A0A096ML56_PAPAN Loading...

Plastin-3

Actin-bundling protein.

AlphaFold DB (P13797), UniProt , Accession A0A096ML56, Species PAPAN (Papio anubis, Olive baboon), Gene PLS3, Length 630 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.7Very low51.1Low239 Ų239136.7 Ų136.7100%1.17773%0.725SS**  081.40-164.2179.678.100106.7
2D36.4Very low52.7Low160 Ų160133.3 Ų133.386%0.85671%0.707SS**  trans-155.880.4152.5-138.10.7000103.1M4D2-M4 PolarHBondContact O-N 3.18Å
3E38.4Very low54.4Low190 Ų190129.8 Ų129.889%0.88869%0.685SS**  trans-66.3111.3171.8-78.6178.4162.700105.9A5E3-A5 PolarHBondContact O-N 3.32Å; E3-A5 VanDerWaalsContact O-N 3.16Å
4M43Very low56.2Low151 Ų151124.5 Ų124.574%0.74466%0.656SS**  trans-46.6121.2-177.2-75.2-178.5166.400110.3D2 T6D2-M4 PolarHBondContact O-N 3.18Å; M4-T6 PolarHBondContact O-N 2.94Å; M4-T6 PolarHBondContact O-OG1 3.16Å
5A40.5Very low57.5Low96 Ų96120 Ų12079%0.79363%0.633SS**  trans-59.382.816200000108.6E3 T7E3-A5 PolarHBondContact O-N 3.32Å; E3-A5 VanDerWaalsContact O-N 3.16Å; A5-T7 PolarHBondContact O-N 2.72Å
6T43.4Very low58.7Low122 Ų122120.3 Ų120.375%0.74863%0.63SS**  trans-7090.2166.918.30000105.9M4 Q8M4-T6 PolarHBondContact O-N 2.94Å; M4-T6 PolarHBondContact O-OG1 3.16Å; T6-Q8 PolarHBondContact O-N 2.88Å
7T50.2Low60.2Low85 Ų85114.2 Ų114.252%0.52160%0.598SS.*  trans-45.5124.5162.527.20000108.4A5 I9 Q82A5-T7 PolarHBondContact O-N 2.72Å; T7-I9 WeakPolarHBondContact O-CG1 3.45Å; T7-I9 PolarHBondContact O-N 3.19Å; T7-Q82 PolarHBondContact O-NE2 3.49Å; T7-Q82 VanDerWaalsContact OG1-CD 3.23Å; T7-Q82 PolarHBondContact OG1-NE2 3.23Å; T7-Q82 PolarHBondContact OG1-OE1 3.16Å
8Q58.3Low61.5Low200 Ų200113.1 Ų113.194%0.93559%0.587SS**  trans-47.996.8-177.1-74.6170.7-15.800111.3T6T6-Q8 PolarHBondContact O-N 2.88Å
9I68Low62.3Low48 Ų48109.7 Ų109.725%0.24657%0.569CS.*  trans-87.3129166.1-53.1-178.9000106.1T7 E13 L14 L17 V78 Q82T7-I9 WeakPolarHBondContact O-CG1 3.45Å; T7-I9 PolarHBondContact O-N 3.19Å; I9-E13 HydrophobicContact CG2-CB 3.49Å; I9-E13 VanDerWaalsContact CG2-CB 3.49Å; I9-L14 HydrophobicContact CD1-CD1 4.32Å; I9-L14 HydrophobicContact CG2-CB 3.99Å; I9-L17 HydrophobicContact CD1-CD1 4.3Å; I9-V78 HydrophobicContact CD1-CG1 3.21Å; I9-Q82 HydrophobicContact CD1-CG 4.27Å
10S77.6Confident63.3Low54 Ų54104.8 Ų104.838%0.37855%0.545SS..  trans-62.9155.9170.1630000110.4D12 E13 L14S10-D12 PolarHBondContact O-N 2.8Å; S10-E13 PolarHBondContact N-OE2 3.01Å; S10-E13 PolarHBondContact O-N 2.85Å; S10-E13 WeakPolarHBondContact OG-CB 3.25Å; S10-E13 WeakPolarHBondContact OG-CG 3.47Å; S10-E13 PolarHBondContact OG-N 3.24Å; S10-E13 PolarHBondContact OG-OE2 3.09Å; S10-L14 PolarHBondContact O-N 3.15Å
11K75.8Confident64.3Low159 Ų159100.5 Ų100.569%0.69152%0.522SS*.Hα-helixtrans-57.4-38.8177.5-172.3-177.6173.8-169.40111.5L14 D15K11-L14 WeakPolarHBondContact O-CB 3.27Å; K11-L14 PolarHBondContact O-N 3.41Å; K11-D15 PolarHBondContact O-N 2.52Å
12D70Confident66.6Low95 Ų9591.6 Ų91.651%0.50849%0.487SS..Hα-helixtrans-66.5-47.2-179.2-58.4-17.2000111.4S10 L14 D15 E16S10-D12 PolarHBondContact O-N 2.8Å; D12-L14 VanDerWaalsContact C-N 3.27Å; D12-L14 PolarHBondContact O-N 3.15Å; D12-D15 PolarHBondContact O-N 2.59Å; D12-E16 WeakPolarHBondContact O-CG 3.44Å; D12-E16 PolarHBondContact O-N 3.16Å
13E75.5Confident68.4Low89 Ų8986.8 Ų86.842%0.41646%0.458SS..Hα-helixtrans-61.1-35.4174.3-76.7170.4141.900112.2I9 S10 L17I9-E13 HydrophobicContact CG2-CB 3.49Å; I9-E13 VanDerWaalsContact CG2-CB 3.49Å; S10-E13 PolarHBondContact N-OE2 3.01Å; S10-E13 PolarHBondContact O-N 2.85Å; S10-E13 WeakPolarHBondContact OG-CB 3.25Å; S10-E13 WeakPolarHBondContact OG-CG 3.47Å; S10-E13 PolarHBondContact OG-N 3.24Å; S10-E13 PolarHBondContact OG-OE2 3.09Å; E13-L17 WeakPolarHBondContact O-CB 3.47Å; E13-L17 VanDerWaalsContact O-CG 3.24Å; E13-L17 WeakPolarHBondContact O-CG 3.48Å; E13-L17 PolarHBondContact O-N 2.88Å
14L79.7Confident70.5Confident55 Ų5577.7 Ų77.729%0.28842%0.416SS..Hα-helixtrans-67.4-40.7177.8-171.672000111.3I9 S10 K11 D12 L17 K18 F74 V78I9-L14 HydrophobicContact CD1-CD1 4.32Å; I9-L14 HydrophobicContact CG2-CB 3.99Å; S10-L14 PolarHBondContact O-N 3.15Å; K11-L14 WeakPolarHBondContact O-CB 3.27Å; K11-L14 PolarHBondContact O-N 3.41Å; D12-L14 VanDerWaalsContact C-N 3.27Å; D12-L14 PolarHBondContact O-N 3.15Å; L14-L17 PolarHBondContact O-N 2.9Å; L14-K18 WeakPolarHBondContact O-CG 2.99Å; L14-K18 PolarHBondContact O-N 3.24Å; L14-F74 HydrophobicContact CD1-CE1 3.86Å; L14-F74 HydrophobicContact CD1-CZ 3.85Å; L14-F74 HydrophobicContact CG-CZ 4.42Å; L14-V78 HydrophobicContact CD1-CG2 4.48Å
15D75.6Confident72.3Confident57 Ų5770.9 Ų70.931%0.30538%0.382SS..Hα-helixtrans-70.4-37.4178.1-70.1-23000111.1K11 D12 L17 K18 E19K11-D15 PolarHBondContact O-N 2.52Å; D12-D15 PolarHBondContact O-N 2.59Å; D15-L17 PolarHBondContact O-N 3.07Å; D15-K18 PolarHBondContact O-N 2.94Å; D15-K18 IonicContact OD1-NZ 2.95Å; D15-K18 PolarHBondContact OD1-NZ 2.8Å; D15-E19 WeakPolarHBondContact O-CG 3.21Å; D15-E19 PolarHBondContact O-N 3.49Å
16E76.9Confident74Confident125 Ų12568.9 Ų68.958%0.58436%0.358SS*.Hα-helixtrans-58.3-44.3168.6-73.7179.5-175.900112.3D12 K18 E19 A20D12-E16 WeakPolarHBondContact O-CG 3.44Å; D12-E16 PolarHBondContact O-N 3.16Å; E16-K18 VanDerWaalsContact C-N 3.33Å; E16-K18 PolarHBondContact O-N 3.18Å; E16-E19 PolarHBondContact O-N 2.88Å; E16-A20 WeakPolarHBondContact O-CB 3Å; E16-A20 PolarHBondContact O-N 2.98Å
17L84.4Confident75.3Confident17 Ų1763.2 Ų63.29%0.08932%0.323CS..Hα-helixtrans-64.9-36.7177.3-73.2171.2000111.9I9 E13 L14 D15 A20 F21 F74 F77 V78 F81I9-L17 HydrophobicContact CD1-CD1 4.3Å; E13-L17 WeakPolarHBondContact O-CB 3.47Å; E13-L17 VanDerWaalsContact O-CG 3.24Å; E13-L17 WeakPolarHBondContact O-CG 3.48Å; E13-L17 PolarHBondContact O-N 2.88Å; L14-L17 PolarHBondContact O-N 2.9Å; D15-L17 PolarHBondContact O-N 3.07Å; L17-A20 PolarHBondContact O-N 3.44Å; L17-F21 VanDerWaalsContact O-CB 3.24Å; L17-F21 WeakPolarHBondContact O-CB 3.23Å; L17-F21 PolarHBondContact O-N 3.17Å; L17-F74 HydrophobicContact CB-CE2 4.14Å; L17-F74 HydrophobicContact CB-CZ 4.27Å; L17-F77 HydrophobicContact CD2-CD1 4.43Å; L17-F77 HydrophobicContact CD2-CE1 4.04Å; L17-F77 WeakPolarHBondContact O-CE1 3.37Å; L17-V78 HydrophobicContact CB-CG2 4.43Å; L17-V78 HydrophobicContact CD1-CB 4.45Å; L17-V78 HydrophobicContact CD1-CG1 4.24Å; L17-V78 HydrophobicContact CD1-CG2 4Å; L17-F81 HydrophobicContact CD2-CB 3.55Å; L17-F81 HydrophobicContact CD2-CD1 3.3Å; L17-F81 HydrophobicContact CD2-CD2 3.92Å; L17-F81 HydrophobicContact CD2-CE1 3.86Å; L17-F81 HydrophobicContact CD2-CE2 4.43Å; L17-F81 HydrophobicContact CD2-CG 3.31Å; L17-F81 HydrophobicContact CD2-CZ 4.38Å
18K83Confident76.4Confident93 Ų9360.9 Ų60.940%0.40431%0.31SS..Hα-helixtrans-64.7-41.2175.1-73.7173.5-167.2153.60111.6L14 D15 E16 F21 A22 F74L14-K18 WeakPolarHBondContact O-CG 2.99Å; L14-K18 PolarHBondContact O-N 3.24Å; D15-K18 PolarHBondContact O-N 2.94Å; D15-K18 IonicContact OD1-NZ 2.95Å; D15-K18 PolarHBondContact OD1-NZ 2.8Å; E16-K18 VanDerWaalsContact C-N 3.33Å; E16-K18 PolarHBondContact O-N 3.18Å; K18-F21 PolarHBondContact O-N 3.34Å; K18-A22 WeakPolarHBondContact O-CB 3.33Å; K18-A22 PolarHBondContact O-N 3.02Å; K18-F74 HydrophobicContact CB-CE2 4.15Å; K18-F74 HydrophobicContact CB-CZ 4.36Å; K18-F74 HydrophobicContact CD-CZ 4.46Å; K18-F74 HydrophobicContact CG-CD2 4.35Å; K18-F74 HydrophobicContact CG-CE1 4.06Å; K18-F74 HydrophobicContact CG-CE2 3.53Å; K18-F74 HydrophobicContact CG-CZ 3.35Å
19E77.1Confident77.3Confident50 Ų5053 Ų5323%0.23427%0.274CS..Hα-helixtrans-65.2-45.4175.9-70.5-178.3-172.800111.6D15 E16 F21 A22 K23 H119D15-E19 WeakPolarHBondContact O-CG 3.21Å; D15-E19 PolarHBondContact O-N 3.49Å; E16-E19 PolarHBondContact O-N 2.88Å; E19-F21 VanDerWaalsContact C-N 3.29Å; E19-F21 PolarHBondContact O-N 3Å; E19-A22 PolarHBondContact O-N 3.1Å; E19-K23 VanDerWaalsContact O-CG 3.29Å; E19-K23 WeakPolarHBondContact O-CG 3.34Å; E19-K23 PolarHBondContact O-N 3.25Å; E19-H119 IonicContact OE1-CE1 2.85Å; E19-H119 PolarHBondContact OE1-CE1 2.56Å; E19-H119 IonicContact OE1-ND1 2.94Å; E19-H119 IonicContact OE1-NE2 3.52Å; E19-H119 IonicContact OE2-CE1 2.71Å; E19-H119 PolarHBondContact OE2-CE1 2.87Å; E19-H119 IonicContact OE2-ND1 3.8Å; E19-H119 PolarHBondContact OE2-ND1 3.33Å
20A81.3Confident78.1Confident11 Ų1152.4 Ų52.49%0.09128%0.28CS..Hα-helixtrans-60.3-41.4175.500000111.5E16 L17 K23 V24 F77 I97E16-A20 WeakPolarHBondContact O-CB 3Å; E16-A20 PolarHBondContact O-N 2.98Å; L17-A20 PolarHBondContact O-N 3.44Å; A20-K23 PolarHBondContact O-N 3.41Å; A20-V24 WeakPolarHBondContact O-CG2 3.26Å; A20-V24 PolarHBondContact O-N 2.95Å; A20-F77 HydrophobicContact CB-CE1 4.02Å; A20-F77 HydrophobicContact CB-CZ 3.84Å; A20-I97 HydrophobicContact CB-CG2 4.05Å
21F84.5Confident78.6Confident14 Ų1452.7 Ų52.76%0.06128%0.275CS..Hα-helixtrans-62.3-51176.1-175.1-92.2000111.7L17 K18 E19 K23 V24 D25 G30 I32 I72 F74 F77L17-F21 VanDerWaalsContact O-CB 3.24Å; L17-F21 WeakPolarHBondContact O-CB 3.23Å; L17-F21 PolarHBondContact O-N 3.17Å; K18-F21 PolarHBondContact O-N 3.34Å; E19-F21 VanDerWaalsContact C-N 3.29Å; E19-F21 PolarHBondContact O-N 3Å; F21-K23 PolarHBondContact O-N 2.76Å; F21-V24 PolarHBondContact O-N 3.44Å; F21-D25 HydrophobicContact CD1-CB 4.32Å; F21-D25 HydrophobicContact CE1-CB 4.04Å; F21-D25 PolarHBondContact O-N 3.21Å; F21-G30 VanDerWaalsContact CZ-O 3.3Å; F21-G30 WeakPolarHBondContact CZ-O 3.48Å; F21-I32 HydrophobicContact CD2-CD1 3.38Å; F21-I32 HydrophobicContact CD2-CG1 4.06Å; F21-I32 HydrophobicContact CE2-CD1 3.47Å; F21-I32 VanDerWaalsContact CE2-CD1 3.47Å; F21-I32 HydrophobicContact CE2-CG1 3.72Å; F21-I32 HydrophobicContact CG-CD1 4.15Å; F21-I32 HydrophobicContact CZ-CD1 4.29Å; F21-I32 HydrophobicContact CZ-CG1 4.08Å; F21-I72 WeakPolarHBondContact CE2-O 3.41Å; F21-F74 HydrophobicContact CB-CD2 3.88Å; F21-F74 HydrophobicContact CB-CE2 4.25Å; F21-F74 HydrophobicContact CD1-CD2 4.3Å; F21-F74 HydrophobicContact CD2-CB 4.48Å; F21-F74 HydrophobicContact CD2-CD2 4.09Å; F21-F74 HydrophobicContact CE2-CB 4.35Å; F21-F74 AromaticContact CG-CD2 3.83Å; F21-F74 HydrophobicContact CG-CD2 3.83Å; F21-F74 HydrophobicContact CZ-CB 4.35Å; F21-F77 HydrophobicContact CB-CD1 4.04Å; F21-F77 HydrophobicContact CB-CE1 3.99Å; F21-F77 HydrophobicContact CB-CG 4.43Å; F21-F77 HydrophobicContact CB-CZ 4.32Å; F21-F77 HydrophobicContact CD2-CB 3.52Å; F21-F77 AromaticContact CD2-CD1 3.95Å; F21-F77 HydrophobicContact CD2-CD1 3.95Å; F21-F77 AromaticContact CD2-CD2 3.86Å; F21-F77 HydrophobicContact CD2-CD2 3.86Å; F21-F77 HydrophobicContact CD2-CE2 4.45Å; F21-F77 AromaticContact CD2-CG 3.54Å; F21-F77 HydrophobicContact CD2-CG 3.54Å; F21-F77 HydrophobicContact CE2-CB 3.88Å; F21-F77 HydrophobicContact CE2-CG 4.32Å; F21-F77 HydrophobicContact CG-CG 4.48Å
22A79.8Confident79.2Confident53 Ų5345.1 Ų45.144%0.43824%0.242SC..Hα-helixtrans-61.6-24.4179.100000113.3K18 E19K18-A22 WeakPolarHBondContact O-CB 3.33Å; K18-A22 PolarHBondContact O-N 3.02Å; E19-A22 PolarHBondContact O-N 3.1Å
23K73.8Confident79.8Confident58 Ų5842.1 Ų42.125%0.25223%0.228SC..Hα-helixtrans-73.2-29.2173.1-73170.7-164-178.40112.9E19 A20 F21 K100 E101E19-K23 VanDerWaalsContact O-CG 3.29Å; E19-K23 WeakPolarHBondContact O-CG 3.34Å; E19-K23 PolarHBondContact O-N 3.25Å; A20-K23 PolarHBondContact O-N 3.41Å; F21-K23 PolarHBondContact O-N 2.76Å; K23-K100 PolarHBondContact O-NZ 3.33Å; K23-E101 HydrophobicContact CD-CG 3.98Å; K23-E101 IonicContact NZ-OE1 2.75Å; K23-E101 PolarHBondContact NZ-OE1 3.44Å
24V83.2Confident80.2Confident0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-91.2-38.8-179.8-172.90000110.5A20 F21 L26 I32 E36 L37 L40 I97A20-V24 WeakPolarHBondContact O-CG2 3.26Å; A20-V24 PolarHBondContact O-N 2.95Å; F21-V24 PolarHBondContact O-N 3.44Å; V24-L26 PolarHBondContact O-N 3.14Å; V24-I32 HydrophobicContact CB-CD1 3.66Å; V24-I32 HydrophobicContact CB-CG1 3.92Å; V24-I32 HydrophobicContact CB-CG2 4.49Å; V24-I32 HydrophobicContact CG1-CB 4.32Å; V24-I32 HydrophobicContact CG1-CD1 3.83Å; V24-I32 HydrophobicContact CG1-CG1 3.86Å; V24-I32 HydrophobicContact CG1-CG2 3.52Å; V24-I32 HydrophobicContact CG2-CD1 4.47Å; V24-E36 HydrophobicContact CG1-CB 4.41Å; V24-E36 VanDerWaalsContact O-CB 3.32Å; V24-E36 WeakPolarHBondContact O-CB 3.25Å; V24-L37 HydrophobicContact CG1-CD2 4.04Å; V24-L40 HydrophobicContact CG1-CB 4.45Å; V24-L40 HydrophobicContact CG1-CD2 4.17Å; V24-L40 HydrophobicContact CG2-CD1 4.21Å; V24-L40 HydrophobicContact CG2-CD2 3.87Å; V24-I97 HydrophobicContact CG2-CD1 4.17Å; V24-I97 HydrophobicContact CG2-CG1 3.95Å
25D80.7Confident80Confident7 Ų739.9 Ų39.94%0.03722%0.215CC..  trans-69.376170.8179.87000110.4F21 N27 S28 N29 G30 F31 I32F21-D25 HydrophobicContact CD1-CB 4.32Å; F21-D25 HydrophobicContact CE1-CB 4.04Å; F21-D25 PolarHBondContact O-N 3.21Å; D25-N27 PolarHBondContact O-N 3.3Å; D25-N27 PolarHBondContact OD1-OD1 3.05Å; D25-S28 PolarHBondContact O-N 3.44Å; D25-S28 WeakPolarHBondContact OD1-CA 3.43Å; D25-S28 PolarHBondContact OD1-N 2.85Å; D25-S28 WeakPolarHBondContact OD2-CA 3.5Å; D25-N29 PolarHBondContact OD1-N 2.86Å; D25-N29 VanDerWaalsContact OD1-N 3.12Å; D25-N29 PolarHBondContact OD1-OD1 3.04Å; D25-N29 PolarHBondContact OD2-N 3.07Å; D25-G30 VanDerWaalsContact OD2-CA 3.26Å; D25-G30 WeakPolarHBondContact OD2-CA 3.38Å; D25-G30 PolarHBondContact OD2-N 2.93Å; D25-F31 PolarHBondContact OD2-N 3.13Å; D25-I32 HydrophobicContact CB-CG1 4.21Å
26L74.6Confident80.3Confident54 Ų5437.2 Ų37.228%0.28320%0.201SC..THydrogen-bonded Turntrans-60.9-28.3-175.1-73.6178.4000112.5V24 E36 E39 H210V24-L26 PolarHBondContact O-N 3.14Å; L26-E36 HydrophobicContact CB-CG 4.06Å; L26-E36 HydrophobicContact CD1-CG 4.22Å; L26-E36 HydrophobicContact CG-CG 4.19Å; L26-E36 PolarHBondContact N-OE1 3.34Å; L26-E39 HydrophobicContact CD1-CB 3.81Å; L26-E39 HydrophobicContact CD1-CG 4.23Å; L26-H210 PolarHBondContact O-NE2 2.93Å; L26-H210 VanDerWaalsContact O-NE2 3.13Å
27N71.2Confident80.8Confident4 Ų431.2 Ų31.22%0.02117%0.173CC..THydrogen-bonded Turntrans-98.3-12.5-175.577.646.8000111.6D25 N29 E36 G411 R435D25-N27 PolarHBondContact O-N 3.3Å; D25-N27 PolarHBondContact OD1-OD1 3.05Å; N27-N29 WeakPolarHBondContact OD1-CB 3.5Å; N27-N29 PolarHBondContact OD1-N 3.45Å; N27-N29 PolarHBondContact OD1-OD1 3.2Å; N27-E36 PolarHBondContact N-OE1 3.48Å; N27-E36 PolarHBondContact ND2-OE1 3Å; N27-E36 VanDerWaalsContact ND2-OE1 3.11Å; N27-G411 WeakPolarHBondContact CB-O 3.35Å; N27-R435 VanDerWaalsContact C-NH2 3.25Å; N27-R435 VanDerWaalsContact O-CZ 3.31Å; N27-R435 PolarHBondContact O-NH2 3.1Å; N27-R435 PolarHBondContact OD1-NH2 3.35Å
28S72.6Confident80.7Confident35 Ų3532.6 Ų32.625%0.24518%0.179CC..  trans62.338.6-178.3-54.60000113.9D25 G30 N213D25-S28 PolarHBondContact O-N 3.44Å; D25-S28 WeakPolarHBondContact OD1-CA 3.43Å; D25-S28 PolarHBondContact OD1-N 2.85Å; D25-S28 WeakPolarHBondContact OD2-CA 3.5Å; S28-G30 VanDerWaalsContact C-N 3.3Å; S28-N213 PolarHBondContact OG-ND2 3.32Å
29N78.6Confident80.5Confident35 Ų3529.6 Ų29.619%0.18717%0.166CC..SBendtrans-84.6-3.5172.5711.5000112.9D25 N27 F31 E434 R435D25-N29 PolarHBondContact OD1-N 2.86Å; D25-N29 VanDerWaalsContact OD1-N 3.12Å; D25-N29 PolarHBondContact OD1-OD1 3.04Å; D25-N29 PolarHBondContact OD2-N 3.07Å; N27-N29 WeakPolarHBondContact OD1-CB 3.5Å; N27-N29 PolarHBondContact OD1-N 3.45Å; N27-N29 PolarHBondContact OD1-OD1 3.2Å; N29-F31 VanDerWaalsContact O-CD2 3.32Å; N29-F31 WeakPolarHBondContact O-CD2 3.42Å; N29-F31 WeakPolarHBondContact OD1-CA 3.44Å; N29-F31 WeakPolarHBondContact OD1-CB 3.36Å; N29-F31 PolarHBondContact OD1-N 2.84Å; N29-F31 PolarHBondContact OD1-O 3.2Å; N29-E434 PolarHBondContact ND2-OE2 3.18Å; N29-R435 VanDerWaalsContact CB-NH1 3.26Å
30G84Confident80.8Confident36 Ų3627.2 Ų27.237%0.37116%0.155SC..SBendtrans8811.3-177.200000113.8F21 D25 S28F21-G30 VanDerWaalsContact CZ-O 3.3Å; F21-G30 WeakPolarHBondContact CZ-O 3.48Å; D25-G30 VanDerWaalsContact OD2-CA 3.26Å; D25-G30 WeakPolarHBondContact OD2-CA 3.38Å; D25-G30 PolarHBondContact OD2-N 2.93Å; S28-G30 VanDerWaalsContact C-N 3.3Å
31F88Confident80.8Confident59 Ų5927 Ų2726%0.25915%0.152SC..EExtended strand (participates in β ladder)trans-142.3148.9-177.3-57.2-88.1000111D25 N29 K71 I72D25-F31 PolarHBondContact OD2-N 3.13Å; N29-F31 VanDerWaalsContact O-CD2 3.32Å; N29-F31 WeakPolarHBondContact O-CD2 3.42Å; N29-F31 WeakPolarHBondContact OD1-CA 3.44Å; N29-F31 WeakPolarHBondContact OD1-CB 3.36Å; N29-F31 PolarHBondContact OD1-N 2.84Å; N29-F31 PolarHBondContact OD1-O 3.2Å; F31-K71 HydrophobicContact CB-CB 4Å; F31-K71 HydrophobicContact CB-CD 3.72Å; F31-K71 HydrophobicContact CB-CG 4.1Å; F31-K71 HydrophobicContact CD1-CD 3.58Å; F31-K71 HydrophobicContact CD1-CG 3.88Å; F31-K71 HydrophobicContact CD2-CD 4.04Å; F31-K71 HydrophobicContact CE1-CD 4.18Å; F31-K71 VanDerWaalsContact CE2-NZ 3.3Å; F31-K71 HydrophobicContact CG-CD 3.51Å; F31-K71 HydrophobicContact CG-CG 4.14Å; F31-I72 CarbonylContact C-O 3.53Å; F31-I72 WeakPolarHBondContact CA-O 3.46Å
32I87.8Confident80.1Confident0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-103.7124.4173.4-67.1163.2000109.3F21 V24 D25 E36 L37 K71 I72 F77F21-I32 HydrophobicContact CD2-CD1 3.38Å; F21-I32 HydrophobicContact CD2-CG1 4.06Å; F21-I32 HydrophobicContact CE2-CD1 3.47Å; F21-I32 VanDerWaalsContact CE2-CD1 3.47Å; F21-I32 HydrophobicContact CE2-CG1 3.72Å; F21-I32 HydrophobicContact CG-CD1 4.15Å; F21-I32 HydrophobicContact CZ-CD1 4.29Å; F21-I32 HydrophobicContact CZ-CG1 4.08Å; V24-I32 HydrophobicContact CB-CD1 3.66Å; V24-I32 HydrophobicContact CB-CG1 3.92Å; V24-I32 HydrophobicContact CB-CG2 4.49Å; V24-I32 HydrophobicContact CG1-CB 4.32Å; V24-I32 HydrophobicContact CG1-CD1 3.83Å; V24-I32 HydrophobicContact CG1-CG1 3.86Å; V24-I32 HydrophobicContact CG1-CG2 3.52Å; V24-I32 HydrophobicContact CG2-CD1 4.47Å; D25-I32 HydrophobicContact CB-CG1 4.21Å; I32-E36 WeakPolarHBondContact CA-OE2 3.35Å; I32-E36 HydrophobicContact CG2-CB 4.36Å; I32-L37 HydrophobicContact CG2-CD1 4.36Å; I32-L37 HydrophobicContact CG2-CD2 3.68Å; I32-L37 HydrophobicContact CG2-CG 3.69Å; I32-K71 CarbonylContact O-C 3.39Å; I32-K71 WeakPolarHBondContact O-CA 3.24Å; I32-I72 HydrophobicContact CB-CB 4.19Å; I32-I72 PolarHBondContact N-O 3.26Å; I32-I72 PolarHBondContact O-N 3.43Å; I32-F77 HydrophobicContact CD1-CD2 3.48Å; I32-F77 VanDerWaalsContact CD1-CD2 3.48Å; I32-F77 HydrophobicContact CD1-CE2 3.71Å; I32-F77 HydrophobicContact CD1-CG 4.35Å
33C83.5Confident79.6Confident33 Ų3334.4 Ų34.422%0.22318%0.176CC..EExtended strand (participates in β ladder)trans-101165.7175.473.30000113.2Y35 E36 L37C33-Y35 PolarHBondContact O-N 3.27Å; C33-E36 PolarHBondContact N-OE2 2.89Å; C33-E36 WeakPolarHBondContact O-CB 3.5Å; C33-E36 PolarHBondContact O-N 3.18Å; C33-E36 PolarHBondContact SG-OE2 3.13Å; C33-L37 PolarHBondContact O-N 2.87Å; C33-L37 VanDerWaalsContact O-N 3.09Å
34D83.1Confident79.5Confident38 Ų3831.9 Ų31.920%0.20317%0.165CC..Hα-helixtrans-49.4-40176.3-172.269.8000113.6L37 H38 I57 K447D34-L37 PolarHBondContact O-N 3.4Å; D34-H38 PolarHBondContact O-CD2 3.38Å; D34-H38 PolarHBondContact O-N 3.42Å; D34-H38 IonicContact OD2-CD2 2.76Å; D34-I57 WeakPolarHBondContact OD1-CG2 3.49Å; D34-K447 HydrophobicContact CB-CD 4.37Å
35Y75.9Confident78.6Confident59 Ų5935.2 Ų35.223%0.23118%0.183CC..Hα-helixtrans-69.7-41178.4-172.2-72.7000112C33 L37 H38 E39 N413C33-Y35 PolarHBondContact O-N 3.27Å; Y35-L37 VanDerWaalsContact C-N 3.27Å; Y35-L37 PolarHBondContact O-N 3.21Å; Y35-H38 CarbonylContact O-C 3.57Å; Y35-H38 WeakPolarHBondContact O-CA 3.26Å; Y35-H38 VanDerWaalsContact O-CB 3.25Å; Y35-H38 WeakPolarHBondContact O-CB 3.5Å; Y35-H38 PolarHBondContact O-N 2.88Å; Y35-E39 HydrophobicContact CD1-CG 3.77Å; Y35-E39 HydrophobicContact CE1-CB 4.49Å; Y35-E39 HydrophobicContact CE1-CG 3.18Å; Y35-E39 PolarHBondContact O-N 2.91Å; Y35-N413 HydrophobicContact CD1-CB 4.16Å; Y35-N413 WeakPolarHBondContact CD1-ND2 3.33Å; Y35-N413 HydrophobicContact CE1-CB 4.16Å; Y35-N413 WeakPolarHBondContact CE1-ND2 3.28Å; Y35-N413 WeakPolarHBondContact CE1-OD1 3.49Å; Y35-N413 VanDerWaalsContact CZ-OD1 3.29Å; Y35-N413 PolarHBondContact OH-OD1 3.08Å
36E83.3Confident78.1Confident0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-63.7-34.9177.3-80.6166.814700112.2V24 L26 N27 I32 C33 L40V24-E36 HydrophobicContact CG1-CB 4.41Å; V24-E36 VanDerWaalsContact O-CB 3.32Å; V24-E36 WeakPolarHBondContact O-CB 3.25Å; L26-E36 HydrophobicContact CB-CG 4.06Å; L26-E36 HydrophobicContact CD1-CG 4.22Å; L26-E36 HydrophobicContact CG-CG 4.19Å; L26-E36 PolarHBondContact N-OE1 3.34Å; N27-E36 PolarHBondContact N-OE1 3.48Å; N27-E36 PolarHBondContact ND2-OE1 3Å; N27-E36 VanDerWaalsContact ND2-OE1 3.11Å; I32-E36 WeakPolarHBondContact CA-OE2 3.35Å; I32-E36 HydrophobicContact CG2-CB 4.36Å; C33-E36 PolarHBondContact N-OE2 2.89Å; C33-E36 WeakPolarHBondContact O-CB 3.5Å; C33-E36 PolarHBondContact O-N 3.18Å; C33-E36 PolarHBondContact SG-OE2 3.13Å; E36-L40 VanDerWaalsContact O-CB 3.25Å; E36-L40 WeakPolarHBondContact O-CB 3.16Å; E36-L40 PolarHBondContact O-N 3.44Å
37L86.3Confident77.7Confident0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-64.7-41.1168.4-63.4173.2000111.2V24 I32 C33 D34 Y35 L40 F41 I57 L60 M61 I72 F93V24-L37 HydrophobicContact CG1-CD2 4.04Å; I32-L37 HydrophobicContact CG2-CD1 4.36Å; I32-L37 HydrophobicContact CG2-CD2 3.68Å; I32-L37 HydrophobicContact CG2-CG 3.69Å; C33-L37 PolarHBondContact O-N 2.87Å; C33-L37 VanDerWaalsContact O-N 3.09Å; D34-L37 PolarHBondContact O-N 3.4Å; Y35-L37 VanDerWaalsContact C-N 3.27Å; Y35-L37 PolarHBondContact O-N 3.21Å; L37-L40 HydrophobicContact CD2-CD2 4.45Å; L37-L40 WeakPolarHBondContact O-CB 3.25Å; L37-L40 PolarHBondContact O-N 3.24Å; L37-F41 WeakPolarHBondContact O-CD2 3.4Å; L37-F41 PolarHBondContact O-N 2.95Å; L37-I57 HydrophobicContact CB-CB 4.49Å; L37-I57 HydrophobicContact CB-CD1 4.02Å; L37-I57 HydrophobicContact CB-CG1 3.88Å; L37-I57 HydrophobicContact CB-CG2 3.86Å; L37-I57 HydrophobicContact CD1-CG2 3.81Å; L37-I57 HydrophobicContact CG-CG2 4.49Å; L37-L60 HydrophobicContact CD1-CB 4.42Å; L37-M61 HydrophobicContact CD1-CG 4.08Å; L37-M61 HydrophobicContact CD1-SD 3.73Å; L37-I72 HydrophobicContact CD1-CD1 4.14Å; L37-F93 HydrophobicContact CD2-CD2 4.3Å; L37-F93 HydrophobicContact CD2-CE2 3.33Å; L37-F93 HydrophobicContact CD2-CZ 3.78Å
38H82.7Confident77.8Confident46 Ų4641.2 Ų41.221%0.21322%0.221CC..Hα-helixtrans-60.7-48.4175.1-93.6-67.2000112.8D34 Y35 L40 F41 K42 I57D34-H38 PolarHBondContact O-CD2 3.38Å; D34-H38 PolarHBondContact O-N 3.42Å; D34-H38 IonicContact OD2-CD2 2.76Å; Y35-H38 CarbonylContact O-C 3.57Å; Y35-H38 WeakPolarHBondContact O-CA 3.26Å; Y35-H38 VanDerWaalsContact O-CB 3.25Å; Y35-H38 WeakPolarHBondContact O-CB 3.5Å; Y35-H38 PolarHBondContact O-N 2.88Å; H38-L40 VanDerWaalsContact C-N 3.33Å; H38-L40 PolarHBondContact O-N 3.46Å; H38-F41 PolarHBondContact O-N 2.96Å; H38-K42 WeakPolarHBondContact O-CB 3.43Å; H38-K42 PolarHBondContact O-N 2.7Å; H38-I57 HydrophobicContact CB-CD1 4.09Å; H38-I57 VanDerWaalsContact CG-CD1 3.43Å; H38-I57 WeakPolarHBondContact ND1-CD1 3.32Å
39E78.7Confident78Confident29 Ų2942.3 Ų42.314%0.13623%0.227CC..Hα-helixtrans-65.1-38.1175.5-70.8-58.6114.600111.5L26 Y35 F41 K42 E43L26-E39 HydrophobicContact CD1-CB 3.81Å; L26-E39 HydrophobicContact CD1-CG 4.23Å; Y35-E39 HydrophobicContact CD1-CG 3.77Å; Y35-E39 HydrophobicContact CE1-CB 4.49Å; Y35-E39 HydrophobicContact CE1-CG 3.18Å; Y35-E39 PolarHBondContact O-N 2.91Å; E39-F41 VanDerWaalsContact C-N 3.33Å; E39-F41 PolarHBondContact O-N 2.98Å; E39-K42 VanDerWaalsContact CD-NZ 3.34Å; E39-K42 PolarHBondContact O-N 2.84Å; E39-K42 WeakPolarHBondContact OE1-CD 3.41Å; E39-K42 IonicContact OE1-NZ 2.8Å; E39-K42 PolarHBondContact OE1-NZ 2.68Å; E39-K42 IonicContact OE2-NZ 2.9Å; E39-K42 PolarHBondContact OE2-NZ 3.25Å; E39-E43 VanDerWaalsContact O-CB 3.27Å; E39-E43 WeakPolarHBondContact O-CB 3.29Å; E39-E43 VanDerWaalsContact O-CG 3.25Å; E39-E43 WeakPolarHBondContact O-CG 3.32Å; E39-E43 PolarHBondContact O-N 2.82Å
40L82.8Confident77.8Confident0 Ų042.7 Ų42.70%024%0.24CC..Hα-helixtrans-53.7-50.1172.1169.570000111.5V24 E36 L37 H38 A44 F93 A96 I97 K100V24-L40 HydrophobicContact CG1-CB 4.45Å; V24-L40 HydrophobicContact CG1-CD2 4.17Å; V24-L40 HydrophobicContact CG2-CD1 4.21Å; V24-L40 HydrophobicContact CG2-CD2 3.87Å; E36-L40 VanDerWaalsContact O-CB 3.25Å; E36-L40 WeakPolarHBondContact O-CB 3.16Å; E36-L40 PolarHBondContact O-N 3.44Å; L37-L40 HydrophobicContact CD2-CD2 4.45Å; L37-L40 WeakPolarHBondContact O-CB 3.25Å; L37-L40 PolarHBondContact O-N 3.24Å; H38-L40 VanDerWaalsContact C-N 3.33Å; H38-L40 PolarHBondContact O-N 3.46Å; L40-A44 WeakPolarHBondContact O-CB 3.34Å; L40-A44 PolarHBondContact O-N 3.43Å; L40-F93 HydrophobicContact CD2-CD2 3.79Å; L40-F93 HydrophobicContact CD2-CE2 3.36Å; L40-F93 HydrophobicContact CD2-CZ 4.4Å; L40-A96 HydrophobicContact CD2-CB 4.33Å; L40-A96 HydrophobicContact CG-CB 4.16Å; L40-I97 HydrophobicContact CD1-CG1 4.15Å; L40-I97 HydrophobicContact CD2-CG1 3.8Å; L40-K100 HydrophobicContact CD1-CB 3.83Å; L40-K100 HydrophobicContact CD1-CD 3.48Å; L40-K100 VanDerWaalsContact CD1-CD 3.48Å; L40-K100 HydrophobicContact CD1-CG 4.29Å
41F81.4Confident77.6Confident7 Ų746.6 Ų46.63%0.03124%0.244CC..Hα-helixtrans-71-31.4-178.9-80.9-72.5000113.4L37 H38 E39 N45 M46 L48 V53 I56 I57 L60 T92 F93 A96L37-F41 WeakPolarHBondContact O-CD2 3.4Å; L37-F41 PolarHBondContact O-N 2.95Å; H38-F41 PolarHBondContact O-N 2.96Å; E39-F41 VanDerWaalsContact C-N 3.33Å; E39-F41 PolarHBondContact O-N 2.98Å; F41-N45 PolarHBondContact O-N 3.24Å; F41-M46 HydrophobicContact CD1-SD 4.15Å; F41-M46 HydrophobicContact CE1-SD 4.13Å; F41-L48 HydrophobicContact CD1-CD1 4.47Å; F41-V53 HydrophobicContact CB-CG1 3.56Å; F41-V53 HydrophobicContact CB-CG2 4.39Å; F41-V53 HydrophobicContact CD2-CG1 4.06Å; F41-V53 HydrophobicContact CG-CG1 3.86Å; F41-I56 HydrophobicContact CE1-CG2 4.17Å; F41-I56 HydrophobicContact CE2-CG2 3.72Å; F41-I56 HydrophobicContact CZ-CG2 3.37Å; F41-I57 HydrophobicContact CD2-CD1 3.92Å; F41-I57 HydrophobicContact CD2-CG1 3.79Å; F41-I57 HydrophobicContact CE2-CG1 3.87Å; F41-L60 HydrophobicContact CE2-CD1 4.17Å; F41-L60 HydrophobicContact CZ-CD1 4.41Å; F41-T92 HydrophobicContact CE1-CG2 3.9Å; F41-F93 HydrophobicContact CE2-CD2 4.22Å; F41-F93 HydrophobicContact CZ-CB 4.44Å; F41-F93 HydrophobicContact CZ-CD2 4.13Å; F41-A96 HydrophobicContact CD1-CB 3.56Å; F41-A96 HydrophobicContact CE1-CB 3.34Å; F41-A96 HydrophobicContact CG-CB 4.31Å; F41-A96 HydrophobicContact CZ-CB 3.93Å
42K71.3Confident77.3Confident127 Ų12748.1 Ų48.155%0.55225%0.25SS*.Hα-helixtrans-67.5-50.1174.4-179.3-172.3169.6-159.60111.2H38 E39 N45H38-K42 WeakPolarHBondContact O-CB 3.43Å; H38-K42 PolarHBondContact O-N 2.7Å; E39-K42 VanDerWaalsContact CD-NZ 3.34Å; E39-K42 PolarHBondContact O-N 2.84Å; E39-K42 WeakPolarHBondContact OE1-CD 3.41Å; E39-K42 IonicContact OE1-NZ 2.8Å; E39-K42 PolarHBondContact OE1-NZ 2.68Å; E39-K42 IonicContact OE2-NZ 2.9Å; E39-K42 PolarHBondContact OE2-NZ 3.25Å; K42-N45 PolarHBondContact O-N 3.37Å; K42-N45 VanDerWaalsContact O-N 3.12Å
43E68.4Low77.1Confident96 Ų9649 Ų4945%0.44926%0.256SS..Hα-helixtrans-66-37176.6-69.3-64.2142.700111.8E39 N45 K100E39-E43 VanDerWaalsContact O-CB 3.27Å; E39-E43 WeakPolarHBondContact O-CB 3.29Å; E39-E43 VanDerWaalsContact O-CG 3.25Å; E39-E43 WeakPolarHBondContact O-CG 3.32Å; E39-E43 PolarHBondContact O-N 2.82Å; E43-N45 PolarHBondContact O-N 2.84Å; E43-N45 VanDerWaalsContact O-N 3.08Å; E43-K100 HydrophobicContact CB-CD 4.47Å; E43-K100 HydrophobicContact CB-CG 4.24Å
44A70.5Confident77.1Confident4 Ų452.9 Ų52.93%0.03327%0.266CS..THydrogen-bonded Turntrans-65.2-10.7174.400000113.7L40 M46 A96 R99L40-A44 WeakPolarHBondContact O-CB 3.34Å; L40-A44 PolarHBondContact O-N 3.43Å; A44-M46 HydrophobicContact CB-CG 4.07Å; A44-M46 PolarHBondContact O-N 3.29Å; A44-A96 HydrophobicContact CB-CB 3.92Å; A44-A96 WeakPolarHBondContact CB-O 3.32Å; A44-R99 HydrophobicContact CB-CB 3.85Å; A44-R99 VanDerWaalsContact O-CD 3.28Å; A44-R99 WeakPolarHBondContact O-CD 3.44Å
45N65.3Low77.1Confident70 Ų7056.5 Ų56.537%0.37428%0.281SS..THydrogen-bonded Turntrans4346.5177.8-164.122000112.4F41 K42 E43 R99F41-N45 PolarHBondContact O-N 3.24Å; K42-N45 PolarHBondContact O-N 3.37Å; K42-N45 VanDerWaalsContact O-N 3.12Å; E43-N45 PolarHBondContact O-N 2.84Å; E43-N45 VanDerWaalsContact O-N 3.08Å; N45-R99 PolarHBondContact O-NH1 3.26Å; N45-R99 VanDerWaalsContact O-NH1 3.1Å
46M69.7Low77.6Confident30 Ų3054.4 Ų54.415%0.14827%0.274CS..  trans-74.7141.2178.7-69.7-166.161.400109.8F41 A44 L48 T92 K95 A96F41-M46 HydrophobicContact CD1-SD 4.15Å; F41-M46 HydrophobicContact CE1-SD 4.13Å; A44-M46 HydrophobicContact CB-CG 4.07Å; A44-M46 PolarHBondContact O-N 3.29Å; M46-L48 HydrophobicContact CB-CD1 3.99Å; M46-L48 HydrophobicContact CB-CG 4.02Å; M46-L48 HydrophobicContact CE-CD1 3.91Å; M46-L48 HydrophobicContact CE-CG 4.38Å; M46-L48 PolarHBondContact O-N 3.31Å; M46-L48 HydrophobicContact SD-CD1 4.24Å; M46-T92 HydrophobicContact CE-CG2 3.76Å; M46-T92 HydrophobicContact SD-CG2 4.17Å; M46-K95 HydrophobicContact CE-CB 4.35Å; M46-K95 HydrophobicContact SD-CB 4.43Å; M46-A96 HydrophobicContact SD-CB 3.8Å
47P66.6Low77.7Confident116 Ų11654.4 Ų54.475%0.75327%0.274SS*.SBendtrans-74.958.9176.933.4-36.6000110.7
48L73.9Confident77.7Confident45 Ų4560.9 Ų60.924%0.23630%0.304CS..  trans-113.5128179.4-67.3175.1000108.5F41 M46 K52 V53 I56 T92F41-L48 HydrophobicContact CD1-CD1 4.47Å; M46-L48 HydrophobicContact CB-CD1 3.99Å; M46-L48 HydrophobicContact CB-CG 4.02Å; M46-L48 HydrophobicContact CE-CD1 3.91Å; M46-L48 HydrophobicContact CE-CG 4.38Å; M46-L48 PolarHBondContact O-N 3.31Å; M46-L48 HydrophobicContact SD-CD1 4.24Å; L48-K52 HydrophobicContact CD2-CD 4.46Å; L48-V53 HydrophobicContact CB-CG2 3.74Å; L48-V53 HydrophobicContact CD1-CG2 4.32Å; L48-I56 HydrophobicContact CD1-CD1 3.81Å; L48-T92 HydrophobicContact CD1-CG2 3.73Å
49P75.4Confident77.8Confident58 Ų5862.9 Ų62.938%0.37731%0.312SS..  trans-56143.9168.4-24.133.8000110.8Y51 K52 V53P49-Y51 HydrophobicContact CB-CD1 3.53Å; P49-Y51 HydrophobicContact CB-CE1 3.28Å; P49-Y51 HydrophobicContact CB-CG 4.48Å; P49-Y51 HydrophobicContact CG-CE1 3.82Å; P49-Y51 PolarHBondContact O-N 3Å; P49-K52 HydrophobicContact CG-CG 4.46Å; P49-K52 WeakPolarHBondContact O-CB 3.33Å; P49-K52 PolarHBondContact O-N 3.26Å; P49-V53 PolarHBondContact O-N 3.22Å
50G76.3Confident78.1Confident43 Ų4361.8 Ų61.844%0.44331%0.307SS..Hα-helixtrans-55.8-27.5-17700000114.8R54G50-R54 WeakPolarHBondContact O-CG 3.33Å; G50-R54 PolarHBondContact O-N 3.4Å; G50-R54 PolarHBondContact O-NH1 2.91Å
51Y79Confident78.2Confident118 Ų11862.9 Ų62.946%0.46331%0.313SS..Hα-helixtrans-69.1-37.3173.476-94.4000112.9P49 R54 E55P49-Y51 HydrophobicContact CB-CD1 3.53Å; P49-Y51 HydrophobicContact CB-CE1 3.28Å; P49-Y51 HydrophobicContact CB-CG 4.48Å; P49-Y51 HydrophobicContact CG-CE1 3.82Å; P49-Y51 PolarHBondContact O-N 3Å; Y51-R54 PolarHBondContact O-N 3.49Å; Y51-E55 WeakPolarHBondContact O-CG 3.24Å; Y51-E55 PolarHBondContact O-N 2.94Å
52K82.1Confident78.3Confident91 Ų9168.9 Ų68.940%0.39635%0.345SS..Hα-helixtrans-67.9-38.8176.4-69.5-159.5179.7-177.60111.5L48 P49 R54 E55 I56L48-K52 HydrophobicContact CD2-CD 4.46Å; P49-K52 HydrophobicContact CG-CG 4.46Å; P49-K52 WeakPolarHBondContact O-CB 3.33Å; P49-K52 PolarHBondContact O-N 3.26Å; K52-R54 VanDerWaalsContact C-N 3.31Å; K52-R54 PolarHBondContact O-N 2.88Å; K52-E55 PolarHBondContact O-N 3.34Å; K52-I56 WeakPolarHBondContact O-CB 3.23Å; K52-I56 WeakPolarHBondContact O-CD1 3.33Å; K52-I56 VanDerWaalsContact O-CG1 3.31Å; K52-I56 WeakPolarHBondContact O-CG1 3.34Å; K52-I56 PolarHBondContact O-N 3Å
53V83.2Confident78.9Confident18 Ų1866 Ų6611%0.10934%0.335CS..Hα-helixtrans-58.5-47174.2175.80000109.7F41 L48 P49 E55 I56 I57F41-V53 HydrophobicContact CB-CG1 3.56Å; F41-V53 HydrophobicContact CB-CG2 4.39Å; F41-V53 HydrophobicContact CD2-CG1 4.06Å; F41-V53 HydrophobicContact CG-CG1 3.86Å; L48-V53 HydrophobicContact CB-CG2 3.74Å; L48-V53 HydrophobicContact CD1-CG2 4.32Å; P49-V53 PolarHBondContact O-N 3.22Å; V53-E55 PolarHBondContact O-N 2.91Å; V53-I56 PolarHBondContact O-N 3.39Å; V53-I57 HydrophobicContact CG1-CD1 3.65Å; V53-I57 HydrophobicContact CG1-CG1 4.33Å; V53-I57 VanDerWaalsContact O-CG1 3.23Å; V53-I57 WeakPolarHBondContact O-CG1 3.37Å; V53-I57 PolarHBondContact O-N 3.42Å
54R82.3Confident79.6Confident115 Ų11561.4 Ų61.443%0.43431%0.314SS..Hα-helixtrans-59.8-44.1175.2-73.2-174.2-62.3-92.76.4113.3G50 Y51 K52 I56 I57 Q58G50-R54 WeakPolarHBondContact O-CG 3.33Å; G50-R54 PolarHBondContact O-N 3.4Å; G50-R54 PolarHBondContact O-NH1 2.91Å; Y51-R54 PolarHBondContact O-N 3.49Å; K52-R54 VanDerWaalsContact C-N 3.31Å; K52-R54 PolarHBondContact O-N 2.88Å; R54-I56 VanDerWaalsContact C-N 3.33Å; R54-I56 PolarHBondContact O-N 2.79Å; R54-I57 PolarHBondContact O-N 2.86Å; R54-Q58 VanDerWaalsContact O-CB 3.24Å; R54-Q58 WeakPolarHBondContact O-CB 3.3Å; R54-Q58 PolarHBondContact O-N 2.86Å
55E84.4Confident80.3Confident114 Ų11462 Ų6253%0.53332%0.317SS..Hα-helixtrans-61.4-41.4176.9-74.7172.5-175.700112.3Y51 K52 V53 K59Y51-E55 WeakPolarHBondContact O-CG 3.24Å; Y51-E55 PolarHBondContact O-N 2.94Å; K52-E55 PolarHBondContact O-N 3.34Å; V53-E55 PolarHBondContact O-N 2.91Å; E55-K59 WeakPolarHBondContact O-CB 3.34Å; E55-K59 PolarHBondContact O-N 3.07Å
56I85.7Confident81.2Confident16 Ų1665.4 Ų65.48%0.08232%0.324CS..Hα-helixtrans-62.3-49.8176.1-74.7158.4000110.3F41 L48 K52 V53 R54 K59 L60 I89 T92F41-I56 HydrophobicContact CE1-CG2 4.17Å; F41-I56 HydrophobicContact CE2-CG2 3.72Å; F41-I56 HydrophobicContact CZ-CG2 3.37Å; L48-I56 HydrophobicContact CD1-CD1 3.81Å; K52-I56 WeakPolarHBondContact O-CB 3.23Å; K52-I56 WeakPolarHBondContact O-CD1 3.33Å; K52-I56 VanDerWaalsContact O-CG1 3.31Å; K52-I56 WeakPolarHBondContact O-CG1 3.34Å; K52-I56 PolarHBondContact O-N 3Å; V53-I56 PolarHBondContact O-N 3.39Å; R54-I56 VanDerWaalsContact C-N 3.33Å; R54-I56 PolarHBondContact O-N 2.79Å; I56-K59 PolarHBondContact O-N 2.89Å; I56-L60 HydrophobicContact CG2-CD1 3.81Å; I56-L60 HydrophobicContact CG2-CG 4.38Å; I56-L60 VanDerWaalsContact O-CG 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.32Å; I56-L60 PolarHBondContact O-N 2.81Å; I56-I89 HydrophobicContact CB-CG2 4.49Å; I56-I89 HydrophobicContact CG1-CG1 4.43Å; I56-I89 HydrophobicContact CG2-CG2 4.01Å; I56-T92 HydrophobicContact CD1-CG2 3.57Å
57I86.1Confident82Confident0 Ų068.4 Ų68.40%034%0.341CS..Hα-helixtrans-64.4-48.2-178.5-66.6173.2000110.7D34 L37 H38 F41 V53 R54 K59 L60 M61D34-I57 WeakPolarHBondContact OD1-CG2 3.49Å; L37-I57 HydrophobicContact CB-CB 4.49Å; L37-I57 HydrophobicContact CB-CD1 4.02Å; L37-I57 HydrophobicContact CB-CG1 3.88Å; L37-I57 HydrophobicContact CB-CG2 3.86Å; L37-I57 HydrophobicContact CD1-CG2 3.81Å; L37-I57 HydrophobicContact CG-CG2 4.49Å; H38-I57 HydrophobicContact CB-CD1 4.09Å; H38-I57 VanDerWaalsContact CG-CD1 3.43Å; H38-I57 WeakPolarHBondContact ND1-CD1 3.32Å; F41-I57 HydrophobicContact CD2-CD1 3.92Å; F41-I57 HydrophobicContact CD2-CG1 3.79Å; F41-I57 HydrophobicContact CE2-CG1 3.87Å; V53-I57 HydrophobicContact CG1-CD1 3.65Å; V53-I57 HydrophobicContact CG1-CG1 4.33Å; V53-I57 VanDerWaalsContact O-CG1 3.23Å; V53-I57 WeakPolarHBondContact O-CG1 3.37Å; V53-I57 PolarHBondContact O-N 3.42Å; R54-I57 PolarHBondContact O-N 2.86Å; I57-K59 PolarHBondContact O-N 3.4Å; I57-L60 WeakPolarHBondContact O-CB 3.43Å; I57-L60 PolarHBondContact O-N 3.12Å; I57-L60 VanDerWaalsContact O-N 3.09Å; I57-M61 HydrophobicContact CG2-CG 4.35Å; I57-M61 WeakPolarHBondContact O-CG 3.46Å; I57-M61 PolarHBondContact O-N 3.48Å
58Q85.4Confident82.7Confident135 Ų13571.1 Ų71.163%0.63134%0.341SS*.Hα-helixtrans-56.3-40.1177.8-175.8178.429.500111.4R54 L62R54-Q58 VanDerWaalsContact O-CB 3.24Å; R54-Q58 WeakPolarHBondContact O-CB 3.3Å; R54-Q58 PolarHBondContact O-N 2.86Å; Q58-L62 VanDerWaalsContact O-CB 3.24Å; Q58-L62 WeakPolarHBondContact O-CB 3.29Å; Q58-L62 PolarHBondContact O-N 2.99Å
59K85.3Confident83.1Confident88 Ų8871 Ų7138%0.38334%0.34SS..Hα-helixtrans-73.6-38.5176.8-178.6146.3162.9-162.60113E55 I56 I57 M61 L62 D63 I89E55-K59 WeakPolarHBondContact O-CB 3.34Å; E55-K59 PolarHBondContact O-N 3.07Å; I56-K59 PolarHBondContact O-N 2.89Å; I57-K59 PolarHBondContact O-N 3.4Å; K59-M61 VanDerWaalsContact C-N 3.3Å; K59-M61 PolarHBondContact O-N 2.81Å; K59-L62 PolarHBondContact O-N 2.78Å; K59-D63 WeakPolarHBondContact CE-OD2 2.94Å; K59-D63 VanDerWaalsContact CG-OD2 3.27Å; K59-D63 WeakPolarHBondContact CG-OD2 3.11Å; K59-D63 VanDerWaalsContact O-CB 3.29Å; K59-D63 WeakPolarHBondContact O-CB 3.17Å; K59-D63 VanDerWaalsContact O-CG 3.3Å; K59-D63 PolarHBondContact O-N 3.28Å; K59-I89 HydrophobicContact CB-CD1 3.84Å; K59-I89 HydrophobicContact CD-CD1 3.22Å; K59-I89 HydrophobicContact CG-CD1 3.58Å
60L86Confident83.5Confident6 Ų669 Ų693%0.03133%0.33CS..Hα-helixtrans-59.2-43172.2-74.3167.8000111.5L37 F41 I56 I57 G64 I80 I89 F93L37-L60 HydrophobicContact CD1-CB 4.42Å; F41-L60 HydrophobicContact CE2-CD1 4.17Å; F41-L60 HydrophobicContact CZ-CD1 4.41Å; I56-L60 HydrophobicContact CG2-CD1 3.81Å; I56-L60 HydrophobicContact CG2-CG 4.38Å; I56-L60 VanDerWaalsContact O-CG 3.29Å; I56-L60 WeakPolarHBondContact O-CG 3.32Å; I56-L60 PolarHBondContact O-N 2.81Å; I57-L60 WeakPolarHBondContact O-CB 3.43Å; I57-L60 PolarHBondContact O-N 3.12Å; I57-L60 VanDerWaalsContact O-N 3.09Å; L60-G64 VanDerWaalsContact O-CA 3.29Å; L60-G64 WeakPolarHBondContact O-CA 3.43Å; L60-G64 PolarHBondContact O-N 2.98Å; L60-I80 HydrophobicContact CD2-CG2 3.91Å; L60-I89 HydrophobicContact CD2-CG2 4.08Å; L60-I89 HydrophobicContact CG-CG2 3.97Å; L60-F93 HydrophobicContact CD1-CB 3.93Å; L60-F93 HydrophobicContact CD1-CD1 4.37Å; L60-F93 HydrophobicContact CD1-CD2 3.48Å; L60-F93 VanDerWaalsContact CD1-CD2 3.48Å; L60-F93 HydrophobicContact CD1-CE2 4.02Å; L60-F93 HydrophobicContact CD1-CG 3.68Å; L60-F93 HydrophobicContact CD2-CB 4.01Å; L60-F93 HydrophobicContact CD2-CD1 3.91Å; L60-F93 HydrophobicContact CD2-CD2 4.49Å; L60-F93 HydrophobicContact CD2-CE1 4.47Å; L60-F93 HydrophobicContact CD2-CG 3.9Å; L60-F93 HydrophobicContact CG-CG 4.47Å
61M85Confident83.9Confident23 Ų2368.4 Ų68.411%0.11332%0.315CS..Hα-helixtrans-64.6-49.3174.5-67.8-61-59.700110.6L37 I57 K59 D63 G64 D65 G70 I72L37-M61 HydrophobicContact CD1-CG 4.08Å; L37-M61 HydrophobicContact CD1-SD 3.73Å; I57-M61 HydrophobicContact CG2-CG 4.35Å; I57-M61 WeakPolarHBondContact O-CG 3.46Å; I57-M61 PolarHBondContact O-N 3.48Å; K59-M61 VanDerWaalsContact C-N 3.3Å; K59-M61 PolarHBondContact O-N 2.81Å; M61-D63 PolarHBondContact O-N 3.33Å; M61-G64 PolarHBondContact O-N 3.17Å; M61-D65 HydrophobicContact CE-CB 4.41Å; M61-D65 WeakPolarHBondContact O-CB 3.29Å; M61-D65 PolarHBondContact O-N 3.09Å; M61-G70 WeakPolarHBondContact CE-O 3.29Å; M61-I72 HydrophobicContact SD-CD1 3.69Å; M61-I72 HydrophobicContact SD-CG1 3.97Å
62L83.1Confident84.4Confident134 Ų13462.8 Ų62.870%0.70229%0.294SS*.Hα-helixtrans-63.9-38.3-177.8-171.7144.5000113.7Q58 K59Q58-L62 VanDerWaalsContact O-CB 3.24Å; Q58-L62 WeakPolarHBondContact O-CB 3.29Å; Q58-L62 PolarHBondContact O-N 2.99Å; K59-L62 PolarHBondContact O-N 2.78Å
63D82.7Confident84.8Confident65 Ų6559.5 Ų59.535%0.34828%0.282SS..Hα-helixtrans-83.6-30.6-179.7-66-15.8000111.9K59 M61K59-D63 WeakPolarHBondContact CE-OD2 2.94Å; K59-D63 VanDerWaalsContact CG-OD2 3.27Å; K59-D63 WeakPolarHBondContact CG-OD2 3.11Å; K59-D63 VanDerWaalsContact O-CB 3.29Å; K59-D63 WeakPolarHBondContact O-CB 3.17Å; K59-D63 VanDerWaalsContact O-CG 3.3Å; K59-D63 PolarHBondContact O-N 3.28Å; M61-D63 PolarHBondContact O-N 3.33Å
64G83.8Confident85.1Confident0 Ų060.8 Ų60.80%029%0.286CS..Hα-helixtrans-93.5-43.1-17200000115.2L60 M61 R66 E76L60-G64 VanDerWaalsContact O-CA 3.29Å; L60-G64 WeakPolarHBondContact O-CA 3.43Å; L60-G64 PolarHBondContact O-N 2.98Å; M61-G64 PolarHBondContact O-N 3.17Å; G64-R66 VanDerWaalsContact C-N 3.34Å; G64-R66 PolarHBondContact O-N 3.19Å; G64-E76 VanDerWaalsContact O-CB 3.23Å; G64-E76 WeakPolarHBondContact O-CB 3.46Å; G64-E76 VanDerWaalsContact O-CG 3.24Å; G64-E76 WeakPolarHBondContact O-CG 3.49Å
65D85.2Confident85.4Confident18 Ų1860.9 Ų60.910%0.09630%0.295CS..  trans-7881.9179.3177.44.8000109.7M61 N67 K68 D69 G70 K71M61-D65 HydrophobicContact CE-CB 4.41Å; M61-D65 WeakPolarHBondContact O-CB 3.29Å; M61-D65 PolarHBondContact O-N 3.09Å; D65-N67 PolarHBondContact OD1-OD1 3.42Å; D65-K68 PolarHBondContact O-N 3.23Å; D65-K68 WeakPolarHBondContact OD1-CA 3.32Å; D65-K68 PolarHBondContact OD1-N 3.37Å; D65-D69 PolarHBondContact OD1-N 2.87Å; D65-G70 WeakPolarHBondContact OD2-CA 3.17Å; D65-G70 PolarHBondContact OD2-N 3.19Å; D65-K71 VanDerWaalsContact CG-O 3.3Å; D65-K71 PolarHBondContact OD2-N 3.35Å
66R85Confident85.7Confident140 Ų14056.1 Ų56.153%0.52827%0.273SS..SBendtrans-76-30.9-173.3-76.4179.4144-157.4-9.9111.6G64 K68 E76 Y79G64-R66 VanDerWaalsContact C-N 3.34Å; G64-R66 PolarHBondContact O-N 3.19Å; R66-K68 VanDerWaalsContact C-N 3.34Å; R66-E76 HydrophobicContact CB-CG 4.47Å; R66-E76 PolarHBondContact N-OE1 2.9Å; R66-Y79 VanDerWaalsContact NE-CZ 3.31Å; R66-Y79 PolarHBondContact NH2-OH 2.81Å
67N85.3Confident85.8Confident93 Ų9355.4 Ų55.450%0.49727%0.269SS..SBendtrans-83.9-11.2177.774.516.5000112.8D65 D69 E76D65-N67 PolarHBondContact OD1-OD1 3.42Å; N67-D69 VanDerWaalsContact C-N 3.34Å; N67-D69 PolarHBondContact ND2-OD2 3.41Å; N67-D69 VanDerWaalsContact ND2-OD2 3.17Å; N67-D69 WeakPolarHBondContact OD1-CB 3.31Å; N67-D69 PolarHBondContact OD1-N 3.04Å; N67-D69 PolarHBondContact OD1-OD1 3.46Å; N67-D69 VanDerWaalsContact OD1-OD1 3.07Å; N67-D69 PolarHBondContact OD1-OD2 3.08Å; N67-E76 PolarHBondContact N-OE1 2.77Å; N67-E76 VanDerWaalsContact N-OE1 3.16Å
68K82.6Confident85.8Confident174 Ų17456 Ų5676%0.75727%0.273SS*.  trans62.634180-56.2-176.8179.9-179.40113.7D65 R66 G70D65-K68 PolarHBondContact O-N 3.23Å; D65-K68 WeakPolarHBondContact OD1-CA 3.32Å; D65-K68 PolarHBondContact OD1-N 3.37Å; R66-K68 VanDerWaalsContact C-N 3.34Å; K68-G70 VanDerWaalsContact C-N 3.29Å
69D81.6Confident85.7Confident42 Ų4251.5 Ų51.523%0.22525%0.25CS..SBendtrans-85.8-1.4177.873.21.9000113.2D65 N67 K71D65-D69 PolarHBondContact OD1-N 2.87Å; N67-D69 VanDerWaalsContact C-N 3.34Å; N67-D69 PolarHBondContact ND2-OD2 3.41Å; N67-D69 VanDerWaalsContact ND2-OD2 3.17Å; N67-D69 WeakPolarHBondContact OD1-CB 3.31Å; N67-D69 PolarHBondContact OD1-N 3.04Å; N67-D69 PolarHBondContact OD1-OD1 3.46Å; N67-D69 VanDerWaalsContact OD1-OD1 3.07Å; N67-D69 PolarHBondContact OD1-OD2 3.08Å; D69-K71 VanDerWaalsContact CG-CG 3.46Å; D69-K71 WeakPolarHBondContact OD1-CG 3.14Å; D69-K71 PolarHBondContact OD1-N 3.34Å; D69-K71 VanDerWaalsContact OD1-N 3.12Å; D69-K71 VanDerWaalsContact OD1-O 3.05Å; D69-K71 WeakPolarHBondContact OD2-CE 3.44Å
70G82.5Confident85.6Confident16 Ų1647.5 Ų47.517%0.16523%0.233CC..SBendtrans86.913.3175.700000114.1M61 D65 K68 K447M61-G70 WeakPolarHBondContact CE-O 3.29Å; D65-G70 WeakPolarHBondContact OD2-CA 3.17Å; D65-G70 PolarHBondContact OD2-N 3.19Å; K68-G70 VanDerWaalsContact C-N 3.29Å; G70-K447 PolarHBondContact O-NZ 3.36Å
71K86.5Confident85.2Confident30 Ų3048.8 Ų48.813%0.1324%0.239CC..EExtended strand (participates in β ladder)trans-147.7163.9-17955.7-175.4-174.3168.70110.2F31 I32 D65 D69F31-K71 HydrophobicContact CB-CB 4Å; F31-K71 HydrophobicContact CB-CD 3.72Å; F31-K71 HydrophobicContact CB-CG 4.1Å; F31-K71 HydrophobicContact CD1-CD 3.58Å; F31-K71 HydrophobicContact CD1-CG 3.88Å; F31-K71 HydrophobicContact CD2-CD 4.04Å; F31-K71 HydrophobicContact CE1-CD 4.18Å; F31-K71 VanDerWaalsContact CE2-NZ 3.3Å; F31-K71 HydrophobicContact CG-CD 3.51Å; F31-K71 HydrophobicContact CG-CG 4.14Å; I32-K71 CarbonylContact O-C 3.39Å; I32-K71 WeakPolarHBondContact O-CA 3.24Å; D65-K71 VanDerWaalsContact CG-O 3.3Å; D65-K71 PolarHBondContact OD2-N 3.35Å; D69-K71 VanDerWaalsContact CG-CG 3.46Å; D69-K71 WeakPolarHBondContact OD1-CG 3.14Å; D69-K71 PolarHBondContact OD1-N 3.34Å; D69-K71 VanDerWaalsContact OD1-N 3.12Å; D69-K71 VanDerWaalsContact OD1-O 3.05Å; D69-K71 WeakPolarHBondContact OD2-CE 3.44Å
72I89.3Confident84.8Confident1 Ų150.3 Ų50.31%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-111.6113.1-178.6-64.2165000107.8F21 F31 I32 L37 M61 E76 F77 I80F21-I72 WeakPolarHBondContact CE2-O 3.41Å; F31-I72 CarbonylContact C-O 3.53Å; F31-I72 WeakPolarHBondContact CA-O 3.46Å; I32-I72 HydrophobicContact CB-CB 4.19Å; I32-I72 PolarHBondContact N-O 3.26Å; I32-I72 PolarHBondContact O-N 3.43Å; L37-I72 HydrophobicContact CD1-CD1 4.14Å; M61-I72 HydrophobicContact SD-CD1 3.69Å; M61-I72 HydrophobicContact SD-CG1 3.97Å; I72-E76 HydrophobicContact CG2-CB 3.89Å; I72-F77 HydrophobicContact CG2-CB 3.93Å; I72-I80 HydrophobicContact CD1-CD1 3.8Å; I72-I80 HydrophobicContact CG1-CD1 4.39Å; I72-I80 HydrophobicContact CG2-CD1 3.88Å
73S90.2Very high84.1Confident22 Ų2250 Ų5015%0.15424%0.24CC..EExtended strand (participates in β ladder)trans-70.7167.9171.563.10000112.2D75 E76 F77S73-D75 VanDerWaalsContact C-N 3.32Å; S73-D75 PolarHBondContact O-N 3.43Å; S73-E76 WeakPolarHBondContact CB-OE2 3.49Å; S73-E76 PolarHBondContact N-OE2 3.18Å; S73-E76 PolarHBondContact O-N 3.18Å; S73-E76 WeakPolarHBondContact OG-CB 3.46Å; S73-E76 VanDerWaalsContact OG-CD 3.28Å; S73-E76 WeakPolarHBondContact OG-CG 3.44Å; S73-E76 PolarHBondContact OG-N 3.44Å; S73-E76 PolarHBondContact OG-OE2 3.32Å; S73-F77 WeakPolarHBondContact O-CB 3.48Å; S73-F77 PolarHBondContact O-N 3.05Å
74F89.8Confident82.7Confident44 Ų4448 Ų4819%0.19323%0.231CC..Hα-helixtrans-58.2-42.9175.7179.3-109.3000112.5L14 L17 K18 F21 E76 F77 V78L14-F74 HydrophobicContact CD1-CE1 3.86Å; L14-F74 HydrophobicContact CD1-CZ 3.85Å; L14-F74 HydrophobicContact CG-CZ 4.42Å; L17-F74 HydrophobicContact CB-CE2 4.14Å; L17-F74 HydrophobicContact CB-CZ 4.27Å; K18-F74 HydrophobicContact CB-CE2 4.15Å; K18-F74 HydrophobicContact CB-CZ 4.36Å; K18-F74 HydrophobicContact CD-CZ 4.46Å; K18-F74 HydrophobicContact CG-CD2 4.35Å; K18-F74 HydrophobicContact CG-CE1 4.06Å; K18-F74 HydrophobicContact CG-CE2 3.53Å; K18-F74 HydrophobicContact CG-CZ 3.35Å; F21-F74 HydrophobicContact CB-CD2 3.88Å; F21-F74 HydrophobicContact CB-CE2 4.25Å; F21-F74 HydrophobicContact CD1-CD2 4.3Å; F21-F74 HydrophobicContact CD2-CB 4.48Å; F21-F74 HydrophobicContact CD2-CD2 4.09Å; F21-F74 HydrophobicContact CE2-CB 4.35Å; F21-F74 AromaticContact CG-CD2 3.83Å; F21-F74 HydrophobicContact CG-CD2 3.83Å; F21-F74 HydrophobicContact CZ-CB 4.35Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 PolarHBondContact O-N 2.77Å; F74-F77 WeakPolarHBondContact O-CB 3.19Å; F74-F77 PolarHBondContact O-N 3.37Å; F74-V78 HydrophobicContact CD1-CG2 4.2Å; F74-V78 HydrophobicContact CD2-CG2 4.38Å; F74-V78 HydrophobicContact CE1-CG2 3.73Å; F74-V78 HydrophobicContact CE2-CG2 3.89Å; F74-V78 HydrophobicContact CZ-CG2 3.55Å; F74-V78 VanDerWaalsContact O-CG2 3.26Å; F74-V78 WeakPolarHBondContact O-CG2 3.33Å; F74-V78 PolarHBondContact O-N 3.14Å
75D88.5Confident81.2Confident117 Ų11755.3 Ų55.363%0.62626%0.262SS*.Hα-helixtrans-64.9-37178.9-64.6-35000111.9S73 Y79S73-D75 VanDerWaalsContact C-N 3.32Å; S73-D75 PolarHBondContact O-N 3.43Å; D75-Y79 WeakPolarHBondContact O-CB 3.45Å; D75-Y79 PolarHBondContact O-N 3.21Å
76E90Very high79.9Confident14 Ų1459.4 Ų59.47%0.06529%0.293CS..Hα-helixtrans-69.6-38.2174-76.2166.2148.100112.2G64 R66 N67 I72 S73 F74 Y79 I80G64-E76 VanDerWaalsContact O-CB 3.23Å; G64-E76 WeakPolarHBondContact O-CB 3.46Å; G64-E76 VanDerWaalsContact O-CG 3.24Å; G64-E76 WeakPolarHBondContact O-CG 3.49Å; R66-E76 HydrophobicContact CB-CG 4.47Å; R66-E76 PolarHBondContact N-OE1 2.9Å; N67-E76 PolarHBondContact N-OE1 2.77Å; N67-E76 VanDerWaalsContact N-OE1 3.16Å; I72-E76 HydrophobicContact CG2-CB 3.89Å; S73-E76 WeakPolarHBondContact CB-OE2 3.49Å; S73-E76 PolarHBondContact N-OE2 3.18Å; S73-E76 PolarHBondContact O-N 3.18Å; S73-E76 WeakPolarHBondContact OG-CB 3.46Å; S73-E76 VanDerWaalsContact OG-CD 3.28Å; S73-E76 WeakPolarHBondContact OG-CG 3.44Å; S73-E76 PolarHBondContact OG-N 3.44Å; S73-E76 PolarHBondContact OG-OE2 3.32Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 PolarHBondContact O-N 2.77Å; E76-Y79 WeakPolarHBondContact O-CB 3.49Å; E76-Y79 PolarHBondContact O-N 3.08Å; E76-I80 WeakPolarHBondContact O-CG1 3.42Å; E76-I80 PolarHBondContact O-N 3.49Å
77F87.9Confident79.2Confident1 Ų154.1 Ų54.10%0.00428%0.277CS..Hα-helixtrans-63.1-44.6173.5-179.1-94.1000111.7L17 A20 F21 I32 I72 S73 F74 Y79 I80 F81 F93 I97L17-F77 HydrophobicContact CD2-CD1 4.43Å; L17-F77 HydrophobicContact CD2-CE1 4.04Å; L17-F77 WeakPolarHBondContact O-CE1 3.37Å; A20-F77 HydrophobicContact CB-CE1 4.02Å; A20-F77 HydrophobicContact CB-CZ 3.84Å; F21-F77 HydrophobicContact CB-CD1 4.04Å; F21-F77 HydrophobicContact CB-CE1 3.99Å; F21-F77 HydrophobicContact CB-CG 4.43Å; F21-F77 HydrophobicContact CB-CZ 4.32Å; F21-F77 HydrophobicContact CD2-CB 3.52Å; F21-F77 AromaticContact CD2-CD1 3.95Å; F21-F77 HydrophobicContact CD2-CD1 3.95Å; F21-F77 AromaticContact CD2-CD2 3.86Å; F21-F77 HydrophobicContact CD2-CD2 3.86Å; F21-F77 HydrophobicContact CD2-CE2 4.45Å; F21-F77 AromaticContact CD2-CG 3.54Å; F21-F77 HydrophobicContact CD2-CG 3.54Å; F21-F77 HydrophobicContact CE2-CB 3.88Å; F21-F77 HydrophobicContact CE2-CG 4.32Å; F21-F77 HydrophobicContact CG-CG 4.48Å; I32-F77 HydrophobicContact CD1-CD2 3.48Å; I32-F77 VanDerWaalsContact CD1-CD2 3.48Å; I32-F77 HydrophobicContact CD1-CE2 3.71Å; I32-F77 HydrophobicContact CD1-CG 4.35Å; I72-F77 HydrophobicContact CG2-CB 3.93Å; S73-F77 WeakPolarHBondContact O-CB 3.48Å; S73-F77 PolarHBondContact O-N 3.05Å; F74-F77 WeakPolarHBondContact O-CB 3.19Å; F74-F77 PolarHBondContact O-N 3.37Å; F77-Y79 PolarHBondContact O-N 3.31Å; F77-I80 WeakPolarHBondContact O-CB 2.97Å; F77-I80 PolarHBondContact O-N 3.06Å; F77-F81 AromaticContact CD1-CD2 3.97Å; F77-F81 HydrophobicContact CD1-CD2 3.97Å; F77-F81 HydrophobicContact CD1-CE2 4.1Å; F77-F81 HydrophobicContact CD2-CD2 4.45Å; F77-F81 HydrophobicContact CD2-CE2 4.2Å; F77-F81 AromaticContact CE1-CD2 3.69Å; F77-F81 HydrophobicContact CE1-CD2 3.69Å; F77-F81 AromaticContact CE1-CE2 3.42Å; F77-F81 HydrophobicContact CE1-CE2 3.42Å; F77-F81 VanDerWaalsContact CE1-CE2 3.42Å; F77-F81 HydrophobicContact CE1-CZ 4.04Å; F77-F81 HydrophobicContact CE2-CD2 4.23Å; F77-F81 AromaticContact CE2-CE2 3.56Å; F77-F81 HydrophobicContact CE2-CE2 3.56Å; F77-F81 HydrophobicContact CE2-CZ 4.45Å; F77-F81 HydrophobicContact CG-CD2 4.35Å; F77-F81 HydrophobicContact CG-CE2 4.45Å; F77-F81 AromaticContact CZ-CD2 3.86Å; F77-F81 HydrophobicContact CZ-CD2 3.86Å; F77-F81 AromaticContact CZ-CE2 3.13Å; F77-F81 HydrophobicContact CZ-CE2 3.13Å; F77-F81 AromaticContact CZ-CZ 3.72Å; F77-F81 HydrophobicContact CZ-CZ 3.72Å; F77-F81 WeakPolarHBondContact O-CD2 3.21Å; F77-F81 PolarHBondContact O-N 3.49Å; F77-F93 HydrophobicContact CD2-CE1 4.24Å; F77-F93 HydrophobicContact CD2-CZ 4.31Å; F77-F93 AromaticContact CE2-CE1 3.78Å; F77-F93 HydrophobicContact CE2-CE1 3.78Å; F77-F93 AromaticContact CE2-CZ 3.77Å; F77-F93 HydrophobicContact CE2-CZ 3.77Å; F77-I97 HydrophobicContact CE2-CD1 4.04Å; F77-I97 HydrophobicContact CZ-CD1 3.93Å
78V87.1Confident78.6Confident12 Ų1255.4 Ų55.47%0.07328%0.284CS..Hα-helixtrans-56.2-43.9172.4169.10000110I9 L14 L17 F74 F81 Q82I9-V78 HydrophobicContact CD1-CG1 3.21Å; L14-V78 HydrophobicContact CD1-CG2 4.48Å; L17-V78 HydrophobicContact CB-CG2 4.43Å; L17-V78 HydrophobicContact CD1-CB 4.45Å; L17-V78 HydrophobicContact CD1-CG1 4.24Å; L17-V78 HydrophobicContact CD1-CG2 4Å; F74-V78 HydrophobicContact CD1-CG2 4.2Å; F74-V78 HydrophobicContact CD2-CG2 4.38Å; F74-V78 HydrophobicContact CE1-CG2 3.73Å; F74-V78 HydrophobicContact CE2-CG2 3.89Å; F74-V78 HydrophobicContact CZ-CG2 3.55Å; F74-V78 VanDerWaalsContact O-CG2 3.26Å; F74-V78 WeakPolarHBondContact O-CG2 3.33Å; F74-V78 PolarHBondContact O-N 3.14Å; V78-F81 CarbonylContact O-C 3.19Å; V78-F81 WeakPolarHBondContact O-CA 3.24Å; V78-F81 WeakPolarHBondContact O-CB 3.33Å; V78-F81 PolarHBondContact O-N 3.09Å; V78-F81 VanDerWaalsContact O-N 3.13Å; V78-Q82 HydrophobicContact CG1-CG 4.22Å; V78-Q82 WeakPolarHBondContact O-CB 3.34Å; V78-Q82 WeakPolarHBondContact O-CG 3.24Å; V78-Q82 PolarHBondContact O-N 3.31Å
79Y83.2Confident78.3Confident42 Ų4248.5 Ų48.517%0.16526%0.255CS..Hα-helixtrans-61.9-44.8176.3173.3-99000113R66 D75 E76 F77 F81 Q82 E83R66-Y79 VanDerWaalsContact NE-CZ 3.31Å; R66-Y79 PolarHBondContact NH2-OH 2.81Å; D75-Y79 WeakPolarHBondContact O-CB 3.45Å; D75-Y79 PolarHBondContact O-N 3.21Å; E76-Y79 WeakPolarHBondContact O-CB 3.49Å; E76-Y79 PolarHBondContact O-N 3.08Å; F77-Y79 PolarHBondContact O-N 3.31Å; Y79-F81 PolarHBondContact O-N 2.79Å; Y79-Q82 PolarHBondContact O-N 2.85Å; Y79-Q82 VanDerWaalsContact O-N 3.13Å; Y79-E83 HydrophobicContact CD2-CB 4.35Å; Y79-E83 HydrophobicContact CD2-CG 4.1Å; Y79-E83 HydrophobicContact CE2-CB 3.79Å; Y79-E83 HydrophobicContact CE2-CG 3.37Å; Y79-E83 WeakPolarHBondContact CE2-OE1 3.47Å; Y79-E83 WeakPolarHBondContact CE2-OE2 3.46Å; Y79-E83 VanDerWaalsContact CZ-CD 3.41Å; Y79-E83 PolarHBondContact O-N 2.92Å; Y79-E83 PolarHBondContact OH-OE2 3.43Å
80I81.5Confident77.9Confident4 Ų446.6 Ų46.62%0.02125%0.245CC..Hα-helixtrans-55.4-40.4172.9-65166.6000110.2L60 I72 E76 F77 V84 F93L60-I80 HydrophobicContact CD2-CG2 3.91Å; I72-I80 HydrophobicContact CD1-CD1 3.8Å; I72-I80 HydrophobicContact CG1-CD1 4.39Å; I72-I80 HydrophobicContact CG2-CD1 3.88Å; E76-I80 WeakPolarHBondContact O-CG1 3.42Å; E76-I80 PolarHBondContact O-N 3.49Å; F77-I80 WeakPolarHBondContact O-CB 2.97Å; F77-I80 PolarHBondContact O-N 3.06Å; I80-V84 VanDerWaalsContact O-CB 3.24Å; I80-V84 WeakPolarHBondContact O-CB 3.47Å; I80-V84 WeakPolarHBondContact O-CG2 3.44Å; I80-V84 PolarHBondContact O-N 3.49Å; I80-F93 HydrophobicContact CG2-CD1 4.23Å; I80-F93 HydrophobicContact CG2-CE1 4.3Å
81F78Confident77.7Confident33 Ų3350.6 Ų50.615%0.14526%0.258CS..Hα-helixtrans-74.9-29.9178.7-91.2-105.1000114.1L17 F77 V78 Y79 F93 R94 I97L17-F81 HydrophobicContact CD2-CB 3.55Å; L17-F81 HydrophobicContact CD2-CD1 3.3Å; L17-F81 HydrophobicContact CD2-CD2 3.92Å; L17-F81 HydrophobicContact CD2-CE1 3.86Å; L17-F81 HydrophobicContact CD2-CE2 4.43Å; L17-F81 HydrophobicContact CD2-CG 3.31Å; L17-F81 HydrophobicContact CD2-CZ 4.38Å; F77-F81 AromaticContact CD1-CD2 3.97Å; F77-F81 HydrophobicContact CD1-CD2 3.97Å; F77-F81 HydrophobicContact CD1-CE2 4.1Å; F77-F81 HydrophobicContact CD2-CD2 4.45Å; F77-F81 HydrophobicContact CD2-CE2 4.2Å; F77-F81 AromaticContact CE1-CD2 3.69Å; F77-F81 HydrophobicContact CE1-CD2 3.69Å; F77-F81 AromaticContact CE1-CE2 3.42Å; F77-F81 HydrophobicContact CE1-CE2 3.42Å; F77-F81 VanDerWaalsContact CE1-CE2 3.42Å; F77-F81 HydrophobicContact CE1-CZ 4.04Å; F77-F81 HydrophobicContact CE2-CD2 4.23Å; F77-F81 AromaticContact CE2-CE2 3.56Å; F77-F81 HydrophobicContact CE2-CE2 3.56Å; F77-F81 HydrophobicContact CE2-CZ 4.45Å; F77-F81 HydrophobicContact CG-CD2 4.35Å; F77-F81 HydrophobicContact CG-CE2 4.45Å; F77-F81 AromaticContact CZ-CD2 3.86Å; F77-F81 HydrophobicContact CZ-CD2 3.86Å; F77-F81 AromaticContact CZ-CE2 3.13Å; F77-F81 HydrophobicContact CZ-CE2 3.13Å; F77-F81 AromaticContact CZ-CZ 3.72Å; F77-F81 HydrophobicContact CZ-CZ 3.72Å; F77-F81 WeakPolarHBondContact O-CD2 3.21Å; F77-F81 PolarHBondContact O-N 3.49Å; V78-F81 CarbonylContact O-C 3.19Å; V78-F81 WeakPolarHBondContact O-CA 3.24Å; V78-F81 WeakPolarHBondContact O-CB 3.33Å; V78-F81 PolarHBondContact O-N 3.09Å; V78-F81 VanDerWaalsContact O-N 3.13Å; Y79-F81 PolarHBondContact O-N 2.79Å; F81-F93 HydrophobicContact CE2-CD1 4.13Å; F81-F93 AromaticContact CE2-CE1 3.76Å; F81-F93 HydrophobicContact CE2-CE1 3.76Å; F81-R94 HydrophobicContact CD1-CG 4.3Å; F81-R94 HydrophobicContact CE1-CG 3.72Å; F81-R94 HydrophobicContact CZ-CG 4.05Å; F81-R94 PolarHBondContact O-NH2 3.16Å; F81-I97 HydrophobicContact CE2-CD1 3.84Å; F81-I97 HydrophobicContact CZ-CD1 3.57Å
82Q76Confident77.4Confident55 Ų5550.5 Ų50.526%0.25726%0.26SS..Hα-helixtrans-85.1-54.2-178.6-75-173.3-47.300113.4T7 I9 V78 Y79T7-Q82 PolarHBondContact O-NE2 3.49Å; T7-Q82 VanDerWaalsContact OG1-CD 3.23Å; T7-Q82 PolarHBondContact OG1-NE2 3.23Å; T7-Q82 PolarHBondContact OG1-OE1 3.16Å; I9-Q82 HydrophobicContact CD1-CG 4.27Å; V78-Q82 HydrophobicContact CG1-CG 4.22Å; V78-Q82 WeakPolarHBondContact O-CB 3.34Å; V78-Q82 WeakPolarHBondContact O-CG 3.24Å; V78-Q82 PolarHBondContact O-N 3.31Å; Y79-Q82 PolarHBondContact O-N 2.85Å; Y79-Q82 VanDerWaalsContact O-N 3.13Å
83E68.8Low77.1Confident127 Ų12750.5 Ų50.559%0.59326%0.26SS*.Hα-helixtrans-74.9-30.8-175.2-94.6-152.3-172.400112.5Y79 K85Y79-E83 HydrophobicContact CD2-CB 4.35Å; Y79-E83 HydrophobicContact CD2-CG 4.1Å; Y79-E83 HydrophobicContact CE2-CB 3.79Å; Y79-E83 HydrophobicContact CE2-CG 3.37Å; Y79-E83 WeakPolarHBondContact CE2-OE1 3.47Å; Y79-E83 WeakPolarHBondContact CE2-OE2 3.46Å; Y79-E83 VanDerWaalsContact CZ-CD 3.41Å; Y79-E83 PolarHBondContact O-N 2.92Å; Y79-E83 PolarHBondContact OH-OE2 3.43Å; E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.23Å
84V54.6Low76.6Confident24 Ų2452 Ų5215%0.14526%0.262CS..THydrogen-bonded Turntrans-96.546.1-172.5-154.20000111.4I80 S86 S87 A90 R94I80-V84 VanDerWaalsContact O-CB 3.24Å; I80-V84 WeakPolarHBondContact O-CB 3.47Å; I80-V84 WeakPolarHBondContact O-CG2 3.44Å; I80-V84 PolarHBondContact O-N 3.49Å; V84-S86 PolarHBondContact O-N 2.96Å; V84-S87 VanDerWaalsContact CG1-CB 3.45Å; V84-S87 WeakPolarHBondContact CG1-OG 3.49Å; V84-A90 HydrophobicContact CB-CB 3.55Å; V84-A90 HydrophobicContact CG1-CB 3.31Å; V84-A90 WeakPolarHBondContact O-CB 3.41Å; V84-R94 PolarHBondContact O-NH1 3.18Å; V84-R94 PolarHBondContact O-NH2 2.76Å
85K52.2Low76Confident152 Ų15256.1 Ų56.166%0.66128%0.28SS*.SBendtrans-66-18.8168-77.5-169.6178.4-177.50112.4E83E83-K85 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.23Å
86S57.1Low75.5Confident105 Ų10550.5 Ų50.573%0.73425%0.25SC*.SBendtrans-113.1-11.4-168.759.80000117.3V84V84-S86 PolarHBondContact O-N 2.96Å
87S69.7Low74.8Confident28 Ų2850 Ų5020%0.19625%0.247CC..  trans-88.2142.3179.7111.50000112.5V84 I89 A90 K91V84-S87 VanDerWaalsContact CG1-CB 3.45Å; V84-S87 WeakPolarHBondContact CG1-OG 3.49Å; S87-I89 PolarHBondContact O-N 3.3Å; S87-I89 VanDerWaalsContact O-N 3.14Å; S87-I89 WeakPolarHBondContact OG-CB 3.42Å; S87-I89 PolarHBondContact OG-N 3Å; S87-A90 PolarHBondContact O-N 3Å; S87-A90 PolarHBondContact OG-N 3.23Å; S87-K91 PolarHBondContact O-N 2.94Å
88D74.3Confident73.8Confident120 Ų12053.9 Ų53.964%0.64227%0.268SS*.Hα-helixtrans-59.6-23.3176.3-72.1-29.2000112.8K91 T92D88-K91 IonicContact OD1-NZ 3.79Å; D88-T92 VanDerWaalsContact O-CB 3.31Å; D88-T92 WeakPolarHBondContact O-CB 3.24Å; D88-T92 PolarHBondContact O-N 3Å; D88-T92 PolarHBondContact O-OG1 3.23Å
89I75.6Confident72.8Confident30 Ų3059.6 Ų59.615%0.15429%0.289CS..Hα-helixtrans-72.4-46.9179-65.6176000110.5I56 K59 L60 S87 K91 T92 F93I56-I89 HydrophobicContact CB-CG2 4.49Å; I56-I89 HydrophobicContact CG1-CG1 4.43Å; I56-I89 HydrophobicContact CG2-CG2 4.01Å; K59-I89 HydrophobicContact CB-CD1 3.84Å; K59-I89 HydrophobicContact CD-CD1 3.22Å; K59-I89 HydrophobicContact CG-CD1 3.58Å; L60-I89 HydrophobicContact CD2-CG2 4.08Å; L60-I89 HydrophobicContact CG-CG2 3.97Å; S87-I89 PolarHBondContact O-N 3.3Å; S87-I89 VanDerWaalsContact O-N 3.14Å; S87-I89 WeakPolarHBondContact OG-CB 3.42Å; S87-I89 PolarHBondContact OG-N 3Å; I89-K91 VanDerWaalsContact C-N 3.34Å; I89-K91 PolarHBondContact O-N 3.33Å; I89-T92 CarbonylContact O-C 3.53Å; I89-T92 WeakPolarHBondContact O-CB 3.39Å; I89-T92 PolarHBondContact O-N 3.13Å; I89-T92 VanDerWaalsContact O-N 3.11Å; I89-F93 WeakPolarHBondContact O-CB 3.35Å; I89-F93 PolarHBondContact O-N 3.45Å
90A73.9Confident71.8Confident2 Ų260.5 Ų60.52%0.01729%0.293CS..Hα-helixtrans-68.1-34.3176.200000112.5V84 S87 T92 F93 R94V84-A90 HydrophobicContact CB-CB 3.55Å; V84-A90 HydrophobicContact CG1-CB 3.31Å; V84-A90 WeakPolarHBondContact O-CB 3.41Å; S87-A90 PolarHBondContact O-N 3Å; S87-A90 PolarHBondContact OG-N 3.23Å; A90-T92 VanDerWaalsContact C-N 3.27Å; A90-T92 PolarHBondContact O-N 2.97Å; A90-F93 PolarHBondContact O-N 3.22Å; A90-R94 WeakPolarHBondContact O-CB 3.46Å; A90-R94 VanDerWaalsContact O-CG 3.31Å; A90-R94 WeakPolarHBondContact O-CG 3.24Å; A90-R94 PolarHBondContact O-N 3.26Å
91K77.4Confident70.3Confident99 Ų9961.7 Ų61.743%0.4330%0.299SS..Hα-helixtrans-61-40.2170.3-69.4176.8-172.8163.70111.3S87 D88 I89 K95S87-K91 PolarHBondContact O-N 2.94Å; D88-K91 IonicContact OD1-NZ 3.79Å; I89-K91 VanDerWaalsContact C-N 3.34Å; I89-K91 PolarHBondContact O-N 3.33Å; K91-K95 WeakPolarHBondContact O-CB 3.33Å; K91-K95 WeakPolarHBondContact O-CG 3.4Å; K91-K95 PolarHBondContact O-N 3.3Å
92T81.5Confident68.4Low28 Ų2861.5 Ų61.517%0.17231%0.306CS..Hα-helixtrans-70.3-41.1178.5-60.80000111.6F41 M46 L48 I56 D88 I89 A90 K95 A96F41-T92 HydrophobicContact CE1-CG2 3.9Å; M46-T92 HydrophobicContact CE-CG2 3.76Å; M46-T92 HydrophobicContact SD-CG2 4.17Å; L48-T92 HydrophobicContact CD1-CG2 3.73Å; I56-T92 HydrophobicContact CD1-CG2 3.57Å; D88-T92 VanDerWaalsContact O-CB 3.31Å; D88-T92 WeakPolarHBondContact O-CB 3.24Å; D88-T92 PolarHBondContact O-N 3Å; D88-T92 PolarHBondContact O-OG1 3.23Å; I89-T92 CarbonylContact O-C 3.53Å; I89-T92 WeakPolarHBondContact O-CB 3.39Å; I89-T92 PolarHBondContact O-N 3.13Å; I89-T92 VanDerWaalsContact O-N 3.11Å; A90-T92 VanDerWaalsContact C-N 3.27Å; A90-T92 PolarHBondContact O-N 2.97Å; T92-K95 WeakPolarHBondContact O-CB 3.36Å; T92-K95 PolarHBondContact O-N 3.44Å; T92-A96 WeakPolarHBondContact O-CB 3.04Å; T92-A96 PolarHBondContact O-N 3.36Å
93F82.3Confident66.2Low1 Ų163.5 Ų63.50%0.00432%0.318CS..Hα-helixtrans-63.4-48.7174.4-176.8-128.4000112.2L37 L40 F41 L60 F77 I80 F81 I89 A90 K95 A96 I97L37-F93 HydrophobicContact CD2-CD2 4.3Å; L37-F93 HydrophobicContact CD2-CE2 3.33Å; L37-F93 HydrophobicContact CD2-CZ 3.78Å; L40-F93 HydrophobicContact CD2-CD2 3.79Å; L40-F93 HydrophobicContact CD2-CE2 3.36Å; L40-F93 HydrophobicContact CD2-CZ 4.4Å; F41-F93 HydrophobicContact CE2-CD2 4.22Å; F41-F93 HydrophobicContact CZ-CB 4.44Å; F41-F93 HydrophobicContact CZ-CD2 4.13Å; L60-F93 HydrophobicContact CD1-CB 3.93Å; L60-F93 HydrophobicContact CD1-CD1 4.37Å; L60-F93 HydrophobicContact CD1-CD2 3.48Å; L60-F93 VanDerWaalsContact CD1-CD2 3.48Å; L60-F93 HydrophobicContact CD1-CE2 4.02Å; L60-F93 HydrophobicContact CD1-CG 3.68Å; L60-F93 HydrophobicContact CD2-CB 4.01Å; L60-F93 HydrophobicContact CD2-CD1 3.91Å; L60-F93 HydrophobicContact CD2-CD2 4.49Å; L60-F93 HydrophobicContact CD2-CE1 4.47Å; L60-F93 HydrophobicContact CD2-CG 3.9Å; L60-F93 HydrophobicContact CG-CG 4.47Å; F77-F93 HydrophobicContact CD2-CE1 4.24Å; F77-F93 HydrophobicContact CD2-CZ 4.31Å; F77-F93 AromaticContact CE2-CE1 3.78Å; F77-F93 HydrophobicContact CE2-CE1 3.78Å; F77-F93 AromaticContact CE2-CZ 3.77Å; F77-F93 HydrophobicContact CE2-CZ 3.77Å; I80-F93 HydrophobicContact CG2-CD1 4.23Å; I80-F93 HydrophobicContact CG2-CE1 4.3Å; F81-F93 HydrophobicContact CE2-CD1 4.13Å; F81-F93 AromaticContact CE2-CE1 3.76Å; F81-F93 HydrophobicContact CE2-CE1 3.76Å; I89-F93 WeakPolarHBondContact O-CB 3.35Å; I89-F93 PolarHBondContact O-N 3.45Å; A90-F93 PolarHBondContact O-N 3.22Å; F93-K95 VanDerWaalsContact C-N 3.29Å; F93-K95 PolarHBondContact O-N 2.85Å; F93-A96 WeakPolarHBondContact O-CB 3.39Å; F93-A96 PolarHBondContact O-N 2.91Å; F93-I97 HydrophobicContact CD1-CD1 3.98Å; F93-I97 HydrophobicContact CD2-CD1 4.25Å; F93-I97 HydrophobicContact CD2-CG1 4.43Å; F93-I97 HydrophobicContact CE1-CD1 3.62Å; F93-I97 HydrophobicContact CE2-CD1 3.89Å; F93-I97 HydrophobicContact CE2-CG1 4.2Å; F93-I97 HydrophobicContact CG-CD1 4.3Å; F93-I97 HydrophobicContact CZ-CD1 3.59Å; F93-I97 HydrophobicContact CZ-CG1 4.36Å; F93-I97 WeakPolarHBondContact O-CG1 3.24Å; F93-I97 PolarHBondContact O-N 3Å
94R78.7Confident64.7Low55 Ų5560.7 Ų60.721%0.20831%0.312CS..Hα-helixtrans-57.8-42.5172.4-71.9-171.2-166.9104.9-1.3111.4F81 V84 A90 A96 I97 N98F81-R94 HydrophobicContact CD1-CG 4.3Å; F81-R94 HydrophobicContact CE1-CG 3.72Å; F81-R94 HydrophobicContact CZ-CG 4.05Å; F81-R94 PolarHBondContact O-NH2 3.16Å; V84-R94 PolarHBondContact O-NH1 3.18Å; V84-R94 PolarHBondContact O-NH2 2.76Å; A90-R94 WeakPolarHBondContact O-CB 3.46Å; A90-R94 VanDerWaalsContact O-CG 3.31Å; A90-R94 WeakPolarHBondContact O-CG 3.24Å; A90-R94 PolarHBondContact O-N 3.26Å; R94-A96 VanDerWaalsContact C-N 3.3Å; R94-A96 PolarHBondContact O-N 2.97Å; R94-I97 PolarHBondContact O-N 3.21Å; R94-N98 VanDerWaalsContact O-CB 3.28Å; R94-N98 WeakPolarHBondContact O-CB 3.47Å; R94-N98 PolarHBondContact O-N 3.04Å; R94-N98 PolarHBondContact O-OD1 2.91Å
95K78.6Confident63.4Low129 Ų12964 Ų6456%0.56134%0.341SS*.Hα-helixtrans-62.4-35.8174.1-79.5175.6-177.6-176.90112.8M46 K91 T92 F93 R99M46-K95 HydrophobicContact CE-CB 4.35Å; M46-K95 HydrophobicContact SD-CB 4.43Å; K91-K95 WeakPolarHBondContact O-CB 3.33Å; K91-K95 WeakPolarHBondContact O-CG 3.4Å; K91-K95 PolarHBondContact O-N 3.3Å; T92-K95 WeakPolarHBondContact O-CB 3.36Å; T92-K95 PolarHBondContact O-N 3.44Å; F93-K95 VanDerWaalsContact C-N 3.29Å; F93-K95 PolarHBondContact O-N 2.85Å; K95-R99 WeakPolarHBondContact O-CB 3.42Å; K95-R99 WeakPolarHBondContact O-CG 3.34Å; K95-R99 PolarHBondContact O-N 3.46Å
96A78.3Confident62.1Low0 Ų065.2 Ų65.20%035%0.354CS..Hα-helixtrans-70.3-45.5177.900000111.5L40 F41 A44 M46 T92 F93 R94 N98 R99 K100L40-A96 HydrophobicContact CD2-CB 4.33Å; L40-A96 HydrophobicContact CG-CB 4.16Å; F41-A96 HydrophobicContact CD1-CB 3.56Å; F41-A96 HydrophobicContact CE1-CB 3.34Å; F41-A96 HydrophobicContact CG-CB 4.31Å; F41-A96 HydrophobicContact CZ-CB 3.93Å; A44-A96 HydrophobicContact CB-CB 3.92Å; A44-A96 WeakPolarHBondContact CB-O 3.32Å; M46-A96 HydrophobicContact SD-CB 3.8Å; T92-A96 WeakPolarHBondContact O-CB 3.04Å; T92-A96 PolarHBondContact O-N 3.36Å; F93-A96 WeakPolarHBondContact O-CB 3.39Å; F93-A96 PolarHBondContact O-N 2.91Å; R94-A96 VanDerWaalsContact C-N 3.3Å; R94-A96 PolarHBondContact O-N 2.97Å; A96-N98 VanDerWaalsContact C-N 3.32Å; A96-N98 PolarHBondContact O-N 3.42Å; A96-R99 PolarHBondContact O-N 3.41Å; A96-R99 VanDerWaalsContact O-N 3.15Å; A96-K100 PolarHBondContact O-N 3.23Å
97I74.5Confident60.6Low2 Ų264.1 Ų64.11%0.0136%0.359CS..Hα-helixtrans-54.9-51.2170.9-64.5172.4000109.7A20 V24 L40 F77 F81 F93 R94 R99 K100 E101A20-I97 HydrophobicContact CB-CG2 4.05Å; V24-I97 HydrophobicContact CG2-CD1 4.17Å; V24-I97 HydrophobicContact CG2-CG1 3.95Å; L40-I97 HydrophobicContact CD1-CG1 4.15Å; L40-I97 HydrophobicContact CD2-CG1 3.8Å; F77-I97 HydrophobicContact CE2-CD1 4.04Å; F77-I97 HydrophobicContact CZ-CD1 3.93Å; F81-I97 HydrophobicContact CE2-CD1 3.84Å; F81-I97 HydrophobicContact CZ-CD1 3.57Å; F93-I97 HydrophobicContact CD1-CD1 3.98Å; F93-I97 HydrophobicContact CD2-CD1 4.25Å; F93-I97 HydrophobicContact CD2-CG1 4.43Å; F93-I97 HydrophobicContact CE1-CD1 3.62Å; F93-I97 HydrophobicContact CE2-CD1 3.89Å; F93-I97 HydrophobicContact CE2-CG1 4.2Å; F93-I97 HydrophobicContact CG-CD1 4.3Å; F93-I97 HydrophobicContact CZ-CD1 3.59Å; F93-I97 HydrophobicContact CZ-CG1 4.36Å; F93-I97 WeakPolarHBondContact O-CG1 3.24Å; F93-I97 PolarHBondContact O-N 3Å; R94-I97 PolarHBondContact O-N 3.21Å; I97-R99 VanDerWaalsContact C-N 3.26Å; I97-R99 PolarHBondContact O-N 3.47Å; I97-K100 PolarHBondContact O-N 3.04Å; I97-E101 WeakPolarHBondContact O-CG 3.32Å; I97-E101 PolarHBondContact O-N 3.13Å
98N67.8Low58.4Low83 Ų8365.8 Ų65.844%0.44438%0.381SS..Hα-helixtrans-69.3-18.3-179.8-61.58.4000114.3R94 A96 E101R94-N98 VanDerWaalsContact O-CB 3.28Å; R94-N98 WeakPolarHBondContact O-CB 3.47Å; R94-N98 PolarHBondContact O-N 3.04Å; R94-N98 PolarHBondContact O-OD1 2.91Å; A96-N98 VanDerWaalsContact C-N 3.32Å; A96-N98 PolarHBondContact O-N 3.42Å; N98-E101 WeakPolarHBondContact CA-OE2 3.48Å; N98-E101 WeakPolarHBondContact O-CB 3.47Å
99R64.5Low56Low133 Ų13367 Ų6750%0.50239%0.393SS..Hα-helixtrans-91.6-35.1176.8-91.6-167.9172.9-157.2-3.4112.9A44 N45 K95 A96 I97 E101 G102A44-R99 HydrophobicContact CB-CB 3.85Å; A44-R99 VanDerWaalsContact O-CD 3.28Å; A44-R99 WeakPolarHBondContact O-CD 3.44Å; N45-R99 PolarHBondContact O-NH1 3.26Å; N45-R99 VanDerWaalsContact O-NH1 3.1Å; K95-R99 WeakPolarHBondContact O-CB 3.42Å; K95-R99 WeakPolarHBondContact O-CG 3.34Å; K95-R99 PolarHBondContact O-N 3.46Å; A96-R99 PolarHBondContact O-N 3.41Å; A96-R99 VanDerWaalsContact O-N 3.15Å; I97-R99 VanDerWaalsContact C-N 3.26Å; I97-R99 PolarHBondContact O-N 3.47Å; R99-E101 PolarHBondContact O-N 3.34Å; R99-E101 VanDerWaalsContact O-N 3.15Å; R99-G102 PolarHBondContact O-N 2.69Å
100K62.8Low53.7Low61 Ų6171 Ų7127%0.26542%0.424SS..Hα-helixtrans-55.9-24.2165.6-174.4175.4-178.6-1790110.6K23 L40 E43 A96 I97K23-K100 PolarHBondContact O-NZ 3.33Å; L40-K100 HydrophobicContact CD1-CB 3.83Å; L40-K100 HydrophobicContact CD1-CD 3.48Å; L40-K100 VanDerWaalsContact CD1-CD 3.48Å; L40-K100 HydrophobicContact CD1-CG 4.29Å; E43-K100 HydrophobicContact CB-CD 4.47Å; E43-K100 HydrophobicContact CB-CG 4.24Å; A96-K100 PolarHBondContact O-N 3.23Å; I97-K100 PolarHBondContact O-N 3.04Å
101E51Low52.2Low28 Ų2880.3 Ų80.313%0.13147%0.466CS..THydrogen-bonded Turntrans-76.6-32177.1-75.617316500116.9K23 I97 N98 R99 C104K23-E101 HydrophobicContact CD-CG 3.98Å; K23-E101 IonicContact NZ-OE1 2.75Å; K23-E101 PolarHBondContact NZ-OE1 3.44Å; I97-E101 WeakPolarHBondContact O-CG 3.32Å; I97-E101 PolarHBondContact O-N 3.13Å; N98-E101 WeakPolarHBondContact CA-OE2 3.48Å; N98-E101 WeakPolarHBondContact O-CB 3.47Å; R99-E101 PolarHBondContact O-N 3.34Å; R99-E101 VanDerWaalsContact O-N 3.15Å; E101-C104 WeakPolarHBondContact OE2-CB 3.22Å; E101-C104 PolarHBondContact OE2-SG 3.32Å
102G36.4Very low49.9Very low30 Ų3083.3 Ų83.331%0.30949%0.487SS..SBendtrans50.785.6-172.500000113.1R99 Y121R99-G102 PolarHBondContact O-N 2.69Å; G102-Y121 CarbonylContact O-C 3.46Å; G102-Y121 VanDerWaalsContact O-C 3.25Å; G102-Y121 PolarHBondContact O-N 2.84Å
103I30.9Very low48.2Very low97 Ų9787 Ų8750%0.49751%0.513SS..  trans87.6140.2-171.3-49.2171.8000109.6S120 Y121 E123I103-S120 WeakPolarHBondContact O-CB 3.2Å; I103-S120 PolarHBondContact O-OG 3.49Å; I103-Y121 WeakPolarHBondContact CD1-O 3.49Å; I103-E123 HydrophobicContact CD1-CG 4.45Å
104C37.3Very low46.1Very low68 Ų6892 Ų9246%0.45955%0.549SS..  trans-176.192.4165.4-1300000104E101 S120E101-C104 WeakPolarHBondContact OE2-CB 3.22Å; E101-C104 PolarHBondContact OE2-SG 3.32Å; C104-S120 WeakPolarHBondContact CA-OG 3.47Å; C104-S120 PolarHBondContact N-OG 2.88Å; C104-S120 PolarHBondContact SG-OG 3.29Å
105A26.5Very low43.8Very low92 Ų9298.6 Ų98.676%0.7658%0.582SS**  trans-88.9132-176.300000110.2G107A105-G107 PolarHBondContact O-N 3.48Å
106L26Very low41.7Very low179 Ų17996 Ų9694%0.93759%0.591SS**  trans-47.2121174.7-69.8137.2000112.9
107G24.7Very low39.8Very low82 Ų82100.3 Ų100.385%0.84562%0.618SS**  trans-97.694.1160.400000110A105A105-G107 PolarHBondContact O-N 3.48Å
108G23.3Very low37.8Very low63 Ų63109 Ų10965%0.64966%0.658SS**  trans-69.2132.9171.300000111.9S110G108-S110 PolarHBondContact O-N 3Å
109T24.3Very low36.8Very low146 Ų146108 Ų10890%0.89665%0.651SS**  trans-1.997.3153.752.50000117
110S27.9Very low36.2Very low114 Ų114102.2 Ų102.280%0.79763%0.631SS**  trans-166.9147.9141.7510000112.3G108 L112G108-S110 PolarHBondContact O-N 3Å; S110-L112 PolarHBondContact O-N 3.11Å; S110-L112 VanDerWaalsContact O-N 3.08Å
111E41.5Very low36.7Very low196 Ų196101.1 Ų101.192%0.91663%0.625SS**SBendtrans-8143.6-144.6-59.3-177.3146.400119.1
112L29.6Very low38.1Very low163 Ų163100.4 Ų100.485%0.85362%0.623SS**  trans-132.851.2175.2-77.8160.5000113.7S110 S114S110-L112 PolarHBondContact O-N 3.11Å; S110-L112 VanDerWaalsContact O-N 3.08Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-S114 PolarHBondContact O-N 2.84Å
113S44.6Very low40.6Very low105 Ų105102.3 Ų102.373%0.73462%0.624SS**  trans-76.558.1179.450.40000115.2
114S39.6Very low43.3Very low107 Ų107101.8 Ų101.875%0.74862%0.62SS**  trans-104.94.9174.543.30000117.2L112L112-S114 VanDerWaalsContact C-N 3.34Å; L112-S114 PolarHBondContact O-N 2.84Å
115E29.4Very low45.8Very low193 Ų19399.9 Ų99.990%0.90260%0.604SS**SBendtrans-140.394.7171-75.7-172.716000113.6
116G35.7Very low49.1Very low73 Ų7395.7 Ų95.775%0.75357%0.569SS**  trans81.2115140.100000118.1Q118G116-Q118 PolarHBondContact O-N 3.21Å
117T37.1Very low52.3Low92 Ų9291 Ų9156%0.56454%0.539SS*.  trans-46.1107162.8-44.50000110.2H119T117-H119 PolarHBondContact O-N 3.28Å
118Q33.2Very low55.7Low185 Ų18587.3 Ų87.386%0.86450%0.5SS*.  trans-80.177.5-180-159.1179.219.400108.6G116G116-Q118 PolarHBondContact O-N 3.21Å
119H45.8Very low59.2Low60 Ų6084.3 Ų84.328%0.27847%0.469SS..  trans-61.4140.3171-54.9-80.9000109.1E19 T117 H225E19-H119 IonicContact OE1-CE1 2.85Å; E19-H119 PolarHBondContact OE1-CE1 2.56Å; E19-H119 IonicContact OE1-ND1 2.94Å; E19-H119 IonicContact OE1-NE2 3.52Å; E19-H119 IonicContact OE2-CE1 2.71Å; E19-H119 PolarHBondContact OE2-CE1 2.87Å; E19-H119 IonicContact OE2-ND1 3.8Å; E19-H119 PolarHBondContact OE2-ND1 3.33Å; T117-H119 PolarHBondContact O-N 3.28Å; H119-H225 WeakPolarHBondContact CB-CE1 3.26Å; H119-H225 WeakPolarHBondContact CB-ND1 3.46Å; H119-H225 WeakPolarHBondContact CB-NE2 3.37Å; H119-H225 AromaticContact CG-CE1 3.99Å; H119-H225 PolarHBondContact O-CE1 3.04Å; H119-H225 PolarHBondContact O-NE2 3.46Å; H119-H225 VanDerWaalsContact O-NE2 3.09Å
120S53.4Low62.7Low12 Ų1277.3 Ų77.38%0.08443%0.427CS..  trans-111.5138.3-172.133.50000111.8I103 C104 H225I103-S120 WeakPolarHBondContact O-CB 3.2Å; I103-S120 PolarHBondContact O-OG 3.49Å; C104-S120 WeakPolarHBondContact CA-OG 3.47Å; C104-S120 PolarHBondContact N-OG 2.88Å; C104-S120 PolarHBondContact SG-OG 3.29Å; S120-H225 WeakPolarHBondContact CA-NE2 3.37Å; S120-H225 PolarHBondContact N-NE2 2.83Å; S120-H225 PolarHBondContact O-CD2 3Å; S120-H225 PolarHBondContact O-NE2 3.32Å
121Y72.1Confident66Low38 Ų3874 Ų7415%0.14940%0.4CS..  trans-135.3159.8-169.863.4-91.2000110.8G102 I103 E123 K126 D154 F157 P224 L228G102-Y121 CarbonylContact O-C 3.46Å; G102-Y121 VanDerWaalsContact O-C 3.25Å; G102-Y121 PolarHBondContact O-N 2.84Å; I103-Y121 WeakPolarHBondContact CD1-O 3.49Å; Y121-E123 WeakPolarHBondContact CE2-OE1 3.45Å; Y121-E123 PolarHBondContact O-N 2.92Å; Y121-E123 PolarHBondContact OH-OE1 2.88Å; Y121-K126 HydrophobicContact CE2-CB 4.41Å; Y121-K126 HydrophobicContact CE2-CD 3.9Å; Y121-K126 PolarHBondContact OH-NZ 3.39Å; Y121-D154 PolarHBondContact OH-OD1 3.38Å; Y121-F157 HydrophobicContact CD2-CE2 4.43Å; Y121-F157 AromaticContact CD2-CZ 3.87Å; Y121-F157 HydrophobicContact CD2-CZ 3.87Å; Y121-F157 HydrophobicContact CE1-CE2 4.03Å; Y121-F157 HydrophobicContact CE1-CZ 4.28Å; Y121-F157 AromaticContact CE2-CE2 3.8Å; Y121-F157 HydrophobicContact CE2-CE2 3.8Å; Y121-F157 AromaticContact CE2-CZ 3.64Å; Y121-F157 HydrophobicContact CE2-CZ 3.64Å; Y121-F157 HydrophobicContact CG-CZ 4.32Å; Y121-F157 AromaticContact CZ-CE2 3.59Å; Y121-F157 AromaticContact CZ-CZ 3.88Å; Y121-P224 HydrophobicContact CD1-CB 3.15Å; Y121-P224 HydrophobicContact CD1-CG 3.69Å; Y121-P224 HydrophobicContact CD2-CB 4.31Å; Y121-P224 HydrophobicContact CE1-CB 3.68Å; Y121-P224 HydrophobicContact CE1-CG 3.78Å; Y121-P224 HydrophobicContact CG-CB 3.53Å; Y121-L228 HydrophobicContact CD2-CD1 3.71Å; Y121-L228 HydrophobicContact CG-CD1 4.17Å
122S81.7Confident68.6Low13 Ų1367.3 Ų67.39%0.09137%0.366CS..  trans-72.4117.2179.1171.50000111.9E124 E125 K126S122-E124 VanDerWaalsContact C-N 3.28Å; S122-E124 PolarHBondContact OG-N 3.45Å; S122-E124 PolarHBondContact OG-OE2 2.9Å; S122-E125 PolarHBondContact O-N 3.26Å; S122-E125 WeakPolarHBondContact OG-CG 3.49Å; S122-E125 PolarHBondContact OG-N 2.79Å; S122-E125 VanDerWaalsContact OG-N 3.08Å; S122-K126 PolarHBondContact O-N 2.94Å; S122-K126 VanDerWaalsContact O-N 3.12Å
123E86.9Confident71.8Confident70 Ų7059.5 Ų59.533%0.32733%0.325SS..Hα-helixtrans-65.8-34172-75.9-67.3132.600111.5I103 Y121 K126 Y127I103-E123 HydrophobicContact CD1-CG 4.45Å; Y121-E123 WeakPolarHBondContact CE2-OE1 3.45Å; Y121-E123 PolarHBondContact O-N 2.92Å; Y121-E123 PolarHBondContact OH-OE1 2.88Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-K126 IonicContact OE1-NZ 2.63Å; E123-K126 PolarHBondContact OE1-NZ 2.79Å; E123-K126 WeakPolarHBondContact OE2-CE 3.37Å; E123-K126 IonicContact OE2-NZ 2.94Å; E123-K126 PolarHBondContact OE2-NZ 2.89Å; E123-Y127 WeakPolarHBondContact O-CB 3.34Å; E123-Y127 PolarHBondContact O-N 3.12Å
124E89Confident74.4Confident87 Ų8755.7 Ų55.741%0.40730%0.297SS..Hα-helixtrans-61.9-46.9176.4-56.978.4-170.800111.1S122 Y127 A128 D357 L365S122-E124 VanDerWaalsContact C-N 3.28Å; S122-E124 PolarHBondContact OG-N 3.45Å; S122-E124 PolarHBondContact OG-OE2 2.9Å; E124-Y127 PolarHBondContact O-N 3.45Å; E124-A128 WeakPolarHBondContact O-CB 3.27Å; E124-A128 PolarHBondContact O-N 3.4Å; E124-D357 VanDerWaalsContact CB-OD1 3.26Å; E124-D357 WeakPolarHBondContact CB-OD1 3.2Å; E124-D357 WeakPolarHBondContact CG-OD1 3.33Å; E124-L365 HydrophobicContact CB-CD1 3.82Å
125E90Very high77Confident28 Ų2856.4 Ų56.413%0.13129%0.287CS..Hα-helixtrans-64.7-44.4176.5-70.6-179.8-167.100111.9S122 Y127 A128 F129 L228 K364 L365S122-E125 PolarHBondContact O-N 3.26Å; S122-E125 WeakPolarHBondContact OG-CG 3.49Å; S122-E125 PolarHBondContact OG-N 2.79Å; S122-E125 VanDerWaalsContact OG-N 3.08Å; E125-Y127 VanDerWaalsContact C-N 3.33Å; E125-Y127 PolarHBondContact O-N 3.4Å; E125-A128 PolarHBondContact O-N 3.37Å; E125-F129 HydrophobicContact CB-CE2 3.99Å; E125-F129 HydrophobicContact CB-CZ 4.1Å; E125-F129 HydrophobicContact CG-CZ 4.36Å; E125-F129 WeakPolarHBondContact O-CB 3.48Å; E125-F129 WeakPolarHBondContact O-CD2 3.43Å; E125-F129 WeakPolarHBondContact O-CG 3.37Å; E125-F129 PolarHBondContact O-N 3.46Å; E125-L228 HydrophobicContact CB-CD1 4.46Å; E125-K364 HydrophobicContact CG-CD 4.24Å; E125-K364 WeakPolarHBondContact OE1-CD 3.08Å; E125-K364 WeakPolarHBondContact OE1-CE 3.42Å; E125-K364 IonicContact OE1-NZ 2.69Å; E125-K364 PolarHBondContact OE1-NZ 2.9Å; E125-K364 IonicContact OE2-NZ 3.39Å; E125-K364 PolarHBondContact OE2-NZ 2.84Å; E125-L365 HydrophobicContact CG-CD2 4.32Å
126K94.2Very high80.2Confident3 Ų349.1 Ų49.11%0.01326%0.259CS..Hα-helixtrans-55.5-50.3174.8-176.9-176.573.7-168.20110.8Y121 S122 E123 A128 F129 V130 T153 D154 L156 F157 L228Y121-K126 HydrophobicContact CE2-CB 4.41Å; Y121-K126 HydrophobicContact CE2-CD 3.9Å; Y121-K126 PolarHBondContact OH-NZ 3.39Å; S122-K126 PolarHBondContact O-N 2.94Å; S122-K126 VanDerWaalsContact O-N 3.12Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-K126 IonicContact OE1-NZ 2.63Å; E123-K126 PolarHBondContact OE1-NZ 2.79Å; E123-K126 WeakPolarHBondContact OE2-CE 3.37Å; E123-K126 IonicContact OE2-NZ 2.94Å; E123-K126 PolarHBondContact OE2-NZ 2.89Å; K126-A128 PolarHBondContact O-N 3.48Å; K126-F129 PolarHBondContact O-N 2.84Å; K126-V130 WeakPolarHBondContact O-CB 3.41Å; K126-V130 VanDerWaalsContact O-CG2 3.31Å; K126-V130 WeakPolarHBondContact O-CG2 3.18Å; K126-V130 PolarHBondContact O-N 3.49Å; K126-T153 WeakPolarHBondContact CE-O 3.43Å; K126-D154 IonicContact NZ-OD1 3.95Å; K126-D154 PolarHBondContact NZ-OD1 2.81Å; K126-L156 HydrophobicContact CG-CB 4.47Å; K126-L156 HydrophobicContact CG-CD2 4.01Å; K126-F157 HydrophobicContact CD-CE2 3.66Å; K126-F157 HydrophobicContact CD-CZ 3.71Å; K126-F157 HydrophobicContact CG-CZ 4.14Å; K126-L228 HydrophobicContact CB-CD1 4.44Å; K126-L228 HydrophobicContact CB-CD2 4.14Å
127Y95.1Very high83.1Confident82 Ų8245.9 Ų45.932%0.32223%0.225SC..Hα-helixtrans-59.5-47.5-179.8-173.2-84.5000111.6E123 E124 E125 N131 P151 T354E123-Y127 WeakPolarHBondContact O-CB 3.34Å; E123-Y127 PolarHBondContact O-N 3.12Å; E124-Y127 PolarHBondContact O-N 3.45Å; E125-Y127 VanDerWaalsContact C-N 3.33Å; E125-Y127 PolarHBondContact O-N 3.4Å; Y127-N131 VanDerWaalsContact CD1-ND2 3.33Å; Y127-N131 WeakPolarHBondContact CD1-ND2 3.46Å; Y127-N131 WeakPolarHBondContact CE1-ND2 3.29Å; Y127-N131 PolarHBondContact O-N 2.85Å; Y127-N131 PolarHBondContact O-ND2 3.38Å; Y127-N131 VanDerWaalsContact O-ND2 3.16Å; Y127-P151 HydrophobicContact CD2-CB 3.56Å; Y127-P151 HydrophobicContact CD2-CG 4.03Å; Y127-P151 HydrophobicContact CE2-CB 3.79Å; Y127-P151 HydrophobicContact CE2-CG 3.71Å; Y127-P151 HydrophobicContact CG-CB 4.05Å; Y127-T354 HydrophobicContact CD1-CG2 3.9Å; Y127-T354 HydrophobicContact CE1-CG2 3.75Å
128A95Very high86Confident3 Ų346.7 Ų46.73%0.02522%0.222CC..Hα-helixtrans-61.6-47.3178.900000112.6E124 E125 K126 N131 W132 F352 L365E124-A128 WeakPolarHBondContact O-CB 3.27Å; E124-A128 PolarHBondContact O-N 3.4Å; E125-A128 PolarHBondContact O-N 3.37Å; K126-A128 PolarHBondContact O-N 3.48Å; A128-N131 PolarHBondContact O-N 2.84Å; A128-W132 WeakPolarHBondContact O-CB 3.45Å; A128-W132 PolarHBondContact O-N 2.99Å; A128-F352 WeakPolarHBondContact CB-O 3.49Å; A128-L365 HydrophobicContact CB-CD1 4.18Å; A128-L365 HydrophobicContact CB-CD2 3.52Å; A128-L365 HydrophobicContact CB-CG 4.48Å
129F97.1Very high89Confident0 Ų044.5 Ų44.50%022%0.216CC..Hα-helixtrans-69.4-38.3-177.9-61.1-15.6000112E125 K126 N131 W132 I133 L228 L231 W232 I235 K364 L365E125-F129 HydrophobicContact CB-CE2 3.99Å; E125-F129 HydrophobicContact CB-CZ 4.1Å; E125-F129 HydrophobicContact CG-CZ 4.36Å; E125-F129 WeakPolarHBondContact O-CB 3.48Å; E125-F129 WeakPolarHBondContact O-CD2 3.43Å; E125-F129 WeakPolarHBondContact O-CG 3.37Å; E125-F129 PolarHBondContact O-N 3.46Å; K126-F129 PolarHBondContact O-N 2.84Å; F129-N131 PolarHBondContact O-N 3.3Å; F129-W132 PolarHBondContact O-N 3.37Å; F129-I133 WeakPolarHBondContact O-CB 3.36Å; F129-I133 WeakPolarHBondContact O-CD1 3.48Å; F129-I133 WeakPolarHBondContact O-CG1 3.33Å; F129-I133 PolarHBondContact O-N 3.47Å; F129-L228 HydrophobicContact CD2-CD2 3.72Å; F129-L228 HydrophobicContact CE2-CB 4.35Å; F129-L228 HydrophobicContact CE2-CD2 4.19Å; F129-L231 HydrophobicContact CD2-CB 4.14Å; F129-W232 AromaticContact CE1-CE3 3.93Å; F129-W232 HydrophobicContact CE1-CE3 3.93Å; F129-W232 HydrophobicContact CE2-CB 4Å; F129-W232 HydrophobicContact CZ-CB 3.74Å; F129-W232 HydrophobicContact CZ-CD2 4.37Å; F129-W232 AromaticContact CZ-CE3 3.87Å; F129-W232 HydrophobicContact CZ-CE3 3.87Å; F129-W232 HydrophobicContact CZ-CG 4.35Å; F129-I235 HydrophobicContact CB-CD1 4.31Å; F129-I235 HydrophobicContact CD1-CD1 3.75Å; F129-I235 HydrophobicContact CE1-CD1 4.29Å; F129-I235 HydrophobicContact CG-CD1 4.01Å; F129-K364 HydrophobicContact CZ-CD 4.37Å; F129-L365 HydrophobicContact CE1-CD2 4.34Å
130V98Very high91.4Very high0 Ų043.1 Ų43.10%021%0.211CC..Hα-helixtrans-59.2-47.6173.7167.90000111K126 W132 I133 N134 M149 P151 L156K126-V130 WeakPolarHBondContact O-CB 3.41Å; K126-V130 VanDerWaalsContact O-CG2 3.31Å; K126-V130 WeakPolarHBondContact O-CG2 3.18Å; K126-V130 PolarHBondContact O-N 3.49Å; V130-W132 VanDerWaalsContact C-N 3.32Å; V130-W132 PolarHBondContact O-N 2.78Å; V130-I133 PolarHBondContact O-N 3.24Å; V130-N134 WeakPolarHBondContact CG1-ND2 3.48Å; V130-N134 VanDerWaalsContact O-CB 3.27Å; V130-N134 WeakPolarHBondContact O-CB 3.45Å; V130-N134 PolarHBondContact O-N 3.09Å; V130-N134 PolarHBondContact O-ND2 3.38Å; V130-M149 HydrophobicContact CG1-CB 3.81Å; V130-M149 HydrophobicContact CG1-CE 4.4Å; V130-M149 WeakPolarHBondContact CG1-O 3.45Å; V130-M149 HydrophobicContact CG2-CE 4.46Å; V130-P151 HydrophobicContact CB-CB 3.85Å; V130-P151 HydrophobicContact CG1-CB 3.65Å; V130-P151 HydrophobicContact CG1-CG 4.38Å; V130-L156 HydrophobicContact CG2-CB 3.69Å; V130-L156 HydrophobicContact CG2-CD1 4.04Å; V130-L156 HydrophobicContact CG2-CD2 4.11Å; V130-L156 HydrophobicContact CG2-CG 4.15Å
131N96.3Very high93.5Very high44 Ų4446.2 Ų46.224%0.23523%0.231CC..Hα-helixtrans-65.4-36.3179.3-72-33.6000112.7Y127 A128 F129 K135 Q351Y127-N131 VanDerWaalsContact CD1-ND2 3.33Å; Y127-N131 WeakPolarHBondContact CD1-ND2 3.46Å; Y127-N131 WeakPolarHBondContact CE1-ND2 3.29Å; Y127-N131 PolarHBondContact O-N 2.85Å; Y127-N131 PolarHBondContact O-ND2 3.38Å; Y127-N131 VanDerWaalsContact O-ND2 3.16Å; A128-N131 PolarHBondContact O-N 2.84Å; F129-N131 PolarHBondContact O-N 3.3Å; N131-K135 WeakPolarHBondContact O-CB 3.49Å; N131-K135 PolarHBondContact O-N 3.23Å; N131-Q351 PolarHBondContact O-NE2 2.81Å; N131-Q351 VanDerWaalsContact O-NE2 3.11Å
132W96.3Very high94.6Very high55 Ų5546.2 Ų46.221%0.20823%0.233CC..Hα-helixtrans-63.6-51.3173.7178.9-109.6000111.7A128 F129 V130 K135 A136 L239 Q351 F352A128-W132 WeakPolarHBondContact O-CB 3.45Å; A128-W132 PolarHBondContact O-N 2.99Å; F129-W132 PolarHBondContact O-N 3.37Å; V130-W132 VanDerWaalsContact C-N 3.32Å; V130-W132 PolarHBondContact O-N 2.78Å; W132-K135 PolarHBondContact O-N 2.79Å; W132-A136 WeakPolarHBondContact O-CB 3.29Å; W132-A136 PolarHBondContact O-N 3.31Å; W132-L239 HydrophobicContact CH2-CD2 4.37Å; W132-L239 HydrophobicContact CZ2-CD2 4.41Å; W132-Q351 HydrophobicContact CE3-CB 4.07Å; W132-Q351 HydrophobicContact CE3-CG 4.12Å; W132-Q351 HydrophobicContact CZ3-CB 4.4Å; W132-Q351 HydrophobicContact CZ3-CG 4.33Å; W132-F352 HydrophobicContact CB-CE1 3.96Å; W132-F352 HydrophobicContact CB-CZ 4.34Å; W132-F352 AromaticContact CD2-CE1 3.87Å; W132-F352 HydrophobicContact CD2-CE1 3.87Å; W132-F352 HydrophobicContact CD2-CE2 4.14Å; W132-F352 AromaticContact CD2-CZ 3.35Å; W132-F352 HydrophobicContact CD2-CZ 3.35Å; W132-F352 AromaticContact CE2-CZ 3.81Å; W132-F352 HydrophobicContact CE3-CE1 4.13Å; W132-F352 AromaticContact CE3-CE2 3.65Å; W132-F352 HydrophobicContact CE3-CE2 3.65Å; W132-F352 AromaticContact CE3-CZ 3.36Å; W132-F352 HydrophobicContact CE3-CZ 3.36Å; W132-F352 AromaticContact CG-CE1 3.78Å; W132-F352 HydrophobicContact CG-CE1 3.78Å; W132-F352 AromaticContact CG-CZ 3.79Å; W132-F352 HydrophobicContact CG-CZ 3.79Å; W132-F352 HydrophobicContact CH2-CE2 4.38Å; W132-F352 HydrophobicContact CH2-CZ 4.23Å; W132-F352 HydrophobicContact CZ2-CZ 4.23Å; W132-F352 AromaticContact CZ3-CE2 3.79Å; W132-F352 HydrophobicContact CZ3-CE2 3.79Å; W132-F352 AromaticContact CZ3-CZ 3.82Å; W132-F352 HydrophobicContact CZ3-CZ 3.82Å
133I98Very high95.4Very high0 Ų045.6 Ų45.60%023%0.229CC..Hα-helixtrans-63.4-45.3-179.1-65.2164.5000110.7F129 V130 K135 A136 L137 I147 M149 L156 V165 M169 L231F129-I133 WeakPolarHBondContact O-CB 3.36Å; F129-I133 WeakPolarHBondContact O-CD1 3.48Å; F129-I133 WeakPolarHBondContact O-CG1 3.33Å; F129-I133 PolarHBondContact O-N 3.47Å; V130-I133 PolarHBondContact O-N 3.24Å; I133-K135 PolarHBondContact O-N 3.41Å; I133-A136 PolarHBondContact O-N 3.23Å; I133-L137 HydrophobicContact CG2-CD1 3.81Å; I133-L137 HydrophobicContact CG2-CG 4.38Å; I133-L137 WeakPolarHBondContact O-CB 3.24Å; I133-L137 PolarHBondContact O-N 2.85Å; I133-I147 HydrophobicContact CG2-CD1 3.89Å; I133-M149 HydrophobicContact CB-CE 3.81Å; I133-M149 HydrophobicContact CD1-CE 4.27Å; I133-M149 HydrophobicContact CG2-CE 3.54Å; I133-L156 HydrophobicContact CD1-CD1 3.8Å; I133-V165 HydrophobicContact CG2-CG1 3.86Å; I133-M169 HydrophobicContact CB-SD 4.45Å; I133-M169 HydrophobicContact CG1-CE 4.25Å; I133-M169 HydrophobicContact CG1-CG 4.27Å; I133-M169 HydrophobicContact CG1-SD 3.88Å; I133-M169 HydrophobicContact CG2-SD 4.34Å; I133-L231 HydrophobicContact CD1-CD1 4.04Å; I133-L231 HydrophobicContact CD1-CD2 4.01Å
134N97.8Very high95.8Very high25 Ų2551.1 Ų51.113%0.13425%0.247CC..Hα-helixtrans-55.7-39.8176.2-78.9-16.8000111.6V130 E138 P148 M149V130-N134 WeakPolarHBondContact CG1-ND2 3.48Å; V130-N134 VanDerWaalsContact O-CB 3.27Å; V130-N134 WeakPolarHBondContact O-CB 3.45Å; V130-N134 PolarHBondContact O-N 3.09Å; V130-N134 PolarHBondContact O-ND2 3.38Å; N134-E138 WeakPolarHBondContact O-CA 3.47Å; N134-E138 WeakPolarHBondContact O-CB 3.44Å; N134-E138 PolarHBondContact O-N 3.5Å; N134-P148 VanDerWaalsContact OD1-CA 3.32Å; N134-P148 WeakPolarHBondContact OD1-CA 3.49Å; N134-M149 PolarHBondContact ND2-O 3.03Å; N134-M149 PolarHBondContact OD1-N 3.1Å
135K95.6Very high96.1Very high122 Ų12252.2 Ų52.253%0.5325%0.251SS..Hα-helixtrans-75.4-43178.1-173.857.9-175.8166.90112.7N131 W132 I133 E138N131-K135 WeakPolarHBondContact O-CB 3.49Å; N131-K135 PolarHBondContact O-N 3.23Å; W132-K135 PolarHBondContact O-N 2.79Å; I133-K135 PolarHBondContact O-N 3.41Å; K135-E138 IonicContact NZ-OE2 3.01Å; K135-E138 PolarHBondContact NZ-OE2 3.04Å
136A96Very high96.4Very high39 Ų3952.4 Ų52.432%0.32225%0.254SS..Hα-helixtrans-71.2-32.5-175.700000112.7W132 I133 L172W132-A136 WeakPolarHBondContact O-CB 3.29Å; W132-A136 PolarHBondContact O-N 3.31Å; I133-A136 PolarHBondContact O-N 3.23Å; A136-L172 HydrophobicContact CB-CD1 3.72Å
137L97.5Very high96.5Very high6 Ų653.3 Ų53.33%0.03126%0.259CS..THydrogen-bonded Turntrans-107.614.1-179.6-59.5179.7000113.3I133 N139 D140 I147 V165 K168 M169 L172I133-L137 HydrophobicContact CG2-CD1 3.81Å; I133-L137 HydrophobicContact CG2-CG 4.38Å; I133-L137 WeakPolarHBondContact O-CB 3.24Å; I133-L137 PolarHBondContact O-N 2.85Å; L137-N139 PolarHBondContact O-N 2.93Å; L137-D140 HydrophobicContact CB-CB 4.3Å; L137-D140 HydrophobicContact CD2-CB 4.17Å; L137-D140 PolarHBondContact O-N 3.38Å; L137-I147 HydrophobicContact CB-CG1 4.28Å; L137-V165 HydrophobicContact CD1-CG1 4.16Å; L137-K168 HydrophobicContact CD1-CB 4.04Å; L137-K168 HydrophobicContact CD2-CB 3.77Å; L137-M169 HydrophobicContact CD1-CG 4.36Å; L137-M169 HydrophobicContact CD1-SD 4.13Å; L137-M169 HydrophobicContact CG-SD 4.26Å; L137-L172 HydrophobicContact CD2-CD1 3.44Å; L137-L172 VanDerWaalsContact CD2-CD1 3.44Å; L137-L172 HydrophobicContact CD2-CG 4.27Å; L137-L172 HydrophobicContact CG-CD1 4.06Å
138E96.8Very high96.6Very high109 Ų10954.6 Ų54.651%0.50928%0.278SS..THydrogen-bonded Turntrans-50-37.4-177.8-175.2171.6-148.400112.7N134 K135N134-E138 WeakPolarHBondContact O-CA 3.47Å; N134-E138 WeakPolarHBondContact O-CB 3.44Å; N134-E138 PolarHBondContact O-N 3.5Å; K135-E138 IonicContact NZ-OE2 3.01Å; K135-E138 PolarHBondContact NZ-OE2 3.04Å
139N96.3Very high96.7Very high139 Ų13954.8 Ų54.874%0.74328%0.278SS*.THydrogen-bonded Turntrans-105.72.1-177-63.5-54.2000114.1L137 P141L137-N139 PolarHBondContact O-N 2.93Å; N139-P141 WeakPolarHBondContact O-CD 3.22Å
140D97.1Very high96.7Very high31 Ų3158.1 Ų58.117%0.16630%0.296CS..  trans-75.4118.9-177.8-171.8-70.1000110.3L137 D142 C143 K168L137-D140 HydrophobicContact CB-CB 4.3Å; L137-D140 HydrophobicContact CD2-CB 4.17Å; L137-D140 PolarHBondContact O-N 3.38Å; D140-D142 PolarHBondContact O-N 3.08Å; D140-D142 WeakPolarHBondContact OD1-CA 3.48Å; D140-D142 WeakPolarHBondContact OD1-CB 3.5Å; D140-D142 PolarHBondContact OD1-N 2.81Å; D140-C143 HydrophobicContact CB-CB 4.4Å; D140-C143 PolarHBondContact O-N 3.06Å; D140-C143 PolarHBondContact OD1-N 3.24Å; D140-K168 IonicContact OD1-NZ 3.82Å; D140-K168 WeakPolarHBondContact OD2-CD 3.45Å; D140-K168 VanDerWaalsContact OD2-CE 3.32Å; D140-K168 WeakPolarHBondContact OD2-CE 3.44Å; D140-K168 IonicContact OD2-NZ 3.68Å; D140-K168 PolarHBondContact OD2-NZ 3.38Å
141P96.3Very high96.6Very high77 Ų7759 Ų5950%0.530%0.302SS..THydrogen-bonded Turntrans-67.7-24-174.727.9-35.2000113.7N139 C143N139-P141 WeakPolarHBondContact O-CD 3.22Å; P141-C143 VanDerWaalsContact C-N 3.34Å
142D96.6Very high96.5Very high38 Ų3862.4 Ų62.420%0.20332%0.32CS..THydrogen-bonded Turntrans-85.1-10.9-176.6-55.5-47000112.3D140 H145 I164 K168 K185D140-D142 PolarHBondContact O-N 3.08Å; D140-D142 WeakPolarHBondContact OD1-CA 3.48Å; D140-D142 WeakPolarHBondContact OD1-CB 3.5Å; D140-D142 PolarHBondContact OD1-N 2.81Å; D142-H145 PolarHBondContact O-CE1 3.21Å; D142-H145 PolarHBondContact O-ND1 2.95Å; D142-I164 HydrophobicContact CB-CG2 4.23Å; D142-K168 WeakPolarHBondContact OD2-CE 3.27Å; D142-K168 IonicContact OD2-NZ 3.91Å; D142-K168 PolarHBondContact OD2-NZ 3Å; D142-K185 HydrophobicContact CB-CD 4.44Å; D142-K185 HydrophobicContact CB-CG 4.38Å; D142-K185 WeakPolarHBondContact OD1-CD 3.44Å; D142-K185 IonicContact OD1-NZ 2.64Å; D142-K185 WeakPolarHBondContact OD2-CE 3.44Å; D142-K185 IonicContact OD2-NZ 2.66Å; D142-K185 PolarHBondContact OD2-NZ 2.9Å
143C96.7Very high96.4Very high0 Ų061.9 Ų61.90%032%0.323CS..SBendtrans-105.31.6178.9-580000113.5D140 P141 H145 V146 I147D140-C143 HydrophobicContact CB-CB 4.4Å; D140-C143 PolarHBondContact O-N 3.06Å; D140-C143 PolarHBondContact OD1-N 3.24Å; P141-C143 VanDerWaalsContact C-N 3.34Å; C143-H145 PolarHBondContact O-N 3.42Å; C143-H145 VanDerWaalsContact O-N 3.08Å; C143-V146 WeakPolarHBondContact O-CG2 3.4Å; C143-V146 PolarHBondContact O-N 3.39Å; C143-I147 HydrophobicContact CB-CG1 3.71Å; C143-I147 WeakPolarHBondContact O-CG1 3.32Å; C143-I147 PolarHBondContact O-N 3.18Å
144R95.6Very high96.2Very high186 Ų18665.5 Ų65.570%0.70234%0.342SS*.THydrogen-bonded Turntrans-60.4-20.4-175.7-71.3-179.5179175.83114.9V146R144-V146 VanDerWaalsContact C-N 3.28Å
145H95Very high96.2Very high109 Ų10967.3 Ų67.351%0.50535%0.352SS..THydrogen-bonded Turntrans-76.9-15.7177.462.4-61.7000113D142 C143 D162D142-H145 PolarHBondContact O-CE1 3.21Å; D142-H145 PolarHBondContact O-ND1 2.95Å; C143-H145 PolarHBondContact O-N 3.42Å; C143-H145 VanDerWaalsContact O-N 3.08Å; H145-D162 IonicContact CD2-OD2 3.43Å; H145-D162 IonicContact CE1-OD2 3.72Å; H145-D162 IonicContact NE2-OD2 2.69Å; H145-D162 PolarHBondContact NE2-OD2 3.17Å
146V96.3Very high96.3Very high32 Ų3261.5 Ų61.519%0.19433%0.327CS..THydrogen-bonded Turntrans-126.2-21.7-178.6-680000113.8C143 R144 P148 M149 A159 V165C143-V146 WeakPolarHBondContact O-CG2 3.4Å; C143-V146 PolarHBondContact O-N 3.39Å; R144-V146 VanDerWaalsContact C-N 3.28Å; V146-P148 CarbonylContact O-C 3.58Å; V146-P148 VanDerWaalsContact O-C 3.29Å; V146-M149 WeakPolarHBondContact O-CG 3.38Å; V146-M149 PolarHBondContact O-N 3.19Å; V146-A159 HydrophobicContact CB-CB 3.78Å; V146-A159 HydrophobicContact CG1-CB 3.87Å; V146-A159 HydrophobicContact CG2-CB 4.26Å; V146-V165 HydrophobicContact CG2-CG2 3.69Å
147I96.7Very high96.3Very high23 Ų2360.2 Ų60.212%0.11831%0.314CS..PPolyproline II helixtrans-96.2129.4178.3-56.6-58.9000110.4I133 L137 C143 M149I133-I147 HydrophobicContact CG2-CD1 3.89Å; L137-I147 HydrophobicContact CB-CG1 4.28Å; C143-I147 HydrophobicContact CB-CG1 3.71Å; C143-I147 WeakPolarHBondContact O-CG1 3.32Å; C143-I147 PolarHBondContact O-N 3.18Å; I147-M149 HydrophobicContact CD1-CE 3.73Å; I147-M149 HydrophobicContact CD1-CG 4.29Å; I147-M149 HydrophobicContact CD1-SD 4.49Å
148P97.7Very high96.2Very high109 Ų10967.7 Ų67.771%0.70835%0.346SS*.SBendcis-83.7138.8133.1-34.1000113.5N134 V146N134-P148 VanDerWaalsContact OD1-CA 3.32Å; N134-P148 WeakPolarHBondContact OD1-CA 3.49Å; V146-P148 CarbonylContact O-C 3.58Å; V146-P148 VanDerWaalsContact O-C 3.29Å
149M97.7Very high96.3Very high7 Ų762.7 Ų62.73%0.03432%0.324CS..PPolyproline II helixtrans-81.5148.7170.4-60.4171.8-72.600110.6V130 I133 N134 V146 I147 P151 D155 L156 A159V130-M149 HydrophobicContact CG1-CB 3.81Å; V130-M149 HydrophobicContact CG1-CE 4.4Å; V130-M149 WeakPolarHBondContact CG1-O 3.45Å; V130-M149 HydrophobicContact CG2-CE 4.46Å; I133-M149 HydrophobicContact CB-CE 3.81Å; I133-M149 HydrophobicContact CD1-CE 4.27Å; I133-M149 HydrophobicContact CG2-CE 3.54Å; N134-M149 PolarHBondContact ND2-O 3.03Å; N134-M149 PolarHBondContact OD1-N 3.1Å; V146-M149 WeakPolarHBondContact O-CG 3.38Å; V146-M149 PolarHBondContact O-N 3.19Å; I147-M149 HydrophobicContact CD1-CE 3.73Å; I147-M149 HydrophobicContact CD1-CG 4.29Å; I147-M149 HydrophobicContact CD1-SD 4.49Å; M149-P151 WeakPolarHBondContact O-CD 3.49Å; M149-D155 HydrophobicContact CB-CB 4.02Å; M149-D155 HydrophobicContact CG-CB 4.44Å; M149-L156 HydrophobicContact CE-CD1 4.05Å; M149-L156 HydrophobicContact SD-CD1 3.94Å; M149-A159 HydrophobicContact CG-CB 4.03Å; M149-A159 HydrophobicContact SD-CB 3.39Å; M149-A159 WeakPolarHBondContact SD-CB 3.31Å
150N97.2Very high96.3Very high70 Ų7056.1 Ų56.137%0.37429%0.288SS..PPolyproline II helixtrans-83.4116172.8-177.9-9.3000111.2N152 T153 D155N150-N152 PolarHBondContact O-N 3.22Å; N150-N152 VanDerWaalsContact O-N 3.13Å; N150-N152 PolarHBondContact OD1-N 2.93Å; N150-N152 PolarHBondContact OD1-ND2 3.36Å; N150-T153 HydrophobicContact CB-CG2 4.08Å; N150-T153 WeakPolarHBondContact ND2-CG2 3.16Å; N150-T153 PolarHBondContact O-N 3.41Å; N150-T153 VanDerWaalsContact O-N 3.17Å; N150-T153 PolarHBondContact O-OG1 3.26Å; N150-D155 WeakPolarHBondContact CB-OD2 3.01Å; N150-D155 PolarHBondContact N-OD2 3.35Å
151P95.3Very high96.3Very high19 Ų1955.1 Ų55.112%0.12329%0.285CS..THydrogen-bonded Turntrans-66.5-16.3-175.628.8-37.2000114.2Y127 V130 M149 T153Y127-P151 HydrophobicContact CD2-CB 3.56Å; Y127-P151 HydrophobicContact CD2-CG 4.03Å; Y127-P151 HydrophobicContact CE2-CB 3.79Å; Y127-P151 HydrophobicContact CE2-CG 3.71Å; Y127-P151 HydrophobicContact CG-CB 4.05Å; V130-P151 HydrophobicContact CB-CB 3.85Å; V130-P151 HydrophobicContact CG1-CB 3.65Å; V130-P151 HydrophobicContact CG1-CG 4.38Å; M149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-T153 VanDerWaalsContact C-N 3.31Å
152N93.9Very high96.4Very high114 Ų11452.3 Ų52.361%0.6127%0.266SS*.THydrogen-bonded Turntrans-91.39.4179.2-54.5-73.6000113.3N150N150-N152 PolarHBondContact O-N 3.22Å; N150-N152 VanDerWaalsContact O-N 3.13Å; N150-N152 PolarHBondContact OD1-N 2.93Å; N150-N152 PolarHBondContact OD1-ND2 3.36Å
153T94.3Very high96.4Very high44 Ų4450.5 Ų50.527%0.2726%0.257SS..SBendtrans-132.9177.2-176.368.30000110.7K126 N150 P151 D155K126-T153 WeakPolarHBondContact CE-O 3.43Å; N150-T153 HydrophobicContact CB-CG2 4.08Å; N150-T153 WeakPolarHBondContact ND2-CG2 3.16Å; N150-T153 PolarHBondContact O-N 3.41Å; N150-T153 VanDerWaalsContact O-N 3.17Å; N150-T153 PolarHBondContact O-OG1 3.26Å; P151-T153 VanDerWaalsContact C-N 3.31Å; T153-D155 PolarHBondContact O-N 2.86Å; T153-D155 WeakPolarHBondContact OG1-CB 3.33Å; T153-D155 PolarHBondContact OG1-N 3.01Å; T153-D155 PolarHBondContact OG1-OD1 3.48Å; T153-D155 PolarHBondContact OG1-OD2 2.97Å
154D93.4Very high96.5Very high77 Ų7750.6 Ų50.641%0.41226%0.257SS..THydrogen-bonded Turntrans-85.516.6177.4-63.9-12.2000113Y121 K126 L156 F157 K158Y121-D154 PolarHBondContact OH-OD1 3.38Å; K126-D154 IonicContact NZ-OD1 3.95Å; K126-D154 PolarHBondContact NZ-OD1 2.81Å; D154-L156 PolarHBondContact O-N 2.85Å; D154-F157 HydrophobicContact CB-CD2 3.83Å; D154-F157 HydrophobicContact CB-CE2 4.46Å; D154-F157 PolarHBondContact O-N 3.15Å; D154-F157 VanDerWaalsContact O-N 3.11Å; D154-K158 PolarHBondContact O-N 3.01Å
155D97.5Very high96.7Very high62 Ų6241.7 Ų41.733%0.33222%0.223SC..Hα-helixtrans-52.6-39.4177.9-77.7-6.5000111.7M149 N150 T153 F157 K158 A159M149-D155 HydrophobicContact CB-CB 4.02Å; M149-D155 HydrophobicContact CG-CB 4.44Å; N150-D155 WeakPolarHBondContact CB-OD2 3.01Å; N150-D155 PolarHBondContact N-OD2 3.35Å; T153-D155 PolarHBondContact O-N 2.86Å; T153-D155 WeakPolarHBondContact OG1-CB 3.33Å; T153-D155 PolarHBondContact OG1-N 3.01Å; T153-D155 PolarHBondContact OG1-OD1 3.48Å; T153-D155 PolarHBondContact OG1-OD2 2.97Å; D155-F157 VanDerWaalsContact C-N 3.32Å; D155-F157 PolarHBondContact O-N 3.13Å; D155-K158 PolarHBondContact O-N 3.47Å; D155-A159 WeakPolarHBondContact O-CB 3.33Å; D155-A159 PolarHBondContact O-N 2.83Å
156L97.8Very high96.8Very high0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-53.3-48.9177.6-178.163.2000112.3K126 V130 I133 M149 D154 K158 A159 V160 V227 L228 L231K126-L156 HydrophobicContact CG-CB 4.47Å; K126-L156 HydrophobicContact CG-CD2 4.01Å; V130-L156 HydrophobicContact CG2-CB 3.69Å; V130-L156 HydrophobicContact CG2-CD1 4.04Å; V130-L156 HydrophobicContact CG2-CD2 4.11Å; V130-L156 HydrophobicContact CG2-CG 4.15Å; I133-L156 HydrophobicContact CD1-CD1 3.8Å; M149-L156 HydrophobicContact CE-CD1 4.05Å; M149-L156 HydrophobicContact SD-CD1 3.94Å; D154-L156 PolarHBondContact O-N 2.85Å; L156-K158 VanDerWaalsContact C-N 3.26Å; L156-K158 PolarHBondContact O-N 3.43Å; L156-A159 PolarHBondContact O-N 3.26Å; L156-V160 HydrophobicContact CD1-CG1 4.38Å; L156-V160 PolarHBondContact O-N 3.33Å; L156-V227 HydrophobicContact CG-CG1 4.41Å; L156-L228 HydrophobicContact CD2-CD2 3.61Å; L156-L231 HydrophobicContact CD1-CD1 3.84Å; L156-L231 HydrophobicContact CD2-CD1 3.99Å; L156-L231 HydrophobicContact CG-CD1 4.21Å
157F96.1Very high96.9Very high12 Ų1235 Ų355%0.05319%0.19CC..Hα-helixtrans-68.4-29.1-174.3-56.3-47.4000112.2Y121 K126 D154 D155 G222 P224 V227 L228Y121-F157 HydrophobicContact CD2-CE2 4.43Å; Y121-F157 AromaticContact CD2-CZ 3.87Å; Y121-F157 HydrophobicContact CD2-CZ 3.87Å; Y121-F157 HydrophobicContact CE1-CE2 4.03Å; Y121-F157 HydrophobicContact CE1-CZ 4.28Å; Y121-F157 AromaticContact CE2-CE2 3.8Å; Y121-F157 HydrophobicContact CE2-CE2 3.8Å; Y121-F157 AromaticContact CE2-CZ 3.64Å; Y121-F157 HydrophobicContact CE2-CZ 3.64Å; Y121-F157 HydrophobicContact CG-CZ 4.32Å; Y121-F157 AromaticContact CZ-CE2 3.59Å; Y121-F157 AromaticContact CZ-CZ 3.88Å; K126-F157 HydrophobicContact CD-CE2 3.66Å; K126-F157 HydrophobicContact CD-CZ 3.71Å; K126-F157 HydrophobicContact CG-CZ 4.14Å; D154-F157 HydrophobicContact CB-CD2 3.83Å; D154-F157 HydrophobicContact CB-CE2 4.46Å; D154-F157 PolarHBondContact O-N 3.15Å; D154-F157 VanDerWaalsContact O-N 3.11Å; D155-F157 VanDerWaalsContact C-N 3.32Å; D155-F157 PolarHBondContact O-N 3.13Å; F157-G222 WeakPolarHBondContact CB-O 3.36Å; F157-G222 VanDerWaalsContact O-CA 3.28Å; F157-G222 WeakPolarHBondContact O-CA 3.35Å; F157-P224 HydrophobicContact CD1-CB 4.14Å; F157-P224 HydrophobicContact CD1-CG 4.39Å; F157-P224 HydrophobicContact CD2-CB 4.41Å; F157-P224 HydrophobicContact CD2-CG 4.1Å; F157-P224 VanDerWaalsContact CE1-CA 3.46Å; F157-P224 HydrophobicContact CE1-CB 3.65Å; F157-P224 HydrophobicContact CE1-CG 4.3Å; F157-P224 HydrophobicContact CE2-CB 3.94Å; F157-P224 HydrophobicContact CE2-CG 4Å; F157-P224 HydrophobicContact CG-CG 4.32Å; F157-P224 HydrophobicContact CZ-CB 3.54Å; F157-P224 HydrophobicContact CZ-CG 4.12Å; F157-V227 HydrophobicContact CD1-CB 3.98Å; F157-V227 HydrophobicContact CD1-CG1 3.91Å; F157-V227 HydrophobicContact CD1-CG2 4.36Å; F157-V227 HydrophobicContact CE1-CB 4.32Å; F157-V227 HydrophobicContact CE1-CG1 4.28Å; F157-L228 HydrophobicContact CE1-CD2 4.17Å; F157-L228 HydrophobicContact CE1-CG 4.02Å; F157-L228 HydrophobicContact CZ-CD1 4.45Å; F157-L228 HydrophobicContact CZ-CG 4.41Å
158K96.5Very high97Very high163 Ų16334.3 Ų34.371%0.70919%0.186SC*.Hα-helixtrans-79.3-41172.8-63.1173.6-174.7167.30111.6D154 D155 L156 V160 G161D154-K158 PolarHBondContact O-N 3.01Å; D155-K158 PolarHBondContact O-N 3.47Å; L156-K158 VanDerWaalsContact C-N 3.26Å; L156-K158 PolarHBondContact O-N 3.43Å; K158-V160 VanDerWaalsContact C-N 3.32Å; K158-V160 PolarHBondContact O-N 3.37Å; K158-G161 PolarHBondContact O-N 3.02Å; K158-G161 VanDerWaalsContact O-N 3.08Å
159A97.6Very high97.1Very high5 Ų529.2 Ų29.24%0.04115%0.153CC..Hα-helixtrans-65.8-30.6-174.700000113.6V146 M149 D155 L156 G161V146-A159 HydrophobicContact CB-CB 3.78Å; V146-A159 HydrophobicContact CG1-CB 3.87Å; V146-A159 HydrophobicContact CG2-CB 4.26Å; M149-A159 HydrophobicContact CG-CB 4.03Å; M149-A159 HydrophobicContact SD-CB 3.39Å; M149-A159 WeakPolarHBondContact SD-CB 3.31Å; D155-A159 WeakPolarHBondContact O-CB 3.33Å; D155-A159 PolarHBondContact O-N 2.83Å; L156-A159 PolarHBondContact O-N 3.26Å; A159-G161 VanDerWaalsContact C-N 3.31Å
160V97.7Very high97.1Very high0 Ų028.9 Ų28.90%015%0.152CC..THydrogen-bonded Turntrans-79.5-13.5175-60.90000113.4L156 K158 D162 G163 V165 L166 V227 L231L156-V160 HydrophobicContact CD1-CG1 4.38Å; L156-V160 PolarHBondContact O-N 3.33Å; K158-V160 VanDerWaalsContact C-N 3.32Å; K158-V160 PolarHBondContact O-N 3.37Å; V160-D162 PolarHBondContact O-N 3.26Å; V160-D162 VanDerWaalsContact O-N 3.15Å; V160-G163 PolarHBondContact O-N 2.81Å; V160-V165 HydrophobicContact CG1-CG1 4.43Å; V160-L166 HydrophobicContact CB-CD1 4.28Å; V160-L166 HydrophobicContact CB-CD2 4.45Å; V160-L166 HydrophobicContact CB-CG 4.12Å; V160-L166 HydrophobicContact CG1-CD2 4.23Å; V160-L166 HydrophobicContact CG1-CG 4.3Å; V160-V227 HydrophobicContact CG1-CG1 4.16Å; V160-V227 HydrophobicContact CG2-CB 4.4Å; V160-V227 HydrophobicContact CG2-CG1 3.74Å; V160-V227 HydrophobicContact CG2-CG2 3.7Å; V160-L231 HydrophobicContact CG1-CD1 4.46Å
161G97.2Very high97.2Very high10 Ų1026.8 Ų26.810%0.10314%0.14CC..THydrogen-bonded Turntrans-66.8-16.8-168.900000115K158 A159 I193K158-G161 PolarHBondContact O-N 3.02Å; K158-G161 VanDerWaalsContact O-N 3.08Å; A159-G161 VanDerWaalsContact C-N 3.31Å; G161-I193 WeakPolarHBondContact O-CG2 3.44Å
162D96.9Very high97.3Very high19 Ų1930.1 Ų30.110%0.10216%0.157CC..THydrogen-bonded Turntrans-93.5-4.9173.269.515.8000114.4H145 V160 I164 L188 I193 N196H145-D162 IonicContact CD2-OD2 3.43Å; H145-D162 IonicContact CE1-OD2 3.72Å; H145-D162 IonicContact NE2-OD2 2.69Å; H145-D162 PolarHBondContact NE2-OD2 3.17Å; V160-D162 PolarHBondContact O-N 3.26Å; V160-D162 VanDerWaalsContact O-N 3.15Å; D162-I164 VanDerWaalsContact C-N 3.28Å; D162-I164 PolarHBondContact O-N 3.44Å; D162-I164 WeakPolarHBondContact OD1-CB 3.43Å; D162-I164 PolarHBondContact OD1-N 3.46Å; D162-L188 HydrophobicContact CB-CD1 3.99Å; D162-I193 HydrophobicContact CB-CG1 4.4Å; D162-N196 WeakPolarHBondContact O-CB 3.29Å; D162-N196 PolarHBondContact O-ND2 3.06Å; D162-N196 VanDerWaalsContact O-ND2 3.08Å
163G98.2Very high97.4Very high0 Ų025.3 Ų25.30%013%0.132CC..SBendtrans76.7-6.1-179.600000116.3V160 C167V160-G163 PolarHBondContact O-N 2.81Å; G163-C167 PolarHBondContact O-N 3.48Å; G163-C167 VanDerWaalsContact O-N 3.09Å; G163-C167 PolarHBondContact O-SG 3.32Å
164I98.4Very high97.6Very high1 Ų125.4 Ų25.41%0.00513%0.132CC..Hα-helixtrans-68.3-51.2-175.3-63175.6000110.5D142 D162 L166 C167 K168 I183 L188D142-I164 HydrophobicContact CB-CG2 4.23Å; D162-I164 VanDerWaalsContact C-N 3.28Å; D162-I164 PolarHBondContact O-N 3.44Å; D162-I164 WeakPolarHBondContact OD1-CB 3.43Å; D162-I164 PolarHBondContact OD1-N 3.46Å; I164-L166 VanDerWaalsContact C-N 3.25Å; I164-L166 PolarHBondContact O-N 3.49Å; I164-C167 PolarHBondContact O-N 3.16Å; I164-C167 VanDerWaalsContact O-N 3.17Å; I164-K168 HydrophobicContact CG2-CG 4.31Å; I164-K168 WeakPolarHBondContact O-CG 3.32Å; I164-K168 PolarHBondContact O-N 3.39Å; I164-I183 HydrophobicContact CG1-CG2 4.34Å; I164-L188 HydrophobicContact CD1-CD1 4Å
165V98.6Very high97.7Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-56.1-42.1179.1174.50000111I133 L137 V146 V160 K168 M169I133-V165 HydrophobicContact CG2-CG1 3.86Å; L137-V165 HydrophobicContact CD1-CG1 4.16Å; V146-V165 HydrophobicContact CG2-CG2 3.69Å; V160-V165 HydrophobicContact CG1-CG1 4.43Å; V165-K168 PolarHBondContact O-N 2.82Å; V165-M169 HydrophobicContact CG1-CG 4.3Å; V165-M169 WeakPolarHBondContact O-CB 3.48Å; V165-M169 VanDerWaalsContact O-CG 3.3Å; V165-M169 WeakPolarHBondContact O-CG 3.46Å; V165-M169 PolarHBondContact O-N 2.99Å
166L98.7Very high97.6Very high1 Ų128.8 Ų28.81%0.00516%0.156CC..Hα-helixtrans-63.5-47.7178.3-66.6172.7000111.9V160 I164 K168 M169 I170 L197 A200 L219 L230 L231 I234V160-L166 HydrophobicContact CB-CD1 4.28Å; V160-L166 HydrophobicContact CB-CD2 4.45Å; V160-L166 HydrophobicContact CB-CG 4.12Å; V160-L166 HydrophobicContact CG1-CD2 4.23Å; V160-L166 HydrophobicContact CG1-CG 4.3Å; I164-L166 VanDerWaalsContact C-N 3.25Å; I164-L166 PolarHBondContact O-N 3.49Å; L166-K168 VanDerWaalsContact C-N 3.29Å; L166-K168 PolarHBondContact O-N 2.91Å; L166-M169 PolarHBondContact O-N 3.23Å; L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 VanDerWaalsContact O-CG1 3.3Å; L166-I170 WeakPolarHBondContact O-CG1 3.5Å; L166-I170 PolarHBondContact O-N 2.86Å; L166-L197 HydrophobicContact CD1-CD2 4.27Å; L166-A200 HydrophobicContact CB-CB 3.8Å; L166-A200 HydrophobicContact CD1-CB 4.42Å; L166-L219 HydrophobicContact CD1-CD1 3.8Å; L166-L230 HydrophobicContact CD1-CD2 4.32Å; L166-L230 HydrophobicContact CD2-CD2 4.2Å; L166-L231 HydrophobicContact CD2-CD2 3.8Å; L166-L231 HydrophobicContact CD2-CG 4.31Å; L166-I234 HydrophobicContact CD2-CD1 4.47Å
167C98.8Very high97.6Very high0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-57.7-42.4176.2-72.10000111.9G163 I164 I170 N171 I178 I183G163-C167 PolarHBondContact O-N 3.48Å; G163-C167 VanDerWaalsContact O-N 3.09Å; G163-C167 PolarHBondContact O-SG 3.32Å; I164-C167 PolarHBondContact O-N 3.16Å; I164-C167 VanDerWaalsContact O-N 3.17Å; C167-I170 PolarHBondContact O-N 3.34Å; C167-N171 PolarHBondContact O-N 3.23Å; C167-N171 VanDerWaalsContact O-N 3.13Å; C167-I178 HydrophobicContact CB-CD1 3.8Å; C167-I183 HydrophobicContact CB-CD1 3.77Å; C167-I183 HydrophobicContact CB-CG1 4.15Å
168K98.6Very high97.7Very high8 Ų829.2 Ų29.24%0.03516%0.159CC..Hα-helixtrans-67.7-42.6178.9-64.4-64.2-169.31580112.4L137 D140 D142 I164 V165 L166 I170 N171 L172 E180L137-K168 HydrophobicContact CD1-CB 4.04Å; L137-K168 HydrophobicContact CD2-CB 3.77Å; D140-K168 IonicContact OD1-NZ 3.82Å; D140-K168 WeakPolarHBondContact OD2-CD 3.45Å; D140-K168 VanDerWaalsContact OD2-CE 3.32Å; D140-K168 WeakPolarHBondContact OD2-CE 3.44Å; D140-K168 IonicContact OD2-NZ 3.68Å; D140-K168 PolarHBondContact OD2-NZ 3.38Å; D142-K168 WeakPolarHBondContact OD2-CE 3.27Å; D142-K168 IonicContact OD2-NZ 3.91Å; D142-K168 PolarHBondContact OD2-NZ 3Å; I164-K168 HydrophobicContact CG2-CG 4.31Å; I164-K168 WeakPolarHBondContact O-CG 3.32Å; I164-K168 PolarHBondContact O-N 3.39Å; V165-K168 PolarHBondContact O-N 2.82Å; L166-K168 VanDerWaalsContact C-N 3.29Å; L166-K168 PolarHBondContact O-N 2.91Å; K168-I170 VanDerWaalsContact C-N 3.3Å; K168-I170 PolarHBondContact O-N 3.24Å; K168-N171 PolarHBondContact O-N 3.08Å; K168-L172 WeakPolarHBondContact O-CG 3.08Å; K168-L172 PolarHBondContact O-N 2.8Å; K168-E180 VanDerWaalsContact NZ-CD 3.27Å; K168-E180 IonicContact NZ-OE1 2.88Å; K168-E180 PolarHBondContact NZ-OE1 3.36Å; K168-E180 VanDerWaalsContact NZ-OE1 3.11Å; K168-E180 IonicContact NZ-OE2 3.59Å; K168-E180 PolarHBondContact NZ-OE2 3.46Å
169M98.5Very high97.8Very high1 Ų122.3 Ų22.31%0.00513%0.13CC..Hα-helixtrans-63.3-35175.6-72.9-55.3-57.300112.6I133 L137 V165 L166 L172 S173 I234 I235I133-M169 HydrophobicContact CB-SD 4.45Å; I133-M169 HydrophobicContact CG1-CE 4.25Å; I133-M169 HydrophobicContact CG1-CG 4.27Å; I133-M169 HydrophobicContact CG1-SD 3.88Å; I133-M169 HydrophobicContact CG2-SD 4.34Å; L137-M169 HydrophobicContact CD1-CG 4.36Å; L137-M169 HydrophobicContact CD1-SD 4.13Å; L137-M169 HydrophobicContact CG-SD 4.26Å; V165-M169 HydrophobicContact CG1-CG 4.3Å; V165-M169 WeakPolarHBondContact O-CB 3.48Å; V165-M169 VanDerWaalsContact O-CG 3.3Å; V165-M169 WeakPolarHBondContact O-CG 3.46Å; V165-M169 PolarHBondContact O-N 2.99Å; L166-M169 PolarHBondContact O-N 3.23Å; M169-L172 HydrophobicContact CE-CD1 4.42Å; M169-L172 PolarHBondContact O-N 3Å; M169-L172 HydrophobicContact SD-CD1 3.69Å; M169-S173 WeakPolarHBondContact O-CB 3.39Å; M169-S173 PolarHBondContact O-N 3.45Å; M169-S173 PolarHBondContact O-OG 3.23Å; M169-I234 HydrophobicContact CB-CG2 4.01Å; M169-I234 WeakPolarHBondContact O-CG2 3.34Å; M169-I235 HydrophobicContact CE-CG1 3.93Å
170I98.7Very high97.8Very high1 Ų125.3 Ų25.31%0.00514%0.143CC..Hα-helixtrans-62.9-48.8172.8-71162000110.5L166 C167 K168 L172 S173 V174 T177 I178 A200 A204 I207 I234L166-I170 WeakPolarHBondContact O-CD1 3.47Å; L166-I170 VanDerWaalsContact O-CG1 3.3Å; L166-I170 WeakPolarHBondContact O-CG1 3.5Å; L166-I170 PolarHBondContact O-N 2.86Å; C167-I170 PolarHBondContact O-N 3.34Å; K168-I170 VanDerWaalsContact C-N 3.3Å; K168-I170 PolarHBondContact O-N 3.24Å; I170-L172 VanDerWaalsContact C-N 3.3Å; I170-L172 PolarHBondContact O-N 2.96Å; I170-S173 PolarHBondContact O-N 2.74Å; I170-S173 VanDerWaalsContact O-N 3.13Å; I170-V174 PolarHBondContact O-N 3.06Å; I170-T177 HydrophobicContact CG2-CG2 3.66Å; I170-I178 HydrophobicContact CB-CD1 4.1Å; I170-I178 HydrophobicContact CD1-CD1 4.1Å; I170-I178 HydrophobicContact CG2-CD1 3.95Å; I170-I178 HydrophobicContact CG2-CG1 4.26Å; I170-A200 HydrophobicContact CD1-CB 4.27Å; I170-A200 WeakPolarHBondContact CD1-O 3.46Å; I170-A204 HydrophobicContact CD1-CB 4.02Å; I170-I207 HydrophobicContact CG2-CD1 4.31Å; I170-I234 HydrophobicContact CD1-CD1 4.34Å; I170-I234 HydrophobicContact CG1-CD1 3.84Å; I170-I234 HydrophobicContact CG1-CG1 4.13Å; I170-I234 HydrophobicContact CG1-CG2 4.32Å
171N98.3Very high97.8Very high26 Ų2629.1 Ų29.114%0.13916%0.158CC..Hα-helixtrans-64.7-31.6177.1-83.9-9.5000113.4C167 K168 S173 V174 P175 T177 I178 E180C167-N171 PolarHBondContact O-N 3.23Å; C167-N171 VanDerWaalsContact O-N 3.13Å; K168-N171 PolarHBondContact O-N 3.08Å; N171-S173 VanDerWaalsContact C-N 3.35Å; N171-V174 CarbonylContact O-C 3.35Å; N171-P175 VanDerWaalsContact O-CA 3.25Å; N171-P175 WeakPolarHBondContact O-CA 3.5Å; N171-T177 PolarHBondContact OD1-N 3.24Å; N171-I178 PolarHBondContact ND2-O 3.39Å; N171-I178 WeakPolarHBondContact OD1-CB 3.37Å; N171-I178 PolarHBondContact OD1-N 2.83Å; N171-I178 PolarHBondContact OD1-O 3.46Å; N171-E180 PolarHBondContact ND2-OE1 3.3Å
172L97.5Very high97.8Very high89 Ų8928.7 Ų28.747%0.46615%0.153SC..Hα-helixtrans-67.2-37.1172-77.1173.3000112.3A136 L137 K168 M169 I170A136-L172 HydrophobicContact CB-CD1 3.72Å; L137-L172 HydrophobicContact CD2-CD1 3.44Å; L137-L172 VanDerWaalsContact CD2-CD1 3.44Å; L137-L172 HydrophobicContact CD2-CG 4.27Å; L137-L172 HydrophobicContact CG-CD1 4.06Å; K168-L172 WeakPolarHBondContact O-CG 3.08Å; K168-L172 PolarHBondContact O-N 2.8Å; M169-L172 HydrophobicContact CE-CD1 4.42Å; M169-L172 PolarHBondContact O-N 3Å; M169-L172 HydrophobicContact SD-CD1 3.69Å; I170-L172 VanDerWaalsContact C-N 3.3Å; I170-L172 PolarHBondContact O-N 2.96Å
173S97.3Very high97.8Very high12 Ų1228.1 Ų28.18%0.08415%0.15CC..Hα-helixtrans-80.9-38.7-176.8-53.40000111.9M169 I170 N171 I234M169-S173 WeakPolarHBondContact O-CB 3.39Å; M169-S173 PolarHBondContact O-N 3.45Å; M169-S173 PolarHBondContact O-OG 3.23Å; I170-S173 PolarHBondContact O-N 2.74Å; I170-S173 VanDerWaalsContact O-N 3.13Å; N171-S173 VanDerWaalsContact C-N 3.35Å; S173-I234 WeakPolarHBondContact CB-O 3.39Å; S173-I234 VanDerWaalsContact OG-CG2 3.26Å; S173-I234 WeakPolarHBondContact OG-CG2 3.36Å; S173-I234 PolarHBondContact OG-O 2.97Å
174V96.6Very high97.7Very high47 Ų4729.9 Ų29.929%0.28516%0.159SC..SBendtrans-136.7101173.7-176.20000108.2I170 N171 T177 I207 I237I170-V174 PolarHBondContact O-N 3.06Å; N171-V174 CarbonylContact O-C 3.35Å; V174-T177 WeakPolarHBondContact CB-OG1 3.21Å; V174-T177 VanDerWaalsContact CG1-OG1 3.28Å; V174-T177 WeakPolarHBondContact CG1-OG1 3.31Å; V174-T177 WeakPolarHBondContact O-CB 3.39Å; V174-T177 PolarHBondContact O-N 3.16Å; V174-T177 PolarHBondContact O-OG1 3.24Å; V174-I207 HydrophobicContact CB-CG2 3.92Å; V174-I207 HydrophobicContact CG1-CG2 4.2Å; V174-I207 HydrophobicContact CG2-CB 4.06Å; V174-I207 HydrophobicContact CG2-CD1 4.25Å; V174-I207 HydrophobicContact CG2-CG2 3.89Å; V174-I237 HydrophobicContact CG2-CG2 3.74Å
175P96.1Very high97.6Very high98 Ų9833.1 Ų33.164%0.63617%0.173SC*.THydrogen-bonded Turntrans-52.6148-179.3-29.136.2000113.2N171 T177N171-P175 VanDerWaalsContact O-CA 3.25Å; N171-P175 WeakPolarHBondContact O-CA 3.5Å; P175-T177 PolarHBondContact O-N 2.68Å; P175-T177 VanDerWaalsContact O-N 3.07Å
176D95.3Very high97.2Very high111 Ų11141.6 Ų41.659%0.59421%0.21SC*.THydrogen-bonded Turntrans60.911.5176.9-72.3-45.2000116.2I178 K587D176-I178 PolarHBondContact O-N 3.05Å; D176-K587 IonicContact OD1-NZ 3.52Å; D176-K587 PolarHBondContact OD1-NZ 3.03Å; D176-K587 IonicContact OD2-NZ 3.7Å; D176-K587 PolarHBondContact OD2-NZ 2.66Å
177T98Very high96.8Very high20 Ų2050.7 Ų50.712%0.12325%0.25CC..SBendtrans-63-42.5176.8-63.30000112I170 N171 V174 P175 I207 R594I170-T177 HydrophobicContact CG2-CG2 3.66Å; N171-T177 PolarHBondContact OD1-N 3.24Å; V174-T177 WeakPolarHBondContact CB-OG1 3.21Å; V174-T177 VanDerWaalsContact CG1-OG1 3.28Å; V174-T177 WeakPolarHBondContact CG1-OG1 3.31Å; V174-T177 WeakPolarHBondContact O-CB 3.39Å; V174-T177 PolarHBondContact O-N 3.16Å; V174-T177 PolarHBondContact O-OG1 3.24Å; P175-T177 PolarHBondContact O-N 2.68Å; P175-T177 VanDerWaalsContact O-N 3.07Å; T177-I207 HydrophobicContact CG2-CG2 3.61Å; T177-R594 PolarHBondContact O-NH1 3.2Å
178I98.6Very high96.5Very high2 Ų253.3 Ų53.31%0.0126%0.263CS..SBendtrans-115.8124.1179-62.2172.3000108.5C167 I170 N171 D176 E180 I183 L199 S203C167-I178 HydrophobicContact CB-CD1 3.8Å; I170-I178 HydrophobicContact CB-CD1 4.1Å; I170-I178 HydrophobicContact CD1-CD1 4.1Å; I170-I178 HydrophobicContact CG2-CD1 3.95Å; I170-I178 HydrophobicContact CG2-CG1 4.26Å; N171-I178 PolarHBondContact ND2-O 3.39Å; N171-I178 WeakPolarHBondContact OD1-CB 3.37Å; N171-I178 PolarHBondContact OD1-N 2.83Å; N171-I178 PolarHBondContact OD1-O 3.46Å; D176-I178 PolarHBondContact O-N 3.05Å; I178-E180 PolarHBondContact O-N 2.91Å; I178-I183 HydrophobicContact CG2-CD1 4.01Å; I178-I183 HydrophobicContact CG2-CG1 3.77Å; I178-L199 HydrophobicContact CD1-CG 4.36Å; I178-L199 HydrophobicContact CG1-CD1 4.42Å; I178-L199 HydrophobicContact CG2-CD1 4.08Å; I178-L199 HydrophobicContact CG2-CD2 3.74Å; I178-L199 HydrophobicContact CG2-CG 4.05Å; I178-S203 VanDerWaalsContact CG1-OG 3.31Å; I178-S203 WeakPolarHBondContact CG1-OG 3.38Å
179D98.2Very high96.3Very high18 Ų1856.1 Ų56.110%0.09628%0.281CS..  trans-66121.8169.3-165.9-49.4000110.1R181 A182 K587 Y588 S591D179-R181 PolarHBondContact O-N 2.85Å; D179-R181 WeakPolarHBondContact OD1-CB 3.29Å; D179-R181 WeakPolarHBondContact OD1-CG 3.35Å; D179-R181 IonicContact OD1-CZ 2.89Å; D179-R181 PolarHBondContact OD1-N 2.71Å; D179-R181 IonicContact OD1-NE 2.72Å; D179-R181 PolarHBondContact OD1-NE 3.25Å; D179-R181 IonicContact OD1-NH2 2.57Å; D179-R181 IonicContact OD2-CZ 2.91Å; D179-R181 IonicContact OD2-NE 2.88Å; D179-R181 PolarHBondContact OD2-NE 3.02Å; D179-R181 IonicContact OD2-NH2 3.98Å; D179-R181 PolarHBondContact OD2-NH2 3.43Å; D179-A182 WeakPolarHBondContact O-CB 3.29Å; D179-A182 PolarHBondContact O-N 3.36Å; D179-K587 HydrophobicContact CB-CB 4.47Å; D179-K587 WeakPolarHBondContact OD2-CB 3.43Å; D179-Y588 PolarHBondContact OD2-N 3.44Å; D179-S591 WeakPolarHBondContact CB-OG 3.45Å; D179-S591 PolarHBondContact N-OG 3.48Å
180E97.6Very high96.1Very high67 Ų6760.4 Ų60.431%0.31331%0.309SS..THydrogen-bonded Turntrans-54.4-25.4179.7-79.7-68.7140.600113.6K168 N171 I178 A182 K185K168-E180 VanDerWaalsContact NZ-CD 3.27Å; K168-E180 IonicContact NZ-OE1 2.88Å; K168-E180 PolarHBondContact NZ-OE1 3.36Å; K168-E180 VanDerWaalsContact NZ-OE1 3.11Å; K168-E180 IonicContact NZ-OE2 3.59Å; K168-E180 PolarHBondContact NZ-OE2 3.46Å; N171-E180 PolarHBondContact ND2-OE1 3.3Å; I178-E180 PolarHBondContact O-N 2.91Å; E180-A182 VanDerWaalsContact C-N 3.3Å; E180-K185 WeakPolarHBondContact O-CE 3.48Å; E180-K185 IonicContact OE2-NZ 3.09Å; E180-K185 PolarHBondContact OE2-NZ 2.88Å
181R96.9Very high95.8Very high81 Ų8166.1 Ų66.131%0.30633%0.334SS..THydrogen-bonded Turntrans-74.2-19.8176.9-61.7174.3-68.9171.7-3.7113.4D179 L571 N584 Y588D179-R181 PolarHBondContact O-N 2.85Å; D179-R181 WeakPolarHBondContact OD1-CB 3.29Å; D179-R181 WeakPolarHBondContact OD1-CG 3.35Å; D179-R181 IonicContact OD1-CZ 2.89Å; D179-R181 PolarHBondContact OD1-N 2.71Å; D179-R181 IonicContact OD1-NE 2.72Å; D179-R181 PolarHBondContact OD1-NE 3.25Å; D179-R181 IonicContact OD1-NH2 2.57Å; D179-R181 IonicContact OD2-CZ 2.91Å; D179-R181 IonicContact OD2-NE 2.88Å; D179-R181 PolarHBondContact OD2-NE 3.02Å; D179-R181 IonicContact OD2-NH2 3.98Å; D179-R181 PolarHBondContact OD2-NH2 3.43Å; R181-L571 HydrophobicContact CB-CD1 4Å; R181-L571 HydrophobicContact CG-CD1 4.41Å; R181-L571 PolarHBondContact NH1-O 3.17Å; R181-L571 VanDerWaalsContact NH1-O 3.17Å; R181-N584 PolarHBondContact NH2-O 2.88Å; R181-Y588 HydrophobicContact CB-CD2 4.07Å; R181-Y588 HydrophobicContact CB-CE2 4.15Å
182A97.4Very high95.6Very high0 Ų066.7 Ų66.70%034%0.337CS..THydrogen-bonded Turntrans-84.4-17.4178.200000112.7D179 E180 L199 M592 R595D179-A182 WeakPolarHBondContact O-CB 3.29Å; D179-A182 PolarHBondContact O-N 3.36Å; E180-A182 VanDerWaalsContact C-N 3.3Å; A182-L199 HydrophobicContact CB-CD2 4.14Å; A182-M592 HydrophobicContact CB-SD 4.33Å; A182-R595 VanDerWaalsContact O-CD 3.22Å; A182-R595 WeakPolarHBondContact O-CD 3.47Å; A182-R595 PolarHBondContact O-NH1 2.71Å
183I98Very high95.6Very high8 Ų863.9 Ų63.94%0.04132%0.322CS..SBendtrans-78.3121.1178.6-52.1173.1000109.3I164 C167 I178 K185 L199I164-I183 HydrophobicContact CG1-CG2 4.34Å; C167-I183 HydrophobicContact CB-CD1 3.77Å; C167-I183 HydrophobicContact CB-CG1 4.15Å; I178-I183 HydrophobicContact CG2-CD1 4.01Å; I178-I183 HydrophobicContact CG2-CG1 3.77Å; I183-K185 HydrophobicContact CG2-CG 4.18Å; I183-K185 PolarHBondContact O-N 3.31Å; I183-L199 HydrophobicContact CG1-CD2 4.03Å
184N96.7Very high95.6Very high37 Ų3765.2 Ų65.220%0.19833%0.327CS..  trans-77.8117.9173.3-65.6-49.9000109.4L188 I192 E195 N196N184-L188 HydrophobicContact CB-CD2 4.41Å; N184-L188 WeakPolarHBondContact O-CD2 3.26Å; N184-I192 HydrophobicContact CB-CG2 3.38Å; N184-E195 PolarHBondContact ND2-OE2 3.37Å; N184-N196 WeakPolarHBondContact CB-OD1 3.4Å; N184-N196 PolarHBondContact N-OD1 3.43Å; N184-N196 PolarHBondContact O-ND2 2.95Å
185K94.9Very high95.6Very high68 Ų6863.7 Ų63.730%0.29632%0.317SS..  trans-109.3-12.4-171-65.1160.9-179.8-1570114.4D142 E180 I183D142-K185 HydrophobicContact CB-CD 4.44Å; D142-K185 HydrophobicContact CB-CG 4.38Å; D142-K185 WeakPolarHBondContact OD1-CD 3.44Å; D142-K185 IonicContact OD1-NZ 2.64Å; D142-K185 WeakPolarHBondContact OD2-CE 3.44Å; D142-K185 IonicContact OD2-NZ 2.66Å; D142-K185 PolarHBondContact OD2-NZ 2.9Å; E180-K185 WeakPolarHBondContact O-CE 3.48Å; E180-K185 IonicContact OE2-NZ 3.09Å; E180-K185 PolarHBondContact OE2-NZ 2.88Å; I183-K185 HydrophobicContact CG2-CG 4.18Å; I183-K185 PolarHBondContact O-N 3.31Å
186K90.7Very high95.7Very high179 Ų17959 Ų5978%0.77829%0.286SS*.SBendtrans-138.1153.6-173.3-63.9-177.1-178.3177.30110.8
187K89.3Confident95.8Very high191 Ų19153.8 Ų53.883%0.8326%0.258SS*.SBendtrans52.952.9178-59.9-178.9178.9179.30112.3T189 I192K187-T189 PolarHBondContact O-N 3.44Å; K187-I192 VanDerWaalsContact O-CD1 3.31Å; K187-I192 WeakPolarHBondContact O-CD1 3.4Å
188L92.6Very high95.8Very high55 Ų5554.7 Ų54.729%0.28826%0.263SS..  trans-72.887.2-173.5-58.9174.4000111.4D162 I164 N184 I192 I193D162-L188 HydrophobicContact CB-CD1 3.99Å; I164-L188 HydrophobicContact CD1-CD1 4Å; N184-L188 HydrophobicContact CB-CD2 4.41Å; N184-L188 WeakPolarHBondContact O-CD2 3.26Å; L188-I192 HydrophobicContact CD2-CG2 3.76Å; L188-I193 HydrophobicContact CB-CD1 4.23Å; L188-I193 HydrophobicContact CB-CG1 3.92Å
189T94.7Very high95.8Very high68 Ų6854.6 Ų54.642%0.41726%0.262SS..  trans-74.5162.8168.367.20000110.3K187 F191 I192 I193K187-T189 PolarHBondContact O-N 3.44Å; T189-F191 PolarHBondContact O-N 3.41Å; T189-F191 VanDerWaalsContact O-N 3.13Å; T189-I192 HydrophobicContact CG2-CD1 4.37Å; T189-I192 PolarHBondContact O-N 2.67Å; T189-I192 WeakPolarHBondContact OG1-CG1 3.19Å; T189-I192 PolarHBondContact OG1-N 2.86Å; T189-I193 WeakPolarHBondContact O-CG1 3.44Å; T189-I193 PolarHBondContact O-N 3.47Å
190P93.9Very high95.8Very high90 Ų9053.8 Ų53.858%0.58426%0.258SS*.Hα-helixtrans-53-36.2177.3-29.236.3000113.9Q194P190-Q194 WeakPolarHBondContact O-CB 3.33Å; P190-Q194 PolarHBondContact O-N 3.03Å
191F92.7Very high95.8Very high121 Ų12151.2 Ų51.253%0.53125%0.246SC..Hα-helixtrans-67.8-42.8175.7-178.4-94.2000112.5T189 Q194 E195T189-F191 PolarHBondContact O-N 3.41Å; T189-F191 VanDerWaalsContact O-N 3.13Å; F191-Q194 WeakPolarHBondContact O-CB 3.29Å; F191-Q194 PolarHBondContact O-N 2.83Å; F191-E195 HydrophobicContact CE1-CG 4.17Å; F191-E195 WeakPolarHBondContact CE1-OE1 3.04Å; F191-E195 PolarHBondContact O-N 3.28Å
192I94.7Very high95.8Very high39 Ų3948.1 Ų48.120%0.224%0.236CC..Hα-helixtrans-68.2-37.4178.5-71.9171.4000111.3N184 K187 L188 T189 Q194 E195 N196N184-I192 HydrophobicContact CB-CG2 3.38Å; K187-I192 VanDerWaalsContact O-CD1 3.31Å; K187-I192 WeakPolarHBondContact O-CD1 3.4Å; L188-I192 HydrophobicContact CD2-CG2 3.76Å; T189-I192 HydrophobicContact CG2-CD1 4.37Å; T189-I192 PolarHBondContact O-N 2.67Å; T189-I192 WeakPolarHBondContact OG1-CG1 3.19Å; T189-I192 PolarHBondContact OG1-N 2.86Å; I192-Q194 VanDerWaalsContact C-N 3.34Å; I192-E195 WeakPolarHBondContact O-CB 3.32Å; I192-E195 PolarHBondContact O-N 3.37Å; I192-N196 PolarHBondContact O-N 2.89Å; I192-N196 VanDerWaalsContact O-N 3.12Å
193I97.5Very high95.9Very high30 Ų3048.1 Ų48.115%0.15424%0.236CC..Hα-helixtrans-60.8-46.6172.8-72.1170.3000110.1G161 D162 L188 T189 E195 N196 L197 R220G161-I193 WeakPolarHBondContact O-CG2 3.44Å; D162-I193 HydrophobicContact CB-CG1 4.4Å; L188-I193 HydrophobicContact CB-CD1 4.23Å; L188-I193 HydrophobicContact CB-CG1 3.92Å; T189-I193 WeakPolarHBondContact O-CG1 3.44Å; T189-I193 PolarHBondContact O-N 3.47Å; I193-E195 VanDerWaalsContact C-N 3.26Å; I193-E195 PolarHBondContact O-N 3.06Å; I193-N196 PolarHBondContact O-N 3.22Å; I193-N196 VanDerWaalsContact O-N 3.13Å; I193-L197 HydrophobicContact CG2-CD1 3.64Å; I193-L197 HydrophobicContact CG2-CG 4.29Å; I193-L197 WeakPolarHBondContact O-CG 3.49Å; I193-L197 PolarHBondContact O-N 3.43Å; I193-R220 HydrophobicContact CG2-CG 4.06Å
194Q96.4Very high95.9Very high39 Ų3947.8 Ų47.818%0.18223%0.234CC..Hα-helixtrans-58.6-36.4176.5174.260.978.100112.4P190 F191 I192 N198 E217P190-Q194 WeakPolarHBondContact O-CB 3.33Å; P190-Q194 PolarHBondContact O-N 3.03Å; F191-Q194 WeakPolarHBondContact O-CB 3.29Å; F191-Q194 PolarHBondContact O-N 2.83Å; I192-Q194 VanDerWaalsContact C-N 3.34Å; Q194-N198 VanDerWaalsContact NE2-CG 3.27Å; Q194-N198 PolarHBondContact NE2-ND2 2.84Å; Q194-N198 VanDerWaalsContact NE2-ND2 3.14Å; Q194-N198 PolarHBondContact NE2-OD1 3.17Å; Q194-N198 WeakPolarHBondContact O-CB 3.31Å; Q194-N198 VanDerWaalsContact O-CG 3.24Å; Q194-N198 PolarHBondContact O-N 3.45Å; Q194-N198 PolarHBondContact O-ND2 3.41Å; Q194-E217 PolarHBondContact OE1-OE1 3.03Å; Q194-E217 PolarHBondContact OE1-OE2 2.96Å; Q194-E217 VanDerWaalsContact OE1-OE2 3.06Å
195E96.6Very high95.9Very high16 Ų1646.2 Ų46.28%0.07523%0.226CC..Hα-helixtrans-64.3-46.8172.3-71.5-173.515300112.7N184 F191 I192 I193 L197 N198 L199 Q563 R595N184-E195 PolarHBondContact ND2-OE2 3.37Å; F191-E195 HydrophobicContact CE1-CG 4.17Å; F191-E195 WeakPolarHBondContact CE1-OE1 3.04Å; F191-E195 PolarHBondContact O-N 3.28Å; I192-E195 WeakPolarHBondContact O-CB 3.32Å; I192-E195 PolarHBondContact O-N 3.37Å; I193-E195 VanDerWaalsContact C-N 3.26Å; I193-E195 PolarHBondContact O-N 3.06Å; E195-L197 VanDerWaalsContact C-N 3.33Å; E195-L197 PolarHBondContact O-N 2.86Å; E195-N198 PolarHBondContact O-N 2.94Å; E195-L199 WeakPolarHBondContact O-CB 3.23Å; E195-L199 PolarHBondContact O-N 3.32Å; E195-Q563 PolarHBondContact OE1-NE2 2.85Å; E195-R595 HydrophobicContact CB-CG 3.82Å; E195-R595 HydrophobicContact CG-CG 4.49Å; E195-R595 WeakPolarHBondContact O-CG 3.38Å; E195-R595 IonicContact OE2-NE 2.68Å
196N98.3Very high96Very high0 Ų043.5 Ų43.50%022%0.216CC..Hα-helixtrans-60.8-42177-80-7.1000112.1D162 N184 I192 I193 L199 A200D162-N196 WeakPolarHBondContact O-CB 3.29Å; D162-N196 PolarHBondContact O-ND2 3.06Å; D162-N196 VanDerWaalsContact O-ND2 3.08Å; N184-N196 WeakPolarHBondContact CB-OD1 3.4Å; N184-N196 PolarHBondContact N-OD1 3.43Å; N184-N196 PolarHBondContact O-ND2 2.95Å; I192-N196 PolarHBondContact O-N 2.89Å; I192-N196 VanDerWaalsContact O-N 3.12Å; I193-N196 PolarHBondContact O-N 3.22Å; I193-N196 VanDerWaalsContact O-N 3.13Å; N196-L199 WeakPolarHBondContact O-CB 3.45Å; N196-L199 PolarHBondContact O-N 3.09Å; N196-A200 PolarHBondContact O-N 3.4Å
197L98.4Very high96.2Very high0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-67.7-38.2179.3-67.1168.8000111.9L166 I193 E195 A200 L201 A216 L219 R220L166-L197 HydrophobicContact CD1-CD2 4.27Å; I193-L197 HydrophobicContact CG2-CD1 3.64Å; I193-L197 HydrophobicContact CG2-CG 4.29Å; I193-L197 WeakPolarHBondContact O-CG 3.49Å; I193-L197 PolarHBondContact O-N 3.43Å; E195-L197 VanDerWaalsContact C-N 3.33Å; E195-L197 PolarHBondContact O-N 2.86Å; L197-A200 PolarHBondContact O-N 2.63Å; L197-L201 WeakPolarHBondContact O-CB 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.3Å; L197-L201 PolarHBondContact O-N 3.48Å; L197-A216 HydrophobicContact CB-CB 3.7Å; L197-A216 HydrophobicContact CD1-CB 4.39Å; L197-A216 WeakPolarHBondContact CD1-O 3.36Å; L197-L219 HydrophobicContact CD2-CB 3.84Å; L197-L219 HydrophobicContact CD2-CD1 4.28Å; L197-R220 HydrophobicContact CD1-CB 3.69Å; L197-R220 HydrophobicContact CD1-CG 4.34Å
198N97.2Very high96.5Very high40 Ų4026.6 Ų26.621%0.21414%0.144CC..Hα-helixtrans-63.4-42171.5-75.6-23.8000112Q194 E195 N202 R595Q194-N198 VanDerWaalsContact NE2-CG 3.27Å; Q194-N198 PolarHBondContact NE2-ND2 2.84Å; Q194-N198 VanDerWaalsContact NE2-ND2 3.14Å; Q194-N198 PolarHBondContact NE2-OD1 3.17Å; Q194-N198 WeakPolarHBondContact O-CB 3.31Å; Q194-N198 VanDerWaalsContact O-CG 3.24Å; Q194-N198 PolarHBondContact O-N 3.45Å; Q194-N198 PolarHBondContact O-ND2 3.41Å; E195-N198 PolarHBondContact O-N 2.94Å; N198-N202 WeakPolarHBondContact O-CB 3.29Å; N198-N202 PolarHBondContact O-N 2.96Å; N198-N202 PolarHBondContact O-ND2 3.22Å; N198-N202 VanDerWaalsContact O-ND2 3.14Å; N198-R595 WeakPolarHBondContact CB-O 3.4Å
199L98.5Very high96.6Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-58.9-48.6174.2174.762.2000110.9I178 A182 I183 E195 N196 S203 S591 R594 R595I178-L199 HydrophobicContact CD1-CG 4.36Å; I178-L199 HydrophobicContact CG1-CD1 4.42Å; I178-L199 HydrophobicContact CG2-CD1 4.08Å; I178-L199 HydrophobicContact CG2-CD2 3.74Å; I178-L199 HydrophobicContact CG2-CG 4.05Å; A182-L199 HydrophobicContact CB-CD2 4.14Å; I183-L199 HydrophobicContact CG1-CD2 4.03Å; E195-L199 WeakPolarHBondContact O-CB 3.23Å; E195-L199 PolarHBondContact O-N 3.32Å; N196-L199 WeakPolarHBondContact O-CB 3.45Å; N196-L199 PolarHBondContact O-N 3.09Å; L199-S203 WeakPolarHBondContact O-CB 3.43Å; L199-S203 PolarHBondContact O-N 2.71Å; L199-S203 PolarHBondContact O-OG 2.83Å; L199-S591 VanDerWaalsContact CD1-O 3.32Å; L199-S591 WeakPolarHBondContact CD1-O 3.15Å; L199-R594 HydrophobicContact CD1-CB 4.13Å; L199-R595 HydrophobicContact CB-CB 4.09Å; L199-R595 HydrophobicContact CB-CG 4.18Å; L199-R595 HydrophobicContact CD1-CB 4.35Å
200A98.6Very high96.4Very high1 Ų122.5 Ų22.51%0.00812%0.119CC..Hα-helixtrans-59.5-52176.900000112.1L166 I170 N196 L197 S203 A204L166-A200 HydrophobicContact CB-CB 3.8Å; L166-A200 HydrophobicContact CD1-CB 4.42Å; I170-A200 HydrophobicContact CD1-CB 4.27Å; I170-A200 WeakPolarHBondContact CD1-O 3.46Å; N196-A200 PolarHBondContact O-N 3.4Å; L197-A200 PolarHBondContact O-N 2.63Å; A200-S203 PolarHBondContact O-N 2.99Å; A200-A204 WeakPolarHBondContact O-CB 3.29Å; A200-A204 PolarHBondContact O-N 3.22Å
201L98Very high96.1Very high12 Ų1219.1 Ų19.16%0.06310%0.097CC..Hα-helixtrans-61.2-48.2-178.1-76.6169000112.9L197 S203 A204 S205 V211 I214 A216 L219 L230L197-L201 WeakPolarHBondContact O-CB 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.3Å; L197-L201 PolarHBondContact O-N 3.48Å; L201-S203 VanDerWaalsContact C-N 3.26Å; L201-S203 PolarHBondContact O-N 3.25Å; L201-A204 PolarHBondContact O-N 3.14Å; L201-S205 WeakPolarHBondContact O-CB 3.39Å; L201-S205 PolarHBondContact O-N 3.11Å; L201-V211 HydrophobicContact CD2-CB 4.29Å; L201-V211 HydrophobicContact CD2-CG1 4.41Å; L201-I214 WeakPolarHBondContact CD1-O 3.49Å; L201-I214 HydrophobicContact CD2-CB 3.96Å; L201-I214 HydrophobicContact CD2-CG2 3.67Å; L201-A216 HydrophobicContact CD1-CB 4.19Å; L201-L219 HydrophobicContact CD1-CD1 4.09Å; L201-L219 HydrophobicContact CD2-CD1 3.68Å; L201-L219 HydrophobicContact CG-CD1 3.79Å; L201-L230 HydrophobicContact CD2-CD2 4.24Å
202N97.4Very high95.3Very high17 Ų1715.6 Ų15.69%0.0919%0.085CC..Hα-helixtrans-69.2-27.9179.9-72.4-42.6000112.1N198 A206 R594 G597N198-N202 WeakPolarHBondContact O-CB 3.29Å; N198-N202 PolarHBondContact O-N 2.96Å; N198-N202 PolarHBondContact O-ND2 3.22Å; N198-N202 VanDerWaalsContact O-ND2 3.14Å; N202-A206 WeakPolarHBondContact O-CB 3.29Å; N202-A206 PolarHBondContact O-N 2.78Å; N202-A206 VanDerWaalsContact O-N 3.09Å; N202-R594 HydrophobicContact CB-CB 3.75Å; N202-R594 HydrophobicContact CB-CG 3.93Å; N202-R594 PolarHBondContact ND2-O 3.19Å; N202-G597 WeakPolarHBondContact ND2-CA 3.35Å
203S98.5Very high94.4Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-79-38176.2-56.70000112I178 L199 A200 L201 S205 A206 I207 R594I178-S203 VanDerWaalsContact CG1-OG 3.31Å; I178-S203 WeakPolarHBondContact CG1-OG 3.38Å; L199-S203 WeakPolarHBondContact O-CB 3.43Å; L199-S203 PolarHBondContact O-N 2.71Å; L199-S203 PolarHBondContact O-OG 2.83Å; A200-S203 PolarHBondContact O-N 2.99Å; L201-S203 VanDerWaalsContact C-N 3.26Å; L201-S203 PolarHBondContact O-N 3.25Å; S203-S205 VanDerWaalsContact C-N 3.31Å; S203-S205 PolarHBondContact O-N 3.26Å; S203-A206 PolarHBondContact O-N 2.68Å; S203-A206 VanDerWaalsContact O-N 3.12Å; S203-I207 PolarHBondContact O-N 2.66Å; S203-I207 VanDerWaalsContact O-N 3.14Å; S203-R594 WeakPolarHBondContact OG-CD 3.4Å
204A98.2Very high93.7Very high0 Ų018.6 Ų18.60%010%0.101CC..Hα-helixtrans-58.6-45169.600000110.7I170 A200 L201 A206 I207 G208 C209 V211 L230I170-A204 HydrophobicContact CD1-CB 4.02Å; A200-A204 WeakPolarHBondContact O-CB 3.29Å; A200-A204 PolarHBondContact O-N 3.22Å; L201-A204 PolarHBondContact O-N 3.14Å; A204-A206 VanDerWaalsContact C-N 3.31Å; A204-A206 PolarHBondContact O-N 3.13Å; A204-I207 WeakPolarHBondContact O-CG1 3.38Å; A204-I207 PolarHBondContact O-N 3.15Å; A204-G208 PolarHBondContact O-N 3.23Å; A204-C209 HydrophobicContact CB-CB 3.97Å; A204-C209 WeakPolarHBondContact O-CB 3.38Å; A204-C209 PolarHBondContact O-N 3.25Å; A204-C209 PolarHBondContact O-SG 3Å; A204-V211 HydrophobicContact CB-CG1 4.03Å; A204-L230 HydrophobicContact CB-CD1 3.93Å
205S96.1Very high93.2Very high5 Ų518 Ų184%0.03511%0.106CC..Hα-helixtrans-58.3-41.8172.8-170.10000112.3L201 S203 I207 G208 S409 Y601L201-S205 WeakPolarHBondContact O-CB 3.39Å; L201-S205 PolarHBondContact O-N 3.11Å; S203-S205 VanDerWaalsContact C-N 3.31Å; S203-S205 PolarHBondContact O-N 3.26Å; S205-I207 VanDerWaalsContact C-N 3.27Å; S205-I207 PolarHBondContact O-N 3.13Å; S205-G208 PolarHBondContact O-N 2.94Å; S205-G208 VanDerWaalsContact O-N 3.08Å; S205-S409 WeakPolarHBondContact O-CB 3.3Å; S205-S409 WeakPolarHBondContact OG-CB 3.49Å; S205-Y601 WeakPolarHBondContact O-CE1 3.44Å; S205-Y601 PolarHBondContact OG-OH 2.88Å; S205-Y601 VanDerWaalsContact OG-OH 3.13Å
206A96.8Very high93Very high10 Ų1017.6 Ų17.68%0.08311%0.105CC..Hα-helixtrans-68.2-23.8-178.400000113.7N202 S203 A204 N405N202-A206 WeakPolarHBondContact O-CB 3.29Å; N202-A206 PolarHBondContact O-N 2.78Å; N202-A206 VanDerWaalsContact O-N 3.09Å; S203-A206 PolarHBondContact O-N 2.68Å; S203-A206 VanDerWaalsContact O-N 3.12Å; A204-A206 VanDerWaalsContact C-N 3.31Å; A204-A206 PolarHBondContact O-N 3.13Å; A206-N405 VanDerWaalsContact O-CB 3.32Å; A206-N405 WeakPolarHBondContact O-CB 3.36Å; A206-N405 PolarHBondContact O-ND2 3.36Å
207I96.7Very high92.7Very high9 Ų921.4 Ų21.45%0.04612%0.123CC..THydrogen-bonded Turntrans-91.42.717366.6166000113.2I170 V174 T177 S203 A204 S205 I237 N405I170-I207 HydrophobicContact CG2-CD1 4.31Å; V174-I207 HydrophobicContact CB-CG2 3.92Å; V174-I207 HydrophobicContact CG1-CG2 4.2Å; V174-I207 HydrophobicContact CG2-CB 4.06Å; V174-I207 HydrophobicContact CG2-CD1 4.25Å; V174-I207 HydrophobicContact CG2-CG2 3.89Å; T177-I207 HydrophobicContact CG2-CG2 3.61Å; S203-I207 PolarHBondContact O-N 2.66Å; S203-I207 VanDerWaalsContact O-N 3.14Å; A204-I207 WeakPolarHBondContact O-CG1 3.38Å; A204-I207 PolarHBondContact O-N 3.15Å; S205-I207 VanDerWaalsContact C-N 3.27Å; S205-I207 PolarHBondContact O-N 3.13Å; I207-I237 HydrophobicContact CD1-CD1 3.93Å; I207-I237 HydrophobicContact CD1-CG2 4.44Å; I207-I237 HydrophobicContact CG1-CD1 4.02Å; I207-I237 WeakPolarHBondContact O-CD1 2.93Å; I207-N405 PolarHBondContact O-OD1 3.22Å
208G95.2Very high92.3Very high6 Ų623 Ų236%0.06213%0.132CC..THydrogen-bonded Turntrans99.88.6174.800000115.8A204 S205 N405A204-G208 PolarHBondContact O-N 3.23Å; S205-G208 PolarHBondContact O-N 2.94Å; S205-G208 VanDerWaalsContact O-N 3.08Å; G208-N405 WeakPolarHBondContact CA-O 3.22Å
209C95Very high92.1Very high0 Ų021.1 Ų21.10%012%0.122CC..  trans-68.7137.1171.5-60.70000110.5A204 V211 L230 Q233 I237 S409A204-C209 HydrophobicContact CB-CB 3.97Å; A204-C209 WeakPolarHBondContact O-CB 3.38Å; A204-C209 PolarHBondContact O-N 3.25Å; A204-C209 PolarHBondContact O-SG 3Å; C209-V211 HydrophobicContact CB-CG1 3.98Å; C209-V211 PolarHBondContact O-N 2.93Å; C209-L230 HydrophobicContact CB-CD1 4.5Å; C209-Q233 HydrophobicContact CB-CB 4.3Å; C209-I237 VanDerWaalsContact SG-CD1 3.55Å; C209-S409 WeakPolarHBondContact O-CA 3.49Å; C209-S409 WeakPolarHBondContact O-CB 3.44Å
210H90.2Very high92Very high37 Ų3726.1 Ų26.117%0.17114%0.14CC..  trans-78.5106.5167.8-176.162000109.6L26 V212 Q233 S409 G411L26-H210 PolarHBondContact O-NE2 2.93Å; L26-H210 VanDerWaalsContact O-NE2 3.13Å; H210-V212 WeakPolarHBondContact CE1-CB 3.28Å; H210-V212 WeakPolarHBondContact CE1-CG2 3.3Å; H210-Q233 PolarHBondContact O-NE2 3.2Å; H210-Q233 VanDerWaalsContact O-NE2 3.08Å; H210-S409 PolarHBondContact ND1-O 3.35Å; H210-S409 VanDerWaalsContact ND1-O 3.07Å; H210-G411 VanDerWaalsContact ND1-CA 3.27Å; H210-G411 WeakPolarHBondContact ND1-CA 2.95Å; H210-G411 PolarHBondContact ND1-N 3.09Å; H210-G411 VanDerWaalsContact ND1-N 3.13Å
211V87.2Confident91.7Very high20 Ų2029.7 Ų29.712%0.12117%0.17CC..  trans-115.315.6-177.1-59.20000112.7L201 A204 C209 N213 I214 L230L201-V211 HydrophobicContact CD2-CB 4.29Å; L201-V211 HydrophobicContact CD2-CG1 4.41Å; A204-V211 HydrophobicContact CB-CG1 4.03Å; C209-V211 HydrophobicContact CB-CG1 3.98Å; C209-V211 PolarHBondContact O-N 2.93Å; V211-N213 PolarHBondContact O-N 3.36Å; V211-I214 PolarHBondContact O-N 3.47Å; V211-L230 HydrophobicContact CG1-CD1 3.94Å
212V76.6Confident91.5Very high47 Ų4729.4 Ų29.429%0.28517%0.17SC..THydrogen-bonded Turntrans-63.9137.1173.5-175.40000108H210 I214H210-V212 WeakPolarHBondContact CE1-CB 3.28Å; H210-V212 WeakPolarHBondContact CE1-CG2 3.3Å; V212-I214 PolarHBondContact O-N 3.4Å
213N74.4Confident91.1Very high108 Ų10832.5 Ų32.558%0.57818%0.183SC*.THydrogen-bonded Turntrans65.613.1-172.9-50.1-38000116.4S28 V211S28-N213 PolarHBondContact OG-ND2 3.32Å; V211-N213 PolarHBondContact O-N 3.36Å
214I84Confident90.6Very high23 Ų2334 Ų3412%0.11819%0.192CC..  trans-104.8102168.5-46-174.8000108.7L201 V211 V212 L219 L226 L230L201-I214 WeakPolarHBondContact CD1-O 3.49Å; L201-I214 HydrophobicContact CD2-CB 3.96Å; L201-I214 HydrophobicContact CD2-CG2 3.67Å; V211-I214 PolarHBondContact O-N 3.47Å; V212-I214 PolarHBondContact O-N 3.4Å; I214-L219 HydrophobicContact CG2-CD1 4.18Å; I214-L219 HydrophobicContact CG2-CD2 3.9Å; I214-L219 HydrophobicContact CG2-CG 3.88Å; I214-L226 HydrophobicContact CG1-CD2 4.3Å; I214-L226 HydrophobicContact CG2-CB 4.45Å; I214-L230 HydrophobicContact CD1-CB 4.25Å
215G85.6Confident89.8Confident27 Ų2736.4 Ų36.428%0.27820%0.204SC..  trans-84.7154.9172.400000112E217 D218 L219G215-E217 PolarHBondContact O-N 3.21Å; G215-D218 VanDerWaalsContact CA-OD2 3.27Å; G215-D218 WeakPolarHBondContact CA-OD2 3.39Å; G215-D218 PolarHBondContact N-OD2 3.23Å; G215-D218 WeakPolarHBondContact O-CB 3.32Å; G215-D218 PolarHBondContact O-N 3.22Å; G215-L219 PolarHBondContact O-N 2.66Å
216A92.8Very high89.4Confident7 Ų738.4 Ų38.46%0.05821%0.214CC..Hα-helixtrans-58.5-35.6171.100000111.8L197 L201 D218 L219 R220L197-A216 HydrophobicContact CB-CB 3.7Å; L197-A216 HydrophobicContact CD1-CB 4.39Å; L197-A216 WeakPolarHBondContact CD1-O 3.36Å; L201-A216 HydrophobicContact CD1-CB 4.19Å; A216-D218 VanDerWaalsContact C-N 3.29Å; A216-D218 PolarHBondContact O-N 3Å; A216-L219 PolarHBondContact O-N 3.05Å; A216-R220 WeakPolarHBondContact O-CB 3.45Å; A216-R220 PolarHBondContact O-N 3.09Å
217E92.2Very high89.3Confident81 Ų8138 Ų3838%0.37921%0.21SC..Hα-helixtrans-70.1-28.4179.9-52.8-59.2-126.300113Q194 G215 R220 A221Q194-E217 PolarHBondContact OE1-OE1 3.03Å; Q194-E217 PolarHBondContact OE1-OE2 2.96Å; Q194-E217 VanDerWaalsContact OE1-OE2 3.06Å; G215-E217 PolarHBondContact O-N 3.21Å; E217-R220 VanDerWaalsContact CD-NH1 3.26Å; E217-R220 IonicContact OE1-CZ 2.65Å; E217-R220 IonicContact OE1-NH1 3.87Å; E217-R220 PolarHBondContact OE1-NH1 3.18Å; E217-R220 IonicContact OE1-NH2 3.18Å; E217-R220 PolarHBondContact OE1-NH2 3.11Å; E217-R220 IonicContact OE2-CZ 3.52Å; E217-R220 IonicContact OE2-NE 2.82Å; E217-R220 PolarHBondContact OE2-NE 3.41Å; E217-R220 IonicContact OE2-NH1 3.12Å; E217-R220 PolarHBondContact OE2-NH1 3.36Å; E217-R220 IonicContact OE2-NH2 3.98Å; E217-R220 PolarHBondContact OE2-NH2 2.99Å; E217-A221 VanDerWaalsContact O-CB 3.26Å; E217-A221 WeakPolarHBondContact O-CB 3.23Å; E217-A221 PolarHBondContact O-N 3.39Å
218D89Confident89.1Confident34 Ų3437.7 Ų37.718%0.18221%0.209CC..Hα-helixtrans-66.5-42.4172-59.7-54.8000111.6G215 A216 A221 G222 K223 L226G215-D218 VanDerWaalsContact CA-OD2 3.27Å; G215-D218 WeakPolarHBondContact CA-OD2 3.39Å; G215-D218 PolarHBondContact N-OD2 3.23Å; G215-D218 WeakPolarHBondContact O-CB 3.32Å; G215-D218 PolarHBondContact O-N 3.22Å; A216-D218 VanDerWaalsContact C-N 3.29Å; A216-D218 PolarHBondContact O-N 3Å; D218-A221 PolarHBondContact O-N 2.87Å; D218-G222 PolarHBondContact O-N 3.31Å; D218-K223 HydrophobicContact CB-CD 3.94Å; D218-K223 HydrophobicContact CB-CG 4.43Å; D218-K223 PolarHBondContact O-N 3.06Å; D218-K223 WeakPolarHBondContact OD1-CD 3.41Å; D218-K223 VanDerWaalsContact OD1-CE 3.22Å; D218-K223 WeakPolarHBondContact OD1-CE 3.45Å; D218-K223 IonicContact OD1-NZ 2.93Å; D218-K223 PolarHBondContact OD1-NZ 2.95Å; D218-L226 HydrophobicContact CB-CD1 3.57Å
219L94Very high88.8Confident0 Ų038.8 Ų38.80%022%0.22CC..Hα-helixtrans-70.8-39176.6-64.9179.4000112L166 L197 L201 I214 G215 A216 A221 G222 V227 L230L166-L219 HydrophobicContact CD1-CD1 3.8Å; L197-L219 HydrophobicContact CD2-CB 3.84Å; L197-L219 HydrophobicContact CD2-CD1 4.28Å; L201-L219 HydrophobicContact CD1-CD1 4.09Å; L201-L219 HydrophobicContact CD2-CD1 3.68Å; L201-L219 HydrophobicContact CG-CD1 3.79Å; I214-L219 HydrophobicContact CG2-CD1 4.18Å; I214-L219 HydrophobicContact CG2-CD2 3.9Å; I214-L219 HydrophobicContact CG2-CG 3.88Å; G215-L219 PolarHBondContact O-N 2.66Å; A216-L219 PolarHBondContact O-N 3.05Å; L219-A221 VanDerWaalsContact C-N 3.29Å; L219-A221 PolarHBondContact O-N 3.15Å; L219-G222 WeakPolarHBondContact O-CA 3.29Å; L219-G222 PolarHBondContact O-N 3.22Å; L219-V227 HydrophobicContact CD2-CG2 4.07Å; L219-L230 HydrophobicContact CD1-CD2 3.91Å; L219-L230 HydrophobicContact CD2-CD2 4.09Å
220R95.7Very high88.8Confident104 Ų10438.9 Ų38.939%0.39222%0.22SC..Hα-helixtrans-62.2-39174.5-168.2179.170.3-154.5-8.2111.6I193 L197 A216 E217 G222I193-R220 HydrophobicContact CG2-CG 4.06Å; L197-R220 HydrophobicContact CD1-CB 3.69Å; L197-R220 HydrophobicContact CD1-CG 4.34Å; A216-R220 WeakPolarHBondContact O-CB 3.45Å; A216-R220 PolarHBondContact O-N 3.09Å; E217-R220 VanDerWaalsContact CD-NH1 3.26Å; E217-R220 IonicContact OE1-CZ 2.65Å; E217-R220 IonicContact OE1-NH1 3.87Å; E217-R220 PolarHBondContact OE1-NH1 3.18Å; E217-R220 IonicContact OE1-NH2 3.18Å; E217-R220 PolarHBondContact OE1-NH2 3.11Å; E217-R220 IonicContact OE2-CZ 3.52Å; E217-R220 IonicContact OE2-NE 2.82Å; E217-R220 PolarHBondContact OE2-NE 3.41Å; E217-R220 IonicContact OE2-NH1 3.12Å; E217-R220 PolarHBondContact OE2-NH1 3.36Å; E217-R220 IonicContact OE2-NH2 3.98Å; E217-R220 PolarHBondContact OE2-NH2 2.99Å; R220-G222 PolarHBondContact O-N 3.27Å
221A92.9Very high89.2Confident77 Ų7737.1 Ų37.164%0.63621%0.212SC*.THydrogen-bonded Turntrans-73.7-9.6174.200000113.1E217 D218 L219 K223E217-A221 VanDerWaalsContact O-CB 3.26Å; E217-A221 WeakPolarHBondContact O-CB 3.23Å; E217-A221 PolarHBondContact O-N 3.39Å; D218-A221 PolarHBondContact O-N 2.87Å; L219-A221 VanDerWaalsContact C-N 3.29Å; L219-A221 PolarHBondContact O-N 3.15Å; A221-K223 HydrophobicContact CB-CG 4.5Å
222G93.1Very high89.6Confident6 Ų637.6 Ų37.66%0.06221%0.212CC..THydrogen-bonded Turntrans6833.6-179.900000113.4F157 D218 L219 R220 P224F157-G222 WeakPolarHBondContact CB-O 3.36Å; F157-G222 VanDerWaalsContact O-CA 3.28Å; F157-G222 WeakPolarHBondContact O-CA 3.35Å; D218-G222 PolarHBondContact O-N 3.31Å; L219-G222 WeakPolarHBondContact O-CA 3.29Å; L219-G222 PolarHBondContact O-N 3.22Å; R220-G222 PolarHBondContact O-N 3.27Å; G222-P224 WeakPolarHBondContact O-CD 3.17Å
223K88.4Confident90.5Very high82 Ų8237.9 Ų37.936%0.35721%0.21SC..  trans-55.9112-179.5-74.3-169.5179.6173.80110.6D218 A221 H225 L226 V227D218-K223 HydrophobicContact CB-CD 3.94Å; D218-K223 HydrophobicContact CB-CG 4.43Å; D218-K223 PolarHBondContact O-N 3.06Å; D218-K223 WeakPolarHBondContact OD1-CD 3.41Å; D218-K223 VanDerWaalsContact OD1-CE 3.22Å; D218-K223 WeakPolarHBondContact OD1-CE 3.45Å; D218-K223 IonicContact OD1-NZ 2.93Å; D218-K223 PolarHBondContact OD1-NZ 2.95Å; A221-K223 HydrophobicContact CB-CG 4.5Å; K223-H225 PolarHBondContact O-N 3.47Å; K223-L226 HydrophobicContact CB-CB 4.39Å; K223-L226 HydrophobicContact CB-CD1 4.05Å; K223-L226 HydrophobicContact CB-CG 4.36Å; K223-L226 HydrophobicContact CD-CD1 3.89Å; K223-L226 PolarHBondContact O-N 2.69Å; K223-V227 WeakPolarHBondContact O-CG2 3.45Å; K223-V227 PolarHBondContact O-N 2.93Å
224P88.6Confident91.6Very high30 Ų3032.8 Ų32.820%0.19518%0.183CC..Hα-helixtrans-56-45.1-163-3338000115.9Y121 F157 G222 L226 V227 L228Y121-P224 HydrophobicContact CD1-CB 3.15Å; Y121-P224 HydrophobicContact CD1-CG 3.69Å; Y121-P224 HydrophobicContact CD2-CB 4.31Å; Y121-P224 HydrophobicContact CE1-CB 3.68Å; Y121-P224 HydrophobicContact CE1-CG 3.78Å; Y121-P224 HydrophobicContact CG-CB 3.53Å; F157-P224 HydrophobicContact CD1-CB 4.14Å; F157-P224 HydrophobicContact CD1-CG 4.39Å; F157-P224 HydrophobicContact CD2-CB 4.41Å; F157-P224 HydrophobicContact CD2-CG 4.1Å; F157-P224 VanDerWaalsContact CE1-CA 3.46Å; F157-P224 HydrophobicContact CE1-CB 3.65Å; F157-P224 HydrophobicContact CE1-CG 4.3Å; F157-P224 HydrophobicContact CE2-CB 3.94Å; F157-P224 HydrophobicContact CE2-CG 4Å; F157-P224 HydrophobicContact CG-CG 4.32Å; F157-P224 HydrophobicContact CZ-CB 3.54Å; F157-P224 HydrophobicContact CZ-CG 4.12Å; G222-P224 WeakPolarHBondContact O-CD 3.17Å; P224-L226 PolarHBondContact O-N 2.72Å; P224-V227 PolarHBondContact O-N 3.27Å; P224-L228 WeakPolarHBondContact O-CB 3.46Å; P224-L228 WeakPolarHBondContact O-CG 3.5Å; P224-L228 PolarHBondContact O-N 3.47Å
225H81.9Confident92.2Very high52 Ų5231.8 Ų31.824%0.24118%0.177CC..Hα-helixtrans-63.9-41.1-176.1-3668000111.3H119 S120 K223 G229H119-H225 WeakPolarHBondContact CB-CE1 3.26Å; H119-H225 WeakPolarHBondContact CB-ND1 3.46Å; H119-H225 WeakPolarHBondContact CB-NE2 3.37Å; H119-H225 AromaticContact CG-CE1 3.99Å; H119-H225 PolarHBondContact O-CE1 3.04Å; H119-H225 PolarHBondContact O-NE2 3.46Å; H119-H225 VanDerWaalsContact O-NE2 3.09Å; S120-H225 WeakPolarHBondContact CA-NE2 3.37Å; S120-H225 PolarHBondContact N-NE2 2.83Å; S120-H225 PolarHBondContact O-CD2 3Å; S120-H225 PolarHBondContact O-NE2 3.32Å; K223-H225 PolarHBondContact O-N 3.47Å; H225-G229 WeakPolarHBondContact O-CA 3.44Å; H225-G229 PolarHBondContact O-N 3.29Å
226L87.2Confident92.7Very high47 Ų4733.3 Ų33.325%0.24618%0.176CC..Hα-helixtrans-74.8-39.1-179.7-59.6177.6000110.5I214 D218 K223 P224 L230I214-L226 HydrophobicContact CG1-CD2 4.3Å; I214-L226 HydrophobicContact CG2-CB 4.45Å; D218-L226 HydrophobicContact CB-CD1 3.57Å; K223-L226 HydrophobicContact CB-CB 4.39Å; K223-L226 HydrophobicContact CB-CD1 4.05Å; K223-L226 HydrophobicContact CB-CG 4.36Å; K223-L226 HydrophobicContact CD-CD1 3.89Å; K223-L226 PolarHBondContact O-N 2.69Å; P224-L226 PolarHBondContact O-N 2.72Å; L226-L230 VanDerWaalsContact O-CB 3.27Å; L226-L230 WeakPolarHBondContact O-CB 3.38Å; L226-L230 PolarHBondContact O-N 2.96Å
227V95Very high92.9Very high0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-63.3-52.7174.4171.80000111.1L156 F157 V160 L219 K223 P224 L230 L231L156-V227 HydrophobicContact CG-CG1 4.41Å; F157-V227 HydrophobicContact CD1-CB 3.98Å; F157-V227 HydrophobicContact CD1-CG1 3.91Å; F157-V227 HydrophobicContact CD1-CG2 4.36Å; F157-V227 HydrophobicContact CE1-CB 4.32Å; F157-V227 HydrophobicContact CE1-CG1 4.28Å; V160-V227 HydrophobicContact CG1-CG1 4.16Å; V160-V227 HydrophobicContact CG2-CB 4.4Å; V160-V227 HydrophobicContact CG2-CG1 3.74Å; V160-V227 HydrophobicContact CG2-CG2 3.7Å; L219-V227 HydrophobicContact CD2-CG2 4.07Å; K223-V227 WeakPolarHBondContact O-CG2 3.45Å; K223-V227 PolarHBondContact O-N 2.93Å; P224-V227 PolarHBondContact O-N 3.27Å; V227-L230 PolarHBondContact O-N 3.34Å; V227-L231 HydrophobicContact CG1-CD1 3.79Å; V227-L231 HydrophobicContact CG1-CG 4.46Å; V227-L231 WeakPolarHBondContact O-CB 3.43Å; V227-L231 WeakPolarHBondContact O-CG 3.43Å; V227-L231 PolarHBondContact O-N 3.44Å
228L92.8Very high93.1Very high4 Ų432.5 Ų32.52%0.02118%0.179CC..Hα-helixtrans-64.8-41.4179.3-65.6-179.2000111.8Y121 E125 K126 F129 L156 F157 P224 L230 L231 W232Y121-L228 HydrophobicContact CD2-CD1 3.71Å; Y121-L228 HydrophobicContact CG-CD1 4.17Å; E125-L228 HydrophobicContact CB-CD1 4.46Å; K126-L228 HydrophobicContact CB-CD1 4.44Å; K126-L228 HydrophobicContact CB-CD2 4.14Å; F129-L228 HydrophobicContact CD2-CD2 3.72Å; F129-L228 HydrophobicContact CE2-CB 4.35Å; F129-L228 HydrophobicContact CE2-CD2 4.19Å; L156-L228 HydrophobicContact CD2-CD2 3.61Å; F157-L228 HydrophobicContact CE1-CD2 4.17Å; F157-L228 HydrophobicContact CE1-CG 4.02Å; F157-L228 HydrophobicContact CZ-CD1 4.45Å; F157-L228 HydrophobicContact CZ-CG 4.41Å; P224-L228 WeakPolarHBondContact O-CB 3.46Å; P224-L228 WeakPolarHBondContact O-CG 3.5Å; P224-L228 PolarHBondContact O-N 3.47Å; L228-L230 PolarHBondContact O-N 3.22Å; L228-L231 PolarHBondContact O-N 2.89Å; L228-W232 WeakPolarHBondContact O-CB 3.26Å; L228-W232 PolarHBondContact O-N 2.77Å
229G88.7Confident93.4Very high29 Ų2931.1 Ų31.130%0.29917%0.171SC..Hα-helixtrans-60.5-43.2176.900000112.7H225 Q233H225-G229 WeakPolarHBondContact O-CA 3.44Å; H225-G229 PolarHBondContact O-N 3.29Å; G229-Q233 WeakPolarHBondContact O-CG 3.27Å; G229-Q233 PolarHBondContact O-N 3.06Å; G229-Q233 PolarHBondContact O-NE2 3.14Å
230L95Very high93.5Very high1 Ų132.1 Ų32.11%0.00518%0.176CC..Hα-helixtrans-69.4-46.1176.7-179.958.3000112.1L166 L201 A204 C209 V211 I214 L219 L226 V227 L228 W232 Q233 I234L166-L230 HydrophobicContact CD1-CD2 4.32Å; L166-L230 HydrophobicContact CD2-CD2 4.2Å; L201-L230 HydrophobicContact CD2-CD2 4.24Å; A204-L230 HydrophobicContact CB-CD1 3.93Å; C209-L230 HydrophobicContact CB-CD1 4.5Å; V211-L230 HydrophobicContact CG1-CD1 3.94Å; I214-L230 HydrophobicContact CD1-CB 4.25Å; L219-L230 HydrophobicContact CD1-CD2 3.91Å; L219-L230 HydrophobicContact CD2-CD2 4.09Å; L226-L230 VanDerWaalsContact O-CB 3.27Å; L226-L230 WeakPolarHBondContact O-CB 3.38Å; L226-L230 PolarHBondContact O-N 2.96Å; V227-L230 PolarHBondContact O-N 3.34Å; L228-L230 PolarHBondContact O-N 3.22Å; L230-W232 VanDerWaalsContact C-N 3.33Å; L230-W232 PolarHBondContact O-N 2.7Å; L230-Q233 PolarHBondContact O-N 3.09Å; L230-I234 HydrophobicContact CD1-CD1 3.97Å; L230-I234 HydrophobicContact CD1-CG1 4.32Å; L230-I234 HydrophobicContact CG-CD1 3.83Å; L230-I234 WeakPolarHBondContact O-CG1 3.39Å; L230-I234 PolarHBondContact O-N 3.01Å
231L97.6Very high93.4Very high0 Ų028.8 Ų28.80%017%0.171CC..Hα-helixtrans-60.8-42.3178.4-76.3172.4000111.8F129 I133 L156 V160 L166 V227 L228 Q233 I234 I235F129-L231 HydrophobicContact CD2-CB 4.14Å; I133-L231 HydrophobicContact CD1-CD1 4.04Å; I133-L231 HydrophobicContact CD1-CD2 4.01Å; L156-L231 HydrophobicContact CD1-CD1 3.84Å; L156-L231 HydrophobicContact CD2-CD1 3.99Å; L156-L231 HydrophobicContact CG-CD1 4.21Å; V160-L231 HydrophobicContact CG1-CD1 4.46Å; L166-L231 HydrophobicContact CD2-CD2 3.8Å; L166-L231 HydrophobicContact CD2-CG 4.31Å; V227-L231 HydrophobicContact CG1-CD1 3.79Å; V227-L231 HydrophobicContact CG1-CG 4.46Å; V227-L231 WeakPolarHBondContact O-CB 3.43Å; V227-L231 WeakPolarHBondContact O-CG 3.43Å; V227-L231 PolarHBondContact O-N 3.44Å; L228-L231 PolarHBondContact O-N 2.89Å; L231-Q233 PolarHBondContact O-N 2.95Å; L231-I234 PolarHBondContact O-N 3.43Å; L231-I235 WeakPolarHBondContact O-CB 3.34Å; L231-I235 WeakPolarHBondContact O-CG1 3.45Å; L231-I235 PolarHBondContact O-N 3.44Å
232W95.3Very high93.2Very high31 Ų3129.1 Ų29.112%0.11716%0.162CC..Hα-helixtrans-57.7-48.3175.4171.6-121.7000111.6F129 L228 L230 I234 I235 K236 K364 A368F129-W232 AromaticContact CE1-CE3 3.93Å; F129-W232 HydrophobicContact CE1-CE3 3.93Å; F129-W232 HydrophobicContact CE2-CB 4Å; F129-W232 HydrophobicContact CZ-CB 3.74Å; F129-W232 HydrophobicContact CZ-CD2 4.37Å; F129-W232 AromaticContact CZ-CE3 3.87Å; F129-W232 HydrophobicContact CZ-CE3 3.87Å; F129-W232 HydrophobicContact CZ-CG 4.35Å; L228-W232 WeakPolarHBondContact O-CB 3.26Å; L228-W232 PolarHBondContact O-N 2.77Å; L230-W232 VanDerWaalsContact C-N 3.33Å; L230-W232 PolarHBondContact O-N 2.7Å; W232-I234 PolarHBondContact O-N 3.17Å; W232-I235 PolarHBondContact O-N 2.97Å; W232-K236 HydrophobicContact CD2-CB 4.36Å; W232-K236 HydrophobicContact CH2-CB 4.24Å; W232-K236 HydrophobicContact CH2-CG 4.31Å; W232-K236 HydrophobicContact CZ2-CB 4.04Å; W232-K236 HydrophobicContact CZ2-CD 3.77Å; W232-K236 HydrophobicContact CZ2-CG 3.96Å; W232-K236 HydrophobicContact CZ3-CB 4.47Å; W232-K236 WeakPolarHBondContact O-CB 3.17Å; W232-K236 PolarHBondContact O-N 3.11Å; W232-K364 HydrophobicContact CB-CD 4.46Å; W232-K364 HydrophobicContact CD2-CD 3.41Å; W232-K364 VanDerWaalsContact CD2-CD 3.41Å; W232-K364 HydrophobicContact CD2-CG 3.58Å; W232-K364 HydrophobicContact CE3-CD 3.78Å; W232-K364 HydrophobicContact CE3-CG 3.71Å; W232-K364 HydrophobicContact CG-CD 3.69Å; W232-K364 HydrophobicContact CG-CG 4.35Å; W232-K364 HydrophobicContact CH2-CD 4.45Å; W232-K364 HydrophobicContact CH2-CG 3.52Å; W232-K364 HydrophobicContact CZ2-CD 4.15Å; W232-K364 HydrophobicContact CZ2-CG 3.38Å; W232-K364 HydrophobicContact CZ3-CD 4.28Å; W232-K364 HydrophobicContact CZ3-CG 3.69Å; W232-A368 HydrophobicContact CH2-CB 4.23Å; W232-A368 HydrophobicContact CZ3-CB 3.94Å
233Q96Very high93.2Very high52 Ų5229 Ų2924%0.24316%0.16CC..Hα-helixtrans-60.2-45.1179.4-71.7-177.780.600111.8C209 H210 G229 L230 L231 K236 I237C209-Q233 HydrophobicContact CB-CB 4.3Å; H210-Q233 PolarHBondContact O-NE2 3.2Å; H210-Q233 VanDerWaalsContact O-NE2 3.08Å; G229-Q233 WeakPolarHBondContact O-CG 3.27Å; G229-Q233 PolarHBondContact O-N 3.06Å; G229-Q233 PolarHBondContact O-NE2 3.14Å; L230-Q233 PolarHBondContact O-N 3.09Å; L231-Q233 PolarHBondContact O-N 2.95Å; Q233-K236 PolarHBondContact O-N 2.94Å; Q233-I237 WeakPolarHBondContact O-CG1 3.46Å; Q233-I237 PolarHBondContact O-N 2.75Å; Q233-I237 VanDerWaalsContact O-N 3.08Å
234I98.1Very high93.4Very high1 Ų127.6 Ų27.61%0.00516%0.155CC..Hα-helixtrans-61.2-52.7177.8-67.2164000110.5L166 M169 I170 S173 L230 L231 W232 K236 I237 G238L166-I234 HydrophobicContact CD2-CD1 4.47Å; M169-I234 HydrophobicContact CB-CG2 4.01Å; M169-I234 WeakPolarHBondContact O-CG2 3.34Å; I170-I234 HydrophobicContact CD1-CD1 4.34Å; I170-I234 HydrophobicContact CG1-CD1 3.84Å; I170-I234 HydrophobicContact CG1-CG1 4.13Å; I170-I234 HydrophobicContact CG1-CG2 4.32Å; S173-I234 WeakPolarHBondContact CB-O 3.39Å; S173-I234 VanDerWaalsContact OG-CG2 3.26Å; S173-I234 WeakPolarHBondContact OG-CG2 3.36Å; S173-I234 PolarHBondContact OG-O 2.97Å; L230-I234 HydrophobicContact CD1-CD1 3.97Å; L230-I234 HydrophobicContact CD1-CG1 4.32Å; L230-I234 HydrophobicContact CG-CD1 3.83Å; L230-I234 WeakPolarHBondContact O-CG1 3.39Å; L230-I234 PolarHBondContact O-N 3.01Å; L231-I234 PolarHBondContact O-N 3.43Å; W232-I234 PolarHBondContact O-N 3.17Å; I234-K236 VanDerWaalsContact C-N 3.33Å; I234-K236 PolarHBondContact O-N 3.33Å; I234-I237 PolarHBondContact O-N 2.94Å; I234-G238 PolarHBondContact O-N 3.37Å
235I97.2Very high93.4Very high2 Ų226.4 Ų26.41%0.0115%0.147CC..Hα-helixtrans-59.6-44.2-179.8-69.2167.4000110.7F129 M169 L231 W232 I237 G238 L239 F352F129-I235 HydrophobicContact CB-CD1 4.31Å; F129-I235 HydrophobicContact CD1-CD1 3.75Å; F129-I235 HydrophobicContact CE1-CD1 4.29Å; F129-I235 HydrophobicContact CG-CD1 4.01Å; M169-I235 HydrophobicContact CE-CG1 3.93Å; L231-I235 WeakPolarHBondContact O-CB 3.34Å; L231-I235 WeakPolarHBondContact O-CG1 3.45Å; L231-I235 PolarHBondContact O-N 3.44Å; W232-I235 PolarHBondContact O-N 2.97Å; I235-I237 PolarHBondContact O-N 3.06Å; I235-G238 PolarHBondContact O-N 3.14Å; I235-L239 HydrophobicContact CG2-CD1 3.73Å; I235-L239 HydrophobicContact CG2-CG 4.07Å; I235-L239 WeakPolarHBondContact O-CG 3.38Å; I235-L239 PolarHBondContact O-N 3.14Å; I235-F352 HydrophobicContact CG2-CE1 3.82Å; I235-F352 HydrophobicContact CG2-CZ 4.03Å
236K95.8Very high93.7Very high59 Ų5925.6 Ų25.626%0.25715%0.147SC..Hα-helixtrans-60-44.9179.9-174-174.4-179.7-172.90111.5W232 Q233 I234 G238 L239 F240 E270W232-K236 HydrophobicContact CD2-CB 4.36Å; W232-K236 HydrophobicContact CH2-CB 4.24Å; W232-K236 HydrophobicContact CH2-CG 4.31Å; W232-K236 HydrophobicContact CZ2-CB 4.04Å; W232-K236 HydrophobicContact CZ2-CD 3.77Å; W232-K236 HydrophobicContact CZ2-CG 3.96Å; W232-K236 HydrophobicContact CZ3-CB 4.47Å; W232-K236 WeakPolarHBondContact O-CB 3.17Å; W232-K236 PolarHBondContact O-N 3.11Å; Q233-K236 PolarHBondContact O-N 2.94Å; I234-K236 VanDerWaalsContact C-N 3.33Å; I234-K236 PolarHBondContact O-N 3.33Å; K236-G238 VanDerWaalsContact C-N 3.32Å; K236-G238 PolarHBondContact O-N 3.07Å; K236-L239 PolarHBondContact O-N 3.42Å; K236-F240 HydrophobicContact CD-CE2 4.4Å; K236-F240 HydrophobicContact CG-CD2 4.08Å; K236-F240 HydrophobicContact CG-CE2 4.05Å; K236-F240 HydrophobicContact CG-CG 4.48Å; K236-F240 HydrophobicContact CG-CZ 4.4Å; K236-F240 WeakPolarHBondContact O-CB 3.22Å; K236-F240 WeakPolarHBondContact O-CG 3.43Å; K236-F240 PolarHBondContact O-N 3.27Å; K236-E270 WeakPolarHBondContact CE-OE1 3.21Å; K236-E270 IonicContact NZ-OE1 3.73Å; K236-E270 PolarHBondContact NZ-OE1 2.57Å
237I96.3Very high93.7Very high47 Ų4730.1 Ų30.124%0.24116%0.161CC..Hα-helixtrans-57.5-46.9175.9-71.6165.5000110.4V174 I207 C209 Q233 I234 I235 F240 A241V174-I237 HydrophobicContact CG2-CG2 3.74Å; I207-I237 HydrophobicContact CD1-CD1 3.93Å; I207-I237 HydrophobicContact CD1-CG2 4.44Å; I207-I237 HydrophobicContact CG1-CD1 4.02Å; I207-I237 WeakPolarHBondContact O-CD1 2.93Å; C209-I237 VanDerWaalsContact SG-CD1 3.55Å; Q233-I237 WeakPolarHBondContact O-CG1 3.46Å; Q233-I237 PolarHBondContact O-N 2.75Å; Q233-I237 VanDerWaalsContact O-N 3.08Å; I234-I237 PolarHBondContact O-N 2.94Å; I235-I237 PolarHBondContact O-N 3.06Å; I237-F240 PolarHBondContact O-N 3.07Å; I237-A241 PolarHBondContact O-N 3.32Å; I237-A241 VanDerWaalsContact O-N 3.11Å
238G96.2Very high93.5Very high24 Ų2431.7 Ų31.725%0.24717%0.169CC..Hα-helixtrans-65-42.2178.700000113.3I234 I235 K236 F240I234-G238 PolarHBondContact O-N 3.37Å; I235-G238 PolarHBondContact O-N 3.14Å; K236-G238 VanDerWaalsContact C-N 3.32Å; K236-G238 PolarHBondContact O-N 3.07Å; G238-F240 VanDerWaalsContact C-N 3.28Å; G238-F240 PolarHBondContact O-N 2.86Å
239L96.4Very high93.4Very high5 Ų535.3 Ų35.33%0.02619%0.186CC..Hα-helixtrans-65.5-31.3178.5-72.9177000112.7W132 I235 K236 F352 A368 A371 N375W132-L239 HydrophobicContact CH2-CD2 4.37Å; W132-L239 HydrophobicContact CZ2-CD2 4.41Å; I235-L239 HydrophobicContact CG2-CD1 3.73Å; I235-L239 HydrophobicContact CG2-CG 4.07Å; I235-L239 WeakPolarHBondContact O-CG 3.38Å; I235-L239 PolarHBondContact O-N 3.14Å; K236-L239 PolarHBondContact O-N 3.42Å; L239-F352 HydrophobicContact CD1-CE1 4.3Å; L239-F352 HydrophobicContact CD1-CE2 4.03Å; L239-F352 HydrophobicContact CD1-CZ 3.73Å; L239-F352 HydrophobicContact CD2-CE2 4.01Å; L239-F352 HydrophobicContact CD2-CZ 4.03Å; L239-F352 HydrophobicContact CG-CZ 4.32Å; L239-A368 HydrophobicContact CD1-CB 3.78Å; L239-A371 HydrophobicContact CB-CB 4.14Å; L239-N375 PolarHBondContact O-ND2 3.36Å; L239-N375 PolarHBondContact O-OD1 3.06Å
240F96.1Very high93.6Very high21 Ų2134.7 Ų34.79%0.09218%0.177CC..Hα-helixtrans-97.2-4.6-174.8-72.27.7000113.5K236 I237 G238 D242 I243 P269 E270 L367 A371K236-F240 HydrophobicContact CD-CE2 4.4Å; K236-F240 HydrophobicContact CG-CD2 4.08Å; K236-F240 HydrophobicContact CG-CE2 4.05Å; K236-F240 HydrophobicContact CG-CG 4.48Å; K236-F240 HydrophobicContact CG-CZ 4.4Å; K236-F240 WeakPolarHBondContact O-CB 3.22Å; K236-F240 WeakPolarHBondContact O-CG 3.43Å; K236-F240 PolarHBondContact O-N 3.27Å; I237-F240 PolarHBondContact O-N 3.07Å; G238-F240 VanDerWaalsContact C-N 3.28Å; G238-F240 PolarHBondContact O-N 2.86Å; F240-D242 PolarHBondContact O-N 3.1Å; F240-D242 VanDerWaalsContact O-N 3.14Å; F240-I243 HydrophobicContact CD1-CD1 3.58Å; F240-I243 HydrophobicContact CE1-CD1 4.06Å; F240-I243 HydrophobicContact CG-CD1 4.24Å; F240-I243 PolarHBondContact O-N 3.44Å; F240-P269 HydrophobicContact CB-CB 4.01Å; F240-P269 HydrophobicContact CB-CG 4.39Å; F240-P269 HydrophobicContact CD2-CB 3.39Å; F240-P269 HydrophobicContact CD2-CG 4.05Å; F240-P269 HydrophobicContact CE2-CB 3.9Å; F240-P269 HydrophobicContact CG-CB 3.81Å; F240-E270 VanDerWaalsContact CE2-CD 3.44Å; F240-E270 HydrophobicContact CE2-CG 3.72Å; F240-E270 HydrophobicContact CZ-CG 3.96Å; F240-L367 HydrophobicContact CE1-CG 4.41Å; F240-L367 HydrophobicContact CZ-CD1 4.06Å; F240-L367 HydrophobicContact CZ-CD2 3.85Å; F240-L367 HydrophobicContact CZ-CG 3.87Å; F240-A371 HydrophobicContact CD1-CB 4.11Å; F240-A371 HydrophobicContact CE1-CB 3.75Å
241A92Very high93.5Very high35 Ų3534.6 Ų34.629%0.28918%0.177SC..THydrogen-bonded Turntrans-54.4-36-176.900000113.1I237 R247I237-A241 PolarHBondContact O-N 3.32Å; I237-A241 VanDerWaalsContact O-N 3.11Å; A241-R247 WeakPolarHBondContact O-CD 3.37Å
242D89.4Confident93.3Very high84 Ų8434.7 Ų34.745%0.44918%0.178SC..THydrogen-bonded Turntrans-101.53.1-179.3-63.3-40.5000113.9F240 E244F240-D242 PolarHBondContact O-N 3.1Å; F240-D242 VanDerWaalsContact O-N 3.14Å; D242-E244 PolarHBondContact O-N 3.24Å; D242-E244 VanDerWaalsContact O-N 3.1Å
243I94.3Very high93.3Very high2 Ų234.3 Ų34.31%0.0118%0.181CC..  trans-89.354.6175.9-46179.8000108.9F240 P269 L272 L273 A371 F374F240-I243 HydrophobicContact CD1-CD1 3.58Å; F240-I243 HydrophobicContact CE1-CD1 4.06Å; F240-I243 HydrophobicContact CG-CD1 4.24Å; F240-I243 PolarHBondContact O-N 3.44Å; I243-P269 HydrophobicContact CB-CB 4.3Å; I243-P269 HydrophobicContact CG2-CB 4.32Å; I243-L272 HydrophobicContact CG2-CB 4.04Å; I243-L273 HydrophobicContact CD1-CD1 4.18Å; I243-L273 HydrophobicContact CD1-CD2 4.46Å; I243-A371 HydrophobicContact CD1-CB 4.04Å; I243-F374 HydrophobicContact CB-CE1 4.32Å; I243-F374 HydrophobicContact CD1-CD1 4.22Å; I243-F374 HydrophobicContact CG1-CD1 3.67Å; I243-F374 HydrophobicContact CG1-CE1 3.75Å
244E90.8Very high93.2Very high54 Ų5432 Ų3225%0.25217%0.171SC..SBendtrans-146.5136.5-177.4-167.9-168.7156.700109.7D242 S246 R247 N248D242-E244 PolarHBondContact O-N 3.24Å; D242-E244 VanDerWaalsContact O-N 3.1Å; E244-S246 VanDerWaalsContact C-N 3.29Å; E244-S246 PolarHBondContact O-N 3.03Å; E244-S246 PolarHBondContact OE1-OG 3.17Å; E244-R247 PolarHBondContact O-N 2.83Å; E244-R247 VanDerWaalsContact O-N 3.16Å; E244-R247 IonicContact OE2-NE 3.75Å; E244-N248 PolarHBondContact O-N 3Å
245L89.9Confident93Very high5 Ų534.3 Ų34.33%0.02618%0.183CC..THydrogen-bonded Turntrans-62.5-33.8-174.9-82.774.9000113.2R247 N248 E249 L251 L261 L264 M265 L272 L393L245-R247 PolarHBondContact O-N 3.35Å; L245-N248 CarbonylContact O-C 3.5Å; L245-N248 PolarHBondContact O-N 2.88Å; L245-E249 PolarHBondContact O-N 2.77Å; L245-L251 HydrophobicContact CD1-CB 3.98Å; L245-L251 HydrophobicContact CD1-CD1 4.29Å; L245-L251 HydrophobicContact CG-CB 3.9Å; L245-L261 HydrophobicContact CD2-CD1 3.55Å; L245-L261 HydrophobicContact CD2-CG 4.4Å; L245-L264 HydrophobicContact CD1-CD2 4.46Å; L245-L264 HydrophobicContact CD1-CG 4.15Å; L245-L264 HydrophobicContact CD2-CB 4.44Å; L245-L264 HydrophobicContact CD2-CD2 3.85Å; L245-L264 HydrophobicContact CD2-CG 4.01Å; L245-M265 HydrophobicContact CD2-CG 3.94Å; L245-L272 HydrophobicContact CD1-CD1 3.9Å; L245-L272 HydrophobicContact CD1-CD2 3.89Å; L245-L393 HydrophobicContact CB-CD2 3.7Å; L245-L393 HydrophobicContact CD2-CD2 4.18Å
246S87.5Confident92.7Very high35 Ų3540.1 Ų40.125%0.24520%0.204CC..THydrogen-bonded Turntrans-65.7-24.5179.567.90000113E244E244-S246 VanDerWaalsContact C-N 3.29Å; E244-S246 PolarHBondContact O-N 3.03Å; E244-S246 PolarHBondContact OE1-OG 3.17Å
247R86.9Confident92.3Very high142 Ų14245.5 Ų45.554%0.53624%0.236SC..THydrogen-bonded Turntrans-101.8-29.7179.1-67.7173.1-178.2-85.5-2.2112.5A241 E244 L245A241-R247 WeakPolarHBondContact O-CD 3.37Å; E244-R247 PolarHBondContact O-N 2.83Å; E244-R247 VanDerWaalsContact O-N 3.16Å; E244-R247 IonicContact OE2-NE 3.75Å; L245-R247 PolarHBondContact O-N 3.35Å
248N91.3Very high92Very high32 Ų3247.2 Ų47.217%0.17127%0.265CS..  trans-132.785.7179.7-172.3-9.7000110.7E244 L245 A250 L251 F374E244-N248 PolarHBondContact O-N 3Å; L245-N248 CarbonylContact O-C 3.5Å; L245-N248 PolarHBondContact O-N 2.88Å; N248-A250 PolarHBondContact O-N 3.33Å; N248-A250 VanDerWaalsContact OD1-CB 3.32Å; N248-A250 WeakPolarHBondContact OD1-CB 3.38Å; N248-A250 PolarHBondContact OD1-N 3.19Å; N248-L251 HydrophobicContact CB-CD1 4.09Å; N248-L251 HydrophobicContact CB-CG 4.32Å; N248-L251 VanDerWaalsContact O-CB 3.28Å; N248-L251 WeakPolarHBondContact O-CB 3.25Å; N248-L251 WeakPolarHBondContact O-CG 3.21Å; N248-L251 PolarHBondContact O-N 3.09Å; N248-F374 WeakPolarHBondContact ND2-CZ 3.26Å
249E90.6Very high91.8Very high81 Ų8148.9 Ų48.938%0.37927%0.267SS..G310 helixtrans-59.8-20.4-179.2-57.1-179.5147.200113.2L245 L251 A252 K382 W390 L393L245-E249 PolarHBondContact O-N 2.77Å; E249-L251 PolarHBondContact O-N 3.36Å; E249-A252 VanDerWaalsContact O-CB 3.27Å; E249-A252 WeakPolarHBondContact O-CB 3.44Å; E249-A252 PolarHBondContact O-N 2.9Å; E249-A252 VanDerWaalsContact O-N 3.08Å; E249-K382 HydrophobicContact CB-CD 4.18Å; E249-K382 IonicContact OE1-NZ 3.7Å; E249-K382 WeakPolarHBondContact OE2-CD 3.32Å; E249-K382 WeakPolarHBondContact OE2-CE 3.45Å; E249-K382 IonicContact OE2-NZ 3.68Å; E249-K382 PolarHBondContact OE2-NZ 3.15Å; E249-W390 HydrophobicContact CB-CZ3 4.27Å; E249-L393 HydrophobicContact CB-CD1 4.34Å; E249-L393 HydrophobicContact CG-CD1 3.95Å
250A92.5Very high91.5Very high15 Ų1552 Ų5212%0.12429%0.286CS..G310 helixtrans-65-20.9176.800000112.3N248 A252 A253 L380N248-A250 PolarHBondContact O-N 3.33Å; N248-A250 VanDerWaalsContact OD1-CB 3.32Å; N248-A250 WeakPolarHBondContact OD1-CB 3.38Å; N248-A250 PolarHBondContact OD1-N 3.19Å; A250-A252 PolarHBondContact O-N 3.2Å; A250-A253 WeakPolarHBondContact O-CB 3.34Å; A250-A253 PolarHBondContact O-N 3.39Å; A250-L380 HydrophobicContact CB-CB 3.79Å; A250-L380 WeakPolarHBondContact O-CD1 3.36Å
251L94.4Very high91.2Very high0 Ų051.6 Ų51.60%028%0.284CS..G310 helixtrans-58.6-22.9171.4-75169.3000113L245 N248 E249 A253 L254 F374 L380L245-L251 HydrophobicContact CD1-CB 3.98Å; L245-L251 HydrophobicContact CD1-CD1 4.29Å; L245-L251 HydrophobicContact CG-CB 3.9Å; N248-L251 HydrophobicContact CB-CD1 4.09Å; N248-L251 HydrophobicContact CB-CG 4.32Å; N248-L251 VanDerWaalsContact O-CB 3.28Å; N248-L251 WeakPolarHBondContact O-CB 3.25Å; N248-L251 WeakPolarHBondContact O-CG 3.21Å; N248-L251 PolarHBondContact O-N 3.09Å; E249-L251 PolarHBondContact O-N 3.36Å; L251-A253 PolarHBondContact O-N 2.96Å; L251-A253 VanDerWaalsContact O-N 3.1Å; L251-L254 HydrophobicContact CD2-CD1 3.63Å; L251-L254 VanDerWaalsContact O-CB 3.23Å; L251-L254 WeakPolarHBondContact O-CB 3.39Å; L251-L254 VanDerWaalsContact O-CG 3.28Å; L251-L254 WeakPolarHBondContact O-CG 3.49Å; L251-L254 PolarHBondContact O-N 2.89Å; L251-F374 HydrophobicContact CD1-CZ 4.26Å; L251-F374 HydrophobicContact CD2-CE2 3.6Å; L251-F374 HydrophobicContact CD2-CZ 3.6Å; L251-F374 HydrophobicContact CG-CE2 4.46Å; L251-F374 HydrophobicContact CG-CZ 4.04Å; L251-L380 HydrophobicContact CD2-CD1 4.07Å
252A93.4Very high91Very high1 Ų154.7 Ų54.71%0.00829%0.293CS..G310 helixtrans-59.6-20.5173.300000113E249 A250 L254 L255 L261 P383 W390E249-A252 VanDerWaalsContact O-CB 3.27Å; E249-A252 WeakPolarHBondContact O-CB 3.44Å; E249-A252 PolarHBondContact O-N 2.9Å; E249-A252 VanDerWaalsContact O-N 3.08Å; A250-A252 PolarHBondContact O-N 3.2Å; A252-L254 PolarHBondContact O-N 3.38Å; A252-L254 VanDerWaalsContact O-N 3.13Å; A252-L255 WeakPolarHBondContact O-CB 3.37Å; A252-L255 WeakPolarHBondContact O-CG 3.4Å; A252-L255 PolarHBondContact O-N 3.3Å; A252-L255 VanDerWaalsContact O-N 3.13Å; A252-L261 HydrophobicContact CB-CD1 4.22Å; A252-P383 HydrophobicContact CB-CG 4.33Å; A252-W390 HydrophobicContact CB-CH2 3.63Å; A252-W390 HydrophobicContact CB-CZ3 3.73Å
253A93.8Very high91Very high23 Ų2355 Ų5519%0.1929%0.292CS..G310 helixtrans-62.1-14.6171.400000113.8A250 L251 L255 L380 T381 P383A250-A253 WeakPolarHBondContact O-CB 3.34Å; A250-A253 PolarHBondContact O-N 3.39Å; L251-A253 PolarHBondContact O-N 2.96Å; L251-A253 VanDerWaalsContact O-N 3.1Å; A253-L255 VanDerWaalsContact C-N 3.3Å; A253-L380 HydrophobicContact CB-CB 4.48Å; A253-L380 HydrophobicContact CB-CD2 4.35Å; A253-T381 WeakPolarHBondContact CB-O 3.26Å; A253-P383 HydrophobicContact CB-CG 4.08Å
254L95.2Very high90.9Very high5 Ų555 Ų553%0.02629%0.291CS..G310 helixtrans-83.8-3.9177.7-55.2-179.4000113.1L251 A252 R256 L264 R275 W276 F279 L380L251-L254 HydrophobicContact CD2-CD1 3.63Å; L251-L254 VanDerWaalsContact O-CB 3.23Å; L251-L254 WeakPolarHBondContact O-CB 3.39Å; L251-L254 VanDerWaalsContact O-CG 3.28Å; L251-L254 WeakPolarHBondContact O-CG 3.49Å; L251-L254 PolarHBondContact O-N 2.89Å; A252-L254 PolarHBondContact O-N 3.38Å; A252-L254 VanDerWaalsContact O-N 3.13Å; L254-R256 PolarHBondContact O-N 2.99Å; L254-L264 HydrophobicContact CB-CD1 4.42Å; L254-L264 HydrophobicContact CB-CD2 4.4Å; L254-R275 HydrophobicContact CB-CG 4.12Å; L254-R275 HydrophobicContact CD1-CB 4.49Å; L254-R275 PolarHBondContact O-NE 3.37Å; L254-R275 PolarHBondContact O-NH2 3.06Å; L254-W276 HydrophobicContact CD1-CB 3.92Å; L254-W276 HydrophobicContact CD2-CB 4.35Å; L254-F279 HydrophobicContact CD2-CB 3.64Å; L254-F279 HydrophobicContact CD2-CD1 4.3Å; L254-F279 HydrophobicContact CD2-CD2 4.23Å; L254-F279 HydrophobicContact CD2-CG 3.81Å; L254-L380 HydrophobicContact CD1-CD1 4.41Å; L254-L380 HydrophobicContact CD2-CD1 4.16Å; L254-L380 HydrophobicContact CD2-CD2 4.02Å; L254-L380 HydrophobicContact CG-CD1 4.12Å
255L92.4Very high90.8Very high49 Ų4954.8 Ų54.826%0.25729%0.291SS..PPolyproline II helixtrans-54.6134174.2-79169.7000110.7A252 A253 T260 L261 L264 I388A252-L255 WeakPolarHBondContact O-CB 3.37Å; A252-L255 WeakPolarHBondContact O-CG 3.4Å; A252-L255 PolarHBondContact O-N 3.3Å; A252-L255 VanDerWaalsContact O-N 3.13Å; A253-L255 VanDerWaalsContact C-N 3.3Å; L255-T260 WeakPolarHBondContact CD2-O 3.41Å; L255-L261 HydrophobicContact CD1-CD1 4.3Å; L255-L264 HydrophobicContact CD2-CB 3.85Å; L255-L264 HydrophobicContact CD2-CD2 3.88Å; L255-L264 HydrophobicContact CD2-CG 4.47Å; L255-L264 HydrophobicContact CG-CD2 3.78Å; L255-I388 HydrophobicContact CD1-CD1 3.98Å; L255-I388 HydrophobicContact CD1-CG1 4.31Å
256R91.3Very high90.9Very high124 Ų12459.4 Ų59.447%0.46831%0.311SS..PPolyproline II helixtrans-98.2159.6175.1-78.2166.6-173.11642109.2L254 G258 E259 R275L254-R256 PolarHBondContact O-N 2.99Å; R256-G258 PolarHBondContact O-N 3.13Å; R256-E259 HydrophobicContact CB-CG 4.2Å; R256-E259 WeakPolarHBondContact CD-OE1 3.35Å; R256-E259 IonicContact NH1-OE1 3.38Å; R256-E259 PolarHBondContact O-N 3.04Å; R256-R275 VanDerWaalsContact CD-NH2 3.32Å
257D88.6Confident91.1Very high172 Ų17259.4 Ų59.492%0.9231%0.308SS*.THydrogen-bonded Turntrans-54.3123.8175.9-63.7-28.9000111.3E259D257-E259 VanDerWaalsContact C-N 3.33Å
258G89.1Confident91.4Very high83 Ų8353.5 Ų53.586%0.85629%0.289SS*.THydrogen-bonded Turntrans83.8-2.3179.100000115.6R256R256-G258 PolarHBondContact O-N 3.13Å
259E91.2Very high91.6Very high59 Ų5952.9 Ų52.928%0.27629%0.287SS..  trans-91.3146.8173.8-68.3-173.4-159.600112.1R256 D257 E263 R275R256-E259 HydrophobicContact CB-CG 4.2Å; R256-E259 WeakPolarHBondContact CD-OE1 3.35Å; R256-E259 IonicContact NH1-OE1 3.38Å; R256-E259 PolarHBondContact O-N 3.04Å; D257-E259 VanDerWaalsContact C-N 3.33Å; E259-E263 WeakPolarHBondContact CA-OE2 3.34Å; E259-R275 VanDerWaalsContact CD-NH2 3.27Å; E259-R275 IonicContact OE1-CZ 2.71Å; E259-R275 IonicContact OE1-NH1 3.78Å; E259-R275 IonicContact OE1-NH2 2.78Å; E259-R275 PolarHBondContact OE1-NH2 3.03Å; E259-R275 IonicContact OE2-CZ 3.16Å; E259-R275 IonicContact OE2-NH1 2.83Å; E259-R275 PolarHBondContact OE2-NH1 3.3Å; E259-R275 IonicContact OE2-NH2 2.97Å; E259-R275 PolarHBondContact OE2-NH2 3.42Å
260T90Very high91.8Very high69 Ų6951.5 Ų51.542%0.42328%0.28SS..  trans-92.2161.7175.973.30000112.3L255 E262 E263 L264L255-T260 WeakPolarHBondContact CD2-O 3.41Å; T260-E262 PolarHBondContact O-N 3.17Å; T260-E263 PolarHBondContact N-OE2 3.17Å; T260-E263 PolarHBondContact O-N 3.21Å; T260-E263 VanDerWaalsContact O-N 3.17Å; T260-E263 WeakPolarHBondContact OG1-CG 3.21Å; T260-E263 PolarHBondContact OG1-N 3.27Å; T260-L264 PolarHBondContact O-N 3.29Å
261L89.8Confident91.9Very high13 Ų1355.5 Ų55.57%0.06830%0.296CS..Hα-helixtrans-57.1-40.3173.3-170.367.6000111.6L245 A252 L255 E263 L264 M265 I388 D389 L392 L393L245-L261 HydrophobicContact CD2-CD1 3.55Å; L245-L261 HydrophobicContact CD2-CG 4.4Å; A252-L261 HydrophobicContact CB-CD1 4.22Å; L255-L261 HydrophobicContact CD1-CD1 4.3Å; L261-E263 VanDerWaalsContact C-N 3.33Å; L261-E263 PolarHBondContact O-N 3.4Å; L261-L264 WeakPolarHBondContact O-CB 3.46Å; L261-L264 PolarHBondContact O-N 2.83Å; L261-M265 HydrophobicContact CG-CG 4.5Å; L261-M265 HydrophobicContact CG-SD 4.23Å; L261-M265 VanDerWaalsContact O-CG 3.27Å; L261-M265 WeakPolarHBondContact O-CG 3.28Å; L261-M265 PolarHBondContact O-N 3.06Å; L261-I388 HydrophobicContact CD1-CG2 4.24Å; L261-I388 HydrophobicContact CD2-CG2 3.84Å; L261-I388 HydrophobicContact CG-CG2 4.48Å; L261-D389 WeakPolarHBondContact CD2-O 3.31Å; L261-L392 HydrophobicContact CD2-CB 4.24Å; L261-L392 HydrophobicContact CD2-CD1 4.49Å; L261-L393 HydrophobicContact CD1-CD2 4.44Å; L261-L393 HydrophobicContact CD2-CD2 3.89Å; L261-L393 HydrophobicContact CD2-CG 4.11Å; L261-L393 HydrophobicContact CG-CD2 4.31Å
262E88.3Confident92Very high101 Ų10155.7 Ų55.747%0.47230%0.297SS..Hα-helixtrans-63.3-36177.7-60.7-178.7154.200112.9T260 L264 M265 K266 L392T260-E262 PolarHBondContact O-N 3.17Å; E262-L264 VanDerWaalsContact C-N 3.34Å; E262-M265 PolarHBondContact O-N 2.99Å; E262-K266 VanDerWaalsContact O-CG 3.28Å; E262-K266 WeakPolarHBondContact O-CG 3.5Å; E262-K266 PolarHBondContact O-N 3.14Å; E262-L392 HydrophobicContact CG-CD1 3.98Å
263E89.8Confident92.2Very high91 Ų9155.7 Ų55.743%0.42530%0.297SS..Hα-helixtrans-66.9-38.9175.2-72.7175.5153.300111.4E259 T260 L261 K266E259-E263 WeakPolarHBondContact CA-OE2 3.34Å; T260-E263 PolarHBondContact N-OE2 3.17Å; T260-E263 PolarHBondContact O-N 3.21Å; T260-E263 VanDerWaalsContact O-N 3.17Å; T260-E263 WeakPolarHBondContact OG1-CG 3.21Å; T260-E263 PolarHBondContact OG1-N 3.27Å; L261-E263 VanDerWaalsContact C-N 3.33Å; L261-E263 PolarHBondContact O-N 3.4Å; E263-K266 PolarHBondContact O-N 3.27Å
264L92.1Very high92.4Very high0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-67.7-39174.7-174.462.1000111.8L245 L254 L255 T260 L261 E262 K266 L267 L272L245-L264 HydrophobicContact CD1-CD2 4.46Å; L245-L264 HydrophobicContact CD1-CG 4.15Å; L245-L264 HydrophobicContact CD2-CB 4.44Å; L245-L264 HydrophobicContact CD2-CD2 3.85Å; L245-L264 HydrophobicContact CD2-CG 4.01Å; L254-L264 HydrophobicContact CB-CD1 4.42Å; L254-L264 HydrophobicContact CB-CD2 4.4Å; L255-L264 HydrophobicContact CD2-CB 3.85Å; L255-L264 HydrophobicContact CD2-CD2 3.88Å; L255-L264 HydrophobicContact CD2-CG 4.47Å; L255-L264 HydrophobicContact CG-CD2 3.78Å; T260-L264 PolarHBondContact O-N 3.29Å; L261-L264 WeakPolarHBondContact O-CB 3.46Å; L261-L264 PolarHBondContact O-N 2.83Å; E262-L264 VanDerWaalsContact C-N 3.34Å; L264-K266 PolarHBondContact O-N 3.31Å; L264-L267 HydrophobicContact CD1-CD1 3.92Å; L264-L267 WeakPolarHBondContact O-CB 3.43Å; L264-L267 PolarHBondContact O-N 3.24Å; L264-L272 HydrophobicContact CD1-CD2 3.6Å; L264-L272 HydrophobicContact CG-CD2 4.1Å
265M89.7Confident92.5Very high51 Ų5157 Ų5725%0.25130%0.3SS..Hα-helixtrans-64.4-22175.7-71.5172.173.300113.2L245 L261 E262 L267 L392 L393 H418L245-M265 HydrophobicContact CD2-CG 3.94Å; L261-M265 HydrophobicContact CG-CG 4.5Å; L261-M265 HydrophobicContact CG-SD 4.23Å; L261-M265 VanDerWaalsContact O-CG 3.27Å; L261-M265 WeakPolarHBondContact O-CG 3.28Å; L261-M265 PolarHBondContact O-N 3.06Å; E262-M265 PolarHBondContact O-N 2.99Å; M265-L267 VanDerWaalsContact C-N 3.28Å; M265-L267 PolarHBondContact O-N 3.03Å; M265-L392 VanDerWaalsContact CE-O 3.22Å; M265-L392 WeakPolarHBondContact CE-O 3.36Å; M265-L392 HydrophobicContact SD-CB 4.4Å; M265-L393 HydrophobicContact CE-CD2 4.36Å; M265-L393 HydrophobicContact CG-CD2 4.31Å; M265-L393 HydrophobicContact SD-CD2 3.94Å; M265-H418 PolarHBondContact O-CD2 2.99Å; M265-H418 VanDerWaalsContact O-CD2 3.3Å; M265-H418 PolarHBondContact O-CE1 3.01Å; M265-H418 PolarHBondContact O-ND1 2.86Å; M265-H418 PolarHBondContact O-NE2 2.93Å
266K90.3Very high92.8Very high101 Ų10154.7 Ų54.744%0.43929%0.287SS..THydrogen-bonded Turntrans-78.8-10.4177.1-72.1166.1-168.5171.80113.5E262 E263 L264 H418 A421E262-K266 VanDerWaalsContact O-CG 3.28Å; E262-K266 WeakPolarHBondContact O-CG 3.5Å; E262-K266 PolarHBondContact O-N 3.14Å; E263-K266 PolarHBondContact O-N 3.27Å; L264-K266 PolarHBondContact O-N 3.31Å; K266-H418 PolarHBondContact O-CD2 3.32Å; K266-A421 HydrophobicContact CG-CB 3.97Å
267L92.6Very high93.1Very high35 Ų3548.8 Ų48.818%0.18327%0.265CS..SBendtrans-72.2141.2179.7-65.5-168000111.3L264 M265 E271 L272 H418L264-L267 HydrophobicContact CD1-CD1 3.92Å; L264-L267 WeakPolarHBondContact O-CB 3.43Å; L264-L267 PolarHBondContact O-N 3.24Å; M265-L267 VanDerWaalsContact C-N 3.28Å; M265-L267 PolarHBondContact O-N 3.03Å; L267-E271 HydrophobicContact CB-CB 4.01Å; L267-E271 HydrophobicContact CD1-CB 4.28Å; L267-E271 HydrophobicContact CD2-CB 4.25Å; L267-E271 HydrophobicContact CG-CB 4.42Å; L267-L272 HydrophobicContact CB-CD2 4.09Å; L267-L272 HydrophobicContact CB-CG 3.86Å; L267-L272 HydrophobicContact CD1-CD2 4.14Å; L267-H418 PolarHBondContact O-NE2 2.73Å
268S93.2Very high93.6Very high19 Ų1941.1 Ų41.113%0.13322%0.224CC..  trans-64157.9167.559.10000111.3E270 E271 L272S268-E270 PolarHBondContact O-N 2.86Å; S268-E271 WeakPolarHBondContact CB-OE2 3.43Å; S268-E271 PolarHBondContact N-OE2 3.34Å; S268-E271 PolarHBondContact O-N 3.31Å; S268-E271 VanDerWaalsContact O-N 3.07Å; S268-E271 VanDerWaalsContact OG-CD 3.25Å; S268-E271 VanDerWaalsContact OG-CG 3.24Å; S268-E271 WeakPolarHBondContact OG-CG 3.37Å; S268-E271 PolarHBondContact OG-N 2.8Å; S268-E271 PolarHBondContact OG-OE2 3.14Å; S268-L272 PolarHBondContact O-N 3Å
269P95.2Very high94Very high19 Ų1940 Ų4012%0.12320%0.196CC..Hα-helixtrans-53.1-37.6173.4-29.337.4000113.4F240 I243 L272 L273 N417F240-P269 HydrophobicContact CB-CB 4.01Å; F240-P269 HydrophobicContact CB-CG 4.39Å; F240-P269 HydrophobicContact CD2-CB 3.39Å; F240-P269 HydrophobicContact CD2-CG 4.05Å; F240-P269 HydrophobicContact CE2-CB 3.9Å; F240-P269 HydrophobicContact CG-CB 3.81Å; I243-P269 HydrophobicContact CB-CB 4.3Å; I243-P269 HydrophobicContact CG2-CB 4.32Å; P269-L272 PolarHBondContact O-N 2.93Å; P269-L273 VanDerWaalsContact O-CB 3.3Å; P269-L273 WeakPolarHBondContact O-CB 3.44Å; P269-L273 PolarHBondContact O-N 2.72Å; P269-N417 WeakPolarHBondContact CD-OD1 3.37Å
270E94.2Very high94.4Very high52 Ų5237.4 Ų37.424%0.24318%0.184CC..Hα-helixtrans-63.8-42.6176.3-66.191.2156.700112.6K236 F240 S268 L273 L274 L367K236-E270 WeakPolarHBondContact CE-OE1 3.21Å; K236-E270 IonicContact NZ-OE1 3.73Å; K236-E270 PolarHBondContact NZ-OE1 2.57Å; F240-E270 VanDerWaalsContact CE2-CD 3.44Å; F240-E270 HydrophobicContact CE2-CG 3.72Å; F240-E270 HydrophobicContact CZ-CG 3.96Å; S268-E270 PolarHBondContact O-N 2.86Å; E270-L273 PolarHBondContact O-N 3.03Å; E270-L274 WeakPolarHBondContact O-CB 3.45Å; E270-L274 PolarHBondContact O-N 3.06Å; E270-L367 HydrophobicContact CG-CD1 4.15Å; E270-L367 HydrophobicContact CG-CD2 3.85Å
271E95Very high94.8Very high99 Ų9934.2 Ų34.246%0.46316%0.164SC..Hα-helixtrans-69.4-40.1178.1-72.5166.3136.700111.4L267 S268 L273 L274 R275L267-E271 HydrophobicContact CB-CB 4.01Å; L267-E271 HydrophobicContact CD1-CB 4.28Å; L267-E271 HydrophobicContact CD2-CB 4.25Å; L267-E271 HydrophobicContact CG-CB 4.42Å; S268-E271 WeakPolarHBondContact CB-OE2 3.43Å; S268-E271 PolarHBondContact N-OE2 3.34Å; S268-E271 PolarHBondContact O-N 3.31Å; S268-E271 VanDerWaalsContact O-N 3.07Å; S268-E271 VanDerWaalsContact OG-CD 3.25Å; S268-E271 VanDerWaalsContact OG-CG 3.24Å; S268-E271 WeakPolarHBondContact OG-CG 3.37Å; S268-E271 PolarHBondContact OG-N 2.8Å; S268-E271 PolarHBondContact OG-OE2 3.14Å; E271-L273 VanDerWaalsContact C-N 3.33Å; E271-L274 PolarHBondContact O-N 3.47Å; E271-R275 VanDerWaalsContact O-CB 3.24Å; E271-R275 WeakPolarHBondContact O-CB 3.33Å; E271-R275 PolarHBondContact O-N 3.18Å
272L96.6Very high95.1Very high4 Ų438.1 Ų38.12%0.02118%0.182CC..Hα-helixtrans-60.5-43.4172.2-76.5172.5000111.3I243 L245 L264 L267 S268 P269 R275 W276I243-L272 HydrophobicContact CG2-CB 4.04Å; L245-L272 HydrophobicContact CD1-CD1 3.9Å; L245-L272 HydrophobicContact CD1-CD2 3.89Å; L264-L272 HydrophobicContact CD1-CD2 3.6Å; L264-L272 HydrophobicContact CG-CD2 4.1Å; L267-L272 HydrophobicContact CB-CD2 4.09Å; L267-L272 HydrophobicContact CB-CG 3.86Å; L267-L272 HydrophobicContact CD1-CD2 4.14Å; S268-L272 PolarHBondContact O-N 3Å; P269-L272 PolarHBondContact O-N 2.93Å; L272-R275 WeakPolarHBondContact O-CB 3.09Å; L272-R275 PolarHBondContact O-N 2.58Å; L272-W276 WeakPolarHBondContact O-CB 3.25Å; L272-W276 PolarHBondContact O-N 2.86Å
273L97.7Very high95.5Very high0 Ų037.9 Ų37.90%018%0.184CC..Hα-helixtrans-67.4-39.1178.5-168.966.6000112.3I243 P269 E270 E271 R275 W276 A277 F292 L367 V370 A371 F374I243-L273 HydrophobicContact CD1-CD1 4.18Å; I243-L273 HydrophobicContact CD1-CD2 4.46Å; P269-L273 VanDerWaalsContact O-CB 3.3Å; P269-L273 WeakPolarHBondContact O-CB 3.44Å; P269-L273 PolarHBondContact O-N 2.72Å; E270-L273 PolarHBondContact O-N 3.03Å; E271-L273 VanDerWaalsContact C-N 3.33Å; L273-R275 VanDerWaalsContact C-N 3.31Å; L273-W276 HydrophobicContact CD1-CD2 4.41Å; L273-W276 HydrophobicContact CD1-CE3 3.74Å; L273-W276 HydrophobicContact CD1-CZ3 4.19Å; L273-W276 HydrophobicContact CG-CE3 4.49Å; L273-W276 WeakPolarHBondContact O-CB 3.49Å; L273-W276 PolarHBondContact O-N 3.08Å; L273-A277 WeakPolarHBondContact O-CB 3.39Å; L273-A277 PolarHBondContact O-N 3.46Å; L273-F292 HydrophobicContact CB-CE2 4.49Å; L273-F292 HydrophobicContact CD2-CE2 4.26Å; L273-F292 HydrophobicContact CG-CE2 4.26Å; L273-F292 HydrophobicContact CG-CZ 4.25Å; L273-L367 HydrophobicContact CD2-CD1 3.81Å; L273-V370 HydrophobicContact CD1-CG1 3.91Å; L273-V370 HydrophobicContact CD2-CB 4.03Å; L273-V370 HydrophobicContact CD2-CG1 3.74Å; L273-V370 HydrophobicContact CG-CB 4.48Å; L273-V370 HydrophobicContact CG-CG1 3.65Å; L273-A371 HydrophobicContact CD2-CB 3.91Å; L273-F374 HydrophobicContact CD1-CB 3.52Å; L273-F374 HydrophobicContact CD1-CD2 4.26Å; L273-F374 HydrophobicContact CD1-CG 3.94Å
274L97.6Very high95.9Very high40 Ų4035 Ų3521%0.20917%0.174CC..Hα-helixtrans-63.9-39.4172.6-178.861.8000111.4E270 E271 A277 N278 I289 N290 F292E270-L274 WeakPolarHBondContact O-CB 3.45Å; E270-L274 PolarHBondContact O-N 3.06Å; E271-L274 PolarHBondContact O-N 3.47Å; L274-A277 PolarHBondContact O-N 3.27Å; L274-N278 WeakPolarHBondContact O-CB 3.28Å; L274-N278 PolarHBondContact O-N 3.46Å; L274-N278 PolarHBondContact O-ND2 3.24Å; L274-N278 VanDerWaalsContact O-ND2 3.17Å; L274-I289 HydrophobicContact CD1-CD1 4.16Å; L274-I289 HydrophobicContact CD1-CG1 3.87Å; L274-N290 WeakPolarHBondContact CD2-O 3.36Å; L274-F292 HydrophobicContact CB-CE2 4.13Å; L274-F292 HydrophobicContact CB-CZ 4.2Å; L274-F292 HydrophobicContact CD1-CE1 4.34Å; L274-F292 HydrophobicContact CD1-CE2 4.34Å; L274-F292 HydrophobicContact CD1-CZ 4.07Å
275R97.5Very high96.1Very high16 Ų1638.3 Ų38.36%0.0621%0.208CC..Hα-helixtrans-65.6-41.6176.2-165.8172.6-173.9148.71111.8L254 R256 E259 E271 L272 L273 N278 F279L254-R275 HydrophobicContact CB-CG 4.12Å; L254-R275 HydrophobicContact CD1-CB 4.49Å; L254-R275 PolarHBondContact O-NE 3.37Å; L254-R275 PolarHBondContact O-NH2 3.06Å; R256-R275 VanDerWaalsContact CD-NH2 3.32Å; E259-R275 VanDerWaalsContact CD-NH2 3.27Å; E259-R275 IonicContact OE1-CZ 2.71Å; E259-R275 IonicContact OE1-NH1 3.78Å; E259-R275 IonicContact OE1-NH2 2.78Å; E259-R275 PolarHBondContact OE1-NH2 3.03Å; E259-R275 IonicContact OE2-CZ 3.16Å; E259-R275 IonicContact OE2-NH1 2.83Å; E259-R275 PolarHBondContact OE2-NH1 3.3Å; E259-R275 IonicContact OE2-NH2 2.97Å; E259-R275 PolarHBondContact OE2-NH2 3.42Å; E271-R275 VanDerWaalsContact O-CB 3.24Å; E271-R275 WeakPolarHBondContact O-CB 3.33Å; E271-R275 PolarHBondContact O-N 3.18Å; L272-R275 WeakPolarHBondContact O-CB 3.09Å; L272-R275 PolarHBondContact O-N 2.58Å; L273-R275 VanDerWaalsContact C-N 3.31Å; R275-N278 PolarHBondContact O-N 3.32Å; R275-F279 WeakPolarHBondContact O-CB 3.37Å; R275-F279 PolarHBondContact O-N 2.95Å
276W98.3Very high96.4Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-60.9-49.1172.8169.280.4000112.6L254 L272 L273 N278 F279 H280 L305 I309 V370 L373 F374 P378L254-W276 HydrophobicContact CD1-CB 3.92Å; L254-W276 HydrophobicContact CD2-CB 4.35Å; L272-W276 WeakPolarHBondContact O-CB 3.25Å; L272-W276 PolarHBondContact O-N 2.86Å; L273-W276 HydrophobicContact CD1-CD2 4.41Å; L273-W276 HydrophobicContact CD1-CE3 3.74Å; L273-W276 HydrophobicContact CD1-CZ3 4.19Å; L273-W276 HydrophobicContact CG-CE3 4.49Å; L273-W276 WeakPolarHBondContact O-CB 3.49Å; L273-W276 PolarHBondContact O-N 3.08Å; W276-N278 VanDerWaalsContact C-N 3.3Å; W276-N278 PolarHBondContact O-N 3.41Å; W276-F279 WeakPolarHBondContact O-CB 3.27Å; W276-F279 PolarHBondContact O-N 2.9Å; W276-H280 AromaticContact CD1-CD2 3.79Å; W276-H280 AromaticContact CD1-NE2 3.76Å; W276-H280 AromaticContact CE2-CD2 3.52Å; W276-H280 AromaticContact CE2-NE2 3.75Å; W276-H280 AromaticContact CZ2-CD2 3.96Å; W276-H280 AromaticContact NE1-CD2 3.33Å; W276-H280 PolarHBondContact NE1-CD2 2.86Å; W276-H280 VanDerWaalsContact NE1-CD2 3.33Å; W276-H280 AromaticContact NE1-NE2 3.16Å; W276-H280 PolarHBondContact NE1-NE2 3.29Å; W276-H280 VanDerWaalsContact NE1-NE2 3.16Å; W276-H280 PolarHBondContact O-CD2 3.48Å; W276-H280 PolarHBondContact O-N 3.39Å; W276-L305 HydrophobicContact CH2-CD1 3.99Å; W276-L305 HydrophobicContact CH2-CD2 4.25Å; W276-L305 HydrophobicContact CH2-CG 4.37Å; W276-L305 HydrophobicContact CZ2-CD1 4.45Å; W276-L305 HydrophobicContact CZ3-CD1 4.08Å; W276-L305 HydrophobicContact CZ3-CD2 3.96Å; W276-L305 HydrophobicContact CZ3-CG 4.48Å; W276-I309 HydrophobicContact CH2-CD1 4.22Å; W276-I309 HydrophobicContact CH2-CG2 4.15Å; W276-I309 HydrophobicContact CZ2-CG2 3.66Å; W276-V370 HydrophobicContact CE3-CG1 4.12Å; W276-V370 HydrophobicContact CZ3-CG1 3.65Å; W276-L373 HydrophobicContact CH2-CB 4.05Å; W276-F374 HydrophobicContact CB-CD2 4.44Å; W276-F374 AromaticContact CD1-CD2 3.65Å; W276-F374 AromaticContact CD1-CE2 3.85Å; W276-F374 HydrophobicContact CD2-CB 4.37Å; W276-F374 AromaticContact CD2-CD2 3.69Å; W276-F374 HydrophobicContact CD2-CD2 3.69Å; W276-F374 AromaticContact CE2-CD2 3.64Å; W276-F374 HydrophobicContact CE3-CB 4.3Å; W276-F374 HydrophobicContact CE3-CD2 4.37Å; W276-F374 AromaticContact CG-CD2 3.69Å; W276-F374 HydrophobicContact CG-CD2 3.69Å; W276-F374 HydrophobicContact CG-CE2 4.13Å; W276-F374 HydrophobicContact CH2-CB 4.11Å; W276-F374 HydrophobicContact CZ2-CB 4.16Å; W276-F374 HydrophobicContact CZ2-CD2 4.27Å; W276-F374 HydrophobicContact CZ3-CB 4.17Å; W276-F374 AromaticContact NE1-CD2 3.58Å; W276-P378 PolarHBondContact NE1-O 3.44Å
277A98.6Very high96.8Very high1 Ų140.4 Ų40.41%0.00822%0.217CC..Hα-helixtrans-59.3-45.517800000110.4L273 L274 F279 H280 L281 I289 F292 L305L273-A277 WeakPolarHBondContact O-CB 3.39Å; L273-A277 PolarHBondContact O-N 3.46Å; L274-A277 PolarHBondContact O-N 3.27Å; A277-F279 PolarHBondContact O-N 2.87Å; A277-H280 PolarHBondContact O-N 2.95Å; A277-L281 VanDerWaalsContact O-CG 3.28Å; A277-L281 WeakPolarHBondContact O-CG 3.44Å; A277-L281 PolarHBondContact O-N 2.87Å; A277-I289 HydrophobicContact CB-CD1 4.49Å; A277-F292 HydrophobicContact CB-CE1 3.81Å; A277-F292 HydrophobicContact CB-CZ 3.94Å; A277-L305 HydrophobicContact CB-CD2 4.44Å
278N98.5Very high97Very high10 Ų1043.8 Ų43.85%0.05323%0.23CC..Hα-helixtrans-66-36.2178.4-80.2-39.2000113.7L274 R275 W276 H280 L281 E282 K288 I289L274-N278 WeakPolarHBondContact O-CB 3.28Å; L274-N278 PolarHBondContact O-N 3.46Å; L274-N278 PolarHBondContact O-ND2 3.24Å; L274-N278 VanDerWaalsContact O-ND2 3.17Å; R275-N278 PolarHBondContact O-N 3.32Å; W276-N278 VanDerWaalsContact C-N 3.3Å; W276-N278 PolarHBondContact O-N 3.41Å; N278-H280 VanDerWaalsContact C-N 3.31Å; N278-H280 PolarHBondContact O-N 2.97Å; N278-L281 PolarHBondContact O-N 3.46Å; N278-E282 WeakPolarHBondContact O-CB 3.37Å; N278-E282 WeakPolarHBondContact O-CG 3.36Å; N278-E282 PolarHBondContact O-N 2.91Å; N278-K288 HydrophobicContact CB-CD 4.06Å; N278-K288 HydrophobicContact CB-CG 3.98Å; N278-K288 WeakPolarHBondContact OD1-CA 3.45Å; N278-K288 VanDerWaalsContact OD1-CB 3.28Å; N278-K288 WeakPolarHBondContact OD1-CB 3.49Å; N278-K288 WeakPolarHBondContact OD1-CG 3.36Å; N278-I289 PolarHBondContact ND2-O 3.3Å; N278-I289 PolarHBondContact OD1-N 3.48Å; N278-I289 PolarHBondContact OD1-O 3.37Å
279F98.2Very high97.2Very high60 Ų6043.3 Ų43.326%0.26323%0.225SC..Hα-helixtrans-56-47.4172.9170.9-92.8000111.1L254 R275 W276 A277 N283 L380L254-F279 HydrophobicContact CD2-CB 3.64Å; L254-F279 HydrophobicContact CD2-CD1 4.3Å; L254-F279 HydrophobicContact CD2-CD2 4.23Å; L254-F279 HydrophobicContact CD2-CG 3.81Å; R275-F279 WeakPolarHBondContact O-CB 3.37Å; R275-F279 PolarHBondContact O-N 2.95Å; W276-F279 WeakPolarHBondContact O-CB 3.27Å; W276-F279 PolarHBondContact O-N 2.9Å; A277-F279 PolarHBondContact O-N 2.87Å; F279-N283 WeakPolarHBondContact CE1-ND2 3.47Å; F279-N283 WeakPolarHBondContact CZ-ND2 3.3Å; F279-N283 WeakPolarHBondContact O-CB 3.46Å; F279-N283 VanDerWaalsContact O-CG 3.22Å; F279-N283 PolarHBondContact O-N 3.15Å; F279-N283 VanDerWaalsContact O-N 3.09Å; F279-N283 PolarHBondContact O-ND2 3.42Å; F279-L380 HydrophobicContact CD1-CD2 3.7Å; F279-L380 HydrophobicContact CE1-CD2 3.56Å; F279-L380 HydrophobicContact CZ-CD2 4.28Å
280H98.5Very high97.1Very high5 Ų548.4 Ų48.42%0.02325%0.252CS..Hα-helixtrans-69.4-40.9177.3-74.8-58.4000112.8W276 A277 N278 E282 N283 S284 L305 Q308 P378 A379W276-H280 AromaticContact CD1-CD2 3.79Å; W276-H280 AromaticContact CD1-NE2 3.76Å; W276-H280 AromaticContact CE2-CD2 3.52Å; W276-H280 AromaticContact CE2-NE2 3.75Å; W276-H280 AromaticContact CZ2-CD2 3.96Å; W276-H280 AromaticContact NE1-CD2 3.33Å; W276-H280 PolarHBondContact NE1-CD2 2.86Å; W276-H280 VanDerWaalsContact NE1-CD2 3.33Å; W276-H280 AromaticContact NE1-NE2 3.16Å; W276-H280 PolarHBondContact NE1-NE2 3.29Å; W276-H280 VanDerWaalsContact NE1-NE2 3.16Å; W276-H280 PolarHBondContact O-CD2 3.48Å; W276-H280 PolarHBondContact O-N 3.39Å; A277-H280 PolarHBondContact O-N 2.95Å; N278-H280 VanDerWaalsContact C-N 3.31Å; N278-H280 PolarHBondContact O-N 2.97Å; H280-E282 PolarHBondContact O-N 3.35Å; H280-N283 PolarHBondContact O-N 2.83Å; H280-S284 PolarHBondContact O-N 3.02Å; H280-L305 HydrophobicContact CB-CD1 3.64Å; H280-Q308 HydrophobicContact CB-CB 3.97Å; H280-Q308 HydrophobicContact CB-CG 4.39Å; H280-Q308 WeakPolarHBondContact O-CG 3.42Å; H280-P378 PolarHBondContact NE2-O 3.33Å; H280-P378 VanDerWaalsContact NE2-O 3.12Å; H280-A379 PolarHBondContact CE1-O 3.09Å; H280-A379 VanDerWaalsContact CE1-O 3.3Å
281L98.6Very high97Very high2 Ų248 Ų481%0.0125%0.252CS..Hα-helixtrans-60.4-46.1176.9-68.7176.6000111.6A277 N278 N283 S284 G285 W286 I289 A301 H304 L305A277-L281 VanDerWaalsContact O-CG 3.28Å; A277-L281 WeakPolarHBondContact O-CG 3.44Å; A277-L281 PolarHBondContact O-N 2.87Å; N278-L281 PolarHBondContact O-N 3.46Å; L281-N283 PolarHBondContact O-N 3.36Å; L281-S284 WeakPolarHBondContact O-CB 3.46Å; L281-S284 PolarHBondContact O-N 2.83Å; L281-S284 VanDerWaalsContact O-N 3.1Å; L281-S284 PolarHBondContact O-OG 2.86Å; L281-G285 PolarHBondContact O-N 3.32Å; L281-W286 CarbonylContact C-O 3.56Å; L281-W286 HydrophobicContact CB-CB 4.44Å; L281-W286 HydrophobicContact CD2-CB 4.36Å; L281-W286 HydrophobicContact CD2-CG 4.43Å; L281-W286 PolarHBondContact O-N 3.13Å; L281-I289 HydrophobicContact CD1-CD1 4.3Å; L281-I289 HydrophobicContact CD1-CG1 3.96Å; L281-I289 HydrophobicContact CD1-CG2 3.98Å; L281-A301 HydrophobicContact CD1-CB 4.19Å; L281-A301 HydrophobicContact CD2-CB 4.16Å; L281-A301 VanDerWaalsContact CD2-O 3.3Å; L281-A301 WeakPolarHBondContact CD2-O 3.16Å; L281-H304 HydrophobicContact CD2-CB 3.84Å; L281-L305 HydrophobicContact CD2-CB 4.41Å
282E97.7Very high96.9Very high95 Ų9544.1 Ų44.144%0.44423%0.233SC..Hα-helixtrans-60.8-44.6176.5-73.6179.8156.800111.5N278 H280 S284 G285 K288N278-E282 WeakPolarHBondContact O-CB 3.37Å; N278-E282 WeakPolarHBondContact O-CG 3.36Å; N278-E282 PolarHBondContact O-N 2.91Å; H280-E282 PolarHBondContact O-N 3.35Å; E282-S284 PolarHBondContact O-N 2.86Å; E282-G285 PolarHBondContact O-N 2.7Å; E282-K288 HydrophobicContact CG-CD 4.32Å; E282-K288 HydrophobicContact CG-CG 3.82Å; E282-K288 WeakPolarHBondContact OE1-CD 3.31Å; E282-K288 WeakPolarHBondContact OE1-CE 3.16Å; E282-K288 WeakPolarHBondContact OE1-CG 3.39Å; E282-K288 IonicContact OE1-NZ 3.38Å; E282-K288 PolarHBondContact OE1-NZ 3.08Å
283N96.6Very high96.6Very high96 Ų9644.7 Ų44.751%0.51324%0.237SC..Hα-helixtrans-63.9-24.1176.2-72.3-23.5000113.4F279 H280 L281 G285F279-N283 WeakPolarHBondContact CE1-ND2 3.47Å; F279-N283 WeakPolarHBondContact CZ-ND2 3.3Å; F279-N283 WeakPolarHBondContact O-CB 3.46Å; F279-N283 VanDerWaalsContact O-CG 3.22Å; F279-N283 PolarHBondContact O-N 3.15Å; F279-N283 VanDerWaalsContact O-N 3.09Å; F279-N283 PolarHBondContact O-ND2 3.42Å; H280-N283 PolarHBondContact O-N 2.83Å; L281-N283 PolarHBondContact O-N 3.36Å; N283-G285 VanDerWaalsContact C-N 3.3Å
284S96.6Very high96.3Very high29 Ų2947.6 Ų47.620%0.20326%0.261CS..THydrogen-bonded Turntrans-82.5-5.5172.481.70000114.2H280 L281 E282 W286 H304H280-S284 PolarHBondContact O-N 3.02Å; L281-S284 WeakPolarHBondContact O-CB 3.46Å; L281-S284 PolarHBondContact O-N 2.83Å; L281-S284 VanDerWaalsContact O-N 3.1Å; L281-S284 PolarHBondContact O-OG 2.86Å; E282-S284 PolarHBondContact O-N 2.86Å; S284-W286 VanDerWaalsContact C-N 3.27Å; S284-W286 VanDerWaalsContact OG-CB 3.31Å; S284-W286 WeakPolarHBondContact OG-CB 3.46Å; S284-W286 PolarHBondContact OG-N 3.07Å; S284-H304 PolarHBondContact OG-ND1 3.31Å
285G97.1Very high96.2Very high71 Ų7148.3 Ų48.373%0.73227%0.265SS*.THydrogen-bonded Turntrans74.314.2-170.400000114L281 E282 N283L281-G285 PolarHBondContact O-N 3.32Å; E282-G285 PolarHBondContact O-N 2.7Å; N283-G285 VanDerWaalsContact C-N 3.3Å
286W96.9Very high96.1Very high61 Ų6147.5 Ų47.523%0.23126%0.262CS..PPolyproline II helixtrans-91.2156.9176.8-165.5-106000111.3L281 S284 K300 H304 F328L281-W286 CarbonylContact C-O 3.56Å; L281-W286 HydrophobicContact CB-CB 4.44Å; L281-W286 HydrophobicContact CD2-CB 4.36Å; L281-W286 HydrophobicContact CD2-CG 4.43Å; L281-W286 PolarHBondContact O-N 3.13Å; S284-W286 VanDerWaalsContact C-N 3.27Å; S284-W286 VanDerWaalsContact OG-CB 3.31Å; S284-W286 WeakPolarHBondContact OG-CB 3.46Å; S284-W286 PolarHBondContact OG-N 3.07Å; W286-K300 HydrophobicContact CH2-CB 4.26Å; W286-K300 HydrophobicContact CH2-CD 4.06Å; W286-K300 HydrophobicContact CZ2-CB 3.69Å; W286-K300 HydrophobicContact CZ2-CD 4.11Å; W286-H304 HydrophobicContact CB-CB 4.22Å; W286-H304 AromaticContact CD2-CD2 3.55Å; W286-H304 AromaticContact CD2-NE2 3.71Å; W286-H304 AromaticContact CE3-CD2 3.63Å; W286-H304 AromaticContact CE3-CE1 3.84Å; W286-H304 AromaticContact CE3-NE2 3.24Å; W286-H304 HydrophobicContact CG-CB 4.37Å; W286-H304 AromaticContact CG-CD2 3.79Å; W286-H304 AromaticContact CG-CG 3.97Å; W286-H304 AromaticContact CZ3-NE2 3.71Å; W286-F328 HydrophobicContact CH2-CE2 4.37Å; W286-F328 AromaticContact CH2-CZ 3.76Å; W286-F328 HydrophobicContact CH2-CZ 3.76Å; W286-F328 HydrophobicContact CZ3-CE2 4.48Å; W286-F328 AromaticContact CZ3-CZ 3.79Å; W286-F328 HydrophobicContact CZ3-CZ 3.79Å
287Q97Very high96Very high135 Ų13551.8 Ų51.863%0.63128%0.281SS*.PPolyproline II helixtrans-69.3147.6177.363.7-173-2.900112
288K97.3Very high95.9Very high106 Ų10654.1 Ų54.146%0.46129%0.293SS..PPolyproline II helixtrans-65154.8172.9-76.1-168-77.2-131.40112.7N278 E282N278-K288 HydrophobicContact CB-CD 4.06Å; N278-K288 HydrophobicContact CB-CG 3.98Å; N278-K288 WeakPolarHBondContact OD1-CA 3.45Å; N278-K288 VanDerWaalsContact OD1-CB 3.28Å; N278-K288 WeakPolarHBondContact OD1-CB 3.49Å; N278-K288 WeakPolarHBondContact OD1-CG 3.36Å; E282-K288 HydrophobicContact CG-CD 4.32Å; E282-K288 HydrophobicContact CG-CG 3.82Å; E282-K288 WeakPolarHBondContact OE1-CD 3.31Å; E282-K288 WeakPolarHBondContact OE1-CE 3.16Å; E282-K288 WeakPolarHBondContact OE1-CG 3.39Å; E282-K288 IonicContact OE1-NZ 3.38Å; E282-K288 PolarHBondContact OE1-NZ 3.08Å
289I96.8Very high95.9Very high8 Ų853.6 Ų53.64%0.04129%0.29CS..  trans-109.9155.6168.961171.1000110.3L274 A277 N278 L281 F292 D295 I296 A301L274-I289 HydrophobicContact CD1-CD1 4.16Å; L274-I289 HydrophobicContact CD1-CG1 3.87Å; A277-I289 HydrophobicContact CB-CD1 4.49Å; N278-I289 PolarHBondContact ND2-O 3.3Å; N278-I289 PolarHBondContact OD1-N 3.48Å; N278-I289 PolarHBondContact OD1-O 3.37Å; L281-I289 HydrophobicContact CD1-CD1 4.3Å; L281-I289 HydrophobicContact CD1-CG1 3.96Å; L281-I289 HydrophobicContact CD1-CG2 3.98Å; I289-F292 HydrophobicContact CD1-CD1 3.77Å; I289-F292 HydrophobicContact CD1-CE1 3.63Å; I289-D295 HydrophobicContact CB-CB 3.81Å; I289-D295 HydrophobicContact CG2-CB 3.85Å; I289-I296 HydrophobicContact CD1-CG2 4.05Å; I289-A301 HydrophobicContact CG2-CB 3.97Å
290N93.8Very high95.9Very high127 Ų12753.9 Ų53.968%0.67929%0.291SS*.SBendtrans-108.2-12.6179.7-54.1-79000112.7L274 D295L274-N290 WeakPolarHBondContact CD2-O 3.36Å; N290-D295 WeakPolarHBondContact CB-OD2 2.99Å; N290-D295 PolarHBondContact N-OD2 3.21Å; N290-D295 PolarHBondContact ND2-OD2 3.48Å
291N91.7Very high95.9Very high44 Ų4453.8 Ų53.824%0.23529%0.291CS..  trans-160.3161.6-176.258.676.8000110.1S293 A294 D295N291-S293 VanDerWaalsContact C-N 3.3Å; N291-S293 WeakPolarHBondContact OD1-CA 3.25Å; N291-S293 PolarHBondContact OD1-N 3.09Å; N291-S293 PolarHBondContact OD1-OG 3.27Å; N291-A294 PolarHBondContact OD1-N 2.94Å; N291-D295 VanDerWaalsContact ND2-CG 3.33Å; N291-D295 PolarHBondContact ND2-OD1 3.1Å; N291-D295 PolarHBondContact OD1-N 3.08Å; N291-D295 VanDerWaalsContact OD1-N 3.07Å
292F93.7Very high95.9Very high17 Ų1753.8 Ų53.88%0.07529%0.291CS..SBendtrans-95.534.7170.9-58.3-62.1000112L273 L274 A277 I289 I296 N366 L367 V370L273-F292 HydrophobicContact CB-CE2 4.49Å; L273-F292 HydrophobicContact CD2-CE2 4.26Å; L273-F292 HydrophobicContact CG-CE2 4.26Å; L273-F292 HydrophobicContact CG-CZ 4.25Å; L274-F292 HydrophobicContact CB-CE2 4.13Å; L274-F292 HydrophobicContact CB-CZ 4.2Å; L274-F292 HydrophobicContact CD1-CE1 4.34Å; L274-F292 HydrophobicContact CD1-CE2 4.34Å; L274-F292 HydrophobicContact CD1-CZ 4.07Å; A277-F292 HydrophobicContact CB-CE1 3.81Å; A277-F292 HydrophobicContact CB-CZ 3.94Å; I289-F292 HydrophobicContact CD1-CD1 3.77Å; I289-F292 HydrophobicContact CD1-CE1 3.63Å; F292-I296 VanDerWaalsContact C-CG1 3.42Å; F292-I296 HydrophobicContact CD1-CG2 4.41Å; F292-I296 WeakPolarHBondContact O-CG1 3.36Å; F292-N366 HydrophobicContact CB-CB 4.19Å; F292-N366 WeakPolarHBondContact O-CB 3.27Å; F292-L367 HydrophobicContact CD2-CD1 3.73Å; F292-L367 HydrophobicContact CE2-CD1 3.97Å; F292-V370 HydrophobicContact CD1-CG1 4.46Å; F292-V370 HydrophobicContact CD1-CG2 3.83Å; F292-V370 HydrophobicContact CE1-CB 4.26Å; F292-V370 HydrophobicContact CE1-CG1 3.74Å; F292-V370 HydrophobicContact CE1-CG2 3.87Å; F292-V370 HydrophobicContact CE2-CG1 4.37Å; F292-V370 HydrophobicContact CG-CG2 4.39Å; F292-V370 HydrophobicContact CZ-CB 4.38Å; F292-V370 HydrophobicContact CZ-CG1 3.68Å; F292-V370 HydrophobicContact CZ-CG2 4.47Å
293S90.7Very high95.9Very high15 Ų1549.3 Ų49.311%0.10527%0.27CS..SBendtrans-128.3-84.8179.457.10000112N291 I296 K297 G361N291-S293 VanDerWaalsContact C-N 3.3Å; N291-S293 WeakPolarHBondContact OD1-CA 3.25Å; N291-S293 PolarHBondContact OD1-N 3.09Å; N291-S293 PolarHBondContact OD1-OG 3.27Å; S293-I296 VanDerWaalsContact O-CD1 3.26Å; S293-I296 WeakPolarHBondContact O-CD1 3.35Å; S293-I296 WeakPolarHBondContact O-CG1 2.96Å; S293-K297 VanDerWaalsContact O-CG 3.24Å; S293-K297 WeakPolarHBondContact O-CG 3.44Å; S293-G361 WeakPolarHBondContact CA-O 3.32Å; S293-G361 VanDerWaalsContact CB-O 3.22Å; S293-G361 WeakPolarHBondContact CB-O 3.34Å; S293-G361 WeakPolarHBondContact O-CA 3.15Å
294A90.8Very high96Very high61 Ų6146.1 Ų46.150%0.50425%0.252SS..G310 helixtrans-64.6-39.3-179.600000113N291 I296 K297N291-A294 PolarHBondContact OD1-N 2.94Å; A294-I296 VanDerWaalsContact C-N 3.27Å; A294-I296 PolarHBondContact O-N 3.41Å; A294-K297 WeakPolarHBondContact O-CG 3.4Å
295D95Very high96.1Very high55 Ų5544.9 Ų44.929%0.29424%0.244SC..G310 helixtrans-80.6-8.3-170.5-64.415.8000112.8I289 N290 N291I289-D295 HydrophobicContact CB-CB 3.81Å; I289-D295 HydrophobicContact CG2-CB 3.85Å; N290-D295 WeakPolarHBondContact CB-OD2 2.99Å; N290-D295 PolarHBondContact N-OD2 3.21Å; N290-D295 PolarHBondContact ND2-OD2 3.48Å; N291-D295 VanDerWaalsContact ND2-CG 3.33Å; N291-D295 PolarHBondContact ND2-OD1 3.1Å; N291-D295 PolarHBondContact OD1-N 3.08Å; N291-D295 VanDerWaalsContact OD1-N 3.07Å
296I95.8Very high96.2Very high0 Ų041.5 Ų41.50%021%0.209CC..G310 helixtrans-107.6-5.4-178.459.968000114I289 F292 S293 A294 D298 S299 Y302 V358 N366I289-I296 HydrophobicContact CD1-CG2 4.05Å; F292-I296 VanDerWaalsContact C-CG1 3.42Å; F292-I296 HydrophobicContact CD1-CG2 4.41Å; F292-I296 WeakPolarHBondContact O-CG1 3.36Å; S293-I296 VanDerWaalsContact O-CD1 3.26Å; S293-I296 WeakPolarHBondContact O-CD1 3.35Å; S293-I296 WeakPolarHBondContact O-CG1 2.96Å; A294-I296 VanDerWaalsContact C-N 3.27Å; A294-I296 PolarHBondContact O-N 3.41Å; I296-D298 PolarHBondContact O-N 2.7Å; I296-D298 VanDerWaalsContact O-N 3.09Å; I296-S299 WeakPolarHBondContact O-CA 3.49Å; I296-S299 PolarHBondContact O-N 3.39Å; I296-Y302 HydrophobicContact CB-CD2 4.47Å; I296-Y302 HydrophobicContact CB-CE2 3.86Å; I296-Y302 HydrophobicContact CD1-CE2 4.32Å; I296-Y302 HydrophobicContact CG1-CE2 4.21Å; I296-Y302 HydrophobicContact CG2-CE1 4.14Å; I296-Y302 HydrophobicContact CG2-CE2 4.33Å; I296-V358 HydrophobicContact CD1-CG1 4.32Å; I296-V358 WeakPolarHBondContact CD1-O 3.2Å; I296-N366 HydrophobicContact CD1-CB 4.37Å; I296-N366 WeakPolarHBondContact CD1-OD1 3.12Å; I296-N366 HydrophobicContact CG1-CB 4.47Å
297K96.7Very high96.2Very high90 Ų9041.1 Ų41.139%0.39121%0.211SC..THydrogen-bonded Turntrans-59.3-30.4-169.6-63.9-178.769.8-178.30113.6S293 A294 S299 V358 V359S293-K297 VanDerWaalsContact O-CG 3.24Å; S293-K297 WeakPolarHBondContact O-CG 3.44Å; A294-K297 WeakPolarHBondContact O-CG 3.4Å; K297-S299 VanDerWaalsContact C-N 3.27Å; K297-S299 PolarHBondContact O-N 2.84Å; K297-V358 WeakPolarHBondContact CA-O 3.42Å; K297-V359 WeakPolarHBondContact CE-O 3.34Å
298D96.5Very high96.2Very high49 Ų4937.4 Ų37.426%0.26219%0.194SC..THydrogen-bonded Turntrans-83.6-0.2179.481-4000113I296 K300 R336I296-D298 PolarHBondContact O-N 2.7Å; I296-D298 VanDerWaalsContact O-N 3.09Å; D298-K300 PolarHBondContact O-N 3.26Å; D298-K300 WeakPolarHBondContact OD1-CB 3.24Å; D298-K300 PolarHBondContact OD1-N 3.01Å; D298-K300 WeakPolarHBondContact OD2-CD 3.48Å; D298-R336 VanDerWaalsContact CA-NH2 3.29Å; D298-R336 PolarHBondContact O-NE 3.43Å; D298-R336 PolarHBondContact O-NH2 3.45Å
299S98.1Very high96.2Very high0 Ų032.6 Ų32.60%017%0.173CC..SBendtrans58.51.5-178.7-51.60000116.3I296 K297 Y302 F303 A337 V358I296-S299 WeakPolarHBondContact O-CA 3.49Å; I296-S299 PolarHBondContact O-N 3.39Å; K297-S299 VanDerWaalsContact C-N 3.27Å; K297-S299 PolarHBondContact O-N 2.84Å; S299-Y302 PolarHBondContact O-N 2.88Å; S299-F303 WeakPolarHBondContact O-CD2 3.49Å; S299-F303 PolarHBondContact O-N 2.68Å; S299-F303 VanDerWaalsContact O-N 3.12Å; S299-A337 WeakPolarHBondContact OG-CA 3.39Å; S299-A337 VanDerWaalsContact OG-CB 3.3Å; S299-A337 WeakPolarHBondContact OG-CB 3.17Å; S299-V358 WeakPolarHBondContact OG-CG1 3.38Å
300K98.2Very high96.3Very high65 Ų6532.3 Ų32.328%0.28317%0.172SC..Hα-helixtrans-70.7-43.4-174.4-70.5-174.9-176.21680111.6W286 D298 Y302 F303 H304 F328W286-K300 HydrophobicContact CH2-CB 4.26Å; W286-K300 HydrophobicContact CH2-CD 4.06Å; W286-K300 HydrophobicContact CZ2-CB 3.69Å; W286-K300 HydrophobicContact CZ2-CD 4.11Å; D298-K300 PolarHBondContact O-N 3.26Å; D298-K300 WeakPolarHBondContact OD1-CB 3.24Å; D298-K300 PolarHBondContact OD1-N 3.01Å; D298-K300 WeakPolarHBondContact OD2-CD 3.48Å; K300-Y302 PolarHBondContact O-N 2.96Å; K300-F303 PolarHBondContact O-N 3.35Å; K300-H304 PolarHBondContact O-CD2 2.93Å; K300-H304 PolarHBondContact O-N 3.24Å; K300-F328 HydrophobicContact CB-CD2 4.37Å; K300-F328 HydrophobicContact CB-CE2 3.64Å; K300-F328 HydrophobicContact CB-CZ 4.23Å; K300-F328 HydrophobicContact CD-CE2 4.11Å; K300-F328 HydrophobicContact CD-CZ 3.95Å; K300-F328 HydrophobicContact CG-CD2 4.23Å; K300-F328 HydrophobicContact CG-CE2 3.73Å; K300-F328 HydrophobicContact CG-CZ 4.11Å
301A98.3Very high96.4Very high3 Ų326.6 Ų26.63%0.02514%0.142CC..Hα-helixtrans-55.5-40.7172.700000111L281 I289 H304 L305L281-A301 HydrophobicContact CD1-CB 4.19Å; L281-A301 HydrophobicContact CD2-CB 4.16Å; L281-A301 VanDerWaalsContact CD2-O 3.3Å; L281-A301 WeakPolarHBondContact CD2-O 3.16Å; I289-A301 HydrophobicContact CG2-CB 3.97Å; A301-H304 PolarHBondContact O-N 3.5Å; A301-L305 WeakPolarHBondContact O-CB 3.37Å; A301-L305 PolarHBondContact O-N 3.34Å
302Y98.5Very high96.5Very high3 Ų328.5 Ų28.51%0.01215%0.148CC..Hα-helixtrans-66.7-38177.4-70.6-34000114.1I296 S299 K300 H304 L305 L306 M340 V358 N366 F369 V370I296-Y302 HydrophobicContact CB-CD2 4.47Å; I296-Y302 HydrophobicContact CB-CE2 3.86Å; I296-Y302 HydrophobicContact CD1-CE2 4.32Å; I296-Y302 HydrophobicContact CG1-CE2 4.21Å; I296-Y302 HydrophobicContact CG2-CE1 4.14Å; I296-Y302 HydrophobicContact CG2-CE2 4.33Å; S299-Y302 PolarHBondContact O-N 2.88Å; K300-Y302 PolarHBondContact O-N 2.96Å; Y302-H304 VanDerWaalsContact C-N 3.33Å; Y302-H304 PolarHBondContact O-N 3.01Å; Y302-L305 HydrophobicContact CD1-CD2 4.26Å; Y302-L305 PolarHBondContact O-N 2.98Å; Y302-L306 WeakPolarHBondContact O-CB 3.44Å; Y302-L306 WeakPolarHBondContact O-CG 3.37Å; Y302-L306 PolarHBondContact O-N 2.84Å; Y302-M340 HydrophobicContact CD2-CE 3.66Å; Y302-M340 HydrophobicContact CD2-SD 4.34Å; Y302-M340 HydrophobicContact CG-CE 4.23Å; Y302-M340 HydrophobicContact CG-SD 4.33Å; Y302-V358 HydrophobicContact CD2-CG1 4.1Å; Y302-V358 HydrophobicContact CE2-CG1 4.08Å; Y302-N366 WeakPolarHBondContact CE2-OD1 3.39Å; Y302-N366 WeakPolarHBondContact OH-CB 3.22Å; Y302-N366 PolarHBondContact OH-OD1 3.39Å; Y302-F369 HydrophobicContact CD1-CE1 4.22Å; Y302-F369 HydrophobicContact CD2-CE1 4.19Å; Y302-F369 HydrophobicContact CE1-CD1 4.28Å; Y302-F369 HydrophobicContact CE1-CE1 4.26Å; Y302-F369 HydrophobicContact CE2-CD1 4.21Å; Y302-F369 HydrophobicContact CE2-CE1 4.2Å; Y302-F369 HydrophobicContact CG-CE1 4.19Å; Y302-V370 HydrophobicContact CE1-CG2 3.47Å; Y302-V370 VanDerWaalsContact CE1-CG2 3.47Å; Y302-V370 WeakPolarHBondContact OH-CG2 3.37Å
303F98.5Very high96.3Very high0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-57.7-46.3172-90.8-73.6000112.3S299 K300 N307 M325 F328 R336 M340 Q343S299-F303 WeakPolarHBondContact O-CD2 3.49Å; S299-F303 PolarHBondContact O-N 2.68Å; S299-F303 VanDerWaalsContact O-N 3.12Å; K300-F303 PolarHBondContact O-N 3.35Å; F303-N307 WeakPolarHBondContact O-CB 3.46Å; F303-N307 PolarHBondContact O-N 3.33Å; F303-M325 HydrophobicContact CB-CE 3.94Å; F303-M325 HydrophobicContact CB-SD 4.06Å; F303-M325 HydrophobicContact CD1-SD 3.98Å; F303-M325 HydrophobicContact CG-SD 4.46Å; F303-F328 HydrophobicContact CB-CD2 3.85Å; F303-F328 HydrophobicContact CD2-CB 4.43Å; F303-F328 HydrophobicContact CD2-CD2 4.21Å; F303-F328 HydrophobicContact CG-CB 4.42Å; F303-F328 HydrophobicContact CG-CD2 4.17Å; F303-R336 HydrophobicContact CD2-CG 4.49Å; F303-R336 HydrophobicContact CE2-CG 3.77Å; F303-M340 HydrophobicContact CD2-CB 3.96Å; F303-M340 HydrophobicContact CD2-CG 4.16Å; F303-M340 HydrophobicContact CE1-CB 4.33Å; F303-M340 HydrophobicContact CE2-CB 3.56Å; F303-M340 HydrophobicContact CE2-CG 4.27Å; F303-M340 HydrophobicContact CG-CB 4.5Å; F303-M340 HydrophobicContact CG-CG 4.41Å; F303-M340 HydrophobicContact CZ-CB 3.76Å; F303-Q343 HydrophobicContact CE1-CG 4.09Å
304H98.4Very high96.1Very high29 Ų2937.1 Ų37.113%0.13420%0.198CC..Hα-helixtrans-64.1-45.2177.3-79.6-83.8000111.9L281 S284 W286 K300 A301 Y302 N307 Q308 F328L281-H304 HydrophobicContact CD2-CB 3.84Å; S284-H304 PolarHBondContact OG-ND1 3.31Å; W286-H304 HydrophobicContact CB-CB 4.22Å; W286-H304 AromaticContact CD2-CD2 3.55Å; W286-H304 AromaticContact CD2-NE2 3.71Å; W286-H304 AromaticContact CE3-CD2 3.63Å; W286-H304 AromaticContact CE3-CE1 3.84Å; W286-H304 AromaticContact CE3-NE2 3.24Å; W286-H304 HydrophobicContact CG-CB 4.37Å; W286-H304 AromaticContact CG-CD2 3.79Å; W286-H304 AromaticContact CG-CG 3.97Å; W286-H304 AromaticContact CZ3-NE2 3.71Å; K300-H304 PolarHBondContact O-CD2 2.93Å; K300-H304 PolarHBondContact O-N 3.24Å; A301-H304 PolarHBondContact O-N 3.5Å; Y302-H304 VanDerWaalsContact C-N 3.33Å; Y302-H304 PolarHBondContact O-N 3.01Å; H304-N307 PolarHBondContact O-N 2.91Å; H304-Q308 WeakPolarHBondContact O-CG 3.44Å; H304-Q308 PolarHBondContact O-N 3.45Å; H304-F328 AromaticContact CD2-CE2 3.62Å; H304-F328 AromaticContact NE2-CE2 3.42Å; H304-F328 WeakPolarHBondContact NE2-CE2 3.27Å; H304-F328 AromaticContact NE2-CZ 3.65Å
305L98.5Very high95.8Very high4 Ų441 Ų412%0.02120%0.203CC..Hα-helixtrans-60-51.4177.7-178.260.9000111.5W276 A277 H280 L281 A301 Y302 N307 Q308 I309 L373W276-L305 HydrophobicContact CH2-CD1 3.99Å; W276-L305 HydrophobicContact CH2-CD2 4.25Å; W276-L305 HydrophobicContact CH2-CG 4.37Å; W276-L305 HydrophobicContact CZ2-CD1 4.45Å; W276-L305 HydrophobicContact CZ3-CD1 4.08Å; W276-L305 HydrophobicContact CZ3-CD2 3.96Å; W276-L305 HydrophobicContact CZ3-CG 4.48Å; A277-L305 HydrophobicContact CB-CD2 4.44Å; H280-L305 HydrophobicContact CB-CD1 3.64Å; L281-L305 HydrophobicContact CD2-CB 4.41Å; A301-L305 WeakPolarHBondContact O-CB 3.37Å; A301-L305 PolarHBondContact O-N 3.34Å; Y302-L305 HydrophobicContact CD1-CD2 4.26Å; Y302-L305 PolarHBondContact O-N 2.98Å; L305-N307 VanDerWaalsContact C-N 3.29Å; L305-N307 PolarHBondContact O-N 2.89Å; L305-Q308 PolarHBondContact O-N 3.29Å; L305-I309 HydrophobicContact CD1-CG2 3.97Å; L305-I309 WeakPolarHBondContact O-CG1 2.77Å; L305-I309 WeakPolarHBondContact O-CG2 3.47Å; L305-I309 PolarHBondContact O-N 2.9Å; L305-L373 HydrophobicContact CD2-CD1 4.24Å
306L98.5Very high95.3Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-55.8-45.4176.5-70.5172.7000111.2Y302 Q308 I309 A310 I323 M340 Q343 A344 L347 L373Y302-L306 WeakPolarHBondContact O-CB 3.44Å; Y302-L306 WeakPolarHBondContact O-CG 3.37Å; Y302-L306 PolarHBondContact O-N 2.84Å; L306-Q308 VanDerWaalsContact C-N 3.3Å; L306-Q308 PolarHBondContact O-N 3.42Å; L306-I309 PolarHBondContact O-N 3.12Å; L306-A310 WeakPolarHBondContact O-CB 3.45Å; L306-A310 PolarHBondContact O-N 3.46Å; L306-I323 HydrophobicContact CB-CD1 4.48Å; L306-I323 HydrophobicContact CB-CG1 4.46Å; L306-I323 HydrophobicContact CB-CG2 4.34Å; L306-M340 HydrophobicContact CD1-CG 3.79Å; L306-M340 HydrophobicContact CD1-SD 3.7Å; L306-Q343 HydrophobicContact CD1-CB 4.09Å; L306-A344 HydrophobicContact CD1-CB 4.2Å; L306-A344 HydrophobicContact CD2-CB 3.98Å; L306-L347 HydrophobicContact CD2-CD1 3.77Å; L306-L373 HydrophobicContact CD2-CD1 4.16Å; L306-L373 HydrophobicContact CD2-CD2 3.64Å
307N97.7Very high94.8Very high53 Ų5352 Ų5228%0.28328%0.275SS..Hα-helixtrans-65.1-31.5178.7-174.154.3000112.7F303 H304 L305 K312 I323 M325F303-N307 WeakPolarHBondContact O-CB 3.46Å; F303-N307 PolarHBondContact O-N 3.33Å; H304-N307 PolarHBondContact O-N 2.91Å; L305-N307 VanDerWaalsContact C-N 3.29Å; L305-N307 PolarHBondContact O-N 2.89Å; N307-K312 PolarHBondContact O-NZ 3.07Å; N307-I323 HydrophobicContact CB-CB 4.21Å; N307-I323 HydrophobicContact CB-CG2 4.21Å; N307-M325 HydrophobicContact CB-SD 4.11Å
308Q97.2Very high94.2Very high56 Ų5651 Ų5126%0.26227%0.272SS..Hα-helixtrans-73.8-46.2176.5-73.9-67.2-47.600112.3H280 H304 L305 L306H280-Q308 HydrophobicContact CB-CB 3.97Å; H280-Q308 HydrophobicContact CB-CG 4.39Å; H280-Q308 WeakPolarHBondContact O-CG 3.42Å; H304-Q308 WeakPolarHBondContact O-CG 3.44Å; H304-Q308 PolarHBondContact O-N 3.45Å; L305-Q308 PolarHBondContact O-N 3.29Å; L306-Q308 VanDerWaalsContact C-N 3.3Å; L306-Q308 PolarHBondContact O-N 3.42Å
309I97.3Very high94Very high5 Ų553.3 Ų53.33%0.02629%0.289CS..Hα-helixtrans-80.6-19.2-17371.4-178000113.4W276 L305 L306 L347 L373 A379W276-I309 HydrophobicContact CH2-CD1 4.22Å; W276-I309 HydrophobicContact CH2-CG2 4.15Å; W276-I309 HydrophobicContact CZ2-CG2 3.66Å; L305-I309 HydrophobicContact CD1-CG2 3.97Å; L305-I309 WeakPolarHBondContact O-CG1 2.77Å; L305-I309 WeakPolarHBondContact O-CG2 3.47Å; L305-I309 PolarHBondContact O-N 2.9Å; L306-I309 PolarHBondContact O-N 3.12Å; I309-L347 HydrophobicContact CG1-CD1 4.35Å; I309-L373 HydrophobicContact CD1-CB 3.9Å; I309-L373 HydrophobicContact CD1-CD1 4.4Å; I309-L373 HydrophobicContact CD1-CD2 4.07Å; I309-L373 HydrophobicContact CD1-CG 4.36Å; I309-A379 HydrophobicContact CB-CB 4.07Å; I309-A379 HydrophobicContact CG2-CB 4.17Å
310A97.4Very high93.8Very high2 Ų260.9 Ų60.92%0.01732%0.318CS..SBendtrans-62132.8-179.500000111.9L306 K312 I323 L347L306-A310 WeakPolarHBondContact O-CB 3.45Å; L306-A310 PolarHBondContact O-N 3.46Å; A310-K312 WeakPolarHBondContact O-CD 3.14Å; A310-K312 VanDerWaalsContact O-CE 3.25Å; A310-K312 WeakPolarHBondContact O-CE 3.39Å; A310-K312 PolarHBondContact O-N 3.42Å; A310-K312 PolarHBondContact O-NZ 3.21Å; A310-I323 HydrophobicContact CB-CD1 3.92Å; A310-I323 HydrophobicContact CB-CG1 3.56Å; A310-L347 HydrophobicContact CB-CD1 4.41Å; A310-L347 HydrophobicContact CB-CD2 3.9Å
311P96Very high93.7Very high7 Ų759.6 Ų59.65%0.04531%0.313CS..  trans-48133178.1-35.339.1000115E318 P319 R320 I321 Y377P311-E318 HydrophobicContact CB-CG 3.76Å; P311-E318 HydrophobicContact CG-CG 4Å; P311-P319 WeakPolarHBondContact CB-O 3.45Å; P311-R320 WeakPolarHBondContact O-CA 3.42Å; P311-I321 HydrophobicContact CG-CD1 4.23Å; P311-I321 PolarHBondContact O-N 2.69Å; P311-Y377 HydrophobicContact CG-CD1 3.85Å; P311-Y377 HydrophobicContact CG-CE1 3.4Å
312K93.8Very high93.6Very high84 Ų8464 Ų6437%0.36534%0.336SS..  trans-93.5-5.4-178.9-54.7-53.4175.7-148.50114.2N307 A310 Q314N307-K312 PolarHBondContact O-NZ 3.07Å; A310-K312 WeakPolarHBondContact O-CD 3.14Å; A310-K312 VanDerWaalsContact O-CE 3.25Å; A310-K312 WeakPolarHBondContact O-CE 3.39Å; A310-K312 PolarHBondContact O-N 3.42Å; A310-K312 PolarHBondContact O-NZ 3.21Å; K312-Q314 VanDerWaalsContact C-N 3.35Å; K312-Q314 HydrophobicContact CB-CG 3.99Å
313G90.6Very high93.5Very high42 Ų4264.5 Ų64.543%0.43334%0.339SS..SBendtrans75.423.5-175.600000114.1E318G313-E318 WeakPolarHBondContact CA-O 3.04Å
314Q86.7Confident93.5Very high171 Ų17168.2 Ų68.280%0.79936%0.359SS*.  trans-92.7-22.8-177.4-67.3174.8-8.600112.7K312K312-Q314 VanDerWaalsContact C-N 3.35Å; K312-Q314 HydrophobicContact CB-CG 3.99Å
315K83.4Confident93.4Very high142 Ų14269.5 Ų69.562%0.61737%0.366SS*.SBendtrans-98.4141.2179.2-65.6179.3-179.8176.30110.1G317 E318K315-G317 PolarHBondContact O-N 3.17Å; K315-E318 HydrophobicContact CB-CB 4.12Å; K315-E318 PolarHBondContact O-N 3.04Å
316E84.5Confident93.2Very high208 Ų20873.5 Ų73.597%0.97239%0.394SS*.THydrogen-bonded Turntrans-59.2131.4174.6-170.6174.6-174.100110.3E318E316-E318 VanDerWaalsContact C-N 3.29Å; E316-E318 PolarHBondContact O-N 3.19Å
317G85Confident93.1Very high80 Ų8074 Ų7483%0.82540%0.399SS*.THydrogen-bonded Turntrans80.6-4.4-178.100000115.9K315 P319K315-G317 PolarHBondContact O-N 3.17Å; G317-P319 WeakPolarHBondContact O-CD 2.82Å
318E85.7Confident93.1Very high69 Ų6973 Ų7332%0.32239%0.392SS..  trans-106.397178.1-163.3-171-111.400110.5P311 G313 K315 E316P311-E318 HydrophobicContact CB-CG 3.76Å; P311-E318 HydrophobicContact CG-CG 4Å; G313-E318 WeakPolarHBondContact CA-O 3.04Å; K315-E318 HydrophobicContact CB-CB 4.12Å; K315-E318 PolarHBondContact O-N 3.04Å; E316-E318 VanDerWaalsContact C-N 3.29Å; E316-E318 PolarHBondContact O-N 3.19Å
319P90.7Very high93Very high96 Ų9676.5 Ų76.562%0.62341%0.413SS*.  trans-64.7142.1-18027.1-34000110.9P311 G317 I321P311-P319 WeakPolarHBondContact CB-O 3.45Å; G317-P319 WeakPolarHBondContact O-CD 2.82Å; P319-I321 PolarHBondContact O-N 3.27Å
320R95.2Very high93.1Very high160 Ų16079.3 Ų79.360%0.60443%0.426SS*.  trans-61.6133.2173.7179.9173.2171.6159.7-0110.5P311 D322P311-R320 WeakPolarHBondContact O-CA 3.42Å; R320-D322 IonicContact CZ-OD1 3.23Å; R320-D322 VanDerWaalsContact CZ-OD1 3.23Å; R320-D322 IonicContact NE-OD1 2.79Å; R320-D322 PolarHBondContact NE-OD1 3.49Å; R320-D322 IonicContact NE-OD2 3.36Å; R320-D322 PolarHBondContact NE-OD2 3.32Å; R320-D322 IonicContact NH2-OD1 2.79Å; R320-D322 PolarHBondContact NH2-OD1 2.86Å
321I96.3Very high93Very high37 Ų3785.2 Ų85.219%0.1946%0.462CS..  trans-121.1112.5173.9-56.3175.7000108.5P311 P319 K346 L347P311-I321 HydrophobicContact CG-CD1 4.23Å; P311-I321 PolarHBondContact O-N 2.69Å; P319-I321 PolarHBondContact O-N 3.27Å; I321-K346 HydrophobicContact CG2-CB 4.14Å; I321-L347 HydrophobicContact CB-CD2 4.13Å; I321-L347 HydrophobicContact CD1-CD2 3.92Å; I321-L347 HydrophobicContact CG2-CD2 3.83Å
322D96Very high93.1Very high96 Ų9687.9 Ų87.951%0.51348%0.475SS..  trans-87.7127.1179-68.4-60.3000111.9R320R320-D322 IonicContact CZ-OD1 3.23Å; R320-D322 VanDerWaalsContact CZ-OD1 3.23Å; R320-D322 IonicContact NE-OD1 2.79Å; R320-D322 PolarHBondContact NE-OD1 3.49Å; R320-D322 IonicContact NE-OD2 3.36Å; R320-D322 PolarHBondContact NE-OD2 3.32Å; R320-D322 IonicContact NH2-OD1 2.79Å; R320-D322 PolarHBondContact NH2-OD1 2.86Å
323I97.1Very high93.3Very high14 Ų1487.1 Ų87.17%0.07248%0.475CS..  trans-87.8122.3175.5-59.4-56.2000109.1L306 N307 A310 M325 Q343 L347L306-I323 HydrophobicContact CB-CD1 4.48Å; L306-I323 HydrophobicContact CB-CG1 4.46Å; L306-I323 HydrophobicContact CB-CG2 4.34Å; N307-I323 HydrophobicContact CB-CB 4.21Å; N307-I323 HydrophobicContact CB-CG2 4.21Å; A310-I323 HydrophobicContact CB-CD1 3.92Å; A310-I323 HydrophobicContact CB-CG1 3.56Å; I323-M325 HydrophobicContact CG2-SD 4.26Å; I323-M325 PolarHBondContact O-N 3.24Å; I323-Q343 HydrophobicContact CD1-CB 4.16Å; I323-Q343 HydrophobicContact CG2-CB 3.98Å; I323-Q343 HydrophobicContact CG2-CG 4Å; I323-L347 HydrophobicContact CD1-CD1 4.22Å; I323-L347 HydrophobicContact CD1-CD2 4.4Å; I323-L347 HydrophobicContact CD1-CG 4.19Å
324N96.5Very high93.7Very high77 Ų7789.1 Ų89.141%0.41248%0.476SS..  trans-81.7110.1178.5-177.6-5.7000110.1S326N324-S326 VanDerWaalsContact C-N 3.33Å; N324-S326 PolarHBondContact ND2-OG 2.88Å; N324-S326 VanDerWaalsContact ND2-OG 3.15Å; N324-S326 PolarHBondContact O-N 3.19Å; N324-S326 VanDerWaalsContact OD1-CB 3.24Å; N324-S326 WeakPolarHBondContact OD1-CB 3.33Å; N324-S326 PolarHBondContact OD1-N 3.34Å; N324-S326 PolarHBondContact OD1-OG 3.31Å
325M96.7Very high94.2Very high57 Ų5786.8 Ų86.828%0.28146%0.463SS..G310 helixtrans-82.5-0.5179.7-64.1-65.4-70.300114.3F303 N307 I323 G327 F328F303-M325 HydrophobicContact CB-CE 3.94Å; F303-M325 HydrophobicContact CB-SD 4.06Å; F303-M325 HydrophobicContact CD1-SD 3.98Å; F303-M325 HydrophobicContact CG-SD 4.46Å; N307-M325 HydrophobicContact CB-SD 4.11Å; I323-M325 HydrophobicContact CG2-SD 4.26Å; I323-M325 PolarHBondContact O-N 3.24Å; M325-G327 PolarHBondContact O-N 2.9Å; M325-F328 HydrophobicContact CE-CB 4.33Å; M325-F328 HydrophobicContact CE-CD2 3.98Å; M325-F328 HydrophobicContact CE-CG 4.27Å; M325-F328 WeakPolarHBondContact O-CB 3.25Å; M325-F328 PolarHBondContact O-N 2.84Å
326S95.7Very high95Very high87 Ų8780.4 Ų80.461%0.60844%0.435SS*.G310 helixtrans-59.6-32.6-178.856.20000113.6N324 F328N324-S326 VanDerWaalsContact C-N 3.33Å; N324-S326 PolarHBondContact ND2-OG 2.88Å; N324-S326 VanDerWaalsContact ND2-OG 3.15Å; N324-S326 PolarHBondContact O-N 3.19Å; N324-S326 VanDerWaalsContact OD1-CB 3.24Å; N324-S326 WeakPolarHBondContact OD1-CB 3.33Å; N324-S326 PolarHBondContact OD1-N 3.34Å; N324-S326 PolarHBondContact OD1-OG 3.31Å; S326-F328 PolarHBondContact O-N 3.32Å
327G95.9Very high95.6Very high10 Ų1070.5 Ų70.510%0.10339%0.389CS..G310 helixtrans-69.1-14.8175.300000114.2M325 N329 E330 R336M325-G327 PolarHBondContact O-N 2.9Å; G327-N329 VanDerWaalsContact C-N 3.27Å; G327-N329 PolarHBondContact O-N 3.39Å; G327-E330 VanDerWaalsContact O-CB 3.27Å; G327-E330 WeakPolarHBondContact O-CB 3.26Å; G327-E330 PolarHBondContact O-N 3.5Å; G327-E330 VanDerWaalsContact O-N 3.11Å; G327-R336 WeakPolarHBondContact O-CG 2.92Å
328F97Very high96.2Very high32 Ų3269.3 Ų69.314%0.1436%0.362CS..G310 helixtrans-60.1-34.7-177.4178.8-94.8000113.5W286 K300 F303 H304 M325 S326 R336W286-F328 HydrophobicContact CH2-CE2 4.37Å; W286-F328 AromaticContact CH2-CZ 3.76Å; W286-F328 HydrophobicContact CH2-CZ 3.76Å; W286-F328 HydrophobicContact CZ3-CE2 4.48Å; W286-F328 AromaticContact CZ3-CZ 3.79Å; W286-F328 HydrophobicContact CZ3-CZ 3.79Å; K300-F328 HydrophobicContact CB-CD2 4.37Å; K300-F328 HydrophobicContact CB-CE2 3.64Å; K300-F328 HydrophobicContact CB-CZ 4.23Å; K300-F328 HydrophobicContact CD-CE2 4.11Å; K300-F328 HydrophobicContact CD-CZ 3.95Å; K300-F328 HydrophobicContact CG-CD2 4.23Å; K300-F328 HydrophobicContact CG-CE2 3.73Å; K300-F328 HydrophobicContact CG-CZ 4.11Å; F303-F328 HydrophobicContact CB-CD2 3.85Å; F303-F328 HydrophobicContact CD2-CB 4.43Å; F303-F328 HydrophobicContact CD2-CD2 4.21Å; F303-F328 HydrophobicContact CG-CB 4.42Å; F303-F328 HydrophobicContact CG-CD2 4.17Å; H304-F328 AromaticContact CD2-CE2 3.62Å; H304-F328 AromaticContact NE2-CE2 3.42Å; H304-F328 WeakPolarHBondContact NE2-CE2 3.27Å; H304-F328 AromaticContact NE2-CZ 3.65Å; M325-F328 HydrophobicContact CE-CB 4.33Å; M325-F328 HydrophobicContact CE-CD2 3.98Å; M325-F328 HydrophobicContact CE-CG 4.27Å; M325-F328 WeakPolarHBondContact O-CB 3.25Å; M325-F328 PolarHBondContact O-N 2.84Å; S326-F328 PolarHBondContact O-N 3.32Å; F328-R336 WeakPolarHBondContact O-CD 3.49Å
329N96.5Very high96.9Very high131 Ų13167.5 Ų67.570%0.70136%0.357SS*.G310 helixtrans-91.95-179.2-68.4-42.6000113.4G327 T331G327-N329 VanDerWaalsContact C-N 3.27Å; G327-N329 PolarHBondContact O-N 3.39Å; N329-T331 PolarHBondContact O-N 2.72Å
330E97.7Very high97.2Very high64 Ų6463 Ų6330%0.29933%0.327SS..  trans-58.3131.3173.5175.453.5-10500109.4G327 D332 K335 R336G327-E330 VanDerWaalsContact O-CB 3.27Å; G327-E330 WeakPolarHBondContact O-CB 3.26Å; G327-E330 PolarHBondContact O-N 3.5Å; G327-E330 VanDerWaalsContact O-N 3.11Å; E330-D332 HydrophobicContact CG-CB 4.47Å; E330-D332 PolarHBondContact OE1-N 2.98Å; E330-K335 HydrophobicContact CG-CB 3.63Å; E330-R336 HydrophobicContact CB-CB 3.96Å; E330-R336 HydrophobicContact CB-CG 4.38Å; E330-R336 HydrophobicContact CG-CB 4.14Å; E330-R336 WeakPolarHBondContact O-CD 3.44Å; E330-R336 PolarHBondContact O-NH1 3.17Å
331T96.8Very high97.4Very high125 Ų12555.3 Ų55.377%0.76730%0.298SS*.SBendtrans-77.9-30.9-17553.20000112.7N329N329-T331 PolarHBondContact O-N 2.72Å
332D98.1Very high97.5Very high63 Ų6358.1 Ų58.134%0.33731%0.31SS..SBendtrans-84.5120178.3-178.6-55000110.4E330 L334 K335 R336E330-D332 HydrophobicContact CG-CB 4.47Å; E330-D332 PolarHBondContact OE1-N 2.98Å; D332-L334 VanDerWaalsContact C-N 3.31Å; D332-L334 PolarHBondContact O-N 3.33Å; D332-L334 WeakPolarHBondContact OD1-CA 3.12Å; D332-L334 WeakPolarHBondContact OD1-CB 3.44Å; D332-L334 PolarHBondContact OD1-N 3.48Å; D332-K335 HydrophobicContact CB-CB 4.06Å; D332-K335 HydrophobicContact CB-CD 3.95Å; D332-K335 HydrophobicContact CB-CG 4.04Å; D332-K335 PolarHBondContact O-N 3.18Å; D332-K335 PolarHBondContact OD1-N 3.3Å; D332-R336 VanDerWaalsContact O-CB 3.31Å; D332-R336 WeakPolarHBondContact O-CB 3.31Å; D332-R336 PolarHBondContact O-N 3.09Å
333D97.6Very high97.6Very high68 Ų6854.1 Ų54.136%0.36429%0.289SS..Hα-helixtrans-60.8-37-175.9-66.7-5.8000112.9R336 A337 V359D333-R336 PolarHBondContact O-N 3.24Å; D333-R336 IonicContact OD1-CZ 3.59Å; D333-R336 VanDerWaalsContact OD1-CZ 3.24Å; D333-R336 IonicContact OD1-NH1 2.78Å; D333-R336 PolarHBondContact OD1-NH1 3.17Å; D333-R336 IonicContact OD1-NH2 3.25Å; D333-R336 PolarHBondContact OD1-NH2 3.44Å; D333-A337 VanDerWaalsContact O-CB 3.29Å; D333-A337 WeakPolarHBondContact O-CB 3.22Å; D333-A337 PolarHBondContact O-N 2.87Å; D333-V359 HydrophobicContact CB-CG1 4.09Å; D333-V359 HydrophobicContact CB-CG2 3.87Å; D333-V359 WeakPolarHBondContact O-CG2 3.21Å
334L98.1Very high97.6Very high85 Ų8553.4 Ų53.445%0.44529%0.285SS..Hα-helixtrans-70.2-43.5178.8-75.3170.7000111.1D332 R336 A337 E338 P355 A356 V359D332-L334 VanDerWaalsContact C-N 3.31Å; D332-L334 PolarHBondContact O-N 3.33Å; D332-L334 WeakPolarHBondContact OD1-CA 3.12Å; D332-L334 WeakPolarHBondContact OD1-CB 3.44Å; D332-L334 PolarHBondContact OD1-N 3.48Å; L334-R336 VanDerWaalsContact C-N 3.32Å; L334-R336 PolarHBondContact O-N 3.35Å; L334-A337 PolarHBondContact O-N 3.46Å; L334-E338 PolarHBondContact O-N 2.5Å; L334-P355 HydrophobicContact CD2-CB 4.26Å; L334-A356 HydrophobicContact CD2-CB 4.37Å; L334-V359 HydrophobicContact CD2-CB 4.05Å; L334-V359 HydrophobicContact CD2-CG1 4.45Å; L334-V359 HydrophobicContact CD2-CG2 3.91Å; L334-V359 HydrophobicContact CG-CG2 4.3Å
335K98.5Very high97.6Very high121 Ų12154.4 Ų54.453%0.52629%0.29SS..Hα-helixtrans-66.6-35.8176-66.1-178.5-172167.30112E330 D332 E338 S339E330-K335 HydrophobicContact CG-CB 3.63Å; D332-K335 HydrophobicContact CB-CB 4.06Å; D332-K335 HydrophobicContact CB-CD 3.95Å; D332-K335 HydrophobicContact CB-CG 4.04Å; D332-K335 PolarHBondContact O-N 3.18Å; D332-K335 PolarHBondContact OD1-N 3.3Å; K335-E338 PolarHBondContact O-N 3.49Å; K335-S339 WeakPolarHBondContact O-CB 3.44Å; K335-S339 PolarHBondContact O-N 2.47Å; K335-S339 PolarHBondContact O-OG 3.46Å
336R98.5Very high97.7Very high9 Ų956.7 Ų56.73%0.03430%0.299CS..Hα-helixtrans-66-45.4174.9-171.6160.667.9-96.7-8.3111.3D298 F303 G327 F328 E330 D332 D333 L334 E338 S339 M340D298-R336 VanDerWaalsContact CA-NH2 3.29Å; D298-R336 PolarHBondContact O-NE 3.43Å; D298-R336 PolarHBondContact O-NH2 3.45Å; F303-R336 HydrophobicContact CD2-CG 4.49Å; F303-R336 HydrophobicContact CE2-CG 3.77Å; G327-R336 WeakPolarHBondContact O-CG 2.92Å; F328-R336 WeakPolarHBondContact O-CD 3.49Å; E330-R336 HydrophobicContact CB-CB 3.96Å; E330-R336 HydrophobicContact CB-CG 4.38Å; E330-R336 HydrophobicContact CG-CB 4.14Å; E330-R336 WeakPolarHBondContact O-CD 3.44Å; E330-R336 PolarHBondContact O-NH1 3.17Å; D332-R336 VanDerWaalsContact O-CB 3.31Å; D332-R336 WeakPolarHBondContact O-CB 3.31Å; D332-R336 PolarHBondContact O-N 3.09Å; D333-R336 PolarHBondContact O-N 3.24Å; D333-R336 IonicContact OD1-CZ 3.59Å; D333-R336 VanDerWaalsContact OD1-CZ 3.24Å; D333-R336 IonicContact OD1-NH1 2.78Å; D333-R336 PolarHBondContact OD1-NH1 3.17Å; D333-R336 IonicContact OD1-NH2 3.25Å; D333-R336 PolarHBondContact OD1-NH2 3.44Å; L334-R336 VanDerWaalsContact C-N 3.32Å; L334-R336 PolarHBondContact O-N 3.35Å; R336-E338 PolarHBondContact O-N 3.42Å; R336-S339 WeakPolarHBondContact O-CB 3.16Å; R336-S339 PolarHBondContact O-N 3.21Å; R336-M340 WeakPolarHBondContact O-CB 3.28Å; R336-M340 PolarHBondContact O-N 3.09Å
337A98.4Very high97.7Very high0 Ų052.6 Ų52.60%027%0.27CS..Hα-helixtrans-60.4-43174.500000111.8S299 D333 L334 S339 M340 L341 P355 V358 V359S299-A337 WeakPolarHBondContact OG-CA 3.39Å; S299-A337 VanDerWaalsContact OG-CB 3.3Å; S299-A337 WeakPolarHBondContact OG-CB 3.17Å; D333-A337 VanDerWaalsContact O-CB 3.29Å; D333-A337 WeakPolarHBondContact O-CB 3.22Å; D333-A337 PolarHBondContact O-N 2.87Å; L334-A337 PolarHBondContact O-N 3.46Å; A337-S339 PolarHBondContact O-N 3Å; A337-M340 WeakPolarHBondContact O-CB 3.49Å; A337-M340 PolarHBondContact O-N 2.9Å; A337-L341 WeakPolarHBondContact O-CG 3.2Å; A337-L341 PolarHBondContact O-N 2.97Å; A337-P355 HydrophobicContact CB-CB 3.94Å; A337-V358 HydrophobicContact CB-CB 4.2Å; A337-V358 HydrophobicContact CB-CG1 4.35Å; A337-V359 HydrophobicContact CB-CG2 3.99Å
338E98.4Very high97.6Very high55 Ų5554.1 Ų54.126%0.25729%0.285SS..Hα-helixtrans-62.1-44.1174.8178.951.2-140.800112L334 K335 R336 M340 L341 Q342 R350 P355L334-E338 PolarHBondContact O-N 2.5Å; K335-E338 PolarHBondContact O-N 3.49Å; R336-E338 PolarHBondContact O-N 3.42Å; E338-M340 VanDerWaalsContact C-N 3.27Å; E338-M340 PolarHBondContact O-N 2.9Å; E338-L341 PolarHBondContact O-N 2.95Å; E338-Q342 WeakPolarHBondContact O-CG 3.42Å; E338-Q342 PolarHBondContact O-N 2.95Å; E338-Q342 WeakPolarHBondContact OE1-CG 3.41Å; E338-Q342 PolarHBondContact OE1-NE2 3.35Å; E338-R350 IonicContact OE1-CZ 3.66Å; E338-R350 IonicContact OE1-NH1 2.89Å; E338-R350 PolarHBondContact OE1-NH1 2.97Å; E338-R350 IonicContact OE1-NH2 2.81Å; E338-R350 PolarHBondContact OE1-NH2 3.38Å; E338-R350 IonicContact OE2-CZ 2.75Å; E338-R350 IonicContact OE2-NH1 2.73Å; E338-R350 IonicContact OE2-NH2 3.74Å; E338-R350 PolarHBondContact OE2-NH2 2.89Å; E338-P355 HydrophobicContact CB-CB 4.38Å; E338-P355 HydrophobicContact CB-CG 3.78Å; E338-P355 HydrophobicContact CG-CG 4.46Å; E338-P355 WeakPolarHBondContact OE2-CG 3.43Å
339S98.4Very high97.6Very high31 Ų3152.6 Ų52.622%0.21728%0.279CS..Hα-helixtrans-60.8-38.3176.3-61.20000112.1K335 R336 A337 Q343K335-S339 WeakPolarHBondContact O-CB 3.44Å; K335-S339 PolarHBondContact O-N 2.47Å; K335-S339 PolarHBondContact O-OG 3.46Å; R336-S339 WeakPolarHBondContact O-CB 3.16Å; R336-S339 PolarHBondContact O-N 3.21Å; A337-S339 PolarHBondContact O-N 3Å; S339-Q343 WeakPolarHBondContact O-CG 3.31Å; S339-Q343 PolarHBondContact O-N 3.13Å; S339-Q343 PolarHBondContact O-NE2 2.88Å
340M98.4Very high97.5Very high0 Ų049.6 Ų49.60%026%0.258CS..Hα-helixtrans-64.4-47174.3-178.1-81.4-65.200111.1Y302 F303 L306 R336 A337 E338 Q342 Q343 A344 V358 F369Y302-M340 HydrophobicContact CD2-CE 3.66Å; Y302-M340 HydrophobicContact CD2-SD 4.34Å; Y302-M340 HydrophobicContact CG-CE 4.23Å; Y302-M340 HydrophobicContact CG-SD 4.33Å; F303-M340 HydrophobicContact CD2-CB 3.96Å; F303-M340 HydrophobicContact CD2-CG 4.16Å; F303-M340 HydrophobicContact CE1-CB 4.33Å; F303-M340 HydrophobicContact CE2-CB 3.56Å; F303-M340 HydrophobicContact CE2-CG 4.27Å; F303-M340 HydrophobicContact CG-CB 4.5Å; F303-M340 HydrophobicContact CG-CG 4.41Å; F303-M340 HydrophobicContact CZ-CB 3.76Å; L306-M340 HydrophobicContact CD1-CG 3.79Å; L306-M340 HydrophobicContact CD1-SD 3.7Å; R336-M340 WeakPolarHBondContact O-CB 3.28Å; R336-M340 PolarHBondContact O-N 3.09Å; A337-M340 WeakPolarHBondContact O-CB 3.49Å; A337-M340 PolarHBondContact O-N 2.9Å; E338-M340 VanDerWaalsContact C-N 3.27Å; E338-M340 PolarHBondContact O-N 2.9Å; M340-Q342 VanDerWaalsContact C-N 3.29Å; M340-Q342 PolarHBondContact O-N 3.45Å; M340-Q343 WeakPolarHBondContact O-CA 3.33Å; M340-Q343 WeakPolarHBondContact O-CB 3.35Å; M340-Q343 PolarHBondContact O-N 3.15Å; M340-A344 PolarHBondContact O-N 3.04Å; M340-V358 HydrophobicContact CE-CG1 4.3Å; M340-V358 HydrophobicContact CE-CG2 3.98Å; M340-F369 HydrophobicContact CE-CE1 4.47Å; M340-F369 HydrophobicContact SD-CE1 4.29Å; M340-F369 HydrophobicContact SD-CZ 4.06Å
341L98.4Very high97.2Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-66.8-29179.4-68.3177.4000113.1A337 E338 Q343 A344 D345 R350 V353 P355 F369A337-L341 WeakPolarHBondContact O-CG 3.2Å; A337-L341 PolarHBondContact O-N 2.97Å; E338-L341 PolarHBondContact O-N 2.95Å; L341-Q343 VanDerWaalsContact C-N 3.26Å; L341-Q343 PolarHBondContact O-N 3.19Å; L341-A344 PolarHBondContact O-N 3.21Å; L341-D345 WeakPolarHBondContact O-CB 3.35Å; L341-D345 PolarHBondContact O-N 2.99Å; L341-R350 HydrophobicContact CB-CG 4.45Å; L341-V353 HydrophobicContact CD2-CG2 3.6Å; L341-P355 HydrophobicContact CD1-CG 4.01Å; L341-F369 HydrophobicContact CD2-CE2 4.09Å; L341-F369 HydrophobicContact CD2-CZ 4.09Å
342Q98.2Very high97.2Very high95 Ų9543.1 Ų43.144%0.44422%0.219SC..Hα-helixtrans-64.3-32.1168.4-70.8170.7700112.1E338 M340 K346E338-Q342 WeakPolarHBondContact O-CG 3.42Å; E338-Q342 PolarHBondContact O-N 2.95Å; E338-Q342 WeakPolarHBondContact OE1-CG 3.41Å; E338-Q342 PolarHBondContact OE1-NE2 3.35Å; M340-Q342 VanDerWaalsContact C-N 3.29Å; M340-Q342 PolarHBondContact O-N 3.45Å; Q342-K346 PolarHBondContact O-N 3.49Å
343Q98.2Very high97.1Very high12 Ų1240.5 Ų40.56%0.05621%0.205CC..Hα-helixtrans-74.8-37.6173.4-53.2-37.9-67.400111.5F303 L306 I323 S339 M340 L341 D345 K346F303-Q343 HydrophobicContact CE1-CG 4.09Å; L306-Q343 HydrophobicContact CD1-CB 4.09Å; I323-Q343 HydrophobicContact CD1-CB 4.16Å; I323-Q343 HydrophobicContact CG2-CB 3.98Å; I323-Q343 HydrophobicContact CG2-CG 4Å; S339-Q343 WeakPolarHBondContact O-CG 3.31Å; S339-Q343 PolarHBondContact O-N 3.13Å; S339-Q343 PolarHBondContact O-NE2 2.88Å; M340-Q343 WeakPolarHBondContact O-CA 3.33Å; M340-Q343 WeakPolarHBondContact O-CB 3.35Å; M340-Q343 PolarHBondContact O-N 3.15Å; L341-Q343 VanDerWaalsContact C-N 3.26Å; L341-Q343 PolarHBondContact O-N 3.19Å; Q343-D345 PolarHBondContact O-N 2.92Å; Q343-K346 WeakPolarHBondContact O-CB 3.49Å; Q343-K346 PolarHBondContact O-N 3.45Å
344A98.1Very high97Very high0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-62.5-32.4171.700000112.3L306 M340 L341 L347 G348 C349 F369L306-A344 HydrophobicContact CD1-CB 4.2Å; L306-A344 HydrophobicContact CD2-CB 3.98Å; M340-A344 PolarHBondContact O-N 3.04Å; L341-A344 PolarHBondContact O-N 3.21Å; A344-L347 CarbonylContact O-C 3.54Å; A344-L347 WeakPolarHBondContact O-CA 3.47Å; A344-L347 WeakPolarHBondContact O-CB 3.5Å; A344-L347 PolarHBondContact O-N 3.12Å; A344-L347 VanDerWaalsContact O-N 3.15Å; A344-G348 PolarHBondContact O-N 3.38Å; A344-G348 VanDerWaalsContact O-N 3.15Å; A344-C349 PolarHBondContact O-N 3.08Å; A344-F369 HydrophobicContact CB-CE2 3.9Å; A344-F369 HydrophobicContact CB-CZ 3.89Å
345D97.1Very high97Very high97 Ų9736.1 Ų36.152%0.51919%0.185SC..Hα-helixtrans-66.9-34.5176.5-164.152.9000113L341 Q343 L347 G348 R350L341-D345 WeakPolarHBondContact O-CB 3.35Å; L341-D345 PolarHBondContact O-N 2.99Å; Q343-D345 PolarHBondContact O-N 2.92Å; D345-L347 PolarHBondContact O-N 2.9Å; D345-G348 VanDerWaalsContact O-CA 3.32Å; D345-G348 WeakPolarHBondContact O-CA 3.49Å; D345-G348 PolarHBondContact O-N 2.86Å; D345-R350 HydrophobicContact CB-CB 4.09Å
346K96.9Very high96.8Very high105 Ų10532.8 Ų32.846%0.45718%0.18SC..Hα-helixtrans-61.4-31.2171.2-65.6175.7176.51750112.7I321 Q342 Q343 G348I321-K346 HydrophobicContact CG2-CB 4.14Å; Q342-K346 PolarHBondContact O-N 3.49Å; Q343-K346 WeakPolarHBondContact O-CB 3.49Å; Q343-K346 PolarHBondContact O-N 3.45Å; K346-G348 VanDerWaalsContact C-N 3.25Å
347L96.2Very high96.6Very high2 Ų232.6 Ų32.61%0.0118%0.179CC..THydrogen-bonded Turntrans-81.8-6.1172-61.8-178.5000111.6L306 I309 A310 I321 I323 A344 D345 C349 K376 Y377L306-L347 HydrophobicContact CD2-CD1 3.77Å; I309-L347 HydrophobicContact CG1-CD1 4.35Å; A310-L347 HydrophobicContact CB-CD1 4.41Å; A310-L347 HydrophobicContact CB-CD2 3.9Å; I321-L347 HydrophobicContact CB-CD2 4.13Å; I321-L347 HydrophobicContact CD1-CD2 3.92Å; I321-L347 HydrophobicContact CG2-CD2 3.83Å; I323-L347 HydrophobicContact CD1-CD1 4.22Å; I323-L347 HydrophobicContact CD1-CD2 4.4Å; I323-L347 HydrophobicContact CD1-CG 4.19Å; A344-L347 CarbonylContact O-C 3.54Å; A344-L347 WeakPolarHBondContact O-CA 3.47Å; A344-L347 WeakPolarHBondContact O-CB 3.5Å; A344-L347 PolarHBondContact O-N 3.12Å; A344-L347 VanDerWaalsContact O-N 3.15Å; D345-L347 PolarHBondContact O-N 2.9Å; L347-C349 VanDerWaalsContact C-N 3.31Å; L347-C349 HydrophobicContact CB-CB 4.41Å; L347-K376 WeakPolarHBondContact O-CD 3.27Å; L347-K376 VanDerWaalsContact O-CE 3.23Å; L347-K376 WeakPolarHBondContact O-CE 3.43Å; L347-K376 PolarHBondContact O-NZ 2.8Å; L347-Y377 HydrophobicContact CB-CD2 4.3Å; L347-Y377 HydrophobicContact CB-CE2 3.73Å; L347-Y377 HydrophobicContact CD1-CD2 4.48Å; L347-Y377 HydrophobicContact CD2-CE2 4.06Å; L347-Y377 HydrophobicContact CG-CE2 4.34Å; L347-Y377 WeakPolarHBondContact O-CE2 3.4Å
348G94.6Very high96.5Very high41 Ų4132.6 Ų32.642%0.42318%0.179SC..THydrogen-bonded Turntrans60.339.1-172.100000112.6A344 D345 K346 K376A344-G348 PolarHBondContact O-N 3.38Å; A344-G348 VanDerWaalsContact O-N 3.15Å; D345-G348 VanDerWaalsContact O-CA 3.32Å; D345-G348 WeakPolarHBondContact O-CA 3.49Å; D345-G348 PolarHBondContact O-N 2.86Å; K346-G348 VanDerWaalsContact C-N 3.25Å; G348-K376 PolarHBondContact O-NZ 3.26Å
349C95.8Very high96.4Very high0 Ų031.4 Ų31.40%018%0.176CC..  trans-121.812.9-177.7-67.80000114.1A344 L347 Q351 F369 N372 L373 K376A344-C349 PolarHBondContact O-N 3.08Å; L347-C349 VanDerWaalsContact C-N 3.31Å; L347-C349 HydrophobicContact CB-CB 4.41Å; C349-Q351 PolarHBondContact O-N 2.91Å; C349-F369 WeakPolarHBondContact O-CD2 3.44Å; C349-F369 VanDerWaalsContact O-CE2 3.29Å; C349-F369 WeakPolarHBondContact O-CE2 3.33Å; C349-N372 WeakPolarHBondContact CA-ND2 3.46Å; C349-N372 PolarHBondContact O-ND2 3.33Å; C349-L373 HydrophobicContact CB-CD2 3.38Å; C349-L373 HydrophobicContact CB-CG 4.42Å; C349-K376 WeakPolarHBondContact SG-CD 3.32Å
350R94.4Very high96Very high69 Ų6933.3 Ų33.326%0.2619%0.189SC..  trans-61.2-14.2-175.1-177.3170.4179.1111.15.4115.3E338 L341 D345E338-R350 IonicContact OE1-CZ 3.66Å; E338-R350 IonicContact OE1-NH1 2.89Å; E338-R350 PolarHBondContact OE1-NH1 2.97Å; E338-R350 IonicContact OE1-NH2 2.81Å; E338-R350 PolarHBondContact OE1-NH2 3.38Å; E338-R350 IonicContact OE2-CZ 2.75Å; E338-R350 IonicContact OE2-NH1 2.73Å; E338-R350 IonicContact OE2-NH2 3.74Å; E338-R350 PolarHBondContact OE2-NH2 2.89Å; L341-R350 HydrophobicContact CB-CG 4.45Å; D345-R350 HydrophobicContact CB-CB 4.09Å
351Q93.1Very high95.6Very high46 Ų4633.4 Ų33.422%0.21519%0.19CC..THydrogen-bonded Turntrans-57.3160-173-59.1-66.972.700113.7N131 W132 C349 V353 F369N131-Q351 PolarHBondContact O-NE2 2.81Å; N131-Q351 VanDerWaalsContact O-NE2 3.11Å; W132-Q351 HydrophobicContact CE3-CB 4.07Å; W132-Q351 HydrophobicContact CE3-CG 4.12Å; W132-Q351 HydrophobicContact CZ3-CB 4.4Å; W132-Q351 HydrophobicContact CZ3-CG 4.33Å; C349-Q351 PolarHBondContact O-N 2.91Å; Q351-V353 VanDerWaalsContact C-N 3.34Å; Q351-V353 PolarHBondContact O-N 3.28Å; Q351-F369 WeakPolarHBondContact O-CD2 3.46Å
352F95Very high95.2Very high6 Ų634.6 Ų34.63%0.02620%0.197CC..THydrogen-bonded Turntrans77.8-33.6177.1-56.7-71.3000118.3A128 W132 I235 L239 A368 F369 N372A128-F352 WeakPolarHBondContact CB-O 3.49Å; W132-F352 HydrophobicContact CB-CE1 3.96Å; W132-F352 HydrophobicContact CB-CZ 4.34Å; W132-F352 AromaticContact CD2-CE1 3.87Å; W132-F352 HydrophobicContact CD2-CE1 3.87Å; W132-F352 HydrophobicContact CD2-CE2 4.14Å; W132-F352 AromaticContact CD2-CZ 3.35Å; W132-F352 HydrophobicContact CD2-CZ 3.35Å; W132-F352 AromaticContact CE2-CZ 3.81Å; W132-F352 HydrophobicContact CE3-CE1 4.13Å; W132-F352 AromaticContact CE3-CE2 3.65Å; W132-F352 HydrophobicContact CE3-CE2 3.65Å; W132-F352 AromaticContact CE3-CZ 3.36Å; W132-F352 HydrophobicContact CE3-CZ 3.36Å; W132-F352 AromaticContact CG-CE1 3.78Å; W132-F352 HydrophobicContact CG-CE1 3.78Å; W132-F352 AromaticContact CG-CZ 3.79Å; W132-F352 HydrophobicContact CG-CZ 3.79Å; W132-F352 HydrophobicContact CH2-CE2 4.38Å; W132-F352 HydrophobicContact CH2-CZ 4.23Å; W132-F352 HydrophobicContact CZ2-CZ 4.23Å; W132-F352 AromaticContact CZ3-CE2 3.79Å; W132-F352 HydrophobicContact CZ3-CE2 3.79Å; W132-F352 AromaticContact CZ3-CZ 3.82Å; W132-F352 HydrophobicContact CZ3-CZ 3.82Å; I235-F352 HydrophobicContact CG2-CE1 3.82Å; I235-F352 HydrophobicContact CG2-CZ 4.03Å; L239-F352 HydrophobicContact CD1-CE1 4.3Å; L239-F352 HydrophobicContact CD1-CE2 4.03Å; L239-F352 HydrophobicContact CD1-CZ 3.73Å; L239-F352 HydrophobicContact CD2-CE2 4.01Å; L239-F352 HydrophobicContact CD2-CZ 4.03Å; L239-F352 HydrophobicContact CG-CZ 4.32Å; F352-A368 HydrophobicContact CB-CB 3.95Å; F352-A368 HydrophobicContact CD1-CB 3.71Å; F352-A368 HydrophobicContact CD2-CB 3.93Å; F352-A368 HydrophobicContact CE1-CB 4.17Å; F352-A368 HydrophobicContact CE2-CB 4.36Å; F352-A368 HydrophobicContact CG-CB 3.57Å; F352-A368 HydrophobicContact CZ-CB 4.46Å; F352-F369 HydrophobicContact CB-CB 4.39Å; F352-N372 HydrophobicContact CD2-CB 4.09Å; F352-N372 HydrophobicContact CE2-CB 3.92Å
353V96.3Very high94.6Very high9 Ų932.5 Ų32.56%0.05519%0.191CC..  trans-122.7140.6-175-700000112.8L341 Q351 D357 V358 L365 F369L341-V353 HydrophobicContact CD2-CG2 3.6Å; Q351-V353 VanDerWaalsContact C-N 3.34Å; Q351-V353 PolarHBondContact O-N 3.28Å; V353-D357 HydrophobicContact CB-CB 4.16Å; V353-D357 HydrophobicContact CG1-CB 4.17Å; V353-V358 HydrophobicContact CB-CG2 4.04Å; V353-V358 HydrophobicContact CG2-CG2 4.09Å; V353-L365 HydrophobicContact CG1-CB 3.8Å; V353-L365 WeakPolarHBondContact CG1-O 3.22Å; V353-F369 HydrophobicContact CG1-CB 3.91Å; V353-F369 HydrophobicContact CG1-CG 4.49Å; V353-F369 HydrophobicContact CG2-CB 3.83Å; V353-F369 HydrophobicContact CG2-CD1 4.09Å; V353-F369 HydrophobicContact CG2-CD2 3.61Å; V353-F369 HydrophobicContact CG2-CE2 4.13Å; V353-F369 HydrophobicContact CG2-CG 3.57Å
354T95.7Very high94.1Very high37 Ų3733.8 Ų33.823%0.22720%0.196CC..  trans-95.4167.8161.271.40000110.1Y127 A356 D357 V358Y127-T354 HydrophobicContact CD1-CG2 3.9Å; Y127-T354 HydrophobicContact CE1-CG2 3.75Å; T354-A356 PolarHBondContact O-N 3.21Å; T354-A356 PolarHBondContact OG1-N 2.82Å; T354-D357 WeakPolarHBondContact CA-OD2 3.28Å; T354-D357 VanDerWaalsContact CB-OD2 3.28Å; T354-D357 WeakPolarHBondContact CB-OD2 3.4Å; T354-D357 WeakPolarHBondContact CG2-OD2 3.36Å; T354-D357 PolarHBondContact N-OD2 3.28Å; T354-D357 PolarHBondContact O-N 3.02Å; T354-D357 PolarHBondContact OG1-N 2.88Å; T354-D357 PolarHBondContact OG1-OD2 3.15Å; T354-V358 PolarHBondContact O-N 2.94Å
355P97.5Very high94Very high24 Ų2433.8 Ų33.816%0.15620%0.196CC..Hα-helixtrans-53.9-36.7172.4-27.635.9000113.2L334 A337 E338 L341 V358 V359L334-P355 HydrophobicContact CD2-CB 4.26Å; A337-P355 HydrophobicContact CB-CB 3.94Å; E338-P355 HydrophobicContact CB-CB 4.38Å; E338-P355 HydrophobicContact CB-CG 3.78Å; E338-P355 HydrophobicContact CG-CG 4.46Å; E338-P355 WeakPolarHBondContact OE2-CG 3.43Å; L341-P355 HydrophobicContact CD1-CG 4.01Å; P355-V358 PolarHBondContact O-N 3.14Å; P355-V359 VanDerWaalsContact O-CG2 3.31Å; P355-V359 WeakPolarHBondContact O-CG2 3.18Å; P355-V359 PolarHBondContact O-N 3.08Å
356A95.2Very high93.9Very high51 Ų5129.1 Ų29.142%0.42117%0.172SC..Hα-helixtrans-68.1-34178.500000112.5L334 T354 V359 S360L334-A356 HydrophobicContact CD2-CB 4.37Å; T354-A356 PolarHBondContact O-N 3.21Å; T354-A356 PolarHBondContact OG1-N 2.82Å; A356-V359 PolarHBondContact O-N 3.18Å; A356-S360 WeakPolarHBondContact O-CB 3.39Å; A356-S360 PolarHBondContact O-N 3.48Å; A356-S360 PolarHBondContact O-OG 3.46Å
357D93.7Very high93.9Very high4 Ų425.1 Ų25.12%0.02116%0.155CC..Hα-helixtrans-69.7-38.2178.3-57.8-44.5000112E124 V353 T354 S360 G361 N362 L365 N366E124-D357 VanDerWaalsContact CB-OD1 3.26Å; E124-D357 WeakPolarHBondContact CB-OD1 3.2Å; E124-D357 WeakPolarHBondContact CG-OD1 3.33Å; V353-D357 HydrophobicContact CB-CB 4.16Å; V353-D357 HydrophobicContact CG1-CB 4.17Å; T354-D357 WeakPolarHBondContact CA-OD2 3.28Å; T354-D357 VanDerWaalsContact CB-OD2 3.28Å; T354-D357 WeakPolarHBondContact CB-OD2 3.4Å; T354-D357 WeakPolarHBondContact CG2-OD2 3.36Å; T354-D357 PolarHBondContact N-OD2 3.28Å; T354-D357 PolarHBondContact O-N 3.02Å; T354-D357 PolarHBondContact OG1-N 2.88Å; T354-D357 PolarHBondContact OG1-OD2 3.15Å; D357-S360 WeakPolarHBondContact CA-OG 3.31Å; D357-S360 PolarHBondContact O-OG 2.81Å; D357-S360 VanDerWaalsContact O-OG 3.1Å; D357-G361 PolarHBondContact O-N 3.25Å; D357-G361 VanDerWaalsContact O-N 3.12Å; D357-N362 HydrophobicContact CB-CB 4.43Å; D357-N362 PolarHBondContact O-N 2.64Å; D357-L365 HydrophobicContact CB-CD1 4.18Å; D357-N366 PolarHBondContact O-ND2 3.28Å; D357-N366 VanDerWaalsContact O-ND2 3.11Å
358V97Very high93.9Very high0 Ų025 Ų250%016%0.155CC..Hα-helixtrans-65.1-52.6173.8-178.60000109.6I296 K297 S299 Y302 A337 M340 V353 T354 P355 S360 G361I296-V358 HydrophobicContact CD1-CG1 4.32Å; I296-V358 WeakPolarHBondContact CD1-O 3.2Å; K297-V358 WeakPolarHBondContact CA-O 3.42Å; S299-V358 WeakPolarHBondContact OG-CG1 3.38Å; Y302-V358 HydrophobicContact CD2-CG1 4.1Å; Y302-V358 HydrophobicContact CE2-CG1 4.08Å; A337-V358 HydrophobicContact CB-CB 4.2Å; A337-V358 HydrophobicContact CB-CG1 4.35Å; M340-V358 HydrophobicContact CE-CG1 4.3Å; M340-V358 HydrophobicContact CE-CG2 3.98Å; V353-V358 HydrophobicContact CB-CG2 4.04Å; V353-V358 HydrophobicContact CG2-CG2 4.09Å; T354-V358 PolarHBondContact O-N 2.94Å; P355-V358 PolarHBondContact O-N 3.14Å; V358-S360 VanDerWaalsContact C-N 3.33Å; V358-S360 PolarHBondContact O-N 3.29Å; V358-G361 PolarHBondContact O-N 3.02Å
359V96.2Very high94.1Very high31 Ų3123.1 Ų23.119%0.18814%0.135CC..Hα-helixtrans-69-29.7-176.4175.70000112.8K297 D333 L334 A337 P355 A356 G361K297-V359 WeakPolarHBondContact CE-O 3.34Å; D333-V359 HydrophobicContact CB-CG1 4.09Å; D333-V359 HydrophobicContact CB-CG2 3.87Å; D333-V359 WeakPolarHBondContact O-CG2 3.21Å; L334-V359 HydrophobicContact CD2-CB 4.05Å; L334-V359 HydrophobicContact CD2-CG1 4.45Å; L334-V359 HydrophobicContact CD2-CG2 3.91Å; L334-V359 HydrophobicContact CG-CG2 4.3Å; A337-V359 HydrophobicContact CB-CG2 3.99Å; P355-V359 VanDerWaalsContact O-CG2 3.31Å; P355-V359 WeakPolarHBondContact O-CG2 3.18Å; P355-V359 PolarHBondContact O-N 3.08Å; A356-V359 PolarHBondContact O-N 3.18Å; V359-G361 VanDerWaalsContact C-N 3.29Å
360S91.1Very high94.2Very high71 Ų7123.1 Ų23.150%0.49714%0.135SC..Hα-helixtrans-73.9-24171.963.30000112.2A356 D357 V358A356-S360 WeakPolarHBondContact O-CB 3.39Å; A356-S360 PolarHBondContact O-N 3.48Å; A356-S360 PolarHBondContact O-OG 3.46Å; D357-S360 WeakPolarHBondContact CA-OG 3.31Å; D357-S360 PolarHBondContact O-OG 2.81Å; D357-S360 VanDerWaalsContact O-OG 3.1Å; V358-S360 VanDerWaalsContact C-N 3.33Å; V358-S360 PolarHBondContact O-N 3.29Å
361G89.9Confident94.4Very high2 Ų219.8 Ų19.82%0.02112%0.122CC..THydrogen-bonded Turntrans76.139-176.900000112.4S293 D357 V358 V359 P363S293-G361 WeakPolarHBondContact CA-O 3.32Å; S293-G361 VanDerWaalsContact CB-O 3.22Å; S293-G361 WeakPolarHBondContact CB-O 3.34Å; S293-G361 WeakPolarHBondContact O-CA 3.15Å; D357-G361 PolarHBondContact O-N 3.25Å; D357-G361 VanDerWaalsContact O-N 3.12Å; V358-G361 PolarHBondContact O-N 3.02Å; V359-G361 VanDerWaalsContact C-N 3.29Å; G361-P363 VanDerWaalsContact O-CD 3.22Å; G361-P363 WeakPolarHBondContact O-CD 3.25Å; G361-P363 VanDerWaalsContact O-N 3.1Å
362N88Confident94.6Very high25 Ų2518.5 Ų18.513%0.13412%0.117CC..  trans-60.9108.6178.3-177.4-43.6000109.9D357 K364 L365 N366D357-N362 HydrophobicContact CB-CB 4.43Å; D357-N362 PolarHBondContact O-N 2.64Å; N362-K364 VanDerWaalsContact C-N 3.33Å; N362-K364 PolarHBondContact O-N 3.23Å; N362-K364 PolarHBondContact OD1-N 3.3Å; N362-K364 VanDerWaalsContact OD1-N 3.17Å; N362-L365 HydrophobicContact CB-CB 4.34Å; N362-L365 PolarHBondContact OD1-N 3.45Å; N362-L365 VanDerWaalsContact OD1-N 3.12Å; N362-N366 PolarHBondContact N-ND2 2.82Å; N362-N366 VanDerWaalsContact O-CB 3.29Å; N362-N366 WeakPolarHBondContact O-CB 3.47Å; N362-N366 PolarHBondContact O-N 2.92Å; N362-N366 PolarHBondContact O-ND2 2.9Å
363P87Confident94.7Very high50 Ų5018.2 Ų18.233%0.32512%0.115SC..Hα-helixtrans-63.3-39.6-170.223.3-32.4000112.4G361 L367G361-P363 VanDerWaalsContact O-CD 3.22Å; G361-P363 WeakPolarHBondContact O-CD 3.25Å; G361-P363 VanDerWaalsContact O-N 3.1Å; P363-L367 WeakPolarHBondContact O-CB 3.48Å; P363-L367 PolarHBondContact O-N 3.37Å
364K87.9Confident94.8Very high39 Ų3917.9 Ų17.917%0.1711%0.113CC..Hα-helixtrans-68.1-50.4-175.5-173-173.7-75.4166.60111.5E125 F129 W232 N362 L367 A368E125-K364 HydrophobicContact CG-CD 4.24Å; E125-K364 WeakPolarHBondContact OE1-CD 3.08Å; E125-K364 WeakPolarHBondContact OE1-CE 3.42Å; E125-K364 IonicContact OE1-NZ 2.69Å; E125-K364 PolarHBondContact OE1-NZ 2.9Å; E125-K364 IonicContact OE2-NZ 3.39Å; E125-K364 PolarHBondContact OE2-NZ 2.84Å; F129-K364 HydrophobicContact CZ-CD 4.37Å; W232-K364 HydrophobicContact CB-CD 4.46Å; W232-K364 HydrophobicContact CD2-CD 3.41Å; W232-K364 VanDerWaalsContact CD2-CD 3.41Å; W232-K364 HydrophobicContact CD2-CG 3.58Å; W232-K364 HydrophobicContact CE3-CD 3.78Å; W232-K364 HydrophobicContact CE3-CG 3.71Å; W232-K364 HydrophobicContact CG-CD 3.69Å; W232-K364 HydrophobicContact CG-CG 4.35Å; W232-K364 HydrophobicContact CH2-CD 4.45Å; W232-K364 HydrophobicContact CH2-CG 3.52Å; W232-K364 HydrophobicContact CZ2-CD 4.15Å; W232-K364 HydrophobicContact CZ2-CG 3.38Å; W232-K364 HydrophobicContact CZ3-CD 4.28Å; W232-K364 HydrophobicContact CZ3-CG 3.69Å; N362-K364 VanDerWaalsContact C-N 3.33Å; N362-K364 PolarHBondContact O-N 3.23Å; N362-K364 PolarHBondContact OD1-N 3.3Å; N362-K364 VanDerWaalsContact OD1-N 3.17Å; K364-L367 PolarHBondContact O-N 3.25Å; K364-A368 WeakPolarHBondContact O-CB 3.39Å; K364-A368 PolarHBondContact O-N 2.91Å
365L94.6Very high94.8Very high0 Ų018.8 Ų18.80%012%0.117CC..Hα-helixtrans-70.1-39.9-177.9-62.7-175.9000112E124 E125 A128 F129 V353 D357 N362 A368 F369E124-L365 HydrophobicContact CB-CD1 3.82Å; E125-L365 HydrophobicContact CG-CD2 4.32Å; A128-L365 HydrophobicContact CB-CD1 4.18Å; A128-L365 HydrophobicContact CB-CD2 3.52Å; A128-L365 HydrophobicContact CB-CG 4.48Å; F129-L365 HydrophobicContact CE1-CD2 4.34Å; V353-L365 HydrophobicContact CG1-CB 3.8Å; V353-L365 WeakPolarHBondContact CG1-O 3.22Å; D357-L365 HydrophobicContact CB-CD1 4.18Å; N362-L365 HydrophobicContact CB-CB 4.34Å; N362-L365 PolarHBondContact OD1-N 3.45Å; N362-L365 VanDerWaalsContact OD1-N 3.12Å; L365-A368 PolarHBondContact O-N 2.85Å; L365-F369 WeakPolarHBondContact O-CB 3.31Å; L365-F369 PolarHBondContact O-N 3.12Å
366N96.6Very high94.7Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-65.8-39.4175.1-78.5-72.3000111.6F292 I296 Y302 D357 N362 F369 V370F292-N366 HydrophobicContact CB-CB 4.19Å; F292-N366 WeakPolarHBondContact O-CB 3.27Å; I296-N366 HydrophobicContact CD1-CB 4.37Å; I296-N366 WeakPolarHBondContact CD1-OD1 3.12Å; I296-N366 HydrophobicContact CG1-CB 4.47Å; Y302-N366 WeakPolarHBondContact CE2-OD1 3.39Å; Y302-N366 WeakPolarHBondContact OH-CB 3.22Å; Y302-N366 PolarHBondContact OH-OD1 3.39Å; D357-N366 PolarHBondContact O-ND2 3.28Å; D357-N366 VanDerWaalsContact O-ND2 3.11Å; N362-N366 PolarHBondContact N-ND2 2.82Å; N362-N366 VanDerWaalsContact O-CB 3.29Å; N362-N366 WeakPolarHBondContact O-CB 3.47Å; N362-N366 PolarHBondContact O-N 2.92Å; N362-N366 PolarHBondContact O-ND2 2.9Å; N366-F369 PolarHBondContact O-N 3.45Å; N366-V370 WeakPolarHBondContact O-CG2 3.35Å; N366-V370 PolarHBondContact O-N 3.24Å
367L95.9Very high94.7Very high21 Ų2121.5 Ų21.511%0.1112%0.116CC..Hα-helixtrans-60.3-45.2172.5-179.967.3000111.6F240 E270 L273 F292 P363 K364 V370 A371F240-L367 HydrophobicContact CE1-CG 4.41Å; F240-L367 HydrophobicContact CZ-CD1 4.06Å; F240-L367 HydrophobicContact CZ-CD2 3.85Å; F240-L367 HydrophobicContact CZ-CG 3.87Å; E270-L367 HydrophobicContact CG-CD1 4.15Å; E270-L367 HydrophobicContact CG-CD2 3.85Å; L273-L367 HydrophobicContact CD2-CD1 3.81Å; F292-L367 HydrophobicContact CD2-CD1 3.73Å; F292-L367 HydrophobicContact CE2-CD1 3.97Å; P363-L367 WeakPolarHBondContact O-CB 3.48Å; P363-L367 PolarHBondContact O-N 3.37Å; K364-L367 PolarHBondContact O-N 3.25Å; L367-V370 PolarHBondContact O-N 2.93Å; L367-A371 WeakPolarHBondContact O-CB 3.36Å; L367-A371 PolarHBondContact O-N 3.12Å
368A96.8Very high94.8Very high0 Ų022.9 Ų22.90%013%0.125CC..Hα-helixtrans-63.3-41.617700000112.7W232 L239 F352 K364 L365 A371 N372W232-A368 HydrophobicContact CH2-CB 4.23Å; W232-A368 HydrophobicContact CZ3-CB 3.94Å; L239-A368 HydrophobicContact CD1-CB 3.78Å; F352-A368 HydrophobicContact CB-CB 3.95Å; F352-A368 HydrophobicContact CD1-CB 3.71Å; F352-A368 HydrophobicContact CD2-CB 3.93Å; F352-A368 HydrophobicContact CE1-CB 4.17Å; F352-A368 HydrophobicContact CE2-CB 4.36Å; F352-A368 HydrophobicContact CG-CB 3.57Å; F352-A368 HydrophobicContact CZ-CB 4.46Å; K364-A368 WeakPolarHBondContact O-CB 3.39Å; K364-A368 PolarHBondContact O-N 2.91Å; L365-A368 PolarHBondContact O-N 2.85Å; A368-A371 PolarHBondContact O-N 3.04Å; A368-N372 WeakPolarHBondContact O-CB 3.39Å; A368-N372 PolarHBondContact O-N 3.08Å
369F98.2Very high94.7Very high0 Ų025.3 Ų25.30%015%0.145CC..Hα-helixtrans-59.1-47.4173.8172.3-114000111.6Y302 M340 L341 A344 C349 Q351 F352 V353 L365 N366 A371 N372 L373Y302-F369 HydrophobicContact CD1-CE1 4.22Å; Y302-F369 HydrophobicContact CD2-CE1 4.19Å; Y302-F369 HydrophobicContact CE1-CD1 4.28Å; Y302-F369 HydrophobicContact CE1-CE1 4.26Å; Y302-F369 HydrophobicContact CE2-CD1 4.21Å; Y302-F369 HydrophobicContact CE2-CE1 4.2Å; Y302-F369 HydrophobicContact CG-CE1 4.19Å; M340-F369 HydrophobicContact CE-CE1 4.47Å; M340-F369 HydrophobicContact SD-CE1 4.29Å; M340-F369 HydrophobicContact SD-CZ 4.06Å; L341-F369 HydrophobicContact CD2-CE2 4.09Å; L341-F369 HydrophobicContact CD2-CZ 4.09Å; A344-F369 HydrophobicContact CB-CE2 3.9Å; A344-F369 HydrophobicContact CB-CZ 3.89Å; C349-F369 WeakPolarHBondContact O-CD2 3.44Å; C349-F369 VanDerWaalsContact O-CE2 3.29Å; C349-F369 WeakPolarHBondContact O-CE2 3.33Å; Q351-F369 WeakPolarHBondContact O-CD2 3.46Å; F352-F369 HydrophobicContact CB-CB 4.39Å; V353-F369 HydrophobicContact CG1-CB 3.91Å; V353-F369 HydrophobicContact CG1-CG 4.49Å; V353-F369 HydrophobicContact CG2-CB 3.83Å; V353-F369 HydrophobicContact CG2-CD1 4.09Å; V353-F369 HydrophobicContact CG2-CD2 3.61Å; V353-F369 HydrophobicContact CG2-CE2 4.13Å; V353-F369 HydrophobicContact CG2-CG 3.57Å; L365-F369 WeakPolarHBondContact O-CB 3.31Å; L365-F369 PolarHBondContact O-N 3.12Å; N366-F369 PolarHBondContact O-N 3.45Å; F369-A371 PolarHBondContact O-N 3.48Å; F369-N372 WeakPolarHBondContact O-CB 3.38Å; F369-N372 PolarHBondContact O-N 3.17Å; F369-L373 HydrophobicContact CD1-CD1 4.15Å; F369-L373 HydrophobicContact CE1-CD1 3.66Å; F369-L373 HydrophobicContact CE1-CG 4.43Å; F369-L373 HydrophobicContact CE2-CD1 4.37Å; F369-L373 HydrophobicContact CE2-CD2 4.34Å; F369-L373 HydrophobicContact CE2-CG 4.33Å; F369-L373 HydrophobicContact CZ-CD1 3.79Å; F369-L373 HydrophobicContact CZ-CD2 4.29Å; F369-L373 HydrophobicContact CZ-CG 4.22Å; F369-L373 WeakPolarHBondContact O-CG 3.4Å; F369-L373 PolarHBondContact O-N 3.5Å
370V98.4Very high94.6Very high0 Ų024.7 Ų24.70%014%0.14CC..Hα-helixtrans-66.5-38.5179.3178.80000111.4L273 W276 F292 Y302 N366 L367 N372 L373 F374L273-V370 HydrophobicContact CD1-CG1 3.91Å; L273-V370 HydrophobicContact CD2-CB 4.03Å; L273-V370 HydrophobicContact CD2-CG1 3.74Å; L273-V370 HydrophobicContact CG-CB 4.48Å; L273-V370 HydrophobicContact CG-CG1 3.65Å; W276-V370 HydrophobicContact CE3-CG1 4.12Å; W276-V370 HydrophobicContact CZ3-CG1 3.65Å; F292-V370 HydrophobicContact CD1-CG1 4.46Å; F292-V370 HydrophobicContact CD1-CG2 3.83Å; F292-V370 HydrophobicContact CE1-CB 4.26Å; F292-V370 HydrophobicContact CE1-CG1 3.74Å; F292-V370 HydrophobicContact CE1-CG2 3.87Å; F292-V370 HydrophobicContact CE2-CG1 4.37Å; F292-V370 HydrophobicContact CG-CG2 4.39Å; F292-V370 HydrophobicContact CZ-CB 4.38Å; F292-V370 HydrophobicContact CZ-CG1 3.68Å; F292-V370 HydrophobicContact CZ-CG2 4.47Å; Y302-V370 HydrophobicContact CE1-CG2 3.47Å; Y302-V370 VanDerWaalsContact CE1-CG2 3.47Å; Y302-V370 WeakPolarHBondContact OH-CG2 3.37Å; N366-V370 WeakPolarHBondContact O-CG2 3.35Å; N366-V370 PolarHBondContact O-N 3.24Å; L367-V370 PolarHBondContact O-N 2.93Å; V370-N372 VanDerWaalsContact C-N 3.33Å; V370-N372 PolarHBondContact O-N 3.27Å; V370-L373 WeakPolarHBondContact O-CB 3.32Å; V370-L373 PolarHBondContact O-N 3.14Å; V370-F374 PolarHBondContact O-N 3.4Å
371A98.1Very high94.6Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-64.1-40.217500000111.6L239 F240 I243 L273 L367 A368 F369 L373 F374 N375L239-A371 HydrophobicContact CB-CB 4.14Å; F240-A371 HydrophobicContact CD1-CB 4.11Å; F240-A371 HydrophobicContact CE1-CB 3.75Å; I243-A371 HydrophobicContact CD1-CB 4.04Å; L273-A371 HydrophobicContact CD2-CB 3.91Å; L367-A371 WeakPolarHBondContact O-CB 3.36Å; L367-A371 PolarHBondContact O-N 3.12Å; A368-A371 PolarHBondContact O-N 3.04Å; F369-A371 PolarHBondContact O-N 3.48Å; A371-L373 VanDerWaalsContact C-N 3.34Å; A371-L373 PolarHBondContact O-N 3.34Å; A371-F374 PolarHBondContact O-N 2.88Å; A371-N375 WeakPolarHBondContact O-CB 3.4Å; A371-N375 VanDerWaalsContact O-CG 3.27Å; A371-N375 PolarHBondContact O-N 2.93Å; A371-N375 PolarHBondContact O-ND2 2.91Å
372N97.5Very high94.6Very high19 Ų1930.5 Ų30.510%0.10217%0.166CC..Hα-helixtrans-62.6-39.1173.1-174.551000112.4C349 F352 A368 F369 V370 K376C349-N372 WeakPolarHBondContact CA-ND2 3.46Å; C349-N372 PolarHBondContact O-ND2 3.33Å; F352-N372 HydrophobicContact CD2-CB 4.09Å; F352-N372 HydrophobicContact CE2-CB 3.92Å; A368-N372 WeakPolarHBondContact O-CB 3.39Å; A368-N372 PolarHBondContact O-N 3.08Å; F369-N372 WeakPolarHBondContact O-CB 3.38Å; F369-N372 PolarHBondContact O-N 3.17Å; V370-N372 VanDerWaalsContact C-N 3.33Å; V370-N372 PolarHBondContact O-N 3.27Å; N372-K376 PolarHBondContact O-N 3.1Å
373L98.2Very high94.6Very high0 Ų030.9 Ų30.90%017%0.17CC..Hα-helixtrans-61.8-47.3172.2-67.5174.9000111.3W276 L305 L306 I309 C349 F369 V370 A371 K376 Y377W276-L373 HydrophobicContact CH2-CB 4.05Å; L305-L373 HydrophobicContact CD2-CD1 4.24Å; L306-L373 HydrophobicContact CD2-CD1 4.16Å; L306-L373 HydrophobicContact CD2-CD2 3.64Å; I309-L373 HydrophobicContact CD1-CB 3.9Å; I309-L373 HydrophobicContact CD1-CD1 4.4Å; I309-L373 HydrophobicContact CD1-CD2 4.07Å; I309-L373 HydrophobicContact CD1-CG 4.36Å; C349-L373 HydrophobicContact CB-CD2 3.38Å; C349-L373 HydrophobicContact CB-CG 4.42Å; F369-L373 HydrophobicContact CD1-CD1 4.15Å; F369-L373 HydrophobicContact CE1-CD1 3.66Å; F369-L373 HydrophobicContact CE1-CG 4.43Å; F369-L373 HydrophobicContact CE2-CD1 4.37Å; F369-L373 HydrophobicContact CE2-CD2 4.34Å; F369-L373 HydrophobicContact CE2-CG 4.33Å; F369-L373 HydrophobicContact CZ-CD1 3.79Å; F369-L373 HydrophobicContact CZ-CD2 4.29Å; F369-L373 HydrophobicContact CZ-CG 4.22Å; F369-L373 WeakPolarHBondContact O-CG 3.4Å; F369-L373 PolarHBondContact O-N 3.5Å; V370-L373 WeakPolarHBondContact O-CB 3.32Å; V370-L373 PolarHBondContact O-N 3.14Å; A371-L373 VanDerWaalsContact C-N 3.34Å; A371-L373 PolarHBondContact O-N 3.34Å; L373-K376 PolarHBondContact O-N 3.14Å; L373-Y377 CarbonylContact O-C 3.39Å; L373-Y377 PolarHBondContact O-N 2.89Å
374F98Very high94.3Very high1 Ų137.7 Ų37.70%0.00420%0.197CC..Hα-helixtrans-59.9-50.9177.9173.6-89.2000111.6I243 N248 L251 L273 W276 V370 A371 K376 Y377 P378I243-F374 HydrophobicContact CB-CE1 4.32Å; I243-F374 HydrophobicContact CD1-CD1 4.22Å; I243-F374 HydrophobicContact CG1-CD1 3.67Å; I243-F374 HydrophobicContact CG1-CE1 3.75Å; N248-F374 WeakPolarHBondContact ND2-CZ 3.26Å; L251-F374 HydrophobicContact CD1-CZ 4.26Å; L251-F374 HydrophobicContact CD2-CE2 3.6Å; L251-F374 HydrophobicContact CD2-CZ 3.6Å; L251-F374 HydrophobicContact CG-CE2 4.46Å; L251-F374 HydrophobicContact CG-CZ 4.04Å; L273-F374 HydrophobicContact CD1-CB 3.52Å; L273-F374 HydrophobicContact CD1-CD2 4.26Å; L273-F374 HydrophobicContact CD1-CG 3.94Å; W276-F374 HydrophobicContact CB-CD2 4.44Å; W276-F374 AromaticContact CD1-CD2 3.65Å; W276-F374 AromaticContact CD1-CE2 3.85Å; W276-F374 HydrophobicContact CD2-CB 4.37Å; W276-F374 AromaticContact CD2-CD2 3.69Å; W276-F374 HydrophobicContact CD2-CD2 3.69Å; W276-F374 AromaticContact CE2-CD2 3.64Å; W276-F374 HydrophobicContact CE3-CB 4.3Å; W276-F374 HydrophobicContact CE3-CD2 4.37Å; W276-F374 AromaticContact CG-CD2 3.69Å; W276-F374 HydrophobicContact CG-CD2 3.69Å; W276-F374 HydrophobicContact CG-CE2 4.13Å; W276-F374 HydrophobicContact CH2-CB 4.11Å; W276-F374 HydrophobicContact CZ2-CB 4.16Å; W276-F374 HydrophobicContact CZ2-CD2 4.27Å; W276-F374 HydrophobicContact CZ3-CB 4.17Å; W276-F374 AromaticContact NE1-CD2 3.58Å; V370-F374 PolarHBondContact O-N 3.4Å; A371-F374 PolarHBondContact O-N 2.88Å; F374-K376 PolarHBondContact O-N 2.72Å; F374-K376 VanDerWaalsContact O-N 3.17Å; F374-Y377 CarbonylContact O-C 3.06Å; F374-Y377 PolarHBondContact O-N 3.32Å; F374-P378 HydrophobicContact CD2-CB 4.34Å; F374-P378 HydrophobicContact CE2-CB 4.06Å; F374-P378 HydrophobicContact CZ-CB 4.36Å; F374-P378 WeakPolarHBondContact O-CA 3.44Å; F374-P378 WeakPolarHBondContact O-CD 3.08Å; F374-P378 WeakPolarHBondContact O-CG 3.4Å
375N95.7Very high93.8Very high56 Ų5639.6 Ų39.630%0.29921%0.209SC..Hα-helixtrans-60.7-31-176.5-70.5-16.6000112.6L239 A371L239-N375 PolarHBondContact O-ND2 3.36Å; L239-N375 PolarHBondContact O-OD1 3.06Å; A371-N375 WeakPolarHBondContact O-CB 3.4Å; A371-N375 VanDerWaalsContact O-CG 3.27Å; A371-N375 PolarHBondContact O-N 2.93Å; A371-N375 PolarHBondContact O-ND2 2.91Å
376K94.7Very high92.5Very high93 Ų9348.5 Ų48.540%0.40425%0.251SS..Hα-helixtrans-88.5-38.5178.7-158.5172.9-171.9178.60113.4L347 G348 C349 N372 L373 F374L347-K376 WeakPolarHBondContact O-CD 3.27Å; L347-K376 VanDerWaalsContact O-CE 3.23Å; L347-K376 WeakPolarHBondContact O-CE 3.43Å; L347-K376 PolarHBondContact O-NZ 2.8Å; G348-K376 PolarHBondContact O-NZ 3.26Å; C349-K376 WeakPolarHBondContact SG-CD 3.32Å; N372-K376 PolarHBondContact O-N 3.1Å; L373-K376 PolarHBondContact O-N 3.14Å; F374-K376 PolarHBondContact O-N 2.72Å; F374-K376 VanDerWaalsContact O-N 3.17Å
377Y95.7Very high91.7Very high39 Ų3955.5 Ų55.515%0.15329%0.288CS..  trans-138.674.8-177.1-59.8-73.8000110.9P311 L347 L373 F374 A379P311-Y377 HydrophobicContact CG-CD1 3.85Å; P311-Y377 HydrophobicContact CG-CE1 3.4Å; L347-Y377 HydrophobicContact CB-CD2 4.3Å; L347-Y377 HydrophobicContact CB-CE2 3.73Å; L347-Y377 HydrophobicContact CD1-CD2 4.48Å; L347-Y377 HydrophobicContact CD2-CE2 4.06Å; L347-Y377 HydrophobicContact CG-CE2 4.34Å; L347-Y377 WeakPolarHBondContact O-CE2 3.4Å; L373-Y377 CarbonylContact O-C 3.39Å; L373-Y377 PolarHBondContact O-N 2.89Å; F374-Y377 CarbonylContact O-C 3.06Å; F374-Y377 PolarHBondContact O-N 3.32Å; Y377-A379 PolarHBondContact O-N 2.88Å
378P95.6Very high91.1Very high34 Ų3455.4 Ų55.422%0.22129%0.288CS..  trans-59.7-34.6175.3-19.428.4000111.1W276 H280 F374 L380W276-P378 PolarHBondContact NE1-O 3.44Å; H280-P378 PolarHBondContact NE2-O 3.33Å; H280-P378 VanDerWaalsContact NE2-O 3.12Å; F374-P378 HydrophobicContact CD2-CB 4.34Å; F374-P378 HydrophobicContact CE2-CB 4.06Å; F374-P378 HydrophobicContact CZ-CB 4.36Å; F374-P378 WeakPolarHBondContact O-CA 3.44Å; F374-P378 WeakPolarHBondContact O-CD 3.08Å; F374-P378 WeakPolarHBondContact O-CG 3.4Å; P378-L380 PolarHBondContact O-N 3.22Å; P378-L380 VanDerWaalsContact O-N 3.09Å
379A95Very high90.4Very high50 Ų5059.1 Ų59.141%0.41331%0.307SS..  trans51.433.3179.800000113.4H280 I309 Y377H280-A379 PolarHBondContact CE1-O 3.09Å; H280-A379 VanDerWaalsContact CE1-O 3.3Å; I309-A379 HydrophobicContact CB-CB 4.07Å; I309-A379 HydrophobicContact CG2-CB 4.17Å; Y377-A379 PolarHBondContact O-N 2.88Å
380L94.4Very high89.8Confident18 Ų1862.2 Ų62.29%0.09432%0.319CS..  trans-105.9149.1174.1-62.2-179.4000110.1A250 L251 A253 L254 F279 P378A250-L380 HydrophobicContact CB-CB 3.79Å; A250-L380 WeakPolarHBondContact O-CD1 3.36Å; L251-L380 HydrophobicContact CD2-CD1 4.07Å; A253-L380 HydrophobicContact CB-CB 4.48Å; A253-L380 HydrophobicContact CB-CD2 4.35Å; L254-L380 HydrophobicContact CD1-CD1 4.41Å; L254-L380 HydrophobicContact CD2-CD1 4.16Å; L254-L380 HydrophobicContact CD2-CD2 4.02Å; L254-L380 HydrophobicContact CG-CD1 4.12Å; F279-L380 HydrophobicContact CD1-CD2 3.7Å; F279-L380 HydrophobicContact CE1-CD2 3.56Å; F279-L380 HydrophobicContact CZ-CD2 4.28Å; P378-L380 PolarHBondContact O-N 3.22Å; P378-L380 VanDerWaalsContact O-N 3.09Å
381T90.5Very high89Confident115 Ų11566.9 Ų66.971%0.70635%0.348SS*.  trans-111128.3170.4-59.20000107.8A253 P383A253-T381 WeakPolarHBondContact CB-O 3.26Å; T381-P383 WeakPolarHBondContact O-CD 3.43Å
382K89.2Confident88.2Confident81 Ų8169.8 Ų69.835%0.35236%0.363SS..  trans-55.1124.5173.6-177.8179.3177.8174.10109.2E249 W390E249-K382 HydrophobicContact CB-CD 4.18Å; E249-K382 IonicContact OE1-NZ 3.7Å; E249-K382 WeakPolarHBondContact OE2-CD 3.32Å; E249-K382 WeakPolarHBondContact OE2-CE 3.45Å; E249-K382 IonicContact OE2-NZ 3.68Å; E249-K382 PolarHBondContact OE2-NZ 3.15Å; K382-W390 HydrophobicContact CD-CH2 4.36Å; K382-W390 HydrophobicContact CG-CH2 3.89Å; K382-W390 HydrophobicContact CG-CZ2 4.27Å
383P87.8Confident87.4Confident33 Ų3369.6 Ų69.621%0.21436%0.362CS..  trans-60.3138.8174.9-23.433.6000111.4A252 A253 T381 N385 I388 W390A252-P383 HydrophobicContact CB-CG 4.33Å; A253-P383 HydrophobicContact CB-CG 4.08Å; T381-P383 WeakPolarHBondContact O-CD 3.43Å; P383-N385 PolarHBondContact O-N 3.39Å; P383-I388 HydrophobicContact CB-CD1 3.97Å; P383-I388 HydrophobicContact CG-CD1 4.31Å; P383-W390 WeakPolarHBondContact O-CZ2 3.47Å
384E82.4Confident86.6Confident193 Ų19377.7 Ų77.790%0.90240%0.4SS*.  trans-86.811.7172.9-63.3-175.7170.300112.5Q386E384-Q386 PolarHBondContact O-N 3Å
385N76Confident85.9Confident79 Ų7979.6 Ų79.642%0.42242%0.42SS..  trans-65.6122.3-175.3-170-2.6000111.2P383 D387 I388P383-N385 PolarHBondContact O-N 3.39Å; N385-D387 PolarHBondContact O-N 3.45Å; N385-D387 PolarHBondContact OD1-N 2.93Å; N385-I388 HydrophobicContact CB-CD1 4.08Å; N385-I388 HydrophobicContact CB-CG1 4.15Å; N385-I388 PolarHBondContact O-N 3.21Å
386Q68.3Low85.6Confident187 Ų18779.1 Ų79.187%0.87442%0.416SS*.THydrogen-bonded Turntrans-71.5-16.6179.3-65.9-178.88.300113E384 I388E384-Q386 PolarHBondContact O-N 3Å; Q386-I388 VanDerWaalsContact C-N 3.26Å; Q386-I388 PolarHBondContact O-N 2.92Å
387D80.5Confident85.4Confident147 Ų14778 Ų7879%0.78642%0.417SS*.THydrogen-bonded Turntrans-78.5-9.4178.2-61.3-32.3000113N385 D389N385-D387 PolarHBondContact O-N 3.45Å; N385-D387 PolarHBondContact OD1-N 2.93Å; D387-D389 PolarHBondContact O-N 3.2Å
388I81.9Confident85.2Confident18 Ų1879.3 Ų79.39%0.09242%0.422CS..SBendtrans-82.9114.6176-59.6176.1000108.6L255 L261 P383 N385 Q386 W390L255-I388 HydrophobicContact CD1-CD1 3.98Å; L255-I388 HydrophobicContact CD1-CG1 4.31Å; L261-I388 HydrophobicContact CD1-CG2 4.24Å; L261-I388 HydrophobicContact CD2-CG2 3.84Å; L261-I388 HydrophobicContact CG-CG2 4.48Å; P383-I388 HydrophobicContact CB-CD1 3.97Å; P383-I388 HydrophobicContact CG-CD1 4.31Å; N385-I388 HydrophobicContact CB-CD1 4.08Å; N385-I388 HydrophobicContact CB-CG1 4.15Å; N385-I388 PolarHBondContact O-N 3.21Å; Q386-I388 VanDerWaalsContact C-N 3.26Å; Q386-I388 PolarHBondContact O-N 2.92Å; I388-W390 HydrophobicContact CB-CD2 4.43Å; I388-W390 HydrophobicContact CB-CH2 4.46Å; I388-W390 HydrophobicContact CB-CZ2 3.87Å; I388-W390 HydrophobicContact CD1-CH2 4.01Å; I388-W390 HydrophobicContact CD1-CZ2 3.83Å; I388-W390 HydrophobicContact CG1-CZ2 4.44Å; I388-W390 HydrophobicContact CG2-CD2 3.79Å; I388-W390 HydrophobicContact CG2-CE3 3.94Å; I388-W390 HydrophobicContact CG2-CG 4.44Å; I388-W390 HydrophobicContact CG2-CH2 3.9Å; I388-W390 HydrophobicContact CG2-CZ2 3.73Å; I388-W390 HydrophobicContact CG2-CZ3 4Å; I388-W390 PolarHBondContact O-N 3.41Å; I388-W390 PolarHBondContact O-NE1 3.25Å
389D83.4Confident85Confident78 Ų7880.6 Ų80.642%0.41743%0.425SS..  trans-75.991.8171.3-172.6-0.2000110.6L261 D387 T391 L392L261-D389 WeakPolarHBondContact CD2-O 3.31Å; D387-D389 PolarHBondContact O-N 3.2Å; D389-T391 VanDerWaalsContact CG-OG1 3.25Å; D389-T391 PolarHBondContact O-N 2.72Å; D389-T391 VanDerWaalsContact OD1-CB 3.31Å; D389-T391 WeakPolarHBondContact OD1-CB 3.5Å; D389-T391 WeakPolarHBondContact OD1-CG2 3.2Å; D389-T391 PolarHBondContact OD1-N 3.02Å; D389-T391 PolarHBondContact OD1-OG1 2.94Å; D389-T391 PolarHBondContact OD2-OG1 3.46Å; D389-L392 HydrophobicContact CB-CD1 4.01Å; D389-L392 HydrophobicContact CB-CG 4.17Å; D389-L392 WeakPolarHBondContact O-CB 3.49Å; D389-L392 PolarHBondContact O-N 2.73Å
390W84.6Confident85Confident65 Ų6579.1 Ų79.125%0.24641%0.41CS..G310 helixtrans-65.2-16.6177.7-58.1103.5000113.6E249 A252 K382 P383 I388 L392 L393E249-W390 HydrophobicContact CB-CZ3 4.27Å; A252-W390 HydrophobicContact CB-CH2 3.63Å; A252-W390 HydrophobicContact CB-CZ3 3.73Å; K382-W390 HydrophobicContact CD-CH2 4.36Å; K382-W390 HydrophobicContact CG-CH2 3.89Å; K382-W390 HydrophobicContact CG-CZ2 4.27Å; P383-W390 WeakPolarHBondContact O-CZ2 3.47Å; I388-W390 HydrophobicContact CB-CD2 4.43Å; I388-W390 HydrophobicContact CB-CH2 4.46Å; I388-W390 HydrophobicContact CB-CZ2 3.87Å; I388-W390 HydrophobicContact CD1-CH2 4.01Å; I388-W390 HydrophobicContact CD1-CZ2 3.83Å; I388-W390 HydrophobicContact CG1-CZ2 4.44Å; I388-W390 HydrophobicContact CG2-CD2 3.79Å; I388-W390 HydrophobicContact CG2-CE3 3.94Å; I388-W390 HydrophobicContact CG2-CG 4.44Å; I388-W390 HydrophobicContact CG2-CH2 3.9Å; I388-W390 HydrophobicContact CG2-CZ2 3.73Å; I388-W390 HydrophobicContact CG2-CZ3 4Å; I388-W390 PolarHBondContact O-N 3.41Å; I388-W390 PolarHBondContact O-NE1 3.25Å; W390-L392 PolarHBondContact O-N 3.22Å; W390-L393 HydrophobicContact CE3-CD1 3.6Å; W390-L393 HydrophobicContact CE3-CG 4.48Å; W390-L393 HydrophobicContact CZ3-CD1 3.94Å; W390-L393 PolarHBondContact O-N 2.83Å; W390-L393 VanDerWaalsContact O-N 3.13Å
391T82.4Confident85Confident98 Ų9881.3 Ų81.360%0.60142%0.417SS*.G310 helixtrans-67.6-18177.771.30000112.3D389 L393D389-T391 VanDerWaalsContact CG-OG1 3.25Å; D389-T391 PolarHBondContact O-N 2.72Å; D389-T391 VanDerWaalsContact OD1-CB 3.31Å; D389-T391 WeakPolarHBondContact OD1-CB 3.5Å; D389-T391 WeakPolarHBondContact OD1-CG2 3.2Å; D389-T391 PolarHBondContact OD1-N 3.02Å; D389-T391 PolarHBondContact OD1-OG1 2.94Å; D389-T391 PolarHBondContact OD2-OG1 3.46Å; T391-L393 PolarHBondContact O-N 2.88Å
392L80.8Confident85.2Confident61 Ų6176 Ų7632%0.31938%0.384SS..G310 helixtrans-71.5-15.7174.1-61.7173.2000113.5L261 E262 M265 D389 W390 E394L261-L392 HydrophobicContact CD2-CB 4.24Å; L261-L392 HydrophobicContact CD2-CD1 4.49Å; E262-L392 HydrophobicContact CG-CD1 3.98Å; M265-L392 VanDerWaalsContact CE-O 3.22Å; M265-L392 WeakPolarHBondContact CE-O 3.36Å; M265-L392 HydrophobicContact SD-CB 4.4Å; D389-L392 HydrophobicContact CB-CD1 4.01Å; D389-L392 HydrophobicContact CB-CG 4.17Å; D389-L392 WeakPolarHBondContact O-CB 3.49Å; D389-L392 PolarHBondContact O-N 2.73Å; W390-L392 PolarHBondContact O-N 3.22Å; L392-E394 PolarHBondContact O-N 3.09Å; L392-E394 VanDerWaalsContact O-N 3.15Å
393L81.2Confident85.6Confident15 Ų1572.2 Ų72.28%0.07937%0.367CS..G310 helixtrans-81.120.1-178.7-63.1-171.8000114.1L245 E249 L261 M265 W390 T391 G395L245-L393 HydrophobicContact CB-CD2 3.7Å; L245-L393 HydrophobicContact CD2-CD2 4.18Å; E249-L393 HydrophobicContact CB-CD1 4.34Å; E249-L393 HydrophobicContact CG-CD1 3.95Å; L261-L393 HydrophobicContact CD1-CD2 4.44Å; L261-L393 HydrophobicContact CD2-CD2 3.89Å; L261-L393 HydrophobicContact CD2-CG 4.11Å; L261-L393 HydrophobicContact CG-CD2 4.31Å; M265-L393 HydrophobicContact CE-CD2 4.36Å; M265-L393 HydrophobicContact CG-CD2 4.31Å; M265-L393 HydrophobicContact SD-CD2 3.94Å; W390-L393 HydrophobicContact CE3-CD1 3.6Å; W390-L393 HydrophobicContact CE3-CG 4.48Å; W390-L393 HydrophobicContact CZ3-CD1 3.94Å; W390-L393 PolarHBondContact O-N 2.83Å; W390-L393 VanDerWaalsContact O-N 3.13Å; T391-L393 PolarHBondContact O-N 2.88Å; L393-G395 PolarHBondContact O-N 2.97Å
394E81.3Confident86.1Confident170 Ų17072.9 Ų72.979%0.79437%0.366SS*.  trans-56.7115.6169.4-73-175.7176.400109.6L392L392-E394 PolarHBondContact O-N 3.09Å; L392-E394 VanDerWaalsContact O-N 3.15Å
395G82.6Confident86.7Confident42 Ų4264.3 Ų64.343%0.43333%0.326SS..PPolyproline II helixtrans-69.1165178.500000112.4L393 T397L393-G395 PolarHBondContact O-N 2.97Å; G395-T397 PolarHBondContact O-N 3.34Å
396E88.8Confident87.7Confident46 Ų4660.6 Ų60.622%0.21531%0.306CS..PPolyproline II helixtrans-56.2131.8179.862.6174.6-170.400112.5E400 R401 R404E396-E400 WeakPolarHBondContact CA-OE2 3.45Å; E396-E400 HydrophobicContact CB-CB 4.25Å; E396-R401 VanDerWaalsContact CD-CB 3.43Å; E396-R401 HydrophobicContact CG-CB 4.06Å; E396-R401 VanDerWaalsContact OE1-CB 3.26Å; E396-R401 WeakPolarHBondContact OE1-CB 3.32Å; E396-R401 WeakPolarHBondContact OE1-CD 3.46Å; E396-R401 WeakPolarHBondContact OE1-CG 3.39Å; E396-R401 WeakPolarHBondContact OE2-CA 3.46Å; E396-R404 IonicContact OE1-CZ 3Å; E396-R404 IonicContact OE1-NE 3.16Å; E396-R404 IonicContact OE1-NH2 2.68Å; E396-R404 PolarHBondContact OE1-NH2 3.44Å; E396-R404 VanDerWaalsContact OE1-NH2 3.09Å; E396-R404 IonicContact OE2-CZ 2.96Å; E396-R404 IonicContact OE2-NE 3.87Å; E396-R404 PolarHBondContact OE2-NE 3.3Å; E396-R404 IonicContact OE2-NH2 3.95Å
397T91.7Very high89.1Confident70 Ų7051.7 Ų51.743%0.42927%0.265SS..PPolyproline II helixtrans-63.4162.3169.1690000110.4G395 E399 E400 R401G395-T397 PolarHBondContact O-N 3.34Å; T397-E399 VanDerWaalsContact C-N 3.27Å; T397-E399 PolarHBondContact O-N 3.16Å; T397-E400 WeakPolarHBondContact CB-OE2 2.95Å; T397-E400 WeakPolarHBondContact CG2-OE2 3.39Å; T397-E400 PolarHBondContact N-OE2 3.12Å; T397-E400 PolarHBondContact O-N 2.9Å; T397-E400 WeakPolarHBondContact OG1-CB 3.28Å; T397-E400 WeakPolarHBondContact OG1-CG 3.43Å; T397-E400 PolarHBondContact OG1-N 2.83Å; T397-E400 PolarHBondContact OG1-OE2 2.96Å; T397-R401 PolarHBondContact O-N 2.91Å
398R90.8Very high89.8Confident66 Ų6645 Ų4525%0.24923%0.228CC..Hα-helixtrans-60-37.2177.1-58.9-162-49.3-122-5.6112.9T402 L603 E605 D606 E609R398-T402 WeakPolarHBondContact O-CB 3.32Å; R398-T402 PolarHBondContact O-N 3Å; R398-T402 PolarHBondContact O-OG1 2.71Å; R398-L603 HydrophobicContact CB-CD1 4.16Å; R398-L603 HydrophobicContact CG-CD1 4.38Å; R398-E605 VanDerWaalsContact CZ-CB 3.44Å; R398-D606 IonicContact NE-OD1 2.9Å; R398-D606 IonicContact NH2-OD1 3.67Å; R398-E609 IonicContact CZ-OE1 3.89Å; R398-E609 IonicContact CZ-OE2 2.67Å; R398-E609 IonicContact NH1-OE1 3.09Å; R398-E609 PolarHBondContact NH1-OE1 3Å; R398-E609 IonicContact NH1-OE2 2.77Å; R398-E609 IonicContact NH2-OE1 3.87Å; R398-E609 PolarHBondContact NH2-OE1 2.96Å; R398-E609 VanDerWaalsContact NH2-OE1 3.16Å; R398-E609 IonicContact NH2-OE2 3.81Å; R398-E609 PolarHBondContact NH2-OE2 3.05Å
399E92.5Very high90.4Very high61 Ų6144.2 Ų44.229%0.28523%0.225SC..Hα-helixtrans-67.6-46.1179.2-173.6176-147.600110.2T397 T402 F403 K613T397-E399 VanDerWaalsContact C-N 3.27Å; T397-E399 PolarHBondContact O-N 3.16Å; E399-T402 WeakPolarHBondContact O-CB 3.48Å; E399-T402 PolarHBondContact O-N 2.71Å; E399-F403 HydrophobicContact CG-CD2 4.03Å; E399-F403 HydrophobicContact CG-CE2 3.4Å; E399-F403 HydrophobicContact CG-CZ 3.74Å; E399-F403 WeakPolarHBondContact O-CD2 3.42Å; E399-F403 WeakPolarHBondContact O-CG 3.33Å; E399-F403 PolarHBondContact O-N 3.25Å; E399-K613 WeakPolarHBondContact OE1-CD 3.41Å; E399-K613 IonicContact OE1-NZ 2.77Å; E399-K613 PolarHBondContact OE1-NZ 3.39Å
400E94.7Very high90.7Very high19 Ų1940.8 Ų40.89%0.08921%0.207CC..Hα-helixtrans-59.8-48.2176.1-70.9161.5167.900112.1E396 T397 T402 F403 R404 L419 Y420 L495E396-E400 WeakPolarHBondContact CA-OE2 3.45Å; E396-E400 HydrophobicContact CB-CB 4.25Å; T397-E400 WeakPolarHBondContact CB-OE2 2.95Å; T397-E400 WeakPolarHBondContact CG2-OE2 3.39Å; T397-E400 PolarHBondContact N-OE2 3.12Å; T397-E400 PolarHBondContact O-N 2.9Å; T397-E400 WeakPolarHBondContact OG1-CB 3.28Å; T397-E400 WeakPolarHBondContact OG1-CG 3.43Å; T397-E400 PolarHBondContact OG1-N 2.83Å; T397-E400 PolarHBondContact OG1-OE2 2.96Å; E400-T402 VanDerWaalsContact C-N 3.28Å; E400-T402 PolarHBondContact O-N 2.8Å; E400-F403 PolarHBondContact O-N 3.31Å; E400-R404 WeakPolarHBondContact O-CB 3.17Å; E400-R404 PolarHBondContact O-N 3.35Å; E400-L419 HydrophobicContact CB-CD2 4.26Å; E400-L419 HydrophobicContact CG-CD2 3.99Å; E400-Y420 WeakPolarHBondContact CG-OH 3.33Å; E400-Y420 WeakPolarHBondContact OE1-CE2 3.42Å; E400-Y420 PolarHBondContact OE1-OH 2.89Å; E400-L495 HydrophobicContact CG-CD1 4.36Å; E400-L495 HydrophobicContact CG-CD2 4Å
401R93.8Very high90.8Very high64 Ų6438.2 Ų38.224%0.24220%0.2CC..Hα-helixtrans-56.2-44.4175.6-179.1168.560.4-104.64.7112E396 T397 F403 R404 N405 L603E396-R401 VanDerWaalsContact CD-CB 3.43Å; E396-R401 HydrophobicContact CG-CB 4.06Å; E396-R401 VanDerWaalsContact OE1-CB 3.26Å; E396-R401 WeakPolarHBondContact OE1-CB 3.32Å; E396-R401 WeakPolarHBondContact OE1-CD 3.46Å; E396-R401 WeakPolarHBondContact OE1-CG 3.39Å; E396-R401 WeakPolarHBondContact OE2-CA 3.46Å; T397-R401 PolarHBondContact O-N 2.91Å; R401-F403 VanDerWaalsContact C-N 3.34Å; R401-F403 PolarHBondContact O-N 3.31Å; R401-R404 PolarHBondContact O-N 2.97Å; R401-N405 WeakPolarHBondContact O-CB 3.34Å; R401-N405 VanDerWaalsContact O-CG 3.28Å; R401-N405 PolarHBondContact O-N 3.21Å; R401-L603 VanDerWaalsContact NH2-CD1 3.27Å
402T95.6Very high91.2Very high4 Ų434 Ų343%0.02517%0.174CC..Hα-helixtrans-62-44.7179.7-61.40000110.9R398 E399 E400 W406 M502 M614R398-T402 WeakPolarHBondContact O-CB 3.32Å; R398-T402 PolarHBondContact O-N 3Å; R398-T402 PolarHBondContact O-OG1 2.71Å; E399-T402 WeakPolarHBondContact O-CB 3.48Å; E399-T402 PolarHBondContact O-N 2.71Å; E400-T402 VanDerWaalsContact C-N 3.28Å; E400-T402 PolarHBondContact O-N 2.8Å; T402-W406 VanDerWaalsContact O-CB 3.24Å; T402-W406 WeakPolarHBondContact O-CB 3.36Å; T402-W406 PolarHBondContact O-N 3.11Å; T402-M502 HydrophobicContact CG2-CE 4.38Å; T402-M614 HydrophobicContact CG2-CE 3.52Å; T402-M614 HydrophobicContact CG2-SD 4.27Å
403F97.4Very high91.3Very high0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-66.1-43.9176.6-68.2-33.8000112.6E399 E400 R401 W406 M407 L419 L495 V498 W499 M502E399-F403 HydrophobicContact CG-CD2 4.03Å; E399-F403 HydrophobicContact CG-CE2 3.4Å; E399-F403 HydrophobicContact CG-CZ 3.74Å; E399-F403 WeakPolarHBondContact O-CD2 3.42Å; E399-F403 WeakPolarHBondContact O-CG 3.33Å; E399-F403 PolarHBondContact O-N 3.25Å; E400-F403 PolarHBondContact O-N 3.31Å; R401-F403 VanDerWaalsContact C-N 3.34Å; R401-F403 PolarHBondContact O-N 3.31Å; F403-W406 PolarHBondContact O-N 2.81Å; F403-M407 VanDerWaalsContact O-CG 3.28Å; F403-M407 WeakPolarHBondContact O-CG 3.44Å; F403-M407 PolarHBondContact O-N 3.08Å; F403-L419 HydrophobicContact CB-CD1 4.2Å; F403-L495 HydrophobicContact CD2-CD2 3.58Å; F403-L495 HydrophobicContact CE2-CD2 3.79Å; F403-V498 HydrophobicContact CB-CG1 3.71Å; F403-V498 HydrophobicContact CD1-CG1 3.95Å; F403-V498 HydrophobicContact CD2-CG1 3.8Å; F403-V498 HydrophobicContact CE2-CG1 4.39Å; F403-V498 HydrophobicContact CG-CG1 3.56Å; F403-W499 HydrophobicContact CE1-CE3 4.04Å; F403-W499 HydrophobicContact CE2-CB 4.5Å; F403-W499 HydrophobicContact CZ-CB 3.88Å; F403-W499 HydrophobicContact CZ-CE3 4.03Å; F403-M502 HydrophobicContact CD1-CB 4.46Å; F403-M502 HydrophobicContact CD1-SD 3.58Å; F403-M502 VanDerWaalsContact CD1-SD 3.58Å; F403-M502 HydrophobicContact CE1-CB 4.26Å; F403-M502 HydrophobicContact CE1-SD 3.49Å; F403-M502 WeakPolarHBondContact CE1-SD 3.49Å
404R96.9Very high91.6Very high47 Ų4733 Ų3318%0.17717%0.171CC..Hα-helixtrans-57.2-51.9175.9-176.7-177.761.976.31.7111.1E396 E400 R401 W406 M407 N408 V416 N417 L419E396-R404 IonicContact OE1-CZ 3Å; E396-R404 IonicContact OE1-NE 3.16Å; E396-R404 IonicContact OE1-NH2 2.68Å; E396-R404 PolarHBondContact OE1-NH2 3.44Å; E396-R404 VanDerWaalsContact OE1-NH2 3.09Å; E396-R404 IonicContact OE2-CZ 2.96Å; E396-R404 IonicContact OE2-NE 3.87Å; E396-R404 PolarHBondContact OE2-NE 3.3Å; E396-R404 IonicContact OE2-NH2 3.95Å; E400-R404 WeakPolarHBondContact O-CB 3.17Å; E400-R404 PolarHBondContact O-N 3.35Å; R401-R404 PolarHBondContact O-N 2.97Å; R404-W406 VanDerWaalsContact C-N 3.33Å; R404-W406 PolarHBondContact O-N 3.24Å; R404-M407 PolarHBondContact O-N 3.38Å; R404-N408 WeakPolarHBondContact O-CB 3.49Å; R404-N408 PolarHBondContact O-N 2.75Å; R404-N408 PolarHBondContact O-ND2 3.38Å; R404-V416 WeakPolarHBondContact CD-O 3.45Å; R404-V416 HydrophobicContact CG-CB 4.28Å; R404-V416 HydrophobicContact CG-CG1 4.04Å; R404-V416 VanDerWaalsContact CG-O 3.26Å; R404-V416 WeakPolarHBondContact CG-O 3.42Å; R404-N417 VanDerWaalsContact CD-O 3.32Å; R404-N417 WeakPolarHBondContact CD-O 3.38Å; R404-L419 HydrophobicContact CB-CD1 4.19Å
405N96.7Very high92Very high14 Ų1429.3 Ų29.38%0.07515%0.154CC..Hα-helixtrans-62.4-40.5178.2-70.6-6.3000112.1A206 I207 G208 R401 S409A206-N405 VanDerWaalsContact O-CB 3.32Å; A206-N405 WeakPolarHBondContact O-CB 3.36Å; A206-N405 PolarHBondContact O-ND2 3.36Å; I207-N405 PolarHBondContact O-OD1 3.22Å; G208-N405 WeakPolarHBondContact CA-O 3.22Å; R401-N405 WeakPolarHBondContact O-CB 3.34Å; R401-N405 VanDerWaalsContact O-CG 3.28Å; R401-N405 PolarHBondContact O-N 3.21Å; N405-S409 VanDerWaalsContact O-CB 3.28Å; N405-S409 WeakPolarHBondContact O-CB 3.17Å; N405-S409 PolarHBondContact O-N 2.81Å; N405-S409 PolarHBondContact O-OG 3.15Å
406W96.3Very high92.6Very high1 Ų127.3 Ų27.30%0.00413%0.133CC..Hα-helixtrans-58.6-53.5174.4167.463.6000111.4T402 F403 R404 N408 S409 L410 L432 V498 L501 M502 Y505 Y601T402-W406 VanDerWaalsContact O-CB 3.24Å; T402-W406 WeakPolarHBondContact O-CB 3.36Å; T402-W406 PolarHBondContact O-N 3.11Å; F403-W406 PolarHBondContact O-N 2.81Å; R404-W406 VanDerWaalsContact C-N 3.33Å; R404-W406 PolarHBondContact O-N 3.24Å; W406-N408 PolarHBondContact O-N 2.6Å; W406-S409 PolarHBondContact O-N 3.33Å; W406-S409 PolarHBondContact O-OG 2.85Å; W406-L410 HydrophobicContact CD2-CD1 4.49Å; W406-L410 HydrophobicContact CZ2-CD1 3.74Å; W406-L410 WeakPolarHBondContact O-CG 3.34Å; W406-L410 PolarHBondContact O-N 3.35Å; W406-L432 HydrophobicContact CH2-CD1 4.24Å; W406-L432 HydrophobicContact CH2-CD2 4.01Å; W406-L432 HydrophobicContact CZ2-CD2 4.35Å; W406-L432 HydrophobicContact CZ3-CD1 4.15Å; W406-L432 HydrophobicContact CZ3-CD2 4.41Å; W406-V498 HydrophobicContact CZ3-CG1 4.29Å; W406-L501 HydrophobicContact CH2-CB 3.91Å; W406-L501 HydrophobicContact CZ3-CB 4.42Å; W406-M502 HydrophobicContact CB-CE 4.41Å; W406-M502 HydrophobicContact CD2-CB 4.11Å; W406-M502 HydrophobicContact CD2-CG 3.83Å; W406-M502 HydrophobicContact CD2-SD 4.36Å; W406-M502 HydrophobicContact CE3-CB 3.89Å; W406-M502 HydrophobicContact CE3-CG 4.08Å; W406-M502 HydrophobicContact CG-CE 4.26Å; W406-M502 HydrophobicContact CG-CG 4.27Å; W406-M502 HydrophobicContact CG-SD 4.41Å; W406-M502 VanDerWaalsContact CH2-CA 3.5Å; W406-M502 HydrophobicContact CH2-CB 3.87Å; W406-M502 HydrophobicContact CZ2-CB 4.06Å; W406-M502 HydrophobicContact CZ2-CG 4.29Å; W406-M502 HydrophobicContact CZ3-CB 3.77Å; W406-M502 HydrophobicContact CZ3-CG 4.42Å; W406-Y505 AromaticContact CE2-CD1 3.92Å; W406-Y505 HydrophobicContact CZ2-CD1 4.07Å; W406-Y505 AromaticContact CZ2-CG 3.87Å; W406-Y505 HydrophobicContact CZ2-CG 3.87Å; W406-Y505 AromaticContact NE1-CD1 3.23Å; W406-Y505 AromaticContact NE1-CE1 3.41Å; W406-Y505 AromaticContact NE1-CG 3.87Å; W406-Y601 HydrophobicContact CB-CD1 3.98Å; W406-Y601 HydrophobicContact CB-CE1 4.03Å; W406-Y601 HydrophobicContact CB-CG 4.33Å; W406-Y601 AromaticContact CD1-CE2 3.75Å; W406-Y601 AromaticContact CD1-CZ 3.74Å
407M96.7Very high92.8Very high0 Ų027.2 Ų27.20%013%0.134CC..Hα-helixtrans-58.5-49.2179.2-67-175.2-67.700111.6F403 R404 S409 L410 V412 V416 L419 L423 V428 L432 V498F403-M407 VanDerWaalsContact O-CG 3.28Å; F403-M407 WeakPolarHBondContact O-CG 3.44Å; F403-M407 PolarHBondContact O-N 3.08Å; R404-M407 PolarHBondContact O-N 3.38Å; M407-S409 VanDerWaalsContact C-N 3.29Å; M407-S409 PolarHBondContact O-N 3.17Å; M407-L410 WeakPolarHBondContact O-CB 3.37Å; M407-L410 PolarHBondContact O-N 3.08Å; M407-V412 HydrophobicContact CB-CG1 4.41Å; M407-V412 HydrophobicContact CB-CG2 4.07Å; M407-V412 WeakPolarHBondContact O-CG1 3.37Å; M407-V412 WeakPolarHBondContact O-CG2 3.26Å; M407-V416 HydrophobicContact CE-CG1 4.08Å; M407-V416 HydrophobicContact CE-CG2 4.29Å; M407-L419 HydrophobicContact CE-CD1 3.25Å; M407-L419 HydrophobicContact CE-CG 4.43Å; M407-L423 HydrophobicContact CE-CD1 4.36Å; M407-L423 HydrophobicContact SD-CD1 4.39Å; M407-L423 HydrophobicContact SD-CD2 4.4Å; M407-V428 HydrophobicContact SD-CG1 4.05Å; M407-L432 HydrophobicContact CG-CD1 3.69Å; M407-L432 HydrophobicContact CG-CD2 4.21Å; M407-L432 HydrophobicContact SD-CD1 3.62Å; M407-V498 HydrophobicContact SD-CG1 4.44Å
408N95.4Very high92.9Very high5 Ų526 Ų263%0.02712%0.123CC..Hα-helixtrans-61.9-36.9179.8-72-26.8000112.5R404 W406 L410 G411 H415 V416R404-N408 WeakPolarHBondContact O-CB 3.49Å; R404-N408 PolarHBondContact O-N 2.75Å; R404-N408 PolarHBondContact O-ND2 3.38Å; W406-N408 PolarHBondContact O-N 2.6Å; N408-L410 PolarHBondContact O-N 2.82Å; N408-G411 PolarHBondContact O-N 3.41Å; N408-H415 PolarHBondContact ND2-CE1 2.71Å; N408-H415 PolarHBondContact ND2-NE2 3.47Å; N408-H415 PolarHBondContact OD1-ND1 3.38Å; N408-V416 PolarHBondContact ND2-O 3.31Å; N408-V416 PolarHBondContact OD1-N 3.12Å
409S94Very high93.1Very high2 Ų223.5 Ų23.51%0.01412%0.115CC..Hα-helixtrans-65-22.2175.875.70000113.8S205 C209 H210 N405 W406 M407 G411 Y601S205-S409 WeakPolarHBondContact O-CB 3.3Å; S205-S409 WeakPolarHBondContact OG-CB 3.49Å; C209-S409 WeakPolarHBondContact O-CA 3.49Å; C209-S409 WeakPolarHBondContact O-CB 3.44Å; H210-S409 PolarHBondContact ND1-O 3.35Å; H210-S409 VanDerWaalsContact ND1-O 3.07Å; N405-S409 VanDerWaalsContact O-CB 3.28Å; N405-S409 WeakPolarHBondContact O-CB 3.17Å; N405-S409 PolarHBondContact O-N 2.81Å; N405-S409 PolarHBondContact O-OG 3.15Å; W406-S409 PolarHBondContact O-N 3.33Å; W406-S409 PolarHBondContact O-OG 2.85Å; M407-S409 VanDerWaalsContact C-N 3.29Å; M407-S409 PolarHBondContact O-N 3.17Å; S409-G411 VanDerWaalsContact C-N 3.25Å; S409-G411 PolarHBondContact O-N 2.96Å; S409-Y601 WeakPolarHBondContact OG-CE1 3.5Å; S409-Y601 PolarHBondContact OG-OH 3.15Å
410L91.1Very high93.2Very high7 Ų722.3 Ų22.34%0.03711%0.108CC..THydrogen-bonded Turntrans-82.71173.4-59.5-179.3000113.6W406 M407 N408 L432 R435 Y505W406-L410 HydrophobicContact CD2-CD1 4.49Å; W406-L410 HydrophobicContact CZ2-CD1 3.74Å; W406-L410 WeakPolarHBondContact O-CG 3.34Å; W406-L410 PolarHBondContact O-N 3.35Å; M407-L410 WeakPolarHBondContact O-CB 3.37Å; M407-L410 PolarHBondContact O-N 3.08Å; N408-L410 PolarHBondContact O-N 2.82Å; L410-L432 HydrophobicContact CD1-CD2 3.66Å; L410-R435 HydrophobicContact CD1-CB 4.48Å; L410-R435 HydrophobicContact CD1-CG 4.32Å; L410-R435 PolarHBondContact O-NE 3.08Å; L410-Y505 HydrophobicContact CD1-CD2 4.41Å; L410-Y505 HydrophobicContact CD1-CE2 4.28Å; L410-Y505 HydrophobicContact CD2-CE1 4.42Å; L410-Y505 HydrophobicContact CD2-CE2 3.83Å; L410-Y505 WeakPolarHBondContact CD2-OH 2.76Å
411G86.7Confident93.1Very high10 Ų1022.6 Ų22.610%0.10311%0.113CC..THydrogen-bonded Turntrans73.730.3177.200000113.4N27 H210 N408 S409N27-G411 WeakPolarHBondContact CB-O 3.35Å; H210-G411 VanDerWaalsContact ND1-CA 3.27Å; H210-G411 WeakPolarHBondContact ND1-CA 2.95Å; H210-G411 PolarHBondContact ND1-N 3.09Å; H210-G411 VanDerWaalsContact ND1-N 3.13Å; N408-G411 PolarHBondContact O-N 3.41Å; S409-G411 VanDerWaalsContact C-N 3.25Å; S409-G411 PolarHBondContact O-N 2.96Å
412V90.7Very high93.2Very high10 Ų1021.3 Ų21.36%0.06111%0.111CC..  trans-62.7151.6177.7-61.40000111.5M407 P414 V416 V428 L432M407-V412 HydrophobicContact CB-CG1 4.41Å; M407-V412 HydrophobicContact CB-CG2 4.07Å; M407-V412 WeakPolarHBondContact O-CG1 3.37Å; M407-V412 WeakPolarHBondContact O-CG2 3.26Å; V412-P414 CarbonylContact C-O 3.56Å; V412-V416 HydrophobicContact CG2-CG2 3.93Å; V412-V428 HydrophobicContact CB-CB 4.49Å; V412-V428 HydrophobicContact CB-CG1 3.84Å; V412-V428 HydrophobicContact CB-CG2 4.26Å; V412-V428 HydrophobicContact CG1-CG1 3.96Å; V412-V428 HydrophobicContact CG2-CG1 3.87Å; V412-V428 HydrophobicContact CG2-CG2 4.29Å; V412-L432 HydrophobicContact CG1-CD2 3.76Å; V412-L432 HydrophobicContact CG1-CG 4.17Å
413N82.2Confident93.3Very high20 Ų2021.1 Ų21.111%0.10711%0.11CC..SBendtrans-140.5120.4-172.2-145.8-1.1000113Y35 Q431Y35-N413 HydrophobicContact CD1-CB 4.16Å; Y35-N413 WeakPolarHBondContact CD1-ND2 3.33Å; Y35-N413 HydrophobicContact CE1-CB 4.16Å; Y35-N413 WeakPolarHBondContact CE1-ND2 3.28Å; Y35-N413 WeakPolarHBondContact CE1-OD1 3.49Å; Y35-N413 VanDerWaalsContact CZ-OD1 3.29Å; Y35-N413 PolarHBondContact OH-OD1 3.08Å; N413-Q431 PolarHBondContact O-NE2 2.86Å
414P87.7Confident93.3Very high36 Ų3623.1 Ų23.123%0.23412%0.12CC..SBendcis-63.8161.2429.1-37000113.6V412V412-P414 CarbonylContact C-O 3.56Å
415H89.7Confident93.3Very high91 Ų9121.7 Ų21.742%0.42112%0.116SC..  trans-60.4137.8169.9-173.185.8000110.2N408 N417N408-H415 PolarHBondContact ND2-CE1 2.71Å; N408-H415 PolarHBondContact ND2-NE2 3.47Å; N408-H415 PolarHBondContact OD1-ND1 3.38Å; H415-N417 PolarHBondContact O-N 2.94Å
416V95.8Very high93.4Very high0 Ų021 Ų210%011%0.112CC..  trans-89107.9-179.9-1750000109.2R404 M407 N408 V412 D422 V428R404-V416 WeakPolarHBondContact CD-O 3.45Å; R404-V416 HydrophobicContact CG-CB 4.28Å; R404-V416 HydrophobicContact CG-CG1 4.04Å; R404-V416 VanDerWaalsContact CG-O 3.26Å; R404-V416 WeakPolarHBondContact CG-O 3.42Å; M407-V416 HydrophobicContact CE-CG1 4.08Å; M407-V416 HydrophobicContact CE-CG2 4.29Å; N408-V416 PolarHBondContact ND2-O 3.31Å; N408-V416 PolarHBondContact OD1-N 3.12Å; V412-V416 HydrophobicContact CG2-CG2 3.93Å; V416-D422 HydrophobicContact CG1-CB 4.24Å; V416-V428 HydrophobicContact CG2-CG1 3.97Å; V416-V428 HydrophobicContact CG2-CG2 4.05Å
417N93.4Very high93.4Very high44 Ų4421.5 Ų21.524%0.23512%0.115CC..SBendtrans-93.1-47.8168.5-59.1-73.9000109.8P269 R404 H415 D422P269-N417 WeakPolarHBondContact CD-OD1 3.37Å; R404-N417 VanDerWaalsContact CD-O 3.32Å; R404-N417 WeakPolarHBondContact CD-O 3.38Å; H415-N417 PolarHBondContact O-N 2.94Å; N417-D422 PolarHBondContact N-OD2 3.41Å
418H93.3Very high93.4Very high45 Ų4521.5 Ų21.521%0.20812%0.115CC..SBendtrans-118.598.4-173.1-58.4-58.1000109.8M265 K266 L267 Y420 A421 D422M265-H418 PolarHBondContact O-CD2 2.99Å; M265-H418 VanDerWaalsContact O-CD2 3.3Å; M265-H418 PolarHBondContact O-CE1 3.01Å; M265-H418 PolarHBondContact O-ND1 2.86Å; M265-H418 PolarHBondContact O-NE2 2.93Å; K266-H418 PolarHBondContact O-CD2 3.32Å; L267-H418 PolarHBondContact O-NE2 2.73Å; H418-Y420 PolarHBondContact O-N 3.17Å; H418-A421 HydrophobicContact CB-CB 4.04Å; H418-A421 PolarHBondContact O-N 3.09Å; H418-A421 VanDerWaalsContact O-N 3.12Å; H418-D422 PolarHBondContact N-OD2 3.43Å; H418-D422 WeakPolarHBondContact O-CB 3.42Å; H418-D422 PolarHBondContact O-N 3.27Å
419L94.9Very high93.6Very high13 Ų1321.3 Ų21.37%0.06811%0.113CC..THydrogen-bonded Turntrans-45.2-42.5-168.9-166.188.5000113.7E400 F403 R404 M407 L423 L495E400-L419 HydrophobicContact CB-CD2 4.26Å; E400-L419 HydrophobicContact CG-CD2 3.99Å; F403-L419 HydrophobicContact CB-CD1 4.2Å; R404-L419 HydrophobicContact CB-CD1 4.19Å; M407-L419 HydrophobicContact CE-CD1 3.25Å; M407-L419 HydrophobicContact CE-CG 4.43Å; L419-L423 HydrophobicContact CG-CD1 4.48Å; L419-L423 WeakPolarHBondContact O-CB 3.17Å; L419-L423 VanDerWaalsContact O-CD1 3.23Å; L419-L423 WeakPolarHBondContact O-CD1 3.24Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; L419-L495 HydrophobicContact CD2-CD2 3.55Å; L419-L495 HydrophobicContact CD2-CG 4.45Å
420Y94.9Very high93.8Very high37 Ų3721.2 Ų21.215%0.14511%0.113CC..THydrogen-bonded Turntrans-85.2-42.1-175.4-55.2-59.7000113.1E400 H418 Q424 Q491 T494 L495E400-Y420 WeakPolarHBondContact CG-OH 3.33Å; E400-Y420 WeakPolarHBondContact OE1-CE2 3.42Å; E400-Y420 PolarHBondContact OE1-OH 2.89Å; H418-Y420 PolarHBondContact O-N 3.17Å; Y420-Q424 VanDerWaalsContact O-CG 3.25Å; Y420-Q424 WeakPolarHBondContact O-CG 3.22Å; Y420-Q491 HydrophobicContact CD1-CB 4.31Å; Y420-Q491 HydrophobicContact CD1-CG 4.16Å; Y420-Q491 HydrophobicContact CD2-CG 3.78Å; Y420-Q491 HydrophobicContact CE1-CB 3.73Å; Y420-Q491 HydrophobicContact CE1-CG 3.92Å; Y420-Q491 HydrophobicContact CE2-CB 4.05Å; Y420-Q491 HydrophobicContact CE2-CG 3.5Å; Y420-Q491 HydrophobicContact CG-CG 4.08Å; Y420-T494 HydrophobicContact CD1-CG2 4.17Å; Y420-T494 HydrophobicContact CE1-CG2 4.47Å; Y420-L495 HydrophobicContact CE1-CG 4.16Å; Y420-L495 VanDerWaalsContact OH-CD1 3.26Å; Y420-L495 WeakPolarHBondContact OH-CD1 3.44Å; Y420-L495 WeakPolarHBondContact OH-CG 3.1Å
421A93.1Very high94Very high24 Ų2421.5 Ų21.520%0.19811%0.114CC..THydrogen-bonded Turntrans-70.3-41.3-178.200000111.8K266 H418 L423 Q424K266-A421 HydrophobicContact CG-CB 3.97Å; H418-A421 HydrophobicContact CB-CB 4.04Å; H418-A421 PolarHBondContact O-N 3.09Å; H418-A421 VanDerWaalsContact O-N 3.12Å; A421-L423 PolarHBondContact O-N 2.88Å; A421-Q424 WeakPolarHBondContact O-CG 3.2Å; A421-Q424 PolarHBondContact O-N 3.46Å
422D95.7Very high94.4Very high37 Ų3721 Ų2120%0.19811%0.109CC..THydrogen-bonded Turntrans-76.3-12.9-175.7-64.6-20.7000112.9V416 N417 H418V416-D422 HydrophobicContact CG1-CB 4.24Å; N417-D422 PolarHBondContact N-OD2 3.41Å; H418-D422 PolarHBondContact N-OD2 3.43Å; H418-D422 WeakPolarHBondContact O-CB 3.42Å; H418-D422 PolarHBondContact O-N 3.27Å
423L97.7Very high94.8Very high1 Ų120.6 Ų20.61%0.00511%0.106CC..THydrogen-bonded Turntrans-98-2.1176.4-62.2-174.9000113.9M407 L419 A421 D425 A426 V428 I429 T494 V498M407-L423 HydrophobicContact CE-CD1 4.36Å; M407-L423 HydrophobicContact SD-CD1 4.39Å; M407-L423 HydrophobicContact SD-CD2 4.4Å; L419-L423 HydrophobicContact CG-CD1 4.48Å; L419-L423 WeakPolarHBondContact O-CB 3.17Å; L419-L423 VanDerWaalsContact O-CD1 3.23Å; L419-L423 WeakPolarHBondContact O-CD1 3.24Å; L419-L423 WeakPolarHBondContact O-CG 3.46Å; A421-L423 PolarHBondContact O-N 2.88Å; L423-D425 PolarHBondContact O-N 3.33Å; L423-D425 VanDerWaalsContact O-N 3.11Å; L423-A426 PolarHBondContact O-N 3.24Å; L423-V428 HydrophobicContact CD2-CB 3.46Å; L423-V428 VanDerWaalsContact CD2-CB 3.46Å; L423-V428 HydrophobicContact CD2-CG1 3.48Å; L423-V428 VanDerWaalsContact CD2-CG1 3.48Å; L423-V428 HydrophobicContact CD2-CG2 4.22Å; L423-I429 HydrophobicContact CB-CD1 4.32Å; L423-I429 HydrophobicContact CD2-CG1 4.27Å; L423-T494 HydrophobicContact CD1-CG2 3.88Å; L423-V498 HydrophobicContact CD1-CG2 3.91Å
424Q97Very high95.3Very high42 Ų4221.3 Ų21.320%0.19611%0.109CC..THydrogen-bonded Turntrans-66.2-14-173.3-70.2-172.8-33.900115.4Y420 A421 C463 N487Y420-Q424 VanDerWaalsContact O-CG 3.25Å; Y420-Q424 WeakPolarHBondContact O-CG 3.22Å; A421-Q424 WeakPolarHBondContact O-CG 3.2Å; A421-Q424 PolarHBondContact O-N 3.46Å; Q424-C463 PolarHBondContact O-SG 2.91Å; Q424-N487 WeakPolarHBondContact CG-O 3.45Å; Q424-N487 PolarHBondContact NE2-O 3Å; Q424-N487 WeakPolarHBondContact O-CA 3.41Å; Q424-N487 PolarHBondContact O-ND2 2.88Å
425D96.5Very high95.4Very high17 Ų1722.1 Ų22.19%0.09111%0.108CC..THydrogen-bonded Turntrans-110.36.8173.676.20.8000113.7L423 L427 Y450 K459 N462L423-D425 PolarHBondContact O-N 3.33Å; L423-D425 VanDerWaalsContact O-N 3.11Å; D425-L427 PolarHBondContact O-N 2.98Å; D425-L427 WeakPolarHBondContact OD1-CB 3.2Å; D425-L427 WeakPolarHBondContact OD1-CG 3.18Å; D425-L427 PolarHBondContact OD1-N 3.43Å; D425-L427 VanDerWaalsContact OD1-N 3.09Å; D425-L427 VanDerWaalsContact OD2-CD1 3.32Å; D425-L427 WeakPolarHBondContact OD2-CD1 3.36Å; D425-Y450 HydrophobicContact CB-CE2 4.34Å; D425-Y450 WeakPolarHBondContact CB-OH 3.44Å; D425-Y450 WeakPolarHBondContact OD2-CE2 3.44Å; D425-Y450 PolarHBondContact OD2-OH 2.87Å; D425-K459 HydrophobicContact CB-CB 3.85Å; D425-K459 HydrophobicContact CB-CD 3.9Å; D425-K459 HydrophobicContact CB-CG 3.56Å; D425-N462 WeakPolarHBondContact O-CB 3.46Å; D425-N462 PolarHBondContact O-ND2 2.95Å
426A98.2Very high95.5Very high0 Ų018 Ų180%09%0.089CC..  trans55.69.7179.200000116.8L423 V428 I429 L430 N462 C463 A466L423-A426 PolarHBondContact O-N 3.24Å; A426-V428 VanDerWaalsContact C-N 3.33Å; A426-V428 PolarHBondContact O-N 3.04Å; A426-I429 HydrophobicContact CB-CB 4.31Å; A426-I429 HydrophobicContact CB-CD1 4.41Å; A426-I429 WeakPolarHBondContact O-CB 3.45Å; A426-I429 PolarHBondContact O-N 3.4Å; A426-I429 VanDerWaalsContact O-N 3.13Å; A426-L430 WeakPolarHBondContact O-CB 3.39Å; A426-L430 VanDerWaalsContact O-CG 3.22Å; A426-L430 WeakPolarHBondContact O-CG 3.33Å; A426-L430 PolarHBondContact O-N 3.31Å; A426-N462 HydrophobicContact CB-CB 4.36Å; A426-C463 HydrophobicContact CB-CB 4.44Å; A426-A466 HydrophobicContact CB-CB 3.73Å
427L96.9Very high95.2Very high11 Ų1124.1 Ų24.16%0.05812%0.115CC..Hα-helixtrans-60.4-42.2-178.6-71.5179.5000112.8D425 L430 Q431 W442 V445 P448D425-L427 PolarHBondContact O-N 2.98Å; D425-L427 WeakPolarHBondContact OD1-CB 3.2Å; D425-L427 WeakPolarHBondContact OD1-CG 3.18Å; D425-L427 PolarHBondContact OD1-N 3.43Å; D425-L427 VanDerWaalsContact OD1-N 3.09Å; D425-L427 VanDerWaalsContact OD2-CD1 3.32Å; D425-L427 WeakPolarHBondContact OD2-CD1 3.36Å; L427-L430 PolarHBondContact O-N 3.41Å; L427-Q431 PolarHBondContact O-N 3.4Å; L427-Q431 VanDerWaalsContact O-N 3.1Å; L427-Q431 PolarHBondContact O-NE2 2.64Å; L427-W442 HydrophobicContact CD2-CZ3 4.35Å; L427-V445 HydrophobicContact CD2-CG1 3.5Å; L427-V445 VanDerWaalsContact CD2-CG1 3.5Å; L427-P448 HydrophobicContact CD1-CG 4.3Å
428V97Very high95.2Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-65.7-44.3175168.40000110.6M407 V412 V416 L423 A426 L430 Q431 L432M407-V428 HydrophobicContact SD-CG1 4.05Å; V412-V428 HydrophobicContact CB-CB 4.49Å; V412-V428 HydrophobicContact CB-CG1 3.84Å; V412-V428 HydrophobicContact CB-CG2 4.26Å; V412-V428 HydrophobicContact CG1-CG1 3.96Å; V412-V428 HydrophobicContact CG2-CG1 3.87Å; V412-V428 HydrophobicContact CG2-CG2 4.29Å; V416-V428 HydrophobicContact CG2-CG1 3.97Å; V416-V428 HydrophobicContact CG2-CG2 4.05Å; L423-V428 HydrophobicContact CD2-CB 3.46Å; L423-V428 VanDerWaalsContact CD2-CB 3.46Å; L423-V428 HydrophobicContact CD2-CG1 3.48Å; L423-V428 VanDerWaalsContact CD2-CG1 3.48Å; L423-V428 HydrophobicContact CD2-CG2 4.22Å; A426-V428 VanDerWaalsContact C-N 3.33Å; A426-V428 PolarHBondContact O-N 3.04Å; V428-L430 VanDerWaalsContact C-N 3.28Å; V428-L430 PolarHBondContact O-N 3.13Å; V428-Q431 WeakPolarHBondContact O-CB 3.35Å; V428-Q431 PolarHBondContact O-N 3.33Å; V428-L432 HydrophobicContact CG1-CD1 4.17Å; V428-L432 HydrophobicContact CG1-CG 4.47Å; V428-L432 VanDerWaalsContact O-CG 3.3Å; V428-L432 WeakPolarHBondContact O-CG 3.31Å; V428-L432 PolarHBondContact O-N 2.77Å
429I98.5Very high95.2Very high0 Ų025.1 Ų25.10%013%0.128CC..Hα-helixtrans-58.5-41.7177-69.6167.6000111.1L423 A426 L432 Y433 A466 L486 L497 L501L423-I429 HydrophobicContact CB-CD1 4.32Å; L423-I429 HydrophobicContact CD2-CG1 4.27Å; A426-I429 HydrophobicContact CB-CB 4.31Å; A426-I429 HydrophobicContact CB-CD1 4.41Å; A426-I429 WeakPolarHBondContact O-CB 3.45Å; A426-I429 PolarHBondContact O-N 3.4Å; A426-I429 VanDerWaalsContact O-N 3.13Å; I429-L432 WeakPolarHBondContact O-CB 3.38Å; I429-L432 PolarHBondContact O-N 3.27Å; I429-Y433 HydrophobicContact CG2-CD2 4.08Å; I429-Y433 HydrophobicContact CG2-CE2 3.62Å; I429-Y433 WeakPolarHBondContact O-CD2 3.34Å; I429-Y433 PolarHBondContact O-N 3.17Å; I429-A466 HydrophobicContact CG2-CB 3.88Å; I429-L486 HydrophobicContact CD1-CD1 4.1Å; I429-L497 HydrophobicContact CD1-CD2 4.12Å; I429-L497 HydrophobicContact CG2-CD2 4.18Å; I429-L501 HydrophobicContact CG2-CD1 4.13Å
430L98.1Very high95.2Very high0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-64-42.5176.9-67.8165.2000111.9A426 L427 V428 L432 Y433 E434 V440 W442 V445 N462 Y465 A466 L469A426-L430 WeakPolarHBondContact O-CB 3.39Å; A426-L430 VanDerWaalsContact O-CG 3.22Å; A426-L430 WeakPolarHBondContact O-CG 3.33Å; A426-L430 PolarHBondContact O-N 3.31Å; L427-L430 PolarHBondContact O-N 3.41Å; V428-L430 VanDerWaalsContact C-N 3.28Å; V428-L430 PolarHBondContact O-N 3.13Å; L430-L432 VanDerWaalsContact C-N 3.31Å; L430-L432 PolarHBondContact O-N 2.93Å; L430-Y433 HydrophobicContact CD2-CD2 4.44Å; L430-Y433 WeakPolarHBondContact O-CB 3.18Å; L430-Y433 PolarHBondContact O-N 2.84Å; L430-E434 PolarHBondContact O-N 2.82Å; L430-V440 HydrophobicContact CB-CG1 4.33Å; L430-V440 HydrophobicContact CD2-CG1 4Å; L430-V440 WeakPolarHBondContact O-CG2 3.16Å; L430-W442 HydrophobicContact CB-CH2 3.84Å; L430-W442 HydrophobicContact CB-CZ2 4.36Å; L430-W442 HydrophobicContact CB-CZ3 4.36Å; L430-V445 HydrophobicContact CD1-CB 4.41Å; L430-V445 HydrophobicContact CD1-CG1 3.7Å; L430-V445 HydrophobicContact CD1-CG2 3.76Å; L430-N462 HydrophobicContact CD1-CB 4.45Å; L430-Y465 HydrophobicContact CD2-CD1 3.95Å; L430-Y465 HydrophobicContact CD2-CE1 4.17Å; L430-A466 HydrophobicContact CD2-CB 4.12Å; L430-A466 HydrophobicContact CG-CB 4.41Å; L430-L469 HydrophobicContact CD2-CD1 3.76Å
431Q95.4Very high95.2Very high14 Ų1426.2 Ų26.27%0.06514%0.137CC..Hα-helixtrans-61.1-39.4171.4-76160.977.200112.6N413 L427 V428 Y433 E434 R435 W442N413-Q431 PolarHBondContact O-NE2 2.86Å; L427-Q431 PolarHBondContact O-N 3.4Å; L427-Q431 VanDerWaalsContact O-N 3.1Å; L427-Q431 PolarHBondContact O-NE2 2.64Å; V428-Q431 WeakPolarHBondContact O-CB 3.35Å; V428-Q431 PolarHBondContact O-N 3.33Å; Q431-Y433 VanDerWaalsContact C-N 3.28Å; Q431-Y433 PolarHBondContact O-N 3.3Å; Q431-E434 WeakPolarHBondContact O-CB 3.33Å; Q431-E434 PolarHBondContact O-N 3.4Å; Q431-R435 PolarHBondContact O-N 3.04Å; Q431-W442 HydrophobicContact CG-CH2 3.9Å; Q431-W442 HydrophobicContact CG-CZ2 4.09Å
432L96.6Very high95.1Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-65-31.4177.1-65.1171.5000112.3W406 M407 L410 V412 V428 I429 L430 E434 R435 I436 L501W406-L432 HydrophobicContact CH2-CD1 4.24Å; W406-L432 HydrophobicContact CH2-CD2 4.01Å; W406-L432 HydrophobicContact CZ2-CD2 4.35Å; W406-L432 HydrophobicContact CZ3-CD1 4.15Å; W406-L432 HydrophobicContact CZ3-CD2 4.41Å; M407-L432 HydrophobicContact CG-CD1 3.69Å; M407-L432 HydrophobicContact CG-CD2 4.21Å; M407-L432 HydrophobicContact SD-CD1 3.62Å; L410-L432 HydrophobicContact CD1-CD2 3.66Å; V412-L432 HydrophobicContact CG1-CD2 3.76Å; V412-L432 HydrophobicContact CG1-CG 4.17Å; V428-L432 HydrophobicContact CG1-CD1 4.17Å; V428-L432 HydrophobicContact CG1-CG 4.47Å; V428-L432 VanDerWaalsContact O-CG 3.3Å; V428-L432 WeakPolarHBondContact O-CG 3.31Å; V428-L432 PolarHBondContact O-N 2.77Å; I429-L432 WeakPolarHBondContact O-CB 3.38Å; I429-L432 PolarHBondContact O-N 3.27Å; L430-L432 VanDerWaalsContact C-N 3.31Å; L430-L432 PolarHBondContact O-N 2.93Å; L432-E434 VanDerWaalsContact C-N 3.35Å; L432-R435 WeakPolarHBondContact O-CB 3.48Å; L432-R435 PolarHBondContact O-N 3.29Å; L432-I436 WeakPolarHBondContact O-CG1 3.15Å; L432-I436 PolarHBondContact O-N 3.46Å; L432-L501 HydrophobicContact CB-CD1 4.26Å; L432-L501 HydrophobicContact CB-CD2 4.4Å; L432-L501 HydrophobicContact CD1-CD1 4.11Å
433Y97.6Very high94.8Very high0 Ų028.8 Ų28.80%015%0.151CC..Hα-helixtrans-60-42.9171.9-81.4-58.3000112.1I429 L430 Q431 R435 I436 K437 V438 A466 L469 G470 A474 F476 L501I429-Y433 HydrophobicContact CG2-CD2 4.08Å; I429-Y433 HydrophobicContact CG2-CE2 3.62Å; I429-Y433 WeakPolarHBondContact O-CD2 3.34Å; I429-Y433 PolarHBondContact O-N 3.17Å; L430-Y433 HydrophobicContact CD2-CD2 4.44Å; L430-Y433 WeakPolarHBondContact O-CB 3.18Å; L430-Y433 PolarHBondContact O-N 2.84Å; Q431-Y433 VanDerWaalsContact C-N 3.28Å; Q431-Y433 PolarHBondContact O-N 3.3Å; Y433-R435 VanDerWaalsContact C-N 3.31Å; Y433-R435 PolarHBondContact O-N 3.4Å; Y433-I436 HydrophobicContact CD1-CD1 3.93Å; Y433-I436 HydrophobicContact CD1-CG1 4.34Å; Y433-I436 HydrophobicContact CE1-CD1 4.39Å; Y433-I436 CarbonylContact O-C 3.29Å; Y433-I436 WeakPolarHBondContact O-CG1 3.41Å; Y433-I436 PolarHBondContact O-N 2.83Å; Y433-I436 VanDerWaalsContact O-N 3.09Å; Y433-K437 PolarHBondContact O-N 3.07Å; Y433-V438 CarbonylContact C-O 3.56Å; Y433-V438 HydrophobicContact CD1-CB 3.8Å; Y433-V438 HydrophobicContact CD1-CG1 3.7Å; Y433-V438 HydrophobicContact CD1-CG2 4.09Å; Y433-V438 HydrophobicContact CE1-CG1 4.49Å; Y433-V438 HydrophobicContact CG-CB 4.26Å; Y433-V438 HydrophobicContact CG-CG1 4.07Å; Y433-V438 WeakPolarHBondContact O-CB 3.43Å; Y433-V438 PolarHBondContact O-N 2.91Å; Y433-A466 HydrophobicContact CE2-CB 4.23Å; Y433-A466 VanDerWaalsContact CE2-O 3.24Å; Y433-A466 WeakPolarHBondContact CE2-O 3.26Å; Y433-A466 PolarHBondContact OH-O 3.1Å; Y433-L469 HydrophobicContact CD2-CB 4.18Å; Y433-L469 HydrophobicContact CD2-CD1 4.12Å; Y433-L469 HydrophobicContact CE1-CB 4.44Å; Y433-L469 HydrophobicContact CE2-CB 3.95Å; Y433-G470 WeakPolarHBondContact OH-CA 3.4Å; Y433-G470 PolarHBondContact OH-N 3.1Å; Y433-G470 VanDerWaalsContact OH-N 3.09Å; Y433-A474 HydrophobicContact CD1-CB 4.48Å; Y433-A474 HydrophobicContact CE1-CB 3.99Å; Y433-F476 HydrophobicContact CE1-CD2 4.36Å; Y433-F476 AromaticContact CE1-CE2 3.79Å; Y433-F476 HydrophobicContact CE1-CE2 3.79Å; Y433-L501 HydrophobicContact CD1-CD2 3.84Å; Y433-L501 HydrophobicContact CE1-CD2 3.7Å; Y433-L501 HydrophobicContact CG-CD2 4.37Å
434E92.5Very high94.5Very high36 Ų3634.7 Ų34.717%0.16818%0.177CC..Hα-helixtrans-61.2-41.3175.2-62.8-169.1131.900111.4N29 L430 Q431 L432 I436 K437 V440 W442N29-E434 PolarHBondContact ND2-OE2 3.18Å; L430-E434 PolarHBondContact O-N 2.82Å; Q431-E434 WeakPolarHBondContact O-CB 3.33Å; Q431-E434 PolarHBondContact O-N 3.4Å; L432-E434 VanDerWaalsContact C-N 3.35Å; E434-I436 PolarHBondContact O-N 3.13Å; E434-I436 VanDerWaalsContact O-N 3.17Å; E434-K437 PolarHBondContact O-N 3.42Å; E434-V440 HydrophobicContact CG-CB 4.25Å; E434-V440 HydrophobicContact CG-CG2 3.92Å; E434-W442 VanDerWaalsContact CD-NE1 3.33Å; E434-W442 PolarHBondContact OE1-NE1 3.45Å
435R90.1Very high94.4Very high53 Ų5333.3 Ų33.320%0.217%0.171CC..Hα-helixtrans-60.7-25176.4-64.2-74.3174.7-96.5-16.2113.3N27 N29 L410 Q431 L432 Y433N27-R435 VanDerWaalsContact C-NH2 3.25Å; N27-R435 VanDerWaalsContact O-CZ 3.31Å; N27-R435 PolarHBondContact O-NH2 3.1Å; N27-R435 PolarHBondContact OD1-NH2 3.35Å; N29-R435 VanDerWaalsContact CB-NH1 3.26Å; L410-R435 HydrophobicContact CD1-CB 4.48Å; L410-R435 HydrophobicContact CD1-CG 4.32Å; L410-R435 PolarHBondContact O-NE 3.08Å; Q431-R435 PolarHBondContact O-N 3.04Å; L432-R435 WeakPolarHBondContact O-CB 3.48Å; L432-R435 PolarHBondContact O-N 3.29Å; Y433-R435 VanDerWaalsContact C-N 3.31Å; Y433-R435 PolarHBondContact O-N 3.4Å
436I91.8Very high94.3Very high5 Ų534 Ų343%0.02618%0.175CC..THydrogen-bonded Turntrans-103.419.7176.466.4164.3000113.7L432 Y433 E434 V438 F476 L501 R504 Y505 N508L432-I436 WeakPolarHBondContact O-CG1 3.15Å; L432-I436 PolarHBondContact O-N 3.46Å; Y433-I436 HydrophobicContact CD1-CD1 3.93Å; Y433-I436 HydrophobicContact CD1-CG1 4.34Å; Y433-I436 HydrophobicContact CE1-CD1 4.39Å; Y433-I436 CarbonylContact O-C 3.29Å; Y433-I436 WeakPolarHBondContact O-CG1 3.41Å; Y433-I436 PolarHBondContact O-N 2.83Å; Y433-I436 VanDerWaalsContact O-N 3.09Å; E434-I436 PolarHBondContact O-N 3.13Å; E434-I436 VanDerWaalsContact O-N 3.17Å; I436-V438 HydrophobicContact CD1-CG2 4Å; I436-V438 HydrophobicContact CG1-CB 4.36Å; I436-V438 HydrophobicContact CG1-CG2 3.96Å; I436-V438 PolarHBondContact O-N 3.48Å; I436-F476 HydrophobicContact CD1-CE2 4.32Å; I436-F476 HydrophobicContact CD1-CZ 3.64Å; I436-L501 HydrophobicContact CD1-CD2 3.66Å; I436-L501 HydrophobicContact CG1-CD2 4.49Å; I436-R504 HydrophobicContact CB-CB 4.47Å; I436-R504 HydrophobicContact CB-CG 3.86Å; I436-R504 HydrophobicContact CD1-CB 4.08Å; I436-R504 HydrophobicContact CD1-CG 3.85Å; I436-R504 HydrophobicContact CG1-CG 4.4Å; I436-R504 HydrophobicContact CG2-CB 4.37Å; I436-R504 HydrophobicContact CG2-CG 4.24Å; I436-Y505 HydrophobicContact CG2-CD2 4.46Å; I436-N508 VanDerWaalsContact C-ND2 3.26Å; I436-N508 VanDerWaalsContact CA-ND2 3.32Å; I436-N508 WeakPolarHBondContact CA-ND2 3.41Å; I436-N508 PolarHBondContact O-ND2 2.73Å
437K90.2Very high93.8Very high127 Ų12736.9 Ų36.955%0.55219%0.188SC*.THydrogen-bonded Turntrans61.629.1177.2-51.1178.6-175.9177.20113.4Y433 E434 D512Y433-K437 PolarHBondContact O-N 3.07Å; E434-K437 PolarHBondContact O-N 3.42Å; K437-D512 IonicContact NZ-OD1 3.36Å; K437-D512 PolarHBondContact NZ-OD1 2.98Å; K437-D512 IonicContact NZ-OD2 2.59Å; K437-D512 PolarHBondContact NZ-OD2 3.46Å
438V93.8Very high93.3Very high10 Ų1038.6 Ų38.66%0.06120%0.199CC..  trans-96.7114.1169.7171.70000107.7Y433 I436 V440 L469 P473 A474Y433-V438 CarbonylContact C-O 3.56Å; Y433-V438 HydrophobicContact CD1-CB 3.8Å; Y433-V438 HydrophobicContact CD1-CG1 3.7Å; Y433-V438 HydrophobicContact CD1-CG2 4.09Å; Y433-V438 HydrophobicContact CE1-CG1 4.49Å; Y433-V438 HydrophobicContact CG-CB 4.26Å; Y433-V438 HydrophobicContact CG-CG1 4.07Å; Y433-V438 WeakPolarHBondContact O-CB 3.43Å; Y433-V438 PolarHBondContact O-N 2.91Å; I436-V438 HydrophobicContact CD1-CG2 4Å; I436-V438 HydrophobicContact CG1-CB 4.36Å; I436-V438 HydrophobicContact CG1-CG2 3.96Å; I436-V438 PolarHBondContact O-N 3.48Å; V438-V440 PolarHBondContact O-N 3.41Å; V438-L469 HydrophobicContact CG1-CB 4.42Å; V438-L469 HydrophobicContact CG1-CD2 4.45Å; V438-P473 HydrophobicContact CG1-CG 3.95Å; V438-A474 HydrophobicContact CG2-CB 3.77Å
439P93.2Very high92.7Very high101 Ų10143.2 Ų43.266%0.65623%0.23SC*.  trans-62.6133.1-178.8-22.533.5000111.9
440V94.8Very high92.1Very high16 Ų1645.1 Ų45.110%0.09724%0.237CC..  trans-111.8129.2174.6-177.40000109.2L430 E434 V438 W442 V445 Y465 L469L430-V440 HydrophobicContact CB-CG1 4.33Å; L430-V440 HydrophobicContact CD2-CG1 4Å; L430-V440 WeakPolarHBondContact O-CG2 3.16Å; E434-V440 HydrophobicContact CG-CB 4.25Å; E434-V440 HydrophobicContact CG-CG2 3.92Å; V438-V440 PolarHBondContact O-N 3.41Å; V440-W442 HydrophobicContact CG1-CD2 4.12Å; V440-W442 HydrophobicContact CG1-CG 4.33Å; V440-W442 HydrophobicContact CG1-CZ2 4.33Å; V440-W442 PolarHBondContact O-N 3.34Å; V440-V445 HydrophobicContact CG1-CG2 4.29Å; V440-Y465 HydrophobicContact CG1-CE1 4.02Å; V440-L469 HydrophobicContact CB-CD1 4.5Å; V440-L469 HydrophobicContact CG1-CD1 4.36Å; V440-L469 HydrophobicContact CG2-CD1 3.95Å
441D93.8Very high91.5Very high57 Ų5748.6 Ų48.631%0.30526%0.259SS..  trans-89.389.2172.9179.62000108.8S443 K444 Y465D441-S443 PolarHBondContact O-N 3.05Å; D441-S443 VanDerWaalsContact O-N 3.14Å; D441-S443 WeakPolarHBondContact OD1-CB 3.32Å; D441-S443 PolarHBondContact OD1-N 2.9Å; D441-S443 PolarHBondContact OD1-OG 2.94Å; D441-K444 HydrophobicContact CB-CD 4.25Å; D441-K444 WeakPolarHBondContact O-CB 3.3Å; D441-K444 PolarHBondContact O-N 3.38Å; D441-K444 WeakPolarHBondContact OD2-CD 3.45Å; D441-K444 WeakPolarHBondContact OD2-CE 3.45Å; D441-K444 IonicContact OD2-NZ 2.88Å; D441-K444 PolarHBondContact OD2-NZ 2.94Å; D441-Y465 WeakPolarHBondContact CB-OH 3.3Å; D441-Y465 PolarHBondContact N-OH 2.85Å
442W91.9Very high91.1Very high31 Ų3158.2 Ų58.212%0.11730%0.301CS..G310 helixtrans-64.3-15.2-176.7-72.3100.5000113.7L427 L430 Q431 E434 V440 K444 V445L427-W442 HydrophobicContact CD2-CZ3 4.35Å; L430-W442 HydrophobicContact CB-CH2 3.84Å; L430-W442 HydrophobicContact CB-CZ2 4.36Å; L430-W442 HydrophobicContact CB-CZ3 4.36Å; Q431-W442 HydrophobicContact CG-CH2 3.9Å; Q431-W442 HydrophobicContact CG-CZ2 4.09Å; E434-W442 VanDerWaalsContact CD-NE1 3.33Å; E434-W442 PolarHBondContact OE1-NE1 3.45Å; V440-W442 HydrophobicContact CG1-CD2 4.12Å; V440-W442 HydrophobicContact CG1-CG 4.33Å; V440-W442 HydrophobicContact CG1-CZ2 4.33Å; V440-W442 PolarHBondContact O-N 3.34Å; W442-K444 PolarHBondContact O-N 2.67Å; W442-V445 HydrophobicContact CD2-CG2 4.45Å; W442-V445 HydrophobicContact CE3-CB 3.86Å; W442-V445 HydrophobicContact CE3-CG1 3.9Å; W442-V445 HydrophobicContact CE3-CG2 3.85Å; W442-V445 HydrophobicContact CZ3-CB 4.33Å; W442-V445 HydrophobicContact CZ3-CG1 3.87Å; W442-V445 HydrophobicContact CZ3-CG2 4.33Å; W442-V445 PolarHBondContact O-N 3.12Å
443S89.6Confident90.7Very high83 Ų8366 Ų6658%0.5834%0.342SS*.G310 helixtrans-66.5-21.1172.479.60000112.9D441D441-S443 PolarHBondContact O-N 3.05Å; D441-S443 VanDerWaalsContact O-N 3.14Å; D441-S443 WeakPolarHBondContact OD1-CB 3.32Å; D441-S443 PolarHBondContact OD1-N 2.9Å; D441-S443 PolarHBondContact OD1-OG 2.94Å
444K91.6Very high90.3Very high126 Ų12667.6 Ų67.655%0.54836%0.358SS..G310 helixtrans-90.3-7.8175.8-66.2175.8-180150.50113.7D441 W442 Y465D441-K444 HydrophobicContact CB-CD 4.25Å; D441-K444 WeakPolarHBondContact O-CB 3.3Å; D441-K444 PolarHBondContact O-N 3.38Å; D441-K444 WeakPolarHBondContact OD2-CD 3.45Å; D441-K444 WeakPolarHBondContact OD2-CE 3.45Å; D441-K444 IonicContact OD2-NZ 2.88Å; D441-K444 PolarHBondContact OD2-NZ 2.94Å; W442-K444 PolarHBondContact O-N 2.67Å; K444-Y465 HydrophobicContact CB-CD1 4.42Å; K444-Y465 HydrophobicContact CB-CE1 4.31Å; K444-Y465 HydrophobicContact CD-CE2 4.42Å
445V94.9Very high90.3Very high12 Ų1267.2 Ų67.27%0.07336%0.361CS..  trans-94.2121.1-171.3-177.90000109.8L427 L430 V440 W442 Y465L427-V445 HydrophobicContact CD2-CG1 3.5Å; L427-V445 VanDerWaalsContact CD2-CG1 3.5Å; L430-V445 HydrophobicContact CD1-CB 4.41Å; L430-V445 HydrophobicContact CD1-CG1 3.7Å; L430-V445 HydrophobicContact CD1-CG2 3.76Å; V440-V445 HydrophobicContact CG1-CG2 4.29Å; W442-V445 HydrophobicContact CD2-CG2 4.45Å; W442-V445 HydrophobicContact CE3-CB 3.86Å; W442-V445 HydrophobicContact CE3-CG1 3.9Å; W442-V445 HydrophobicContact CE3-CG2 3.85Å; W442-V445 HydrophobicContact CZ3-CB 4.33Å; W442-V445 HydrophobicContact CZ3-CG1 3.87Å; W442-V445 HydrophobicContact CZ3-CG2 4.33Å; W442-V445 PolarHBondContact O-N 3.12Å; V445-Y465 HydrophobicContact CG2-CD1 4.04Å; V445-Y465 HydrophobicContact CG2-CE1 4Å
446N94.2Very high90.6Very high32 Ų3268.7 Ų68.717%0.17137%0.373CS..  trans-74135.2172-58.8-81.5000109.4Y450 K458 E461 N462N446-Y450 HydrophobicContact CB-CE1 4.02Å; N446-Y450 PolarHBondContact O-OH 2.65Å; N446-K458 HydrophobicContact CB-CB 3.96Å; N446-K458 HydrophobicContact CB-CD 4.49Å; N446-K458 PolarHBondContact ND2-O 2.92Å; N446-K458 WeakPolarHBondContact OD1-CD 3.17Å; N446-K458 WeakPolarHBondContact OD1-CE 3.41Å; N446-K458 PolarHBondContact OD1-NZ 2.85Å; N446-E461 WeakPolarHBondContact ND2-CB 3.15Å; N446-E461 PolarHBondContact ND2-OE2 3.41Å; N446-N462 WeakPolarHBondContact CB-OD1 3.39Å; N446-N462 PolarHBondContact N-OD1 3.23Å; N446-N462 PolarHBondContact ND2-OD1 2.72Å; N446-N462 PolarHBondContact O-ND2 3.18Å
447K88.1Confident90.8Very high61 Ų6173.8 Ų73.827%0.26540%0.398SS..  trans-118.2149.6-178.5-60.2177.4-174174.60110.9D34 G70D34-K447 HydrophobicContact CB-CD 4.37Å; G70-K447 PolarHBondContact O-NZ 3.36Å
448P85Confident91.1Very high46 Ų4670.6 Ų70.630%0.29938%0.384SS..SBendtrans-65.8158.8172.328.5-35.9000111.6L427 Y450L427-P448 HydrophobicContact CD1-CG 4.3Å; P448-Y450 HydrophobicContact CB-CD2 4.07Å; P448-Y450 HydrophobicContact CB-CE2 3.89Å; P448-Y450 HydrophobicContact CG-CE2 4.43Å
449P84.1Confident91.3Very high98 Ų9872.9 Ų72.964%0.63639%0.393SS*.SBendcis-73.7126.7-0.830-34000111.8
450Y87.3Confident91.5Very high39 Ų3969.7 Ų69.715%0.15337%0.37CS..PPolyproline II helixtrans-73145.3177.8-58.6-71.6000110.9D425 N446 P448 K452 K458 K459D425-Y450 HydrophobicContact CB-CE2 4.34Å; D425-Y450 WeakPolarHBondContact CB-OH 3.44Å; D425-Y450 WeakPolarHBondContact OD2-CE2 3.44Å; D425-Y450 PolarHBondContact OD2-OH 2.87Å; N446-Y450 HydrophobicContact CB-CE1 4.02Å; N446-Y450 PolarHBondContact O-OH 2.65Å; P448-Y450 HydrophobicContact CB-CD2 4.07Å; P448-Y450 HydrophobicContact CB-CE2 3.89Å; P448-Y450 HydrophobicContact CG-CE2 4.43Å; Y450-K452 PolarHBondContact O-N 2.82Å; Y450-K458 HydrophobicContact CD1-CB 3.83Å; Y450-K458 HydrophobicContact CE1-CB 4.23Å; Y450-K459 HydrophobicContact CD2-CG 4.34Å; Y450-K459 HydrophobicContact CE2-CG 4.09Å
451P85.9Confident91.7Very high73 Ų7372.4 Ų72.447%0.47438%0.382SS..PPolyproline II helixtrans-63.8136.617627.4-34.7000110.4L453 A455P451-L453 CarbonylContact O-C 3.56Å; P451-L453 PolarHBondContact O-N 3.47Å; P451-A455 WeakPolarHBondContact O-CA 3.44Å; P451-A455 VanDerWaalsContact O-CB 3.22Å; P451-A455 WeakPolarHBondContact O-CB 3.22Å; P451-A455 PolarHBondContact O-N 2.9Å
452K85.8Confident91.9Very high217 Ų21769.7 Ų69.794%0.94337%0.368SS*.THydrogen-bonded Turntrans-50.9-44.8-179.7-70.7-172.6176.7-174.30112.3Y450Y450-K452 PolarHBondContact O-N 2.82Å
453L87.7Confident92.3Very high164 Ų16468.2 Ų68.286%0.85936%0.362SS*.THydrogen-bonded Turntrans-86.4121.6171.8-166.375000109P451P451-L453 CarbonylContact O-C 3.56Å; P451-L453 PolarHBondContact O-N 3.47Å
454G89.9Confident92.7Very high33 Ų3367.9 Ų67.934%0.3435%0.354SS..THydrogen-bonded Turntrans865.5178.600000115.3N456 M457 K458G454-N456 VanDerWaalsContact C-N 3.27Å; G454-N456 PolarHBondContact O-N 3.5Å; G454-M457 WeakPolarHBondContact O-CB 3.22Å; G454-M457 PolarHBondContact O-N 3.3Å; G454-M457 VanDerWaalsContact O-N 3.07Å; G454-K458 PolarHBondContact O-N 3.2Å; G454-K458 VanDerWaalsContact O-N 3.14Å
455A92.7Very high93Very high27 Ų2763.6 Ų63.622%0.22333%0.334CS..Hα-helixtrans-49.1-48.9174.900000112.1P451 M457 K458 K459P451-A455 WeakPolarHBondContact O-CA 3.44Å; P451-A455 VanDerWaalsContact O-CB 3.22Å; P451-A455 WeakPolarHBondContact O-CB 3.22Å; P451-A455 PolarHBondContact O-N 2.9Å; A455-M457 VanDerWaalsContact C-N 3.31Å; A455-M457 PolarHBondContact O-N 3.35Å; A455-K458 PolarHBondContact O-N 3.07Å; A455-K458 VanDerWaalsContact O-N 3.14Å; A455-K459 WeakPolarHBondContact O-CG 3.29Å; A455-K459 PolarHBondContact O-N 2.65Å; A455-K459 VanDerWaalsContact O-N 3.07Å
456N95.4Very high93.2Very high85 Ų8563 Ų6346%0.45533%0.331SS..Hα-helixtrans-63.7-36.7-178.5-162.158.2000112.8G454 K458 K459 L460 N487G454-N456 VanDerWaalsContact C-N 3.27Å; G454-N456 PolarHBondContact O-N 3.5Å; N456-K458 VanDerWaalsContact C-N 3.3Å; N456-K458 PolarHBondContact O-N 3Å; N456-K459 PolarHBondContact O-N 3.17Å; N456-L460 VanDerWaalsContact O-CB 3.31Å; N456-L460 WeakPolarHBondContact O-CB 3.5Å; N456-L460 PolarHBondContact O-N 3.24Å; N456-N487 PolarHBondContact ND2-OD1 3.11Å; N456-N487 PolarHBondContact OD1-ND2 3.2Å; N456-N487 PolarHBondContact OD1-OD1 3.34Å; N456-N487 VanDerWaalsContact OD1-OD1 3.1Å
457M96.8Very high93.4Very high112 Ų11261.7 Ų61.755%0.55232%0.324SS*.Hα-helixtrans-63.5-38.3176.3-170.8172.470.500111.3G454 A455 L460 E461G454-M457 WeakPolarHBondContact O-CB 3.22Å; G454-M457 PolarHBondContact O-N 3.3Å; G454-M457 VanDerWaalsContact O-N 3.07Å; A455-M457 VanDerWaalsContact C-N 3.31Å; A455-M457 PolarHBondContact O-N 3.35Å; M457-L460 PolarHBondContact O-N 3.3Å; M457-E461 WeakPolarHBondContact O-CG 3.36Å; M457-E461 PolarHBondContact O-N 3.34Å
458K97.1Very high93.9Very high60 Ų6063.6 Ų63.626%0.26133%0.334SS..Hα-helixtrans-67-40.6175.8-65.7-43.8-156.1160.50113.4N446 Y450 G454 A455 N456 E461 N462N446-K458 HydrophobicContact CB-CB 3.96Å; N446-K458 HydrophobicContact CB-CD 4.49Å; N446-K458 PolarHBondContact ND2-O 2.92Å; N446-K458 WeakPolarHBondContact OD1-CD 3.17Å; N446-K458 WeakPolarHBondContact OD1-CE 3.41Å; N446-K458 PolarHBondContact OD1-NZ 2.85Å; Y450-K458 HydrophobicContact CD1-CB 3.83Å; Y450-K458 HydrophobicContact CE1-CB 4.23Å; G454-K458 PolarHBondContact O-N 3.2Å; G454-K458 VanDerWaalsContact O-N 3.14Å; A455-K458 PolarHBondContact O-N 3.07Å; A455-K458 VanDerWaalsContact O-N 3.14Å; N456-K458 VanDerWaalsContact C-N 3.3Å; N456-K458 PolarHBondContact O-N 3Å; K458-E461 WeakPolarHBondContact CD-OE2 3.25Å; K458-E461 IonicContact NZ-OE1 2.93Å; K458-E461 IonicContact NZ-OE2 3.27Å; K458-E461 PolarHBondContact NZ-OE2 3.34Å; K458-E461 PolarHBondContact O-N 3.42Å; K458-N462 PolarHBondContact O-N 3.31Å
459K97.5Very high94.5Very high57 Ų5762 Ų6225%0.24832%0.322CS..Hα-helixtrans-62.7-45.2172.3-64-170.6173-169.70111.4D425 Y450 A455 N456 E461 N462 C463 N487D425-K459 HydrophobicContact CB-CB 3.85Å; D425-K459 HydrophobicContact CB-CD 3.9Å; D425-K459 HydrophobicContact CB-CG 3.56Å; Y450-K459 HydrophobicContact CD2-CG 4.34Å; Y450-K459 HydrophobicContact CE2-CG 4.09Å; A455-K459 WeakPolarHBondContact O-CG 3.29Å; A455-K459 PolarHBondContact O-N 2.65Å; A455-K459 VanDerWaalsContact O-N 3.07Å; N456-K459 PolarHBondContact O-N 3.17Å; K459-E461 PolarHBondContact O-N 3.25Å; K459-N462 WeakPolarHBondContact O-CB 3.45Å; K459-N462 PolarHBondContact O-N 3.17Å; K459-N462 VanDerWaalsContact O-N 3.17Å; K459-C463 PolarHBondContact O-N 3.34Å; K459-C463 PolarHBondContact O-SG 2.88Å; K459-C463 VanDerWaalsContact O-SG 3.39Å; K459-N487 WeakPolarHBondContact CB-ND2 3.36Å
460L98.2Very high95.2Very high34 Ų3457.3 Ų57.318%0.17829%0.292CS..Hα-helixtrans-63.1-39.3178.1-179.460.7000112.9N456 M457 N462 C463 N464 Q484 N487N456-L460 VanDerWaalsContact O-CB 3.31Å; N456-L460 WeakPolarHBondContact O-CB 3.5Å; N456-L460 PolarHBondContact O-N 3.24Å; M457-L460 PolarHBondContact O-N 3.3Å; L460-N462 VanDerWaalsContact C-N 3.3Å; L460-N462 PolarHBondContact O-N 3.28Å; L460-C463 PolarHBondContact O-N 3.4Å; L460-N464 WeakPolarHBondContact O-CB 3.39Å; L460-N464 PolarHBondContact O-N 3.41Å; L460-N464 PolarHBondContact O-ND2 3.42Å; L460-Q484 HydrophobicContact CD1-CB 4.26Å; L460-N487 HydrophobicContact CD1-CB 3.96Å
461E98.4Very high95.7Very high74 Ų7458.9 Ų58.935%0.34630%0.3SS..Hα-helixtrans-55.5-45.4172.3-77.9169.1-164.300111.2N446 M457 K458 K459 N464 Y465N446-E461 WeakPolarHBondContact ND2-CB 3.15Å; N446-E461 PolarHBondContact ND2-OE2 3.41Å; M457-E461 WeakPolarHBondContact O-CG 3.36Å; M457-E461 PolarHBondContact O-N 3.34Å; K458-E461 WeakPolarHBondContact CD-OE2 3.25Å; K458-E461 IonicContact NZ-OE1 2.93Å; K458-E461 IonicContact NZ-OE2 3.27Å; K458-E461 PolarHBondContact NZ-OE2 3.34Å; K458-E461 PolarHBondContact O-N 3.42Å; K459-E461 PolarHBondContact O-N 3.25Å; E461-N464 PolarHBondContact O-N 3.36Å; E461-Y465 PolarHBondContact O-N 3.17Å
462N98.5Very high96.1Very high0 Ų061.9 Ų61.90%031%0.307CS..Hα-helixtrans-64-44.4175.3-65.6-5.3000112.1D425 A426 L430 N446 K458 K459 L460 N464 Y465 A466D425-N462 WeakPolarHBondContact O-CB 3.46Å; D425-N462 PolarHBondContact O-ND2 2.95Å; A426-N462 HydrophobicContact CB-CB 4.36Å; L430-N462 HydrophobicContact CD1-CB 4.45Å; N446-N462 WeakPolarHBondContact CB-OD1 3.39Å; N446-N462 PolarHBondContact N-OD1 3.23Å; N446-N462 PolarHBondContact ND2-OD1 2.72Å; N446-N462 PolarHBondContact O-ND2 3.18Å; K458-N462 PolarHBondContact O-N 3.31Å; K459-N462 WeakPolarHBondContact O-CB 3.45Å; K459-N462 PolarHBondContact O-N 3.17Å; K459-N462 VanDerWaalsContact O-N 3.17Å; L460-N462 VanDerWaalsContact C-N 3.3Å; L460-N462 PolarHBondContact O-N 3.28Å; N462-N464 PolarHBondContact O-N 2.71Å; N462-Y465 WeakPolarHBondContact O-CB 3.45Å; N462-Y465 PolarHBondContact O-N 2.97Å; N462-A466 WeakPolarHBondContact O-CB 2.91Å; N462-A466 PolarHBondContact O-N 2.94Å
463C98.7Very high96.5Very high0 Ų055 Ų550%029%0.285CS..Hα-helixtrans-62.7-41.3178.8-68.10000112.4Q424 A426 K459 L460 Y465 A466 V467 G483 L486 N487Q424-C463 PolarHBondContact O-SG 2.91Å; A426-C463 HydrophobicContact CB-CB 4.44Å; K459-C463 PolarHBondContact O-N 3.34Å; K459-C463 PolarHBondContact O-SG 2.88Å; K459-C463 VanDerWaalsContact O-SG 3.39Å; L460-C463 PolarHBondContact O-N 3.4Å; C463-Y465 VanDerWaalsContact C-N 3.32Å; C463-Y465 PolarHBondContact O-N 3.32Å; C463-A466 PolarHBondContact O-N 3.11Å; C463-V467 WeakPolarHBondContact O-CG2 3.5Å; C463-V467 PolarHBondContact O-N 2.68Å; C463-G483 WeakPolarHBondContact CB-O 3.11Å; C463-L486 HydrophobicContact CB-CB 4.11Å; C463-L486 HydrophobicContact CB-CD1 4.49Å; C463-N487 HydrophobicContact CB-CB 4.38Å
464N98.6Very high96.8Very high75 Ų7547.3 Ų47.340%0.40124%0.244SC..Hα-helixtrans-60.4-44.5173.5-75.1-35.6000110.7L460 E461 N462 A466 V467 E468 G483L460-N464 WeakPolarHBondContact O-CB 3.39Å; L460-N464 PolarHBondContact O-N 3.41Å; L460-N464 PolarHBondContact O-ND2 3.42Å; E461-N464 PolarHBondContact O-N 3.36Å; N462-N464 PolarHBondContact O-N 2.71Å; N464-A466 PolarHBondContact O-N 2.76Å; N464-V467 PolarHBondContact O-N 3.42Å; N464-E468 WeakPolarHBondContact O-CG 3.27Å; N464-E468 PolarHBondContact O-N 2.88Å; N464-G483 WeakPolarHBondContact OD1-CA 3.49Å; N464-G483 PolarHBondContact OD1-N 3.47Å
465Y98.6Very high97Very high37 Ų3753.1 Ų53.115%0.14526%0.261CS..Hα-helixtrans-63.1-41.4176.8-178.6-137.4000112.6L430 V440 D441 K444 V445 E461 N462 C463 V467 E468 L469L430-Y465 HydrophobicContact CD2-CD1 3.95Å; L430-Y465 HydrophobicContact CD2-CE1 4.17Å; V440-Y465 HydrophobicContact CG1-CE1 4.02Å; D441-Y465 WeakPolarHBondContact CB-OH 3.3Å; D441-Y465 PolarHBondContact N-OH 2.85Å; K444-Y465 HydrophobicContact CB-CD1 4.42Å; K444-Y465 HydrophobicContact CB-CE1 4.31Å; K444-Y465 HydrophobicContact CD-CE2 4.42Å; V445-Y465 HydrophobicContact CG2-CD1 4.04Å; V445-Y465 HydrophobicContact CG2-CE1 4Å; E461-Y465 PolarHBondContact O-N 3.17Å; N462-Y465 WeakPolarHBondContact O-CB 3.45Å; N462-Y465 PolarHBondContact O-N 2.97Å; C463-Y465 VanDerWaalsContact C-N 3.32Å; C463-Y465 PolarHBondContact O-N 3.32Å; Y465-V467 VanDerWaalsContact C-N 3.34Å; Y465-V467 PolarHBondContact O-N 3.34Å; Y465-E468 WeakPolarHBondContact O-CB 3.49Å; Y465-E468 PolarHBondContact O-N 3.37Å; Y465-L469 HydrophobicContact CD1-CD1 4.44Å; Y465-L469 HydrophobicContact CD2-CD1 4.49Å; Y465-L469 HydrophobicContact CD2-CG 4.16Å; Y465-L469 HydrophobicContact CE1-CD1 3.94Å; Y465-L469 HydrophobicContact CE2-CD1 3.97Å; Y465-L469 HydrophobicContact CE2-CD2 3.84Å; Y465-L469 HydrophobicContact CE2-CG 3.67Å; Y465-L469 WeakPolarHBondContact O-CG 3.34Å; Y465-L469 PolarHBondContact O-N 2.9Å
466A98.6Very high97.2Very high0 Ų052.8 Ų52.80%025%0.254CS..Hα-helixtrans-62.4-37.9175.900000112.9A426 I429 L430 Y433 N462 C463 N464 G470A426-A466 HydrophobicContact CB-CB 3.73Å; I429-A466 HydrophobicContact CG2-CB 3.88Å; L430-A466 HydrophobicContact CD2-CB 4.12Å; L430-A466 HydrophobicContact CG-CB 4.41Å; Y433-A466 HydrophobicContact CE2-CB 4.23Å; Y433-A466 VanDerWaalsContact CE2-O 3.24Å; Y433-A466 WeakPolarHBondContact CE2-O 3.26Å; Y433-A466 PolarHBondContact OH-O 3.1Å; N462-A466 WeakPolarHBondContact O-CB 2.91Å; N462-A466 PolarHBondContact O-N 2.94Å; C463-A466 PolarHBondContact O-N 3.11Å; N464-A466 PolarHBondContact O-N 2.76Å; A466-G470 PolarHBondContact O-N 3.42Å; A466-G470 VanDerWaalsContact O-N 3.08Å
467V98.6Very high97.2Very high3 Ų352.8 Ų52.82%0.01826%0.261CS..Hα-helixtrans-69-40.8174.2170.10000111.4C463 N464 Y465 G470 K471 L478 I481 L486C463-V467 WeakPolarHBondContact O-CG2 3.5Å; C463-V467 PolarHBondContact O-N 2.68Å; N464-V467 PolarHBondContact O-N 3.42Å; Y465-V467 VanDerWaalsContact C-N 3.34Å; Y465-V467 PolarHBondContact O-N 3.34Å; V467-G470 PolarHBondContact O-N 2.89Å; V467-K471 HydrophobicContact CG1-CD 4.38Å; V467-K471 PolarHBondContact O-N 3.23Å; V467-L478 HydrophobicContact CG1-CD1 4.26Å; V467-I481 WeakPolarHBondContact CG1-O 3.24Å; V467-L486 HydrophobicContact CG2-CD1 3.72Å; V467-L486 HydrophobicContact CG2-CG 4.39Å
468E98.2Very high97.1Very high102 Ų10247.8 Ų47.848%0.47724%0.236SC..Hα-helixtrans-59.3-47.8174.4-75.4-60.4126.300111.3N464 Y465 G470 K471 H472N464-E468 WeakPolarHBondContact O-CG 3.27Å; N464-E468 PolarHBondContact O-N 2.88Å; Y465-E468 WeakPolarHBondContact O-CB 3.49Å; Y465-E468 PolarHBondContact O-N 3.37Å; E468-G470 VanDerWaalsContact C-N 3.26Å; E468-G470 PolarHBondContact O-N 3.41Å; E468-K471 PolarHBondContact O-N 2.75Å; E468-K471 VanDerWaalsContact O-N 3.14Å; E468-H472 CarbonylContact O-C 3.53Å; E468-H472 PolarHBondContact O-N 3.02Å
469L98.4Very high96.9Very high11 Ų1151.2 Ų51.26%0.05826%0.262CS..Hα-helixtrans-58.4-38.4174.7-72.8178.8000112.9L430 Y433 V438 V440 Y465 H472 A474L430-L469 HydrophobicContact CD2-CD1 3.76Å; Y433-L469 HydrophobicContact CD2-CB 4.18Å; Y433-L469 HydrophobicContact CD2-CD1 4.12Å; Y433-L469 HydrophobicContact CE1-CB 4.44Å; Y433-L469 HydrophobicContact CE2-CB 3.95Å; V438-L469 HydrophobicContact CG1-CB 4.42Å; V438-L469 HydrophobicContact CG1-CD2 4.45Å; V440-L469 HydrophobicContact CB-CD1 4.5Å; V440-L469 HydrophobicContact CG1-CD1 4.36Å; V440-L469 HydrophobicContact CG2-CD1 3.95Å; Y465-L469 HydrophobicContact CD1-CD1 4.44Å; Y465-L469 HydrophobicContact CD2-CD1 4.49Å; Y465-L469 HydrophobicContact CD2-CG 4.16Å; Y465-L469 HydrophobicContact CE1-CD1 3.94Å; Y465-L469 HydrophobicContact CE2-CD1 3.97Å; Y465-L469 HydrophobicContact CE2-CD2 3.84Å; Y465-L469 HydrophobicContact CE2-CG 3.67Å; Y465-L469 WeakPolarHBondContact O-CG 3.34Å; Y465-L469 PolarHBondContact O-N 2.9Å; L469-H472 VanDerWaalsContact CA-O 3.26Å; L469-H472 WeakPolarHBondContact CA-O 3.47Å; L469-H472 CarbonylContact O-C 3.59Å; L469-H472 PolarHBondContact O-N 2.84Å; L469-A474 VanDerWaalsContact O-CB 3.25Å; L469-A474 WeakPolarHBondContact O-CB 3.42Å; L469-A474 PolarHBondContact O-N 2.77Å
470G97.9Very high96.7Very high0 Ų051.7 Ų51.70%028%0.283CS..Hα-helixtrans-60.9-44.8175.300000112.6Y433 A466 V467 E468 A474 K475 F476Y433-G470 WeakPolarHBondContact OH-CA 3.4Å; Y433-G470 PolarHBondContact OH-N 3.1Å; Y433-G470 VanDerWaalsContact OH-N 3.09Å; A466-G470 PolarHBondContact O-N 3.42Å; A466-G470 VanDerWaalsContact O-N 3.08Å; V467-G470 PolarHBondContact O-N 2.89Å; E468-G470 VanDerWaalsContact C-N 3.26Å; E468-G470 PolarHBondContact O-N 3.41Å; G470-A474 CarbonylContact O-C 3.25Å; G470-A474 WeakPolarHBondContact O-CB 3.46Å; G470-K475 PolarHBondContact O-N 3.36Å; G470-K475 VanDerWaalsContact O-N 3.1Å; G470-F476 WeakPolarHBondContact O-CB 3.49Å; G470-F476 PolarHBondContact O-N 3.17Å
471K97.5Very high96.7Very high73 Ų7350.6 Ų50.632%0.31728%0.277SS..Hα-helixtrans-70.3-47.3174.6-65.9172.2-174.2167.60110.9V467 E468 K475 L478V467-K471 HydrophobicContact CG1-CD 4.38Å; V467-K471 PolarHBondContact O-N 3.23Å; E468-K471 PolarHBondContact O-N 2.75Å; E468-K471 VanDerWaalsContact O-N 3.14Å; K471-K475 WeakPolarHBondContact O-CA 3.31Å; K471-K475 PolarHBondContact O-N 3.05Å; K471-L478 HydrophobicContact CG-CB 4.21Å; K471-L478 HydrophobicContact CG-CD1 4.25Å
472H95.8Very high96.6Very high135 Ų13548.3 Ų48.363%0.62527%0.273SS*.THydrogen-bonded Turntrans-143.7115.5-175.5-57.3-59.1000110.8E468 L469E468-H472 CarbonylContact O-C 3.53Å; E468-H472 PolarHBondContact O-N 3.02Å; L469-H472 VanDerWaalsContact CA-O 3.26Å; L469-H472 WeakPolarHBondContact CA-O 3.47Å; L469-H472 CarbonylContact O-C 3.59Å; L469-H472 PolarHBondContact O-N 2.84Å
473P94.1Very high96.6Very high73 Ų7348.4 Ų48.447%0.47427%0.274SS..THydrogen-bonded Turncis-97.7-113.937.4-36.1000115V438 K475V438-P473 HydrophobicContact CG1-CG 3.95Å; P473-K475 PolarHBondContact O-N 3.12Å
474A94.1Very high96.6Very high2 Ų252.3 Ų52.32%0.01729%0.292CS..THydrogen-bonded Turntrans-67.3-22.1-171.700000113.6Y433 V438 L469 G470 F476 R504Y433-A474 HydrophobicContact CD1-CB 4.48Å; Y433-A474 HydrophobicContact CE1-CB 3.99Å; V438-A474 HydrophobicContact CG2-CB 3.77Å; L469-A474 VanDerWaalsContact O-CB 3.25Å; L469-A474 WeakPolarHBondContact O-CB 3.42Å; L469-A474 PolarHBondContact O-N 2.77Å; G470-A474 CarbonylContact O-C 3.25Å; G470-A474 WeakPolarHBondContact O-CB 3.46Å; A474-F476 VanDerWaalsContact C-N 3.28Å; A474-F476 HydrophobicContact CB-CD1 4.22Å; A474-F476 HydrophobicContact CB-CD2 4.22Å; A474-F476 HydrophobicContact CB-CE1 4.17Å; A474-F476 HydrophobicContact CB-CE2 4.17Å; A474-F476 HydrophobicContact CB-CG 4.25Å; A474-F476 HydrophobicContact CB-CZ 4.15Å; A474-F476 PolarHBondContact O-N 3.43Å; A474-R504 PolarHBondContact O-NH2 3.02Å
475K93.6Very high96.6Very high156 Ų15650.6 Ų50.668%0.67828%0.283SS*.  trans59.136178.8-59.2178.2-176.3-174.20113.1G470 K471 P473G470-K475 PolarHBondContact O-N 3.36Å; G470-K475 VanDerWaalsContact O-N 3.1Å; K471-K475 WeakPolarHBondContact O-CA 3.31Å; K471-K475 PolarHBondContact O-N 3.05Å; P473-K475 PolarHBondContact O-N 3.12Å
476F96.4Very high96.5Very high19 Ų1949 Ų498%0.08328%0.277CS..  trans-71.6149169.8-65.7-16.8000110.9Y433 I436 G470 A474 L478 L497 Q500 L501 R504Y433-F476 HydrophobicContact CE1-CD2 4.36Å; Y433-F476 AromaticContact CE1-CE2 3.79Å; Y433-F476 HydrophobicContact CE1-CE2 3.79Å; I436-F476 HydrophobicContact CD1-CE2 4.32Å; I436-F476 HydrophobicContact CD1-CZ 3.64Å; G470-F476 WeakPolarHBondContact O-CB 3.49Å; G470-F476 PolarHBondContact O-N 3.17Å; A474-F476 VanDerWaalsContact C-N 3.28Å; A474-F476 HydrophobicContact CB-CD1 4.22Å; A474-F476 HydrophobicContact CB-CD2 4.22Å; A474-F476 HydrophobicContact CB-CE1 4.17Å; A474-F476 HydrophobicContact CB-CE2 4.17Å; A474-F476 HydrophobicContact CB-CG 4.25Å; A474-F476 HydrophobicContact CB-CZ 4.15Å; A474-F476 PolarHBondContact O-N 3.43Å; F476-L478 HydrophobicContact CB-CD1 4.31Å; F476-L478 HydrophobicContact CB-CD2 4.07Å; F476-L478 HydrophobicContact CB-CG 3.85Å; F476-L478 PolarHBondContact O-N 3.33Å; F476-L497 HydrophobicContact CD2-CD1 3.82Å; F476-L497 HydrophobicContact CE2-CD1 4.17Å; F476-Q500 HydrophobicContact CB-CB 4.49Å; F476-Q500 VanDerWaalsContact CB-OE1 3.32Å; F476-Q500 HydrophobicContact CD1-CB 4.01Å; F476-Q500 HydrophobicContact CD2-CB 3.97Å; F476-Q500 HydrophobicContact CE1-CB 4.15Å; F476-Q500 HydrophobicContact CE2-CB 4.11Å; F476-Q500 HydrophobicContact CG-CB 3.91Å; F476-Q500 HydrophobicContact CZ-CB 4.19Å; F476-Q500 WeakPolarHBondContact CZ-O 3.44Å; F476-L501 HydrophobicContact CE2-CD2 3.68Å; F476-L501 HydrophobicContact CE2-CG 3.96Å; F476-L501 HydrophobicContact CZ-CD2 4.06Å; F476-L501 HydrophobicContact CZ-CG 4.44Å; F476-R504 HydrophobicContact CE1-CB 3.99Å; F476-R504 HydrophobicContact CZ-CB 4.11Å
477S95.1Very high96.5Very high85 Ų8549 Ų4959%0.59428%0.277SS*.  trans-83.894.7171-171.20000108.2Q500S477-Q500 PolarHBondContact O-NE2 3.06Å
478L95.6Very high96.4Very high8 Ų853.6 Ų53.64%0.04230%0.302CS..  trans-11038.3-179.2-59.7-176.7000111.4V467 K471 F476 G480 I481 L497V467-L478 HydrophobicContact CG1-CD1 4.26Å; K471-L478 HydrophobicContact CG-CB 4.21Å; K471-L478 HydrophobicContact CG-CD1 4.25Å; F476-L478 HydrophobicContact CB-CD1 4.31Å; F476-L478 HydrophobicContact CB-CD2 4.07Å; F476-L478 HydrophobicContact CB-CG 3.85Å; F476-L478 PolarHBondContact O-N 3.33Å; L478-G480 PolarHBondContact O-N 3.3Å; L478-I481 HydrophobicContact CB-CB 4.19Å; L478-I481 HydrophobicContact CD2-CD1 3.89Å; L478-I481 PolarHBondContact O-N 2.77Å; L478-I481 VanDerWaalsContact O-N 3.13Å; L478-L497 HydrophobicContact CD1-CD1 4.24Å; L478-L497 HydrophobicContact CD2-CB 4.49Å; L478-L497 HydrophobicContact CD2-CD1 3.89Å
479V92.1Very high96.3Very high132 Ų13249.2 Ų49.280%0.828%0.284SS*.THydrogen-bonded Turntrans-63.7120.3178.5-178.40000109I481V479-I481 VanDerWaalsContact C-N 3.28Å; V479-I481 PolarHBondContact O-N 2.99Å
480G94.5Very high96.2Very high67 Ų6751.7 Ų51.769%0.69130%0.298SS*.THydrogen-bonded Turntrans77.65.3-177.900000115.2L478L478-G480 PolarHBondContact O-N 3.3Å
481I97.4Very high96Very high11 Ų1157 Ų576%0.05632%0.322CS..  trans-103.7117174.7-56.2174.3000108.6V467 L478 V479 L493 A496V467-I481 WeakPolarHBondContact CG1-O 3.24Å; L478-I481 HydrophobicContact CB-CB 4.19Å; L478-I481 HydrophobicContact CD2-CD1 3.89Å; L478-I481 PolarHBondContact O-N 2.77Å; L478-I481 VanDerWaalsContact O-N 3.13Å; V479-I481 VanDerWaalsContact C-N 3.28Å; V479-I481 PolarHBondContact O-N 2.99Å; I481-L493 HydrophobicContact CG1-CB 4.19Å; I481-L493 HydrophobicContact CG1-CD2 3.92Å; I481-L493 HydrophobicContact CG1-CG 4.48Å; I481-L493 HydrophobicContact CG2-CB 4.45Å; I481-A496 HydrophobicContact CD1-CB 3.88Å
482G97.2Very high95.9Very high25 Ų2558.6 Ų58.626%0.25834%0.338SS..  trans-113.3169.8174.400000112.5Q484 D485G482-Q484 PolarHBondContact O-N 2.9Å; G482-D485 WeakPolarHBondContact CA-OD2 3.41Å; G482-D485 PolarHBondContact N-OD2 3.42Å; G482-D485 PolarHBondContact O-N 2.86Å
483G98.2Very high96Very high2 Ų254.1 Ų54.12%0.02132%0.319CS..Hα-helixtrans-65.3-27.8178.300000112.9C463 N464 D485 L486 N487C463-G483 WeakPolarHBondContact CB-O 3.11Å; N464-G483 WeakPolarHBondContact OD1-CA 3.49Å; N464-G483 PolarHBondContact OD1-N 3.47Å; G483-D485 VanDerWaalsContact C-N 3.32Å; G483-D485 PolarHBondContact O-N 3.46Å; G483-L486 PolarHBondContact O-N 3.2Å; G483-N487 WeakPolarHBondContact O-CB 3.41Å; G483-N487 PolarHBondContact O-N 3.43Å
484Q98.4Very high96.2Very high82 Ų8250.7 Ų50.738%0.38330%0.297SS..Hα-helixtrans-61.4-40.7174.9-169.962.64600111.6L460 G482 L486 N487 D488L460-Q484 HydrophobicContact CD1-CB 4.26Å; G482-Q484 PolarHBondContact O-N 2.9Å; Q484-L486 VanDerWaalsContact C-N 3.31Å; Q484-L486 PolarHBondContact O-N 2.96Å; Q484-N487 PolarHBondContact O-N 2.96Å; Q484-N487 VanDerWaalsContact O-N 3.17Å; Q484-D488 WeakPolarHBondContact CG-OD2 3.47Å; Q484-D488 VanDerWaalsContact NE2-CG 3.25Å; Q484-D488 PolarHBondContact NE2-OD1 3.03Å; Q484-D488 PolarHBondContact NE2-OD2 2.9Å; Q484-D488 VanDerWaalsContact NE2-OD2 3.15Å; Q484-D488 WeakPolarHBondContact O-CB 3.44Å; Q484-D488 VanDerWaalsContact O-CG 3.3Å; Q484-D488 PolarHBondContact O-N 3.38Å
485D98.1Very high96.3Very high40 Ų4051.7 Ų51.721%0.21430%0.301CS..Hα-helixtrans-62.4-38.8-179.8-57-62.3000112.2G482 G483 G489 N490 L493G482-D485 WeakPolarHBondContact CA-OD2 3.41Å; G482-D485 PolarHBondContact N-OD2 3.42Å; G482-D485 PolarHBondContact O-N 2.86Å; G483-D485 VanDerWaalsContact C-N 3.32Å; G483-D485 PolarHBondContact O-N 3.46Å; D485-G489 PolarHBondContact O-N 2.78Å; D485-N490 HydrophobicContact CB-CB 4.22Å; D485-N490 VanDerWaalsContact O-CB 3.27Å; D485-N490 WeakPolarHBondContact O-CB 3.13Å; D485-N490 PolarHBondContact O-N 3.03Å; D485-L493 HydrophobicContact CB-CB 4.11Å; D485-L493 HydrophobicContact CB-CD1 3.63Å; D485-L493 WeakPolarHBondContact OD1-CD1 3.43Å
486L97.9Very high96.5Very high2 Ų245.9 Ų45.91%0.0128%0.282CS..Hα-helixtrans-70.2-43.7174.8-58-179000111.2I429 C463 V467 G483 Q484 D488 G489 T494 L497I429-L486 HydrophobicContact CD1-CD1 4.1Å; C463-L486 HydrophobicContact CB-CB 4.11Å; C463-L486 HydrophobicContact CB-CD1 4.49Å; V467-L486 HydrophobicContact CG2-CD1 3.72Å; V467-L486 HydrophobicContact CG2-CG 4.39Å; G483-L486 PolarHBondContact O-N 3.2Å; Q484-L486 VanDerWaalsContact C-N 3.31Å; Q484-L486 PolarHBondContact O-N 2.96Å; L486-D488 VanDerWaalsContact C-N 3.31Å; L486-D488 PolarHBondContact O-N 3.39Å; L486-G489 PolarHBondContact O-N 3.07Å; L486-T494 HydrophobicContact CD2-CG2 4.49Å; L486-L497 HydrophobicContact CD1-CD2 3.69Å; L486-L497 HydrophobicContact CD2-CD2 3.98Å; L486-L497 HydrophobicContact CG-CD2 4.47Å
487N98Very high96.6Very high2 Ų245 Ų451%0.01128%0.278CS..Hα-helixtrans-65.8-33.6-179.2-177.8-131000112.6Q424 N456 K459 L460 C463 G483 Q484 G489Q424-N487 WeakPolarHBondContact CG-O 3.45Å; Q424-N487 PolarHBondContact NE2-O 3Å; Q424-N487 WeakPolarHBondContact O-CA 3.41Å; Q424-N487 PolarHBondContact O-ND2 2.88Å; N456-N487 PolarHBondContact ND2-OD1 3.11Å; N456-N487 PolarHBondContact OD1-ND2 3.2Å; N456-N487 PolarHBondContact OD1-OD1 3.34Å; N456-N487 VanDerWaalsContact OD1-OD1 3.1Å; K459-N487 WeakPolarHBondContact CB-ND2 3.36Å; L460-N487 HydrophobicContact CD1-CB 3.96Å; C463-N487 HydrophobicContact CB-CB 4.38Å; G483-N487 WeakPolarHBondContact O-CB 3.41Å; G483-N487 PolarHBondContact O-N 3.43Å; Q484-N487 PolarHBondContact O-N 2.96Å; Q484-N487 VanDerWaalsContact O-N 3.17Å; N487-G489 PolarHBondContact O-N 3.32Å
488D96.7Very high96.7Very high98 Ų9840.9 Ų40.952%0.52425%0.25SC..THydrogen-bonded Turntrans-76.9-10.4173.3-68.2-20.2000112.6Q484 L486Q484-D488 WeakPolarHBondContact CG-OD2 3.47Å; Q484-D488 VanDerWaalsContact NE2-CG 3.25Å; Q484-D488 PolarHBondContact NE2-OD1 3.03Å; Q484-D488 PolarHBondContact NE2-OD2 2.9Å; Q484-D488 VanDerWaalsContact NE2-OD2 3.15Å; Q484-D488 WeakPolarHBondContact O-CB 3.44Å; Q484-D488 VanDerWaalsContact O-CG 3.3Å; Q484-D488 PolarHBondContact O-N 3.38Å; L486-D488 VanDerWaalsContact C-N 3.31Å; L486-D488 PolarHBondContact O-N 3.39Å
489G94.8Very high96.7Very high11 Ų1142.2 Ų42.211%0.11325%0.254CS..THydrogen-bonded Turntrans7131.9-176.600000113.2D485 L486 N487 Q491D485-G489 PolarHBondContact O-N 2.78Å; L486-G489 PolarHBondContact O-N 3.07Å; N487-G489 PolarHBondContact O-N 3.32Å; G489-Q491 PolarHBondContact O-N 2.92Å; G489-Q491 VanDerWaalsContact O-N 3.09Å
490N96.4Very high96.9Very high63 Ų6337.8 Ų37.834%0.33723%0.225SC..  trans-58.9116.5178-177.4-60.9000110.2D485 T492 L493 T494D485-N490 HydrophobicContact CB-CB 4.22Å; D485-N490 VanDerWaalsContact O-CB 3.27Å; D485-N490 WeakPolarHBondContact O-CB 3.13Å; D485-N490 PolarHBondContact O-N 3.03Å; N490-T492 PolarHBondContact O-N 2.89Å; N490-T492 PolarHBondContact OD1-N 3.4Å; N490-L493 HydrophobicContact CB-CB 4.37Å; N490-L493 WeakPolarHBondContact OD1-CG 3.48Å; N490-L493 PolarHBondContact OD1-N 3.46Å; N490-L493 VanDerWaalsContact OD1-N 3.09Å; N490-T494 WeakPolarHBondContact O-CB 3.4Å; N490-T494 PolarHBondContact O-N 3.14Å; N490-T494 PolarHBondContact O-OG1 2.87Å
491Q94.6Very high97.1Very high112 Ų11234.6 Ų34.652%0.52319%0.192SC..Hα-helixtrans-60.9-49.9-170.4-60.1-170.22.100113Y420 G489 L493 L495Y420-Q491 HydrophobicContact CD1-CB 4.31Å; Y420-Q491 HydrophobicContact CD1-CG 4.16Å; Y420-Q491 HydrophobicContact CD2-CG 3.78Å; Y420-Q491 HydrophobicContact CE1-CB 3.73Å; Y420-Q491 HydrophobicContact CE1-CG 3.92Å; Y420-Q491 HydrophobicContact CE2-CB 4.05Å; Y420-Q491 HydrophobicContact CE2-CG 3.5Å; Y420-Q491 HydrophobicContact CG-CG 4.08Å; G489-Q491 PolarHBondContact O-N 2.92Å; G489-Q491 VanDerWaalsContact O-N 3.09Å; Q491-L493 PolarHBondContact O-N 3.22Å; Q491-L495 WeakPolarHBondContact O-CB 2.96Å; Q491-L495 VanDerWaalsContact O-CG 3.27Å; Q491-L495 WeakPolarHBondContact O-CG 3.32Å; Q491-L495 PolarHBondContact O-N 3.07Å
492T96.1Very high97Very high106 Ų10634.2 Ų34.265%0.6519%0.19SC*.Hα-helixtrans-64.5-45.1-174.9-62.50000111.5N490 A496N490-T492 PolarHBondContact O-N 2.89Å; N490-T492 PolarHBondContact OD1-N 3.4Å; T492-A496 WeakPolarHBondContact O-CB 3.33Å; T492-A496 PolarHBondContact O-N 2.9Å
493L97.7Very high96.8Very high41 Ų4137.3 Ų37.322%0.21519%0.194CC..Hα-helixtrans-76.7-34.8-175.3-57.5-179.9000111.6I481 D485 N490 Q491 A496 L497I481-L493 HydrophobicContact CG1-CB 4.19Å; I481-L493 HydrophobicContact CG1-CD2 3.92Å; I481-L493 HydrophobicContact CG1-CG 4.48Å; I481-L493 HydrophobicContact CG2-CB 4.45Å; D485-L493 HydrophobicContact CB-CB 4.11Å; D485-L493 HydrophobicContact CB-CD1 3.63Å; D485-L493 WeakPolarHBondContact OD1-CD1 3.43Å; N490-L493 HydrophobicContact CB-CB 4.37Å; N490-L493 WeakPolarHBondContact OD1-CG 3.48Å; N490-L493 PolarHBondContact OD1-N 3.46Å; N490-L493 VanDerWaalsContact OD1-N 3.09Å; Q491-L493 PolarHBondContact O-N 3.22Å; L493-A496 PolarHBondContact O-N 3.04Å; L493-L497 PolarHBondContact O-N 3.32Å
494T97.7Very high96.5Very high1 Ų140.4 Ų40.41%0.00621%0.205CC..Hα-helixtrans-64.2-48.2172.9-58.30000111Y420 L423 L486 N490 A496 L497 V498Y420-T494 HydrophobicContact CD1-CG2 4.17Å; Y420-T494 HydrophobicContact CE1-CG2 4.47Å; L423-T494 HydrophobicContact CD1-CG2 3.88Å; L486-T494 HydrophobicContact CD2-CG2 4.49Å; N490-T494 WeakPolarHBondContact O-CB 3.4Å; N490-T494 PolarHBondContact O-N 3.14Å; N490-T494 PolarHBondContact O-OG1 2.87Å; T494-A496 VanDerWaalsContact C-N 3.29Å; T494-A496 PolarHBondContact O-N 2.92Å; T494-L497 PolarHBondContact O-N 2.69Å; T494-L497 VanDerWaalsContact O-N 3.16Å; T494-V498 HydrophobicContact CG2-CG2 4.31Å; T494-V498 WeakPolarHBondContact O-CG2 3.27Å; T494-V498 PolarHBondContact O-N 3.15Å
495L96.8Very high96.2Very high23 Ų2337.9 Ų37.912%0.1219%0.192CC..Hα-helixtrans-60.1-37.1175.4-73.9176000112.7E400 F403 L419 Y420 Q491 L497 V498 W499E400-L495 HydrophobicContact CG-CD1 4.36Å; E400-L495 HydrophobicContact CG-CD2 4Å; F403-L495 HydrophobicContact CD2-CD2 3.58Å; F403-L495 HydrophobicContact CE2-CD2 3.79Å; L419-L495 HydrophobicContact CD2-CD2 3.55Å; L419-L495 HydrophobicContact CD2-CG 4.45Å; Y420-L495 HydrophobicContact CE1-CG 4.16Å; Y420-L495 VanDerWaalsContact OH-CD1 3.26Å; Y420-L495 WeakPolarHBondContact OH-CD1 3.44Å; Y420-L495 WeakPolarHBondContact OH-CG 3.1Å; Q491-L495 WeakPolarHBondContact O-CB 2.96Å; Q491-L495 VanDerWaalsContact O-CG 3.27Å; Q491-L495 WeakPolarHBondContact O-CG 3.32Å; Q491-L495 PolarHBondContact O-N 3.07Å; L495-L497 VanDerWaalsContact C-N 3.32Å; L495-L497 PolarHBondContact O-N 3.29Å; L495-V498 PolarHBondContact O-N 3.43Å; L495-W499 VanDerWaalsContact O-CB 3.29Å; L495-W499 WeakPolarHBondContact O-CB 3.4Å; L495-W499 PolarHBondContact O-N 2.63Å
496A96.9Very high95.7Very high33 Ų3336.4 Ų36.427%0.27319%0.185SC..Hα-helixtrans-62.8-36.9177.100000112.8I481 T492 L493 T494 Q500I481-A496 HydrophobicContact CD1-CB 3.88Å; T492-A496 WeakPolarHBondContact O-CB 3.33Å; T492-A496 PolarHBondContact O-N 2.9Å; L493-A496 PolarHBondContact O-N 3.04Å; T494-A496 VanDerWaalsContact C-N 3.29Å; T494-A496 PolarHBondContact O-N 2.92Å; A496-Q500 WeakPolarHBondContact O-CG 3.42Å; A496-Q500 PolarHBondContact O-N 3.19Å; A496-Q500 PolarHBondContact O-NE2 3.16Å
497L98.1Very high95.2Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-73.6-48174.1175.458.4000111.7I429 F476 L478 L486 L493 T494 L495 W499 Q500 L501I429-L497 HydrophobicContact CD1-CD2 4.12Å; I429-L497 HydrophobicContact CG2-CD2 4.18Å; F476-L497 HydrophobicContact CD2-CD1 3.82Å; F476-L497 HydrophobicContact CE2-CD1 4.17Å; L478-L497 HydrophobicContact CD1-CD1 4.24Å; L478-L497 HydrophobicContact CD2-CB 4.49Å; L478-L497 HydrophobicContact CD2-CD1 3.89Å; L486-L497 HydrophobicContact CD1-CD2 3.69Å; L486-L497 HydrophobicContact CD2-CD2 3.98Å; L486-L497 HydrophobicContact CG-CD2 4.47Å; L493-L497 PolarHBondContact O-N 3.32Å; T494-L497 PolarHBondContact O-N 2.69Å; T494-L497 VanDerWaalsContact O-N 3.16Å; L495-L497 VanDerWaalsContact C-N 3.32Å; L495-L497 PolarHBondContact O-N 3.29Å; L497-W499 VanDerWaalsContact C-N 3.28Å; L497-W499 PolarHBondContact O-N 2.88Å; L497-Q500 PolarHBondContact O-N 3.43Å; L497-L501 HydrophobicContact CD1-CG 4.46Å; L497-L501 HydrophobicContact CG-CD1 4.26Å; L497-L501 PolarHBondContact O-N 3.13Å
498V97.8Very high94.6Very high0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-58.2-41.2179.8173.40000111.3F403 W406 M407 L423 T494 L495 Q500 L501 M502F403-V498 HydrophobicContact CB-CG1 3.71Å; F403-V498 HydrophobicContact CD1-CG1 3.95Å; F403-V498 HydrophobicContact CD2-CG1 3.8Å; F403-V498 HydrophobicContact CE2-CG1 4.39Å; F403-V498 HydrophobicContact CG-CG1 3.56Å; W406-V498 HydrophobicContact CZ3-CG1 4.29Å; M407-V498 HydrophobicContact SD-CG1 4.44Å; L423-V498 HydrophobicContact CD1-CG2 3.91Å; T494-V498 HydrophobicContact CG2-CG2 4.31Å; T494-V498 WeakPolarHBondContact O-CG2 3.27Å; T494-V498 PolarHBondContact O-N 3.15Å; L495-V498 PolarHBondContact O-N 3.43Å; V498-Q500 PolarHBondContact O-N 3.2Å; V498-L501 WeakPolarHBondContact O-CB 3.28Å; V498-L501 PolarHBondContact O-N 3.24Å; V498-M502 PolarHBondContact O-N 3.03Å
499W96.1Very high93.5Very high36 Ų3635.3 Ų35.314%0.13618%0.18CC..Hα-helixtrans-59.5-43.4173.4167.7-120.4000112.7F403 L495 L497 L501 M502 R503 K613 M616 T617F403-W499 HydrophobicContact CE1-CE3 4.04Å; F403-W499 HydrophobicContact CE2-CB 4.5Å; F403-W499 HydrophobicContact CZ-CB 3.88Å; F403-W499 HydrophobicContact CZ-CE3 4.03Å; L495-W499 VanDerWaalsContact O-CB 3.29Å; L495-W499 WeakPolarHBondContact O-CB 3.4Å; L495-W499 PolarHBondContact O-N 2.63Å; L497-W499 VanDerWaalsContact C-N 3.28Å; L497-W499 PolarHBondContact O-N 2.88Å; W499-L501 VanDerWaalsContact C-N 3.32Å; W499-L501 PolarHBondContact O-N 3.29Å; W499-M502 PolarHBondContact O-N 3.45Å; W499-R503 HydrophobicContact CH2-CB 4.29Å; W499-R503 HydrophobicContact CZ2-CB 4.14Å; W499-R503 HydrophobicContact CZ2-CG 4.37Å; W499-R503 VanDerWaalsContact O-CB 3.29Å; W499-R503 WeakPolarHBondContact O-CB 3.22Å; W499-R503 PolarHBondContact O-N 3.28Å; W499-K613 HydrophobicContact CD2-CB 4.36Å; W499-K613 HydrophobicContact CD2-CD 3.6Å; W499-K613 HydrophobicContact CD2-CG 4.03Å; W499-K613 HydrophobicContact CE3-CB 4.17Å; W499-K613 HydrophobicContact CE3-CD 3.98Å; W499-K613 HydrophobicContact CE3-CG 4.35Å; W499-K613 HydrophobicContact CG-CD 3.95Å; W499-K613 HydrophobicContact CH2-CB 3.41Å; W499-K613 VanDerWaalsContact CH2-CB 3.41Å; W499-K613 HydrophobicContact CH2-CD 4.4Å; W499-K613 HydrophobicContact CH2-CG 3.87Å; W499-K613 WeakPolarHBondContact CH2-O 3.46Å; W499-K613 HydrophobicContact CZ2-CB 3.63Å; W499-K613 HydrophobicContact CZ2-CD 4.07Å; W499-K613 HydrophobicContact CZ2-CG 3.51Å; W499-K613 HydrophobicContact CZ3-CB 3.72Å; W499-K613 HydrophobicContact CZ3-CD 4.37Å; W499-K613 HydrophobicContact CZ3-CG 4.28Å; W499-M616 HydrophobicContact CH2-CE 3.47Å; W499-M616 VanDerWaalsContact CH2-CE 3.47Å; W499-M616 HydrophobicContact CZ2-CE 4.01Å; W499-M616 HydrophobicContact CZ3-CE 4.44Å; W499-T617 HydrophobicContact CH2-CG2 4.27Å; W499-T617 HydrophobicContact CZ3-CG2 4.12Å
500Q96.3Very high92.6Very high39 Ų3935.1 Ų35.118%0.18218%0.177CC..Hα-helixtrans-66.6-35.6179-73-175.688.800112F476 S477 A496 L497 V498 R504F476-Q500 HydrophobicContact CB-CB 4.49Å; F476-Q500 VanDerWaalsContact CB-OE1 3.32Å; F476-Q500 HydrophobicContact CD1-CB 4.01Å; F476-Q500 HydrophobicContact CD2-CB 3.97Å; F476-Q500 HydrophobicContact CE1-CB 4.15Å; F476-Q500 HydrophobicContact CE2-CB 4.11Å; F476-Q500 HydrophobicContact CG-CB 3.91Å; F476-Q500 HydrophobicContact CZ-CB 4.19Å; F476-Q500 WeakPolarHBondContact CZ-O 3.44Å; S477-Q500 PolarHBondContact O-NE2 3.06Å; A496-Q500 WeakPolarHBondContact O-CG 3.42Å; A496-Q500 PolarHBondContact O-N 3.19Å; A496-Q500 PolarHBondContact O-NE2 3.16Å; L497-Q500 PolarHBondContact O-N 3.43Å; V498-Q500 PolarHBondContact O-N 3.2Å; Q500-R504 WeakPolarHBondContact O-CB 3.5Å; Q500-R504 PolarHBondContact O-N 3.38Å
501L97.3Very high91.3Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-61.7-52.6171.2-69.1165.5000111.2W406 I429 L432 Y433 I436 F476 L497 V498 W499 R503 R504 Y505W406-L501 HydrophobicContact CH2-CB 3.91Å; W406-L501 HydrophobicContact CZ3-CB 4.42Å; I429-L501 HydrophobicContact CG2-CD1 4.13Å; L432-L501 HydrophobicContact CB-CD1 4.26Å; L432-L501 HydrophobicContact CB-CD2 4.4Å; L432-L501 HydrophobicContact CD1-CD1 4.11Å; Y433-L501 HydrophobicContact CD1-CD2 3.84Å; Y433-L501 HydrophobicContact CE1-CD2 3.7Å; Y433-L501 HydrophobicContact CG-CD2 4.37Å; I436-L501 HydrophobicContact CD1-CD2 3.66Å; I436-L501 HydrophobicContact CG1-CD2 4.49Å; F476-L501 HydrophobicContact CE2-CD2 3.68Å; F476-L501 HydrophobicContact CE2-CG 3.96Å; F476-L501 HydrophobicContact CZ-CD2 4.06Å; F476-L501 HydrophobicContact CZ-CG 4.44Å; L497-L501 HydrophobicContact CD1-CG 4.46Å; L497-L501 HydrophobicContact CG-CD1 4.26Å; L497-L501 PolarHBondContact O-N 3.13Å; V498-L501 WeakPolarHBondContact O-CB 3.28Å; V498-L501 PolarHBondContact O-N 3.24Å; W499-L501 VanDerWaalsContact C-N 3.32Å; W499-L501 PolarHBondContact O-N 3.29Å; L501-R503 VanDerWaalsContact C-N 3.34Å; L501-R503 PolarHBondContact O-N 3.23Å; L501-R504 PolarHBondContact O-N 2.98Å; L501-Y505 WeakPolarHBondContact O-CB 3.33Å; L501-Y505 PolarHBondContact O-N 3.01Å
502M95.2Very high90Very high2 Ų234.2 Ų34.21%0.0117%0.174CC..Hα-helixtrans-62-41.2179.7-171.9-176.7-175.700112.1T402 F403 W406 V498 W499 Y505 T506 Y601 M614 T617T402-M502 HydrophobicContact CG2-CE 4.38Å; F403-M502 HydrophobicContact CD1-CB 4.46Å; F403-M502 HydrophobicContact CD1-SD 3.58Å; F403-M502 VanDerWaalsContact CD1-SD 3.58Å; F403-M502 HydrophobicContact CE1-CB 4.26Å; F403-M502 HydrophobicContact CE1-SD 3.49Å; F403-M502 WeakPolarHBondContact CE1-SD 3.49Å; W406-M502 HydrophobicContact CB-CE 4.41Å; W406-M502 HydrophobicContact CD2-CB 4.11Å; W406-M502 HydrophobicContact CD2-CG 3.83Å; W406-M502 HydrophobicContact CD2-SD 4.36Å; W406-M502 HydrophobicContact CE3-CB 3.89Å; W406-M502 HydrophobicContact CE3-CG 4.08Å; W406-M502 HydrophobicContact CG-CE 4.26Å; W406-M502 HydrophobicContact CG-CG 4.27Å; W406-M502 HydrophobicContact CG-SD 4.41Å; W406-M502 VanDerWaalsContact CH2-CA 3.5Å; W406-M502 HydrophobicContact CH2-CB 3.87Å; W406-M502 HydrophobicContact CZ2-CB 4.06Å; W406-M502 HydrophobicContact CZ2-CG 4.29Å; W406-M502 HydrophobicContact CZ3-CB 3.77Å; W406-M502 HydrophobicContact CZ3-CG 4.42Å; V498-M502 PolarHBondContact O-N 3.03Å; W499-M502 PolarHBondContact O-N 3.45Å; M502-Y505 PolarHBondContact O-N 3.08Å; M502-T506 WeakPolarHBondContact O-CB 3.48Å; M502-T506 PolarHBondContact O-N 2.84Å; M502-T506 PolarHBondContact O-OG1 3.26Å; M502-Y601 HydrophobicContact CE-CD2 4.16Å; M502-Y601 HydrophobicContact CE-CG 4.28Å; M502-M614 HydrophobicContact CE-CE 4.41Å; M502-T617 HydrophobicContact CE-CG2 4.43Å
503R93.2Very high88.3Confident91 Ų9131.7 Ų31.734%0.34316%0.156SC..Hα-helixtrans-60.4-48.9175.2-179.2172.1-175.9-120.94.4110.7W499 L501 Y505 T506 L507 D521 M616W499-R503 HydrophobicContact CH2-CB 4.29Å; W499-R503 HydrophobicContact CZ2-CB 4.14Å; W499-R503 HydrophobicContact CZ2-CG 4.37Å; W499-R503 VanDerWaalsContact O-CB 3.29Å; W499-R503 WeakPolarHBondContact O-CB 3.22Å; W499-R503 PolarHBondContact O-N 3.28Å; L501-R503 VanDerWaalsContact C-N 3.34Å; L501-R503 PolarHBondContact O-N 3.23Å; R503-Y505 PolarHBondContact O-N 3.13Å; R503-T506 PolarHBondContact O-N 3.45Å; R503-L507 HydrophobicContact CG-CD1 4.02Å; R503-L507 VanDerWaalsContact O-CG 3.31Å; R503-L507 WeakPolarHBondContact O-CG 3.24Å; R503-L507 PolarHBondContact O-N 2.84Å; R503-D521 IonicContact CZ-OD1 3.81Å; R503-D521 IonicContact NE-OD1 3.82Å; R503-D521 IonicContact NH2-OD1 2.64Å; R503-D521 PolarHBondContact NH2-OD1 3.39Å; R503-M616 HydrophobicContact CB-CE 4.45Å; R503-M616 HydrophobicContact CG-CE 3.91Å
504R92.2Very high86.5Confident66 Ų6631.4 Ų31.425%0.24916%0.163CC..Hα-helixtrans-62.4-43.9177.6-179.861.871.2117.415.9111.7I436 A474 F476 Q500 L501 T506 L507 N508I436-R504 HydrophobicContact CB-CB 4.47Å; I436-R504 HydrophobicContact CB-CG 3.86Å; I436-R504 HydrophobicContact CD1-CB 4.08Å; I436-R504 HydrophobicContact CD1-CG 3.85Å; I436-R504 HydrophobicContact CG1-CG 4.4Å; I436-R504 HydrophobicContact CG2-CB 4.37Å; I436-R504 HydrophobicContact CG2-CG 4.24Å; A474-R504 PolarHBondContact O-NH2 3.02Å; F476-R504 HydrophobicContact CE1-CB 3.99Å; F476-R504 HydrophobicContact CZ-CB 4.11Å; Q500-R504 WeakPolarHBondContact O-CB 3.5Å; Q500-R504 PolarHBondContact O-N 3.38Å; L501-R504 PolarHBondContact O-N 2.98Å; R504-T506 VanDerWaalsContact C-N 3.29Å; R504-T506 PolarHBondContact O-N 2.59Å; R504-L507 PolarHBondContact O-N 3.33Å; R504-N508 WeakPolarHBondContact CD-OD1 3.43Å; R504-N508 PolarHBondContact O-N 3.06Å; R504-N508 PolarHBondContact O-OD1 2.85Å
505Y91.7Very high84.6Confident30 Ų3039.5 Ų39.512%0.11821%0.206CC..Hα-helixtrans-54.6-47.3176172.7-100.3000111.6W406 L410 I436 L501 M502 R503 L507 N508W406-Y505 AromaticContact CE2-CD1 3.92Å; W406-Y505 HydrophobicContact CZ2-CD1 4.07Å; W406-Y505 AromaticContact CZ2-CG 3.87Å; W406-Y505 HydrophobicContact CZ2-CG 3.87Å; W406-Y505 AromaticContact NE1-CD1 3.23Å; W406-Y505 AromaticContact NE1-CE1 3.41Å; W406-Y505 AromaticContact NE1-CG 3.87Å; L410-Y505 HydrophobicContact CD1-CD2 4.41Å; L410-Y505 HydrophobicContact CD1-CE2 4.28Å; L410-Y505 HydrophobicContact CD2-CE1 4.42Å; L410-Y505 HydrophobicContact CD2-CE2 3.83Å; L410-Y505 WeakPolarHBondContact CD2-OH 2.76Å; I436-Y505 HydrophobicContact CG2-CD2 4.46Å; L501-Y505 WeakPolarHBondContact O-CB 3.33Å; L501-Y505 PolarHBondContact O-N 3.01Å; M502-Y505 PolarHBondContact O-N 3.08Å; R503-Y505 PolarHBondContact O-N 3.13Å; Y505-L507 PolarHBondContact O-N 2.87Å; Y505-N508 PolarHBondContact O-N 3.33Å
506T88.8Confident82.6Confident9 Ų941.2 Ų41.26%0.05523%0.23CC..Hα-helixtrans-62.5-41.7178.7-54.40000111.9M502 R503 R504 V509 A620M502-T506 WeakPolarHBondContact O-CB 3.48Å; M502-T506 PolarHBondContact O-N 2.84Å; M502-T506 PolarHBondContact O-OG1 3.26Å; R503-T506 PolarHBondContact O-N 3.45Å; R504-T506 VanDerWaalsContact C-N 3.29Å; R504-T506 PolarHBondContact O-N 2.59Å; T506-V509 WeakPolarHBondContact O-CB 3.4Å; T506-V509 PolarHBondContact O-N 3.16Å; T506-A620 HydrophobicContact CG2-CB 3.51Å
507L86.6Confident80.7Confident12 Ų1246 Ų466%0.06325%0.247CC..Hα-helixtrans-74.9-31.5-179.1-64.5174.4000113.1R503 R504 Y505 V509 L510 E511 A519 I524R503-L507 HydrophobicContact CG-CD1 4.02Å; R503-L507 VanDerWaalsContact O-CG 3.31Å; R503-L507 WeakPolarHBondContact O-CG 3.24Å; R503-L507 PolarHBondContact O-N 2.84Å; R504-L507 PolarHBondContact O-N 3.33Å; Y505-L507 PolarHBondContact O-N 2.87Å; L507-V509 PolarHBondContact O-N 3.19Å; L507-L510 HydrophobicContact CD2-CD1 4.13Å; L507-L510 WeakPolarHBondContact O-CA 3.42Å; L507-L510 WeakPolarHBondContact O-CB 3.48Å; L507-L510 PolarHBondContact O-N 3.36Å; L507-E511 PolarHBondContact O-N 2.86Å; L507-A519 HydrophobicContact CB-CB 4.46Å; L507-A519 HydrophobicContact CD2-CB 3.81Å; L507-I524 HydrophobicContact CD2-CD1 3.93Å
508N84.9Confident79Confident10 Ų1052.7 Ų52.75%0.05328%0.276CS..Hα-helixtrans-59.7-33174.8-77.18.6000111.7I436 R504 Y505 L510 E511 D512I436-N508 VanDerWaalsContact C-ND2 3.26Å; I436-N508 VanDerWaalsContact CA-ND2 3.32Å; I436-N508 WeakPolarHBondContact CA-ND2 3.41Å; I436-N508 PolarHBondContact O-ND2 2.73Å; R504-N508 WeakPolarHBondContact CD-OD1 3.43Å; R504-N508 PolarHBondContact O-N 3.06Å; R504-N508 PolarHBondContact O-OD1 2.85Å; Y505-N508 PolarHBondContact O-N 3.33Å; N508-L510 PolarHBondContact O-N 3.38Å; N508-E511 PolarHBondContact O-N 3.28Å; N508-D512 PolarHBondContact O-N 3.43Å; N508-D512 VanDerWaalsContact O-N 3.15Å
509V74.5Confident77.6Confident56 Ų5653.3 Ų53.334%0.33928%0.281SS..Hα-helixtrans-61.4-30.5173.7179.20000111.5T506 L507 L513T506-V509 WeakPolarHBondContact O-CB 3.4Å; T506-V509 PolarHBondContact O-N 3.16Å; L507-V509 PolarHBondContact O-N 3.19Å; V509-L513 VanDerWaalsContact O-CD1 3.25Å; V509-L513 WeakPolarHBondContact O-CD1 3.41Å; V509-L513 WeakPolarHBondContact O-CG 3.12Å
510L75.7Confident76.8Confident7 Ų755 Ų554%0.03729%0.292CS..Hα-helixtrans-82.7-37.3176.3-59.7179.4000112.4L507 N508 D512 L513 G514 A519 I524 A620 M623L507-L510 HydrophobicContact CD2-CD1 4.13Å; L507-L510 WeakPolarHBondContact O-CA 3.42Å; L507-L510 WeakPolarHBondContact O-CB 3.48Å; L507-L510 PolarHBondContact O-N 3.36Å; N508-L510 PolarHBondContact O-N 3.38Å; L510-D512 VanDerWaalsContact C-N 3.27Å; L510-D512 PolarHBondContact O-N 3.3Å; L510-L513 PolarHBondContact O-N 3.47Å; L510-L513 VanDerWaalsContact O-N 3.09Å; L510-G514 PolarHBondContact O-N 2.84Å; L510-G514 VanDerWaalsContact O-N 3.15Å; L510-A519 HydrophobicContact CB-CB 3.89Å; L510-A519 HydrophobicContact CD1-CB 3.78Å; L510-A519 HydrophobicContact CG-CB 4.48Å; L510-I524 HydrophobicContact CD1-CD1 4.08Å; L510-I524 HydrophobicContact CD1-CG1 3.98Å; L510-A620 HydrophobicContact CD1-CB 4.19Å; L510-M623 HydrophobicContact CD1-SD 4.11Å; L510-M623 HydrophobicContact CD2-CB 4Å; L510-M623 HydrophobicContact CD2-CG 3.78Å; L510-M623 HydrophobicContact CD2-SD 4.18Å
511E69.6Low76.3Confident50 Ų5056 Ų5623%0.23430%0.299CS..Hα-helixtrans-61-37.6177.3-70-177173.900111.7L507 N508 L513L507-E511 PolarHBondContact O-N 2.86Å; N508-E511 PolarHBondContact O-N 3.28Å; E511-L513 PolarHBondContact O-N 3.39Å
512D66.5Low76Confident107 Ų10761.1 Ų61.157%0.57233%0.327SS*.THydrogen-bonded Turntrans-69-12.6176.9-71.3-18.2000113.8K437 N508 L510K437-D512 IonicContact NZ-OD1 3.36Å; K437-D512 PolarHBondContact NZ-OD1 2.98Å; K437-D512 IonicContact NZ-OD2 2.59Å; K437-D512 PolarHBondContact NZ-OD2 3.46Å; N508-D512 PolarHBondContact O-N 3.43Å; N508-D512 VanDerWaalsContact O-N 3.15Å; L510-D512 VanDerWaalsContact C-N 3.27Å; L510-D512 PolarHBondContact O-N 3.3Å
513L60.8Low75.8Confident53 Ų5363.3 Ų63.328%0.27734%0.338SS..THydrogen-bonded Turntrans-110-13.7-177.2-62.7171.8000113.6V509 L510 E511 G624 M627 K628V509-L513 VanDerWaalsContact O-CD1 3.25Å; V509-L513 WeakPolarHBondContact O-CD1 3.41Å; V509-L513 WeakPolarHBondContact O-CG 3.12Å; L510-L513 PolarHBondContact O-N 3.47Å; L510-L513 VanDerWaalsContact O-N 3.09Å; E511-L513 PolarHBondContact O-N 3.39Å; L513-G624 WeakPolarHBondContact CD1-O 3.41Å; L513-M627 HydrophobicContact CB-CB 4.2Å; L513-M627 HydrophobicContact CB-CE 4.27Å; L513-M627 HydrophobicContact CD1-CB 4.23Å; L513-M627 WeakPolarHBondContact O-CE 3.37Å; L513-K628 HydrophobicContact CD1-CG 3.87Å; L513-K628 HydrophobicContact CD2-CD 4.33Å; L513-K628 HydrophobicContact CD2-CG 3.42Å; L513-K628 VanDerWaalsContact CD2-CG 3.42Å; L513-K628 HydrophobicContact CG-CG 4.31Å
514G59.9Low75.8Confident35 Ų3559 Ų5936%0.36132%0.322SS..THydrogen-bonded Turntrans-105.7178.7178.200000113.2L510 G516L510-G514 PolarHBondContact O-N 2.84Å; L510-G514 VanDerWaalsContact O-N 3.15Å; G514-G516 PolarHBondContact O-N 3.26Å
515D58.1Low75.9Confident170 Ų17056.5 Ų56.591%0.90931%0.314SS*.THydrogen-bonded Turntrans-72.331175.7-63.7-41.8000113.6
516G55.5Low76.1Confident60 Ų6060.2 Ų60.262%0.61934%0.335SS*.SBendtrans77.714.4-177.900000115.5G514 K518G514-G516 PolarHBondContact O-N 3.26Å; G516-K518 PolarHBondContact O-N 3.23Å
517Q55.7Low76.4Confident134 Ų13460.8 Ų60.863%0.62634%0.337SS*.  trans-70.3128.6170.4-66.7-171.510.700110.3A519Q517-A519 PolarHBondContact O-N 2.86Å
518K62.2Low76.9Confident140 Ų14060.2 Ų60.261%0.60933%0.334SS*.  trans-61.3109.4170.9-71.9-175.1179.1178.20109.1G516 N520G516-K518 PolarHBondContact O-N 3.23Å; K518-N520 PolarHBondContact O-N 3.06Å
519A68.4Low77.5Confident13 Ų1361.8 Ų61.811%0.10734%0.342CS..  trans-58.8125.3176.300000109.6L507 L510 Q517L507-A519 HydrophobicContact CB-CB 4.46Å; L507-A519 HydrophobicContact CD2-CB 3.81Å; L510-A519 HydrophobicContact CB-CB 3.89Å; L510-A519 HydrophobicContact CD1-CB 3.78Å; L510-A519 HydrophobicContact CG-CB 4.48Å; Q517-A519 PolarHBondContact O-N 2.86Å
520N79.1Confident78.6Confident70 Ų7065.9 Ų65.937%0.37435%0.351SS..  trans-121.5170.2171.57015.2000109.4K518 D522 I523 I524K518-N520 PolarHBondContact O-N 3.06Å; N520-D522 VanDerWaalsContact C-N 3.25Å; N520-D522 PolarHBondContact O-N 2.81Å; N520-D522 PolarHBondContact OD1-N 3.02Å; N520-I523 PolarHBondContact O-N 3.07Å; N520-I523 VanDerWaalsContact OD1-CG1 3.23Å; N520-I523 WeakPolarHBondContact OD1-CG1 3.26Å; N520-I523 PolarHBondContact OD1-N 3.33Å; N520-I524 PolarHBondContact O-N 2.64Å
521D87.6Confident79.7Confident60 Ų6066.5 Ų66.532%0.32136%0.356SS..Hα-helixtrans-56.7-39.1-174.9-65.423000112.2R503 I524 V525 F544R503-D521 IonicContact CZ-OD1 3.81Å; R503-D521 IonicContact NE-OD1 3.82Å; R503-D521 IonicContact NH2-OD1 2.64Å; R503-D521 PolarHBondContact NH2-OD1 3.39Å; D521-I524 PolarHBondContact O-N 2.75Å; D521-V525 WeakPolarHBondContact O-CG2 3.4Å; D521-V525 PolarHBondContact O-N 3.01Å; D521-V525 VanDerWaalsContact O-N 3.08Å; D521-F544 HydrophobicContact CB-CD2 4.27Å; D521-F544 HydrophobicContact CB-CE2 3.59Å; D521-F544 HydrophobicContact CB-CZ 4.5Å
522D90.5Very high81Confident109 Ų10964.1 Ų64.158%0.58334%0.344SS*.Hα-helixtrans-67.7-38.7179.9-62.8-36.6000112.7N520 I524 V525 N526N520-D522 VanDerWaalsContact C-N 3.25Å; N520-D522 PolarHBondContact O-N 2.81Å; N520-D522 PolarHBondContact OD1-N 3.02Å; D522-I524 VanDerWaalsContact C-N 3.29Å; D522-I524 PolarHBondContact O-N 3.4Å; D522-V525 PolarHBondContact O-N 3.12Å; D522-N526 VanDerWaalsContact O-CB 3.27Å; D522-N526 WeakPolarHBondContact O-CB 3.21Å; D522-N526 PolarHBondContact O-N 3.37Å; D522-N526 PolarHBondContact O-ND2 3.38Å
523I89.8Confident82.5Confident48 Ų4863.3 Ų63.325%0.24635%0.347CS..Hα-helixtrans-59.5-43.5176.1-73.2165000110.2N520 W527 M623N520-I523 PolarHBondContact O-N 3.07Å; N520-I523 VanDerWaalsContact OD1-CG1 3.23Å; N520-I523 WeakPolarHBondContact OD1-CG1 3.26Å; N520-I523 PolarHBondContact OD1-N 3.33Å; I523-W527 VanDerWaalsContact O-CB 3.32Å; I523-W527 WeakPolarHBondContact O-CB 3.43Å; I523-W527 PolarHBondContact O-N 3.5Å; I523-M623 HydrophobicContact CG2-CE 4.05Å
524I92.9Very high84.3Confident0 Ų067.9 Ų67.90%037%0.367CS..Hα-helixtrans-66.5-49.4179.8-60.9164.8000110.2L507 L510 N520 D521 D522 N526 W527 V528 F544 M616 F619 A620 M623L507-I524 HydrophobicContact CD2-CD1 3.93Å; L510-I524 HydrophobicContact CD1-CD1 4.08Å; L510-I524 HydrophobicContact CD1-CG1 3.98Å; N520-I524 PolarHBondContact O-N 2.64Å; D521-I524 PolarHBondContact O-N 2.75Å; D522-I524 VanDerWaalsContact C-N 3.29Å; D522-I524 PolarHBondContact O-N 3.4Å; I524-N526 VanDerWaalsContact C-N 3.33Å; I524-N526 PolarHBondContact O-N 3.26Å; I524-W527 PolarHBondContact O-N 2.85Å; I524-V528 HydrophobicContact CG2-CG2 4.38Å; I524-V528 VanDerWaalsContact O-CG2 3.29Å; I524-V528 WeakPolarHBondContact O-CG2 3.39Å; I524-V528 PolarHBondContact O-N 3.11Å; I524-F544 HydrophobicContact CB-CZ 3.91Å; I524-F544 HydrophobicContact CD1-CZ 4.26Å; I524-F544 HydrophobicContact CG2-CE1 4.02Å; I524-F544 HydrophobicContact CG2-CZ 3.79Å; I524-M616 HydrophobicContact CD1-CG 4.46Å; I524-M616 HydrophobicContact CD1-SD 4.24Å; I524-F619 HydrophobicContact CG2-CB 3.84Å; I524-A620 HydrophobicContact CD1-CB 3.97Å; I524-M623 HydrophobicContact CB-SD 4.34Å; I524-M623 HydrophobicContact CG1-SD 4.01Å; I524-M623 HydrophobicContact CG2-SD 4.49Å
525V96.2Very high86.1Confident14 Ų1468.6 Ų68.69%0.08537%0.369CS..Hα-helixtrans-59.5-44.3179.5170.20000111.3D521 D522 V528 N529 I541 F544D521-V525 WeakPolarHBondContact O-CG2 3.4Å; D521-V525 PolarHBondContact O-N 3.01Å; D521-V525 VanDerWaalsContact O-N 3.08Å; D522-V525 PolarHBondContact O-N 3.12Å; V525-V528 PolarHBondContact O-N 2.92Å; V525-N529 PolarHBondContact O-N 3.18Å; V525-N529 PolarHBondContact O-ND2 2.86Å; V525-I541 HydrophobicContact CG1-CG1 4.34Å; V525-I541 HydrophobicContact CG2-CD1 4.34Å; V525-F544 HydrophobicContact CG2-CD1 4.35Å; V525-F544 HydrophobicContact CG2-CE1 3.87Å; V525-F544 HydrophobicContact CG2-CZ 3.96Å
526N95.4Very high87.9Confident107 Ų10763.8 Ų63.857%0.57236%0.36SS*.Hα-helixtrans-63.9-42.6177.1-73-33.4000112D522 I524 R530D522-N526 VanDerWaalsContact O-CB 3.27Å; D522-N526 WeakPolarHBondContact O-CB 3.21Å; D522-N526 PolarHBondContact O-N 3.37Å; D522-N526 PolarHBondContact O-ND2 3.38Å; I524-N526 VanDerWaalsContact C-N 3.33Å; I524-N526 PolarHBondContact O-N 3.26Å; N526-R530 VanDerWaalsContact O-CB 3.29Å; N526-R530 WeakPolarHBondContact O-CB 3.49Å; N526-R530 PolarHBondContact O-N 3.49Å
527W94.3Very high89.9Confident22 Ų2263.2 Ų63.28%0.08334%0.34CS..Hα-helixtrans-61.8-44.3175.7178.493.2000111.5I523 I524 R530 T531 L558 I562 M623I523-W527 VanDerWaalsContact O-CB 3.32Å; I523-W527 WeakPolarHBondContact O-CB 3.43Å; I523-W527 PolarHBondContact O-N 3.5Å; I524-W527 PolarHBondContact O-N 2.85Å; W527-R530 PolarHBondContact O-N 2.91Å; W527-T531 HydrophobicContact CH2-CG2 4.28Å; W527-T531 HydrophobicContact CZ2-CG2 4.3Å; W527-T531 VanDerWaalsContact O-CB 3.32Å; W527-T531 WeakPolarHBondContact O-CB 3.41Å; W527-T531 PolarHBondContact O-N 3.27Å; W527-T531 PolarHBondContact O-OG1 3.47Å; W527-L558 HydrophobicContact CH2-CD1 4.09Å; W527-L558 HydrophobicContact CZ3-CD1 3.81Å; W527-L558 HydrophobicContact CZ3-CD2 4.15Å; W527-L558 HydrophobicContact CZ3-CG 4.42Å; W527-I562 HydrophobicContact CH2-CD1 4.01Å; W527-I562 HydrophobicContact CH2-CG1 4.07Å; W527-M623 HydrophobicContact CB-CE 3.89Å; W527-M623 HydrophobicContact CB-SD 3.86Å; W527-M623 HydrophobicContact CD2-CB 3.97Å; W527-M623 HydrophobicContact CD2-CE 4.43Å; W527-M623 HydrophobicContact CD2-CG 3.52Å; W527-M623 HydrophobicContact CD2-SD 4.02Å; W527-M623 HydrophobicContact CE3-CB 3.54Å; W527-M623 HydrophobicContact CE3-CG 3.64Å; W527-M623 HydrophobicContact CE3-SD 4.2Å; W527-M623 HydrophobicContact CG-CE 3.8Å; W527-M623 HydrophobicContact CG-CG 3.9Å; W527-M623 HydrophobicContact CG-SD 3.84Å; W527-M623 VanDerWaalsContact CH2-CA 3.46Å; W527-M623 HydrophobicContact CH2-CB 4.13Å; W527-M623 HydrophobicContact CH2-CG 4.47Å; W527-M623 HydrophobicContact CZ2-CB 4.47Å; W527-M623 HydrophobicContact CZ2-CG 4.34Å; W527-M623 HydrophobicContact CZ3-CB 3.62Å; W527-M623 HydrophobicContact CZ3-CG 4.12Å
528V97.2Very high91.8Very high0 Ų062.6 Ų62.60%035%0.351CS..Hα-helixtrans-58.4-53.6177.5168.40000110.4I524 V525 R530 T531 L532 I541 L558 F619I524-V528 HydrophobicContact CG2-CG2 4.38Å; I524-V528 VanDerWaalsContact O-CG2 3.29Å; I524-V528 WeakPolarHBondContact O-CG2 3.39Å; I524-V528 PolarHBondContact O-N 3.11Å; V525-V528 PolarHBondContact O-N 2.92Å; V528-R530 PolarHBondContact O-N 3.21Å; V528-T531 PolarHBondContact O-N 2.86Å; V528-L532 HydrophobicContact CG1-CD1 3.71Å; V528-L532 HydrophobicContact CG1-CG 4.4Å; V528-L532 WeakPolarHBondContact O-CB 3.41Å; V528-L532 VanDerWaalsContact O-CG 3.32Å; V528-L532 WeakPolarHBondContact O-CG 3.48Å; V528-L532 PolarHBondContact O-N 3.45Å; V528-I541 HydrophobicContact CB-CD1 4.22Å; V528-I541 HydrophobicContact CB-CG1 4.48Å; V528-I541 HydrophobicContact CG1-CD1 3.85Å; V528-I541 HydrophobicContact CG1-CG1 3.92Å; V528-I541 HydrophobicContact CG2-CD1 4.43Å; V528-L558 HydrophobicContact CG1-CD2 4.12Å; V528-L558 HydrophobicContact CG2-CD2 3.88Å; V528-F619 HydrophobicContact CB-CD1 4.5Å; V528-F619 HydrophobicContact CG1-CD1 4.09Å; V528-F619 HydrophobicContact CG1-CE1 4Å; V528-F619 HydrophobicContact CG2-CB 4.1Å; V528-F619 HydrophobicContact CG2-CD1 3.57Å; V528-F619 HydrophobicContact CG2-CE1 4.32Å; V528-F619 HydrophobicContact CG2-CG 4.09Å
529N98.4Very high93.5Very high43 Ų4357.3 Ų57.323%0.2333%0.33CS..Hα-helixtrans-65.3-37.9-177.1-70.8-27.4000112.6V525 S533 S540 I541V525-N529 PolarHBondContact O-N 3.18Å; V525-N529 PolarHBondContact O-ND2 2.86Å; N529-S533 WeakPolarHBondContact O-CB 3.46Å; N529-S533 PolarHBondContact O-N 3.35Å; N529-S540 WeakPolarHBondContact OD1-CA 3.45Å; N529-S540 WeakPolarHBondContact OD1-CB 3.4Å; N529-I541 PolarHBondContact ND2-O 2.96Å; N529-I541 PolarHBondContact OD1-N 2.85Å; N529-I541 PolarHBondContact OD1-O 2.9Å
530R97.5Very high94.9Very high142 Ų14260.1 Ų60.154%0.53635%0.349SS..Hα-helixtrans-62.5-48.6173.7-178.817863.2-168.8-0.1111.1N526 W527 V528 L532 S533 E534N526-R530 VanDerWaalsContact O-CB 3.29Å; N526-R530 WeakPolarHBondContact O-CB 3.49Å; N526-R530 PolarHBondContact O-N 3.49Å; W527-R530 PolarHBondContact O-N 2.91Å; V528-R530 PolarHBondContact O-N 3.21Å; R530-L532 VanDerWaalsContact C-N 3.35Å; R530-L532 PolarHBondContact O-N 3.49Å; R530-S533 PolarHBondContact O-N 3.32Å; R530-E534 WeakPolarHBondContact CD-OE1 3.37Å; R530-E534 HydrophobicContact CG-CG 4.26Å; R530-E534 VanDerWaalsContact CG-OE1 3.25Å; R530-E534 WeakPolarHBondContact CG-OE1 3.43Å; R530-E534 WeakPolarHBondContact O-CB 3.28Å; R530-E534 WeakPolarHBondContact O-CG 3.2Å; R530-E534 PolarHBondContact O-N 2.96Å
531T97.5Very high95.8Very high20 Ų2056.8 Ų56.812%0.12333%0.331CS..Hα-helixtrans-61.4-42.8-179.6-54.90000111.5W527 V528 A535 L558 A561W527-T531 HydrophobicContact CH2-CG2 4.28Å; W527-T531 HydrophobicContact CZ2-CG2 4.3Å; W527-T531 VanDerWaalsContact O-CB 3.32Å; W527-T531 WeakPolarHBondContact O-CB 3.41Å; W527-T531 PolarHBondContact O-N 3.27Å; W527-T531 PolarHBondContact O-OG1 3.47Å; V528-T531 PolarHBondContact O-N 2.86Å; T531-A535 WeakPolarHBondContact O-CB 3.37Å; T531-A535 PolarHBondContact O-N 3.24Å; T531-A535 VanDerWaalsContact O-N 3.13Å; T531-L558 HydrophobicContact CG2-CD1 3.88Å; T531-A561 HydrophobicContact CG2-CB 4.06Å
532L98.4Very high96.2Very high0 Ų062 Ų620%035%0.354CS..Hα-helixtrans-62.3-47.6174.9-72.4169.9000111.7V528 R530 A535 G536 K537 T539 D557 L558V528-L532 HydrophobicContact CG1-CD1 3.71Å; V528-L532 HydrophobicContact CG1-CG 4.4Å; V528-L532 WeakPolarHBondContact O-CB 3.41Å; V528-L532 VanDerWaalsContact O-CG 3.32Å; V528-L532 WeakPolarHBondContact O-CG 3.48Å; V528-L532 PolarHBondContact O-N 3.45Å; R530-L532 VanDerWaalsContact C-N 3.35Å; R530-L532 PolarHBondContact O-N 3.49Å; L532-A535 PolarHBondContact O-N 3.38Å; L532-G536 PolarHBondContact O-N 2.9Å; L532-K537 HydrophobicContact CB-CB 4.24Å; L532-K537 HydrophobicContact CD2-CB 3.95Å; L532-K537 HydrophobicContact CD2-CG 4.11Å; L532-K537 WeakPolarHBondContact O-CB 3.44Å; L532-K537 PolarHBondContact O-N 3.39Å; L532-T539 WeakPolarHBondContact CD1-O 3.46Å; L532-D557 HydrophobicContact CD2-CB 3.61Å; L532-L558 HydrophobicContact CD2-CB 4.07Å; L532-L558 HydrophobicContact CG-CD1 4.43Å
533S97.9Very high96.5Very high89 Ų8959.1 Ų59.162%0.62234%0.342SS*.Hα-helixtrans-64.9-42.1-179.9-175.10000112.7N529 R530 A535 G536N529-S533 WeakPolarHBondContact O-CB 3.46Å; N529-S533 PolarHBondContact O-N 3.35Å; R530-S533 PolarHBondContact O-N 3.32Å; S533-A535 VanDerWaalsContact C-N 3.28Å; S533-A535 PolarHBondContact O-N 3.45Å; S533-G536 PolarHBondContact O-N 2.83Å
534E97.6Very high96.8Very high150 Ų15057.3 Ų57.370%0.70133%0.333SS*.Hα-helixtrans-65.9-31.8178.2-75173.4179.200111.8R530 G536R530-E534 WeakPolarHBondContact CD-OE1 3.37Å; R530-E534 HydrophobicContact CG-CG 4.26Å; R530-E534 VanDerWaalsContact CG-OE1 3.25Å; R530-E534 WeakPolarHBondContact CG-OE1 3.43Å; R530-E534 WeakPolarHBondContact O-CB 3.28Å; R530-E534 WeakPolarHBondContact O-CG 3.2Å; R530-E534 PolarHBondContact O-N 2.96Å; E534-G536 PolarHBondContact O-N 2.76Å
535A97.2Very high97.1Very high49 Ų4964.4 Ų64.441%0.40536%0.363SS..THydrogen-bonded Turntrans-80.91.7172.900000113.9T531 L532 S533 K537 A561T531-A535 WeakPolarHBondContact O-CB 3.37Å; T531-A535 PolarHBondContact O-N 3.24Å; T531-A535 VanDerWaalsContact O-N 3.13Å; L532-A535 PolarHBondContact O-N 3.38Å; S533-A535 VanDerWaalsContact C-N 3.28Å; S533-A535 PolarHBondContact O-N 3.45Å; A535-K537 VanDerWaalsContact C-N 3.3Å; A535-K537 HydrophobicContact CB-CG 4.16Å; A535-K537 PolarHBondContact O-N 3.1Å; A535-A561 HydrophobicContact CB-CB 3.52Å
536G97.4Very high97.1Very high69 Ų6964.7 Ų64.771%0.71136%0.364SS*.THydrogen-bonded Turntrans70.321.5-179.700000114.4L532 S533 E534L532-G536 PolarHBondContact O-N 2.9Å; S533-G536 PolarHBondContact O-N 2.83Å; E534-G536 PolarHBondContact O-N 2.76Å
537K97.3Very high97.2Very high48 Ų4866.6 Ų66.621%0.20937%0.367CS..  trans-79.8145.8175.9-56.7-64.6-177.1176.20110.2L532 A535 D557 D560 Y569L532-K537 HydrophobicContact CB-CB 4.24Å; L532-K537 HydrophobicContact CD2-CB 3.95Å; L532-K537 HydrophobicContact CD2-CG 4.11Å; L532-K537 WeakPolarHBondContact O-CB 3.44Å; L532-K537 PolarHBondContact O-N 3.39Å; A535-K537 VanDerWaalsContact C-N 3.3Å; A535-K537 HydrophobicContact CB-CG 4.16Å; A535-K537 PolarHBondContact O-N 3.1Å; K537-D557 HydrophobicContact CB-CB 4.19Å; K537-D557 HydrophobicContact CD-CB 4.05Å; K537-D557 HydrophobicContact CG-CB 4.01Å; K537-D560 WeakPolarHBondContact CE-OD2 3.29Å; K537-D560 IonicContact NZ-OD2 3.11Å; K537-D560 PolarHBondContact NZ-OD2 3.05Å; K537-Y569 PolarHBondContact NZ-OH 3.29Å
538S94.7Very high97.4Very high122 Ų12269.2 Ų69.285%0.85339%0.386SS*.  trans-88.7-14180570000113.6
539T97.6Very high97.4Very high29 Ų2969.2 Ų69.218%0.17839%0.386CS..  trans-76.6152177.952.40000111.6L532 L553 D557L532-T539 WeakPolarHBondContact CD1-O 3.46Å; T539-L553 HydrophobicContact CG2-CB 4.06Å; T539-D557 WeakPolarHBondContact CB-OD2 3.17Å; T539-D557 WeakPolarHBondContact CG2-OD2 3.3Å; T539-D557 VanDerWaalsContact OG1-CB 3.29Å; T539-D557 WeakPolarHBondContact OG1-CB 3.42Å; T539-D557 PolarHBondContact OG1-OD2 3.11Å
540S97.9Very high97.4Very high71 Ų7168.1 Ų68.150%0.49738%0.382SS..  trans-156.9161.8174.666.90000108.8N529N529-S540 WeakPolarHBondContact OD1-CA 3.45Å; N529-S540 WeakPolarHBondContact OD1-CB 3.4Å
541I98.1Very high97.4Very high1 Ų162.2 Ų62.21%0.00536%0.362CS..  trans-125.3139.4175.460169.6000110.9V525 V528 N529 D546 I549 A554 F619V525-I541 HydrophobicContact CG1-CG1 4.34Å; V525-I541 HydrophobicContact CG2-CD1 4.34Å; V528-I541 HydrophobicContact CB-CD1 4.22Å; V528-I541 HydrophobicContact CB-CG1 4.48Å; V528-I541 HydrophobicContact CG1-CD1 3.85Å; V528-I541 HydrophobicContact CG1-CG1 3.92Å; V528-I541 HydrophobicContact CG2-CD1 4.43Å; N529-I541 PolarHBondContact ND2-O 2.96Å; N529-I541 PolarHBondContact OD1-N 2.85Å; N529-I541 PolarHBondContact OD1-O 2.9Å; I541-D546 WeakPolarHBondContact CA-OD2 3.48Å; I541-I549 HydrophobicContact CB-CD1 4.35Å; I541-I549 HydrophobicContact CG2-CD1 3.92Å; I541-I549 HydrophobicContact CG2-CG1 3.65Å; I541-A554 HydrophobicContact CG2-CB 3.8Å; I541-F619 HydrophobicContact CD1-CD1 4.3Å; I541-F619 HydrophobicContact CD1-CD2 4.01Å; I541-F619 HydrophobicContact CD1-CE1 4.11Å; I541-F619 HydrophobicContact CD1-CE2 3.79Å; I541-F619 HydrophobicContact CD1-CG 4.26Å; I541-F619 HydrophobicContact CD1-CZ 3.85Å; I541-F619 HydrophobicContact CG2-CZ 4.12Å
542Q97Very high97.5Very high169 Ų16961.2 Ų61.279%0.7936%0.356SS*.SBendtrans-86.7-32.6176.3-63.3-1793.700112.7D546Q542-D546 PolarHBondContact N-OD2 2.82Å
543S97Very high97.5Very high48 Ų4863 Ų6334%0.33637%0.366SS..SBendtrans-166.4174.5178.368.10000109.5K545 D546 I549S543-K545 PolarHBondContact O-N 3.17Å; S543-K545 VanDerWaalsContact O-N 3.08Å; S543-K545 PolarHBondContact OG-N 3.39Å; S543-K545 VanDerWaalsContact OG-N 3.15Å; S543-D546 WeakPolarHBondContact O-CB 3.28Å; S543-D546 PolarHBondContact O-N 3Å; S543-I549 WeakPolarHBondContact O-CD1 3.15Å
544F96.5Very high97.5Very high11 Ų1158.9 Ų58.95%0.04834%0.337CS..THydrogen-bonded Turntrans-68.8-2171.3-52.2-49.3000114.5D521 I524 V525 P612 V615 M616 F619D521-F544 HydrophobicContact CB-CD2 4.27Å; D521-F544 HydrophobicContact CB-CE2 3.59Å; D521-F544 HydrophobicContact CB-CZ 4.5Å; I524-F544 HydrophobicContact CB-CZ 3.91Å; I524-F544 HydrophobicContact CD1-CZ 4.26Å; I524-F544 HydrophobicContact CG2-CE1 4.02Å; I524-F544 HydrophobicContact CG2-CZ 3.79Å; V525-F544 HydrophobicContact CG2-CD1 4.35Å; V525-F544 HydrophobicContact CG2-CE1 3.87Å; V525-F544 HydrophobicContact CG2-CZ 3.96Å; F544-P612 HydrophobicContact CB-CB 4.41Å; F544-V615 HydrophobicContact CB-CB 4.43Å; F544-V615 HydrophobicContact CB-CG1 3.97Å; F544-V615 HydrophobicContact CD1-CG1 4.12Å; F544-V615 HydrophobicContact CG-CG1 4.48Å; F544-M616 HydrophobicContact CB-CB 4.49Å; F544-M616 HydrophobicContact CD1-CB 4.22Å; F544-M616 HydrophobicContact CD2-CB 3.55Å; F544-M616 HydrophobicContact CD2-CG 3.68Å; F544-M616 HydrophobicContact CE1-CB 4.33Å; F544-M616 HydrophobicContact CE1-CG 4.37Å; F544-M616 HydrophobicContact CE2-CB 3.66Å; F544-M616 HydrophobicContact CE2-CG 3.25Å; F544-M616 HydrophobicContact CG-CB 3.83Å; F544-M616 HydrophobicContact CG-CG 4.37Å; F544-M616 HydrophobicContact CZ-CB 4.06Å; F544-M616 HydrophobicContact CZ-CG 3.65Å; F544-F619 HydrophobicContact CD1-CD2 4.04Å; F544-F619 HydrophobicContact CE1-CB 4.13Å; F544-F619 HydrophobicContact CE1-CD2 4.1Å; F544-F619 HydrophobicContact CE1-CG 4.45Å
545K97.5Very high97.5Very high148 Ų14851.8 Ų51.864%0.64330%0.304SS*.THydrogen-bonded Turntrans-100.6-0.8172.1-61.7-178.5-179178.70112.6S543 K547 P612S543-K545 PolarHBondContact O-N 3.17Å; S543-K545 VanDerWaalsContact O-N 3.08Å; S543-K545 PolarHBondContact OG-N 3.39Å; S543-K545 VanDerWaalsContact OG-N 3.15Å; K545-K547 PolarHBondContact O-N 3.43Å; K545-P612 HydrophobicContact CG-CB 4.01Å; K545-P612 HydrophobicContact CG-CG 3.68Å
546D97.7Very high97.6Very high20 Ų2049.5 Ų49.511%0.10729%0.285CS..  trans-60.5119.6-177.6-170.7-28.3000110.7I541 Q542 S543 T548 I549 V610I541-D546 WeakPolarHBondContact CA-OD2 3.48Å; Q542-D546 PolarHBondContact N-OD2 2.82Å; S543-D546 WeakPolarHBondContact O-CB 3.28Å; S543-D546 PolarHBondContact O-N 3Å; D546-T548 PolarHBondContact O-N 3.48Å; D546-T548 WeakPolarHBondContact OD1-CB 3.41Å; D546-T548 WeakPolarHBondContact OD1-CG2 3.28Å; D546-T548 PolarHBondContact OD1-N 2.89Å; D546-T548 PolarHBondContact OD1-OG1 3.24Å; D546-T548 PolarHBondContact OD2-OG1 3.04Å; D546-I549 HydrophobicContact CB-CD1 3.89Å; D546-I549 HydrophobicContact CB-CG1 4.22Å; D546-I549 VanDerWaalsContact O-CB 3.29Å; D546-I549 WeakPolarHBondContact O-CB 3.23Å; D546-I549 WeakPolarHBondContact O-CG1 3.27Å; D546-I549 PolarHBondContact O-N 2.81Å; D546-I549 VanDerWaalsContact O-N 3.15Å; D546-V610 WeakPolarHBondContact O-CG1 3.04Å
547K97.3Very high97.6Very high147 Ų14746.8 Ų46.864%0.63925%0.254SS*.G310 helixtrans-66.2-20.8-175.5-66.6-62-175.8-178.50113.2K545 I549 S550 V610K545-K547 PolarHBondContact O-N 3.43Å; K547-I549 PolarHBondContact O-N 3.01Å; K547-S550 WeakPolarHBondContact O-CB 3.37Å; K547-S550 PolarHBondContact O-N 2.69Å; K547-S550 PolarHBondContact O-OG 3.41Å; K547-V610 HydrophobicContact CD-CG2 4.48Å
548T96.8Very high97.7Very high77 Ų7744.5 Ų44.547%0.47224%0.244SC..G310 helixtrans-64.1-24175.962.60000112.5D546 S550 S551D546-T548 PolarHBondContact O-N 3.48Å; D546-T548 WeakPolarHBondContact OD1-CB 3.41Å; D546-T548 WeakPolarHBondContact OD1-CG2 3.28Å; D546-T548 PolarHBondContact OD1-N 2.89Å; D546-T548 PolarHBondContact OD1-OG1 3.24Å; D546-T548 PolarHBondContact OD2-OG1 3.04Å; T548-S550 PolarHBondContact O-N 2.72Å; T548-S551 WeakPolarHBondContact O-CB 3.47Å; T548-S551 PolarHBondContact O-N 2.96Å; T548-S551 PolarHBondContact O-OG 3.13Å
549I98.3Very high97.9Very high0 Ų038.7 Ų38.70%020%0.203CC..G310 helixtrans-60.4-27.6175.8-63.6166.9000111.7I541 S543 D546 K547 S551 S552 L607 V610 V615 F619I541-I549 HydrophobicContact CB-CD1 4.35Å; I541-I549 HydrophobicContact CG2-CD1 3.92Å; I541-I549 HydrophobicContact CG2-CG1 3.65Å; S543-I549 WeakPolarHBondContact O-CD1 3.15Å; D546-I549 HydrophobicContact CB-CD1 3.89Å; D546-I549 HydrophobicContact CB-CG1 4.22Å; D546-I549 VanDerWaalsContact O-CB 3.29Å; D546-I549 WeakPolarHBondContact O-CB 3.23Å; D546-I549 WeakPolarHBondContact O-CG1 3.27Å; D546-I549 PolarHBondContact O-N 2.81Å; D546-I549 VanDerWaalsContact O-N 3.15Å; K547-I549 PolarHBondContact O-N 3.01Å; I549-S551 PolarHBondContact O-N 3.49Å; I549-S552 WeakPolarHBondContact O-CA 3.35Å; I549-S552 PolarHBondContact O-N 3.18Å; I549-L607 HydrophobicContact CG2-CD2 4.25Å; I549-V610 HydrophobicContact CB-CG1 4.39Å; I549-V615 HydrophobicContact CD1-CG1 3.76Å; I549-V615 HydrophobicContact CG2-CG1 4.1Å; I549-V615 HydrophobicContact CG2-CG2 4.17Å; I549-F619 HydrophobicContact CD1-CE2 3.96Å; I549-F619 HydrophobicContact CG1-CE2 4.34Å; I549-F619 HydrophobicContact CG1-CZ 4.49Å; I549-F619 HydrophobicContact CG2-CE2 4.46Å
550S98Very high97.9Very high20 Ų2038.3 Ų38.314%0.1420%0.2CC..G310 helixtrans-56.4-24.2177.264.10000114.1K547 T548 S552 K582 L607 V608K547-S550 WeakPolarHBondContact O-CB 3.37Å; K547-S550 PolarHBondContact O-N 2.69Å; K547-S550 PolarHBondContact O-OG 3.41Å; T548-S550 PolarHBondContact O-N 2.72Å; S550-S552 VanDerWaalsContact C-N 3.27Å; S550-S552 PolarHBondContact O-N 3.08Å; S550-K582 WeakPolarHBondContact O-CB 3.28Å; S550-K582 WeakPolarHBondContact O-CG 3.42Å; S550-L607 WeakPolarHBondContact CA-O 3.48Å; S550-V608 WeakPolarHBondContact CB-O 3.42Å
551S98Very high97.9Very high18 Ų1835.9 Ų35.913%0.12619%0.185CC..G310 helixtrans-75.2-1517568.10000114.2T548 I549 L553 N585T548-S551 WeakPolarHBondContact O-CB 3.47Å; T548-S551 PolarHBondContact O-N 2.96Å; T548-S551 PolarHBondContact O-OG 3.13Å; I549-S551 PolarHBondContact O-N 3.49Å; S551-L553 PolarHBondContact O-N 3.1Å; S551-L553 VanDerWaalsContact O-N 3.1Å; S551-L553 WeakPolarHBondContact OG-CB 3.34Å; S551-L553 WeakPolarHBondContact OG-CG 3.39Å; S551-L553 PolarHBondContact OG-N 3.23Å; S551-N585 WeakPolarHBondContact O-CB 3.4Å; S551-N585 PolarHBondContact O-ND2 2.93Å; S551-N585 VanDerWaalsContact O-ND2 3.1Å
552S98.5Very high97.8Very high0 Ų036.2 Ų36.20%019%0.186CC..  trans58.14.1-166.3-57.30000115.6I549 S550 A554 V555 V556 A586I549-S552 WeakPolarHBondContact O-CA 3.35Å; I549-S552 PolarHBondContact O-N 3.18Å; S550-S552 VanDerWaalsContact C-N 3.27Å; S550-S552 PolarHBondContact O-N 3.08Å; S552-A554 PolarHBondContact O-N 3.13Å; S552-V555 WeakPolarHBondContact O-CB 3.46Å; S552-V555 PolarHBondContact O-N 3.37Å; S552-V555 VanDerWaalsContact O-N 3.09Å; S552-V556 WeakPolarHBondContact O-CG2 3.36Å; S552-V556 PolarHBondContact O-N 3.2Å; S552-A586 VanDerWaalsContact OG-CA 3.31Å; S552-A586 WeakPolarHBondContact OG-CA 3.46Å; S552-A586 WeakPolarHBondContact OG-CB 3.24Å
553L98.4Very high97.7Very high38 Ų3828.9 Ų28.920%0.19915%0.152CC..Hα-helixtrans-62.5-42.5-176.8-67.5174.1000112.5T539 S551 V555 V556 D557 V572T539-L553 HydrophobicContact CG2-CB 4.06Å; S551-L553 PolarHBondContact O-N 3.1Å; S551-L553 VanDerWaalsContact O-N 3.1Å; S551-L553 WeakPolarHBondContact OG-CB 3.34Å; S551-L553 WeakPolarHBondContact OG-CG 3.39Å; S551-L553 PolarHBondContact OG-N 3.23Å; L553-V555 VanDerWaalsContact C-N 3.26Å; L553-V555 PolarHBondContact O-N 3.35Å; L553-V556 PolarHBondContact O-N 3.41Å; L553-D557 WeakPolarHBondContact O-CB 3.29Å; L553-D557 PolarHBondContact O-N 3.45Å; L553-V572 HydrophobicContact CD2-CG1 3.71Å
554A98.3Very high97.7Very high2 Ų231.1 Ų31.12%0.01717%0.166CC..Hα-helixtrans-63.5-32.517600000112.6I541 S552 L558I541-A554 HydrophobicContact CG2-CB 3.8Å; S552-A554 PolarHBondContact O-N 3.13Å; A554-L558 WeakPolarHBondContact O-CB 3.34Å; A554-L558 PolarHBondContact O-N 3.18Å; A554-L558 VanDerWaalsContact O-N 3.09Å
555V98.6Very high97.5Very high1 Ų133.9 Ų33.91%0.00620%0.197CC..Hα-helixtrans-72.5-46.4176.7-178.50000110S552 L553 L558 I559 A589 L607 V618 F619 L622S552-V555 WeakPolarHBondContact O-CB 3.46Å; S552-V555 PolarHBondContact O-N 3.37Å; S552-V555 VanDerWaalsContact O-N 3.09Å; L553-V555 VanDerWaalsContact C-N 3.26Å; L553-V555 PolarHBondContact O-N 3.35Å; V555-L558 PolarHBondContact O-N 3.03Å; V555-I559 HydrophobicContact CG1-CD1 4.01Å; V555-I559 WeakPolarHBondContact O-CD1 3.31Å; V555-I559 VanDerWaalsContact O-CG1 3.26Å; V555-I559 WeakPolarHBondContact O-CG1 3.1Å; V555-I559 PolarHBondContact O-N 3.19Å; V555-A589 HydrophobicContact CB-CB 4.42Å; V555-A589 HydrophobicContact CG1-CB 4.06Å; V555-L607 HydrophobicContact CG2-CD1 4.39Å; V555-L607 HydrophobicContact CG2-CD2 4.17Å; V555-V618 HydrophobicContact CG1-CG1 3.98Å; V555-V618 HydrophobicContact CG2-CG1 4.48Å; V555-F619 HydrophobicContact CG2-CE1 4.17Å; V555-F619 HydrophobicContact CG2-CE2 4.47Å; V555-F619 HydrophobicContact CG2-CZ 3.8Å; V555-L622 HydrophobicContact CG1-CD1 3.98Å
556V98.5Very high97.3Very high0 Ų027.4 Ų27.40%017%0.17CC..Hα-helixtrans-58.5-49.9176167.70000111.2S552 L553 L558 I559 D560 I567 Y569 V572 A589S552-V556 WeakPolarHBondContact O-CG2 3.36Å; S552-V556 PolarHBondContact O-N 3.2Å; L553-V556 PolarHBondContact O-N 3.41Å; V556-L558 VanDerWaalsContact C-N 3.29Å; V556-L558 PolarHBondContact O-N 3.18Å; V556-I559 PolarHBondContact O-N 2.9Å; V556-D560 PolarHBondContact O-N 3.33Å; V556-I567 HydrophobicContact CG1-CD1 4.18Å; V556-I567 HydrophobicContact CG1-CG1 4.23Å; V556-I567 HydrophobicContact CG1-CG2 3.61Å; V556-Y569 HydrophobicContact CG1-CD1 4.48Å; V556-Y569 HydrophobicContact CG1-CE1 3.88Å; V556-V572 HydrophobicContact CG1-CG1 4.31Å; V556-V572 HydrophobicContact CG1-CG2 4.01Å; V556-V572 HydrophobicContact CG2-CG1 4.47Å; V556-A589 HydrophobicContact CG2-CB 3.87Å
557D98.5Very high97.3Very high13 Ų1327 Ų277%0.0717%0.168CC..Hα-helixtrans-62.9-37.2179.1-78.4-12.3000112.3L532 K537 T539 L553 D560 A561 Y569L532-D557 HydrophobicContact CD2-CB 3.61Å; K537-D557 HydrophobicContact CB-CB 4.19Å; K537-D557 HydrophobicContact CD-CB 4.05Å; K537-D557 HydrophobicContact CG-CB 4.01Å; T539-D557 WeakPolarHBondContact CB-OD2 3.17Å; T539-D557 WeakPolarHBondContact CG2-OD2 3.3Å; T539-D557 VanDerWaalsContact OG1-CB 3.29Å; T539-D557 WeakPolarHBondContact OG1-CB 3.42Å; T539-D557 PolarHBondContact OG1-OD2 3.11Å; L553-D557 WeakPolarHBondContact O-CB 3.29Å; L553-D557 PolarHBondContact O-N 3.45Å; D557-D560 PolarHBondContact O-N 3.21Å; D557-A561 WeakPolarHBondContact O-CB 3.47Å; D557-A561 PolarHBondContact O-N 3.49Å; D557-Y569 VanDerWaalsContact OD1-CE1 3.31Å; D557-Y569 WeakPolarHBondContact OD1-CE1 3.01Å; D557-Y569 PolarHBondContact OD1-OH 3.27Å
558L98.6Very high97.2Very high0 Ų023.4 Ų23.40%016%0.156CC..Hα-helixtrans-68.3-39.4176.6-178.463.2000111.6W527 V528 T531 L532 A554 V555 V556 D560 A561 I562 F619 L622W527-L558 HydrophobicContact CH2-CD1 4.09Å; W527-L558 HydrophobicContact CZ3-CD1 3.81Å; W527-L558 HydrophobicContact CZ3-CD2 4.15Å; W527-L558 HydrophobicContact CZ3-CG 4.42Å; V528-L558 HydrophobicContact CG1-CD2 4.12Å; V528-L558 HydrophobicContact CG2-CD2 3.88Å; T531-L558 HydrophobicContact CG2-CD1 3.88Å; L532-L558 HydrophobicContact CD2-CB 4.07Å; L532-L558 HydrophobicContact CG-CD1 4.43Å; A554-L558 WeakPolarHBondContact O-CB 3.34Å; A554-L558 PolarHBondContact O-N 3.18Å; A554-L558 VanDerWaalsContact O-N 3.09Å; V555-L558 PolarHBondContact O-N 3.03Å; V556-L558 VanDerWaalsContact C-N 3.29Å; V556-L558 PolarHBondContact O-N 3.18Å; L558-D560 VanDerWaalsContact C-N 3.34Å; L558-A561 PolarHBondContact O-N 3.23Å; L558-I562 HydrophobicContact CD1-CD1 4.31Å; L558-I562 HydrophobicContact CD1-CG1 4.45Å; L558-I562 HydrophobicContact CG-CD1 3.97Å; L558-I562 WeakPolarHBondContact O-CB 3.5Å; L558-I562 WeakPolarHBondContact O-CD1 3.42Å; L558-I562 VanDerWaalsContact O-CG1 3.24Å; L558-I562 WeakPolarHBondContact O-CG1 3.46Å; L558-I562 PolarHBondContact O-N 3.02Å; L558-F619 HydrophobicContact CD2-CD1 3.52Å; L558-F619 HydrophobicContact CD2-CE1 3.83Å; L558-L622 HydrophobicContact CD2-CB 4Å; L558-L622 HydrophobicContact CD2-CD1 3.82Å; L558-L622 HydrophobicContact CG-CD1 4.37Å
559I98.3Very high97.2Very high0 Ų023.7 Ų23.70%015%0.149CC..Hα-helixtrans-60.6-45.6174.3-69.4159.7000110.3V555 V556 I562 Q563 I567 A589 M592 A593 I596 L622V555-I559 HydrophobicContact CG1-CD1 4.01Å; V555-I559 WeakPolarHBondContact O-CD1 3.31Å; V555-I559 VanDerWaalsContact O-CG1 3.26Å; V555-I559 WeakPolarHBondContact O-CG1 3.1Å; V555-I559 PolarHBondContact O-N 3.19Å; V556-I559 PolarHBondContact O-N 2.9Å; I559-I562 PolarHBondContact O-N 2.96Å; I559-Q563 PolarHBondContact O-N 2.81Å; I559-I567 HydrophobicContact CB-CD1 4.26Å; I559-I567 HydrophobicContact CB-CG1 4.42Å; I559-I567 HydrophobicContact CG2-CD1 3.85Å; I559-I567 HydrophobicContact CG2-CG1 4.09Å; I559-A589 WeakPolarHBondContact CD1-O 3.47Å; I559-M592 HydrophobicContact CD1-CB 3.97Å; I559-M592 HydrophobicContact CG2-CB 4.34Å; I559-M592 HydrophobicContact CG2-CE 4.35Å; I559-A593 HydrophobicContact CD1-CB 4Å; I559-A593 HydrophobicContact CG1-CB 4.44Å; I559-I596 HydrophobicContact CG1-CD1 4.48Å; I559-I596 HydrophobicContact CG2-CD1 4.08Å; I559-I596 HydrophobicContact CG2-CG1 4.44Å; I559-I596 HydrophobicContact CG2-CG2 4.03Å; I559-L622 HydrophobicContact CG1-CD1 4.19Å; I559-L622 HydrophobicContact CG1-CD2 3.68Å
560D98.1Very high97.1Very high20 Ų2030.5 Ų30.511%0.10719%0.185CC..Hα-helixtrans-65.8-38175.7-167.962.8000112.1K537 V556 D557 L558 I562 Q563 P564 G565 I567 Y569K537-D560 WeakPolarHBondContact CE-OD2 3.29Å; K537-D560 IonicContact NZ-OD2 3.11Å; K537-D560 PolarHBondContact NZ-OD2 3.05Å; V556-D560 PolarHBondContact O-N 3.33Å; D557-D560 PolarHBondContact O-N 3.21Å; L558-D560 VanDerWaalsContact C-N 3.34Å; D560-I562 VanDerWaalsContact C-N 3.32Å; D560-I562 PolarHBondContact O-N 2.64Å; D560-Q563 CarbonylContact O-C 3.35Å; D560-Q563 PolarHBondContact O-N 3.48Å; D560-P564 WeakPolarHBondContact O-CA 3.4Å; D560-P564 WeakPolarHBondContact O-CD 3.49Å; D560-G565 PolarHBondContact OD1-N 2.94Å; D560-I567 HydrophobicContact CB-CB 4.16Å; D560-I567 HydrophobicContact CB-CG1 3.88Å; D560-Y569 HydrophobicContact CB-CE2 4.28Å
561A97.8Very high96.9Very high21 Ų2132.1 Ų32.117%0.17419%0.192CC..Hα-helixtrans-63.3-38.1174.600000112.2T531 A535 D557 L558T531-A561 HydrophobicContact CG2-CB 4.06Å; A535-A561 HydrophobicContact CB-CB 3.52Å; D557-A561 WeakPolarHBondContact O-CB 3.47Å; D557-A561 PolarHBondContact O-N 3.49Å; L558-A561 PolarHBondContact O-N 3.23Å
562I96.4Very high96.9Very high8 Ų831.9 Ų31.94%0.04119%0.19CC..Hα-helixtrans-70.5-43175.8-68.6161.1000111W527 L558 I559 D560 I596 L622 R625 R629W527-I562 HydrophobicContact CH2-CD1 4.01Å; W527-I562 HydrophobicContact CH2-CG1 4.07Å; L558-I562 HydrophobicContact CD1-CD1 4.31Å; L558-I562 HydrophobicContact CD1-CG1 4.45Å; L558-I562 HydrophobicContact CG-CD1 3.97Å; L558-I562 WeakPolarHBondContact O-CB 3.5Å; L558-I562 WeakPolarHBondContact O-CD1 3.42Å; L558-I562 VanDerWaalsContact O-CG1 3.24Å; L558-I562 WeakPolarHBondContact O-CG1 3.46Å; L558-I562 PolarHBondContact O-N 3.02Å; I559-I562 PolarHBondContact O-N 2.96Å; D560-I562 VanDerWaalsContact C-N 3.32Å; D560-I562 PolarHBondContact O-N 2.64Å; I562-I596 HydrophobicContact CB-CD1 4.32Å; I562-I596 HydrophobicContact CD1-CD1 4.46Å; I562-I596 HydrophobicContact CG2-CD1 3.93Å; I562-L622 HydrophobicContact CD1-CB 3.82Å; I562-L622 HydrophobicContact CD1-CD2 4.05Å; I562-L622 HydrophobicContact CD1-CG 4.49Å; I562-L622 WeakPolarHBondContact CD1-O 3.45Å; I562-R625 HydrophobicContact CG2-CG 4.32Å; I562-R629 WeakPolarHBondContact O-CD 3.38Å; I562-R629 PolarHBondContact O-NE 3.39Å; I562-R629 VanDerWaalsContact O-NE 3.16Å; I562-R629 PolarHBondContact O-NH1 3.4Å
563Q95.3Very high96.8Very high14 Ų1437 Ų377%0.06521%0.212CC..SBendtrans-133.286.8-179.9-177162.7-42.600110.5E195 I559 D560 G565 C566 I596 R629E195-Q563 PolarHBondContact OE1-NE2 2.85Å; I559-Q563 PolarHBondContact O-N 2.81Å; D560-Q563 CarbonylContact O-C 3.35Å; D560-Q563 PolarHBondContact O-N 3.48Å; Q563-G565 PolarHBondContact O-N 2.88Å; Q563-C566 HydrophobicContact CB-CB 4.41Å; Q563-C566 HydrophobicContact CG-CB 3.97Å; Q563-C566 WeakPolarHBondContact O-CB 3.42Å; Q563-C566 PolarHBondContact O-N 3.47Å; Q563-C566 PolarHBondContact O-SG 3.23Å; Q563-I596 HydrophobicContact CB-CG2 4.12Å; Q563-I596 HydrophobicContact CG-CG2 4.46Å; Q563-R629 VanDerWaalsContact CG-NH2 3.34Å
564P95.7Very high96.6Very high96 Ų9639.8 Ų39.862%0.62324%0.235SC*.THydrogen-bonded Turntrans-56.2132.6-174.6-29.936.7000113.4D560 C566D560-P564 WeakPolarHBondContact O-CA 3.4Å; D560-P564 WeakPolarHBondContact O-CD 3.49Å; P564-C566 VanDerWaalsContact C-N 3.33Å
565G93Very high96.3Very high69 Ų6942.8 Ų42.871%0.71127%0.266SS*.THydrogen-bonded Turntrans82.54176.500000114.7D560 Q563D560-G565 PolarHBondContact OD1-N 2.94Å; Q563-G565 PolarHBondContact O-N 2.88Å
566C93.2Very high96Very high12 Ų1251 Ų518%0.08131%0.309CS..  trans-78.7-23.9175.573.70000113Q563 P564 M592 R595 I596Q563-C566 HydrophobicContact CB-CB 4.41Å; Q563-C566 HydrophobicContact CG-CB 3.97Å; Q563-C566 WeakPolarHBondContact O-CB 3.42Å; Q563-C566 PolarHBondContact O-N 3.47Å; Q563-C566 PolarHBondContact O-SG 3.23Å; P564-C566 VanDerWaalsContact C-N 3.33Å; C566-M592 HydrophobicContact CB-CE 4.05Å; C566-M592 VanDerWaalsContact O-CE 3.25Å; C566-M592 WeakPolarHBondContact O-CE 3.4Å; C566-R595 PolarHBondContact O-NH2 2.94Å; C566-I596 HydrophobicContact CB-CG2 4.5Å
567I96.9Very high95.8Very high12 Ų1252.5 Ų52.56%0.06232%0.318CS..  trans-87.4128.9179.6-66.5-67.9000109.9V556 I559 D560 Y569 V572 Y588 M592V556-I567 HydrophobicContact CG1-CD1 4.18Å; V556-I567 HydrophobicContact CG1-CG1 4.23Å; V556-I567 HydrophobicContact CG1-CG2 3.61Å; I559-I567 HydrophobicContact CB-CD1 4.26Å; I559-I567 HydrophobicContact CB-CG1 4.42Å; I559-I567 HydrophobicContact CG2-CD1 3.85Å; I559-I567 HydrophobicContact CG2-CG1 4.09Å; D560-I567 HydrophobicContact CB-CB 4.16Å; D560-I567 HydrophobicContact CB-CG1 3.88Å; I567-Y569 HydrophobicContact CB-CD2 4.28Å; I567-Y569 HydrophobicContact CB-CE2 4.01Å; I567-Y569 HydrophobicContact CG2-CD1 4.19Å; I567-Y569 HydrophobicContact CG2-CD2 3.65Å; I567-Y569 HydrophobicContact CG2-CE1 4.2Å; I567-Y569 HydrophobicContact CG2-CE2 3.65Å; I567-Y569 HydrophobicContact CG2-CG 3.94Å; I567-V572 HydrophobicContact CG2-CG2 4.25Å; I567-Y588 HydrophobicContact CD1-CE1 4.06Å; I567-Y588 HydrophobicContact CG2-CE1 4.33Å; I567-M592 HydrophobicContact CD1-CB 3.92Å; I567-M592 HydrophobicContact CD1-CE 3.6Å; I567-M592 HydrophobicContact CD1-CG 3.71Å; I567-M592 HydrophobicContact CD1-SD 4.35Å; I567-M592 HydrophobicContact CG1-CE 4.37Å
568N95.7Very high95.8Very high71 Ų7155.6 Ų55.638%0.3834%0.337SS..  trans-91.298164.4-175.8-4.9000109.3D570 L571 Y588N568-D570 PolarHBondContact O-N 3.09Å; N568-D570 VanDerWaalsContact OD1-CB 3.31Å; N568-D570 WeakPolarHBondContact OD1-CB 3.39Å; N568-D570 PolarHBondContact OD1-N 3.3Å; N568-D570 VanDerWaalsContact OD1-N 3.08Å; N568-L571 HydrophobicContact CB-CD1 3.99Å; N568-L571 HydrophobicContact CB-CG 4.16Å; N568-L571 WeakPolarHBondContact O-CB 3.3Å; N568-L571 PolarHBondContact O-N 3.25Å; N568-L571 VanDerWaalsContact O-N 3.08Å; N568-Y588 PolarHBondContact N-OH 3Å; N568-Y588 VanDerWaalsContact N-OH 3.14Å
569Y96.9Very high95.7Very high83 Ų8361 Ų6133%0.32536%0.362SS..G310 helixtrans-64.4-18.9-178.8-79.5-85.3000113.8K537 V556 D557 D560 I567 L571 V572K537-Y569 PolarHBondContact NZ-OH 3.29Å; V556-Y569 HydrophobicContact CG1-CD1 4.48Å; V556-Y569 HydrophobicContact CG1-CE1 3.88Å; D557-Y569 VanDerWaalsContact OD1-CE1 3.31Å; D557-Y569 WeakPolarHBondContact OD1-CE1 3.01Å; D557-Y569 PolarHBondContact OD1-OH 3.27Å; D560-Y569 HydrophobicContact CB-CE2 4.28Å; I567-Y569 HydrophobicContact CB-CD2 4.28Å; I567-Y569 HydrophobicContact CB-CE2 4.01Å; I567-Y569 HydrophobicContact CG2-CD1 4.19Å; I567-Y569 HydrophobicContact CG2-CD2 3.65Å; I567-Y569 HydrophobicContact CG2-CE1 4.2Å; I567-Y569 HydrophobicContact CG2-CE2 3.65Å; I567-Y569 HydrophobicContact CG2-CG 3.94Å; Y569-L571 PolarHBondContact O-N 2.96Å; Y569-V572 PolarHBondContact O-N 3.42Å
570D96.4Very high95.6Very high143 Ų14366.7 Ų66.777%0.76539%0.392SS*.G310 helixtrans-63.8-22173.7-61.7-26.9000112.2N568N568-D570 PolarHBondContact O-N 3.09Å; N568-D570 VanDerWaalsContact OD1-CB 3.31Å; N568-D570 WeakPolarHBondContact OD1-CB 3.39Å; N568-D570 PolarHBondContact OD1-N 3.3Å; N568-D570 VanDerWaalsContact OD1-N 3.08Å
571L94.6Very high95.6Very high53 Ų5367.6 Ų67.628%0.27740%0.398SS..G310 helixtrans-90.5-7177.8-54.9179.4000112.9R181 N568 Y569 Y588R181-L571 HydrophobicContact CB-CD1 4Å; R181-L571 HydrophobicContact CG-CD1 4.41Å; R181-L571 PolarHBondContact NH1-O 3.17Å; R181-L571 VanDerWaalsContact NH1-O 3.17Å; N568-L571 HydrophobicContact CB-CD1 3.99Å; N568-L571 HydrophobicContact CB-CG 4.16Å; N568-L571 WeakPolarHBondContact O-CB 3.3Å; N568-L571 PolarHBondContact O-N 3.25Å; N568-L571 VanDerWaalsContact O-N 3.08Å; Y569-L571 PolarHBondContact O-N 2.96Å; L571-Y588 HydrophobicContact CD1-CE2 4.32Å
572V97.1Very high95.7Very high14 Ų1468.4 Ų68.49%0.08540%0.397CS..SBendtrans-104.6122.7-176-176.60000109L553 V556 I567 Y569 Y588L553-V572 HydrophobicContact CD2-CG1 3.71Å; V556-V572 HydrophobicContact CG1-CG1 4.31Å; V556-V572 HydrophobicContact CG1-CG2 4.01Å; V556-V572 HydrophobicContact CG2-CG1 4.47Å; I567-V572 HydrophobicContact CG2-CG2 4.25Å; Y569-V572 PolarHBondContact O-N 3.42Å; V572-Y588 HydrophobicContact CG2-CD1 3.86Å; V572-Y588 HydrophobicContact CG2-CE1 3.86Å
573K96.2Very high95.7Very high107 Ų10770.3 Ų70.347%0.46541%0.406SS..  trans-81.7140.2177.9-57.5-62.3179.6-175.50109.9L577 D581 N585K573-L577 HydrophobicContact CB-CD2 3.67Å; K573-L577 WeakPolarHBondContact O-CD2 3.42Å; K573-D581 HydrophobicContact CB-CB 4.09Å; K573-D581 HydrophobicContact CG-CB 4.32Å; K573-N585 PolarHBondContact N-OD1 3.09Å; K573-N585 PolarHBondContact O-ND2 2.84Å
574S93.9Very high95.9Very high96 Ų9673 Ų7367%0.67142%0.421SS*.  trans-135.4161178.664.10000111.8
575G92.2Very high96Very high65 Ų6568.4 Ų68.467%0.6739%0.391SS*.SBendtrans95.2-134.2179.700000112.3L577G575-L577 PolarHBondContact O-N 3.3Å; G575-L577 VanDerWaalsContact O-N 3.14Å
576N92.2Very high96.2Very high173 Ų17365.1 Ų65.193%0.92536%0.357SS*.SBendtrans-77.297.5175.2-71.8-15.5000109.6
577L95.7Very high96.5Very high33 Ų3366.1 Ų66.117%0.17336%0.36CS..  trans-90.1132.1-177.6-57.6-179.3000111.7K573 G575 D581 K582K573-L577 HydrophobicContact CB-CD2 3.67Å; K573-L577 WeakPolarHBondContact O-CD2 3.42Å; G575-L577 PolarHBondContact O-N 3.3Å; G575-L577 VanDerWaalsContact O-N 3.14Å; L577-D581 HydrophobicContact CB-CB 4.06Å; L577-D581 HydrophobicContact CD2-CB 3.97Å; L577-K582 HydrophobicContact CB-CG 3.98Å; L577-K582 HydrophobicContact CD1-CG 4.26Å
578T97.2Very high96.5Very high77 Ų7765.8 Ų65.847%0.47236%0.358SS..  trans-72.7167.7163.465.50000110.9D580 D581 K582T578-D580 VanDerWaalsContact C-N 3.26Å; T578-D580 PolarHBondContact O-N 2.87Å; T578-D581 WeakPolarHBondContact CB-OD2 3.15Å; T578-D581 PolarHBondContact N-OD2 2.93Å; T578-D581 PolarHBondContact O-N 3.48Å; T578-D581 PolarHBondContact OG1-N 3.31Å; T578-D581 VanDerWaalsContact OG1-N 3.12Å; T578-D581 PolarHBondContact OG1-OD2 3.44Å; T578-K582 WeakPolarHBondContact O-CG 3.4Å; T578-K582 PolarHBondContact O-N 3.29Å
579E96.6Very high96.7Very high115 Ų11562.4 Ų62.454%0.53734%0.34SS..Hα-helixtrans-62.1-35.4174.1-64.2-56118.600111.9K582 H583E579-K582 PolarHBondContact O-N 3.21Å; E579-K582 IonicContact OE1-NZ 2.83Å; E579-K582 PolarHBondContact OE1-NZ 3.26Å; E579-H583 WeakPolarHBondContact O-CB 3.33Å; E579-H583 PolarHBondContact O-N 3.16Å
580D97.3Very high96.8Very high118 Ų11858.6 Ų58.663%0.63133%0.325SS*.Hα-helixtrans-66.6-38.6174.3-68.8-24.2000112.1T578 H583 N584T578-D580 VanDerWaalsContact C-N 3.26Å; T578-D580 PolarHBondContact O-N 2.87Å; D580-H583 PolarHBondContact O-N 3.3Å; D580-N584 WeakPolarHBondContact O-CB 3.44Å; D580-N584 VanDerWaalsContact O-CG 3.29Å; D580-N584 PolarHBondContact O-N 3.33Å; D580-N584 PolarHBondContact O-ND2 2.89Å
581D98.1Very high96.9Very high40 Ų4052 Ų5221%0.21429%0.29CS..Hα-helixtrans-63-43.5174.7-65.5-51.9000111.2K573 L577 T578 N584 N585K573-D581 HydrophobicContact CB-CB 4.09Å; K573-D581 HydrophobicContact CG-CB 4.32Å; L577-D581 HydrophobicContact CB-CB 4.06Å; L577-D581 HydrophobicContact CD2-CB 3.97Å; T578-D581 WeakPolarHBondContact CB-OD2 3.15Å; T578-D581 PolarHBondContact N-OD2 2.93Å; T578-D581 PolarHBondContact O-N 3.48Å; T578-D581 PolarHBondContact OG1-N 3.31Å; T578-D581 VanDerWaalsContact OG1-N 3.12Å; T578-D581 PolarHBondContact OG1-OD2 3.44Å; D581-N584 PolarHBondContact O-N 3.41Å; D581-N585 WeakPolarHBondContact O-CB 3.32Å; D581-N585 PolarHBondContact O-N 2.74Å
582K98.3Very high97Very high38 Ų3849.4 Ų49.417%0.16528%0.277CS..Hα-helixtrans-61.2-44.9176-69.4176.9-172.9168.80111.3S550 L577 T578 E579 N585 A586 V608S550-K582 WeakPolarHBondContact O-CB 3.28Å; S550-K582 WeakPolarHBondContact O-CG 3.42Å; L577-K582 HydrophobicContact CB-CG 3.98Å; L577-K582 HydrophobicContact CD1-CG 4.26Å; T578-K582 WeakPolarHBondContact O-CG 3.4Å; T578-K582 PolarHBondContact O-N 3.29Å; E579-K582 PolarHBondContact O-N 3.21Å; E579-K582 IonicContact OE1-NZ 2.83Å; E579-K582 PolarHBondContact OE1-NZ 3.26Å; K582-N585 PolarHBondContact O-N 3.49Å; K582-A586 WeakPolarHBondContact O-CB 3.19Å; K582-A586 PolarHBondContact O-N 3.28Å; K582-V608 HydrophobicContact CB-CG1 4.23Å; K582-V608 HydrophobicContact CB-CG2 4.2Å
583H97.9Very high97.1Very high48 Ų4848.8 Ų48.822%0.22227%0.273CS..Hα-helixtrans-62.3-45.2177.8-168.751.6000112.2E579 D580 N585 A586 K587 E605 V608E579-H583 WeakPolarHBondContact O-CB 3.33Å; E579-H583 PolarHBondContact O-N 3.16Å; D580-H583 PolarHBondContact O-N 3.3Å; H583-N585 PolarHBondContact O-N 3.12Å; H583-A586 PolarHBondContact O-N 3.09Å; H583-K587 WeakPolarHBondContact NE2-CE 3.39Å; H583-K587 PolarHBondContact O-N 3.19Å; H583-E605 IonicContact CE1-OE1 2.96Å; H583-E605 PolarHBondContact CE1-OE1 2.85Å; H583-E605 IonicContact NE2-OE1 3.24Å; H583-V608 HydrophobicContact CB-CG2 4.46Å
584N98Very high97.2Very high70 Ų7043.9 Ų43.937%0.37425%0.251SS..Hα-helixtrans-64.1-38.4176.1-75.4-45.2000112.4R181 D580 D581 Y588R181-N584 PolarHBondContact NH2-O 2.88Å; D580-N584 WeakPolarHBondContact O-CB 3.44Å; D580-N584 VanDerWaalsContact O-CG 3.29Å; D580-N584 PolarHBondContact O-N 3.33Å; D580-N584 PolarHBondContact O-ND2 2.89Å; D581-N584 PolarHBondContact O-N 3.41Å; N584-Y588 PolarHBondContact O-N 3.28Å
585N98.5Very high97.4Very high0 Ų040 Ų400%022%0.222CC..Hα-helixtrans-64.7-41.3172.6-77.3-3.7000111.4S551 K573 D581 K582 H583 Y588 A589S551-N585 WeakPolarHBondContact O-CB 3.4Å; S551-N585 PolarHBondContact O-ND2 2.93Å; S551-N585 VanDerWaalsContact O-ND2 3.1Å; K573-N585 PolarHBondContact N-OD1 3.09Å; K573-N585 PolarHBondContact O-ND2 2.84Å; D581-N585 WeakPolarHBondContact O-CB 3.32Å; D581-N585 PolarHBondContact O-N 2.74Å; K582-N585 PolarHBondContact O-N 3.49Å; H583-N585 PolarHBondContact O-N 3.12Å; N585-Y588 PolarHBondContact O-N 3.04Å; N585-A589 VanDerWaalsContact O-CB 3.3Å; N585-A589 WeakPolarHBondContact O-CB 3.21Å; N585-A589 PolarHBondContact O-N 3.28Å
586A98.4Very high97.5Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-66.6-43-179.700000112.6S552 K582 H583 Y588 A589 V590 P604 L607 V608S552-A586 VanDerWaalsContact OG-CA 3.31Å; S552-A586 WeakPolarHBondContact OG-CA 3.46Å; S552-A586 WeakPolarHBondContact OG-CB 3.24Å; K582-A586 WeakPolarHBondContact O-CB 3.19Å; K582-A586 PolarHBondContact O-N 3.28Å; H583-A586 PolarHBondContact O-N 3.09Å; A586-Y588 VanDerWaalsContact C-N 3.29Å; A586-Y588 PolarHBondContact O-N 3.38Å; A586-A589 PolarHBondContact O-N 3.5Å; A586-V590 WeakPolarHBondContact O-CG2 3.34Å; A586-V590 PolarHBondContact O-N 2.94Å; A586-P604 HydrophobicContact CB-CB 3.78Å; A586-P604 WeakPolarHBondContact CB-O 3.49Å; A586-L607 HydrophobicContact CB-CB 4.24Å; A586-L607 HydrophobicContact CB-CD1 4.38Å; A586-V608 HydrophobicContact CB-CG2 3.87Å
587K98.2Very high97.6Very high33 Ų3330 Ų3014%0.14316%0.159CC..Hα-helixtrans-54.5-46.9172.7-79.7-173.4168.4-169.90111.4D176 D179 H583 S591 P604D176-K587 IonicContact OD1-NZ 3.52Å; D176-K587 PolarHBondContact OD1-NZ 3.03Å; D176-K587 IonicContact OD2-NZ 3.7Å; D176-K587 PolarHBondContact OD2-NZ 2.66Å; D179-K587 HydrophobicContact CB-CB 4.47Å; D179-K587 WeakPolarHBondContact OD2-CB 3.43Å; H583-K587 WeakPolarHBondContact NE2-CE 3.39Å; H583-K587 PolarHBondContact O-N 3.19Å; K587-S591 WeakPolarHBondContact O-CB 3.46Å; K587-S591 PolarHBondContact O-N 3.48Å; K587-S591 PolarHBondContact O-OG 3.5Å; K587-P604 HydrophobicContact CB-CG 4.36Å; K587-P604 HydrophobicContact CG-CB 3.98Å; K587-P604 HydrophobicContact CG-CG 3.75Å
588Y98.5Very high97.5Very high4 Ų428.5 Ų28.52%0.01615%0.152CC..Hα-helixtrans-65.8-48177.5-173.3-118.2000111.6D179 R181 I567 N568 L571 V572 N584 N585 A586 V590 S591 M592D179-Y588 PolarHBondContact OD2-N 3.44Å; R181-Y588 HydrophobicContact CB-CD2 4.07Å; R181-Y588 HydrophobicContact CB-CE2 4.15Å; I567-Y588 HydrophobicContact CD1-CE1 4.06Å; I567-Y588 HydrophobicContact CG2-CE1 4.33Å; N568-Y588 PolarHBondContact N-OH 3Å; N568-Y588 VanDerWaalsContact N-OH 3.14Å; L571-Y588 HydrophobicContact CD1-CE2 4.32Å; V572-Y588 HydrophobicContact CG2-CD1 3.86Å; V572-Y588 HydrophobicContact CG2-CE1 3.86Å; N584-Y588 PolarHBondContact O-N 3.28Å; N585-Y588 PolarHBondContact O-N 3.04Å; A586-Y588 VanDerWaalsContact C-N 3.29Å; A586-Y588 PolarHBondContact O-N 3.38Å; Y588-V590 PolarHBondContact O-N 2.78Å; Y588-S591 PolarHBondContact O-N 3.26Å; Y588-M592 HydrophobicContact CD1-CG 4.06Å; Y588-M592 HydrophobicContact CD2-CG 4Å; Y588-M592 HydrophobicContact CE1-CG 3.8Å; Y588-M592 HydrophobicContact CE2-CG 3.71Å; Y588-M592 HydrophobicContact CE2-SD 3.93Å; Y588-M592 HydrophobicContact CG-CG 4.16Å; Y588-M592 WeakPolarHBondContact O-CB 3.35Å; Y588-M592 WeakPolarHBondContact O-CG 3.47Å; Y588-M592 PolarHBondContact O-N 2.89Å
589A98.5Very high97.2Very high0 Ų031.2 Ų31.20%015%0.153CC..Hα-helixtrans-60.4-45.1-178.300000113V555 V556 I559 N585 A586 M592 A593V555-A589 HydrophobicContact CB-CB 4.42Å; V555-A589 HydrophobicContact CG1-CB 4.06Å; V556-A589 HydrophobicContact CG2-CB 3.87Å; I559-A589 WeakPolarHBondContact CD1-O 3.47Å; N585-A589 VanDerWaalsContact O-CB 3.3Å; N585-A589 WeakPolarHBondContact O-CB 3.21Å; N585-A589 PolarHBondContact O-N 3.28Å; A586-A589 PolarHBondContact O-N 3.5Å; A589-M592 PolarHBondContact O-N 3.4Å; A589-A593 WeakPolarHBondContact O-CB 3.43Å; A589-A593 PolarHBondContact O-N 3.25Å
590V98.4Very high97.2Very high4 Ų425.9 Ų25.92%0.02413%0.128CC..Hα-helixtrans-62.6-46.5177.5170.20000110.7A586 Y588 M592 A593 R594 V600 P604 L607A586-V590 WeakPolarHBondContact O-CG2 3.34Å; A586-V590 PolarHBondContact O-N 2.94Å; Y588-V590 PolarHBondContact O-N 2.78Å; V590-M592 VanDerWaalsContact C-N 3.33Å; V590-M592 PolarHBondContact O-N 2.96Å; V590-A593 PolarHBondContact O-N 3.01Å; V590-R594 VanDerWaalsContact CG1-CZ 3.5Å; V590-R594 WeakPolarHBondContact O-CG 3.18Å; V590-R594 PolarHBondContact O-N 2.94Å; V590-R594 VanDerWaalsContact O-N 3.09Å; V590-V600 HydrophobicContact CG1-CG1 4.29Å; V590-P604 HydrophobicContact CG2-CG 4.46Å; V590-L607 HydrophobicContact CG2-CD1 3.97Å
591S98.6Very high97Very high3 Ų321 Ų212%0.02110%0.101CC..Hα-helixtrans-63.8-41177.9-56.60000111.5D179 L199 K587 Y588 R594 R595D179-S591 WeakPolarHBondContact CB-OG 3.45Å; D179-S591 PolarHBondContact N-OG 3.48Å; L199-S591 VanDerWaalsContact CD1-O 3.32Å; L199-S591 WeakPolarHBondContact CD1-O 3.15Å; K587-S591 WeakPolarHBondContact O-CB 3.46Å; K587-S591 PolarHBondContact O-N 3.48Å; K587-S591 PolarHBondContact O-OG 3.5Å; Y588-S591 PolarHBondContact O-N 3.26Å; S591-R594 PolarHBondContact O-N 3.36Å; S591-R595 WeakPolarHBondContact O-CB 3.31Å; S591-R595 PolarHBondContact O-N 3.36Å
592M98.4Very high96.9Very high0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-64-40.8176.4-79.4-54.5-54.700112.9A182 I559 C566 I567 Y588 A589 V590 R595 I596A182-M592 HydrophobicContact CB-SD 4.33Å; I559-M592 HydrophobicContact CD1-CB 3.97Å; I559-M592 HydrophobicContact CG2-CB 4.34Å; I559-M592 HydrophobicContact CG2-CE 4.35Å; C566-M592 HydrophobicContact CB-CE 4.05Å; C566-M592 VanDerWaalsContact O-CE 3.25Å; C566-M592 WeakPolarHBondContact O-CE 3.4Å; I567-M592 HydrophobicContact CD1-CB 3.92Å; I567-M592 HydrophobicContact CD1-CE 3.6Å; I567-M592 HydrophobicContact CD1-CG 3.71Å; I567-M592 HydrophobicContact CD1-SD 4.35Å; I567-M592 HydrophobicContact CG1-CE 4.37Å; Y588-M592 HydrophobicContact CD1-CG 4.06Å; Y588-M592 HydrophobicContact CD2-CG 4Å; Y588-M592 HydrophobicContact CE1-CG 3.8Å; Y588-M592 HydrophobicContact CE2-CG 3.71Å; Y588-M592 HydrophobicContact CE2-SD 3.93Å; Y588-M592 HydrophobicContact CG-CG 4.16Å; Y588-M592 WeakPolarHBondContact O-CB 3.35Å; Y588-M592 WeakPolarHBondContact O-CG 3.47Å; Y588-M592 PolarHBondContact O-N 2.89Å; A589-M592 PolarHBondContact O-N 3.4Å; V590-M592 VanDerWaalsContact C-N 3.33Å; V590-M592 PolarHBondContact O-N 2.96Å; M592-R595 VanDerWaalsContact CE-CZ 3.43Å; M592-R595 PolarHBondContact O-N 2.78Å; M592-R595 PolarHBondContact SD-NH2 2.87Å; M592-R595 VanDerWaalsContact SD-NH2 3.38Å; M592-I596 PolarHBondContact O-N 3.24Å; M592-I596 VanDerWaalsContact O-N 3.08Å
593A98.4Very high96.7Very high0 Ų018.8 Ų18.80%09%0.091CC..Hα-helixtrans-60.4-45.8173.500000111.2I559 A589 V590 R595 I596 G597 A598 V600 L622I559-A593 HydrophobicContact CD1-CB 4Å; I559-A593 HydrophobicContact CG1-CB 4.44Å; A589-A593 WeakPolarHBondContact O-CB 3.43Å; A589-A593 PolarHBondContact O-N 3.25Å; V590-A593 PolarHBondContact O-N 3.01Å; A593-R595 PolarHBondContact O-N 2.73Å; A593-I596 WeakPolarHBondContact O-CG1 3.5Å; A593-I596 PolarHBondContact O-N 2.92Å; A593-G597 PolarHBondContact O-N 3.47Å; A593-A598 HydrophobicContact CB-CB 4.38Å; A593-A598 VanDerWaalsContact O-CB 3.29Å; A593-A598 WeakPolarHBondContact O-CB 3.41Å; A593-A598 PolarHBondContact O-N 2.91Å; A593-V600 HydrophobicContact CB-CG2 3.77Å; A593-L622 HydrophobicContact CB-CD2 3.93Å
594R98Very high96.7Very high5 Ų517.2 Ų17.22%0.0199%0.085CC..Hα-helixtrans-61.6-41.7175.2-69.5178.7-171.31523.9112T177 L199 N202 S203 V590 S591 I596 G597 A598 V600T177-R594 PolarHBondContact O-NH1 3.2Å; L199-R594 HydrophobicContact CD1-CB 4.13Å; N202-R594 HydrophobicContact CB-CB 3.75Å; N202-R594 HydrophobicContact CB-CG 3.93Å; N202-R594 PolarHBondContact ND2-O 3.19Å; S203-R594 WeakPolarHBondContact OG-CD 3.4Å; V590-R594 VanDerWaalsContact CG1-CZ 3.5Å; V590-R594 WeakPolarHBondContact O-CG 3.18Å; V590-R594 PolarHBondContact O-N 2.94Å; V590-R594 VanDerWaalsContact O-N 3.09Å; S591-R594 PolarHBondContact O-N 3.36Å; R594-I596 PolarHBondContact O-N 2.9Å; R594-G597 WeakPolarHBondContact O-CA 3.4Å; R594-G597 PolarHBondContact O-N 2.89Å; R594-A598 WeakPolarHBondContact CA-O 3.49Å; R594-V600 HydrophobicContact CG-CB 4.35Å; R594-V600 PolarHBondContact NE-O 3.4Å; R594-V600 PolarHBondContact NH2-O 3.15Å
595R97.4Very high96.6Very high13 Ų1316.6 Ų16.65%0.0498%0.08CC..Hα-helixtrans-61.4-42.3179.4-169.2172.583.2-179.78.6113A182 E195 N198 L199 C566 S591 M592 A593 G597A182-R595 VanDerWaalsContact O-CD 3.22Å; A182-R595 WeakPolarHBondContact O-CD 3.47Å; A182-R595 PolarHBondContact O-NH1 2.71Å; E195-R595 HydrophobicContact CB-CG 3.82Å; E195-R595 HydrophobicContact CG-CG 4.49Å; E195-R595 WeakPolarHBondContact O-CG 3.38Å; E195-R595 IonicContact OE2-NE 2.68Å; N198-R595 WeakPolarHBondContact CB-O 3.4Å; L199-R595 HydrophobicContact CB-CB 4.09Å; L199-R595 HydrophobicContact CB-CG 4.18Å; L199-R595 HydrophobicContact CD1-CB 4.35Å; C566-R595 PolarHBondContact O-NH2 2.94Å; S591-R595 WeakPolarHBondContact O-CB 3.31Å; S591-R595 PolarHBondContact O-N 3.36Å; M592-R595 VanDerWaalsContact CE-CZ 3.43Å; M592-R595 PolarHBondContact O-N 2.78Å; M592-R595 PolarHBondContact SD-NH2 2.87Å; M592-R595 VanDerWaalsContact SD-NH2 3.38Å; A593-R595 PolarHBondContact O-N 2.73Å; R595-G597 PolarHBondContact O-N 3.32Å
596I95.9Very high96.6Very high2 Ų217 Ų171%0.018%0.082CC..THydrogen-bonded Turntrans-74.2-5176.367.3156.9000112.9I559 I562 Q563 C566 M592 A593 R594 L622 R625I559-I596 HydrophobicContact CG1-CD1 4.48Å; I559-I596 HydrophobicContact CG2-CD1 4.08Å; I559-I596 HydrophobicContact CG2-CG1 4.44Å; I559-I596 HydrophobicContact CG2-CG2 4.03Å; I562-I596 HydrophobicContact CB-CD1 4.32Å; I562-I596 HydrophobicContact CD1-CD1 4.46Å; I562-I596 HydrophobicContact CG2-CD1 3.93Å; Q563-I596 HydrophobicContact CB-CG2 4.12Å; Q563-I596 HydrophobicContact CG-CG2 4.46Å; C566-I596 HydrophobicContact CB-CG2 4.5Å; M592-I596 PolarHBondContact O-N 3.24Å; M592-I596 VanDerWaalsContact O-N 3.08Å; A593-I596 WeakPolarHBondContact O-CG1 3.5Å; A593-I596 PolarHBondContact O-N 2.92Å; R594-I596 PolarHBondContact O-N 2.9Å; I596-L622 HydrophobicContact CD1-CD2 3.93Å; I596-R625 HydrophobicContact CD1-CG 4.14Å; I596-R625 HydrophobicContact CG1-CG 4.46Å; I596-R625 WeakPolarHBondContact O-CD 3.22Å; I596-R625 PolarHBondContact O-NE 2.89Å
597G93.6Very high96.6Very high26 Ų2617 Ų1727%0.2688%0.082SC..THydrogen-bonded Turntrans103.510.8175.900000115.5N202 A593 R594 R595N202-G597 WeakPolarHBondContact ND2-CA 3.35Å; A593-G597 PolarHBondContact O-N 3.47Å; R594-G597 WeakPolarHBondContact O-CA 3.4Å; R594-G597 PolarHBondContact O-N 2.89Å; R595-G597 PolarHBondContact O-N 3.32Å
598A94Very high96.5Very high2 Ų216.4 Ų16.42%0.0178%0.081CC..  trans-81.7130.2174.200000110.9A593 R594 V600 C621 L622 R625A593-A598 HydrophobicContact CB-CB 4.38Å; A593-A598 VanDerWaalsContact O-CB 3.29Å; A593-A598 WeakPolarHBondContact O-CB 3.41Å; A593-A598 PolarHBondContact O-N 2.91Å; R594-A598 WeakPolarHBondContact CA-O 3.49Å; A598-V600 VanDerWaalsContact C-N 3.34Å; A598-V600 HydrophobicContact CB-CG2 4.1Å; A598-V600 PolarHBondContact O-N 2.98Å; A598-C621 HydrophobicContact CB-CB 4.3Å; A598-L622 HydrophobicContact CB-CD2 4.06Å; A598-R625 HydrophobicContact CB-CB 4.28Å
599R91.2Very high96.5Very high134 Ų13420.3 Ų20.351%0.50610%0.1SC..  trans-8077.5179.9-67.7-177.9180179.1-1.7111.2C621R599-C621 PolarHBondContact O-SG 2.98Å
600V94.9Very high96.5Very high3 Ų320.6 Ų20.62%0.01810%0.102CC..  trans-96.3113.5-176.7178.40000111.4V590 A593 R594 A598 A602 V618 C621V590-V600 HydrophobicContact CG1-CG1 4.29Å; A593-V600 HydrophobicContact CB-CG2 3.77Å; R594-V600 HydrophobicContact CG-CB 4.35Å; R594-V600 PolarHBondContact NE-O 3.4Å; R594-V600 PolarHBondContact NH2-O 3.15Å; A598-V600 VanDerWaalsContact C-N 3.34Å; A598-V600 HydrophobicContact CB-CG2 4.1Å; A598-V600 PolarHBondContact O-N 2.98Å; V600-A602 HydrophobicContact CG1-CB 3.97Å; V600-V618 HydrophobicContact CG1-CG2 3.93Å; V600-C621 HydrophobicContact CG2-CB 4.17Å
601Y94.6Very high96.4Very high15 Ų1524.6 Ų24.66%0.05912%0.119CC..  trans-90.3-18.9172.2-63.5-91.5000113.2S205 W406 S409 M502S205-Y601 WeakPolarHBondContact O-CE1 3.44Å; S205-Y601 PolarHBondContact OG-OH 2.88Å; S205-Y601 VanDerWaalsContact OG-OH 3.13Å; W406-Y601 HydrophobicContact CB-CD1 3.98Å; W406-Y601 HydrophobicContact CB-CE1 4.03Å; W406-Y601 HydrophobicContact CB-CG 4.33Å; W406-Y601 AromaticContact CD1-CE2 3.75Å; W406-Y601 AromaticContact CD1-CZ 3.74Å; S409-Y601 WeakPolarHBondContact OG-CE1 3.5Å; S409-Y601 PolarHBondContact OG-OH 3.15Å; M502-Y601 HydrophobicContact CE-CD2 4.16Å; M502-Y601 HydrophobicContact CE-CG 4.28Å
602A94.8Very high96.2Very high0 Ų027 Ų270%013%0.134CC..  trans-57.2144.4177.100000111.8V600 M614 V618V600-A602 HydrophobicContact CG1-CB 3.97Å; A602-M614 HydrophobicContact CB-CB 4.17Å; A602-M614 HydrophobicContact CB-CE 3.77Å; A602-V618 HydrophobicContact CB-CG2 3.43Å; A602-V618 VanDerWaalsContact CB-CG2 3.43Å
603L95.4Very high96Very high33 Ų3330.5 Ų30.517%0.17315%0.149CC..  trans-92.9157.4177-58.6179.7000110.6R398 R401 E605 D606R398-L603 HydrophobicContact CB-CD1 4.16Å; R398-L603 HydrophobicContact CG-CD1 4.38Å; R401-L603 VanDerWaalsContact NH2-CD1 3.27Å; L603-E605 WeakPolarHBondContact CB-OE2 3.32Å; L603-E605 PolarHBondContact O-N 2.72Å; L603-D606 PolarHBondContact N-OD2 2.99Å; L603-D606 WeakPolarHBondContact O-CB 3.41Å; L603-D606 PolarHBondContact O-N 2.79Å
604P96.9Very high95.8Very high15 Ų1530.8 Ų30.810%0.09715%0.151CC..Hα-helixtrans-50.7-41.7176.3-29.938.3000113.3A586 K587 V590 D606 L607 V608A586-P604 HydrophobicContact CB-CB 3.78Å; A586-P604 WeakPolarHBondContact CB-O 3.49Å; K587-P604 HydrophobicContact CB-CG 4.36Å; K587-P604 HydrophobicContact CG-CB 3.98Å; K587-P604 HydrophobicContact CG-CG 3.75Å; V590-P604 HydrophobicContact CG2-CG 4.46Å; P604-D606 PolarHBondContact O-N 3.12Å; P604-L607 WeakPolarHBondContact O-CB 3.23Å; P604-L607 PolarHBondContact O-N 3.43Å; P604-L607 VanDerWaalsContact O-N 3.12Å; P604-V608 PolarHBondContact O-N 3.06Å
605E97Very high95.8Very high57 Ų5730.5 Ų30.527%0.26615%0.15SC..Hα-helixtrans-64.5-27.2-179.2-5978.5-174.600112.6R398 H583 L603 L607 V608 E609R398-E605 VanDerWaalsContact CZ-CB 3.44Å; H583-E605 IonicContact CE1-OE1 2.96Å; H583-E605 PolarHBondContact CE1-OE1 2.85Å; H583-E605 IonicContact NE2-OE1 3.24Å; L603-E605 WeakPolarHBondContact CB-OE2 3.32Å; L603-E605 PolarHBondContact O-N 2.72Å; E605-L607 VanDerWaalsContact C-N 3.29Å; E605-L607 PolarHBondContact O-N 3.38Å; E605-V608 PolarHBondContact O-N 3.34Å; E605-E609 VanDerWaalsContact O-CB 3.32Å; E605-E609 WeakPolarHBondContact O-CB 3.18Å; E605-E609 WeakPolarHBondContact O-CG 3.34Å; E605-E609 PolarHBondContact O-N 3.18Å
606D96.9Very high95.6Very high7 Ų730.1 Ų30.14%0.03715%0.148CC..Hα-helixtrans-68.3-31.4177.2-62.4-38.8000112.1R398 L603 P604 V610 K611 M614R398-D606 IonicContact NE-OD1 2.9Å; R398-D606 IonicContact NH2-OD1 3.67Å; L603-D606 PolarHBondContact N-OD2 2.99Å; L603-D606 WeakPolarHBondContact O-CB 3.41Å; L603-D606 PolarHBondContact O-N 2.79Å; P604-D606 PolarHBondContact O-N 3.12Å; D606-V610 WeakPolarHBondContact O-CA 3.34Å; D606-V610 PolarHBondContact O-N 3.34Å; D606-V610 VanDerWaalsContact O-N 3.17Å; D606-K611 HydrophobicContact CB-CB 4.23Å; D606-K611 HydrophobicContact CB-CG 4.35Å; D606-K611 PolarHBondContact O-N 3.01Å; D606-M614 HydrophobicContact CB-CB 3.69Å; D606-M614 HydrophobicContact CB-CG 4.18Å
607L98.1Very high95.5Very high1 Ų130.1 Ų30.11%0.00515%0.149CC..Hα-helixtrans-73.9-48.2172.7-67.1178.9000110.7I549 S550 V555 A586 V590 P604 E605 E609 V610 V615 V618I549-L607 HydrophobicContact CG2-CD2 4.25Å; S550-L607 WeakPolarHBondContact CA-O 3.48Å; V555-L607 HydrophobicContact CG2-CD1 4.39Å; V555-L607 HydrophobicContact CG2-CD2 4.17Å; A586-L607 HydrophobicContact CB-CB 4.24Å; A586-L607 HydrophobicContact CB-CD1 4.38Å; V590-L607 HydrophobicContact CG2-CD1 3.97Å; P604-L607 WeakPolarHBondContact O-CB 3.23Å; P604-L607 PolarHBondContact O-N 3.43Å; P604-L607 VanDerWaalsContact O-N 3.12Å; E605-L607 VanDerWaalsContact C-N 3.29Å; E605-L607 PolarHBondContact O-N 3.38Å; L607-E609 VanDerWaalsContact C-N 3.35Å; L607-E609 PolarHBondContact O-N 3.36Å; L607-V610 PolarHBondContact O-N 3.22Å; L607-V615 HydrophobicContact CD2-CG2 4.25Å; L607-V618 HydrophobicContact CD2-CG1 4.49Å; L607-V618 HydrophobicContact CD2-CG2 4.16Å
608V98.1Very high95.7Very high20 Ų2029 Ų2912%0.12114%0.137CC..Hα-helixtrans-58.6-46.2-179.6179.10000111.1S550 K582 H583 A586 P604 E605 V610S550-V608 WeakPolarHBondContact CB-O 3.42Å; K582-V608 HydrophobicContact CB-CG1 4.23Å; K582-V608 HydrophobicContact CB-CG2 4.2Å; H583-V608 HydrophobicContact CB-CG2 4.46Å; A586-V608 HydrophobicContact CB-CG2 3.87Å; P604-V608 PolarHBondContact O-N 3.06Å; E605-V608 PolarHBondContact O-N 3.34Å; V608-V610 VanDerWaalsContact C-N 3.28Å; V608-V610 PolarHBondContact O-N 3.3Å
609E97.8Very high95.8Very high86 Ų8628.9 Ų28.940%0.40214%0.136SC..THydrogen-bonded Turntrans-80.9-7.1178.8-66.7175-151.600113.6R398 E605 L607 K611R398-E609 IonicContact CZ-OE1 3.89Å; R398-E609 IonicContact CZ-OE2 2.67Å; R398-E609 IonicContact NH1-OE1 3.09Å; R398-E609 PolarHBondContact NH1-OE1 3Å; R398-E609 IonicContact NH1-OE2 2.77Å; R398-E609 IonicContact NH2-OE1 3.87Å; R398-E609 PolarHBondContact NH2-OE1 2.96Å; R398-E609 VanDerWaalsContact NH2-OE1 3.16Å; R398-E609 IonicContact NH2-OE2 3.81Å; R398-E609 PolarHBondContact NH2-OE2 3.05Å; E605-E609 VanDerWaalsContact O-CB 3.32Å; E605-E609 WeakPolarHBondContact O-CB 3.18Å; E605-E609 WeakPolarHBondContact O-CG 3.34Å; E605-E609 PolarHBondContact O-N 3.18Å; L607-E609 VanDerWaalsContact C-N 3.35Å; L607-E609 PolarHBondContact O-N 3.36Å; E609-K611 HydrophobicContact CB-CG 4.35Å; E609-K611 WeakPolarHBondContact OE2-CE 3.42Å; E609-K611 IonicContact OE2-NZ 3.2Å; E609-K611 PolarHBondContact OE2-NZ 3.48Å
610V97.9Very high95.9Very high7 Ų722.6 Ų22.64%0.04211%0.113CC..THydrogen-bonded Turntrans54.856.1-177.6-165.40000111.2D546 K547 I549 D606 L607 V608 P612 V615D546-V610 WeakPolarHBondContact O-CG1 3.04Å; K547-V610 HydrophobicContact CD-CG2 4.48Å; I549-V610 HydrophobicContact CB-CG1 4.39Å; D606-V610 WeakPolarHBondContact O-CA 3.34Å; D606-V610 PolarHBondContact O-N 3.34Å; D606-V610 VanDerWaalsContact O-N 3.17Å; L607-V610 PolarHBondContact O-N 3.22Å; V608-V610 VanDerWaalsContact C-N 3.28Å; V608-V610 PolarHBondContact O-N 3.3Å; V610-P612 WeakPolarHBondContact O-CD 3.39Å; V610-V615 HydrophobicContact CG1-CG2 4.39Å
611K96.4Very high95.9Very high88 Ų8823.7 Ų23.738%0.38312%0.12SC..  trans-71.7107.3175-66.2-62.9-177.4-168.80109.3D606 E609 K613 M614 V615D606-K611 HydrophobicContact CB-CB 4.23Å; D606-K611 HydrophobicContact CB-CG 4.35Å; D606-K611 PolarHBondContact O-N 3.01Å; E609-K611 HydrophobicContact CB-CG 4.35Å; E609-K611 WeakPolarHBondContact OE2-CE 3.42Å; E609-K611 IonicContact OE2-NZ 3.2Å; E609-K611 PolarHBondContact OE2-NZ 3.48Å; K611-K613 VanDerWaalsContact C-N 3.29Å; K611-K613 PolarHBondContact O-N 3.24Å; K611-K613 VanDerWaalsContact O-N 3.14Å; K611-M614 HydrophobicContact CB-CB 4.28Å; K611-M614 HydrophobicContact CB-CG 4.47Å; K611-M614 PolarHBondContact O-N 2.92Å; K611-V615 WeakPolarHBondContact O-CB 3.38Å; K611-V615 VanDerWaalsContact O-CG2 3.29Å; K611-V615 WeakPolarHBondContact O-CG2 3.34Å; K611-V615 PolarHBondContact O-N 3.32Å
612P95Very high95.9Very high54 Ų5423 Ų2335%0.35112%0.117SC..Hα-helixtrans-62.4-35.7-163.7-2637.3000113.9F544 K545 V610 M616F544-P612 HydrophobicContact CB-CB 4.41Å; K545-P612 HydrophobicContact CG-CB 4.01Å; K545-P612 HydrophobicContact CG-CG 3.68Å; V610-P612 WeakPolarHBondContact O-CD 3.39Å; P612-M616 WeakPolarHBondContact O-CB 3.31Å; P612-M616 PolarHBondContact O-N 3.49Å
613K93.5Very high95.9Very high72 Ų7223.4 Ų23.431%0.31312%0.119SC..Hα-helixtrans-58.2-53.9175-69.2-174.9-179.2176.70111.3E399 W499 K611 M616 T617E399-K613 WeakPolarHBondContact OE1-CD 3.41Å; E399-K613 IonicContact OE1-NZ 2.77Å; E399-K613 PolarHBondContact OE1-NZ 3.39Å; W499-K613 HydrophobicContact CD2-CB 4.36Å; W499-K613 HydrophobicContact CD2-CD 3.6Å; W499-K613 HydrophobicContact CD2-CG 4.03Å; W499-K613 HydrophobicContact CE3-CB 4.17Å; W499-K613 HydrophobicContact CE3-CD 3.98Å; W499-K613 HydrophobicContact CE3-CG 4.35Å; W499-K613 HydrophobicContact CG-CD 3.95Å; W499-K613 HydrophobicContact CH2-CB 3.41Å; W499-K613 VanDerWaalsContact CH2-CB 3.41Å; W499-K613 HydrophobicContact CH2-CD 4.4Å; W499-K613 HydrophobicContact CH2-CG 3.87Å; W499-K613 WeakPolarHBondContact CH2-O 3.46Å; W499-K613 HydrophobicContact CZ2-CB 3.63Å; W499-K613 HydrophobicContact CZ2-CD 4.07Å; W499-K613 HydrophobicContact CZ2-CG 3.51Å; W499-K613 HydrophobicContact CZ3-CB 3.72Å; W499-K613 HydrophobicContact CZ3-CD 4.37Å; W499-K613 HydrophobicContact CZ3-CG 4.28Å; K611-K613 VanDerWaalsContact C-N 3.29Å; K611-K613 PolarHBondContact O-N 3.24Å; K611-K613 VanDerWaalsContact O-N 3.14Å; K613-M616 WeakPolarHBondContact O-CB 3.48Å; K613-M616 PolarHBondContact O-N 3.1Å; K613-T617 PolarHBondContact O-N 3.23Å
614M94.5Very high95.7Very high6 Ų622 Ų223%0.0311%0.113CC..Hα-helixtrans-71.6-40.1-176.8-63.2-45.2-58.800112T402 M502 A602 D606 K611 M616 T617 V618T402-M614 HydrophobicContact CG2-CE 3.52Å; T402-M614 HydrophobicContact CG2-SD 4.27Å; M502-M614 HydrophobicContact CE-CE 4.41Å; A602-M614 HydrophobicContact CB-CB 4.17Å; A602-M614 HydrophobicContact CB-CE 3.77Å; D606-M614 HydrophobicContact CB-CB 3.69Å; D606-M614 HydrophobicContact CB-CG 4.18Å; K611-M614 HydrophobicContact CB-CB 4.28Å; K611-M614 HydrophobicContact CB-CG 4.47Å; K611-M614 PolarHBondContact O-N 2.92Å; M614-M616 VanDerWaalsContact C-N 3.3Å; M614-M616 PolarHBondContact O-N 2.68Å; M614-T617 PolarHBondContact O-N 3.32Å; M614-T617 PolarHBondContact O-OG1 2.91Å; M614-V618 PolarHBondContact O-N 3.06Å
615V96.9Very high95.4Very high0 Ų024.2 Ų24.20%012%0.119CC..Hα-helixtrans-55.6-44.8172.7169.10000111.3F544 I549 L607 V610 K611 T617 V618 F619F544-V615 HydrophobicContact CB-CB 4.43Å; F544-V615 HydrophobicContact CB-CG1 3.97Å; F544-V615 HydrophobicContact CD1-CG1 4.12Å; F544-V615 HydrophobicContact CG-CG1 4.48Å; I549-V615 HydrophobicContact CD1-CG1 3.76Å; I549-V615 HydrophobicContact CG2-CG1 4.1Å; I549-V615 HydrophobicContact CG2-CG2 4.17Å; L607-V615 HydrophobicContact CD2-CG2 4.25Å; V610-V615 HydrophobicContact CG1-CG2 4.39Å; K611-V615 WeakPolarHBondContact O-CB 3.38Å; K611-V615 VanDerWaalsContact O-CG2 3.29Å; K611-V615 WeakPolarHBondContact O-CG2 3.34Å; K611-V615 PolarHBondContact O-N 3.32Å; V615-T617 VanDerWaalsContact C-N 3.32Å; V615-T617 PolarHBondContact O-N 3.3Å; V615-V618 PolarHBondContact O-N 3.33Å; V615-F619 HydrophobicContact CG1-CD2 3.83Å; V615-F619 HydrophobicContact CG1-CE2 3.71Å; V615-F619 VanDerWaalsContact O-CD2 3.3Å; V615-F619 WeakPolarHBondContact O-CD2 3.43Å; V615-F619 PolarHBondContact O-N 3.11Å
616M94.7Very high95Very high4 Ų422.1 Ų22.12%0.0211%0.113CC..Hα-helixtrans-57-45.7174.7-177.9-79.5-57.100111.4W499 R503 I524 F544 P612 K613 M614 V618 F619 A620W499-M616 HydrophobicContact CH2-CE 3.47Å; W499-M616 VanDerWaalsContact CH2-CE 3.47Å; W499-M616 HydrophobicContact CZ2-CE 4.01Å; W499-M616 HydrophobicContact CZ3-CE 4.44Å; R503-M616 HydrophobicContact CB-CE 4.45Å; R503-M616 HydrophobicContact CG-CE 3.91Å; I524-M616 HydrophobicContact CD1-CG 4.46Å; I524-M616 HydrophobicContact CD1-SD 4.24Å; F544-M616 HydrophobicContact CB-CB 4.49Å; F544-M616 HydrophobicContact CD1-CB 4.22Å; F544-M616 HydrophobicContact CD2-CB 3.55Å; F544-M616 HydrophobicContact CD2-CG 3.68Å; F544-M616 HydrophobicContact CE1-CB 4.33Å; F544-M616 HydrophobicContact CE1-CG 4.37Å; F544-M616 HydrophobicContact CE2-CB 3.66Å; F544-M616 HydrophobicContact CE2-CG 3.25Å; F544-M616 HydrophobicContact CG-CB 3.83Å; F544-M616 HydrophobicContact CG-CG 4.37Å; F544-M616 HydrophobicContact CZ-CB 4.06Å; F544-M616 HydrophobicContact CZ-CG 3.65Å; P612-M616 WeakPolarHBondContact O-CB 3.31Å; P612-M616 PolarHBondContact O-N 3.49Å; K613-M616 WeakPolarHBondContact O-CB 3.48Å; K613-M616 PolarHBondContact O-N 3.1Å; M614-M616 VanDerWaalsContact C-N 3.3Å; M614-M616 PolarHBondContact O-N 2.68Å; M616-V618 VanDerWaalsContact C-N 3.32Å; M616-V618 PolarHBondContact O-N 2.99Å; M616-F619 PolarHBondContact O-N 3.27Å; M616-A620 VanDerWaalsContact O-CB 3.29Å; M616-A620 WeakPolarHBondContact O-CB 3.27Å; M616-A620 PolarHBondContact O-N 3.2Å; M616-A620 HydrophobicContact SD-CB 4.15Å
617T93.9Very high94.5Very high3 Ų324.1 Ų24.12%0.01812%0.122CC..Hα-helixtrans-62.8-36.7179.367.60000112.9W499 M502 K613 M614 V615 A620 C621W499-T617 HydrophobicContact CH2-CG2 4.27Å; W499-T617 HydrophobicContact CZ3-CG2 4.12Å; M502-T617 HydrophobicContact CE-CG2 4.43Å; K613-T617 PolarHBondContact O-N 3.23Å; M614-T617 PolarHBondContact O-N 3.32Å; M614-T617 PolarHBondContact O-OG1 2.91Å; V615-T617 VanDerWaalsContact C-N 3.32Å; V615-T617 PolarHBondContact O-N 3.3Å; T617-A620 PolarHBondContact O-N 3.37Å; T617-C621 WeakPolarHBondContact O-CB 3.42Å; T617-C621 PolarHBondContact O-N 3.29Å; T617-C621 PolarHBondContact O-SG 3.48Å
618V96.5Very high93.4Very high2 Ų230.3 Ų30.31%0.01215%0.149CC..Hα-helixtrans-61.5-52.2176.8174.90000110.5V555 V600 A602 L607 M614 V615 M616 C621 L622V555-V618 HydrophobicContact CG1-CG1 3.98Å; V555-V618 HydrophobicContact CG2-CG1 4.48Å; V600-V618 HydrophobicContact CG1-CG2 3.93Å; A602-V618 HydrophobicContact CB-CG2 3.43Å; A602-V618 VanDerWaalsContact CB-CG2 3.43Å; L607-V618 HydrophobicContact CD2-CG1 4.49Å; L607-V618 HydrophobicContact CD2-CG2 4.16Å; M614-V618 PolarHBondContact O-N 3.06Å; V615-V618 PolarHBondContact O-N 3.33Å; M616-V618 VanDerWaalsContact C-N 3.32Å; M616-V618 PolarHBondContact O-N 2.99Å; V618-C621 PolarHBondContact O-N 3.42Å; V618-L622 HydrophobicContact CG1-CD1 4.04Å; V618-L622 WeakPolarHBondContact O-CG 3.04Å; V618-L622 PolarHBondContact O-N 3.4Å
619F96.8Very high91.4Very high0 Ų035.3 Ų35.30%017%0.166CC..Hα-helixtrans-66.5-38.1-179.8-74.3-65.5000112.6I524 V528 I541 F544 I549 V555 L558 V615 M616 L622 M623I524-F619 HydrophobicContact CG2-CB 3.84Å; V528-F619 HydrophobicContact CB-CD1 4.5Å; V528-F619 HydrophobicContact CG1-CD1 4.09Å; V528-F619 HydrophobicContact CG1-CE1 4Å; V528-F619 HydrophobicContact CG2-CB 4.1Å; V528-F619 HydrophobicContact CG2-CD1 3.57Å; V528-F619 HydrophobicContact CG2-CE1 4.32Å; V528-F619 HydrophobicContact CG2-CG 4.09Å; I541-F619 HydrophobicContact CD1-CD1 4.3Å; I541-F619 HydrophobicContact CD1-CD2 4.01Å; I541-F619 HydrophobicContact CD1-CE1 4.11Å; I541-F619 HydrophobicContact CD1-CE2 3.79Å; I541-F619 HydrophobicContact CD1-CG 4.26Å; I541-F619 HydrophobicContact CD1-CZ 3.85Å; I541-F619 HydrophobicContact CG2-CZ 4.12Å; F544-F619 HydrophobicContact CD1-CD2 4.04Å; F544-F619 HydrophobicContact CE1-CB 4.13Å; F544-F619 HydrophobicContact CE1-CD2 4.1Å; F544-F619 HydrophobicContact CE1-CG 4.45Å; I549-F619 HydrophobicContact CD1-CE2 3.96Å; I549-F619 HydrophobicContact CG1-CE2 4.34Å; I549-F619 HydrophobicContact CG1-CZ 4.49Å; I549-F619 HydrophobicContact CG2-CE2 4.46Å; V555-F619 HydrophobicContact CG2-CE1 4.17Å; V555-F619 HydrophobicContact CG2-CE2 4.47Å; V555-F619 HydrophobicContact CG2-CZ 3.8Å; L558-F619 HydrophobicContact CD2-CD1 3.52Å; L558-F619 HydrophobicContact CD2-CE1 3.83Å; V615-F619 HydrophobicContact CG1-CD2 3.83Å; V615-F619 HydrophobicContact CG1-CE2 3.71Å; V615-F619 VanDerWaalsContact O-CD2 3.3Å; V615-F619 WeakPolarHBondContact O-CD2 3.43Å; V615-F619 PolarHBondContact O-N 3.11Å; M616-F619 PolarHBondContact O-N 3.27Å; F619-L622 PolarHBondContact O-N 3.23Å; F619-M623 WeakPolarHBondContact O-CB 3.44Å; F619-M623 PolarHBondContact O-N 2.93Å
620A93.9Very high88.5Confident2 Ų240 Ų402%0.01720%0.2CC..Hα-helixtrans-63.2-44.417500000111.9T506 L510 I524 M616 T617 L622 M623 G624T506-A620 HydrophobicContact CG2-CB 3.51Å; L510-A620 HydrophobicContact CD1-CB 4.19Å; I524-A620 HydrophobicContact CD1-CB 3.97Å; M616-A620 VanDerWaalsContact O-CB 3.29Å; M616-A620 WeakPolarHBondContact O-CB 3.27Å; M616-A620 PolarHBondContact O-N 3.2Å; M616-A620 HydrophobicContact SD-CB 4.15Å; T617-A620 PolarHBondContact O-N 3.37Å; A620-L622 PolarHBondContact O-N 3.29Å; A620-M623 WeakPolarHBondContact O-CB 3.25Å; A620-M623 PolarHBondContact O-N 2.64Å; A620-G624 PolarHBondContact O-N 3.46Å
621C93.8Very high88Confident25 Ų2541.7 Ų41.717%0.16921%0.208CC..Hα-helixtrans-65.7-37.9177.2-72.30000112.3A598 R599 V600 T617 V618 G624 R625A598-C621 HydrophobicContact CB-CB 4.3Å; R599-C621 PolarHBondContact O-SG 2.98Å; V600-C621 HydrophobicContact CG2-CB 4.17Å; T617-C621 WeakPolarHBondContact O-CB 3.42Å; T617-C621 PolarHBondContact O-N 3.29Å; T617-C621 PolarHBondContact O-SG 3.48Å; V618-C621 PolarHBondContact O-N 3.42Å; C621-G624 PolarHBondContact O-N 3.01Å; C621-R625 PolarHBondContact O-N 3.31Å
622L95.7Very high87.6Confident0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-65.5-42.1173.1-73.2172.9000111.7V555 L558 I559 I562 A593 I596 A598 V618 F619 A620 R625 G626V555-L622 HydrophobicContact CG1-CD1 3.98Å; L558-L622 HydrophobicContact CD2-CB 4Å; L558-L622 HydrophobicContact CD2-CD1 3.82Å; L558-L622 HydrophobicContact CG-CD1 4.37Å; I559-L622 HydrophobicContact CG1-CD1 4.19Å; I559-L622 HydrophobicContact CG1-CD2 3.68Å; I562-L622 HydrophobicContact CD1-CB 3.82Å; I562-L622 HydrophobicContact CD1-CD2 4.05Å; I562-L622 HydrophobicContact CD1-CG 4.49Å; I562-L622 WeakPolarHBondContact CD1-O 3.45Å; A593-L622 HydrophobicContact CB-CD2 3.93Å; I596-L622 HydrophobicContact CD1-CD2 3.93Å; A598-L622 HydrophobicContact CB-CD2 4.06Å; V618-L622 HydrophobicContact CG1-CD1 4.04Å; V618-L622 WeakPolarHBondContact O-CG 3.04Å; V618-L622 PolarHBondContact O-N 3.4Å; F619-L622 PolarHBondContact O-N 3.23Å; A620-L622 PolarHBondContact O-N 3.29Å; L622-R625 PolarHBondContact O-N 3.15Å; L622-G626 PolarHBondContact O-N 3.34Å
623M93.8Very high87.2Confident10 Ų1038.4 Ų38.45%0.04919%0.191CC..Hα-helixtrans-58.9-48.9173.1179.8174.6176.900112L510 I523 I524 W527 F619 A620 R625 G626 M627L510-M623 HydrophobicContact CD1-SD 4.11Å; L510-M623 HydrophobicContact CD2-CB 4Å; L510-M623 HydrophobicContact CD2-CG 3.78Å; L510-M623 HydrophobicContact CD2-SD 4.18Å; I523-M623 HydrophobicContact CG2-CE 4.05Å; I524-M623 HydrophobicContact CB-SD 4.34Å; I524-M623 HydrophobicContact CG1-SD 4.01Å; I524-M623 HydrophobicContact CG2-SD 4.49Å; W527-M623 HydrophobicContact CB-CE 3.89Å; W527-M623 HydrophobicContact CB-SD 3.86Å; W527-M623 HydrophobicContact CD2-CB 3.97Å; W527-M623 HydrophobicContact CD2-CE 4.43Å; W527-M623 HydrophobicContact CD2-CG 3.52Å; W527-M623 HydrophobicContact CD2-SD 4.02Å; W527-M623 HydrophobicContact CE3-CB 3.54Å; W527-M623 HydrophobicContact CE3-CG 3.64Å; W527-M623 HydrophobicContact CE3-SD 4.2Å; W527-M623 HydrophobicContact CG-CE 3.8Å; W527-M623 HydrophobicContact CG-CG 3.9Å; W527-M623 HydrophobicContact CG-SD 3.84Å; W527-M623 VanDerWaalsContact CH2-CA 3.46Å; W527-M623 HydrophobicContact CH2-CB 4.13Å; W527-M623 HydrophobicContact CH2-CG 4.47Å; W527-M623 HydrophobicContact CZ2-CB 4.47Å; W527-M623 HydrophobicContact CZ2-CG 4.34Å; W527-M623 HydrophobicContact CZ3-CB 3.62Å; W527-M623 HydrophobicContact CZ3-CG 4.12Å; F619-M623 WeakPolarHBondContact O-CB 3.44Å; F619-M623 PolarHBondContact O-N 2.93Å; A620-M623 WeakPolarHBondContact O-CB 3.25Å; A620-M623 PolarHBondContact O-N 2.64Å; M623-R625 PolarHBondContact O-N 2.64Å; M623-G626 PolarHBondContact O-N 3.45Å; M623-G626 VanDerWaalsContact O-N 3.11Å; M623-M627 HydrophobicContact CE-SD 3.4Å; M623-M627 WeakPolarHBondContact CE-SD 3.35Å; M623-M627 HydrophobicContact CG-CG 4.31Å; M623-M627 HydrophobicContact CG-SD 3.87Å; M623-M627 WeakPolarHBondContact O-CG 3.24Å; M623-M627 PolarHBondContact O-N 2.98Å; M623-M627 HydrophobicContact SD-SD 4.5Å
624G90.7Very high86.8Confident3 Ų336.5 Ų36.53%0.03118%0.183CC..Hα-helixtrans-59.6-35.9176.700000112.4L513 A620 C621 K628L513-G624 WeakPolarHBondContact CD1-O 3.41Å; A620-G624 PolarHBondContact O-N 3.46Å; C621-G624 PolarHBondContact O-N 3.01Å; G624-K628 WeakPolarHBondContact O-CG 3.33Å; G624-K628 PolarHBondContact O-N 2.79Å
625R90.8Very high86.3Confident62 Ų6238.4 Ų38.423%0.23419%0.193CC..Hα-helixtrans-70.5-40.9174.317756.9-171.3111.5-9.2112.8I562 I596 A598 C621 L622 M623I562-R625 HydrophobicContact CG2-CG 4.32Å; I596-R625 HydrophobicContact CD1-CG 4.14Å; I596-R625 HydrophobicContact CG1-CG 4.46Å; I596-R625 WeakPolarHBondContact O-CD 3.22Å; I596-R625 PolarHBondContact O-NE 2.89Å; A598-R625 HydrophobicContact CB-CB 4.28Å; C621-R625 PolarHBondContact O-N 3.31Å; L622-R625 PolarHBondContact O-N 3.15Å; M623-R625 PolarHBondContact O-N 2.64Å
626G90.2Very high85.6Confident13 Ų1340.9 Ų40.913%0.13421%0.206CC..Hα-helixtrans-67.5-38.3179.900000113L622 M623 R629L622-G626 PolarHBondContact O-N 3.34Å; M623-G626 PolarHBondContact O-N 3.45Å; M623-G626 VanDerWaalsContact O-N 3.11Å; G626-R629 WeakPolarHBondContact O-CB 3.45Å; G626-R629 PolarHBondContact O-N 2.79Å
627M85.2Confident85Confident48 Ų4843.6 Ų43.624%0.23622%0.219CC..Hα-helixtrans-72.2-30179.5-69.6-179.371.200113.5L513 M623 R629 V630L513-M627 HydrophobicContact CB-CB 4.2Å; L513-M627 HydrophobicContact CB-CE 4.27Å; L513-M627 HydrophobicContact CD1-CB 4.23Å; L513-M627 WeakPolarHBondContact O-CE 3.37Å; M623-M627 HydrophobicContact CE-SD 3.4Å; M623-M627 WeakPolarHBondContact CE-SD 3.35Å; M623-M627 HydrophobicContact CG-CG 4.31Å; M623-M627 HydrophobicContact CG-SD 3.87Å; M623-M627 WeakPolarHBondContact O-CG 3.24Å; M623-M627 PolarHBondContact O-N 2.98Å; M623-M627 HydrophobicContact SD-SD 4.5Å; M627-R629 PolarHBondContact O-N 3.17Å; M627-R629 VanDerWaalsContact O-N 3.1Å; M627-V630 PolarHBondContact O-N 3.36Å
628K76.1Confident84.3Confident132 Ų13246.7 Ų46.757%0.57424%0.235SC*.THydrogen-bonded Turntrans-64.9-7.4173.4-76.2-178-178.7-171.90114.7L513 G624L513-K628 HydrophobicContact CD1-CG 3.87Å; L513-K628 HydrophobicContact CD2-CD 4.33Å; L513-K628 HydrophobicContact CD2-CG 3.42Å; L513-K628 VanDerWaalsContact CD2-CG 3.42Å; L513-K628 HydrophobicContact CG-CG 4.31Å; G624-K628 WeakPolarHBondContact O-CG 3.33Å; G624-K628 PolarHBondContact O-N 2.79Å
629R54.9Low83.3Confident124 Ų12450.4 Ų50.447%0.46825%0.253SS..THydrogen-bonded Turntrans-82.4-14.1177.3-82.7-171.5162.5-147.4-6.9113.5I562 Q563 G626 M627I562-R629 WeakPolarHBondContact O-CD 3.38Å; I562-R629 PolarHBondContact O-NE 3.39Å; I562-R629 VanDerWaalsContact O-NE 3.16Å; I562-R629 PolarHBondContact O-NH1 3.4Å; Q563-R629 VanDerWaalsContact CG-NH2 3.34Å; G626-R629 WeakPolarHBondContact O-CB 3.45Å; G626-R629 PolarHBondContact O-N 2.79Å; M627-R629 PolarHBondContact O-N 3.17Å; M627-R629 VanDerWaalsContact O-N 3.1Å
630V37.3Very low82Confident186 Ų18655 Ų55100%1.12728%0.276SS*.  trans-88.10172.9-168.80000108.3M627M627-V630 PolarHBondContact O-N 3.36Å

Retrieved 630 of 630 residues in 136 ms (Link to these results)

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