276 WeakPolarHBondContact O-CB 3.44Å; S273-N276 PolarHBondContact O-N 3.23Å
274A65.1Low49.9Very low101 Ų101137.8 Ų137.884%0.83572%0.721SS**G310 helixtrans-63.3-4.217500000115.1P272P272-A274 PolarHBondContact O-N 2.75Å; P272-A274 VanDerWaalsContact O-N 3.1Å
275L61.2Low50.2Low111 Ų111135 Ų13558%0.58172%0.722SS**G310 helixtrans-12013.4175.1-61.6177.1000112.7Y271 P272 S273 P277Y271-L275 HydrophobicContact CD1-CB 4.11Å; Y271-L275 HydrophobicContact CE1-CB 3.75Å; Y271-L275 HydrophobicContact CE1-CD1 4.14Å; P272-L275 PolarHBondContact O-N 2.9Å; S273-L275 PolarHBondContact O-N 2.98Å; L275-P277 VanDerWaalsContact O-CD 3.28Å; L275-P277 WeakPolarHBondContact O-CD 3.48Å
276N68.1Low50.4Low71 Ų71133.9 Ų133.938%0.3873%0.726SS.*  trans-88109.4176.9-173.711.3000110.9S273 F278 E279S273-N276 WeakPolarHBondContact O-CB 3.44Å; S273-N276 PolarHBondContact O-N 3.23Å; N276-F278 PolarHBondContact O-N 3.49Å; N276-E279 PolarHBondContact ND2-OE1 3.23Å
277P63.5Low50.5Low108 Ų108133.5 Ų133.570%0.70173%0.728SS**THydrogen-bonded Turntrans-77.412.5-174.6-14.131.8000114.9L275L275-P277 VanDerWaalsContact O-CD 3.28Å; L275-P277 WeakPolarHBondContact O-CD 3.48Å
278F58.8Low50.8Low176 Ų176130.9 Ų130.977%0.77272%0.723SS**THydrogen-bonded Turntrans-134.314.5-164.9-58.5-73000114.6N276N276-F278 PolarHBondContact O-N 3.49Å
279E56.2Low50.5Low126 Ų126134.2 Ų134.259%0.58974%0.737SS**  trans-84.7110.5170.3-83.7166.7-13700109.6N276 D281N276-E279 PolarHBondContact ND2-OE1 3.23Å; E279-D281 PolarHBondContact O-N 3.11Å
280D54.9Low50.4Low167 Ų167137.2 Ų137.289%0.89374%0.741SS**  trans-71.8111.8176.9-104.1-33.3000110.3S282D280-S282 PolarHBondContact O-N 3.35Å
281D46.6Very low49.7Very low175 Ų175136.8 Ų136.894%0.93674%0.742SS**  trans-72.7117.3170.3-86.1-43.5000111E279E279-D281 PolarHBondContact O-N 3.11Å
282S52.1Low49.3Very low115 Ų115134.8 Ų134.880%0.80475%0.751SS**  trans-136130.4166.5-171.60000110.1D280D280-S282 PolarHBondContact O-N 3.35Å
283P40.9Very low47.8Very low112 Ų112136.3 Ų136.373%0.72776%0.76SS**  trans-96.6150.2-14836.1-37.1000114.9
284H41.4Very low46.5Very low192 Ų192143.4 Ų143.489%0.88978%0.776SS**  trans-135.2136.3156.5-83-52.4000111.4
285D37.1Very low45.6Very low155 Ų155147.7 Ų147.783%0.82978%0.775SS**  trans-54145.7-179.9-76.5-70.2000114.2
286V40.4Very low44.9Very low133 Ų133148.6 Ų148.681%0.80679%0.788SS**  -170.8105.399.5156.10000110.3
287N35Very low44.3Very low140 Ų140154.8 Ų154.875%0.74981%0.808SS**  trans20.5101.3142.8-164.822.7000119.7
288S40.7Very low43.7Very low117 Ų117154.5 Ų154.582%0.81880%0.8SS**  trans-153.8141134.458.40000110.9
289Q36.8Very low43.4Very low177 Ų177150 Ų15083%0.82779%0.789SS**  trans-89.3127.6-171.5-63.3173.5-30.100111.5
290H40.1Very low43Very low199 Ų199152.6 Ų152.692%0.92180%0.798SS**  trans-165.7120.2135.5-109.8-69.8000110.6
291E34.4Very low42.9Very low169 Ų169150.8 Ų150.879%0.7979%0.789SS**  trans-96.8125.5-169.8-176175.7-174.300111.4
292C33.3Very low43Very low130 Ų130150.4 Ų150.488%0.87879%0.787SS**  trans-148.690.6170.8-103.10000109.6
293T33.6Very low42.8Very low110 Ų110152.8 Ų152.868%0.67579%0.79SS**  trans-85.8116.5-179-520000111.8
294Y36.5Very low42.8Very low228 Ų228155.4 Ų155.489%0.89480%0.797SS**  trans-113.4119.5163.1-104.4-92000109.4
295K46.6Very low42.7Very low190 Ų190151.7 Ų151.783%0.82679%0.793SS**PPolyproline II helixtrans-89.3132.5171.2-78.9-171174.6-176.50110.5
296P47Very low42.8Very low130 Ų130148.5 Ų148.584%0.84479%0.788SS**PPolyproline II helixtrans-66.5141.2171.1-19.532.7000112.2
297Y53.9Low42.6Very low202 Ų202147.2 Ų147.279%0.79279%0.785SS**PPolyproline II helixtrans-87.5128.2-179176.1-94.1000111.5P299Y297-P299 HydrophobicContact CD1-CB 4.5Å; Y297-P299 HydrophobicContact CD1-CG 4Å; Y297-P299 HydrophobicContact CE1-CB 3.93Å; Y297-P299 HydrophobicContact CE1-CG 3.9Å
298N50.9Low42.8Very low102 Ų102147.3 Ų147.355%0.54579%0.786SS.*PPolyproline II helixtrans-103.1116.9173.8-175.234.7000110.3F300 D301N298-F300 VanDerWaalsContact C-N 3.29Å; N298-F300 PolarHBondContact O-N 2.89Å; N298-D301 PolarHBondContact ND2-OD2 2.99Å
299P52.2Low42.8Very low82 Ų82146.8 Ų146.853%0.53278%0.782SS.*THydrogen-bonded Turntrans-77.626.9-167.6-18.433.3000118.4Y297Y297-P299 HydrophobicContact CD1-CB 4.5Å; Y297-P299 HydrophobicContact CD1-CG 4Å; Y297-P299 HydrophobicContact CE1-CB 3.93Å; Y297-P299 HydrophobicContact CE1-CG 3.9Å
300F49.1Very low43.1Very low179 Ų179147.4 Ų147.479%0.78579%0.785SS**THydrogen-bonded Turntrans-133.52.7-168.5-74.6-71.8000117.6N298N298-F300 VanDerWaalsContact C-N 3.29Å; N298-F300 PolarHBondContact O-N 2.89Å
301D53.3Low43Very low130 Ų130146.7 Ų146.770%0.69578%0.782SS**  trans-111.174.1-177.3-59.7-57.4000111.8N298N298-D301 PolarHBondContact ND2-OD2 2.99Å
302D47.7Very low43.6Very low167 Ų167146.2 Ų146.289%0.89378%0.783SS**  trans-90.286.5166.6-88.7-36.3000109.6
303D47.2Very low44Very low164 Ų164146.1 Ų146.188%0.87777%0.774SS**  trans-107.7117.3174.1-133.2-7.9000110.8
304L40.9Very low44.1Very low167 Ų167147.5 Ų147.587%0.87478%0.777SS**  trans-87.4122-172.3-68166.4000111.6
305S40.3Very low44.2Very low115 Ų115143.7 Ų143.780%0.80478%0.778SS**  trans-159.9134.1156.143.50000115.5
306A38Very low43.8Very low88 Ų88139.5 Ų139.573%0.72777%0.772SS**  trans59.5111.9157.100000118.3
307S36.1Very low43.7Very low105 Ų105141.2 Ų141.273%0.73478%0.775SS**  81.6134.791-64.30000112.2
308D40.7Very low42.9Very low143 Ų143136.2 Ų136.277%0.76577%0.769SS**  cis-150.416532.1-82.1-55.8000113
309S39.2Very low42.7Very low106 Ų106137.2 Ų137.274%0.74177%0.774SS**  trans38.5141.9142.471.50000121.8
310E43.4Very low42.3Very low189 Ų189141.1 Ų141.188%0.88379%0.785SS**  cis-148.916332.8-74.4-176.4151.800114.4
311E38.6Very low42.1Very low184 Ų184136.8 Ų136.886%0.8678%0.777SS**  trans-54.1146.1172-55.2171.6127.500117
312I47.6Very low41.4Very low160 Ų160137.7 Ų137.782%0.82178%0.782SS**  trans-149106.9133.1-55-172.6000111.8
313N41.1Very low41Very low128 Ų128137 Ų13768%0.68478%0.777SS**  trans38.1116.1144.5-60.5-46.8000124.6
314N35.5Very low40.5Very low138 Ų138133.9 Ų133.974%0.73877%0.768SS**  52.4121.3116.9-49-28.8000121.8
315T40Very low40.3Very low148 Ų148131.2 Ų131.291%0.90876%0.763SS**  -155.6142.8102.9-260000111.8
316S37.4Very low40.1Very low102 Ų102133.5 Ų133.571%0.71377%0.765SS**  trans-82.2156.9179.8-51.50000113.5
317D44.6Very low40.2Very low167 Ų167134 Ų13489%0.89376%0.763SS**  -167.8152.2113.5-95-17.8000111.9
318S37.5Very low40.2Very low96 Ų96136.6 Ų136.667%0.67177%0.768SS**  trans-107.5160.4-170.756.90000113.2
319D47.1Very low40.3Very low123 Ų123135.3 Ų135.366%0.65877%0.768SS**  175.3136115.1-88.32.5000114
320H43.7Very low40.5Very low164 Ų164135.8 Ų135.876%0.75977%0.768SS**  trans32.4138.8140.1-54.9-53.5000121.7
321S44.4Very low40.1Very low89 Ų89132.2 Ų132.262%0.62276%0.764SS**  cis-177.51520.651.80000111.7
322N39.2Very low39.8Very low149 Ų149130.9 Ų130.980%0.79776%0.762SS**  trans53.8140.6148.7-51.1-26.3000119.2
323I38.9Very low39.1Very low152 Ų152130.1 Ų130.178%0.77977%0.765SS**  -163.6139.458.8-80.1176.8000111
324S37Very low38.6Very low98 Ų98129 Ų12969%0.68577%0.767SS**  trans54.3113.8156.9-610000121.4
325S35.1Very low38.4Very low111 Ų111128.8 Ų128.878%0.77677%0.771SS**  68.2120.984.3-500000113.4
326I37.4Very low38Very low164 Ų164127.6 Ų127.684%0.84177%0.765SS**  -149.5152.962.7-80.8165000112.6
327S39Very low37.8Very low98 Ų98129.9 Ų129.969%0.68577%0.768SS**  trans-43.7129.9-174.852.30000121.9
328N37.7Very low37.1Very low159 Ų159129.3 Ų129.385%0.8577%0.765SS**  32.5147.8124.5-66.5-6.7000124.8
329P42.1Very low36.7Very low116 Ų116134 Ų13475%0.75377%0.774SS**  trans-104.7-146.3177.347.8-38.6000110.4
330P42.7Very low35.8Very low117 Ų117137.5 Ų137.576%0.7678%0.778SS**  cis-131.4178-19.339.4-22.4000114.4
331S35.9Very low35.2Very low113 Ų113135.7 Ų135.779%0.7977%0.774SS**  trans172.3147132.4-169.60000113.6
332L31.3Very low34.3Very low156 Ų156140.6 Ų140.682%0.81778%0.778SS**  trans-39.6144.3176.6-51.9168.6000117.9
333V33.8Very low33.9Very low144 Ų144143.6 Ų143.687%0.87378%0.78SS**  171.6148.2122.11540000111.3
334S29.7Very low33.6Very low106 Ų106142.8 Ų142.874%0.74178%0.782SS**  trans-77.3145.5-167.2-44.20000116.7
335T32Very low33.1Very low133 Ų133146.8 Ų146.882%0.81679%0.79SS**  -178.1148.1129.519.90000112.2
336P31Very low33Very low122 Ų122150 Ų15079%0.79279%0.793SS**  trans-92.4141.4-179.635.4-32.5000112.8
337I33.5Very low32.5Very low151 Ų151148.6 Ų148.677%0.77479%0.787SS**  trans-130.8135.8176.1-61.7-179.1000111.4
338N29.5Very low32.1Very low154 Ų154150 Ų15082%0.82479%0.787SS**  trans-54.7135.6177-61.3-73.8000113.6
339F30.3Very low31.9Very low196 Ų196150.9 Ų150.986%0.8679%0.786SS**  trans-103.2108.2164.3-109.7-85.5000112.1
340R27.4Very low31.2Very low196 Ų196150.5 Ų150.574%0.7478%0.782SS**  trans-104.897.3175.4179.4-170.6-171.2174.97.5108.9R342R340-R342 PolarHBondContact O-N 2.9Å
341N30.7Very low30.5Very low125 Ų125155.3 Ų155.367%0.66879%0.791SS**  trans-84.4107.1173.3-80.9-11.4000110.9
342R25.8Very low30.1Very low192 Ų192154.5 Ų154.573%0.72579%0.786SS**  trans-80138.7157.1-62.9-179-174.1178.22.1108.2R340R340-R342 PolarHBondContact O-N 2.9Å
343Y31.1Very low30.1Very low212 Ų212153.2 Ų153.283%0.83178%0.784SS**  trans-124.9145.5152.4-84.3-78.1000109
344T32.3Very low30.1Very low135 Ų135155 Ų15583%0.82878%0.783SS**  trans-90.5143.8-151.6-340000112.8
345E26Very low30.1Very low182 Ų182159 Ų15985%0.8579%0.787SS**  trans-67.2153.6168.5-60171.3129.500111.7
346Q33.1Very low30.1Very low178 Ų178160.7 Ų160.783%0.83279%0.79SS**  trans-157.6123.2144.2-115.5171.930.500112.6
347N28.3Very low30.4Very low136 Ų136160.5 Ų160.573%0.72779%0.786SS**  trans68.6146.5161.1-68.2-29.3000121.2
348N30.2Very low30.4Very low127 Ų127158.8 Ų158.868%0.67979%0.785SS**  cis-178.2171.1-39-117.9-38.8000109.4
349Q32.8Very low30.5Very low178 Ų178159 Ų15983%0.83279%0.786SS**  trans74.196.9171-60.9167.714.900114.6
350T27.4Very low30.5Very low108 Ų108157.2 Ų157.266%0.66378%0.78SS**  cis84.4110.841.6-47.50000114.2
351F28.3Very low30.6Very low218 Ų218153.2 Ų153.296%0.95678%0.783SS**  trans-146.3142.1145.6-114.8-83.8000109
352S26.9Very low30.7Very low96 Ų96155.1 Ų155.167%0.67179%0.791SS**  trans-126.1168-166.4-55.30000112.3
353V33.1Very low30.8Very low128 Ų128152.4 Ų152.478%0.77679%0.791SS**  trans149.6132.8161.4153.90000106.8
354E33.6Very low30.5Very low183 Ų183148.2 Ų148.286%0.85579%0.79SS**  cis-151.6170.9-8.3-114.3174.4145.100109.2
355K28.4Very low30.2Very low189 Ų189152.6 Ų152.682%0.82279%0.791SS**  trans-136.7129.3-173.7-178.9-175.1179.1-174.50112.2
356L33.4Very low30.1Very low169 Ų169151 Ų15189%0.88579%0.794SS**  trans-124100.3162.9-74.4165.3000107.2
357V37Very low29.7Very low117 Ų117146.4 Ų146.471%0.70979%0.786SS**  67112104.4-179.60000112.9
358P33.3Very low29.7Very low115 Ų115149.8 Ų149.875%0.74780%0.797SS**  trans-99.1159.6-177.838.9-33.4000113
359D30.4Very low29.4Very low158 Ų158149 Ų14985%0.84580%0.802SS**  trans-149.9155.6161.4-132.4-21.3000114.6
360E31.9Very low29.4Very low159 Ų159144 Ų14474%0.74379%0.786SS**  trans51.789.3164.1-54.7-153.4129.300122.3
361S29.6Very low29.6Very low113 Ų113142 Ų14279%0.7977%0.771SS**  35.188.212460.80000121.5
362I31.2Very low30.1Very low165 Ų165139.7 Ų139.785%0.84676%0.757SS**  trans-135.1129.3151.9-59.3-176.7000112.1
363N27.8Very low30.9Very low135 Ų135135.7 Ų135.772%0.72273%0.728SS**  trans-18.5132.3171-133.3-26.8000118.3R365N363-R365 VanDerWaalsContact C-N 3.35Å; N363-R365 PolarHBondContact O-N 2.89Å
364P26.7Very low31.5Very low124 Ų124132.2 Ų132.281%0.80571%0.705SS**SBendtrans-81.470.4-176.835.2-37.7000113.2
365R24.4Very low32Very low227 Ų227124.8 Ų124.886%0.85767%0.673SS**  trans-138.2133.9164.1-70.2-174.7172.3164.8-2.2109.3N363N363-R365 VanDerWaalsContact C-N 3.35Å; N363-R365 PolarHBondContact O-N 2.89Å
366T24.9Very low32.7Very low148 Ų148116.6 Ų116.691%0.90864%0.64SS**SBendtrans95.263.8180-36.90000116.8
367A25Very low33Very low81 Ų81109.5 Ų109.567%0.66960%0.603SS**  trans-160.782.615900000113.9
368H26.9Very low33.3Very low207 Ų207109.9 Ų109.996%0.95860%0.6SS**  trans-124.669.6160.9-79.1-59.5000110.4
369S24.5Very low33.6Very low111 Ų111105.9 Ų105.978%0.77658%0.577SS**  trans-107.974.2-178.955.20000111.9
370S32.4Very low33.7Very low73 Ų73104.2 Ų104.251%0.5156%0.56SS.*  trans-163.6122.9158.260.50000110.9Y372S370-Y372 WeakPolarHBondContact O-CD2 3.48Å; S370-Y372 PolarHBondContact O-N 3.07Å
371I33.1Very low33.6Very low67 Ų6798.5 Ų98.534%0.34454%0.544SS..  trans-74.3105.2-170.6-61.474.4000110L168 K172 D373L168-I371 HydrophobicContact CD1-CB 4.1Å; L168-I371 HydrophobicContact CD1-CG2 3.46Å; L168-I371 VanDerWaalsContact CD1-CG2 3.46Å; L168-I371 HydrophobicContact CG-CB 4.35Å; L168-I371 HydrophobicContact CG-CG2 3.98Å; K172-I371 HydrophobicContact CD-CD1 3.85Å; K172-I371 HydrophobicContact CD-CG1 4.18Å; K172-I371 VanDerWaalsContact CE-CD1 3.47Å; K172-I371 HydrophobicContact CG-CD1 3.76Å; K172-I371 HydrophobicContact CG-CG1 3.66Å; I371-D373 HydrophobicContact CG2-CB 3.63Å
372Y38.3Very low33.7Very low168 Ų16897.5 Ų97.566%0.65954%0.537SS*.  trans-94.398.8170.2-64.1-89.5000108.5S370S370-Y372 WeakPolarHBondContact O-CD2 3.48Å; S370-Y372 PolarHBondContact O-N 3.07Å
373D43.3Very low33.7Very low13 Ų1395.9 Ų95.97%0.0753%0.529CS..  trans-152.9-24-164.3-124.9-14.5000117.7L168 I371 S375 S376 L377 Y380L168-D373 HydrophobicContact CD1-CB 4.48Å; I371-D373 HydrophobicContact CG2-CB 3.63Å; D373-S375 PolarHBondContact O-N 3.22Å; D373-S376 CarbonylContact O-C 3.58Å; D373-S376 PolarHBondContact O-N 3.12Å; D373-L377 HydrophobicContact CB-CD1 3.7Å; D373-L377 HydrophobicContact CB-CD2 4.34Å; D373-L377 HydrophobicContact CB-CG 3.71Å; D373-L377 VanDerWaalsContact CG-CG 3.46Å; D373-L377 VanDerWaalsContact O-CB 3.27Å; D373-L377 WeakPolarHBondContact O-CB 3.46Å; D373-L377 WeakPolarHBondContact O-CD1 3.31Å; D373-L377 WeakPolarHBondContact O-CG 3.37Å; D373-L377 PolarHBondContact O-N 3.23Å; D373-L377 WeakPolarHBondContact OD1-CG 3.3Å; D373-Y380 WeakPolarHBondContact OD1-CE2 3.42Å; D373-Y380 PolarHBondContact OD1-OH 3.34Å
374L45Very low33.9Very low54 Ų5496.2 Ų96.228%0.28353%0.531SS..THydrogen-bonded Turntrans-62.4-21-168.3-127.786.6000117.3R164 Q167 L168 L377R164-L374 HydrophobicContact CB-CD1 4.27Å; R164-L374 HydrophobicContact CB-CD2 3.6Å; R164-L374 HydrophobicContact CG-CD1 3.72Å; R164-L374 HydrophobicContact CG-CD2 3.53Å; R164-L374 HydrophobicContact CG-CG 4.16Å; R164-L374 WeakPolarHBondContact O-CD1 3.48Å; Q167-L374 HydrophobicContact CB-CD1 4.11Å; L168-L374 HydrophobicContact CD1-CD1 4.29Å; L374-L377 HydrophobicContact CD1-CD1 4.27Å
375S43.6Very low34.3Very low28 Ų28100.2 Ų100.220%0.19654%0.535CS..THydrogen-bonded Turntrans-97.2-32169.8-58.20000112.8D373 L377D373-S375 PolarHBondContact O-N 3.22Å; S375-L377 VanDerWaalsContact C-N 3.27Å; S375-L377 PolarHBondContact O-N 3.36Å
376S43.2Very low34.6Very low17 Ų1793.7 Ų93.712%0.11953%0.53CS..G310 helixtrans-67.5-27.4174.2-42.80000112.2D373 L378 A379 Y380 H446D373-S376 CarbonylContact O-C 3.58Å; D373-S376 PolarHBondContact O-N 3.12Å; S376-L378 VanDerWaalsContact C-N 3.33Å; S376-L378 PolarHBondContact O-N 2.88Å; S376-A379 WeakPolarHBondContact O-CA 3.39Å; S376-A379 VanDerWaalsContact O-CB 3.31Å; S376-A379 WeakPolarHBondContact O-CB 3.29Å; S376-A379 PolarHBondContact O-N 3.48Å; S376-Y380 WeakPolarHBondContact O-CD2 3.18Å; S376-Y380 WeakPolarHBondContact O-CE2 3.42Å; S376-H446 PolarHBondContact OG-CE1 3.01Å; S376-H446 PolarHBondContact OG-NE2 3.47Å; S376-H446 VanDerWaalsContact OG-NE2 3.16Å
377L41.4Very low34.9Very low20 Ų2095.9 Ų95.911%0.10553%0.53CS..G310 helixtrans-68.4-26.9-174-80.3165.1000116.1L171 D373 L374 S375 A379 Y380L171-L377 HydrophobicContact CB-CD2 4.43Å; L171-L377 HydrophobicContact CD1-CD1 3.03Å; L171-L377 HydrophobicContact CD1-CD2 3.09Å; L171-L377 HydrophobicContact CD1-CG 3.57Å; L171-L377 HydrophobicContact CD2-CD2 3.43Å; L171-L377 VanDerWaalsContact CD2-CD2 3.43Å; L171-L377 HydrophobicContact CG-CD1 4.43Å; L171-L377 HydrophobicContact CG-CD2 3.76Å; D373-L377 HydrophobicContact CB-CD1 3.7Å; D373-L377 HydrophobicContact CB-CD2 4.34Å; D373-L377 HydrophobicContact CB-CG 3.71Å; D373-L377 VanDerWaalsContact CG-CG 3.46Å; D373-L377 VanDerWaalsContact O-CB 3.27Å; D373-L377 WeakPolarHBondContact O-CB 3.46Å; D373-L377 WeakPolarHBondContact O-CD1 3.31Å; D373-L377 WeakPolarHBondContact O-CG 3.37Å; D373-L377 PolarHBondContact O-N 3.23Å; D373-L377 WeakPolarHBondContact OD1-CG 3.3Å; L374-L377 HydrophobicContact CD1-CD1 4.27Å; S375-L377 VanDerWaalsContact C-N 3.27Å; S375-L377 PolarHBondContact O-N 3.36Å; L377-A379 PolarHBondContact O-N 2.91Å; L377-Y380 HydrophobicContact CD2-CD2 3.91Å; L377-Y380 HydrophobicContact CD2-CE2 3.99Å; L377-Y380 HydrophobicContact CD2-CG 4.44Å; L377-Y380 PolarHBondContact O-N 3.21Å
378L41.9Very low35.2Very low124 Ų12497.6 Ų97.665%0.64954%0.537SS*.G310 helixtrans-76.4-2.1174-60.6173.8000111.5S376S376-L378 VanDerWaalsContact C-N 3.33Å; S376-L378 PolarHBondContact O-N 2.88Å
379A39.8Very low35.5Very low32 Ų3292 Ų9226%0.26452%0.521SS..G310 helixtrans-107.82.3175.200000114.8S376 L377 G381 E512S376-A379 WeakPolarHBondContact O-CA 3.39Å; S376-A379 VanDerWaalsContact O-CB 3.31Å; S376-A379 WeakPolarHBondContact O-CB 3.29Å; S376-A379 PolarHBondContact O-N 3.48Å; L377-A379 PolarHBondContact O-N 2.91Å; A379-G381 VanDerWaalsContact C-N 3.33Å; A379-G381 PolarHBondContact O-N 2.96Å; A379-E512 WeakPolarHBondContact CB-OE1 3.5Å
380Y33.3Very low35.9Very low122 Ų12292 Ų9248%0.47852%0.521SS..THydrogen-bonded Turntrans-76.976.3-177.3-83.2-106.1000113.8L232 D373 S376 L377L232-Y380 VanDerWaalsContact CD1-C 3.49Å; L232-Y380 WeakPolarHBondContact CD1-O 3.38Å; D373-Y380 WeakPolarHBondContact OD1-CE2 3.42Å; D373-Y380 PolarHBondContact OD1-OH 3.34Å; S376-Y380 WeakPolarHBondContact O-CD2 3.18Å; S376-Y380 WeakPolarHBondContact O-CE2 3.42Å; L377-Y380 HydrophobicContact CD2-CD2 3.91Å; L377-Y380 HydrophobicContact CD2-CE2 3.99Å; L377-Y380 HydrophobicContact CD2-CG 4.44Å; L377-Y380 PolarHBondContact O-N 3.21Å
381G28.5Very low35.8Very low40 Ų4095.5 Ų95.541%0.41253%0.534SS..THydrogen-bonded Turntrans-124.3-17160.900000114.3L232 A379 L383L232-G381 VanDerWaalsContact CD1-CA 3.46Å; L232-G381 VanDerWaalsContact CD1-N 3.31Å; A379-G381 VanDerWaalsContact C-N 3.33Å; A379-G381 PolarHBondContact O-N 2.96Å; G381-L383 PolarHBondContact O-N 2.85Å; G381-L383 VanDerWaalsContact O-N 3.08Å
382S32.8Very low35.8Very low91 Ų9196.7 Ų96.764%0.63655%0.548SS*.  trans-77.396.1172.3-85.50000110.4R516S382-R516 PolarHBondContact OG-NH1 2.81Å
383L31.7Very low35.8Very low131 Ų13193.7 Ų93.769%0.68655%0.551SS**  trans-62.1138.6161.5-91.672.2000110.3G381G381-L383 PolarHBondContact O-N 2.85Å; G381-L383 VanDerWaalsContact O-N 3.08Å
384N31Very low35.4Very low142 Ų142100 Ų10076%0.75959%0.585SS**  trans49.7101.6142.3-52.4-15.7000118.9
385K34.8Very low35.1Very low208 Ų208102 Ų10290%0.90461%0.609SS**  -145131.4125.5-138.1155.8-173.5171.40111.6
386A31.2Very low34.8Very low90 Ų90108.1 Ų108.174%0.74464%0.638SS**  trans-68.2156.7-178.300000111.2S388A386-S388 PolarHBondContact O-N 3.38Å
387Q31.1Very low34.7Very low195 Ų195116.8 Ų116.891%0.91168%0.677SS**  trans-58.3100.8163.9-71.4174.9-21.500109.2S389Q387-S389 PolarHBondContact O-N 2.95Å
388S32.3Very low34.5Very low116 Ų116120.7 Ų120.781%0.81171%0.706SS**  trans-65.8102161.552.40000107.5A386 S390A386-S388 PolarHBondContact O-N 3.38Å; S388-S390 PolarHBondContact O-N 3.47Å
389S32Very low34.5Very low89 Ų89120 Ų12062%0.62271%0.711SS**  trans-33.4115.2179.352.30000114.2Q387 L391Q387-S389 PolarHBondContact O-N 2.95Å; S389-L391 PolarHBondContact O-N 3.36Å
390S32.4Very low34.6Very low111 Ų111127.8 Ų127.878%0.77674%0.739SS**  trans-68.987157.3550000108.3S388 S392S388-S390 PolarHBondContact O-N 3.47Å; S390-S392 PolarHBondContact O-N 3.04Å
391L30.9Very low35.2Very low148 Ų148127.5 Ų127.578%0.77576%0.755SS**  trans-73.276.9166.5-76170.4000108.7S389 S393S389-L391 PolarHBondContact O-N 3.36Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 3.45Å
392S34.3Very low35.6Very low92 Ų92130.9 Ų130.964%0.64377%0.77SS**  trans-72.188.7163.253.70000108.5S390 D394S390-S392 PolarHBondContact O-N 3.04Å; S392-D394 VanDerWaalsContact C-N 3.29Å; S392-D394 PolarHBondContact O-N 2.97Å
393S37Very low35.9Very low105 Ų105134.5 Ų134.573%0.73478%0.781SS**  trans-73.682.7172.5-65.10000110.3L391 A395L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 3.45Å; S393-A395 PolarHBondContact O-N 3.4Å
394D35.9Very low36.3Very low145 Ų145136.6 Ų136.678%0.77579%0.793SS**  trans-68.182168.2-74.2-41.9000110.2S392 I396S392-D394 VanDerWaalsContact C-N 3.29Å; S392-D394 PolarHBondContact O-N 2.97Å; D394-I396 PolarHBondContact O-N 2.98Å
395A37Very low36.6Very low96 Ų96132.9 Ų132.979%0.79379%0.789SS**  trans-81.792.8173.800000110.2S393 Q397S393-A395 PolarHBondContact O-N 3.4Å; A395-Q397 PolarHBondContact O-N 2.95Å
396I38.9Very low37.3Very low156 Ų156128.6 Ų128.680%0.879%0.785SS**  trans-61.1121.2171.3-61.6162.7000109.8D394D394-I396 PolarHBondContact O-N 2.98Å
397Q39.8Very low37.8Very low199 Ų199132.6 Ų132.693%0.9379%0.794SS**  trans-149.2117.2151.9-116.3167.96500111.2A395A395-Q397 PolarHBondContact O-N 2.95Å
398S37.3Very low38.8Very low103 Ų103128 Ų12872%0.7279%0.789SS**  trans-125.4111.6-174150.40000110.8
399S43.2Very low39.7Very low109 Ų109131.9 Ų131.976%0.76279%0.791SS**  trans-169.5113.6155.537.40000107.5
400K42Very low40.4Very low195 Ų195135.6 Ų135.685%0.84880%0.802SS**  42.5108.182.3-62.8-172.9179.4-178.10110.7
401S44.2Very low41.2Very low117 Ų117136.3 Ų136.382%0.81880%0.802SS**  176.6174.168.843.70000109.7
402P37.6Very low42Very low111 Ų111141.2 Ų141.272%0.72181%0.81SS**  trans-117.9168.8-142.340.1-30.5000117.9
403L38.8Very low43.1Very low167 Ų167141.8 Ų141.887%0.87481%0.814SS**  trans38.998.7145.1-66.9166.4000119.9
404D40.6Very low44Very low174 Ų174142.7 Ų142.793%0.9382%0.815SS**  -165.5155.9129.3-117.5-18.1000107.4
405G38.2Very low44.7Very low65 Ų65143.5 Ų143.567%0.6782%0.82SS**  cis149.361.25.700000112
406S49.3Very low45.9Very low117 Ų117144.8 Ų144.882%0.81882%0.818SS**  trans-158.2118.5174.456.60000114.8
407N41.7Very low47.2Very low175 Ų175147.1 Ų147.194%0.93682%0.822SS**  trans-69.8133.1174.6-68-74.7000112.5
408A50.8Low48.9Very low97 Ų97140.5 Ų140.580%0.80281%0.807SS**  trans-148.698.3163.600000113.1
409K52.6Low50.8Low198 Ų198141.8 Ų141.886%0.86181%0.813SS**  trans38.7100.3150.6-72.8173.9175.5173.30119T411K409-T411 PolarHBondContact O-N 2.72Å
410I45.6Very low52.2Low168 Ų168140.9 Ų140.986%0.86281%0.812SS**  trans-9.2107.1140.6-56.3161.9000113.7
411T50.1Low53.9Low126 Ų126137 Ų13777%0.77381%0.807SS**  trans-118.1137.9153.548.10000107.9K409 S413K409-T411 PolarHBondContact O-N 2.72Å; T411-S413 PolarHBondContact O-N 2.93Å
412R46.5Very low55Low250 Ų250137.2 Ų137.294%0.94381%0.805SS**  trans-72.896.2-173-65.6173.5-179.9160.9-1.5109.9
413S57Low56.4Low104 Ų104139.2 Ų139.273%0.72781%0.808SS**  trans-87.2126.9172.560.10000111T411T411-S413 PolarHBondContact O-N 2.93Å
414V56.4Low57.9Low125 Ų125136.7 Ų136.776%0.75880%0.802SS**  trans-37.9137.5174.2-163.10000112.7T416V414-T416 PolarHBondContact O-N 2.74Å
415N50.7Low59Low162 Ų162134.8 Ų134.887%0.86680%0.796SS**  trans-65.578.6172.5-74.818.1000111.2K417N415-K417 PolarHBondContact O-N 3.28Å
416T63.1Low60.4Low123 Ų123135 Ų13576%0.75578%0.781SS**  trans-71.8115.1162.744.90000107.9V414 G418V414-T416 PolarHBondContact O-N 2.74Å; T416-G418 PolarHBondContact O-N 2.86Å
417K65.3Low61.7Low205 Ų205132.8 Ų132.889%0.89177%0.766SS**PPolyproline II helixtrans-53.5133.6168.6-71.5-179.3177.2179.80107.8N415N415-K417 PolarHBondContact O-N 3.28Å
418G76.2Confident63.7Low59 Ų59128.4 Ų128.461%0.60874%0.737SS**PPolyproline II helixtrans-55.3154.1175.400000111.1T416 A420T416-G418 PolarHBondContact O-N 2.86Å; G418-A420 PolarHBondContact O-N 3.14Å
419P76.3Confident64.9Low131 Ų131127.8 Ų127.885%0.85172%0.717SS**PPolyproline II helixtrans-53.7137.5177.523.9-33.6000109.9
420A73.7Confident66Low89 Ų89122.8 Ų122.874%0.73670%0.7SS**PPolyproline II helixtrans-56.3140179.100000109.9G418G418-A420 PolarHBondContact O-N 3.14Å
421P77.2Confident67.3Low115 Ų115116.6 Ų116.675%0.74767%0.668SS**PPolyproline II helixtrans-56.6142.5175.324.5-33.3000109.7I423P421-I423 PolarHBondContact O-N 3.11Å
422P66.9Low68.6Low121 Ų121114.6 Ų114.679%0.78665%0.646SS**PPolyproline II helixtrans-58.9135.7-178.324.8-33.8000110.1
423I67.2Low69.3Low153 Ų153107.8 Ų107.879%0.78562%0.621SS**PPolyproline II helixtrans-56.2127.5178.2-59.2173.6000108.1P421 V425P421-I423 PolarHBondContact O-N 3.11Å; I423-V425 PolarHBondContact O-N 3.33Å; I423-V425 VanDerWaalsContact O-N 3.1Å
424P70.6Confident69.4Low113 Ų113105.6 Ų105.673%0.73460%0.601SS**PPolyproline II helixtrans-54.9119.3176.9-26.935.2000110.5L426P424-L426 PolarHBondContact O-N 3.32Å; P424-L426 VanDerWaalsContact O-N 3.16Å
425V62.7Low69.6Low134 Ų134111 Ų11181%0.81261%0.607SS**PPolyproline II helixtrans-63.4119.5174.8-179.60000107.4I423 S427I423-V425 PolarHBondContact O-N 3.33Å; I423-V425 VanDerWaalsContact O-N 3.1Å; V425-S427 PolarHBondContact O-N 2.63Å; V425-S427 VanDerWaalsContact O-N 3.14Å
426L68.4Low70Confident69 Ų69109.8 Ų109.836%0.36160%0.596SS.*PPolyproline II helixtrans-55.3122.8173.4-68.1175.1000108.2P424 Y522 A529P424-L426 PolarHBondContact O-N 3.32Å; P424-L426 VanDerWaalsContact O-N 3.16Å; L426-Y522 HydrophobicContact CB-CE2 4.29Å; L426-Y522 WeakPolarHBondContact O-CE2 3.16Å; L426-A529 HydrophobicContact CD1-CB 4.01Å
427S76.3Confident69.8Low72 Ų72108.8 Ų108.850%0.50360%0.595SS.*PPolyproline II helixtrans-97.8145.5174.649.20000109.6V425 H429 R525V425-S427 PolarHBondContact O-N 2.63Å; V425-S427 VanDerWaalsContact O-N 3.14Å; S427-H429 PolarHBondContact O-N 3.25Å; S427-R525 VanDerWaalsContact O-CZ 3.28Å; S427-R525 PolarHBondContact O-NH1 3.07Å; S427-R525 PolarHBondContact O-NH2 2.68Å
428R83.7Confident70.1Confident82 Ų82102.4 Ų102.431%0.30957%0.57SS.*PPolyproline II helixtrans-60129.8166-177.7-172.1-175-104.115.3108.4D430 D515 A518 D519 Y522R428-D430 IonicContact NH1-OD1 2.63Å; R428-D430 PolarHBondContact NH1-OD1 3.16Å; R428-D515 IonicContact CZ-OD1 2.87Å; R428-D515 IonicContact NH1-OD1 2.72Å; R428-D515 PolarHBondContact NH1-OD1 2.79Å; R428-D515 PolarHBondContact NH2-O 2.91Å; R428-D515 VanDerWaalsContact NH2-O 3.15Å; R428-D515 IonicContact NH2-OD1 4Å; R428-D515 PolarHBondContact NH2-OD1 2.84Å; R428-A518 HydrophobicContact CG-CB 4.36Å; R428-D519 IonicContact CZ-OD1 2.7Å; R428-D519 IonicContact NE-OD1 3.21Å; R428-D519 PolarHBondContact NE-OD1 2.87Å; R428-D519 IonicContact NH2-OD1 2.66Å; R428-D519 PolarHBondContact NH2-OD1 3.22Å; R428-Y522 HydrophobicContact CB-CD2 4.11Å; R428-Y522 HydrophobicContact CB-CG 4.11Å; R428-Y522 HydrophobicContact CG-CG 4.49Å
429H77.4Confident70.4Confident85 Ų85102.8 Ų102.839%0.39456%0.555SS.*PPolyproline II helixtrans-89.3139.5176.1-62.9147.7000109.9S427 I431 A518 E521 R525S427-H429 PolarHBondContact O-N 3.25Å; H429-I431 PolarHBondContact O-N 3.12Å; H429-A518 WeakPolarHBondContact O-CB 3.45Å; H429-E521 IonicContact CE1-OE1 3.83Å; H429-E521 IonicContact CG-OE1 3.82Å; H429-E521 IonicContact ND1-OE1 2.72Å; H429-E521 PolarHBondContact ND1-OE1 3.4Å; H429-E521 IonicContact ND1-OE2 2.8Å; H429-R525 PolarHBondContact CE1-NH1 2.81Å; H429-R525 VanDerWaalsContact ND1-CZ 3.28Å; H429-R525 PolarHBondContact ND1-NH2 3.38Å
430D75.8Confident70.8Confident92 Ų9298.4 Ų98.449%0.49252%0.524SS..  trans-82.8103.3176.1-99.424.7000110.4R428 R432R428-D430 IonicContact NH1-OD1 2.63Å; R428-D430 PolarHBondContact NH1-OD1 3.16Å; D430-R432 PolarHBondContact O-N 2.87Å; D430-R432 IonicContact OD2-CZ 2.6Å; D430-R432 IonicContact OD2-NE 2.77Å; D430-R432 PolarHBondContact OD2-NE 3.11Å; D430-R432 IonicContact OD2-NH2 3.92Å; D430-R432 PolarHBondContact OD2-NH2 3.1Å
431I72.6Confident71.5Confident38 Ų3897.1 Ų97.120%0.19551%0.508CS..  trans-93.279.7-175-59.8178.2000110H429 E514 H517 A518 E521H429-I431 PolarHBondContact O-N 3.12Å; I431-E514 VanDerWaalsContact O-CB 3.25Å; I431-E514 WeakPolarHBondContact O-CB 3.25Å; I431-E514 VanDerWaalsContact O-CG 3.23Å; I431-E514 WeakPolarHBondContact O-CG 3.36Å; I431-H517 WeakPolarHBondContact CD1-CD2 3.24Å; I431-A518 HydrophobicContact CB-CB 4.34Å; I431-A518 HydrophobicContact CD1-CB 4.35Å; I431-A518 HydrophobicContact CG1-CB 4.25Å; I431-E521 HydrophobicContact CD1-CB 3.88Å; I431-E521 HydrophobicContact CD1-CG 3.91Å
432R75.8Confident72Confident84 Ų8494.8 Ų94.832%0.31749%0.485SS..  trans-104131-178.7-56-178.5-169.9-150.8-0.6111.2D430 F439 E514D430-R432 PolarHBondContact O-N 2.87Å; D430-R432 IonicContact OD2-CZ 2.6Å; D430-R432 IonicContact OD2-NE 2.77Å; D430-R432 PolarHBondContact OD2-NE 3.11Å; D430-R432 IonicContact OD2-NH2 3.92Å; D430-R432 PolarHBondContact OD2-NH2 3.1Å; R432-F439 VanDerWaalsContact NH1-CD1 3.26Å; R432-E514 WeakPolarHBondContact CA-OE2 3.47Å
433R62.5Low73Confident108 Ų10894.4 Ų94.441%0.40848%0.481SS..SBendtrans-72-35.5175.4-177.2-173.1-63.2162-5.8112.4E514 R557 S561R433-E514 WeakPolarHBondContact CB-OE1 3.14Å; R433-E514 PolarHBondContact N-OE1 2.81Å; R433-E514 PolarHBondContact N-OE2 2.82Å; R433-R557 PolarHBondContact NH2-O 3.41Å; R433-S561 PolarHBondContact NH1-OG 3.18Å; R433-S561 VanDerWaalsContact NH1-OG 3.09Å; R433-S561 PolarHBondContact NH2-OG 3.05Å
434D59.7Low74.1Confident57 Ų5790.3 Ų90.331%0.30546%0.459SS..SBendtrans-91.3126179.8-83.1-40.9000111.5Q436 N438 R507D434-Q436 VanDerWaalsContact C-N 3.35Å; D434-Q436 PolarHBondContact O-N 2.72Å; D434-N438 HydrophobicContact CB-CB 3.79Å; D434-N438 VanDerWaalsContact CG-CB 3.47Å; D434-N438 VanDerWaalsContact CG-ND2 3.27Å; D434-N438 PolarHBondContact OD1-ND2 3Å; D434-N438 WeakPolarHBondContact OD2-CB 3.25Å; D434-N438 PolarHBondContact OD2-ND2 2.98Å; D434-R507 IonicContact OD2-NH2 3.25Å; D434-R507 PolarHBondContact OD2-NH2 2.62Å
435R60.3Low74.9Confident238 Ų23885 Ų8590%0.89842%0.424SS*.  trans-62.986.5169.8-79.6-176.8169.5179.7-2.9111.2S437R435-S437 PolarHBondContact O-N 3.19Å
436Q57.6Low76Confident137 Ų13780.4 Ų80.464%0.6439%0.393SS*.SBendtrans51.5-45.6173.3-114.567.54.100119.2D434 N438 F439D434-Q436 VanDerWaalsContact C-N 3.35Å; D434-Q436 PolarHBondContact O-N 2.72Å; Q436-N438 VanDerWaalsContact C-N 3.25Å; Q436-N438 PolarHBondContact O-N 2.64Å; Q436-N438 VanDerWaalsContact O-N 3.17Å; Q436-F439 PolarHBondContact O-N 3.15Å
437S59.7Low77Confident103 Ų10382.3 Ų82.372%0.7240%0.399SS*.THydrogen-bonded Turntrans-62.8-24.9-168.365.40000115.2R435R435-S437 PolarHBondContact O-N 3.19Å
438N72.1Confident77.8Confident70 Ų7081 Ų8137%0.37439%0.385SS..THydrogen-bonded Turntrans-104.7-3.5-176.2-65.2-10.6000112.8D434 Q436 I440 R507D434-N438 HydrophobicContact CB-CB 3.79Å; D434-N438 VanDerWaalsContact CG-CB 3.47Å; D434-N438 VanDerWaalsContact CG-ND2 3.27Å; D434-N438 PolarHBondContact OD1-ND2 3Å; D434-N438 WeakPolarHBondContact OD2-CB 3.25Å; D434-N438 PolarHBondContact OD2-ND2 2.98Å; Q436-N438 VanDerWaalsContact C-N 3.25Å; Q436-N438 PolarHBondContact O-N 2.64Å; Q436-N438 VanDerWaalsContact O-N 3.17Å; N438-I440 PolarHBondContact O-N 3.35Å; N438-R507 PolarHBondContact O-NH1 2.98Å
439F81.6Confident78Confident67 Ų6777.3 Ų77.329%0.29437%0.371SS..  trans-70.6117.2-179.5-179-96.1000110.5R432 Q436 P441R432-F439 VanDerWaalsContact NH1-CD1 3.26Å; Q436-F439 PolarHBondContact O-N 3.15Å; F439-P441 HydrophobicContact CE1-CB 4.47Å; F439-P441 HydrophobicContact CE1-CG 4.2Å
440I85Confident78.4Confident39 Ų3980.1 Ų80.120%0.238%0.379CS..  trans-105.2123172.9-53.6173.5000106.8N438 E444 L445 L504 Q511N438-I440 PolarHBondContact O-N 3.35Å; I440-E444 HydrophobicContact CG2-CB 3.87Å; I440-E444 HydrophobicContact CG2-CG 3.8Å; I440-L445 HydrophobicContact CB-CD2 3.81Å; I440-L445 HydrophobicContact CB-CG 3.9Å; I440-L445 HydrophobicContact CD1-CD2 3.94Å; I440-L445 HydrophobicContact CG1-CD2 4.46Å; I440-L445 HydrophobicContact CG2-CD2 3.77Å; I440-L445 HydrophobicContact CG2-CG 3.73Å; I440-L504 HydrophobicContact CD1-CD2 4.39Å; I440-Q511 PolarHBondContact O-NE2 2.81Å; I440-Q511 PolarHBondContact O-OE1 2.92Å; I440-Q511 VanDerWaalsContact O-OE1 3.08Å
441P87.8Confident79.1Confident62 Ų6278.8 Ų78.840%0.40337%0.372SS..  trans-59.4146.7176.5-24.134000112.4F439 T443 E444 L445F439-P441 HydrophobicContact CE1-CB 4.47Å; F439-P441 HydrophobicContact CE1-CG 4.2Å; P441-T443 PolarHBondContact O-N 2.9Å; P441-T443 VanDerWaalsContact O-N 3.11Å; P441-E444 PolarHBondContact O-N 3.28Å; P441-L445 PolarHBondContact O-N 3.35Å
442Y88Confident79.9Confident66 Ų6677 Ų7726%0.25936%0.363SS..Hα-helixtrans-49.8-38.8177.5-72.3-78.1000113.8E444 L445 H446 L508 Q511 E512 D515Y442-E444 VanDerWaalsContact C-N 3.33Å; Y442-E444 PolarHBondContact O-N 3.3Å; Y442-L445 PolarHBondContact O-N 3.31Å; Y442-H446 WeakPolarHBondContact O-CB 3.4Å; Y442-H446 PolarHBondContact O-N 3.35Å; Y442-H446 PolarHBondContact O-ND1 2.96Å; Y442-L508 HydrophobicContact CD1-CD1 3.59Å; Y442-L508 HydrophobicContact CE1-CD1 3.67Å; Y442-Q511 HydrophobicContact CE1-CB 4.32Å; Y442-Q511 VanDerWaalsContact OH-C 3.27Å; Y442-Q511 PolarHBondContact OH-O 3Å; Y442-E512 HydrophobicContact CE1-CG 4.34Å; Y442-E512 PolarHBondContact OH-N 2.95Å; Y442-D515 VanDerWaalsContact CE2-OD2 3.25Å; Y442-D515 WeakPolarHBondContact CE2-OD2 3.08Å; Y442-D515 PolarHBondContact OH-OD2 2.54Å
443T87.3Confident80.3Confident114 Ų11473.6 Ų73.670%0.69935%0.351SS*.Hα-helixtrans-59.8-41177480000112.7P441 K447P441-T443 PolarHBondContact O-N 2.9Å; P441-T443 VanDerWaalsContact O-N 3.11Å; T443-K447 VanDerWaalsContact O-CB 3.25Å; T443-K447 WeakPolarHBondContact O-CB 3.18Å; T443-K447 PolarHBondContact O-N 3.4Å; T443-K447 VanDerWaalsContact O-N 3.11Å
444E90.4Very high81.5Confident67 Ų6770.6 Ų70.631%0.31334%0.343SS..Hα-helixtrans-79.6-36.4178.9-178.458.6-155.100111.5I440 P441 Y442 K447 Q448I440-E444 HydrophobicContact CG2-CB 3.87Å; I440-E444 HydrophobicContact CG2-CG 3.8Å; P441-E444 PolarHBondContact O-N 3.28Å; Y442-E444 VanDerWaalsContact C-N 3.33Å; Y442-E444 PolarHBondContact O-N 3.3Å; E444-K447 PolarHBondContact O-N 3.26Å; E444-K447 IonicContact OE2-NZ 3.54Å; E444-Q448 WeakPolarHBondContact O-CG 3.49Å; E444-Q448 PolarHBondContact O-N 2.87Å; E444-Q448 WeakPolarHBondContact OE1-CG 3.27Å; E444-Q448 PolarHBondContact OE1-NE2 3.28Å
445L88.3Confident83Confident0 Ų072.4 Ų72.40%035%0.35CS..Hα-helixtrans-58.8-52171-75.8178.7000111.7I440 P441 Y442 K447 Q448 L449 L504 R507 L508I440-L445 HydrophobicContact CB-CD2 3.81Å; I440-L445 HydrophobicContact CB-CG 3.9Å; I440-L445 HydrophobicContact CD1-CD2 3.94Å; I440-L445 HydrophobicContact CG1-CD2 4.46Å; I440-L445 HydrophobicContact CG2-CD2 3.77Å; I440-L445 HydrophobicContact CG2-CG 3.73Å; P441-L445 PolarHBondContact O-N 3.35Å; Y442-L445 PolarHBondContact O-N 3.31Å; L445-K447 VanDerWaalsContact C-N 3.32Å; L445-K447 PolarHBondContact O-N 3.11Å; L445-Q448 PolarHBondContact O-N 3.18Å; L445-L449 WeakPolarHBondContact O-CB 3.44Å; L445-L449 WeakPolarHBondContact O-CD1 3.49Å; L445-L449 WeakPolarHBondContact O-CG 3.16Å; L445-L449 PolarHBondContact O-N 3.05Å; L445-L504 HydrophobicContact CD2-CD2 3.78Å; L445-R507 HydrophobicContact CD1-CG 4.31Å; L445-R507 HydrophobicContact CD2-CG 3.95Å; L445-L508 HydrophobicContact CD1-CB 4.21Å; L445-L508 HydrophobicContact CD1-CD1 4.14Å
446H86.6Confident84.2Confident38 Ų3861 Ų6118%0.17631%0.307CS..Hα-helixtrans-64-37.5-179.8-64.9165.1000111.9S376 Y442 Y450S376-H446 PolarHBondContact OG-CE1 3.01Å; S376-H446 PolarHBondContact OG-NE2 3.47Å; S376-H446 VanDerWaalsContact OG-NE2 3.16Å; Y442-H446 WeakPolarHBondContact O-CB 3.4Å; Y442-H446 PolarHBondContact O-N 3.35Å; Y442-H446 PolarHBondContact O-ND1 2.96Å; H446-Y450 VanDerWaalsContact O-CB 3.29Å; H446-Y450 WeakPolarHBondContact O-CB 3.38Å; H446-Y450 PolarHBondContact O-N 3.12Å
447K89.1Confident85.5Confident110 Ų11055.2 Ų55.248%0.47828%0.281SS..Hα-helixtrans-62.3-51173.2-178.6-172.9166.5-157.70111.6T443 E444 L445 L449 Y450 D451T443-K447 VanDerWaalsContact O-CB 3.25Å; T443-K447 WeakPolarHBondContact O-CB 3.18Å; T443-K447 PolarHBondContact O-N 3.4Å; T443-K447 VanDerWaalsContact O-N 3.11Å; E444-K447 PolarHBondContact O-N 3.26Å; E444-K447 IonicContact OE2-NZ 3.54Å; L445-K447 VanDerWaalsContact C-N 3.32Å; L445-K447 PolarHBondContact O-N 3.11Å; K447-L449 VanDerWaalsContact C-N 3.3Å; K447-L449 PolarHBondContact O-N 3.33Å; K447-Y450 WeakPolarHBondContact O-CB 3.36Å; K447-Y450 PolarHBondContact O-N 3.24Å; K447-Y450 VanDerWaalsContact O-N 3.13Å; K447-D451 VanDerWaalsContact O-CG 3.24Å; K447-D451 PolarHBondContact O-N 3.41Å
448Q91.6Very high87Confident43 Ų4355.3 Ų55.320%0.20127%0.274CS..Hα-helixtrans-62.6-37.1179-71.1-174.735.700112.7E444 L445 I452 L504E444-Q448 WeakPolarHBondContact O-CG 3.49Å; E444-Q448 PolarHBondContact O-N 2.87Å; E444-Q448 WeakPolarHBondContact OE1-CG 3.27Å; E444-Q448 PolarHBondContact OE1-NE2 3.28Å; L445-Q448 PolarHBondContact O-N 3.18Å; Q448-I452 WeakPolarHBondContact O-CB 3.28Å; Q448-I452 WeakPolarHBondContact O-CD1 3.03Å; Q448-I452 WeakPolarHBondContact O-CG1 3.42Å; Q448-I452 PolarHBondContact O-N 3.2Å; Q448-L504 HydrophobicContact CB-CD1 3.69Å
449L88.5Confident87.8Confident6 Ų653.2 Ų53.23%0.03126%0.263CS..Hα-helixtrans-65.8-40.3174.1-75162.2000111.8L445 K447 N453 E501 L504 L505 L508L445-L449 WeakPolarHBondContact O-CB 3.44Å; L445-L449 WeakPolarHBondContact O-CD1 3.49Å; L445-L449 WeakPolarHBondContact O-CG 3.16Å; L445-L449 PolarHBondContact O-N 3.05Å; K447-L449 VanDerWaalsContact C-N 3.3Å; K447-L449 PolarHBondContact O-N 3.33Å; L449-N453 WeakPolarHBondContact O-CB 3.45Å; L449-N453 PolarHBondContact O-N 3.12Å; L449-E501 HydrophobicContact CD2-CG 4.32Å; L449-L504 HydrophobicContact CD1-CB 4.36Å; L449-L504 HydrophobicContact CD2-CB 3.68Å; L449-L504 HydrophobicContact CD2-CD1 4.38Å; L449-L504 HydrophobicContact CG-CB 3.93Å; L449-L504 HydrophobicContact CG-CD1 4.33Å; L449-L505 HydrophobicContact CD1-CD2 4.27Å; L449-L505 HydrophobicContact CD2-CD2 4.05Å; L449-L505 HydrophobicContact CD2-CG 3.91Å; L449-L508 HydrophobicContact CD1-CD2 4.11Å
450Y87.1Confident88Confident143 Ų14350.6 Ų50.656%0.56125%0.251SS*.Hα-helixtrans-64-45.6173.9178.7-102.3000112.3H446 K447 N453 N454H446-Y450 VanDerWaalsContact O-CB 3.29Å; H446-Y450 WeakPolarHBondContact O-CB 3.38Å; H446-Y450 PolarHBondContact O-N 3.12Å; K447-Y450 WeakPolarHBondContact O-CB 3.36Å; K447-Y450 PolarHBondContact O-N 3.24Å; K447-Y450 VanDerWaalsContact O-N 3.13Å; Y450-N453 WeakPolarHBondContact O-CB 3.46Å; Y450-N453 PolarHBondContact O-N 3.25Å; Y450-N454 WeakPolarHBondContact CD1-ND2 3.29Å; Y450-N454 WeakPolarHBondContact CE1-ND2 3.36Å; Y450-N454 VanDerWaalsContact CZ-ND2 3.33Å; Y450-N454 VanDerWaalsContact O-CG 3.23Å; Y450-N454 PolarHBondContact O-N 3.47Å; Y450-N454 PolarHBondContact O-ND2 3.2Å
451D90.2Very high88.1Confident64 Ų6453.4 Ų53.434%0.34227%0.266SS..Hα-helixtrans-61.9-49.4178.7-67.5-20.8000111K447 N453 N454 E455K447-D451 VanDerWaalsContact O-CG 3.24Å; K447-D451 PolarHBondContact O-N 3.41Å; D451-N453 VanDerWaalsContact C-N 3.28Å; D451-N453 PolarHBondContact O-N 2.86Å; D451-N454 WeakPolarHBondContact O-CB 3.48Å; D451-N454 PolarHBondContact O-N 2.93Å; D451-N454 VanDerWaalsContact O-N 3.07Å; D451-E455 PolarHBondContact O-N 3.18Å
452I88Confident88.1Confident1 Ų151.7 Ų51.71%0.00526%0.255CS..Hα-helixtrans-58.6-41.5173.8-69.3163.1000111.2Q448 N454 E455 L456 L497 K500 E501 L504Q448-I452 WeakPolarHBondContact O-CB 3.28Å; Q448-I452 WeakPolarHBondContact O-CD1 3.03Å; Q448-I452 WeakPolarHBondContact O-CG1 3.42Å; Q448-I452 PolarHBondContact O-N 3.2Å; I452-N454 VanDerWaalsContact C-N 3.27Å; I452-N454 PolarHBondContact O-N 3.46Å; I452-E455 PolarHBondContact O-N 2.99Å; I452-L456 HydrophobicContact CG2-CD1 3.9Å; I452-L456 HydrophobicContact CG2-CG 4.3Å; I452-L456 WeakPolarHBondContact O-CB 3.33Å; I452-L456 VanDerWaalsContact O-CG 3.3Å; I452-L456 WeakPolarHBondContact O-CG 3.31Å; I452-L456 PolarHBondContact O-N 2.89Å; I452-L497 HydrophobicContact CG1-CD2 4.22Å; I452-L497 HydrophobicContact CG2-CB 4.16Å; I452-L497 HydrophobicContact CG2-CD2 4.23Å; I452-K500 HydrophobicContact CD1-CB 4.06Å; I452-K500 HydrophobicContact CD1-CD 3.57Å; I452-K500 HydrophobicContact CD1-CG 3.64Å; I452-K500 HydrophobicContact CG1-CD 4.14Å; I452-E501 HydrophobicContact CG2-CB 4.03Å; I452-L504 HydrophobicContact CD1-CD1 3.44Å; I452-L504 VanDerWaalsContact CD1-CD1 3.44Å
453N85.9Confident88.1Confident12 Ų1248.6 Ų48.66%0.06424%0.243CC..Hα-helixtrans-62.1-34.7177.5156.578.4000112.5R160 R164 L449 Y450 D451 S457R160-N453 PolarHBondContact NH1-O 3.39Å; R160-N453 PolarHBondContact NH1-OD1 2.84Å; R160-N453 PolarHBondContact NH2-OD1 3.3Å; R164-N453 WeakPolarHBondContact CD-OD1 3.46Å; R164-N453 PolarHBondContact NH1-ND2 2.97Å; R164-N453 PolarHBondContact NH1-OD1 2.9Å; L449-N453 WeakPolarHBondContact O-CB 3.45Å; L449-N453 PolarHBondContact O-N 3.12Å; Y450-N453 WeakPolarHBondContact O-CB 3.46Å; Y450-N453 PolarHBondContact O-N 3.25Å; D451-N453 VanDerWaalsContact C-N 3.28Å; D451-N453 PolarHBondContact O-N 2.86Å; N453-S457 PolarHBondContact O-N 3.43Å; N453-S457 PolarHBondContact O-OG 3.42Å
454N87.3Confident87.9Confident46 Ų4646 Ų4625%0.24622%0.221CC..Hα-helixtrans-75-44175.4-64.1-24.3000111.3Y450 D451 I452 L456 S457 N458Y450-N454 WeakPolarHBondContact CD1-ND2 3.29Å; Y450-N454 WeakPolarHBondContact CE1-ND2 3.36Å; Y450-N454 VanDerWaalsContact CZ-ND2 3.33Å; Y450-N454 VanDerWaalsContact O-CG 3.23Å; Y450-N454 PolarHBondContact O-N 3.47Å; Y450-N454 PolarHBondContact O-ND2 3.2Å; D451-N454 WeakPolarHBondContact O-CB 3.48Å; D451-N454 PolarHBondContact O-N 2.93Å; D451-N454 VanDerWaalsContact O-N 3.07Å; I452-N454 VanDerWaalsContact C-N 3.27Å; I452-N454 PolarHBondContact O-N 3.46Å; N454-L456 VanDerWaalsContact C-N 3.3Å; N454-L456 PolarHBondContact O-N 3.02Å; N454-S457 PolarHBondContact O-N 3.1Å; N454-S457 VanDerWaalsContact O-N 3.12Å; N454-N458 VanDerWaalsContact O-CG 3.31Å; N454-N458 PolarHBondContact O-N 2.94Å
455E90.4Very high87.8Confident94 Ų9447.7 Ų47.744%0.43923%0.229SC..Hα-helixtrans-57.3-42.8173.4-72-177.6-138.100111.7D451 I452 S457 N458 L459 L497D451-E455 PolarHBondContact O-N 3.18Å; I452-E455 PolarHBondContact O-N 2.99Å; E455-S457 PolarHBondContact O-N 3.28Å; E455-N458 PolarHBondContact O-N 3.18Å; E455-L459 WeakPolarHBondContact O-CG 3.31Å; E455-L459 PolarHBondContact O-N 2.72Å; E455-L497 HydrophobicContact CB-CD1 3.58Å; E455-L497 WeakPolarHBondContact OE2-CD2 3.38Å
456L85.5Confident87.6Confident0 Ų047.7 Ų47.70%023%0.229CC..Hα-helixtrans-60.5-41.7174.5-77.9170.1000112.2I452 N454 L459 E460 K494 L497 F498I452-L456 HydrophobicContact CG2-CD1 3.9Å; I452-L456 HydrophobicContact CG2-CG 4.3Å; I452-L456 WeakPolarHBondContact O-CB 3.33Å; I452-L456 VanDerWaalsContact O-CG 3.3Å; I452-L456 WeakPolarHBondContact O-CG 3.31Å; I452-L456 PolarHBondContact O-N 2.89Å; N454-L456 VanDerWaalsContact C-N 3.3Å; N454-L456 PolarHBondContact O-N 3.02Å; L456-L459 PolarHBondContact O-N 2.64Å; L456-E460 WeakPolarHBondContact O-CB 3.23Å; L456-E460 VanDerWaalsContact O-CG 3.23Å; L456-E460 WeakPolarHBondContact O-CG 3.37Å; L456-E460 PolarHBondContact O-N 3.49Å; L456-K494 HydrophobicContact CD2-CG 3.85Å; L456-L497 HydrophobicContact CD2-CB 3.79Å; L456-L497 HydrophobicContact CD2-CD1 4.22Å; L456-L497 HydrophobicContact CG-CB 4.05Å; L456-L497 HydrophobicContact CG-CD1 4.2Å; L456-F498 HydrophobicContact CD1-CD1 4.2Å; L456-F498 HydrophobicContact CD1-CE1 4.11Å; L456-F498 HydrophobicContact CD2-CD1 4.44Å; L456-F498 HydrophobicContact CD2-CE1 4.3Å; L456-F498 HydrophobicContact CD2-CZ 4.37Å
457S85.7Confident87.4Confident15 Ų1547.3 Ų47.311%0.10523%0.227CC..Hα-helixtrans-66.6-35.9173.8-720000112.6R164 N453 N454 E455 E460 L461R164-S457 PolarHBondContact NH1-OG 3.38Å; N453-S457 PolarHBondContact O-N 3.43Å; N453-S457 PolarHBondContact O-OG 3.42Å; N454-S457 PolarHBondContact O-N 3.1Å; N454-S457 VanDerWaalsContact O-N 3.12Å; E455-S457 PolarHBondContact O-N 3.28Å; S457-E460 WeakPolarHBondContact O-CB 3.38Å; S457-E460 PolarHBondContact O-N 3.39Å; S457-L461 WeakPolarHBondContact O-CG 3.37Å; S457-L461 PolarHBondContact O-N 2.8Å
458N89.9Confident87.2Confident104 Ų10444.3 Ų44.356%0.55622%0.218SC*.Hα-helixtrans-69-39.7175.4-67.5-19.6000112.1N454 E455 E460 L461 S462N454-N458 VanDerWaalsContact O-CG 3.31Å; N454-N458 PolarHBondContact O-N 2.94Å; E455-N458 PolarHBondContact O-N 3.18Å; N458-E460 VanDerWaalsContact C-N 3.33Å; N458-L461 PolarHBondContact O-N 3.44Å; N458-S462 PolarHBondContact O-N 3.41Å
459L89.6Confident86.8Confident27 Ų2744 Ų4414%0.14122%0.221CC..Hα-helixtrans-67.6-33172.8-67.9178.5000112.2E455 L456 A463 T490 L493 K494 L497E455-L459 WeakPolarHBondContact O-CG 3.31Å; E455-L459 PolarHBondContact O-N 2.72Å; L456-L459 PolarHBondContact O-N 2.64Å; L459-A463 WeakPolarHBondContact O-CB 3.14Å; L459-A463 PolarHBondContact O-N 3.28Å; L459-T490 HydrophobicContact CB-CG2 4.11Å; L459-T490 HydrophobicContact CD2-CG2 4.1Å; L459-T490 WeakPolarHBondContact O-CG2 3.27Å; L459-L493 HydrophobicContact CD1-CB 3.68Å; L459-L493 HydrophobicContact CD2-CB 4.15Å; L459-L493 HydrophobicContact CD2-CD1 3.95Å; L459-K494 HydrophobicContact CD1-CB 4.15Å; L459-L497 HydrophobicContact CD1-CD1 3.63Å
460E85.3Confident86.5Confident11 Ų1144 Ų445%0.05122%0.221CC..Hα-helixtrans-63.5-47.2172.1-82.1164.5179.500111.6E149 R160 L456 S457 N458 A463 R464 K494E149-E460 HydrophobicContact CG-CB 4.17Å; E149-E460 HydrophobicContact CG-CG 4.41Å; R160-E460 WeakPolarHBondContact CD-OE1 3.33Å; L456-E460 WeakPolarHBondContact O-CB 3.23Å; L456-E460 VanDerWaalsContact O-CG 3.23Å; L456-E460 WeakPolarHBondContact O-CG 3.37Å; L456-E460 PolarHBondContact O-N 3.49Å; S457-E460 WeakPolarHBondContact O-CB 3.38Å; S457-E460 PolarHBondContact O-N 3.39Å; N458-E460 VanDerWaalsContact C-N 3.33Å; E460-A463 WeakPolarHBondContact O-CB 3.38Å; E460-A463 PolarHBondContact O-N 2.97Å; E460-R464 PolarHBondContact O-N 3.45Å; E460-K494 VanDerWaalsContact CD-NZ 3.33Å; E460-K494 IonicContact OE1-NZ 3.25Å; E460-K494 PolarHBondContact OE1-NZ 2.86Å
461L87.4Confident86Confident99 Ų9944.4 Ų44.452%0.51822%0.221SC..Hα-helixtrans-62.2-47.7174.4-69.8172.9000111.9S457 N458 A463 R464 E465S457-L461 WeakPolarHBondContact O-CG 3.37Å; S457-L461 PolarHBondContact O-N 2.8Å; N458-L461 PolarHBondContact O-N 3.44Å; L461-A463 VanDerWaalsContact C-N 3.27Å; L461-A463 PolarHBondContact O-N 3.43Å; L461-R464 WeakPolarHBondContact O-CA 3.48Å; L461-R464 VanDerWaalsContact O-CB 3.24Å; L461-R464 WeakPolarHBondContact O-CB 3.49Å; L461-R464 PolarHBondContact O-N 2.96Å; L461-E465 WeakPolarHBondContact O-CG 3.24Å; L461-E465 PolarHBondContact O-N 3.19Å
462S88.6Confident85.5Confident25 Ų2548.1 Ų48.118%0.17524%0.237CC..Hα-helixtrans-70.5-24.4178.9-152.80000113.1N458 E465 I466 K486N458-S462 PolarHBondContact O-N 3.41Å; S462-E465 WeakPolarHBondContact CA-OE2 3.44Å; S462-E465 WeakPolarHBondContact CB-OE2 3.32Å; S462-E465 PolarHBondContact OG-OE2 3.14Å; S462-I466 WeakPolarHBondContact O-CD1 3.49Å; S462-I466 WeakPolarHBondContact O-CG1 3.46Å; S462-I466 PolarHBondContact O-N 3Å; S462-I466 VanDerWaalsContact O-N 3.08Å; S462-K486 PolarHBondContact OG-NZ 2.95Å
463A86.9Confident84.5Confident1 Ų150.9 Ų50.91%0.00825%0.25CS..Hα-helixtrans-64.2-46.2165.800000111.1V148 L459 E460 L461 E465 I466 Q467 W487 T490V148-A463 HydrophobicContact CB-CB 4.29Å; V148-A463 HydrophobicContact CG1-CB 3.69Å; L459-A463 WeakPolarHBondContact O-CB 3.14Å; L459-A463 PolarHBondContact O-N 3.28Å; E460-A463 WeakPolarHBondContact O-CB 3.38Å; E460-A463 PolarHBondContact O-N 2.97Å; L461-A463 VanDerWaalsContact C-N 3.27Å; L461-A463 PolarHBondContact O-N 3.43Å; A463-E465 PolarHBondContact O-N 3.06Å; A463-I466 PolarHBondContact O-N 3.12Å; A463-I466 VanDerWaalsContact O-N 3.16Å; A463-Q467 WeakPolarHBondContact O-CG 3.48Å; A463-Q467 PolarHBondContact O-N 3.37Å; A463-W487 HydrophobicContact CB-CE3 4.36Å; A463-W487 HydrophobicContact CB-CH2 4.15Å; A463-W487 HydrophobicContact CB-CZ3 3.55Å; A463-W487 WeakPolarHBondContact O-CZ3 3.38Å; A463-T490 HydrophobicContact CB-CG2 4.09Å
464R83.8Confident83.2Confident59 Ų5954.2 Ų54.222%0.22327%0.274CS..Hα-helixtrans-55.1-50.2174.7-160.8-169.2-169.194.4-0.4111.1P144 F146 E149 E460 L461 I466 Q467 T468P144-R464 PolarHBondContact O-NH1 2.7Å; P144-R464 PolarHBondContact O-NH2 2.9Å; F146-R464 HydrophobicContact CD2-CG 3.79Å; F146-R464 HydrophobicContact CE2-CG 3.81Å; F146-R464 VanDerWaalsContact CE2-CZ 3.44Å; F146-R464 HydrophobicContact CG-CG 4.32Å; F146-R464 HydrophobicContact CZ-CG 4.35Å; E149-R464 WeakPolarHBondContact OE1-CD 3.39Å; E149-R464 IonicContact OE1-CZ 3.05Å; E149-R464 IonicContact OE1-NH1 2.67Å; E149-R464 PolarHBondContact OE1-NH1 2.78Å; E149-R464 IonicContact OE2-CZ 2.6Å; E149-R464 IonicContact OE2-NH1 3.42Å; E149-R464 PolarHBondContact OE2-NH1 2.96Å; E460-R464 PolarHBondContact O-N 3.45Å; L461-R464 WeakPolarHBondContact O-CA 3.48Å; L461-R464 VanDerWaalsContact O-CB 3.24Å; L461-R464 WeakPolarHBondContact O-CB 3.49Å; L461-R464 PolarHBondContact O-N 2.96Å; R464-I466 VanDerWaalsContact C-N 3.31Å; R464-I466 PolarHBondContact O-N 3.11Å; R464-Q467 PolarHBondContact O-N 3.45Å; R464-Q467 VanDerWaalsContact O-N 3.08Å; R464-T468 PolarHBondContact O-N 2.71Å; R464-T468 PolarHBondContact O-OG1 3.18Å
465E87.6Confident82Confident103 Ų10359.6 Ų59.648%0.48130%0.298SS..Hα-helixtrans-54.7-42.5175.4-67.2168.1173.200112.9L461 S462 A463 T468 S469 K486L461-E465 WeakPolarHBondContact O-CG 3.24Å; L461-E465 PolarHBondContact O-N 3.19Å; S462-E465 WeakPolarHBondContact CA-OE2 3.44Å; S462-E465 WeakPolarHBondContact CB-OE2 3.32Å; S462-E465 PolarHBondContact OG-OE2 3.14Å; A463-E465 PolarHBondContact O-N 3.06Å; E465-T468 WeakPolarHBondContact CA-OG1 3.33Å; E465-T468 PolarHBondContact O-OG1 2.73Å; E465-S469 WeakPolarHBondContact O-CB 3.45Å; E465-S469 PolarHBondContact O-N 3.25Å; E465-S469 PolarHBondContact O-OG 3.36Å; E465-K486 IonicContact OE2-NZ 2.73Å
466I85.8Confident80.7Confident1 Ų160.4 Ų60.41%0.00531%0.305CS..Hα-helixtrans-68.8-37.5179.1-66.8158.6000110.5S462 A463 R464 I470 L483 K486 W487S462-I466 WeakPolarHBondContact O-CD1 3.49Å; S462-I466 WeakPolarHBondContact O-CG1 3.46Å; S462-I466 PolarHBondContact O-N 3Å; S462-I466 VanDerWaalsContact O-N 3.08Å; A463-I466 PolarHBondContact O-N 3.12Å; A463-I466 VanDerWaalsContact O-N 3.16Å; R464-I466 VanDerWaalsContact C-N 3.31Å; R464-I466 PolarHBondContact O-N 3.11Å; I466-I470 HydrophobicContact CG2-CD1 3.83Å; I466-I470 HydrophobicContact CG2-CG1 4.48Å; I466-I470 WeakPolarHBondContact O-CB 3.23Å; I466-I470 VanDerWaalsContact O-CG1 3.22Å; I466-I470 WeakPolarHBondContact O-CG1 3.28Å; I466-I470 PolarHBondContact O-N 3.27Å; I466-L483 HydrophobicContact CG2-CB 4.27Å; I466-K486 HydrophobicContact CD1-CB 4.02Å; I466-K486 HydrophobicContact CD1-CD 3.66Å; I466-K486 HydrophobicContact CD1-CG 3.62Å; I466-K486 HydrophobicContact CG1-CD 3.81Å; I466-K486 HydrophobicContact CG1-CG 4.25Å; I466-W487 HydrophobicContact CB-CE3 4.07Å; I466-W487 HydrophobicContact CD1-CE3 4.49Å; I466-W487 HydrophobicContact CG2-CB 3.97Å; I466-W487 HydrophobicContact CG2-CE3 3.84Å
467Q81.9Confident79.6Confident30 Ų3065 Ų6514%0.1433%0.33CS..Hα-helixtrans-70.9-38.3177.7-71.1-174.6-45.600112.8F146 A463 R464 R471 W487F146-Q467 HydrophobicContact CD1-CB 4.33Å; F146-Q467 HydrophobicContact CE1-CB 4.36Å; A463-Q467 WeakPolarHBondContact O-CG 3.48Å; A463-Q467 PolarHBondContact O-N 3.37Å; R464-Q467 PolarHBondContact O-N 3.45Å; R464-Q467 VanDerWaalsContact O-N 3.08Å; Q467-R471 PolarHBondContact O-N 3.06Å; Q467-R471 VanDerWaalsContact O-N 3.16Å; Q467-W487 HydrophobicContact CG-CE3 4.25Å; Q467-W487 HydrophobicContact CG-CH2 3.61Å; Q467-W487 HydrophobicContact CG-CZ3 3.46Å; Q467-W487 VanDerWaalsContact CG-CZ3 3.46Å
468T83.4Confident79Confident46 Ų4667 Ų6728%0.28235%0.353SS..Hα-helixtrans-67.1-47.3172.456.60000110.6R464 E465 I470 R471 E472R464-T468 PolarHBondContact O-N 2.71Å; R464-T468 PolarHBondContact O-OG1 3.18Å; E465-T468 WeakPolarHBondContact CA-OG1 3.33Å; E465-T468 PolarHBondContact O-OG1 2.73Å; T468-I470 VanDerWaalsContact C-N 3.28Å; T468-I470 PolarHBondContact O-N 2.74Å; T468-R471 CarbonylContact O-C 3.48Å; T468-R471 WeakPolarHBondContact O-CA 3.45Å; T468-R471 WeakPolarHBondContact O-CB 3.21Å; T468-R471 PolarHBondContact O-N 3.35Å; T468-E472 WeakPolarHBondContact O-CG 3.39Å; T468-E472 PolarHBondContact O-N 3.06Å
469S85.1Confident78.5Confident38 Ų3863.6 Ų63.627%0.26634%0.338SS..Hα-helixtrans-59.3-33.8177.5-580000113.7E465 M473 L483E465-S469 WeakPolarHBondContact O-CB 3.45Å; E465-S469 PolarHBondContact O-N 3.25Å; E465-S469 PolarHBondContact O-OG 3.36Å; S469-M473 WeakPolarHBondContact O-CB 3.33Å; S469-M473 PolarHBondContact O-N 3.39Å; S469-M473 VanDerWaalsContact O-N 3.15Å; S469-L483 VanDerWaalsContact CB-CD1 3.47Å
470I81.3Confident78Confident6 Ų662.4 Ų62.43%0.03133%0.332CS..Hα-helixtrans-73.6-33.3174.2-72.5170.1000111.5I466 T468 L483 L484 F585 L592I466-I470 HydrophobicContact CG2-CD1 3.83Å; I466-I470 HydrophobicContact CG2-CG1 4.48Å; I466-I470 WeakPolarHBondContact O-CB 3.23Å; I466-I470 VanDerWaalsContact O-CG1 3.22Å; I466-I470 WeakPolarHBondContact O-CG1 3.28Å; I466-I470 PolarHBondContact O-N 3.27Å; T468-I470 VanDerWaalsContact C-N 3.28Å; T468-I470 PolarHBondContact O-N 2.74Å; I470-L483 HydrophobicContact CD1-CB 4.04Å; I470-L483 HydrophobicContact CG1-CB 3.86Å; I470-L483 HydrophobicContact CG1-CD1 3.77Å; I470-L483 HydrophobicContact CG1-CG 4.5Å; I470-L484 HydrophobicContact CD1-CD2 4.25Å; I470-F585 HydrophobicContact CD1-CE2 4.15Å; I470-F585 HydrophobicContact CD1-CZ 3.64Å; I470-L592 HydrophobicContact CG2-CD1 4.23Å
471R77.3Confident77.8Confident150 Ų15067.5 Ų67.557%0.56635%0.353SS*.Hα-helixtrans-72.6-34.2176.1-177-179.6-67.4-863.1112.2Q467 T468Q467-R471 PolarHBondContact O-N 3.06Å; Q467-R471 VanDerWaalsContact O-N 3.16Å; T468-R471 CarbonylContact O-C 3.48Å; T468-R471 WeakPolarHBondContact O-CA 3.45Å; T468-R471 WeakPolarHBondContact O-CB 3.21Å; T468-R471 PolarHBondContact O-N 3.35Å
472E78.2Confident77.7Confident142 Ų14272.2 Ų72.266%0.66436%0.364SS*.Hα-helixtrans-81.8-32-178-71.4160.8-155.900113T468 S474T468-E472 WeakPolarHBondContact O-CG 3.39Å; T468-E472 PolarHBondContact O-N 3.06Å; E472-S474 PolarHBondContact O-N 2.95Å
473M67.6Low77.7Confident60 Ų6072.4 Ų72.430%0.29636%0.363SS..  trans-88.985.4179.5-72.2-162.2-6600113.2S469 S479 L483S469-M473 WeakPolarHBondContact O-CB 3.33Å; S469-M473 PolarHBondContact O-N 3.39Å; S469-M473 VanDerWaalsContact O-N 3.15Å; M473-S479 VanDerWaalsContact CE-OG 3.29Å; M473-S479 WeakPolarHBondContact CE-OG 3.33Å; M473-S479 PolarHBondContact SD-OG 3.41Å; M473-L483 HydrophobicContact CE-CD1 3.25Å; M473-L483 HydrophobicContact CE-CG 4.13Å
474S59.1Low77.6Confident81 Ų8172.9 Ų72.957%0.56637%0.366SS*.  trans-63.3-34.6177.349.10000115.3E472E472-S474 PolarHBondContact O-N 2.95Å
475E61.8Low77.8Confident160 Ų16076.1 Ų76.175%0.74838%0.381SS*.SBendtrans-117.8-16.1-156.4-78.9147.1-129.200116.4
476N63.6Low77.9Confident110 Ų11075.4 Ų75.459%0.58838%0.377SS*.  trans-104.188.6-169-81.4-43.9000114.3G478 S479 V480N476-G478 PolarHBondContact O-N 2.74Å; N476-S479 VanDerWaalsContact CB-OG 3.31Å; N476-S479 WeakPolarHBondContact CB-OG 3.2Å; N476-S479 PolarHBondContact O-N 2.91Å; N476-S479 PolarHBondContact O-OG 3.36Å; N476-V480 PolarHBondContact O-N 3.45Å; N476-V480 VanDerWaalsContact O-N 3.14Å
477N62.9Low77.9Confident96 Ų9675.7 Ų75.751%0.51338%0.377SS..Hα-helixtrans-48.7-36177.6-71.6-45.2000114.5K481N477-K481 WeakPolarHBondContact O-CB 3.23Å; N477-K481 PolarHBondContact O-N 2.71Å; N477-K481 VanDerWaalsContact O-N 3.15Å
478G72.6Confident78.2Confident58 Ų5877.4 Ų77.460%0.59839%0.388SS*.Hα-helixtrans-69.6-39179.600000114N476 R482N476-G478 PolarHBondContact O-N 2.74Å; G478-R482 PolarHBondContact O-N 3.39Å
479S78.9Confident78.4Confident33 Ų3380 Ų8023%0.23140%0.396CS..Hα-helixtrans-75.3-41.3178.664.20000110.9M473 N476 K481 R482 L483M473-S479 VanDerWaalsContact CE-OG 3.29Å; M473-S479 WeakPolarHBondContact CE-OG 3.33Å; M473-S479 PolarHBondContact SD-OG 3.41Å; N476-S479 VanDerWaalsContact CB-OG 3.31Å; N476-S479 WeakPolarHBondContact CB-OG 3.2Å; N476-S479 PolarHBondContact O-N 2.91Å; N476-S479 PolarHBondContact O-OG 3.36Å; S479-K481 VanDerWaalsContact C-N 3.34Å; S479-K481 PolarHBondContact O-N 2.91Å; S479-R482 WeakPolarHBondContact O-CA 3.34Å; S479-R482 WeakPolarHBondContact O-CB 3.4Å; S479-R482 PolarHBondContact O-N 3.36Å; S479-L483 PolarHBondContact O-N 3.29Å
480V79.2Confident78.6Confident2 Ų278.6 Ų78.61%0.01239%0.386CS..Hα-helixtrans-56.6-47.1173.8178.80000110.5N476 R482 L483 L484N476-V480 PolarHBondContact O-N 3.45Å; N476-V480 VanDerWaalsContact O-N 3.14Å; V480-R482 VanDerWaalsContact C-N 3.25Å; V480-R482 PolarHBondContact O-N 2.86Å; V480-L483 PolarHBondContact O-N 2.99Å; V480-L483 VanDerWaalsContact O-N 3.12Å; V480-L484 HydrophobicContact CG1-CD1 4.05Å; V480-L484 HydrophobicContact CG1-CG 4.18Å; V480-L484 WeakPolarHBondContact O-CB 3.35Å; V480-L484 VanDerWaalsContact O-CG 3.29Å; V480-L484 WeakPolarHBondContact O-CG 3.32Å; V480-L484 PolarHBondContact O-N 3.37Å
481K81.1Confident78.7Confident117 Ų11779.8 Ų79.851%0.50939%0.394SS..Hα-helixtrans-62.2-28.9176.6-167.6172.1-173.9171.20113.6N477 S479 K485N477-K481 WeakPolarHBondContact O-CB 3.23Å; N477-K481 PolarHBondContact O-N 2.71Å; N477-K481 VanDerWaalsContact O-N 3.15Å; S479-K481 VanDerWaalsContact C-N 3.34Å; S479-K481 PolarHBondContact O-N 2.91Å; K481-K485 WeakPolarHBondContact O-CG 3.4Å; K481-K485 PolarHBondContact O-N 3.13Å
482R85.7Confident79.2Confident199 Ų19976.3 Ų76.375%0.75138%0.384SS*.Hα-helixtrans-73.7-43.5172.9-172.8-177-71.1176.6-2.8111G478 S479 V480 K485 K486G478-R482 PolarHBondContact O-N 3.39Å; S479-R482 WeakPolarHBondContact O-CA 3.34Å; S479-R482 WeakPolarHBondContact O-CB 3.4Å; S479-R482 PolarHBondContact O-N 3.36Å; V480-R482 VanDerWaalsContact C-N 3.25Å; V480-R482 PolarHBondContact O-N 2.86Å; R482-K485 WeakPolarHBondContact O-CB 3.36Å; R482-K485 PolarHBondContact O-N 2.85Å; R482-K486 PolarHBondContact O-N 3.24Å
483L87.2Confident79.8Confident28 Ų2872.6 Ų72.615%0.14737%0.368CS..Hα-helixtrans-65.5-39.9175.8-70.9-176.3000112.9I466 S469 I470 M473 S479 V480 K485 K486 W487I466-L483 HydrophobicContact CG2-CB 4.27Å; S469-L483 VanDerWaalsContact CB-CD1 3.47Å; I470-L483 HydrophobicContact CD1-CB 4.04Å; I470-L483 HydrophobicContact CG1-CB 3.86Å; I470-L483 HydrophobicContact CG1-CD1 3.77Å; I470-L483 HydrophobicContact CG1-CG 4.5Å; M473-L483 HydrophobicContact CE-CD1 3.25Å; M473-L483 HydrophobicContact CE-CG 4.13Å; S479-L483 PolarHBondContact O-N 3.29Å; V480-L483 PolarHBondContact O-N 2.99Å; V480-L483 VanDerWaalsContact O-N 3.12Å; L483-K485 VanDerWaalsContact C-N 3.26Å; L483-K485 PolarHBondContact O-N 3.41Å; L483-K486 PolarHBondContact O-N 3.12Å; L483-K486 VanDerWaalsContact O-N 3.12Å; L483-W487 WeakPolarHBondContact O-CB 3.25Å; L483-W487 PolarHBondContact O-N 3.12Å
484L85.7Confident80.7Confident12 Ų1270.7 Ų70.76%0.06336%0.358CS..Hα-helixtrans-60-35173-69174.9000112.3I470 V480 L488 F585I470-L484 HydrophobicContact CD1-CD2 4.25Å; V480-L484 HydrophobicContact CG1-CD1 4.05Å; V480-L484 HydrophobicContact CG1-CG 4.18Å; V480-L484 WeakPolarHBondContact O-CB 3.35Å; V480-L484 VanDerWaalsContact O-CG 3.29Å; V480-L484 WeakPolarHBondContact O-CG 3.32Å; V480-L484 PolarHBondContact O-N 3.37Å; L484-L488 VanDerWaalsContact O-CG 3.31Å; L484-L488 WeakPolarHBondContact O-CG 3.37Å; L484-L488 PolarHBondContact O-N 3.3Å; L484-L488 VanDerWaalsContact O-N 3.1Å; L484-F585 HydrophobicContact CD2-CD1 4.44Å; L484-F585 HydrophobicContact CD2-CE1 3.37Å; L484-F585 HydrophobicContact CD2-CZ 3.7Å
485K87.2Confident81.8Confident126 Ų12669.1 Ų69.155%0.54834%0.343SS..Hα-helixtrans-69.8-44.2171.9-73.8177.8177.3-175.10111.9K481 R482 L483 W487 L488 H489K481-K485 WeakPolarHBondContact O-CG 3.4Å; K481-K485 PolarHBondContact O-N 3.13Å; R482-K485 WeakPolarHBondContact O-CB 3.36Å; R482-K485 PolarHBondContact O-N 2.85Å; L483-K485 VanDerWaalsContact C-N 3.26Å; L483-K485 PolarHBondContact O-N 3.41Å; K485-W487 VanDerWaalsContact C-N 3.32Å; K485-W487 PolarHBondContact O-N 3.25Å; K485-L488 PolarHBondContact O-N 2.9Å; K485-H489 PolarHBondContact O-N 2.95Å; K485-H489 VanDerWaalsContact O-N 3.11Å
486K89.7Confident83.1Confident89 Ų8966.1 Ų66.139%0.38733%0.332SS..Hα-helixtrans-58-46.5175.1-164.5-173.7168.3-161.10109.9S462 E465 I466 R482 L483 H489 T490S462-K486 PolarHBondContact OG-NZ 2.95Å; E465-K486 IonicContact OE2-NZ 2.73Å; I466-K486 HydrophobicContact CD1-CB 4.02Å; I466-K486 HydrophobicContact CD1-CD 3.66Å; I466-K486 HydrophobicContact CD1-CG 3.62Å; I466-K486 HydrophobicContact CG1-CD 3.81Å; I466-K486 HydrophobicContact CG1-CG 4.25Å; R482-K486 PolarHBondContact O-N 3.24Å; L483-K486 PolarHBondContact O-N 3.12Å; L483-K486 VanDerWaalsContact O-N 3.12Å; K486-H489 WeakPolarHBondContact O-CB 3.2Å; K486-H489 PolarHBondContact O-N 2.89Å; K486-T490 PolarHBondContact O-N 3.24Å; K486-T490 PolarHBondContact O-OG1 2.87Å; K486-T490 VanDerWaalsContact O-OG1 3.05Å
487W86.7Confident84.3Confident6 Ų661.7 Ų61.72%0.02331%0.309CS..Hα-helixtrans-54.5-54.2175.6-177.7-105000113.3V148 A463 I466 Q467 L483 K485 H489 T490 V491 F585V148-W487 HydrophobicContact CB-CH2 4.23Å; V148-W487 HydrophobicContact CG2-CH2 3.35Å; V148-W487 HydrophobicContact CG2-CZ2 3.64Å; V148-W487 HydrophobicContact CG2-CZ3 4.41Å; A463-W487 HydrophobicContact CB-CE3 4.36Å; A463-W487 HydrophobicContact CB-CH2 4.15Å; A463-W487 HydrophobicContact CB-CZ3 3.55Å; A463-W487 WeakPolarHBondContact O-CZ3 3.38Å; I466-W487 HydrophobicContact CB-CE3 4.07Å; I466-W487 HydrophobicContact CD1-CE3 4.49Å; I466-W487 HydrophobicContact CG2-CB 3.97Å; I466-W487 HydrophobicContact CG2-CE3 3.84Å; Q467-W487 HydrophobicContact CG-CE3 4.25Å; Q467-W487 HydrophobicContact CG-CH2 3.61Å; Q467-W487 HydrophobicContact CG-CZ3 3.46Å; Q467-W487 VanDerWaalsContact CG-CZ3 3.46Å; L483-W487 WeakPolarHBondContact O-CB 3.25Å; L483-W487 PolarHBondContact O-N 3.12Å; K485-W487 VanDerWaalsContact C-N 3.32Å; K485-W487 PolarHBondContact O-N 3.25Å; W487-H489 PolarHBondContact O-N 2.96Å; W487-T490 PolarHBondContact O-N 3.15Å; W487-V491 HydrophobicContact CD2-CG2 4.45Å; W487-V491 HydrophobicContact CZ2-CG2 4.43Å; W487-V491 WeakPolarHBondContact O-CG2 3.35Å; W487-V491 PolarHBondContact O-N 2.62Å; W487-F585 HydrophobicContact CB-CE1 4.42Å; W487-F585 HydrophobicContact CB-CZ 4.3Å; W487-F585 AromaticContact CD1-CD1 3.68Å; W487-F585 AromaticContact CD1-CE1 3.25Å; W487-F585 AromaticContact CD1-CZ 3.66Å; W487-F585 HydrophobicContact CD2-CE1 4.31Å; W487-F585 HydrophobicContact CD2-CE2 4.2Å; W487-F585 AromaticContact CD2-CZ 3.93Å; W487-F585 HydrophobicContact CD2-CZ 3.93Å; W487-F585 AromaticContact CG-CE1 3.76Å; W487-F585 HydrophobicContact CG-CE1 3.76Å; W487-F585 HydrophobicContact CG-CE2 4.43Å; W487-F585 AromaticContact CG-CZ 3.7Å; W487-F585 HydrophobicContact CG-CZ 3.7Å; W487-F585 HydrophobicContact CZ2-CD2 4.25Å; W487-F585 HydrophobicContact CZ2-CE2 4.37Å; W487-F585 AromaticContact NE1-CD1 3.51Å; W487-F585 AromaticContact NE1-CE1 3.52Å; W487-F585 AromaticContact NE1-CG 3.78Å; W487-F585 AromaticContact NE1-CZ 3.83Å
488L87.3Confident85.1Confident67 Ų6759.1 Ų59.135%0.35129%0.293SS..Hα-helixtrans-59.2-36.6179.7-74.7169.1000111.8L484 K485 E492 I605L484-L488 VanDerWaalsContact O-CG 3.31Å; L484-L488 WeakPolarHBondContact O-CG 3.37Å; L484-L488 PolarHBondContact O-N 3.3Å; L484-L488 VanDerWaalsContact O-N 3.1Å; K485-L488 PolarHBondContact O-N 2.9Å; L488-E492 WeakPolarHBondContact O-CB 3.43Å; L488-E492 PolarHBondContact O-N 3.05Å; L488-I605 HydrophobicContact CD1-CG2 4.1Å
489H89.1Confident85.7Confident100 Ų10062.9 Ų62.946%0.46329%0.293SS..Hα-helixtrans-69.7-44.9175.3-174.751.1000112.4K485 K486 W487 V491 E492 L493K485-H489 PolarHBondContact O-N 2.95Å; K485-H489 VanDerWaalsContact O-N 3.11Å; K486-H489 WeakPolarHBondContact O-CB 3.2Å; K486-H489 PolarHBondContact O-N 2.89Å; W487-H489 PolarHBondContact O-N 2.96Å; H489-V491 VanDerWaalsContact C-N 3.29Å; H489-V491 PolarHBondContact O-N 2.75Å; H489-E492 PolarHBondContact O-N 3.31Å; H489-E492 VanDerWaalsContact O-N 3.12Å; H489-L493 WeakPolarHBondContact O-CG 3.28Å; H489-L493 PolarHBondContact O-N 3.02Å
490T89Confident86.1Confident9 Ų965.5 Ų65.56%0.05530%0.3CS..Hα-helixtrans-57.5-41.1174.1-57.20000111.8L459 A463 K486 W487 K494L459-T490 HydrophobicContact CB-CG2 4.11Å; L459-T490 HydrophobicContact CD2-CG2 4.1Å; L459-T490 WeakPolarHBondContact O-CG2 3.27Å; A463-T490 HydrophobicContact CB-CG2 4.09Å; K486-T490 PolarHBondContact O-N 3.24Å; K486-T490 PolarHBondContact O-OG1 2.87Å; K486-T490 VanDerWaalsContact O-OG1 3.05Å; W487-T490 PolarHBondContact O-N 3.15Å; T490-K494 WeakPolarHBondContact O-CB 3.28Å; T490-K494 PolarHBondContact O-N 3.12Å
491V83.6Confident86.5Confident31 Ų3167.2 Ų67.219%0.18831%0.308CS..Hα-helixtrans-66.8-39.8175.1174.60000111.9W487 H489 K494 D495W487-V491 HydrophobicContact CD2-CG2 4.45Å; W487-V491 HydrophobicContact CZ2-CG2 4.43Å; W487-V491 WeakPolarHBondContact O-CG2 3.35Å; W487-V491 PolarHBondContact O-N 2.62Å; H489-V491 VanDerWaalsContact C-N 3.29Å; H489-V491 PolarHBondContact O-N 2.75Å; V491-K494 PolarHBondContact O-N 3.34Å; V491-D495 PolarHBondContact O-N 3.08Å
492E87Confident86.4Confident76 Ų7664.5 Ų64.536%0.35530%0.304SS..Hα-helixtrans-66.1-42.6176.5-179.2169.6-14400112.5L488 H489 D495 N496L488-E492 WeakPolarHBondContact O-CB 3.43Å; L488-E492 PolarHBondContact O-N 3.05Å; H489-E492 PolarHBondContact O-N 3.31Å; H489-E492 VanDerWaalsContact O-N 3.12Å; E492-D495 PolarHBondContact O-N 2.94Å; E492-N496 VanDerWaalsContact O-CG 3.28Å; E492-N496 PolarHBondContact O-N 3.43Å; E492-N496 PolarHBondContact O-ND2 2.98Å; E492-N496 VanDerWaalsContact O-ND2 3.15Å
493L90.4Very high86.4Confident65 Ų6560.7 Ų60.734%0.3430%0.295SS..Hα-helixtrans-61.3-44.4172.8-68176.9000111.3L459 H489 D495 N496 L497L459-L493 HydrophobicContact CD1-CB 3.68Å; L459-L493 HydrophobicContact CD2-CB 4.15Å; L459-L493 HydrophobicContact CD2-CD1 3.95Å; H489-L493 WeakPolarHBondContact O-CG 3.28Å; H489-L493 PolarHBondContact O-N 3.02Å; L493-D495 PolarHBondContact O-N 3.39Å; L493-N496 PolarHBondContact O-N 2.78Å; L493-L497 WeakPolarHBondContact O-CG 3.47Å; L493-L497 PolarHBondContact O-N 2.88Å
494K86.5Confident86.4Confident19 Ų1960 Ų608%0.08329%0.291CS..Hα-helixtrans-61.4-43.3178179.9159.3-170.4158.10112.5V148 L456 L459 E460 T490 V491 L497 F498V148-K494 HydrophobicContact CG1-CD 4.18Å; V148-K494 PolarHBondContact O-NZ 3.32Å; L456-K494 HydrophobicContact CD2-CG 3.85Å; L459-K494 HydrophobicContact CD1-CB 4.15Å; E460-K494 VanDerWaalsContact CD-NZ 3.33Å; E460-K494 IonicContact OE1-NZ 3.25Å; E460-K494 PolarHBondContact OE1-NZ 2.86Å; T490-K494 WeakPolarHBondContact O-CB 3.28Å; T490-K494 PolarHBondContact O-N 3.12Å; V491-K494 PolarHBondContact O-N 3.34Å; K494-L497 PolarHBondContact O-N 2.94Å; K494-F498 HydrophobicContact CD-CE2 3.99Å; K494-F498 VanDerWaalsContact CE-CZ 3.41Å; K494-F498 HydrophobicContact CG-CD2 3.84Å; K494-F498 HydrophobicContact CG-CE2 3.52Å; K494-F498 HydrophobicContact CG-CZ 4.33Å; K494-F498 VanDerWaalsContact O-CD2 3.24Å; K494-F498 WeakPolarHBondContact O-CD2 3.37Å; K494-F498 PolarHBondContact O-N 3.35Å
495D83.3Confident86.4Confident48 Ų4862.5 Ų62.526%0.25730%0.304SS..Hα-helixtrans-63.6-40175.3-81.8-2.3000112.3V491 E492 L493 K499 R578V491-D495 PolarHBondContact O-N 3.08Å; E492-D495 PolarHBondContact O-N 2.94Å; L493-D495 PolarHBondContact O-N 3.39Å; D495-K499 PolarHBondContact O-N 3.24Å; D495-K499 VanDerWaalsContact O-N 3.09Å; D495-R578 VanDerWaalsContact OD2-CD 3.28Å; D495-R578 WeakPolarHBondContact OD2-CD 3.41Å; D495-R578 IonicContact OD2-CZ 3.31Å; D495-R578 IonicContact OD2-NE 2.85Å; D495-R578 PolarHBondContact OD2-NE 3.31Å; D495-R578 IonicContact OD2-NH1 3.77Å; D495-R578 PolarHBondContact OD2-NH1 3.41Å; D495-R578 IonicContact OD2-NH2 3.4Å
496N89.1Confident86.2Confident97 Ų9759 Ų5952%0.51929%0.289SS..Hα-helixtrans-66.6-40.8176.7-70.9-32000112E492 L493 K499 K500E492-N496 VanDerWaalsContact O-CG 3.28Å; E492-N496 PolarHBondContact O-N 3.43Å; E492-N496 PolarHBondContact O-ND2 2.98Å; E492-N496 VanDerWaalsContact O-ND2 3.15Å; L493-N496 PolarHBondContact O-N 2.78Å; N496-K499 WeakPolarHBondContact O-CB 3.46Å; N496-K499 PolarHBondContact O-N 3.39Å; N496-K500 PolarHBondContact O-N 3.18Å
497L87.6Confident86Confident18 Ų1857.9 Ų57.99%0.09428%0.283CS..Hα-helixtrans-66.4-41.2175.6-74.1179000112.4I452 E455 L456 L459 L493 K494 K499 K500 E501I452-L497 HydrophobicContact CG1-CD2 4.22Å; I452-L497 HydrophobicContact CG2-CB 4.16Å; I452-L497 HydrophobicContact CG2-CD2 4.23Å; E455-L497 HydrophobicContact CB-CD1 3.58Å; E455-L497 WeakPolarHBondContact OE2-CD2 3.38Å; L456-L497 HydrophobicContact CD2-CB 3.79Å; L456-L497 HydrophobicContact CD2-CD1 4.22Å; L456-L497 HydrophobicContact CG-CB 4.05Å; L456-L497 HydrophobicContact CG-CD1 4.2Å; L459-L497 HydrophobicContact CD1-CD1 3.63Å; L493-L497 WeakPolarHBondContact O-CG 3.47Å; L493-L497 PolarHBondContact O-N 2.88Å; K494-L497 PolarHBondContact O-N 2.94Å; L497-K499 VanDerWaalsContact C-N 3.28Å; L497-K499 PolarHBondContact O-N 3.04Å; L497-K500 PolarHBondContact O-N 2.94Å; L497-E501 WeakPolarHBondContact O-CB 3.39Å; L497-E501 PolarHBondContact O-N 3.48Å
498F81.3Confident86Confident42 Ų4257.8 Ų57.818%0.18428%0.283CS..Hα-helixtrans-60.1-37.3172-80-50.3000112.7L456 K494 E501 S502L456-F498 HydrophobicContact CD1-CD1 4.2Å; L456-F498 HydrophobicContact CD1-CE1 4.11Å; L456-F498 HydrophobicContact CD2-CD1 4.44Å; L456-F498 HydrophobicContact CD2-CE1 4.3Å; L456-F498 HydrophobicContact CD2-CZ 4.37Å; K494-F498 HydrophobicContact CD-CE2 3.99Å; K494-F498 VanDerWaalsContact CE-CZ 3.41Å; K494-F498 HydrophobicContact CG-CD2 3.84Å; K494-F498 HydrophobicContact CG-CE2 3.52Å; K494-F498 HydrophobicContact CG-CZ 4.33Å; K494-F498 VanDerWaalsContact O-CD2 3.24Å; K494-F498 WeakPolarHBondContact O-CD2 3.37Å; K494-F498 PolarHBondContact O-N 3.35Å; F498-E501 VanDerWaalsContact CD1-OE2 3.25Å; F498-E501 WeakPolarHBondContact CD1-OE2 3.18Å; F498-S502 WeakPolarHBondContact O-CB 3.46Å; F498-S502 PolarHBondContact O-N 2.81Å
499K83.8Confident85.9Confident136 Ų13659 Ų5959%0.59128%0.283SS*.Hα-helixtrans-63.3-46.1174.4-166-164.7173.5-151.20111D495 N496 L497 S502 E503D495-K499 PolarHBondContact O-N 3.24Å; D495-K499 VanDerWaalsContact O-N 3.09Å; N496-K499 WeakPolarHBondContact O-CB 3.46Å; N496-K499 PolarHBondContact O-N 3.39Å; L497-K499 VanDerWaalsContact C-N 3.28Å; L497-K499 PolarHBondContact O-N 3.04Å; K499-S502 PolarHBondContact O-N 3.23Å; K499-E503 PolarHBondContact O-N 2.98Å
500K88.6Confident85.8Confident89 Ų8954.9 Ų54.939%0.38727%0.265SS..Hα-helixtrans-65.3-39.7178.1-167.2-174.8172.9-162.70112.1I452 N496 L497 E503 L504I452-K500 HydrophobicContact CD1-CB 4.06Å; I452-K500 HydrophobicContact CD1-CD 3.57Å; I452-K500 HydrophobicContact CD1-CG 3.64Å; I452-K500 HydrophobicContact CG1-CD 4.14Å; N496-K500 PolarHBondContact O-N 3.18Å; L497-K500 PolarHBondContact O-N 2.94Å; K500-E503 PolarHBondContact O-N 3.16Å; K500-L504 HydrophobicContact CG-CD1 4.27Å; K500-L504 WeakPolarHBondContact O-CB 3.11Å; K500-L504 WeakPolarHBondContact O-CG 3.14Å; K500-L504 PolarHBondContact O-N 3.21Å
501E85.7Confident85.8Confident37 Ų3754.7 Ų54.717%0.17326%0.264CS..Hα-helixtrans-58.1-48.6172.7-170178.8-143.700110.3R160 L449 I452 L497 F498 E503 L504 L505R160-E501 IonicContact CZ-OE1 3.47Å; R160-E501 IonicContact NH2-OE1 3.77Å; R160-E501 PolarHBondContact NH2-OE1 3.34Å; L449-E501 HydrophobicContact CD2-CG 4.32Å; I452-E501 HydrophobicContact CG2-CB 4.03Å; L497-E501 WeakPolarHBondContact O-CB 3.39Å; L497-E501 PolarHBondContact O-N 3.48Å; F498-E501 VanDerWaalsContact CD1-OE2 3.25Å; F498-E501 WeakPolarHBondContact CD1-OE2 3.18Å; E501-E503 PolarHBondContact O-N 2.86Å; E501-L504 PolarHBondContact O-N 3.22Å; E501-L505 HydrophobicContact CG-CD1 4.1Å; E501-L505 WeakPolarHBondContact O-CB 3.43Å; E501-L505 VanDerWaalsContact O-CG 3.24Å; E501-L505 WeakPolarHBondContact O-CG 3.43Å; E501-L505 PolarHBondContact O-N 3.44Å
502S79.2Confident86Confident61 Ų6155 Ų5543%0.42726%0.263SS..Hα-helixtrans-62.4-40.6177.8-169.60000113.2F498 K499 Q506F498-S502 WeakPolarHBondContact O-CB 3.46Å; F498-S502 PolarHBondContact O-N 2.81Å; K499-S502 PolarHBondContact O-N 3.23Å; S502-Q506 WeakPolarHBondContact O-CB 3.49Å; S502-Q506 PolarHBondContact O-N 2.98Å
503E86.4Confident86.1Confident119 Ų11951.7 Ų51.756%0.55625%0.248SC*.Hα-helixtrans-65.8-43.9178.4-174.1177.3155.700111.5K499 K500 E501 Q506 R507K499-E503 PolarHBondContact O-N 2.98Å; K500-E503 PolarHBondContact O-N 3.16Å; E501-E503 PolarHBondContact O-N 2.86Å; E503-Q506 PolarHBondContact O-N 3.14Å; E503-R507 WeakPolarHBondContact O-CB 3.34Å; E503-R507 PolarHBondContact O-N 3.47Å
504L87.7Confident86Confident12 Ų1249.6 Ų49.66%0.06324%0.236CC..Hα-helixtrans-69.8-37.1176.9-70.5173.3000112.8I440 L445 Q448 L449 I452 K500 E501 R507 L508I440-L504 HydrophobicContact CD1-CD2 4.39Å; L445-L504 HydrophobicContact CD2-CD2 3.78Å; Q448-L504 HydrophobicContact CB-CD1 3.69Å; L449-L504 HydrophobicContact CD1-CB 4.36Å; L449-L504 HydrophobicContact CD2-CB 3.68Å; L449-L504 HydrophobicContact CD2-CD1 4.38Å; L449-L504 HydrophobicContact CG-CB 3.93Å; L449-L504 HydrophobicContact CG-CD1 4.33Å; I452-L504 HydrophobicContact CD1-CD1 3.44Å; I452-L504 VanDerWaalsContact CD1-CD1 3.44Å; K500-L504 HydrophobicContact CG-CD1 4.27Å; K500-L504 WeakPolarHBondContact O-CB 3.11Å; K500-L504 WeakPolarHBondContact O-CG 3.14Å; K500-L504 PolarHBondContact O-N 3.21Å; E501-L504 PolarHBondContact O-N 3.22Å; L504-R507 PolarHBondContact O-N 2.88Å; L504-L508 WeakPolarHBondContact O-CB 3.41Å; L504-L508 PolarHBondContact O-N 3.44Å
505L84.5Confident86.1Confident66 Ų6651 Ų5135%0.34625%0.245SC..Hα-helixtrans-64.9-41.1173.3-74.2172.5000111.7L449 E501 L508 R509L449-L505 HydrophobicContact CD1-CD2 4.27Å; L449-L505 HydrophobicContact CD2-CD2 4.05Å; L449-L505 HydrophobicContact CD2-CG 3.91Å; E501-L505 HydrophobicContact CG-CD1 4.1Å; E501-L505 WeakPolarHBondContact O-CB 3.43Å; E501-L505 VanDerWaalsContact O-CG 3.24Å; E501-L505 WeakPolarHBondContact O-CG 3.43Å; E501-L505 PolarHBondContact O-N 3.44Å; L505-L508 PolarHBondContact O-N 3.04Å; L505-R509 WeakPolarHBondContact O-CB 3.3Å; L505-R509 PolarHBondContact O-N 3.41Å
506Q82.9Confident86.4Confident51 Ų5153.2 Ų53.224%0.23825%0.249CC..Hα-helixtrans-64.9-42174.8-171.7175.917.600111.2S502 E503 R509 C510 L560 T564S502-Q506 WeakPolarHBondContact O-CB 3.49Å; S502-Q506 PolarHBondContact O-N 2.98Å; E503-Q506 PolarHBondContact O-N 3.14Å; Q506-R509 PolarHBondContact O-N 2.95Å; Q506-C510 PolarHBondContact O-N 3.37Å; Q506-C510 PolarHBondContact O-SG 2.94Å; Q506-L560 PolarHBondContact NE2-O 3.49Å; Q506-L560 VanDerWaalsContact NE2-O 3.11Å; Q506-T564 PolarHBondContact NE2-OG1 3.03Å
507R86.5Confident86.5Confident66 Ų6650 Ų5025%0.24923%0.231CC..Hα-helixtrans-61.7-47.4174.6174.158.263.871.4-11.8112.2D434 N438 L445 E503 L504 R509 C510 Q511D434-R507 IonicContact OD2-NH2 3.25Å; D434-R507 PolarHBondContact OD2-NH2 2.62Å; N438-R507 PolarHBondContact O-NH1 2.98Å; L445-R507 HydrophobicContact CD1-CG 4.31Å; L445-R507 HydrophobicContact CD2-CG 3.95Å; E503-R507 WeakPolarHBondContact O-CB 3.34Å; E503-R507 PolarHBondContact O-N 3.47Å; L504-R507 PolarHBondContact O-N 2.88Å; R507-R509 VanDerWaalsContact C-N 3.32Å; R507-R509 PolarHBondContact O-N 3.22Å; R507-C510 PolarHBondContact O-N 2.93Å; R507-Q511 PolarHBondContact O-N 3.49Å
508L86.9Confident86.6Confident4 Ų449.1 Ų49.12%0.02123%0.227CC..Hα-helixtrans-55.2-49.9175.1175.362.8000110.2Y442 L445 L449 L504 L505 C510 Q511 E512Y442-L508 HydrophobicContact CD1-CD1 3.59Å; Y442-L508 HydrophobicContact CE1-CD1 3.67Å; L445-L508 HydrophobicContact CD1-CB 4.21Å; L445-L508 HydrophobicContact CD1-CD1 4.14Å; L449-L508 HydrophobicContact CD1-CD2 4.11Å; L504-L508 WeakPolarHBondContact O-CB 3.41Å; L504-L508 PolarHBondContact O-N 3.44Å; L505-L508 PolarHBondContact O-N 3.04Å; L508-C510 VanDerWaalsContact C-N 3.34Å; L508-C510 PolarHBondContact O-N 3.11Å; L508-Q511 PolarHBondContact O-N 2.99Å; L508-Q511 VanDerWaalsContact O-N 3.1Å; L508-E512 HydrophobicContact CD1-CG 4.47Å; L508-E512 WeakPolarHBondContact O-CG 3.45Å; L508-E512 PolarHBondContact O-N 3.03Å
509R85.7Confident87.1Confident93 Ų9351.1 Ų51.135%0.35124%0.239SC..Hα-helixtrans-64.9-35.4-178.9-17157.7179.3170.60.5113.4L505 Q506 R507 E512 L513 L560L505-R509 WeakPolarHBondContact O-CB 3.3Å; L505-R509 PolarHBondContact O-N 3.41Å; Q506-R509 PolarHBondContact O-N 2.95Å; R507-R509 VanDerWaalsContact C-N 3.32Å; R507-R509 PolarHBondContact O-N 3.22Å; R509-E512 WeakPolarHBondContact CD-OE2 3.44Å; R509-E512 IonicContact CZ-OE2 3.27Å; R509-E512 IonicContact NE-OE2 2.64Å; R509-E512 IonicContact NH1-OE2 3.74Å; R509-E512 PolarHBondContact NH1-OE2 3.27Å; R509-L513 WeakPolarHBondContact O-CG 3.49Å; R509-L513 PolarHBondContact O-N 2.86Å; R509-L560 HydrophobicContact CB-CD1 4.22Å; R509-L560 HydrophobicContact CG-CD1 3.64Å; R509-L560 HydrophobicContact CG-CD2 4.33Å
510C86.2Confident87.5Confident14 Ų1445.2 Ų45.210%0.09521%0.214CC..Hα-helixtrans-63.8-42.3172-73.40000111.8Q506 R507 L508 L513 E514Q506-C510 PolarHBondContact O-N 3.37Å; Q506-C510 PolarHBondContact O-SG 2.94Å; R507-C510 PolarHBondContact O-N 2.93Å; L508-C510 VanDerWaalsContact C-N 3.34Å; L508-C510 PolarHBondContact O-N 3.11Å; C510-L513 PolarHBondContact O-N 3.15Å; C510-E514 WeakPolarHBondContact O-CB 3.26Å; C510-E514 VanDerWaalsContact O-CG 3.3Å; C510-E514 WeakPolarHBondContact O-CG 3.46Å; C510-E514 PolarHBondContact O-N 3.11Å
511Q88.2Confident87.6Confident5 Ų542.8 Ų42.82%0.02320%0.204CC..Hα-helixtrans-66.8-41.9177.3-71.3-177.52.900112.4I440 Y442 R507 L508 L513 E514 D515I440-Q511 PolarHBondContact O-NE2 2.81Å; I440-Q511 PolarHBondContact O-OE1 2.92Å; I440-Q511 VanDerWaalsContact O-OE1 3.08Å; Y442-Q511 HydrophobicContact CE1-CB 4.32Å; Y442-Q511 VanDerWaalsContact OH-C 3.27Å; Y442-Q511 PolarHBondContact OH-O 3Å; R507-Q511 PolarHBondContact O-N 3.49Å; L508-Q511 PolarHBondContact O-N 2.99Å; L508-Q511 VanDerWaalsContact O-N 3.1Å; Q511-L513 VanDerWaalsContact C-N 3.29Å; Q511-L513 PolarHBondContact O-N 3.18Å; Q511-E514 WeakPolarHBondContact O-CA 3.44Å; Q511-E514 WeakPolarHBondContact O-CB 3.33Å; Q511-E514 PolarHBondContact O-N 3.07Å; Q511-D515 PolarHBondContact O-N 2.8Å
512E88.3Confident87.9Confident38 Ų3845.2 Ų45.218%0.17821%0.212CC..Hα-helixtrans-57.5-41.4175.6-72.7174.3176.600112.3A379 Y442 L508 R509 R516A379-E512 WeakPolarHBondContact CB-OE1 3.5Å; Y442-E512 HydrophobicContact CE1-CG 4.34Å; Y442-E512 PolarHBondContact OH-N 2.95Å; L508-E512 HydrophobicContact CD1-CG 4.47Å; L508-E512 WeakPolarHBondContact O-CG 3.45Å; L508-E512 PolarHBondContact O-N 3.03Å; R509-E512 WeakPolarHBondContact CD-OE2 3.44Å; R509-E512 IonicContact CZ-OE2 3.27Å; R509-E512 IonicContact NE-OE2 2.64Å; R509-E512 IonicContact NH1-OE2 3.74Å; R509-E512 PolarHBondContact NH1-OE2 3.27Å; E512-R516 WeakPolarHBondContact O-CB 3.29Å; E512-R516 PolarHBondContact O-N 2.93Å
513L88.6Confident88.5Confident5 Ų545.4 Ų45.43%0.02621%0.207CC..Hα-helixtrans-75.2-26176.7-66.4178.6000112.8R509 C510 Q511 H517 V553 K556 R557 L560R509-L513 WeakPolarHBondContact O-CG 3.49Å; R509-L513 PolarHBondContact O-N 2.86Å; C510-L513 PolarHBondContact O-N 3.15Å; Q511-L513 VanDerWaalsContact C-N 3.29Å; Q511-L513 PolarHBondContact O-N 3.18Å; L513-H517 VanDerWaalsContact O-CB 3.22Å; L513-H517 WeakPolarHBondContact O-CB 3.28Å; L513-H517 PolarHBondContact O-N 2.82Å; L513-V553 HydrophobicContact CB-CG1 4.31Å; L513-V553 HydrophobicContact CD2-CG1 4.39Å; L513-V553 WeakPolarHBondContact O-CG1 3.38Å; L513-K556 HydrophobicContact CD1-CB 3.69Å; L513-K556 HydrophobicContact CD2-CB 4.31Å; L513-K556 HydrophobicContact CD2-CD 4.42Å; L513-R557 HydrophobicContact CB-CG 3.57Å; L513-R557 HydrophobicContact CD1-CG 3.87Å; L513-R557 HydrophobicContact CG-CG 4.38Å; L513-L560 HydrophobicContact CD1-CD1 3.52Å
514E88.9Confident88.7Confident21 Ų2140.7 Ų40.710%0.09819%0.185CC..Hα-helixtrans-69.2-45.8172.3-81.8178.5-179.600111.7I431 R432 R433 C510 Q511 H517 A518 R557I431-E514 VanDerWaalsContact O-CB 3.25Å; I431-E514 WeakPolarHBondContact O-CB 3.25Å; I431-E514 VanDerWaalsContact O-CG 3.23Å; I431-E514 WeakPolarHBondContact O-CG 3.36Å; R432-E514 WeakPolarHBondContact CA-OE2 3.47Å; R433-E514 WeakPolarHBondContact CB-OE1 3.14Å; R433-E514 PolarHBondContact N-OE1 2.81Å; R433-E514 PolarHBondContact N-OE2 2.82Å; C510-E514 WeakPolarHBondContact O-CB 3.26Å; C510-E514 VanDerWaalsContact O-CG 3.3Å; C510-E514 WeakPolarHBondContact O-CG 3.46Å; C510-E514 PolarHBondContact O-N 3.11Å; Q511-E514 WeakPolarHBondContact O-CA 3.44Å; Q511-E514 WeakPolarHBondContact O-CB 3.33Å; Q511-E514 PolarHBondContact O-N 3.07Å; E514-H517 PolarHBondContact O-N 3.48Å; E514-A518 PolarHBondContact O-N 3.49Å; E514-R557 VanDerWaalsContact CG-CZ 3.49Å; E514-R557 IonicContact OE1-CZ 2.89Å; E514-R557 IonicContact OE1-NE 2.68Å; E514-R557 IonicContact OE1-NH2 3.46Å; E514-R557 PolarHBondContact OE1-NH2 3.49Å
515D88.8Confident88.7Confident49 Ų4942.3 Ų42.326%0.26219%0.19SC..Hα-helixtrans-65.3-42.9173.7-82.2-49.5000112R428 Y442 Q511 H517 A518 D519R428-D515 IonicContact CZ-OD1 2.87Å; R428-D515 IonicContact NH1-OD1 2.72Å; R428-D515 PolarHBondContact NH1-OD1 2.79Å; R428-D515 PolarHBondContact NH2-O 2.91Å; R428-D515 VanDerWaalsContact NH2-O 3.15Å; R428-D515 IonicContact NH2-OD1 4Å; R428-D515 PolarHBondContact NH2-OD1 2.84Å; Y442-D515 VanDerWaalsContact CE2-OD2 3.25Å; Y442-D515 WeakPolarHBondContact CE2-OD2 3.08Å; Y442-D515 PolarHBondContact OH-OD2 2.54Å; Q511-D515 PolarHBondContact O-N 2.8Å; D515-H517 VanDerWaalsContact C-N 3.32Å; D515-H517 PolarHBondContact O-N 3.04Å; D515-A518 WeakPolarHBondContact O-CB 3.4Å; D515-A518 PolarHBondContact O-N 3.26Å; D515-D519 PolarHBondContact O-N 2.87Å
516R89.8Confident88.9Confident94 Ų9442 Ų4236%0.35519%0.191SC..Hα-helixtrans-62.4-39.3174.9-170.9179.1-178.9102.6-1.2112S382 E512 A518 D519 L520 D549 V553S382-R516 PolarHBondContact OG-NH1 2.81Å; E512-R516 WeakPolarHBondContact O-CB 3.29Å; E512-R516 PolarHBondContact O-N 2.93Å; R516-A518 VanDerWaalsContact C-N 3.35Å; R516-D519 PolarHBondContact O-N 3.43Å; R516-L520 HydrophobicContact CG-CD1 3.99Å; R516-L520 HydrophobicContact CG-CG 4.31Å; R516-L520 WeakPolarHBondContact O-CB 3.45Å; R516-L520 VanDerWaalsContact O-CG 3.25Å; R516-L520 WeakPolarHBondContact O-CG 3.49Å; R516-L520 PolarHBondContact O-N 3.49Å; R516-D549 IonicContact CZ-OD2 3.72Å; R516-D549 IonicContact NE-OD2 3.01Å; R516-D549 PolarHBondContact NE-OD2 3.25Å; R516-D549 IonicContact NH2-OD2 3.24Å; R516-D549 PolarHBondContact NH2-OD2 3.46Å; R516-V553 HydrophobicContact CG-CG2 4.03Å
517H91Very high89.1Confident29 Ų2940.6 Ų40.613%0.13419%0.185CC..Hα-helixtrans-62-44.4175.1-169129.9000110.5I431 L513 E514 D515 D519 L520 E521 L550 V553 R557I431-H517 WeakPolarHBondContact CD1-CD2 3.24Å; L513-H517 VanDerWaalsContact O-CB 3.22Å; L513-H517 WeakPolarHBondContact O-CB 3.28Å; L513-H517 PolarHBondContact O-N 2.82Å; E514-H517 PolarHBondContact O-N 3.48Å; D515-H517 VanDerWaalsContact C-N 3.32Å; D515-H517 PolarHBondContact O-N 3.04Å; H517-D519 PolarHBondContact O-N 3.38Å; H517-L520 PolarHBondContact O-N 2.7Å; H517-E521 WeakPolarHBondContact O-CB 3.24Å; H517-E521 PolarHBondContact O-N 3.06Å; H517-L550 HydrophobicContact CB-CD1 4.45Å; H517-V553 HydrophobicContact CB-CG1 3.86Å; H517-R557 PolarHBondContact ND1-NH1 3.24Å
518A90.1Very high89.1Confident0 Ų043.2 Ų43.20%020%0.202CC..Hα-helixtrans-63.1-37175.900000113.7R428 H429 I431 E514 D515 R516 Y522R428-A518 HydrophobicContact CG-CB 4.36Å; H429-A518 WeakPolarHBondContact O-CB 3.45Å; I431-A518 HydrophobicContact CB-CB 4.34Å; I431-A518 HydrophobicContact CD1-CB 4.35Å; I431-A518 HydrophobicContact CG1-CB 4.25Å; E514-A518 PolarHBondContact O-N 3.49Å; D515-A518 WeakPolarHBondContact O-CB 3.4Å; D515-A518 PolarHBondContact O-N 3.26Å; R516-A518 VanDerWaalsContact C-N 3.35Å; A518-Y522 WeakPolarHBondContact O-CB 3.48Å; A518-Y522 PolarHBondContact O-N 2.93Å
519D90.9Very high89.1Confident84 Ų8446.6 Ų46.645%0.44923%0.23SC..Hα-helixtrans-68.4-45.7176.6-64.1-15.8000111.6R428 D515 R516 H517 Y522 E523R428-D519 IonicContact CZ-OD1 2.7Å; R428-D519 IonicContact NE-OD1 3.21Å; R428-D519 PolarHBondContact NE-OD1 2.87Å; R428-D519 IonicContact NH2-OD1 2.66Å; R428-D519 PolarHBondContact NH2-OD1 3.22Å; D515-D519 PolarHBondContact O-N 2.87Å; R516-D519 PolarHBondContact O-N 3.43Å; H517-D519 PolarHBondContact O-N 3.38Å; D519-Y522 PolarHBondContact O-N 3.01Å; D519-E523 PolarHBondContact O-N 2.94Å
520L91.9Very high89.1Confident13 Ų1346.7 Ų46.77%0.06823%0.233CC..Hα-helixtrans-65.6-44.1177.6-69170.5000112.1R516 H517 Y522 E523 L524 L546 D549 L550 V553R516-L520 HydrophobicContact CG-CD1 3.99Å; R516-L520 HydrophobicContact CG-CG 4.31Å; R516-L520 WeakPolarHBondContact O-CB 3.45Å; R516-L520 VanDerWaalsContact O-CG 3.25Å; R516-L520 WeakPolarHBondContact O-CG 3.49Å; R516-L520 PolarHBondContact O-N 3.49Å; H517-L520 PolarHBondContact O-N 2.7Å; L520-Y522 VanDerWaalsContact C-N 3.31Å; L520-Y522 PolarHBondContact O-N 3.34Å; L520-E523 PolarHBondContact O-N 2.91Å; L520-L524 VanDerWaalsContact O-CB 3.28Å; L520-L524 WeakPolarHBondContact O-CB 3.25Å; L520-L524 PolarHBondContact O-N 2.94Å; L520-L546 HydrophobicContact CD2-CD2 3.5Å; L520-L546 VanDerWaalsContact CD2-CD2 3.5Å; L520-D549 HydrophobicContact CD1-CB 4.07Å; L520-D549 HydrophobicContact CD2-CB 4.04Å; L520-L550 HydrophobicContact CB-CD1 4.17Å; L520-V553 HydrophobicContact CD1-CG2 3.89Å
521E91.5Very high89.2Confident37 Ų3752 Ų5217%0.17326%0.256CS..Hα-helixtrans-63-37.6177-178.3-93.7-176.100111.6H429 I431 H517 R525H429-E521 IonicContact CE1-OE1 3.83Å; H429-E521 IonicContact CG-OE1 3.82Å; H429-E521 IonicContact ND1-OE1 2.72Å; H429-E521 PolarHBondContact ND1-OE1 3.4Å; H429-E521 IonicContact ND1-OE2 2.8Å; I431-E521 HydrophobicContact CD1-CB 3.88Å; I431-E521 HydrophobicContact CD1-CG 3.91Å; H517-E521 WeakPolarHBondContact O-CB 3.24Å; H517-E521 PolarHBondContact O-N 3.06Å; E521-R525 WeakPolarHBondContact O-CB 3.32Å; E521-R525 WeakPolarHBondContact O-CG 3.38Å; E521-R525 PolarHBondContact O-N 3.26Å; E521-R525 WeakPolarHBondContact OE1-CD 3.32Å; E521-R525 IonicContact OE1-CZ 3.55Å; E521-R525 IonicContact OE1-NE 2.82Å; E521-R525 PolarHBondContact OE1-NE 3.12Å; E521-R525 IonicContact OE1-NH2 3.61Å; E521-R525 IonicContact OE2-CZ 3.27Å; E521-R525 VanDerWaalsContact OE2-CZ 3.27Å; E521-R525 IonicContact OE2-NE 3Å; E521-R525 PolarHBondContact OE2-NE 3.41Å; E521-R525 IonicContact OE2-NH2 2.7Å; E521-R525 PolarHBondContact OE2-NH2 3.49Å
522Y91.8Very high89.1Confident88 Ų8856.4 Ų56.435%0.34528%0.28SS..Hα-helixtrans-69.2-44175.2174.6-106.6000112.9L426 R428 A518 D519 L520 T526L426-Y522 HydrophobicContact CB-CE2 4.29Å; L426-Y522 WeakPolarHBondContact O-CE2 3.16Å; R428-Y522 HydrophobicContact CB-CD2 4.11Å; R428-Y522 HydrophobicContact CB-CG 4.11Å; R428-Y522 HydrophobicContact CG-CG 4.49Å; A518-Y522 WeakPolarHBondContact O-CB 3.48Å; A518-Y522 PolarHBondContact O-N 2.93Å; D519-Y522 PolarHBondContact O-N 3.01Å; L520-Y522 VanDerWaalsContact C-N 3.31Å; L520-Y522 PolarHBondContact O-N 3.34Å; Y522-T526 WeakPolarHBondContact O-CB 3.28Å; Y522-T526 PolarHBondContact O-N 2.84Å; Y522-T526 PolarHBondContact O-OG1 3.36Å
523E91.4Very high89Confident66 Ų6661.7 Ų61.731%0.30831%0.308SS..Hα-helixtrans-62.8-44.5176-162.2-179.4147.400110.5D519 L520 T526 L527 R542 L546D519-E523 PolarHBondContact O-N 2.94Å; L520-E523 PolarHBondContact O-N 2.91Å; E523-T526 WeakPolarHBondContact O-CB 3.21Å; E523-T526 PolarHBondContact O-N 3.31Å; E523-T526 VanDerWaalsContact O-N 3.17Å; E523-L527 PolarHBondContact O-N 3.4Å; E523-L527 VanDerWaalsContact O-N 3.12Å; E523-R542 IonicContact OE1-CZ 3.76Å; E523-R542 VanDerWaalsContact OE1-CZ 3.25Å; E523-R542 IonicContact OE1-NE 2.7Å; E523-R542 PolarHBondContact OE1-NE 3.25Å; E523-R542 IonicContact OE1-NH2 2.64Å; E523-R542 PolarHBondContact OE1-NH2 2.94Å; E523-R542 IonicContact OE2-NH2 2.79Å; E523-R542 PolarHBondContact OE2-NH2 3.39Å; E523-R542 VanDerWaalsContact OE2-NH2 3.13Å; E523-L546 HydrophobicContact CB-CD1 3.94Å; E523-L546 HydrophobicContact CB-CD2 4.13Å; E523-L546 HydrophobicContact CG-CD1 3.76Å; E523-L546 HydrophobicContact CG-CD2 4.29Å
524L90.4Very high89Confident19 Ų1967.4 Ų67.410%0.09934%0.338CS..Hα-helixtrans-62.3-47.6177.7-177.260.8000111.8L520 T526 L527 M528 E543 L546 I547 L550L520-L524 VanDerWaalsContact O-CB 3.28Å; L520-L524 WeakPolarHBondContact O-CB 3.25Å; L520-L524 PolarHBondContact O-N 2.94Å; L524-T526 PolarHBondContact O-N 2.92Å; L524-L527 PolarHBondContact O-N 3.19Å; L524-L527 VanDerWaalsContact O-N 3.17Å; L524-M528 HydrophobicContact CD1-CG 4.12Å; L524-M528 HydrophobicContact CD1-SD 4.12Å; L524-M528 HydrophobicContact CD2-SD 4.4Å; L524-M528 HydrophobicContact CG-CG 4.29Å; L524-M528 HydrophobicContact CG-SD 3.87Å; L524-M528 WeakPolarHBondContact O-CB 3.05Å; L524-M528 VanDerWaalsContact O-CG 3.31Å; L524-M528 WeakPolarHBondContact O-CG 3.48Å; L524-M528 PolarHBondContact O-N 3.36Å; L524-E543 HydrophobicContact CD1-CB 4.09Å; L524-E543 HydrophobicContact CD1-CG 4.11Å; L524-L546 HydrophobicContact CB-CB 4.43Å; L524-L546 HydrophobicContact CB-CD1 4.34Å; L524-L546 HydrophobicContact CD1-CB 4.38Å; L524-I547 HydrophobicContact CD1-CD1 4.47Å; L524-I547 HydrophobicContact CD1-CG1 4.15Å; L524-I547 HydrophobicContact CD2-CG1 3.93Å; L524-L550 HydrophobicContact CD2-CD2 4.43Å
525R89Confident89Confident47 Ų4767.5 Ų67.518%0.17734%0.338CS..Hα-helixtrans-58.7-34.7174.1-80.7-170.7-66.1124.1-4113S427 H429 E521 A529S427-R525 VanDerWaalsContact O-CZ 3.28Å; S427-R525 PolarHBondContact O-NH1 3.07Å; S427-R525 PolarHBondContact O-NH2 2.68Å; H429-R525 PolarHBondContact CE1-NH1 2.81Å; H429-R525 VanDerWaalsContact ND1-CZ 3.28Å; H429-R525 PolarHBondContact ND1-NH2 3.38Å; E521-R525 WeakPolarHBondContact O-CB 3.32Å; E521-R525 WeakPolarHBondContact O-CG 3.38Å; E521-R525 PolarHBondContact O-N 3.26Å; E521-R525 WeakPolarHBondContact OE1-CD 3.32Å; E521-R525 IonicContact OE1-CZ 3.55Å; E521-R525 IonicContact OE1-NE 2.82Å; E521-R525 PolarHBondContact OE1-NE 3.12Å; E521-R525 IonicContact OE1-NH2 3.61Å; E521-R525 IonicContact OE2-CZ 3.27Å; E521-R525 VanDerWaalsContact OE2-CZ 3.27Å; E521-R525 IonicContact OE2-NE 3Å; E521-R525 PolarHBondContact OE2-NE 3.41Å; E521-R525 IonicContact OE2-NH2 2.7Å; E521-R525 PolarHBondContact OE2-NH2 3.49Å; R525-A529 PolarHBondContact O-N 2.98Å; R525-A529 VanDerWaalsContact O-N 3.11Å
526T87.8Confident89.1Confident58 Ų5868.3 Ų68.336%0.35635%0.345SS..Hα-helixtrans-68.2-36179-57.60000111.9Y522 E523 L524Y522-T526 WeakPolarHBondContact O-CB 3.28Å; Y522-T526 PolarHBondContact O-N 2.84Å; Y522-T526 PolarHBondContact O-OG1 3.36Å; E523-T526 WeakPolarHBondContact O-CB 3.21Å; E523-T526 PolarHBondContact O-N 3.31Å; E523-T526 VanDerWaalsContact O-N 3.17Å; L524-T526 PolarHBondContact O-N 2.92Å
527L87.7Confident89.2Confident23 Ų2372.3 Ų72.312%0.1237%0.365CS..Hα-helixtrans-75.4-44.7173.7-63.4175.5000111.6E523 L524 A529 K530 K535 E539 R542 E543 L546E523-L527 PolarHBondContact O-N 3.4Å; E523-L527 VanDerWaalsContact O-N 3.12Å; L524-L527 PolarHBondContact O-N 3.19Å; L524-L527 VanDerWaalsContact O-N 3.17Å; L527-A529 PolarHBondContact O-N 2.94Å; L527-A529 VanDerWaalsContact O-N 3.14Å; L527-K530 WeakPolarHBondContact O-CB 3.12Å; L527-K530 PolarHBondContact O-N 3.22Å; L527-K535 WeakPolarHBondContact O-CE 3.42Å; L527-E539 HydrophobicContact CD2-CB 4.46Å; L527-E539 HydrophobicContact CD2-CG 4.35Å; L527-R542 HydrophobicContact CD1-CB 4.07Å; L527-R542 HydrophobicContact CD1-CG 3.79Å; L527-E543 HydrophobicContact CB-CG 3.6Å; L527-E543 VanDerWaalsContact CB-OE1 3.27Å; L527-E543 WeakPolarHBondContact CB-OE1 3.31Å; L527-E543 HydrophobicContact CD1-CG 3.7Å; L527-E543 HydrophobicContact CG-CG 4.29Å; L527-L546 HydrophobicContact CD1-CD1 3.75Å
528M86.6Confident89.2Confident121 Ų12177.3 Ų77.360%0.59639%0.388SS*.Hα-helixtrans-63.8-19.2179.7-70.6-17672.400114.1L524 K530 E543L524-M528 HydrophobicContact CD1-CG 4.12Å; L524-M528 HydrophobicContact CD1-SD 4.12Å; L524-M528 HydrophobicContact CD2-SD 4.4Å; L524-M528 HydrophobicContact CG-CG 4.29Å; L524-M528 HydrophobicContact CG-SD 3.87Å; L524-M528 WeakPolarHBondContact O-CB 3.05Å; L524-M528 VanDerWaalsContact O-CG 3.31Å; L524-M528 WeakPolarHBondContact O-CG 3.48Å; L524-M528 PolarHBondContact O-N 3.36Å; M528-K530 PolarHBondContact O-N 3.15Å; M528-E543 WeakPolarHBondContact CA-OE1 3.45Å; M528-E543 PolarHBondContact N-OE1 3.13Å; M528-E543 VanDerWaalsContact N-OE1 3.15Å
529A86.7Confident89.3Confident74 Ų7479 Ų7961%0.61240%0.396SS*.THydrogen-bonded Turntrans-67.8-16.7172.500000113.5L426 R525 L527L426-A529 HydrophobicContact CD1-CB 4.01Å; R525-A529 PolarHBondContact O-N 2.98Å; R525-A529 VanDerWaalsContact O-N 3.11Å; L527-A529 PolarHBondContact O-N 2.94Å; L527-A529 VanDerWaalsContact O-N 3.14Å
530K86.7Confident89.2Confident95 Ų9579.4 Ų79.441%0.41339%0.394SS..SBendtrans-87.3141.2170.7-59.2-178.4-178-176.40109.6L527 M528 K535 E539L527-K530 WeakPolarHBondContact O-CB 3.12Å; L527-K530 PolarHBondContact O-N 3.22Å; M528-K530 PolarHBondContact O-N 3.15Å; K530-K535 HydrophobicContact CB-CG 4.02Å; K530-K535 WeakPolarHBondContact O-CE 3.3Å; K530-E539 IonicContact NZ-OE1 3.78Å; K530-E539 PolarHBondContact NZ-OE1 2.97Å; K530-E539 IonicContact NZ-OE2 2.91Å
531Q86.4Confident89.3Confident126 Ų12681.4 Ų81.459%0.58941%0.412SS*.  trans-67.5143.6173-66179.5-10.100111I533 L534 K535Q531-I533 HydrophobicContact CB-CG1 4.02Å; Q531-I533 PolarHBondContact O-N 3.18Å; Q531-I533 VanDerWaalsContact O-N 3.07Å; Q531-L534 HydrophobicContact CB-CD1 4.33Å; Q531-L534 HydrophobicContact CB-CG 4.36Å; Q531-L534 WeakPolarHBondContact O-CA 3.38Å; Q531-L534 WeakPolarHBondContact O-CB 3.36Å; Q531-L534 PolarHBondContact O-N 2.85Å; Q531-K535 PolarHBondContact O-N 3.34Å
532D87.2Confident89.4Confident98 Ų9883.6 Ų83.652%0.52442%0.419SS..THydrogen-bonded Turntrans-60.1-23.7-175.4-67.7-37.9000115L534 K535 K540D532-L534 VanDerWaalsContact C-N 3.31Å; D532-K535 VanDerWaalsContact OD1-CE 3.27Å; D532-K535 WeakPolarHBondContact OD1-CE 3.35Å; D532-K535 IonicContact OD1-NZ 3.86Å; D532-K535 PolarHBondContact OD1-NZ 3.34Å; D532-K540 WeakPolarHBondContact O-CE 3.28Å; D532-K540 PolarHBondContact O-NZ 3.12Å
533I87Confident89.4Confident148 Ų14880.3 Ų80.376%0.75941%0.407SS*.THydrogen-bonded Turntrans-74.2-19.4173.236.8170.5000113.3Q531Q531-I533 HydrophobicContact CB-CG1 4.02Å; Q531-I533 PolarHBondContact O-N 3.18Å; Q531-I533 VanDerWaalsContact O-N 3.07Å
534L88.4Confident89.4Confident125 Ų12584.2 Ų84.265%0.65443%0.425SS*.THydrogen-bonded Turntrans-101.3-15.2179.4-56.6179.1000113Q531 D532Q531-L534 HydrophobicContact CB-CD1 4.33Å; Q531-L534 HydrophobicContact CB-CG 4.36Å; Q531-L534 WeakPolarHBondContact O-CA 3.38Å; Q531-L534 WeakPolarHBondContact O-CB 3.36Å; Q531-L534 PolarHBondContact O-N 2.85Å; D532-L534 VanDerWaalsContact C-N 3.31Å
535K88.3Confident89.6Confident24 Ų2488.1 Ų88.110%0.10444%0.442CS..  trans-71.1135.4177.6-66.6179.1-168.8169.70111.6L527 K530 Q531 D532 E539 K540 E543L527-K535 WeakPolarHBondContact O-CE 3.42Å; K530-K535 HydrophobicContact CB-CG 4.02Å; K530-K535 WeakPolarHBondContact O-CE 3.3Å; Q531-K535 PolarHBondContact O-N 3.34Å; D532-K535 VanDerWaalsContact OD1-CE 3.27Å; D532-K535 WeakPolarHBondContact OD1-CE 3.35Å; D532-K535 IonicContact OD1-NZ 3.86Å; D532-K535 PolarHBondContact OD1-NZ 3.34Å; K535-E539 VanDerWaalsContact CA-OE2 3.32Å; K535-E539 WeakPolarHBondContact CA-OE2 3.44Å; K535-E539 HydrophobicContact CB-CB 4.29Å; K535-K540 HydrophobicContact CB-CG 3.98Å; K535-K540 HydrophobicContact CD-CG 4.25Å; K535-E543 WeakPolarHBondContact CD-OE2 3.21Å; K535-E543 WeakPolarHBondContact CE-OE1 3.29Å; K535-E543 WeakPolarHBondContact CE-OE2 3.46Å; K535-E543 IonicContact NZ-OE1 3.8Å; K535-E543 PolarHBondContact NZ-OE1 3.34Å; K535-E543 IonicContact NZ-OE2 2.99Å; K535-E543 PolarHBondContact NZ-OE2 3.16Å
536T91.6Very high89.8Confident65 Ų6586 Ų8640%0.39944%0.435SS..  trans-70.9169.4171.187.40000111.4E538 E539 K540T536-E538 VanDerWaalsContact C-N 3.25Å; T536-E538 WeakPolarHBondContact CB-OE2 3.45Å; T536-E538 PolarHBondContact O-N 2.93Å; T536-E538 PolarHBondContact OG1-N 3.47Å; T536-E538 PolarHBondContact OG1-OE2 2.9Å; T536-E539 HydrophobicContact CG2-CG 4.48Å; T536-E539 PolarHBondContact N-OE2 3.32Å; T536-E539 PolarHBondContact O-N 3Å; T536-E539 PolarHBondContact OG1-N 2.95Å; T536-K540 WeakPolarHBondContact O-CG 3.43Å; T536-K540 PolarHBondContact O-N 3.48Å; T536-K540 VanDerWaalsContact O-N 3.13Å
537K90.9Very high90Very high178 Ų17887.1 Ų87.177%0.77444%0.438SS*.Hα-helixtrans-65.1-35.2176.5-69.8-175.3178.7-178.30111.5K540 A541K537-K540 PolarHBondContact O-N 3.03Å; K537-A541 WeakPolarHBondContact O-CB 3.34Å; K537-A541 PolarHBondContact O-N 3.14Å
538E91.5Very high90.3Very high134 Ų13489.8 Ų89.863%0.62646%0.458SS*.Hα-helixtrans-67.7-39.9178-55.669.3-151.100110.7T536 A541 R542T536-E538 VanDerWaalsContact C-N 3.25Å; T536-E538 WeakPolarHBondContact CB-OE2 3.45Å; T536-E538 PolarHBondContact O-N 2.93Å; T536-E538 PolarHBondContact OG1-N 3.47Å; T536-E538 PolarHBondContact OG1-OE2 2.9Å; E538-A541 PolarHBondContact O-N 2.93Å; E538-R542 WeakPolarHBondContact O-CB 3.36Å; E538-R542 PolarHBondContact O-N 3.19Å
539E91Very high90.7Very high37 Ų3786.3 Ų86.317%0.17344%0.442CS..Hα-helixtrans-65.1-42.5174.1-67.9-179135.900111.9L527 K530 K535 T536 R542 E543L527-E539 HydrophobicContact CD2-CB 4.46Å; L527-E539 HydrophobicContact CD2-CG 4.35Å; K530-E539 IonicContact NZ-OE1 3.78Å; K530-E539 PolarHBondContact NZ-OE1 2.97Å; K530-E539 IonicContact NZ-OE2 2.91Å; K535-E539 VanDerWaalsContact CA-OE2 3.32Å; K535-E539 WeakPolarHBondContact CA-OE2 3.44Å; K535-E539 HydrophobicContact CB-CB 4.29Å; T536-E539 HydrophobicContact CG2-CG 4.48Å; T536-E539 PolarHBondContact N-OE2 3.32Å; T536-E539 PolarHBondContact O-N 3Å; T536-E539 PolarHBondContact OG1-N 2.95Å; E539-R542 WeakPolarHBondContact O-CB 3.49Å; E539-R542 PolarHBondContact O-N 3.26Å; E539-E543 WeakPolarHBondContact O-CG 3.36Å; E539-E543 PolarHBondContact O-N 2.91Å
540K90.5Very high91Very high92 Ų9284.4 Ų84.440%0.442%0.421SS..Hα-helixtrans-64.7-41.9175.7-67.4-177.1-175.7-170.20112.6D532 K535 T536 K537 R542 E543 E544D532-K540 WeakPolarHBondContact O-CE 3.28Å; D532-K540 PolarHBondContact O-NZ 3.12Å; K535-K540 HydrophobicContact CB-CG 3.98Å; K535-K540 HydrophobicContact CD-CG 4.25Å; T536-K540 WeakPolarHBondContact O-CG 3.43Å; T536-K540 PolarHBondContact O-N 3.48Å; T536-K540 VanDerWaalsContact O-N 3.13Å; K537-K540 PolarHBondContact O-N 3.03Å; K540-R542 VanDerWaalsContact C-N 3.27Å; K540-R542 PolarHBondContact O-N 3.03Å; K540-E543 PolarHBondContact O-N 3.01Å; K540-E544 PolarHBondContact O-N 3.45Å
541A93.1Very high91.3Very high55 Ų5584.8 Ų84.846%0.45543%0.428SS..Hα-helixtrans-62.8-35.8173.800000111.8K537 E538 E544 E545K537-A541 WeakPolarHBondContact O-CB 3.34Å; K537-A541 PolarHBondContact O-N 3.14Å; E538-A541 PolarHBondContact O-N 2.93Å; A541-E544 PolarHBondContact O-N 2.95Å; A541-E545 WeakPolarHBondContact O-CB 3.35Å; A541-E545 PolarHBondContact O-N 3.03Å
542R93.4Very high91.6Very high83 Ų8381 Ų8131%0.31341%0.414SS..Hα-helixtrans-69.6-37.2175-173.260.3175.2170.911.4112.5E523 L527 E538 E539 K540 E545 L546E523-R542 IonicContact OE1-CZ 3.76Å; E523-R542 VanDerWaalsContact OE1-CZ 3.25Å; E523-R542 IonicContact OE1-NE 2.7Å; E523-R542 PolarHBondContact OE1-NE 3.25Å; E523-R542 IonicContact OE1-NH2 2.64Å; E523-R542 PolarHBondContact OE1-NH2 2.94Å; E523-R542 IonicContact OE2-NH2 2.79Å; E523-R542 PolarHBondContact OE2-NH2 3.39Å; E523-R542 VanDerWaalsContact OE2-NH2 3.13Å; L527-R542 HydrophobicContact CD1-CB 4.07Å; L527-R542 HydrophobicContact CD1-CG 3.79Å; E538-R542 WeakPolarHBondContact O-CB 3.36Å; E538-R542 PolarHBondContact O-N 3.19Å; E539-R542 WeakPolarHBondContact O-CB 3.49Å; E539-R542 PolarHBondContact O-N 3.26Å; K540-R542 VanDerWaalsContact C-N 3.27Å; K540-R542 PolarHBondContact O-N 3.03Å; R542-E545 WeakPolarHBondContact CD-OE2 3.49Å; R542-E545 IonicContact CZ-OE2 3.79Å; R542-E545 IonicContact NE-OE2 2.72Å; R542-E545 IonicContact NH1-OE1 3.95Å; R542-E545 PolarHBondContact NH1-OE1 2.99Å; R542-E545 IonicContact NH1-OE2 2.74Å; R542-E545 PolarHBondContact NH1-OE2 3.22Å; R542-E545 PolarHBondContact O-N 2.67Å; R542-L546 HydrophobicContact CG-CD1 4.13Å; R542-L546 HydrophobicContact CG-CG 4.45Å; R542-L546 WeakPolarHBondContact O-CB 3.24Å; R542-L546 WeakPolarHBondContact O-CD1 3.22Å; R542-L546 WeakPolarHBondContact O-CG 3.45Å; R542-L546 PolarHBondContact O-N 3.08Å
543E91Very high91.7Very high19 Ų1976.3 Ų76.39%0.08939%0.389CS..Hα-helixtrans-61.8-44.1171.8-71.1-178.2146.400111.8L524 L527 M528 K535 E539 K540 L546 I547L524-E543 HydrophobicContact CD1-CB 4.09Å; L524-E543 HydrophobicContact CD1-CG 4.11Å; L527-E543 HydrophobicContact CB-CG 3.6Å; L527-E543 VanDerWaalsContact CB-OE1 3.27Å; L527-E543 WeakPolarHBondContact CB-OE1 3.31Å; L527-E543 HydrophobicContact CD1-CG 3.7Å; L527-E543 HydrophobicContact CG-CG 4.29Å; M528-E543 WeakPolarHBondContact CA-OE1 3.45Å; M528-E543 PolarHBondContact N-OE1 3.13Å; M528-E543 VanDerWaalsContact N-OE1 3.15Å; K535-E543 WeakPolarHBondContact CD-OE2 3.21Å; K535-E543 WeakPolarHBondContact CE-OE1 3.29Å; K535-E543 WeakPolarHBondContact CE-OE2 3.46Å; K535-E543 IonicContact NZ-OE1 3.8Å; K535-E543 PolarHBondContact NZ-OE1 3.34Å; K535-E543 IonicContact NZ-OE2 2.99Å; K535-E543 PolarHBondContact NZ-OE2 3.16Å; E539-E543 WeakPolarHBondContact O-CG 3.36Å; E539-E543 PolarHBondContact O-N 2.91Å; K540-E543 PolarHBondContact O-N 3.01Å; E543-L546 PolarHBondContact O-N 2.97Å; E543-I547 WeakPolarHBondContact O-CD1 3.48Å; E543-I547 VanDerWaalsContact O-CG1 3.24Å; E543-I547 WeakPolarHBondContact O-CG1 3.42Å; E543-I547 PolarHBondContact O-N 2.74Å
544E92.5Very high91.9Very high147 Ų14772.2 Ų72.269%0.68737%0.371SS*.Hα-helixtrans-62.8-43.1175.5-172.2175-169.800112.1K540 A541 I547 S548K540-E544 PolarHBondContact O-N 3.45Å; A541-E544 PolarHBondContact O-N 2.95Å; E544-I547 PolarHBondContact O-N 2.72Å; E544-S548 PolarHBondContact O-N 2.92Å
545E94.3Very high92Very high101 Ų10170.8 Ų70.847%0.47236%0.364SS..Hα-helixtrans-58.5-49.2172.9-170.8-167.2168.500111.3A541 R542 I547 S548 D549A541-E545 WeakPolarHBondContact O-CB 3.35Å; A541-E545 PolarHBondContact O-N 3.03Å; R542-E545 WeakPolarHBondContact CD-OE2 3.49Å; R542-E545 IonicContact CZ-OE2 3.79Å; R542-E545 IonicContact NE-OE2 2.72Å; R542-E545 IonicContact NH1-OE1 3.95Å; R542-E545 PolarHBondContact NH1-OE1 2.99Å; R542-E545 IonicContact NH1-OE2 2.74Å; R542-E545 PolarHBondContact NH1-OE2 3.22Å; R542-E545 PolarHBondContact O-N 2.67Å; E545-I547 VanDerWaalsContact C-N 3.35Å; E545-I547 PolarHBondContact O-N 3.39Å; E545-S548 WeakPolarHBondContact O-CB 3.42Å; E545-S548 PolarHBondContact O-N 3.27Å; E545-D549 WeakPolarHBondContact O-CB 3.41Å; E545-D549 PolarHBondContact O-N 3.08Å
546L92.6Very high92Very high2 Ų273.4 Ų73.41%0.0138%0.375CS..Hα-helixtrans-63.6-37.1179.9-71.9168000112.6L520 E523 L524 L527 R542 E543 D549 L550L520-L546 HydrophobicContact CD2-CD2 3.5Å; L520-L546 VanDerWaalsContact CD2-CD2 3.5Å; E523-L546 HydrophobicContact CB-CD1 3.94Å; E523-L546 HydrophobicContact CB-CD2 4.13Å; E523-L546 HydrophobicContact CG-CD1 3.76Å; E523-L546 HydrophobicContact CG-CD2 4.29Å; L524-L546 HydrophobicContact CB-CB 4.43Å; L524-L546 HydrophobicContact CB-CD1 4.34Å; L524-L546 HydrophobicContact CD1-CB 4.38Å; L527-L546 HydrophobicContact CD1-CD1 3.75Å; R542-L546 HydrophobicContact CG-CD1 4.13Å; R542-L546 HydrophobicContact CG-CG 4.45Å; R542-L546 WeakPolarHBondContact O-CB 3.24Å; R542-L546 WeakPolarHBondContact O-CD1 3.22Å; R542-L546 WeakPolarHBondContact O-CG 3.45Å; R542-L546 PolarHBondContact O-N 3.08Å; E543-L546 PolarHBondContact O-N 2.97Å; L546-D549 PolarHBondContact O-N 2.91Å; L546-L550 WeakPolarHBondContact O-CB 3.31Å; L546-L550 PolarHBondContact O-N 2.64Å
547I93.3Very high91.8Very high83 Ų8371.8 Ų71.843%0.42636%0.362SS..Hα-helixtrans-64.2-45.8174.5-70.5163.1000110.4L524 E543 E544 E545 L550 L551L524-I547 HydrophobicContact CD1-CD1 4.47Å; L524-I547 HydrophobicContact CD1-CG1 4.15Å; L524-I547 HydrophobicContact CD2-CG1 3.93Å; E543-I547 WeakPolarHBondContact O-CD1 3.48Å; E543-I547 VanDerWaalsContact O-CG1 3.24Å; E543-I547 WeakPolarHBondContact O-CG1 3.42Å; E543-I547 PolarHBondContact O-N 2.74Å; E544-I547 PolarHBondContact O-N 2.72Å; E545-I547 VanDerWaalsContact C-N 3.35Å; E545-I547 PolarHBondContact O-N 3.39Å; I547-L550 PolarHBondContact O-N 2.97Å; I547-L551 HydrophobicContact CG2-CD1 4.28Å; I547-L551 WeakPolarHBondContact O-CG 3.48Å; I547-L551 PolarHBondContact O-N 3.44Å
548S94.4Very high91.6Very high78 Ų7865.2 Ų65.255%0.54534%0.341SS..Hα-helixtrans-60.6-45.1176.1-175.10000112E544 E545 L550 L551 C552E544-S548 PolarHBondContact O-N 2.92Å; E545-S548 WeakPolarHBondContact O-CB 3.42Å; E545-S548 PolarHBondContact O-N 3.27Å; S548-L550 VanDerWaalsContact C-N 3.34Å; S548-L550 PolarHBondContact O-N 3.2Å; S548-L551 PolarHBondContact O-N 3.11Å; S548-C552 WeakPolarHBondContact O-CB 3.2Å; S548-C552 PolarHBondContact O-N 2.92Å
549D93.8Very high91.3Very high49 Ų4964.7 Ų64.726%0.26234%0.339SS..Hα-helixtrans-66.6-37179.2-135.655000111.7R516 L520 E545 L546 C552 V553R516-D549 IonicContact CZ-OD2 3.72Å; R516-D549 IonicContact NE-OD2 3.01Å; R516-D549 PolarHBondContact NE-OD2 3.25Å; R516-D549 IonicContact NH2-OD2 3.24Å; R516-D549 PolarHBondContact NH2-OD2 3.46Å; L520-D549 HydrophobicContact CD1-CB 4.07Å; L520-D549 HydrophobicContact CD2-CB 4.04Å; E545-D549 WeakPolarHBondContact O-CB 3.41Å; E545-D549 PolarHBondContact O-N 3.08Å; L546-D549 PolarHBondContact O-N 2.91Å; D549-C552 PolarHBondContact O-N 3.38Å; D549-V553 WeakPolarHBondContact O-CG2 3.31Å; D549-V553 PolarHBondContact O-N 3.02Å
550L92.7Very high90.8Very high33 Ų3364.5 Ų64.517%0.17334%0.339CS..Hα-helixtrans-66.9-44.7176.4-174.365.3000111.9H517 L520 L524 L546 I547 S548 V553 V554H517-L550 HydrophobicContact CB-CD1 4.45Å; L520-L550 HydrophobicContact CB-CD1 4.17Å; L524-L550 HydrophobicContact CD2-CD2 4.43Å; L546-L550 WeakPolarHBondContact O-CB 3.31Å; L546-L550 PolarHBondContact O-N 2.64Å; I547-L550 PolarHBondContact O-N 2.97Å; S548-L550 VanDerWaalsContact C-N 3.34Å; S548-L550 PolarHBondContact O-N 3.2Å; L550-V553 PolarHBondContact O-N 2.85Å; L550-V554 WeakPolarHBondContact O-CG2 3.24Å; L550-V554 PolarHBondContact O-N 3.47Å
551L93.7Very high89.9Confident104 Ų10462.3 Ų62.355%0.54533%0.334SS..Hα-helixtrans-57.9-48.7172.5-71.8171.4000110.5I547 S548 V553 V554 D555I547-L551 HydrophobicContact CG2-CD1 4.28Å; I547-L551 WeakPolarHBondContact O-CG 3.48Å; I547-L551 PolarHBondContact O-N 3.44Å; S548-L551 PolarHBondContact O-N 3.11Å; L551-V553 VanDerWaalsContact C-N 3.25Å; L551-V553 PolarHBondContact O-N 3.26Å; L551-V554 WeakPolarHBondContact O-CA 3.26Å; L551-V554 WeakPolarHBondContact O-CB 3.47Å; L551-V554 PolarHBondContact O-N 3.37Å; L551-D555 PolarHBondContact O-N 2.86Å
552C92.8Very high88.7Confident45 Ų4566.4 Ų66.430%0.30434%0.344SS..Hα-helixtrans-59.6-33.8177.4-168.10000113.1S548 D549 K556S548-C552 WeakPolarHBondContact O-CB 3.2Å; S548-C552 PolarHBondContact O-N 2.92Å; D549-C552 PolarHBondContact O-N 3.38Å; C552-K556 WeakPolarHBondContact O-CB 3.46Å; C552-K556 VanDerWaalsContact O-CD 3.28Å; C552-K556 WeakPolarHBondContact O-CD 3.45Å; C552-K556 VanDerWaalsContact O-CG 3.22Å; C552-K556 WeakPolarHBondContact O-CG 3.47Å; C552-K556 PolarHBondContact O-N 3.16Å; C552-K556 VanDerWaalsContact SG-CE 3.52Å; C552-K556 PolarHBondContact SG-NZ 3.11Å
553V89.7Confident87.2Confident1 Ų163.3 Ų63.31%0.00634%0.336CS..Hα-helixtrans-72.8-37.3173168.80000112L513 R516 H517 L520 D549 L550 L551 R557L513-V553 HydrophobicContact CB-CG1 4.31Å; L513-V553 HydrophobicContact CD2-CG1 4.39Å; L513-V553 WeakPolarHBondContact O-CG1 3.38Å; R516-V553 HydrophobicContact CG-CG2 4.03Å; H517-V553 HydrophobicContact CB-CG1 3.86Å; L520-V553 HydrophobicContact CD1-CG2 3.89Å; D549-V553 WeakPolarHBondContact O-CG2 3.31Å; D549-V553 PolarHBondContact O-N 3.02Å; L550-V553 PolarHBondContact O-N 2.85Å; L551-V553 VanDerWaalsContact C-N 3.25Å; L551-V553 PolarHBondContact O-N 3.26Å; V553-R557 WeakPolarHBondContact O-CB 3.26Å; V553-R557 VanDerWaalsContact O-CG 3.29Å; V553-R557 WeakPolarHBondContact O-CG 3.49Å; V553-R557 PolarHBondContact O-N 2.85Å
554V90.2Very high85.6Confident62 Ų6266.7 Ų66.738%0.37636%0.358SS..Hα-helixtrans-63.7-45.3174.4169.10000111.1L550 L551 R557 A558L550-V554 WeakPolarHBondContact O-CG2 3.24Å; L550-V554 PolarHBondContact O-N 3.47Å; L551-V554 WeakPolarHBondContact O-CA 3.26Å; L551-V554 WeakPolarHBondContact O-CB 3.47Å; L551-V554 PolarHBondContact O-N 3.37Å; V554-R557 CarbonylContact O-C 3.54Å; V554-R557 WeakPolarHBondContact O-CA 3.49Å; V554-R557 WeakPolarHBondContact O-CB 3.46Å; V554-R557 PolarHBondContact O-N 3.4Å; V554-A558 PolarHBondContact O-N 2.8Å
555D90.3Very high83.7Confident94 Ų9462.8 Ų62.850%0.50336%0.357SS..Hα-helixtrans-59.9-49.6176.9-63.6-26.6000111.1L551 R557 A558 E559L551-D555 PolarHBondContact O-N 2.86Å; D555-R557 PolarHBondContact O-N 3.43Å; D555-A558 WeakPolarHBondContact O-CA 3.32Å; D555-A558 WeakPolarHBondContact O-CB 3.07Å; D555-A558 PolarHBondContact O-N 3.33Å; D555-E559 PolarHBondContact O-N 2.88Å
556K88.8Confident81.2Confident80 Ų8065 Ų6535%0.34837%0.372SS..Hα-helixtrans-58.3-34.7173.7-71.3164-175.9155.50112.5L513 C552 L560L513-K556 HydrophobicContact CD1-CB 3.69Å; L513-K556 HydrophobicContact CD2-CB 4.31Å; L513-K556 HydrophobicContact CD2-CD 4.42Å; C552-K556 WeakPolarHBondContact O-CB 3.46Å; C552-K556 VanDerWaalsContact O-CD 3.28Å; C552-K556 WeakPolarHBondContact O-CD 3.45Å; C552-K556 VanDerWaalsContact O-CG 3.22Å; C552-K556 WeakPolarHBondContact O-CG 3.47Å; C552-K556 PolarHBondContact O-N 3.16Å; C552-K556 VanDerWaalsContact SG-CE 3.52Å; C552-K556 PolarHBondContact SG-NZ 3.11Å; K556-L560 WeakPolarHBondContact O-CG 3.36Å; K556-L560 PolarHBondContact O-N 3.1Å
557R87.3Confident78.8Confident30 Ų3069.7 Ų69.711%0.11339%0.392CS..Hα-helixtrans-71.4-30.6174.5-78.1-179.579.3-155.9-0.1112.1R433 L513 E514 H517 V553 V554 D555 S561R433-R557 PolarHBondContact NH2-O 3.41Å; L513-R557 HydrophobicContact CB-CG 3.57Å; L513-R557 HydrophobicContact CD1-CG 3.87Å; L513-R557 HydrophobicContact CG-CG 4.38Å; E514-R557 VanDerWaalsContact CG-CZ 3.49Å; E514-R557 IonicContact OE1-CZ 2.89Å; E514-R557 IonicContact OE1-NE 2.68Å; E514-R557 IonicContact OE1-NH2 3.46Å; E514-R557 PolarHBondContact OE1-NH2 3.49Å; H517-R557 PolarHBondContact ND1-NH1 3.24Å; V553-R557 WeakPolarHBondContact O-CB 3.26Å; V553-R557 VanDerWaalsContact O-CG 3.29Å; V553-R557 WeakPolarHBondContact O-CG 3.49Å; V553-R557 PolarHBondContact O-N 2.85Å; V554-R557 CarbonylContact O-C 3.54Å; V554-R557 WeakPolarHBondContact O-CA 3.49Å; V554-R557 WeakPolarHBondContact O-CB 3.46Å; V554-R557 PolarHBondContact O-N 3.4Å; D555-R557 PolarHBondContact O-N 3.43Å; R557-S561 PolarHBondContact O-N 2.86Å; R557-S561 PolarHBondContact O-OG 3.43Å
558A86.4Confident76.1Confident40 Ų4074 Ų7433%0.33141%0.411SS..Hα-helixtrans-70.6-49172.800000111.1V554 D555 L560 S561 E562V554-A558 PolarHBondContact O-N 2.8Å; D555-A558 WeakPolarHBondContact O-CA 3.32Å; D555-A558 WeakPolarHBondContact O-CB 3.07Å; D555-A558 PolarHBondContact O-N 3.33Å; A558-L560 VanDerWaalsContact C-N 3.27Å; A558-L560 PolarHBondContact O-N 2.8Å; A558-S561 CarbonylContact O-C 3.36Å; A558-S561 WeakPolarHBondContact O-CA 3.43Å; A558-S561 WeakPolarHBondContact O-CB 3.35Å; A558-S561 PolarHBondContact O-N 3.4Å; A558-E562 PolarHBondContact O-N 2.6Å
559E86.2Confident73.5Confident124 Ų12472.4 Ų72.458%0.57940%0.398SS*.Hα-helixtrans-51.8-43.5174.8-69.2176.3-173.700112.5D555 S561 S563D555-E559 PolarHBondContact O-N 2.88Å; E559-S561 VanDerWaalsContact C-N 3.27Å; E559-S561 PolarHBondContact O-N 3.36Å; E559-S563 VanDerWaalsContact O-CB 3.3Å; E559-S563 WeakPolarHBondContact O-CB 3.21Å; E559-S563 PolarHBondContact O-N 3.46Å; E559-S563 PolarHBondContact O-OG 2.76Å
560L79.3Confident70.9Confident33 Ų3378.3 Ų78.317%0.17342%0.422CS..Hα-helixtrans-69.6-21.6176.4-68.4176.8000114Q506 R509 L513 K556 A558 S563 T564Q506-L560 PolarHBondContact NE2-O 3.49Å; Q506-L560 VanDerWaalsContact NE2-O 3.11Å; R509-L560 HydrophobicContact CB-CD1 4.22Å; R509-L560 HydrophobicContact CG-CD1 3.64Å; R509-L560 HydrophobicContact CG-CD2 4.33Å; L513-L560 HydrophobicContact CD1-CD1 3.52Å; K556-L560 WeakPolarHBondContact O-CG 3.36Å; K556-L560 PolarHBondContact O-N 3.1Å; A558-L560 VanDerWaalsContact C-N 3.27Å; A558-L560 PolarHBondContact O-N 2.8Å; L560-S563 WeakPolarHBondContact CA-OG 3.26Å; L560-S563 PolarHBondContact O-OG 3.47Å; L560-T564 PolarHBondContact O-OG1 3.46Å
561S73.2Confident68.6Low45 Ų4579.7 Ų79.732%0.31543%0.427SS..Hα-helixtrans-85.4-46.4178.3-53.10000111.2R433 R557 A558 E559 S563 T564 G565R433-S561 PolarHBondContact NH1-OG 3.18Å; R433-S561 VanDerWaalsContact NH1-OG 3.09Å; R433-S561 PolarHBondContact NH2-OG 3.05Å; R557-S561 PolarHBondContact O-N 2.86Å; R557-S561 PolarHBondContact O-OG 3.43Å; A558-S561 CarbonylContact O-C 3.36Å; A558-S561 WeakPolarHBondContact O-CA 3.43Å; A558-S561 WeakPolarHBondContact O-CB 3.35Å; A558-S561 PolarHBondContact O-N 3.4Å; E559-S561 VanDerWaalsContact C-N 3.27Å; E559-S561 PolarHBondContact O-N 3.36Å; S561-S563 VanDerWaalsContact C-N 3.29Å; S561-S563 PolarHBondContact O-N 3.3Å; S561-T564 WeakPolarHBondContact O-CA 3.23Å; S561-T564 VanDerWaalsContact O-CB 3.26Å; S561-T564 WeakPolarHBondContact O-CB 3.48Å; S561-T564 PolarHBondContact O-N 3.42Å; S561-G565 PolarHBondContact O-N 3.41Å
562E67.7Low65.7Low141 Ų14184.7 Ų84.766%0.65944%0.439SS*.Hα-helixtrans-59.6-41.8173.3-67.5178.9179.800111.1A558 T564 G565 D566A558-E562 PolarHBondContact O-N 2.6Å; E562-T564 PolarHBondContact O-N 3.16Å; E562-T564 VanDerWaalsContact O-N 3.1Å; E562-G565 PolarHBondContact O-N 2.88Å; E562-D566 PolarHBondContact O-N 2.82Å
563S60.8Low63.2Low19 Ų1986.2 Ų86.213%0.13346%0.455CS..Hα-helixtrans-67.3-3.9171.656.70000114.9E559 L560 S561 F567E559-S563 VanDerWaalsContact O-CB 3.3Å; E559-S563 WeakPolarHBondContact O-CB 3.21Å; E559-S563 PolarHBondContact O-N 3.46Å; E559-S563 PolarHBondContact O-OG 2.76Å; L560-S563 WeakPolarHBondContact CA-OG 3.26Å; L560-S563 PolarHBondContact O-OG 3.47Å; S561-S563 VanDerWaalsContact C-N 3.29Å; S561-S563 PolarHBondContact O-N 3.3Å; S563-F567 VanDerWaalsContact CA-CD2 3.46Å; S563-F567 WeakPolarHBondContact O-CB 3.36Å; S563-F567 VanDerWaalsContact O-CD2 3.23Å; S563-F567 WeakPolarHBondContact O-CD2 3.33Å; S563-F567 WeakPolarHBondContact O-CG 3.35Å
564T58.4Low61Low90 Ų9094.3 Ų94.355%0.55249%0.485SS*.Hα-helixtrans-91.9-30.5166.7-480000112Q506 L560 S561 E562Q506-T564 PolarHBondContact NE2-OG1 3.03Å; L560-T564 PolarHBondContact O-OG1 3.46Å; S561-T564 WeakPolarHBondContact O-CA 3.23Å; S561-T564 VanDerWaalsContact O-CB 3.26Å; S561-T564 WeakPolarHBondContact O-CB 3.48Å; S561-T564 PolarHBondContact O-N 3.42Å; E562-T564 PolarHBondContact O-N 3.16Å; E562-T564 VanDerWaalsContact O-N 3.1Å
565G50.8Low58.7Low65 Ų6594 Ų9467%0.6749%0.486SS*.Hα-helixtrans-75.5-49.3-17900000113.5S561 E562S561-G565 PolarHBondContact O-N 3.41Å; E562-G565 PolarHBondContact O-N 2.88Å
566D43.6Very low56.3Low146 Ų14692.7 Ų92.778%0.78148%0.484SS*.SBendtrans-106.14.8-170.6-75.1-43.7000115E562 E568E562-D566 PolarHBondContact O-N 2.82Å; D566-E568 PolarHBondContact O-N 2.96Å
567F42.2Very low54.4Low102 Ų10290 Ų9045%0.44748%0.479SS..  trans-77.676173.7-84.1-139.9000111.6S563 P569 K570S563-F567 VanDerWaalsContact CA-CD2 3.46Å; S563-F567 WeakPolarHBondContact O-CB 3.36Å; S563-F567 VanDerWaalsContact O-CD2 3.23Å; S563-F567 WeakPolarHBondContact O-CD2 3.33Å; S563-F567 WeakPolarHBondContact O-CG 3.35Å; F567-P569 VanDerWaalsContact C-N 3.26Å; F567-P569 HydrophobicContact CB-CB 4.32Å; F567-P569 HydrophobicContact CD1-CB 4.16Å; F567-P569 WeakPolarHBondContact O-CD 3.44Å; F567-K570 HydrophobicContact CZ-CD 4.25Å; F567-K570 HydrophobicContact CZ-CG 4.41Å
568E36.4Very low52.6Low173 Ų17393.6 Ų93.681%0.80849%0.492SS*.SBend-59102.6122.1-124.3-72.814400104.8D566D566-E568 PolarHBondContact O-N 2.96Å
569P39.4Very low51.1Low44 Ų4498.9 Ų98.929%0.28651%0.508SS..  trans-70.1156.7-149.312.8-16.6000112.2F567 H571 R572F567-P569 VanDerWaalsContact C-N 3.26Å; F567-P569 HydrophobicContact CB-CB 4.32Å; F567-P569 HydrophobicContact CD1-CB 4.16Å; F567-P569 WeakPolarHBondContact O-CD 3.44Å; P569-H571 HydrophobicContact CB-CB 3.93Å; P569-H571 HydrophobicContact CG-CB 3.88Å; P569-H571 CarbonylContact O-C 3.29Å; P569-H571 VanDerWaalsContact O-CA 3.31Å; P569-H571 WeakPolarHBondContact O-CA 3.44Å; P569-H571 WeakPolarHBondContact O-CB 3.32Å; P569-H571 PolarHBondContact O-N 3.44Å; P569-R572 PolarHBondContact O-N 3.39Å
570K39Very low49.8Very low173 Ų17396 Ų9675%0.75250%0.499SS*.THydrogen-bonded Turntrans-55.3-2.7167.8-69.6179.9179.7173.80113.5F567 R572 A573F567-K570 HydrophobicContact CZ-CD 4.25Å; F567-K570 HydrophobicContact CZ-CG 4.41Å; K570-R572 PolarHBondContact O-N 3.35Å; K570-A573 PolarHBondContact O-N 2.89Å
571H43.6Very low48.8Very low63 Ų6397 Ų9729%0.29250%0.504SS..THydrogen-bonded Turntrans-36.7-20.7145.1-89.8-74.2000115.9P569 A573 R574 S575P569-H571 HydrophobicContact CB-CB 3.93Å; P569-H571 HydrophobicContact CG-CB 3.88Å; P569-H571 CarbonylContact O-C 3.29Å; P569-H571 VanDerWaalsContact O-CA 3.31Å; P569-H571 WeakPolarHBondContact O-CA 3.44Å; P569-H571 WeakPolarHBondContact O-CB 3.32Å; P569-H571 PolarHBondContact O-N 3.44Å; H571-A573 PolarHBondContact O-N 3.5Å; H571-R574 CarbonylContact O-C 3.6Å; H571-R574 WeakPolarHBondContact O-CA 3.44Å; H571-R574 PolarHBondContact O-N 2.86Å; H571-S575 WeakPolarHBondContact O-CB 3.47Å; H571-S575 PolarHBondContact O-N 3Å; H571-S575 PolarHBondContact O-OG 3.49Å
572R34Very low48Very low209 Ų20996.4 Ų96.479%0.78950%0.496SS*.Hα-helixtrans-49-33.9172.4-154.7174.7-171.6-173.22.4113.1P569 K570 S575 S576P569-R572 PolarHBondContact O-N 3.39Å; K570-R572 PolarHBondContact O-N 3.35Å; R572-S575 WeakPolarHBondContact CA-OG 3.41Å; R572-S575 PolarHBondContact O-OG 2.91Å; R572-S576 PolarHBondContact O-N 3.38Å
573A38.7Very low48Very low77 Ų7791.3 Ų91.364%0.63648%0.482SS*.Hα-helixtrans-71-41.8171.900000113.5K570 H571 S576 G577K570-A573 PolarHBondContact O-N 2.89Å; H571-A573 PolarHBondContact O-N 3.5Å; A573-S576 WeakPolarHBondContact O-CB 3.42Å; A573-G577 PolarHBondContact O-N 3.04Å; A573-G577 VanDerWaalsContact O-N 3.1Å
574R44.7Very low48.1Very low170 Ų17094.6 Ų94.664%0.64249%0.493SS*.Hα-helixtrans-81.4-22.2179.3-70.2-173.8176-173.70114H571 G577 R578H571-R574 CarbonylContact O-C 3.6Å; H571-R574 WeakPolarHBondContact O-CA 3.44Å; H571-R574 PolarHBondContact O-N 2.86Å; R574-G577 CarbonylContact O-C 3.52Å; R574-G577 VanDerWaalsContact O-C 3.32Å; R574-G577 WeakPolarHBondContact O-CA 3.46Å; R574-G577 PolarHBondContact O-N 2.95Å; R574-G577 VanDerWaalsContact O-N 3.16Å; R574-R578 PolarHBondContact O-N 3.47Å
575S42.1Very low48.4Very low56 Ų5691.1 Ų91.139%0.39247%0.471SS..Hα-helixtrans-79.8-27.3170.868.10000111.8H571 R572 G577 R578 K579H571-S575 WeakPolarHBondContact O-CB 3.47Å; H571-S575 PolarHBondContact O-N 3Å; H571-S575 PolarHBondContact O-OG 3.49Å; R572-S575 WeakPolarHBondContact CA-OG 3.41Å; R572-S575 PolarHBondContact O-OG 2.91Å; S575-G577 VanDerWaalsContact C-N 3.32Å; S575-R578 WeakPolarHBondContact O-CB 3.37Å; S575-R578 PolarHBondContact O-N 3.47Å; S575-K579 PolarHBondContact O-N 3.36Å; S575-K579 VanDerWaalsContact O-N 3.12Å
576S40.3Very low48.9Very low66 Ų6691.4 Ų91.446%0.46245%0.453SS..Hα-helixtrans-59.3-47.4157-166.20000109.7R572 A573 R578 K579 T580R572-S576 PolarHBondContact O-N 3.38Å; A573-S576 WeakPolarHBondContact O-CB 3.42Å; S576-R578 VanDerWaalsContact C-N 3.29Å; S576-R578 PolarHBondContact O-N 3.28Å; S576-K579 WeakPolarHBondContact O-CB 3.35Å; S576-K579 PolarHBondContact O-N 2.84Å; S576-T580 PolarHBondContact O-N 2.8Å; S576-T580 PolarHBondContact O-OG1 2.88Å; S576-T580 VanDerWaalsContact O-OG1 3.11Å
577G47.2Very low49.9Very low24 Ų2488.3 Ų88.325%0.24743%0.434CS..Hα-helixtrans-48.7-43.1166.900000114.1A573 R574 S575 T580 I581A573-G577 PolarHBondContact O-N 3.04Å; A573-G577 VanDerWaalsContact O-N 3.1Å; R574-G577 CarbonylContact O-C 3.52Å; R574-G577 VanDerWaalsContact O-C 3.32Å; R574-G577 WeakPolarHBondContact O-CA 3.46Å; R574-G577 PolarHBondContact O-N 2.95Å; R574-G577 VanDerWaalsContact O-N 3.16Å; S575-G577 VanDerWaalsContact C-N 3.32Å; G577-T580 CarbonylContact O-C 3.6Å; G577-T580 PolarHBondContact O-N 3.1Å; G577-I581 WeakPolarHBondContact O-CB 3.42Å; G577-I581 WeakPolarHBondContact O-CG1 3.43Å; G577-I581 PolarHBondContact O-N 3Å
578R51.1Low50.8Low105 Ų10586.5 Ų86.540%0.39643%0.429SS..Hα-helixtrans-62.9-42.4176-172.1176.2-179.91730.1112.6D495 R574 S575 S576 T580 E582D495-R578 VanDerWaalsContact OD2-CD 3.28Å; D495-R578 WeakPolarHBondContact OD2-CD 3.41Å; D495-R578 IonicContact OD2-CZ 3.31Å; D495-R578 IonicContact OD2-NE 2.85Å; D495-R578 PolarHBondContact OD2-NE 3.31Å; D495-R578 IonicContact OD2-NH1 3.77Å; D495-R578 PolarHBondContact OD2-NH1 3.41Å; D495-R578 IonicContact OD2-NH2 3.4Å; R574-R578 PolarHBondContact O-N 3.47Å; S575-R578 WeakPolarHBondContact O-CB 3.37Å; S575-R578 PolarHBondContact O-N 3.47Å; S576-R578 VanDerWaalsContact C-N 3.29Å; S576-R578 PolarHBondContact O-N 3.28Å; R578-T580 VanDerWaalsContact C-N 3.34Å; R578-E582 VanDerWaalsContact O-CB 3.28Å; R578-E582 WeakPolarHBondContact O-CB 3.36Å; R578-E582 PolarHBondContact O-N 3.34Å
579K54.8Low51.7Low152 Ų15278.4 Ų78.466%0.66139%0.391SS*.Hα-helixtrans-63.9-39.8172.3-68.7-177.3-177.9178.60111.5S575 S576 G583S575-K579 PolarHBondContact O-N 3.36Å; S575-K579 VanDerWaalsContact O-N 3.12Å; S576-K579 WeakPolarHBondContact O-CB 3.35Å; S576-K579 PolarHBondContact O-N 2.84Å; K579-G583 WeakPolarHBondContact O-CA 3.47Å; K579-G583 PolarHBondContact O-N 2.88Å
580T57.8Low52.4Low62 Ų6280.6 Ų80.638%0.3840%0.4SS..Hα-helixtrans-71-38178.8-57.70000112.7S576 G577 R578 K584S576-T580 PolarHBondContact O-N 2.8Å; S576-T580 PolarHBondContact O-OG1 2.88Å; S576-T580 VanDerWaalsContact O-OG1 3.11Å; G577-T580 CarbonylContact O-C 3.6Å; G577-T580 PolarHBondContact O-N 3.1Å; R578-T580 VanDerWaalsContact C-N 3.34Å; T580-K584 HydrophobicContact CG2-CD 4.08Å; T580-K584 HydrophobicContact CG2-CG 4.46Å; T580-K584 VanDerWaalsContact O-CB 3.25Å; T580-K584 WeakPolarHBondContact O-CB 3.26Å; T580-K584 VanDerWaalsContact O-CG 3.24Å; T580-K584 WeakPolarHBondContact O-CG 3.32Å; T580-K584 PolarHBondContact O-N 2.91Å
581I58.7Low53.1Low54 Ų5476.6 Ų76.628%0.27739%0.393SS..Hα-helixtrans-70.1-45175.7-68.6163.3000109.8R147 G577 G583 K584 F585R147-I581 HydrophobicContact CG-CG1 4.14Å; G577-I581 WeakPolarHBondContact O-CB 3.42Å; G577-I581 WeakPolarHBondContact O-CG1 3.43Å; G577-I581 PolarHBondContact O-N 3Å; I581-G583 VanDerWaalsContact C-N 3.34Å; I581-K584 PolarHBondContact O-N 3.5Å; I581-F585 WeakPolarHBondContact O-CB 3.42Å; I581-F585 PolarHBondContact O-N 3.4Å
582E57.3Low53.4Low34 Ų3476.1 Ų76.116%0.15939%0.393CS..Hα-helixtrans-65.6-38174.8-168.6-164.8134.300111.8R578 F585 K586 R606R578-E582 VanDerWaalsContact O-CB 3.28Å; R578-E582 WeakPolarHBondContact O-CB 3.36Å; R578-E582 PolarHBondContact O-N 3.34Å; E582-F585 PolarHBondContact O-N 2.92Å; E582-K586 WeakPolarHBondContact O-CB 3.43Å; E582-K586 VanDerWaalsContact O-CG 3.28Å; E582-K586 WeakPolarHBondContact O-CG 3.46Å; E582-K586 PolarHBondContact O-N 3.34Å; E582-K586 VanDerWaalsContact OE1-CE 3.23Å; E582-K586 WeakPolarHBondContact OE1-CE 3.34Å; E582-K586 IonicContact OE1-NZ 2.89Å; E582-K586 PolarHBondContact OE1-NZ 2.93Å; E582-R606 IonicContact OE1-CZ 3.22Å; E582-R606 IonicContact OE1-NH1 2.84Å; E582-R606 PolarHBondContact OE1-NH1 3.06Å; E582-R606 IonicContact OE1-NH2 2.82Å; E582-R606 IonicContact OE2-CZ 3.96Å; E582-R606 IonicContact OE2-NE 3.13Å; E582-R606 IonicContact OE2-NH1 3.54Å; E582-R606 PolarHBondContact OE2-NH1 3.42Å; E582-R606 IonicContact OE2-NH2 2.73Å; E582-R606 PolarHBondContact OE2-NH2 3.29Å
583G66Low53.7Low34 Ų3477 Ų7735%0.35140%0.396SS..Hα-helixtrans-64.5-48.2174.700000112.2K579 I581 F585 K586 Q587K579-G583 WeakPolarHBondContact O-CA 3.47Å; K579-G583 PolarHBondContact O-N 2.88Å; I581-G583 VanDerWaalsContact C-N 3.34Å; G583-F585 VanDerWaalsContact C-N 3.34Å; G583-F585 PolarHBondContact O-N 3.32Å; G583-K586 WeakPolarHBondContact O-CB 3.46Å; G583-K586 PolarHBondContact O-N 3.16Å; G583-Q587 PolarHBondContact O-N 3.42Å
584K64.1Low54.1Low87 Ų8774.3 Ų74.338%0.37837%0.37SS..Hα-helixtrans-68.1-31.6175.5-71.7-177.7177.8-163.80112.6T580 I581 Q587 I588T580-K584 HydrophobicContact CG2-CD 4.08Å; T580-K584 HydrophobicContact CG2-CG 4.46Å; T580-K584 VanDerWaalsContact O-CB 3.25Å; T580-K584 WeakPolarHBondContact O-CB 3.26Å; T580-K584 VanDerWaalsContact O-CG 3.24Å; T580-K584 WeakPolarHBondContact O-CG 3.32Å; T580-K584 PolarHBondContact O-N 2.91Å; I581-K584 PolarHBondContact O-N 3.5Å; K584-Q587 WeakPolarHBondContact O-CB 3.34Å; K584-Q587 PolarHBondContact O-N 3.4Å; K584-I588 VanDerWaalsContact O-CG1 3.26Å; K584-I588 WeakPolarHBondContact O-CG1 3.33Å; K584-I588 PolarHBondContact O-N 2.94Å
585F63.9Low54.1Low18 Ų1872.1 Ų72.18%0.07938%0.381CS..Hα-helixtrans-72-36.5173-173.9-112.7000112I470 L484 W487 I581 E582 G583 I588 C589I470-F585 HydrophobicContact CD1-CE2 4.15Å; I470-F585 HydrophobicContact CD1-CZ 3.64Å; L484-F585 HydrophobicContact CD2-CD1 4.44Å; L484-F585 HydrophobicContact CD2-CE1 3.37Å; L484-F585 HydrophobicContact CD2-CZ 3.7Å; W487-F585 HydrophobicContact CB-CE1 4.42Å; W487-F585 HydrophobicContact CB-CZ 4.3Å; W487-F585 AromaticContact CD1-CD1 3.68Å; W487-F585 AromaticContact CD1-CE1 3.25Å; W487-F585 AromaticContact CD1-CZ 3.66Å; W487-F585 HydrophobicContact CD2-CE1 4.31Å; W487-F585 HydrophobicContact CD2-CE2 4.2Å; W487-F585 AromaticContact CD2-CZ 3.93Å; W487-F585 HydrophobicContact CD2-CZ 3.93Å; W487-F585 AromaticContact CG-CE1 3.76Å; W487-F585 HydrophobicContact CG-CE1 3.76Å; W487-F585 HydrophobicContact CG-CE2 4.43Å; W487-F585 AromaticContact CG-CZ 3.7Å; W487-F585 HydrophobicContact CG-CZ 3.7Å; W487-F585 HydrophobicContact CZ2-CD2 4.25Å; W487-F585 HydrophobicContact CZ2-CE2 4.37Å; W487-F585 AromaticContact NE1-CD1 3.51Å; W487-F585 AromaticContact NE1-CE1 3.52Å; W487-F585 AromaticContact NE1-CG 3.78Å; W487-F585 AromaticContact NE1-CZ 3.83Å; I581-F585 WeakPolarHBondContact O-CB 3.42Å; I581-F585 PolarHBondContact O-N 3.4Å; E582-F585 PolarHBondContact O-N 2.92Å; G583-F585 VanDerWaalsContact C-N 3.34Å; G583-F585 PolarHBondContact O-N 3.32Å; F585-I588 PolarHBondContact O-N 3.35Å; F585-C589 PolarHBondContact O-N 3.45Å; F585-C589 PolarHBondContact O-SG 3.45Å
586K61.8Low54.4Low70 Ų7072.4 Ų72.430%0.30438%0.383SS..Hα-helixtrans-61.1-44.5165.9-75.3169.1-173.3168.20111.2E582 G583 I588 C589 L590 L602E582-K586 WeakPolarHBondContact O-CB 3.43Å; E582-K586 VanDerWaalsContact O-CG 3.28Å; E582-K586 WeakPolarHBondContact O-CG 3.46Å; E582-K586 PolarHBondContact O-N 3.34Å; E582-K586 VanDerWaalsContact OE1-CE 3.23Å; E582-K586 WeakPolarHBondContact OE1-CE 3.34Å; E582-K586 IonicContact OE1-NZ 2.89Å; E582-K586 PolarHBondContact OE1-NZ 2.93Å; G583-K586 WeakPolarHBondContact O-CB 3.46Å; G583-K586 PolarHBondContact O-N 3.16Å; K586-I588 VanDerWaalsContact C-N 3.33Å; K586-I588 PolarHBondContact O-N 3.16Å; K586-C589 CarbonylContact O-C 3.56Å; K586-C589 WeakPolarHBondContact O-CB 3.26Å; K586-C589 PolarHBondContact O-N 2.88Å; K586-C589 VanDerWaalsContact O-N 3.11Å; K586-L590 WeakPolarHBondContact O-CB 3.44Å; K586-L590 VanDerWaalsContact O-CG 3.24Å; K586-L590 WeakPolarHBondContact O-CG 3.48Å; K586-L590 PolarHBondContact O-N 2.79Å; K586-L602 HydrophobicContact CG-CD1 4.29Å
587Q64.7Low54.7Low82 Ų8271.1 Ų71.138%0.38337%0.371SS..Hα-helixtrans-58.9-43.3176.1-169.370.4-10.200111.3E130 G583 K584 L590 S591E130-Q587 PolarHBondContact OE2-NE2 2.88Å; G583-Q587 PolarHBondContact O-N 3.42Å; K584-Q587 WeakPolarHBondContact O-CB 3.34Å; K584-Q587 PolarHBondContact O-N 3.4Å; Q587-L590 PolarHBondContact O-N 2.87Å; Q587-L590 VanDerWaalsContact O-N 3.16Å; Q587-S591 WeakPolarHBondContact O-CB 3.27Å; Q587-S591 PolarHBondContact O-N 3.15Å; Q587-S591 PolarHBondContact O-OG 3.35Å
588I60.7Low54.4Low64 Ų6473.5 Ų73.533%0.32838%0.384SS..Hα-helixtrans-62.1-42.7172.8-69.2161.8000111.5K584 F585 K586 L590 S591 L592K584-I588 VanDerWaalsContact O-CG1 3.26Å; K584-I588 WeakPolarHBondContact O-CG1 3.33Å; K584-I588 PolarHBondContact O-N 2.94Å; F585-I588 PolarHBondContact O-N 3.35Å; K586-I588 VanDerWaalsContact C-N 3.33Å; K586-I588 PolarHBondContact O-N 3.16Å; I588-L590 VanDerWaalsContact C-N 3.25Å; I588-L590 PolarHBondContact O-N 3.02Å; I588-S591 PolarHBondContact O-N 3.28Å; I588-S591 PolarHBondContact O-OG 2.87Å; I588-L592 HydrophobicContact CG2-CD1 3.78Å; I588-L592 HydrophobicContact CG2-CG 4.35Å; I588-L592 VanDerWaalsContact O-CB 3.31Å; I588-L592 WeakPolarHBondContact O-CB 3.33Å; I588-L592 WeakPolarHBondContact O-CG 3.38Å; I588-L592 PolarHBondContact O-N 2.77Å
589C55.5Low54.3Low3 Ų377 Ų772%0.0241%0.405CS..Hα-helixtrans-66.4-26.3175.2-62.80000113.1F585 K586 H594F585-C589 PolarHBondContact O-N 3.45Å; F585-C589 PolarHBondContact O-SG 3.45Å; K586-C589 CarbonylContact O-C 3.56Å; K586-C589 WeakPolarHBondContact O-CB 3.26Å; K586-C589 PolarHBondContact O-N 2.88Å; K586-C589 VanDerWaalsContact O-N 3.11Å; C589-H594 PolarHBondContact O-CD2 3.26Å
590L54.7Low54Low90 Ų9074.2 Ų74.247%0.47140%0.4SS..Hα-helixtrans-84.2-36.7177.6-70.2167.7000111.9K586 Q587 I588K586-L590 WeakPolarHBondContact O-CB 3.44Å; K586-L590 VanDerWaalsContact O-CG 3.24Å; K586-L590 WeakPolarHBondContact O-CG 3.48Å; K586-L590 PolarHBondContact O-N 2.79Å; Q587-L590 PolarHBondContact O-N 2.87Å; Q587-L590 VanDerWaalsContact O-N 3.16Å; I588-L590 VanDerWaalsContact C-N 3.25Å; I588-L590 PolarHBondContact O-N 3.02Å
591S54.3Low53.4Low88 Ų8875.1 Ų75.162%0.61540%0.403SS*.Hα-helixtrans-74.7-29.6176.966.60000112.6Q587 I588 R593Q587-S591 WeakPolarHBondContact O-CB 3.27Å; Q587-S591 PolarHBondContact O-N 3.15Å; Q587-S591 PolarHBondContact O-OG 3.35Å; I588-S591 PolarHBondContact O-N 3.28Å; I588-S591 PolarHBondContact O-OG 2.87Å; S591-R593 PolarHBondContact O-N 2.93Å
592L49.2Very low52.8Low53 Ų5374.6 Ų74.628%0.27740%0.4SS..THydrogen-bonded Turntrans-7344.4169.1-67.3173000113.2I470 I588 H594I470-L592 HydrophobicContact CG2-CD1 4.23Å; I588-L592 HydrophobicContact CG2-CD1 3.78Å; I588-L592 HydrophobicContact CG2-CG 4.35Å; I588-L592 VanDerWaalsContact O-CB 3.31Å; I588-L592 WeakPolarHBondContact O-CB 3.33Å; I588-L592 WeakPolarHBondContact O-CG 3.38Å; I588-L592 PolarHBondContact O-N 2.77Å; L592-H594 PolarHBondContact O-N 2.9Å
593R39.4Very low52.5Low229 Ų22976 Ų7686%0.86441%0.414SS*.THydrogen-bonded Turntrans39.129.1169.9-70.6-168-177.8-159.82.1117.6S591 S595S591-R593 PolarHBondContact O-N 2.93Å; R593-S595 VanDerWaalsContact C-N 3.26Å; R593-S595 PolarHBondContact O-N 2.95Å; R593-S595 PolarHBondContact O-OG 2.89Å
594H48Very low51.9Low20 Ų2076.9 Ų76.99%0.09342%0.415CS..  trans-78.177.7174-69.7-53000110.6C589 L592 S596 L597C589-H594 PolarHBondContact O-CD2 3.26Å; L592-H594 PolarHBondContact O-N 2.9Å; H594-S596 PolarHBondContact O-N 3.05Å; H594-L597 HydrophobicContact CB-CB 4.01Å; H594-L597 HydrophobicContact CB-CD1 3.81Å; H594-L597 HydrophobicContact CB-CG 4.22Å; H594-L597 PolarHBondContact O-N 2.95Å
595S43.8Very low51.2Low123 Ų12375.3 Ų75.386%0.8641%0.41SS*.THydrogen-bonded Turntrans-57.7-4.7180-51.40000115.2R593R593-S595 VanDerWaalsContact C-N 3.26Å; R593-S595 PolarHBondContact O-N 2.95Å; R593-S595 PolarHBondContact O-OG 2.89Å
596S49.2Very low50.4Low63 Ų6379.1 Ų79.144%0.44142%0.424SS..THydrogen-bonded Turntrans-112.1-6.1177.862.20000114.6H594 S598H594-S596 PolarHBondContact O-N 3.05Å; S596-S598 PolarHBondContact O-N 3.43Å
597L46.3Very low49.9Very low38 Ų3879.4 Ų79.420%0.19943%0.428CS..  trans-87.335.7174.7-85168.8000112.3H594 Q599H594-L597 HydrophobicContact CB-CB 4.01Å; H594-L597 HydrophobicContact CB-CD1 3.81Å; H594-L597 HydrophobicContact CB-CG 4.22Å; H594-L597 PolarHBondContact O-N 2.95Å; L597-Q599 PolarHBondContact O-N 2.73Å
598S42Very low49.5Very low74 Ų7482.6 Ų82.652%0.51744%0.441SS..  trans-65.593.6178.3560000112.3S596 T600S596-S598 PolarHBondContact O-N 3.43Å; S598-T600 PolarHBondContact O-N 2.7Å; S598-T600 PolarHBondContact O-OG1 3.04Å
599Q47.7Very low48.9Very low180 Ų18082.2 Ų82.284%0.84144%0.444SS*.SBendtrans54.4-23.2155.6-59.3-175.20.500120.8L597L597-Q599 PolarHBondContact O-N 2.73Å
600T48.8Very low48.4Very low92 Ų9285.4 Ų85.456%0.56446%0.461SS*.SBendtrans-101.6-24.6-166.257.60000114.6S598 S603S598-T600 PolarHBondContact O-N 2.7Å; S598-T600 PolarHBondContact O-OG1 3.04Å; T600-S603 PolarHBondContact O-OG 3.18Å
601N46.4Very low48.5Very low81 Ų8187.2 Ų87.243%0.43347%0.465SS..Hα-helixtrans-84.6-30.5-169.2-82.8-61.6000114.6
602L45.4Very low48.6Very low44 Ų4490.4 Ų90.423%0.2347%0.468CS..Hα-helixtrans-81-33.1-179.6-83.8159.7000112.9K586 I605 R606K586-L602 HydrophobicContact CG-CD1 4.29Å; L602-I605 PolarHBondContact O-N 3.36Å; L602-R606 PolarHBondContact O-N 3.49Å; L602-R606 VanDerWaalsContact O-N 3.11Å
603S50.7Low48.7Very low64 Ų6490.7 Ų90.745%0.44847%0.472SS..Hα-helixtrans-59.7-45172.545.30000111T600 I605 R606 D607T600-S603 PolarHBondContact O-OG 3.18Å; S603-I605 VanDerWaalsContact C-N 3.32Å; S603-I605 PolarHBondContact O-N 3.49Å; S603-R606 PolarHBondContact O-N 2.84Å; S603-R606 VanDerWaalsContact O-N 3.14Å; S603-D607 WeakPolarHBondContact O-CB 3.22Å; S603-D607 PolarHBondContact O-N 3.29Å
604S52.5Low49.4Very low52 Ų5288.4 Ų88.436%0.36446%0.463SS..Hα-helixtrans-56.8-39.5176.3-1700000113.8K608S604-K608 VanDerWaalsContact O-CG 3.32Å; S604-K608 WeakPolarHBondContact O-CG 3.34Å; S604-K608 PolarHBondContact O-N 3.48Å
605I50.2Low49.8Very low54 Ų5495.8 Ų95.828%0.27750%0.495SS..Hα-helixtrans-68.8-45176.7-64.7168.3000110.3L488 L602 S603 D607 K608 S609L488-I605 HydrophobicContact CD1-CG2 4.1Å; L602-I605 PolarHBondContact O-N 3.36Å; S603-I605 VanDerWaalsContact C-N 3.32Å; S603-I605 PolarHBondContact O-N 3.49Å; I605-D607 VanDerWaalsContact C-N 3.34Å; I605-D607 PolarHBondContact O-N 2.87Å; I605-K608 PolarHBondContact O-N 2.89Å; I605-S609 PolarHBondContact O-N 3.31Å
606R46.2Very low50.2Low98 Ų9895.3 Ų95.337%0.3748%0.482SS..Hα-helixtrans-61.3-43.9178.7-157.7-166.9-170.8141.813.9111.6E582 L602 S603 K608 S609 L610E582-R606 IonicContact OE1-CZ 3.22Å; E582-R606 IonicContact OE1-NH1 2.84Å; E582-R606 PolarHBondContact OE1-NH1 3.06Å; E582-R606 IonicContact OE1-NH2 2.82Å; E582-R606 IonicContact OE2-CZ 3.96Å; E582-R606 IonicContact OE2-NE 3.13Å; E582-R606 IonicContact OE2-NH1 3.54Å; E582-R606 PolarHBondContact OE2-NH1 3.42Å; E582-R606 IonicContact OE2-NH2 2.73Å; E582-R606 PolarHBondContact OE2-NH2 3.29Å; L602-R606 PolarHBondContact O-N 3.49Å; L602-R606 VanDerWaalsContact O-N 3.11Å; S603-R606 PolarHBondContact O-N 2.84Å; S603-R606 VanDerWaalsContact O-N 3.14Å; R606-K608 PolarHBondContact O-N 3.38Å; R606-S609 PolarHBondContact O-N 3.15Å; R606-L610 HydrophobicContact CG-CD1 3.83Å; R606-L610 WeakPolarHBondContact O-CB 3.26Å; R606-L610 WeakPolarHBondContact O-CG 3.44Å; R606-L610 PolarHBondContact O-N 3.44Å
607D52.9Low50.3Low75 Ų7599 Ų9940%0.40149%0.49SS..Hα-helixtrans-62.2-41.7179.2-120.428.6000112.3S603 I605 K611S603-D607 WeakPolarHBondContact O-CB 3.22Å; S603-D607 PolarHBondContact O-N 3.29Å; I605-D607 VanDerWaalsContact C-N 3.34Å; I605-D607 PolarHBondContact O-N 2.87Å; D607-K611 WeakPolarHBondContact O-CB 3.43Å; D607-K611 WeakPolarHBondContact O-CD 3.49Å; D607-K611 WeakPolarHBondContact O-CG 3.21Å; D607-K611 PolarHBondContact O-N 2.69Å; D607-K611 WeakPolarHBondContact OD2-CE 3.28Å; D607-K611 IonicContact OD2-NZ 3.46Å; D607-K611 PolarHBondContact OD2-NZ 2.85Å
608K56.3Low50.6Low149 Ų14999.8 Ų99.865%0.64850%0.502SS*.Hα-helixtrans-64.8-40.2177.5-73.8172-177179.80111.9S604 I605 R606 K612S604-K608 VanDerWaalsContact O-CG 3.32Å; S604-K608 WeakPolarHBondContact O-CG 3.34Å; S604-K608 PolarHBondContact O-N 3.48Å; I605-K608 PolarHBondContact O-N 2.89Å; R606-K608 PolarHBondContact O-N 3.38Å; K608-K612 PolarHBondContact O-N 3.12Å
609S47.3Very low51.3Low57 Ų5799 Ų9940%0.39950%0.496SS..Hα-helixtrans-69.8-48.7175.4-168.80000112I605 R606 K611 K612 V613I605-S609 PolarHBondContact O-N 3.31Å; R606-S609 PolarHBondContact O-N 3.15Å; S609-K611 VanDerWaalsContact C-N 3.35Å; S609-K611 PolarHBondContact O-N 2.78Å; S609-K612 WeakPolarHBondContact O-CB 3.37Å; S609-K612 PolarHBondContact O-N 3.03Å; S609-V613 PolarHBondContact O-N 3.4Å
610L45.5Very low51.5Low69 Ų6994.4 Ų94.436%0.36148%0.481SS..Hα-helixtrans-59.5-40.6177.8-81.1164000112.9R606 K612 V613 R614R606-L610 HydrophobicContact CG-CD1 3.83Å; R606-L610 WeakPolarHBondContact O-CB 3.26Å; R606-L610 WeakPolarHBondContact O-CG 3.44Å; R606-L610 PolarHBondContact O-N 3.44Å; L610-K612 VanDerWaalsContact C-N 3.33Å; L610-K612 PolarHBondContact O-N 2.63Å; L610-V613 PolarHBondContact O-N 3.02Å; L610-R614 WeakPolarHBondContact O-CB 3.25Å; L610-R614 WeakPolarHBondContact O-CG 3.41Å; L610-R614 PolarHBondContact O-N 3.26Å
611K55.9Low51.9Low128 Ų12894.4 Ų94.456%0.55748%0.476SS*.Hα-helixtrans-63.2-38.2174.7-74.8168.2-177.3166.40111.4D607 S609 K615D607-K611 WeakPolarHBondContact O-CB 3.43Å; D607-K611 WeakPolarHBondContact O-CD 3.49Å; D607-K611 WeakPolarHBondContact O-CG 3.21Å; D607-K611 PolarHBondContact O-N 2.69Å; D607-K611 WeakPolarHBondContact OD2-CE 3.28Å; D607-K611 IonicContact OD2-NZ 3.46Å; D607-K611 PolarHBondContact OD2-NZ 2.85Å; S609-K611 VanDerWaalsContact C-N 3.35Å; S609-K611 PolarHBondContact O-N 2.78Å; K611-K615 WeakPolarHBondContact O-CB 3.47Å; K611-K615 PolarHBondContact O-N 3.23Å
612K56.6Low52.4Low155 Ų15593.8 Ų93.867%0.67448%0.478SS*.Hα-helixtrans-67-45.4176.3-157.7174.9-174.7-176.20111.9K608 S609 L610 K615 L616K608-K612 PolarHBondContact O-N 3.12Å; S609-K612 WeakPolarHBondContact O-CB 3.37Å; S609-K612 PolarHBondContact O-N 3.03Å; L610-K612 VanDerWaalsContact C-N 3.33Å; L610-K612 PolarHBondContact O-N 2.63Å; K612-K615 PolarHBondContact O-N 3.24Å; K612-L616 WeakPolarHBondContact O-CG 3.46Å; K612-L616 PolarHBondContact O-N 2.8Å; K612-L616 VanDerWaalsContact O-N 3.09Å
613V52.3Low52.9Low60 Ų60100.8 Ų100.836%0.36450%0.502SS..Hα-helixtrans-64.4-43176.4176.30000111.9S609 L610 L616 K617S609-V613 PolarHBondContact O-N 3.4Å; L610-V613 PolarHBondContact O-N 3.02Å; V613-L616 PolarHBondContact O-N 2.86Å; V613-K617 PolarHBondContact O-N 3.42Å
614R52.6Low53Low181 Ų181102.9 Ų102.968%0.68351%0.507SS*.Hα-helixtrans-62.9-41.8176.1-76.4178.1176.1171.6-1.4112.1L610 L616 K617 A618L610-R614 WeakPolarHBondContact O-CB 3.25Å; L610-R614 WeakPolarHBondContact O-CG 3.41Å; L610-R614 PolarHBondContact O-N 3.26Å; R614-L616 PolarHBondContact O-N 3.04Å; R614-K617 PolarHBondContact O-N 3.2Å; R614-A618 WeakPolarHBondContact O-CB 3.23Å; R614-A618 PolarHBondContact O-N 3.15Å
615K57.4Low53.1Low174 Ų174107 Ų10776%0.75752%0.519SS*.Hα-helixtrans-66.1-36.8178.8-159170.5-172.7178.40112.3K611 K612 S619K611-K615 WeakPolarHBondContact O-CB 3.47Å; K611-K615 PolarHBondContact O-N 3.23Å; K612-K615 PolarHBondContact O-N 3.24Å; K615-S619 PolarHBondContact O-N 3.01Å; K615-S619 VanDerWaalsContact O-N 3.15Å
616L52.7Low53.4Low114 Ų114110.1 Ų110.160%0.59754%0.536SS*.Hα-helixtrans-66.1-51.6172.3-72.9166.3000111.8K612 V613 R614 A618 S619 T620K612-L616 WeakPolarHBondContact O-CG 3.46Å; K612-L616 PolarHBondContact O-N 2.8Å; K612-L616 VanDerWaalsContact O-N 3.09Å; V613-L616 PolarHBondContact O-N 2.86Å; R614-L616 PolarHBondContact O-N 3.04Å; L616-A618 VanDerWaalsContact C-N 3.34Å; L616-A618 PolarHBondContact O-N 3.2Å; L616-S619 PolarHBondContact O-N 3.46Å; L616-T620 PolarHBondContact O-N 3.43Å; L616-T620 PolarHBondContact O-OG1 3.48Å
617K50Low53.7Low141 Ų141113.8 Ų113.861%0.61355%0.554SS**Hα-helixtrans-58.9-42.4177.9-76.7-167.4173.9-168.50112.5V613 R614 T620 I621V613-K617 PolarHBondContact O-N 3.42Å; R614-K617 PolarHBondContact O-N 3.2Å; K617-T620 PolarHBondContact O-N 3.43Å; K617-I621 VanDerWaalsContact O-CG1 3.29Å; K617-I621 WeakPolarHBondContact O-CG1 3.44Å; K617-I621 PolarHBondContact O-N 3.39Å
618A53Low53.7Low53 Ų53115.4 Ų115.444%0.43857%0.567SS.*Hα-helixtrans-59.9-46.6175.900000111.8R614 L616 T620 I621 S622R614-A618 WeakPolarHBondContact O-CB 3.23Å; R614-A618 PolarHBondContact O-N 3.15Å; L616-A618 VanDerWaalsContact C-N 3.34Å; L616-A618 PolarHBondContact O-N 3.2Å; A618-T620 VanDerWaalsContact C-N 3.32Å; A618-T620 PolarHBondContact O-N 3.36Å; A618-I621 PolarHBondContact O-N 2.91Å; A618-S622 PolarHBondContact O-N 3.48Å; A618-S622 PolarHBondContact O-OG 3.41Å
619S56.7Low53.5Low58 Ų58114.6 Ų114.641%0.40657%0.569SS.*Hα-helixtrans-62-36.7177.6-171.50000113K615 L616 R623K615-S619 PolarHBondContact O-N 3.01Å; K615-S619 VanDerWaalsContact O-N 3.15Å; L616-S619 PolarHBondContact O-N 3.46Å; S619-R623 WeakPolarHBondContact O-CB 3.49Å; S619-R623 WeakPolarHBondContact O-CG 3.23Å; S619-R623 PolarHBondContact O-N 3.01Å; S619-R623 VanDerWaalsContact O-N 3.15Å
620T52.5Low53.3Low84 Ų84120.9 Ų120.952%0.51559%0.589SS.*Hα-helixtrans-71.2-41.3176.5-53.20000111.7L616 K617 A618 R623 L624L616-T620 PolarHBondContact O-N 3.43Å; L616-T620 PolarHBondContact O-OG1 3.48Å; K617-T620 PolarHBondContact O-N 3.43Å; A618-T620 VanDerWaalsContact C-N 3.32Å; A618-T620 PolarHBondContact O-N 3.36Å; T620-R623 PolarHBondContact O-N 2.83Å; T620-L624 HydrophobicContact CG2-CD1 4.16Å; T620-L624 PolarHBondContact O-N 3.27Å
621I57.8Low53.2Low92 Ų92131.7 Ų131.747%0.47263%0.625SS.*Hα-helixtrans-66.2-40.9177.9-67.7165.3000111.1K617 A618 R623 L624 K625K617-I621 VanDerWaalsContact O-CG1 3.29Å; K617-I621 WeakPolarHBondContact O-CG1 3.44Å; K617-I621 PolarHBondContact O-N 3.39Å; A618-I621 PolarHBondContact O-N 2.91Å; I621-R623 PolarHBondContact O-N 2.62Å; I621-L624 PolarHBondContact O-N 2.95Å; I621-K625 HydrophobicContact CG2-CD 4.47Å; I621-K625 PolarHBondContact O-N 3.19Å
622S56.6Low53.1Low68 Ų68131.9 Ų131.948%0.47663%0.629SS.*Hα-helixtrans-63.6-38.3173.6-63.20000112.5A618 N626A618-S622 PolarHBondContact O-N 3.48Å; A618-S622 PolarHBondContact O-OG 3.41Å; S622-N626 WeakPolarHBondContact O-CB 3.49Å; S622-N626 PolarHBondContact O-N 3.13Å; S622-N626 VanDerWaalsContact O-N 3.11Å; S622-N626 PolarHBondContact O-OD1 3.09Å
623R55.4Low52.9Low190 Ų190130.6 Ų130.672%0.71763%0.626SS**Hα-helixtrans-68.8-30.6175-78.1179.5177.3-177.8-1.5113.5S619 T620 I621S619-R623 WeakPolarHBondContact O-CB 3.49Å; S619-R623 WeakPolarHBondContact O-CG 3.23Å; S619-R623 PolarHBondContact O-N 3.01Å; S619-R623 VanDerWaalsContact O-N 3.15Å; T620-R623 PolarHBondContact O-N 2.83Å; I621-R623 PolarHBondContact O-N 2.62Å
624L52.4Low52.9Low109 Ų109134.6 Ų134.657%0.57164%0.641SS**Hα-helixtrans-73.5-50.9173.6-80160.1000111T620 I621 N626 K627 T628T620-L624 HydrophobicContact CG2-CD1 4.16Å; T620-L624 PolarHBondContact O-N 3.27Å; I621-L624 PolarHBondContact O-N 2.95Å; L624-N626 VanDerWaalsContact C-N 3.3Å; L624-N626 PolarHBondContact O-N 3.05Å; L624-K627 PolarHBondContact O-N 2.95Å; L624-T628 PolarHBondContact O-N 2.71Å; L624-T628 PolarHBondContact O-OG1 3.08Å
625K55.1Low52.9Low137 Ų137131.8 Ų131.860%0.59664%0.638SS**Hα-helixtrans-58.9-37.5179.5-74.3-167.7171.5-1650113.4I621 K627 T628 I629I621-K625 HydrophobicContact CG2-CD 4.47Å; I621-K625 PolarHBondContact O-N 3.19Å; K625-K627 PolarHBondContact O-N 3.23Å; K625-T628 PolarHBondContact O-N 2.92Å; K625-I629 WeakPolarHBondContact O-CG1 3.44Å
626N55.8Low52.7Low120 Ų120129.2 Ų129.264%0.64263%0.631SS**THydrogen-bonded Turntrans-73.4-13.4176.4-69.617.3000113.6S622 L624S622-N626 WeakPolarHBondContact O-CB 3.49Å; S622-N626 PolarHBondContact O-N 3.13Å; S622-N626 VanDerWaalsContact O-N 3.11Å; S622-N626 PolarHBondContact O-OD1 3.09Å; L624-N626 VanDerWaalsContact C-N 3.3Å; L624-N626 PolarHBondContact O-N 3.05Å
627K53.5Low52.7Low175 Ų175130.2 Ų130.276%0.76163%0.633SS**THydrogen-bonded Turntrans-90.8-23.2174-101.3-173.2171.5-1720113.7L624 K625L624-K627 PolarHBondContact O-N 2.95Å; K625-K627 PolarHBondContact O-N 3.23Å
628T51.6Low52.8Low109 Ų109129.4 Ų129.467%0.66964%0.635SS**SBendtrans-91.34.6177.4-0.20000114.6L624 K625L624-T628 PolarHBondContact O-N 2.71Å; L624-T628 PolarHBondContact O-OG1 3.08Å; K625-T628 PolarHBondContact O-N 2.92Å
629I52.2Low52.8Low132 Ų132135.3 Ų135.368%0.67765%0.65SS**SBendtrans-111.13.3176.5-62.3170.9000111K625K625-I629 WeakPolarHBondContact O-CG1 3.44Å
630F43.9Very low52.5Low190 Ų190141.8 Ų141.883%0.83367%0.67SS**  trans-12530.8178.8-96.5-81.9000112.7
631R43.4Very low52.5Low295 Ų295147 Ų147100%1.11368%0.684SS**  trans-146.70165-93.5-167.9174.2-163.6-3.1107.9

Retrieved 631 of 631 residues in 494.2 ms (Link to these results)

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