A0A077YWZ4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWZ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 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
1M62Low69.2Low221 Ų221105.2 Ų105.2100%1.08961%0.61SS**  0-39.60-88.7173.5125.300113.3A3 M4M1-A3 PolarHBondContact O-N 3.11Å; M1-M4 PolarHBondContact O-N 3.05Å
2T68.9Low69Low121 Ų121102.1 Ų102.174%0.74260%0.599SS**Hα-helixtrans-63.9-29.5-177.749.10000115.9S5 F6T2-S5 PolarHBondContact O-OG 3.27Å; T2-F6 PolarHBondContact O-N 3.25Å
3A69.1Low69.1Low66 Ų66104.5 Ų104.555%0.54560%0.598SS.*Hα-helixtrans-69-37.8178.100000112.9M1 F6 I7M1-A3 PolarHBondContact O-N 3.11Å; A3-F6 PolarHBondContact O-N 3.33Å; A3-I7 WeakPolarHBondContact O-CG1 3.45Å; A3-I7 PolarHBondContact O-N 3.36Å; A3-I7 VanDerWaalsContact O-N 3.1Å
4M66.3Low69.2Low147 Ų147105.3 Ų105.372%0.72460%0.598SS**Hα-helixtrans-68.4-36.2-179.9-71.5-66.3-112.900112M1 S8M1-M4 PolarHBondContact O-N 3.05Å; M4-S8 WeakPolarHBondContact O-CB 3.35Å; M4-S8 PolarHBondContact O-N 2.57Å
5S69.9Low69.1Low76 Ų76102.6 Ų102.653%0.53159%0.588SS.*Hα-helixtrans-67-35.9174.748.90000112.4T2 S8 A9T2-S5 PolarHBondContact O-OG 3.27Å; S5-S8 PolarHBondContact O-N 3.23Å; S5-A9 WeakPolarHBondContact O-CB 3.49Å; S5-A9 PolarHBondContact O-N 2.73Å
6F71.2Confident69.5Low154 Ų154105.7 Ų105.768%0.67559%0.589SS**Hα-helixtrans-70.3-40.6178.4-156.3-91.7000112.2T2 A3 A9 S10T2-F6 PolarHBondContact O-N 3.25Å; A3-F6 PolarHBondContact O-N 3.33Å; F6-A9 PolarHBondContact O-N 3.29Å; F6-S10 WeakPolarHBondContact O-CB 3.5Å; F6-S10 PolarHBondContact O-N 2.95Å; F6-S10 PolarHBondContact O-OG 3.37Å
7I70.5Confident69.8Low101 Ų101103.2 Ų103.252%0.51857%0.574SS.*Hα-helixtrans-63.3-45.6174.3-64.3166000110.2A3 A9 S10 V11A3-I7 WeakPolarHBondContact O-CG1 3.45Å; A3-I7 PolarHBondContact O-N 3.36Å; A3-I7 VanDerWaalsContact O-N 3.1Å; I7-A9 PolarHBondContact O-N 2.99Å; I7-S10 PolarHBondContact O-N 3.09Å; I7-V11 HydrophobicContact CG2-CG2 4.43Å; I7-V11 WeakPolarHBondContact O-CG2 3.38Å; I7-V11 PolarHBondContact O-N 3.43Å
8S71.8Confident69.9Low72 Ų72100.9 Ų100.950%0.50357%0.566SS.*Hα-helixtrans-59.7-47.2177.3-172.10000112.3M4 S5 S10 V11 S12M4-S8 WeakPolarHBondContact O-CB 3.35Å; M4-S8 PolarHBondContact O-N 2.57Å; S5-S8 PolarHBondContact O-N 3.23Å; S8-S10 VanDerWaalsContact C-N 3.3Å; S8-S10 PolarHBondContact O-N 3.43Å; S8-V11 PolarHBondContact O-N 3.23Å; S8-S12 PolarHBondContact O-N 3.09Å; S8-S12 PolarHBondContact O-OG 2.91Å
9A69.5Low70.3Confident61 Ų6198.3 Ų98.350%0.50456%0.555SS.*Hα-helixtrans-62.4-38.3178.300000112S5 F6 I7 S12 F13S5-A9 WeakPolarHBondContact O-CB 3.49Å; S5-A9 PolarHBondContact O-N 2.73Å; F6-A9 PolarHBondContact O-N 3.29Å; I7-A9 PolarHBondContact O-N 2.99Å; A9-S12 PolarHBondContact O-N 3.46Å; A9-F13 WeakPolarHBondContact O-CB 3.33Å; A9-F13 PolarHBondContact O-N 2.85Å
10S71.7Confident70.5Confident47 Ų4796 Ų9633%0.32954%0.543SS..Hα-helixtrans-67.4-42.2178.9-57.20000111.7F6 I7 S8 F13 I14F6-S10 WeakPolarHBondContact O-CB 3.5Å; F6-S10 PolarHBondContact O-N 2.95Å; F6-S10 PolarHBondContact O-OG 3.37Å; I7-S10 PolarHBondContact O-N 3.09Å; S8-S10 VanDerWaalsContact C-N 3.3Å; S8-S10 PolarHBondContact O-N 3.43Å; S10-F13 PolarHBondContact O-N 3.4Å; S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.42Å; S10-I14 PolarHBondContact O-N 2.88Å
11V70Confident70.7Confident91 Ų9196.2 Ų96.255%0.55254%0.542SS*.Hα-helixtrans-65.4-41.9176.4173.60000111.1I7 S8 F13 I14 S15I7-V11 HydrophobicContact CG2-CG2 4.43Å; I7-V11 WeakPolarHBondContact O-CG2 3.38Å; I7-V11 PolarHBondContact O-N 3.43Å; S8-V11 PolarHBondContact O-N 3.23Å; V11-F13 VanDerWaalsContact C-N 3.34Å; V11-F13 PolarHBondContact O-N 3.5Å; V11-I14 PolarHBondContact O-N 3.33Å; V11-S15 WeakPolarHBondContact O-CB 3.49Å; V11-S15 PolarHBondContact O-N 2.91Å; V11-S15 PolarHBondContact O-OG 3.49Å
12S67.3Low71.3Confident68 Ų6889.8 Ų89.848%0.47652%0.515SS..Hα-helixtrans-63.5-37175.1-640000112.8S8 A9 S15 Y16S8-S12 PolarHBondContact O-N 3.09Å; S8-S12 PolarHBondContact O-OG 2.91Å; A9-S12 PolarHBondContact O-N 3.46Å; S12-S15 WeakPolarHBondContact CA-OG 3.26Å; S12-S15 PolarHBondContact O-OG 3.38Å; S12-Y16 WeakPolarHBondContact O-CB 3.28Å; S12-Y16 PolarHBondContact O-N 3.11Å
13F69.7Low71.6Confident134 Ų13492.1 Ų92.159%0.58851%0.51SS*.Hα-helixtrans-69.5-40.3177.1-170.4-103.5000112.1A9 S10 V11 Y16 N17A9-F13 WeakPolarHBondContact O-CB 3.33Å; A9-F13 PolarHBondContact O-N 2.85Å; S10-F13 PolarHBondContact O-N 3.4Å; V11-F13 VanDerWaalsContact C-N 3.34Å; V11-F13 PolarHBondContact O-N 3.5Å; F13-Y16 PolarHBondContact O-N 3.14Å; F13-N17 WeakPolarHBondContact CD1-ND2 3.44Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.47Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.45Å; F13-N17 PolarHBondContact O-N 3.12Å; F13-N17 PolarHBondContact O-ND2 2.92Å
14I71.1Confident72Confident115 Ų11595.1 Ų95.159%0.5951%0.514SS*.Hα-helixtrans-66.4-41176.2-65.3167.9000110.7S10 V11 N17 S18S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.42Å; S10-I14 PolarHBondContact O-N 2.88Å; V11-I14 PolarHBondContact O-N 3.33Å; I14-N17 PolarHBondContact O-N 3.16Å; I14-S18 WeakPolarHBondContact O-CB 3.27Å; I14-S18 PolarHBondContact O-N 3.45Å; I14-S18 PolarHBondContact O-OG 3.48Å
15S68.2Low72.4Confident65 Ų6592.5 Ų92.546%0.45550%0.503SS..Hα-helixtrans-69-34.7177.769.40000112.6V11 S12 S18 S19V11-S15 WeakPolarHBondContact O-CB 3.49Å; V11-S15 PolarHBondContact O-N 2.91Å; V11-S15 PolarHBondContact O-OG 3.49Å; S12-S15 WeakPolarHBondContact CA-OG 3.26Å; S12-S15 PolarHBondContact O-OG 3.38Å; S15-S18 PolarHBondContact O-OG 2.79Å; S15-S19 WeakPolarHBondContact O-CB 3.36Å; S15-S19 PolarHBondContact O-N 3.12Å
16Y74.2Confident72.9Confident152 Ų15292.8 Ų92.860%0.59650%0.501SS*.Hα-helixtrans-65.1-49.7173.3-174.8-98.8000111.3S12 F13 S18 S19 V20S12-Y16 WeakPolarHBondContact O-CB 3.28Å; S12-Y16 PolarHBondContact O-N 3.11Å; F13-Y16 PolarHBondContact O-N 3.14Å; Y16-S18 VanDerWaalsContact C-N 3.34Å; Y16-S18 PolarHBondContact O-N 2.78Å; Y16-S19 WeakPolarHBondContact O-CB 3.46Å; Y16-S19 PolarHBondContact O-N 3.43Å; Y16-V20 HydrophobicContact CD1-CG2 4.1Å; Y16-V20 HydrophobicContact CE1-CG2 3.74Å; Y16-V20 HydrophobicContact CE2-CG2 4.43Å; Y16-V20 WeakPolarHBondContact O-CG2 2.91Å; Y16-V20 PolarHBondContact O-N 3.07Å
17N75.1Confident73.2Confident63 Ų6389.8 Ų89.834%0.33749%0.492SS..Hα-helixtrans-63.8-39.2179.2-76.7-26.3000112.4F13 I14 S19 V20 I21F13-N17 WeakPolarHBondContact CD1-ND2 3.44Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.47Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.45Å; F13-N17 PolarHBondContact O-N 3.12Å; F13-N17 PolarHBondContact O-ND2 2.92Å; I14-N17 PolarHBondContact O-N 3.16Å; N17-S19 VanDerWaalsContact C-N 3.34Å; N17-V20 PolarHBondContact O-N 2.74Å; N17-I21 WeakPolarHBondContact O-CB 3.46Å; N17-I21 WeakPolarHBondContact O-CD1 3.5Å; N17-I21 WeakPolarHBondContact O-CG1 3.4Å; N17-I21 PolarHBondContact O-N 3.45Å
18S71.3Confident73.7Confident62 Ų6288.4 Ų88.443%0.43449%0.491SS..Hα-helixtrans-65-40.1175.572.50000111.5I14 S15 Y16 I21 V22I14-S18 WeakPolarHBondContact O-CB 3.27Å; I14-S18 PolarHBondContact O-N 3.45Å; I14-S18 PolarHBondContact O-OG 3.48Å; S15-S18 PolarHBondContact O-OG 2.79Å; Y16-S18 VanDerWaalsContact C-N 3.34Å; Y16-S18 PolarHBondContact O-N 2.78Å; S18-I21 PolarHBondContact O-N 2.92Å; S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.14Å; S18-V22 PolarHBondContact O-N 2.81Å
19S77.7Confident74.1Confident52 Ų5290.5 Ų90.536%0.36449%0.492SS..Hα-helixtrans-62.4-44175-170.80000112.3S15 Y16 N17 V22 R23S15-S19 WeakPolarHBondContact O-CB 3.36Å; S15-S19 PolarHBondContact O-N 3.12Å; Y16-S19 WeakPolarHBondContact O-CB 3.46Å; Y16-S19 PolarHBondContact O-N 3.43Å; N17-S19 VanDerWaalsContact C-N 3.34Å; S19-V22 PolarHBondContact O-N 3Å; S19-R23 WeakPolarHBondContact O-CB 2.97Å; S19-R23 WeakPolarHBondContact O-CG 3.43Å; S19-R23 PolarHBondContact O-N 3.09Å
20V75.5Confident74.7Confident51 Ų5194.1 Ų94.131%0.30950%0.497SS..Hα-helixtrans-64.1-43.2177.2174.50000111Y16 N17 V22 R23 M24Y16-V20 HydrophobicContact CD1-CG2 4.1Å; Y16-V20 HydrophobicContact CE1-CG2 3.74Å; Y16-V20 HydrophobicContact CE2-CG2 4.43Å; Y16-V20 WeakPolarHBondContact O-CG2 2.91Å; Y16-V20 PolarHBondContact O-N 3.07Å; N17-V20 PolarHBondContact O-N 2.74Å; V20-V22 PolarHBondContact O-N 3.24Å; V20-R23 PolarHBondContact O-N 2.68Å; V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 WeakPolarHBondContact O-CB 3.23Å; V20-M24 VanDerWaalsContact O-CG 3.31Å; V20-M24 WeakPolarHBondContact O-CG 3.24Å; V20-M24 PolarHBondContact O-N 3.04Å
21I74.6Confident75.3Confident101 Ų101100.5 Ų100.552%0.51851%0.514SS..Hα-helixtrans-62.8-43177.2-68.2164.1000110.7N17 S18 M24 L25N17-I21 WeakPolarHBondContact O-CB 3.46Å; N17-I21 WeakPolarHBondContact O-CD1 3.5Å; N17-I21 WeakPolarHBondContact O-CG1 3.4Å; N17-I21 PolarHBondContact O-N 3.45Å; S18-I21 PolarHBondContact O-N 2.92Å; I21-M24 PolarHBondContact O-N 3.44Å; I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.42Å; I21-L25 WeakPolarHBondContact O-CB 3.5Å; I21-L25 WeakPolarHBondContact O-CG 3.49Å; I21-L25 PolarHBondContact O-N 3.05Å
22V74.4Confident76Confident87 Ų87101.2 Ų101.253%0.52751%0.514SS..Hα-helixtrans-64.3-40.8176.3172.80000111.2S18 S19 V20 L25 T26S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.14Å; S18-V22 PolarHBondContact O-N 2.81Å; S19-V22 PolarHBondContact O-N 3Å; V20-V22 PolarHBondContact O-N 3.24Å; V22-L25 PolarHBondContact O-N 3.37Å; V22-T26 HydrophobicContact CG1-CG2 4.38Å; V22-T26 WeakPolarHBondContact O-CB 3.02Å; V22-T26 VanDerWaalsContact O-CG2 3.29Å; V22-T26 WeakPolarHBondContact O-CG2 2.95Å; V22-T26 PolarHBondContact O-N 2.91Å; V22-T26 PolarHBondContact O-OG1 3.4Å
23R74.9Confident76.9Confident170 Ų170103 Ų10364%0.64252%0.518SS*.Hα-helixtrans-63.3-43.8174.2-75.4179.7177.9-173.4-0.1112S19 V20 T26 I27S19-R23 WeakPolarHBondContact O-CB 2.97Å; S19-R23 WeakPolarHBondContact O-CG 3.43Å; S19-R23 PolarHBondContact O-N 3.09Å; V20-R23 PolarHBondContact O-N 2.68Å; R23-T26 WeakPolarHBondContact CA-OG1 3.36Å; R23-T26 PolarHBondContact O-N 3.47Å; R23-T26 PolarHBondContact O-OG1 3.37Å; R23-I27 WeakPolarHBondContact O-CB 3.08Å; R23-I27 WeakPolarHBondContact O-CD1 3.48Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 2.86Å
24M76.5Confident77.7Confident128 Ų128100.5 Ų100.563%0.63151%0.509SS*.Hα-helixtrans-63.6-43.7176.5-73-66.7-154.300111.9V20 I21 I27 S28V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 WeakPolarHBondContact O-CB 3.23Å; V20-M24 VanDerWaalsContact O-CG 3.31Å; V20-M24 WeakPolarHBondContact O-CG 3.24Å; V20-M24 PolarHBondContact O-N 3.04Å; I21-M24 PolarHBondContact O-N 3.44Å; M24-I27 PolarHBondContact O-N 2.97Å; M24-S28 WeakPolarHBondContact O-CB 3.42Å; M24-S28 PolarHBondContact O-N 3.1Å
25L76.3Confident78.4Confident93 Ų9399 Ų9949%0.48751%0.506SS..Hα-helixtrans-63.2-45.2176.7-76.6170.2000111.5I21 V22 S28 H29I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.42Å; I21-L25 WeakPolarHBondContact O-CB 3.5Å; I21-L25 WeakPolarHBondContact O-CG 3.49Å; I21-L25 PolarHBondContact O-N 3.05Å; V22-L25 PolarHBondContact O-N 3.37Å; L25-S28 PolarHBondContact O-N 3.1Å; L25-H29 PolarHBondContact O-N 2.66Å; L25-H29 PolarHBondContact O-ND1 3.44Å
26T79.2Confident79.4Confident81 Ų81100.5 Ų100.550%0.49751%0.508SS..Hα-helixtrans-65.3-41.6179.148.40000112V22 R23 S28 H29 F30V22-T26 HydrophobicContact CG1-CG2 4.38Å; V22-T26 WeakPolarHBondContact O-CB 3.02Å; V22-T26 VanDerWaalsContact O-CG2 3.29Å; V22-T26 WeakPolarHBondContact O-CG2 2.95Å; V22-T26 PolarHBondContact O-N 2.91Å; V22-T26 PolarHBondContact O-OG1 3.4Å; R23-T26 WeakPolarHBondContact CA-OG1 3.36Å; R23-T26 PolarHBondContact O-N 3.47Å; R23-T26 PolarHBondContact O-OG1 3.37Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 3.34Å; T26-H29 PolarHBondContact O-N 3.48Å; T26-F30 VanDerWaalsContact O-CB 3.28Å; T26-F30 WeakPolarHBondContact O-CB 3.35Å; T26-F30 PolarHBondContact O-N 3.21Å
27I76.9Confident79.9Confident92 Ų92101 Ų10147%0.47251%0.509SS..Hα-helixtrans-62.2-42.4174.4-67.8165.1000110.8R23 M24 F30 R31R23-I27 WeakPolarHBondContact O-CB 3.08Å; R23-I27 WeakPolarHBondContact O-CD1 3.48Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 2.86Å; M24-I27 PolarHBondContact O-N 2.97Å; I27-F30 PolarHBondContact O-N 3.17Å; I27-R31 WeakPolarHBondContact O-CG 3.37Å; I27-R31 PolarHBondContact O-N 2.89Å
28S82.3Confident80.3Confident72 Ų72100.8 Ų100.850%0.50351%0.512SS..Hα-helixtrans-63.7-43.9177.3-173.40000112.1M24 L25 T26 R31 L32M24-S28 WeakPolarHBondContact O-CB 3.42Å; M24-S28 PolarHBondContact O-N 3.1Å; L25-S28 PolarHBondContact O-N 3.1Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 3.34Å; S28-R31 PolarHBondContact O-N 3.28Å; S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 3.37Å
29H80.2Confident80.6Confident115 Ų115102.6 Ų102.653%0.53252%0.516SS..Hα-helixtrans-67.3-39.9177.5-76.171.7000111.3L25 T26 R31 L32 I33L25-H29 PolarHBondContact O-N 2.66Å; L25-H29 PolarHBondContact O-ND1 3.44Å; T26-H29 PolarHBondContact O-N 3.48Å; H29-R31 PolarHBondContact O-N 2.66Å; H29-L32 PolarHBondContact O-N 3.28Å; H29-I33 VanDerWaalsContact O-CG1 3.29Å; H29-I33 WeakPolarHBondContact O-CG1 3.47Å; H29-I33 PolarHBondContact O-N 3.32Å
30F82.6Confident80.6Confident138 Ų138103.6 Ų103.661%0.60552%0.523SS*.Hα-helixtrans-61.9-43.5176.5-171.2-96.7000111.6T26 I27 L32 I33 L34T26-F30 VanDerWaalsContact O-CB 3.28Å; T26-F30 WeakPolarHBondContact O-CB 3.35Å; T26-F30 PolarHBondContact O-N 3.21Å; I27-F30 PolarHBondContact O-N 3.17Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 3.44Å; F30-I33 PolarHBondContact O-N 2.83Å; F30-L34 HydrophobicContact CE1-CD1 4.13Å; F30-L34 WeakPolarHBondContact O-CB 3.49Å; F30-L34 PolarHBondContact O-N 2.94Å
31R82.8Confident80.6Confident180 Ų180105 Ų10568%0.67953%0.529SS*.Hα-helixtrans-61.6-40.8173.5-75.2-170.9177.4-161.40.1112.1I27 S28 H29 L34 V35I27-R31 WeakPolarHBondContact O-CG 3.37Å; I27-R31 PolarHBondContact O-N 2.89Å; S28-R31 PolarHBondContact O-N 3.28Å; H29-R31 PolarHBondContact O-N 2.66Å; R31-L34 PolarHBondContact O-N 3.03Å; R31-V35 VanDerWaalsContact O-CG2 3.29Å; R31-V35 WeakPolarHBondContact O-CG2 3.31Å; R31-V35 PolarHBondContact O-N 3.47Å
32L86.3Confident80.2Confident106 Ų106104.1 Ų104.156%0.55553%0.532SS*.Hα-helixtrans-65.5-43.6178.2-171.3132000111.9S28 H29 F30 L34 V35 L36S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 3.37Å; H29-L32 PolarHBondContact O-N 3.28Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 3.44Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.85Å; L32-V35 PolarHBondContact O-N 3Å; L32-L36 HydrophobicContact CD2-CD1 3.71Å; L32-L36 HydrophobicContact CG-CD1 4.45Å; L32-L36 WeakPolarHBondContact O-CG 3.25Å; L32-L36 PolarHBondContact O-N 2.94Å
33I85.5Confident79.5Confident107 Ų107107.5 Ų107.555%0.54954%0.542SS..Hα-helixtrans-61.2-43.5174.4-67.6164.6000110.6H29 F30 L36 W37H29-I33 VanDerWaalsContact O-CG1 3.29Å; H29-I33 WeakPolarHBondContact O-CG1 3.47Å; H29-I33 PolarHBondContact O-N 3.32Å; F30-I33 PolarHBondContact O-N 2.83Å; I33-L36 PolarHBondContact O-N 2.99Å; I33-W37 WeakPolarHBondContact O-CB 3.21Å; I33-W37 PolarHBondContact O-N 3.49Å
34L87.1Confident78.6Confident80 Ų80103.7 Ų103.742%0.41954%0.541SS..Hα-helixtrans-65.3-41.6-179.9-167.6139.6000112F30 R31 L32 W37 C38F30-L34 HydrophobicContact CE1-CD1 4.13Å; F30-L34 WeakPolarHBondContact O-CB 3.49Å; F30-L34 PolarHBondContact O-N 2.94Å; R31-L34 PolarHBondContact O-N 3.03Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.85Å; L34-W37 PolarHBondContact O-N 3.07Å; L34-C38 PolarHBondContact O-N 3.06Å; L34-C38 PolarHBondContact O-SG 2.92Å
35V85.6Confident77.5Confident85 Ų85108 Ų10852%0.51555%0.55SS..Hα-helixtrans-62.5-45.4174.4170.60000111.1R31 L32 W37 C38 L39R31-V35 VanDerWaalsContact O-CG2 3.29Å; R31-V35 WeakPolarHBondContact O-CG2 3.31Å; R31-V35 PolarHBondContact O-N 3.47Å; L32-V35 PolarHBondContact O-N 3Å; V35-W37 VanDerWaalsContact C-N 3.32Å; V35-W37 PolarHBondContact O-N 2.6Å; V35-C38 PolarHBondContact O-N 3.47Å; V35-L39 HydrophobicContact CG1-CD1 4.28Å; V35-L39 WeakPolarHBondContact O-CG 3.35Å; V35-L39 PolarHBondContact O-N 2.95Å
36L87.5Confident76.3Confident96 Ų96106.7 Ų106.750%0.50355%0.553SS.*Hα-helixtrans-62.1-40.9176.4-72.6171.2000111.7L32 I33 L39 S40L32-L36 HydrophobicContact CD2-CD1 3.71Å; L32-L36 HydrophobicContact CG-CD1 4.45Å; L32-L36 WeakPolarHBondContact O-CG 3.25Å; L32-L36 PolarHBondContact O-N 2.94Å; I33-L36 PolarHBondContact O-N 2.99Å; L36-L39 PolarHBondContact O-N 3.09Å; L36-S40 PolarHBondContact O-N 3Å; L36-S40 PolarHBondContact O-OG 3.44Å
37W85.3Confident75.1Confident162 Ų162108.6 Ų108.661%0.61457%0.567SS**Hα-helixtrans-64-41.8177.2-172.452000112.3I33 L34 V35 L39 S40 L41I33-W37 WeakPolarHBondContact O-CB 3.21Å; I33-W37 PolarHBondContact O-N 3.49Å; L34-W37 PolarHBondContact O-N 3.07Å; V35-W37 VanDerWaalsContact C-N 3.32Å; V35-W37 PolarHBondContact O-N 2.6Å; W37-L39 VanDerWaalsContact C-N 3.32Å; W37-L39 PolarHBondContact O-N 2.74Å; W37-S40 PolarHBondContact O-N 3.16Å; W37-L41 HydrophobicContact CD2-CD1 3.88Å; W37-L41 HydrophobicContact CE3-CD1 4.26Å; W37-L41 HydrophobicContact CG-CD1 4.35Å; W37-L41 HydrophobicContact CH2-CD1 4.31Å; W37-L41 HydrophobicContact CZ2-CD1 3.93Å; W37-L41 HydrophobicContact CZ3-CD1 4.46Å; W37-L41 WeakPolarHBondContact O-CB 3.32Å; W37-L41 WeakPolarHBondContact O-CG 3.42Å; W37-L41 PolarHBondContact O-N 3.33Å
38C84.7Confident73.9Confident58 Ų58112.7 Ų112.739%0.39258%0.584SS.*Hα-helixtrans-62.8-37174.1-69.40000112.7L34 V35 S42L34-C38 PolarHBondContact O-N 3.06Å; L34-C38 PolarHBondContact O-SG 2.92Å; V35-C38 PolarHBondContact O-N 3.47Å; C38-S42 WeakPolarHBondContact O-CB 3.38Å; C38-S42 PolarHBondContact O-N 3.33Å; C38-S42 PolarHBondContact O-OG 2.73Å
39L77.3Confident72.6Confident100 Ų100118.3 Ų118.352%0.52460%0.599SS.*Hα-helixtrans-67.3-45.4175.3-70.8171.2000111.2V35 L36 W37 L41 S42 E43V35-L39 HydrophobicContact CG1-CD1 4.28Å; V35-L39 WeakPolarHBondContact O-CG 3.35Å; V35-L39 PolarHBondContact O-N 2.95Å; L36-L39 PolarHBondContact O-N 3.09Å; W37-L39 VanDerWaalsContact C-N 3.32Å; W37-L39 PolarHBondContact O-N 2.74Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.12Å; L39-S42 WeakPolarHBondContact O-CB 3.29Å; L39-S42 PolarHBondContact O-N 3.09Å; L39-S42 VanDerWaalsContact O-N 3.08Å; L39-E43 PolarHBondContact O-N 3.19Å
40S78.2Confident71.2Confident74 Ų74117.6 Ų117.652%0.51761%0.607SS.*Hα-helixtrans-61.5-38.4176.3-59.30000112.8L36 W37 S42 S44L36-S40 PolarHBondContact O-N 3Å; L36-S40 PolarHBondContact O-OG 3.44Å; W37-S40 PolarHBondContact O-N 3.16Å; S40-S42 VanDerWaalsContact C-N 3.33Å; S40-S44 PolarHBondContact O-N 2.69Å
41L73.6Confident69.6Low80 Ų80117.3 Ų117.342%0.41961%0.611SS.*Hα-helixtrans-68.8-30.5174.2-74.6168.4000112.9W37 L39 S44 R45W37-L41 HydrophobicContact CD2-CD1 3.88Å; W37-L41 HydrophobicContact CE3-CD1 4.26Å; W37-L41 HydrophobicContact CG-CD1 4.35Å; W37-L41 HydrophobicContact CH2-CD1 4.31Å; W37-L41 HydrophobicContact CZ2-CD1 3.93Å; W37-L41 HydrophobicContact CZ3-CD1 4.46Å; W37-L41 WeakPolarHBondContact O-CB 3.32Å; W37-L41 WeakPolarHBondContact O-CG 3.42Å; W37-L41 PolarHBondContact O-N 3.33Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.12Å; L41-S44 PolarHBondContact O-OG 3.05Å; L41-R45 PolarHBondContact O-N 3.17Å
42S67.1Low67.8Low83 Ų83116.5 Ų116.558%0.5862%0.619SS**Hα-helixtrans-74.1-39.5177.5-60.10000111.3C38 L39 S40 R45C38-S42 WeakPolarHBondContact O-CB 3.38Å; C38-S42 PolarHBondContact O-N 3.33Å; C38-S42 PolarHBondContact O-OG 2.73Å; L39-S42 WeakPolarHBondContact O-CB 3.29Å; L39-S42 PolarHBondContact O-N 3.09Å; L39-S42 VanDerWaalsContact O-N 3.08Å; S40-S42 VanDerWaalsContact C-N 3.33Å; S42-R45 PolarHBondContact O-N 2.99Å
43E59.8Low66Low158 Ų158119.5 Ų119.574%0.73863%0.628SS**Hα-helixtrans-69.3-33173.8-75.9-175.8164.400112.3L39 R45 A46L39-E43 PolarHBondContact O-N 3.19Å; E43-R45 PolarHBondContact O-N 2.87Å; E43-A46 WeakPolarHBondContact O-CB 3.4Å; E43-A46 PolarHBondContact O-N 2.91Å; E43-A46 VanDerWaalsContact O-N 3.11Å
44S56.8Low63.9Low90 Ų90123.5 Ų123.563%0.62964%0.641SS**THydrogen-bonded Turntrans-70.3-11.6175.598.20000113.7S40 L41S40-S44 PolarHBondContact O-N 2.69Å; L41-S44 PolarHBondContact O-OG 3.05Å
45R51.7Low61.9Low217 Ų217126.4 Ų126.482%0.81966%0.662SS**THydrogen-bonded Turntrans-99.111.4172.8-83-171.6174.1179.6-0.2113.3L41 S42 E43 P47L41-R45 PolarHBondContact O-N 3.17Å; S42-R45 PolarHBondContact O-N 2.99Å; E43-R45 PolarHBondContact O-N 2.87Å; R45-P47 VanDerWaalsContact O-N 3.1Å
46A52.6Low59.7Low66 Ų66132.3 Ų132.355%0.54568%0.684SS.*SBendtrans-52.6121.716200000107.7E43 E48E43-A46 WeakPolarHBondContact O-CB 3.4Å; E43-A46 PolarHBondContact O-N 2.91Å; E43-A46 VanDerWaalsContact O-N 3.11Å; A46-E48 PolarHBondContact O-N 3.24Å
47P52.8Low57.6Low122 Ų122130.9 Ų130.979%0.79269%0.693SS**  trans-57.8117.3-170.521.8-31.7000107.9R45 K49R45-P47 VanDerWaalsContact O-N 3.1Å; P47-K49 PolarHBondContact O-N 2.92Å
48E53.2Low55.4Low177 Ų177132.1 Ų132.183%0.82771%0.705SS**  trans-45.8111.3167.6-82.8-173.1147.800106.5A46 S50A46-E48 PolarHBondContact O-N 3.24Å; E48-S50 PolarHBondContact O-N 3.07Å
49K53.7Low53.8Low190 Ų190138.8 Ų138.883%0.82673%0.728SS**  trans-57.995.6168.9-73.7-178.8-179.1179.80106.2P47 I51P47-K49 PolarHBondContact O-N 2.92Å; K49-I51 PolarHBondContact O-N 3.18Å
50S50.2Low52.3Low100 Ų100138.6 Ų138.670%0.69974%0.735SS**  trans7.581.515962.10000113.1E48 L52E48-S50 PolarHBondContact O-N 3.07Å; S50-L52 PolarHBondContact O-N 3.45Å
51I49Very low50.7Low133 Ų133142.5 Ų142.568%0.68275%0.75SS**  trans-77.768.2162.9-57174.4000105.8K49 K53K49-I51 PolarHBondContact O-N 3.18Å; I51-K53 HydrophobicContact CG2-CB 4.32Å; I51-K53 HydrophobicContact CG2-CD 4.33Å; I51-K53 HydrophobicContact CG2-CG 4.3Å; I51-K53 PolarHBondContact O-N 3.39Å
52L46.5Very low49.8Very low163 Ų163147.3 Ų147.385%0.85377%0.768SS**  trans-78.677.6162.9-107.7154.5000106.9S50 K54S50-L52 PolarHBondContact O-N 3.45Å; L52-K54 PolarHBondContact O-N 3.45Å
53K49Very low48.9Very low169 Ų169154.4 Ų154.474%0.73578%0.781SS**  trans-69.2116.9167.5-120.4174.9179.9174.30107.9I51I51-K53 HydrophobicContact CG2-CB 4.32Å; I51-K53 HydrophobicContact CG2-CD 4.33Å; I51-K53 HydrophobicContact CG2-CG 4.3Å; I51-K53 PolarHBondContact O-N 3.39Å
54K41Very low48.8Very low191 Ų191152.4 Ų152.483%0.8378%0.78SS**  trans55.494146.6-70178.2169.1-1770117.7L52L52-K54 PolarHBondContact O-N 3.45Å
55T45.4Very low48.9Very low141 Ų141153 Ų15387%0.86578%0.784SS**  -128.7110.1127.431.50000107.9G57T55-G57 PolarHBondContact O-N 3.43Å; T55-G57 VanDerWaalsContact O-N 3.1Å
56Q38.8Very low49.2Very low208 Ų208151.8 Ų151.897%0.97279%0.785SS**  trans-67.498.5178.9-168.9176.35.600108.1
57G42.3Very low49.7Very low67 Ų67153 Ų15369%0.69178%0.783SS**  trans-143.486.417800000108.4T55 K59T55-G57 PolarHBondContact O-N 3.43Å; T55-G57 VanDerWaalsContact O-N 3.1Å; G57-K59 PolarHBondContact O-N 3.23Å
58E39.5Very low50.5Low187 Ų187153 Ų15387%0.87478%0.783SS**  trans-12.5108.5158.6-172.6178.4-174.800114.8
59K51.7Low51.2Low198 Ų198151.3 Ų151.386%0.86178%0.779SS**  trans-175114.7150.4-100.3152.5-168.2-174.60113.2G57G57-K59 PolarHBondContact O-N 3.23Å
60S45.9Very low51.8Low97 Ų97146.7 Ų146.768%0.67877%0.767SS**  trans22.3108.1161.569.50000120.1K62S60-K62 VanDerWaalsContact C-N 3.32Å; S60-K62 PolarHBondContact O-N 3.33Å
61D43.9Very low52.3Low156 Ų156153.6 Ų153.683%0.83478%0.777SS**  trans-62.990.3151.9-105.5-36000109.5
62K55.7Low53.1Low181 Ų181153.2 Ų153.279%0.78778%0.781SS**  trans-111.787.8155-77.8-173.7179.7-179.50106.9S60 V64S60-K62 VanDerWaalsContact C-N 3.32Å; S60-K62 PolarHBondContact O-N 3.33Å; K62-V64 PolarHBondContact O-N 3.46Å
63R48.7Very low54.2Low231 Ų231148.2 Ų148.287%0.87277%0.769SS**  trans-63.2103.4164.1-75.1-175.5179.2-163.4-1.8107.6S65R63-S65 PolarHBondContact O-N 2.93Å; R63-S65 VanDerWaalsContact O-N 3.09Å
64V55.8Low55.4Low117 Ų117148 Ų14871%0.70977%0.774SS**  trans-70.3100.9170.3179.70000106.6K62 F66K62-V64 PolarHBondContact O-N 3.46Å; V64-F66 PolarHBondContact O-N 2.82Å
65S59Low56.8Low103 Ų103144.1 Ų144.172%0.7276%0.761SS**  trans-66.4117.716654.30000107.8R63 D67R63-S65 PolarHBondContact O-N 2.93Å; R63-S65 VanDerWaalsContact O-N 3.09Å; S65-D67 PolarHBondContact O-N 3.29Å
66F59.6Low58.2Low191 Ų191140.4 Ų140.484%0.83874%0.739SS**  trans-67.8110.8165.8-83.5-88.7000107.8V64 P68V64-F66 PolarHBondContact O-N 2.82Å; F66-P68 WeakPolarHBondContact O-CD 3.14Å
67D62.1Low59.5Low92 Ų92134.5 Ų134.549%0.49273%0.727SS.*  trans-80.8115.2173-171.7-1000107.7S65 D69 V70S65-D67 PolarHBondContact O-N 3.29Å; D67-D69 PolarHBondContact O-N 3.07Å; D67-V70 HydrophobicContact CB-CG2 3.84Å; D67-V70 WeakPolarHBondContact O-CB 3.33Å; D67-V70 PolarHBondContact O-N 3.35Å
68P69.3Low60.8Low122 Ų122139.3 Ų139.379%0.79273%0.728SS**THydrogen-bonded Turntrans-63.2-12.8-175.726.3-35000113.5F66F66-P68 WeakPolarHBondContact O-CD 3.14Å
69D67.8Low62Low140 Ų140135.4 Ų135.475%0.74971%0.71SS**THydrogen-bonded Turntrans-88-4.9176.9-70.2-26.3000113.5D67 R71D67-D69 PolarHBondContact O-N 3.07Å; D69-R71 PolarHBondContact O-N 3.46Å; D69-R71 VanDerWaalsContact O-N 3.12Å
70V67.3Low62.6Low93 Ų93129.3 Ų129.356%0.56469%0.689SS**  trans-74.4106174.7175.90000109.5D67 V72D67-V70 HydrophobicContact CB-CG2 3.84Å; D67-V70 WeakPolarHBondContact O-CB 3.33Å; D67-V70 PolarHBondContact O-N 3.35Å; V70-V72 HydrophobicContact CG1-CG2 4.49Å; V70-V72 PolarHBondContact O-N 3.11Å
71R60.1Low63.4Low245 Ų245126.3 Ų126.393%0.92567%0.67SS**  trans-66.999.5169.5-65.3-174.6-177-146.60.3109.4D69 G73D69-R71 PolarHBondContact O-N 3.46Å; D69-R71 VanDerWaalsContact O-N 3.12Å; R71-G73 PolarHBondContact O-N 3.3Å
72V67Low64.3Low125 Ų125125.6 Ų125.676%0.75867%0.667SS**  trans-73.4114.1167.3-172.80000107.5V70V70-V72 HydrophobicContact CG1-CG2 4.49Å; V70-V72 PolarHBondContact O-N 3.11Å
73G68.9Low64.6Low58 Ų58123.6 Ų123.660%0.59866%0.66SS**PPolyproline II helixtrans-65.4141.9171.200000110.3R71 I75R71-G73 PolarHBondContact O-N 3.3Å; G73-I75 PolarHBondContact O-N 3.22Å
74I74Confident65.2Low166 Ų166120.1 Ų120.185%0.85165%0.651SS**PPolyproline II helixtrans-68.1116.5172.6-61.5167.9000107.2P76I74-P76 WeakPolarHBondContact O-CD 3.2Å
75I71Confident65.3Low108 Ų108121.6 Ų121.655%0.55465%0.651SS**PPolyproline II helixtrans-70.3123172.8-58.6172.6000107.2G73 A77 E79 V80G73-I75 PolarHBondContact O-N 3.22Å; I75-A77 PolarHBondContact O-N 3.04Å; I75-E79 HydrophobicContact CG2-CB 3.78Å; I75-V80 HydrophobicContact CB-CG2 4.21Å; I75-V80 HydrophobicContact CG2-CG2 3.7Å
76P73.9Confident65.2Low63 Ų63122 Ų12241%0.40965%0.651SS.*PPolyproline II helixtrans-54.7137.5176.4-22.832000110.8I74 K78 E79 V80I74-P76 WeakPolarHBondContact O-CD 3.2Å; P76-K78 PolarHBondContact O-N 2.67Å; P76-E79 HydrophobicContact CB-CG 4.47Å; P76-E79 WeakPolarHBondContact CD-OE2 3.36Å; P76-E79 HydrophobicContact CG-CG 4.45Å; P76-E79 PolarHBondContact O-N 3.08Å; P76-V80 PolarHBondContact O-N 2.77Å
77A67.3Low65Low85 Ų85117.6 Ų117.670%0.70264%0.639SS**Hα-helixtrans-53.3-28.8179.200000113.2I75 V80 A81I75-A77 PolarHBondContact O-N 3.04Å; A77-V80 PolarHBondContact O-N 2.76Å; A77-A81 WeakPolarHBondContact O-CB 3.34Å; A77-A81 PolarHBondContact O-N 2.84Å
78K69.7Low64.6Low168 Ų168120.5 Ų120.573%0.7365%0.653SS**Hα-helixtrans-60.7-42.9173.7-66.5-173.3176.6-1750112.7P76 A81 D82P76-K78 PolarHBondContact O-N 2.67Å; K78-A81 PolarHBondContact O-N 2.82Å; K78-D82 PolarHBondContact O-N 3.11Å; K78-D82 VanDerWaalsContact O-N 3.12Å
79E64.6Low63.8Low104 Ų104116.6 Ų116.649%0.48663%0.629SS.*Hα-helixtrans-73-29.4-179.7-68.1178.3-173.600112.3I75 P76 Q83I75-E79 HydrophobicContact CG2-CB 3.78Å; P76-E79 HydrophobicContact CB-CG 4.47Å; P76-E79 WeakPolarHBondContact CD-OE2 3.36Å; P76-E79 HydrophobicContact CG-CG 4.45Å; P76-E79 PolarHBondContact O-N 3.08Å; E79-Q83 PolarHBondContact O-N 2.95Å
80V63.9Low63.3Low71 Ų71116.9 Ų116.943%0.4363%0.629SS.*Hα-helixtrans-70.7-44174.9-177.10000111I75 P76 A77 D82 Q83 F84I75-V80 HydrophobicContact CB-CG2 4.21Å; I75-V80 HydrophobicContact CG2-CG2 3.7Å; P76-V80 PolarHBondContact O-N 2.77Å; A77-V80 PolarHBondContact O-N 2.76Å; V80-D82 VanDerWaalsContact C-N 3.34Å; V80-D82 PolarHBondContact O-N 3.11Å; V80-Q83 PolarHBondContact O-N 2.81Å; V80-F84 PolarHBondContact O-N 3.26Å; V80-F84 VanDerWaalsContact O-N 3.16Å
81A61.2Low62.5Low33 Ų33120.6 Ų120.627%0.27364%0.638SS.*Hα-helixtrans-63-37.6177.300000113A77 K78 E85 V87A77-A81 WeakPolarHBondContact O-CB 3.34Å; A77-A81 PolarHBondContact O-N 2.84Å; K78-A81 PolarHBondContact O-N 2.82Å; A81-E85 VanDerWaalsContact O-O 3.14Å; A81-V87 HydrophobicContact CB-CG2 3.35Å
82D64Low61.9Low142 Ų142115.7 Ų115.776%0.75963%0.63SS**Hα-helixtrans-77.7-20.1-177-69.7-20000113.3K78 V80K78-D82 PolarHBondContact O-N 3.11Å; K78-D82 VanDerWaalsContact O-N 3.12Å; V80-D82 VanDerWaalsContact C-N 3.34Å; V80-D82 PolarHBondContact O-N 3.11Å
83Q62.1Low61Low138 Ų138114.6 Ų114.665%0.64562%0.623SS**Hα-helixtrans-112.1-31.1-171.3-71-175.36.700115.8E79 V80E79-Q83 PolarHBondContact O-N 2.95Å; V80-Q83 PolarHBondContact O-N 2.81Å
84F59.9Low60Low158 Ų158120.7 Ų120.769%0.69364%0.636SS**THydrogen-bonded Turntrans-127.1-24-162.9-68.4-75000116.4V80V80-F84 PolarHBondContact O-N 3.26Å; V80-F84 VanDerWaalsContact O-N 3.16Å
85E58.7Low58.5Low149 Ų149124.6 Ų124.670%0.69664%0.64SS**  trans-149.9134177.6-68-174.5162.800110.7A81 V87A81-E85 VanDerWaalsContact O-O 3.14Å; E85-V87 PolarHBondContact O-N 2.76Å; E85-V87 VanDerWaalsContact O-N 3.12Å
86P57.5Low57.7Low112 Ų112122.9 Ų122.973%0.72764%0.642SS**  trans-59.7121.3166.926.2-31.3000107.8I88P86-I88 VanDerWaalsContact C-N 3.31Å; P86-I88 PolarHBondContact O-N 3.33Å
87V54.2Low56.7Low97 Ų97124.3 Ų124.359%0.58865%0.652SS**  trans-61.695.5174174.70000108A81 E85 S89A81-V87 HydrophobicContact CB-CG2 3.35Å; E85-V87 PolarHBondContact O-N 2.76Å; E85-V87 VanDerWaalsContact O-N 3.12Å; V87-S89 PolarHBondContact O-N 3.44Å
88I54.6Low56.1Low153 Ų153128.4 Ų128.479%0.78566%0.661SS**  trans-78.171.4163.8-52.9176.2000106.1P86 I90P86-I88 VanDerWaalsContact C-N 3.31Å; P86-I88 PolarHBondContact O-N 3.33Å; I88-I90 PolarHBondContact O-N 3.08Å
89S52.7Low55.5Low40 Ų40128.3 Ų128.328%0.2866%0.66SS.*  trans-79.4111.4169.2169.90000107.6V87 F91V87-S89 PolarHBondContact O-N 3.44Å; S89-F91 PolarHBondContact O-N 2.96Å; S89-F91 VanDerWaalsContact O-N 3.14Å; S89-F91 WeakPolarHBondContact OG-CA 3.39Å; S89-F91 VanDerWaalsContact OG-CB 3.28Å; S89-F91 WeakPolarHBondContact OG-CB 3.39Å; S89-F91 PolarHBondContact OG-N 3.02Å
90I56.3Low55.2Low146 Ų146128.4 Ų128.475%0.74967%0.67SS**G310 helixtrans-69.4-0.2166.2-45.8174.6000110I88I88-I90 PolarHBondContact O-N 3.08Å
91F50.7Low55Low172 Ų172130 Ų13075%0.75468%0.681SS**G310 helixtrans-87.3-0.9-179.6-71.9-86.2000115.1S89 V93S89-F91 PolarHBondContact O-N 2.96Å; S89-F91 VanDerWaalsContact O-N 3.14Å; S89-F91 WeakPolarHBondContact OG-CA 3.39Å; S89-F91 VanDerWaalsContact OG-CB 3.28Å; S89-F91 WeakPolarHBondContact OG-CB 3.39Å; S89-F91 PolarHBondContact OG-N 3.02Å; F91-V93 VanDerWaalsContact C-N 3.28Å; F91-V93 PolarHBondContact O-N 3.39Å
92D47Very low54.8Low142 Ų142132.9 Ų132.976%0.75971%0.705SS**G310 helixtrans-86.44.2174.4-72.3-13000113.7E94D92-E94 PolarHBondContact O-N 2.97Å
93V48.5Very low54.2Low102 Ų102133.9 Ų133.962%0.61871%0.706SS**SBendtrans-86.4101.9163.9-174.60000107.5F91 R95F91-V93 VanDerWaalsContact C-N 3.28Å; F91-V93 PolarHBondContact O-N 3.39Å; V93-R95 PolarHBondContact O-N 2.83Å
94E49.2Very low53.6Low185 Ų185133.9 Ų133.986%0.86471%0.709SS**THydrogen-bonded Turntrans-17.397.3169.8-72.9-175.6141.500113.4D92 A96D92-E94 PolarHBondContact O-N 2.97Å; E94-A96 VanDerWaalsContact C-N 3.25Å; E94-A96 PolarHBondContact O-N 3.04Å
95R42.8Very low53.1Low248 Ų248135.1 Ų135.194%0.93671%0.714SS**THydrogen-bonded Turntrans35.851.2161.2-72.9179.9168.6-178.3-2.7114.7V93 P97V93-R95 PolarHBondContact O-N 2.83Å; R95-P97 VanDerWaalsContact O-CD 3.26Å; R95-P97 WeakPolarHBondContact O-CD 3.27Å
96A52.3Low52.7Low73 Ų73136 Ų13660%0.60372%0.718SS**  trans-85.8109.3162.400000106.6E94 L98E94-A96 VanDerWaalsContact C-N 3.25Å; E94-A96 PolarHBondContact O-N 3.04Å; A96-L98 PolarHBondContact O-N 3.43Å
97P52.9Low52.5Low93 Ų93135.9 Ų135.960%0.60472%0.717SS**  trans-54.5145.917223.2-31.3000108.4R95 K99R95-P97 VanDerWaalsContact O-CD 3.26Å; R95-P97 WeakPolarHBondContact O-CD 3.27Å; P97-K99 HydrophobicContact CB-CB 4.36Å; P97-K99 HydrophobicContact CG-CB 4.36Å; P97-K99 PolarHBondContact O-N 2.86Å
98L54.7Low52.5Low171 Ų171136.8 Ų136.890%0.89573%0.725SS**SBendtrans-63.136.3168.5-73.1159.9000112A96A96-L98 PolarHBondContact O-N 3.43Å
99K57Low52.4Low165 Ų165135.3 Ų135.372%0.71773%0.725SS**  trans-88.9115.8171.2-135.7175-172.3176.80105.7P97P97-K99 HydrophobicContact CB-CB 4.36Å; P97-K99 HydrophobicContact CG-CB 4.36Å; P97-K99 PolarHBondContact O-N 2.86Å
100P59.6Low52.2Low106 Ų106141 Ų14169%0.68875%0.747SS**  trans-53.4141.1166.523.5-31.1000107.7A102P100-A102 PolarHBondContact O-N 2.77Å
101P58.5Low51.7Low104 Ų104140.2 Ų140.268%0.67575%0.752SS**  trans-54.4113.217720.8-30.6000108.6E103P101-E103 PolarHBondContact O-N 3.36Å
102A57.8Low51.3Low94 Ų94135.9 Ų135.978%0.77774%0.739SS**SBendtrans-59.5128159.700000105.6P100P100-A102 PolarHBondContact O-N 2.77Å
103E50.7Low51Low163 Ų163137.7 Ų137.776%0.76275%0.748SS**  trans84.161.2-175.2-49.5-179.2174.400116.4P101 K105P101-E103 PolarHBondContact O-N 3.36Å; E103-K105 VanDerWaalsContact C-N 3.34Å; E103-K105 PolarHBondContact O-N 3.22Å
104I51.2Low50.6Low139 Ų139139.9 Ų139.971%0.71375%0.751SS**  trans-71.8104.9135.7-61.3175.7000105.1Q106I104-Q106 PolarHBondContact O-N 3.36Å
105K49.2Very low50.1Low184 Ų184141.8 Ų141.880%0.875%0.75SS**  trans-60.483.6168.1-68.6-179.1-179.3178.30107.9E103E103-K105 VanDerWaalsContact C-N 3.34Å; E103-K105 PolarHBondContact O-N 3.22Å
106Q49.4Very low50Low168 Ų168135.6 Ų135.679%0.78574%0.742SS**PPolyproline II helixtrans-59.4134.3162.2-83-179.7-16.900106.7I104I104-Q106 PolarHBondContact O-N 3.36Å
107P52.7Low49.2Very low108 Ų108136.5 Ų136.570%0.70174%0.744SS**PPolyproline II helixtrans-51.8140.6173.422.5-31.8000108.4P109P107-P109 WeakPolarHBondContact O-CD 3.48Å; P107-P109 VanDerWaalsContact O-N 3.07Å
108P54.7Low48.8Very low117 Ų117142.4 Ų142.476%0.7676%0.755SS**PPolyproline II helixtrans-51.9124179.921.2-31.4000107.9Q110P108-Q110 PolarHBondContact O-N 3.13Å
109P51.9Low48.2Very low121 Ų121140 Ų14079%0.78674%0.741SS**PPolyproline II helixtrans-56.9123.1175.821.1-29.5000106.5P107P107-P109 WeakPolarHBondContact O-CD 3.48Å; P107-P109 VanDerWaalsContact O-N 3.07Å
110Q48.5Very low47.4Very low160 Ų160137 Ų13775%0.74874%0.741SS**PPolyproline II helixtrans-48.6140.5169.4-70.7-179.6-1.300107.4P108 V112P108-Q110 PolarHBondContact O-N 3.13Å; Q110-V112 HydrophobicContact CB-CG2 4.26Å; Q110-V112 PolarHBondContact O-N 2.96Å
111P46.3Very low46.5Very low130 Ų130135.5 Ų135.584%0.84473%0.733SS**  trans-69.671.9173.230.4-33.4000107.8L113P111-L113 PolarHBondContact O-N 2.73Å
112V43.6Very low45.8Very low80 Ų80135 Ų13549%0.48572%0.724SS.*  trans-70.4123.3162.2-167.80000104.1Q110 H114Q110-V112 HydrophobicContact CB-CG2 4.26Å; Q110-V112 PolarHBondContact O-N 2.96Å; V112-H114 WeakPolarHBondContact CB-CD2 3.29Å; V112-H114 WeakPolarHBondContact CG1-CD2 3.42Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.19Å; V112-H114 PolarHBondContact O-N 3.21Å
113L40.6Very low44.9Very low180 Ų180139.1 Ų139.194%0.94273%0.725SS**  trans-62.266174.6-135.896.3000108.8P111 R115P111-L113 PolarHBondContact O-N 2.73Å; L113-R115 PolarHBondContact O-N 3.47Å
114H38.2Very low44.5Very low149 Ų149138.5 Ų138.569%0.6972%0.722SS**  trans-94105.8-177.1-84.1-47.8000108.6V112V112-H114 WeakPolarHBondContact CB-CD2 3.29Å; V112-H114 WeakPolarHBondContact CG1-CD2 3.42Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.19Å; V112-H114 PolarHBondContact O-N 3.21Å
115R40.2Very low44.5Very low224 Ų224137 Ų13785%0.84572%0.719SS**  trans-15.2135.6151.7-156.8175.1-167.8166.41.4112.4L113 S117L113-R115 PolarHBondContact O-N 3.47Å; R115-S117 PolarHBondContact O-N 2.87Å
116P39.5Very low44.5Very low118 Ų118130.6 Ų130.677%0.76670%0.697SS**  trans-59.692.6-171.724.3-34.6000112.4R118P116-R118 PolarHBondContact O-N 3.34Å
117S36.1Very low44.5Very low93 Ų93127.8 Ų127.865%0.6570%0.695SS**  trans-80.891.1168.352.10000108.1R115 I119R115-S117 PolarHBondContact O-N 2.87Å; S117-I119 PolarHBondContact O-N 2.89Å; S117-I119 VanDerWaalsContact O-N 3.16Å
118R43.5Very low44.5Very low217 Ų217129.9 Ų129.982%0.81969%0.69SS**G310 helixtrans-71.56.9179-89.4178.1156.9170.9-5.2114.9P116 S120P116-R118 PolarHBondContact O-N 3.34Å; R118-S120 VanDerWaalsContact C-N 3.29Å; R118-S120 PolarHBondContact O-N 2.9Å
119I43.3Very low44.2Very low119 Ų119128.1 Ų128.161%0.6167%0.674SS**G310 helixtrans-79.5-9.3-168.6-60.9174.6000112.7S117 S121 I122S117-I119 PolarHBondContact O-N 2.89Å; S117-I119 VanDerWaalsContact O-N 3.16Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.47Å; I119-I122 HydrophobicContact CB-CD1 4.46Å; I119-I122 HydrophobicContact CG2-CD1 4.02Å
120S40.9Very low43.7Very low102 Ų102125.9 Ų125.971%0.71366%0.661SS**G310 helixtrans-75.5-11.7177.157.10000115R118R118-S120 VanDerWaalsContact C-N 3.29Å; R118-S120 PolarHBondContact O-N 2.9Å
121S40.7Very low43.4Very low75 Ų75125.7 Ų125.752%0.52465%0.653SS.*G310 helixtrans-88.2-8178.6770000114.3I119 F123 Q124I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.47Å; S121-F123 VanDerWaalsContact C-N 3.29Å; S121-F123 PolarHBondContact O-N 3.18Å; S121-Q124 PolarHBondContact O-N 3.33Å
122I42.4Very low43.3Very low93 Ų93128.4 Ų128.448%0.47766%0.655SS.*THydrogen-bonded Turntrans-77.1-19.8-173.8-45.2178.4000111.5I119I119-I122 HydrophobicContact CB-CD1 4.46Å; I119-I122 HydrophobicContact CG2-CD1 4.02Å
123F39.5Very low43.2Very low181 Ų181129.1 Ų129.179%0.79465%0.653SS**THydrogen-bonded Turntrans-98.85177.4-67.4-77.8000114.1S121 T125S121-F123 VanDerWaalsContact C-N 3.29Å; S121-F123 PolarHBondContact O-N 3.18Å; F123-T125 PolarHBondContact O-N 3.01Å
124Q42.7Very low43.3Very low151 Ų151127.1 Ų127.171%0.70665%0.648SS**  trans-77.197.2172.5-79.5-179.5-11.800109.2S121S121-Q124 PolarHBondContact O-N 3.33Å
125T50.6Low43.4Very low107 Ų107124.3 Ų124.366%0.65663%0.632SS**  trans-50.8124.8162.310.20000107.9F123 S127F123-T125 PolarHBondContact O-N 3.01Å; T125-S127 PolarHBondContact O-N 3.48Å
126P50.2Low43.8Very low50 Ų50117.5 Ų117.533%0.32562%0.615SS.*  trans-65.4129.5-178.124.3-31.2000109.9Y128 I129P126-Y128 HydrophobicContact CB-CD1 3.65Å; P126-Y128 HydrophobicContact CB-CE1 3.23Å; P126-Y128 HydrophobicContact CB-CG 4.45Å; P126-Y128 HydrophobicContact CG-CD1 4.36Å; P126-Y128 HydrophobicContact CG-CE1 3.67Å; P126-Y128 HydrophobicContact CG-CE2 4.21Å; P126-Y128 PolarHBondContact O-N 3.24Å; P126-I129 HydrophobicContact CG-CD1 3.85Å; P126-I129 HydrophobicContact CG-CG1 4.31Å; P126-I129 PolarHBondContact O-N 2.9Å
127S48.5Very low44.3Very low109 Ų109118.3 Ų118.376%0.76262%0.618SS**THydrogen-bonded Turntrans-59.8-6.8-17351.90000115.1T125 I129T125-S127 PolarHBondContact O-N 3.48Å; S127-I129 VanDerWaalsContact C-N 3.3Å
128Y52.5Low45Very low152 Ų152121.8 Ų121.860%0.59662%0.624SS**THydrogen-bonded Turntrans-80.3-7.5173.262.2-103.9000113.9P126P126-Y128 HydrophobicContact CB-CD1 3.65Å; P126-Y128 HydrophobicContact CB-CE1 3.23Å; P126-Y128 HydrophobicContact CB-CG 4.45Å; P126-Y128 HydrophobicContact CG-CD1 4.36Å; P126-Y128 HydrophobicContact CG-CE1 3.67Å; P126-Y128 HydrophobicContact CG-CE2 4.21Å; P126-Y128 PolarHBondContact O-N 3.24Å
129I48.5Very low44.9Very low80 Ų80115.4 Ų115.441%0.4160%0.603SS.*SBendtrans-97.9-24-178.2-54.9-178.5000112.2P126 S127P126-I129 HydrophobicContact CG-CD1 3.85Å; P126-I129 HydrophobicContact CG-CG1 4.31Å; P126-I129 PolarHBondContact O-N 2.9Å; S127-I129 VanDerWaalsContact C-N 3.3Å
130S40.8Very low45Very low74 Ų74113.7 Ų113.752%0.51760%0.599SS.*  trans-110.4107.8179.864.10000111.4E132S130-E132 PolarHBondContact O-N 2.93Å
131R43.8Very low45Very low155 Ų155117.2 Ų117.259%0.58560%0.604SS**  trans-71.3121.1152.4-114.9178.7179.1172.3-0.4106.7E133 Y135 F144R131-E133 VanDerWaalsContact C-N 3.33Å; R131-E133 IonicContact NE-OE1 3.82Å; R131-E133 PolarHBondContact O-N 2.92Å; R131-Y135 PolarHBondContact O-OH 3.4Å; R131-F144 HydrophobicContact CB-CE1 4.16Å; R131-F144 HydrophobicContact CB-CZ 4.37Å
132E42.6Very low45.4Very low187 Ų187117.3 Ų117.387%0.87460%0.604SS**  trans-75.689.5170.4-75.5-174.3162.900108.4S130S130-E132 PolarHBondContact O-N 2.93Å
133E41.9Very low45.7Very low96 Ų96122.7 Ų122.745%0.44962%0.618SS.*  trans-127.2140.4171.1-71.1176-171.200108.1R131 Y135R131-E133 VanDerWaalsContact C-N 3.33Å; R131-E133 IonicContact NE-OE1 3.82Å; R131-E133 PolarHBondContact O-N 2.92Å; E133-Y135 HydrophobicContact CB-CE1 4.16Å; E133-Y135 WeakPolarHBondContact O-CD2 3.32Å; E133-Y135 WeakPolarHBondContact O-CE2 3.44Å; E133-Y135 PolarHBondContact O-N 3.46Å
134T43.9Very low46.2Very low137 Ų137118.1 Ų118.184%0.8460%0.599SS**  trans-66.399.3177.6160000109.6
135Y39Very low46.5Very low90 Ų90112.2 Ų112.235%0.35358%0.578SS.*  trans-83.2133.1-173.5-61.4-69.7000113.1R131 E133 E139 F144R131-Y135 PolarHBondContact O-OH 3.4Å; E133-Y135 HydrophobicContact CB-CE1 4.16Å; E133-Y135 WeakPolarHBondContact O-CD2 3.32Å; E133-Y135 WeakPolarHBondContact O-CE2 3.44Å; E133-Y135 PolarHBondContact O-N 3.46Å; Y135-E139 HydrophobicContact CD1-CB 4.08Å; Y135-F144 HydrophobicContact CE1-CB 4.44Å; Y135-F144 HydrophobicContact CE1-CD2 4.41Å
136T48.8Very low46.5Very low81 Ų81110.9 Ų110.950%0.49757%0.566SS.*  trans-85.6159.2162.757.50000110.5E138 E139 V140T136-E138 PolarHBondContact O-N 3.29Å; T136-E138 VanDerWaalsContact O-N 3.09Å; T136-E139 PolarHBondContact N-OE2 2.83Å; T136-E139 PolarHBondContact O-N 3.34Å; T136-E139 PolarHBondContact OG1-OE2 2.93Å; T136-V140 PolarHBondContact O-N 3.4Å
137V50.2Low46.2Very low136 Ų136109.8 Ų109.882%0.82456%0.564SS**Hα-helixtrans-55.7-29.5-179.3178.40000112.1
138E50.1Low46.3Very low165 Ų165108.3 Ų108.377%0.77156%0.559SS**Hα-helixtrans-73.4-24.3176.7-64.7-173.1163.800113.7T136 S142T136-E138 PolarHBondContact O-N 3.29Å; T136-E138 VanDerWaalsContact O-N 3.09Å; E138-S142 PolarHBondContact O-OG 2.83Å
139E42.2Very low46.3Very low83 Ų83109.3 Ų109.339%0.38857%0.573SS.*Hα-helixtrans-84.7-28.4-179.2-79.4177139.600113.6Y135 T136 Q141 S142 R143Y135-E139 HydrophobicContact CD1-CB 4.08Å; T136-E139 PolarHBondContact N-OE2 2.83Å; T136-E139 PolarHBondContact O-N 3.34Å; T136-E139 PolarHBondContact OG1-OE2 2.93Å; E139-Q141 PolarHBondContact O-N 2.88Å; E139-S142 PolarHBondContact O-N 2.98Å; E139-S142 PolarHBondContact O-OG 3.27Å; E139-R143 PolarHBondContact O-N 2.82Å
140V44.6Very low46.7Very low84 Ų84108.4 Ų108.451%0.50957%0.572SS.*Iπ-helixtrans-65.3-30.1178.7-177.70000111.4T136T136-V140 PolarHBondContact O-N 3.4Å
141Q42.7Very low47.2Very low176 Ų176112.1 Ų112.182%0.82259%0.591SS**Iπ-helixtrans-81.7-26.8176.6-110.1179.410.700113.9E139E139-Q141 PolarHBondContact O-N 2.88Å
142S48Very low47.7Very low76 Ų76110.5 Ų110.553%0.53159%0.594SS.*Iπ-helixtrans-98-30.6-164.260.20000115.1E138 E139E138-S142 PolarHBondContact O-OG 2.83Å; E139-S142 PolarHBondContact O-N 2.98Å; E139-S142 PolarHBondContact O-OG 3.27Å
143R49.5Very low48.4Very low206 Ų206102.4 Ų102.478%0.77756%0.558SS**Iπ-helixtrans-142.4-20.2-169.5-67.2-171.3177-174.7-1.1118.4E139E139-R143 PolarHBondContact O-N 2.82Å
144F50.3Low49.1Very low86 Ų86108.1 Ų108.138%0.37758%0.575SS.*Iπ-helixtrans-130.5-14.1-171.8-81.5-85.9000116.5R131 Y135R131-F144 HydrophobicContact CB-CE1 4.16Å; R131-F144 HydrophobicContact CB-CZ 4.37Å; Y135-F144 HydrophobicContact CE1-CB 4.44Å; Y135-F144 HydrophobicContact CE1-CD2 4.41Å
145G47.8Very low50.1Low26 Ų26108.7 Ų108.727%0.26857%0.568SS.*SBendtrans-65.8145.6170.400000112G147 R156G145-G147 PolarHBondContact O-N 3.16Å; G145-R156 PolarHBondContact O-NH1 3.32Å
146L49.8Very low51Low80 Ų80109.2 Ų109.242%0.41957%0.57SS.*  trans-64.967152.5-84.8153.8000107.2A148 R156 I157 Y160L146-A148 PolarHBondContact O-N 2.84Å; L146-R156 HydrophobicContact CD2-CB 3.85Å; L146-I157 HydrophobicContact CD2-CG1 3.78Å; L146-Y160 HydrophobicContact CD1-CD2 4.47Å; L146-Y160 HydrophobicContact CD1-CG 4.38Å
147G45.6Very low51.7Low27 Ų27107.9 Ų107.928%0.27856%0.559SS.*  trans-61.8107.317700000106.8G145 L149 T150 S153G145-G147 PolarHBondContact O-N 3.16Å; G147-L149 PolarHBondContact O-N 3.13Å; G147-T150 PolarHBondContact O-N 3.41Å; G147-T150 VanDerWaalsContact O-N 3.11Å; G147-T150 PolarHBondContact O-OG1 2.95Å; G147-T150 VanDerWaalsContact O-OG1 3.11Å; G147-S153 WeakPolarHBondContact O-CB 3.44Å
148A50.7Low52.4Low78 Ų78103.2 Ų103.265%0.64554%0.535SS*.THydrogen-bonded Turntrans-59.6-3.9-176.800000113.6L146L146-A148 PolarHBondContact O-N 2.84Å
149L52.6Low53.2Low172 Ų17298.1 Ų98.190%0.90152%0.517SS*.THydrogen-bonded Turntrans-124.84.4-175.1-67.2164000113.9G147G147-L149 PolarHBondContact O-N 3.13Å
150T55.6Low54.2Low62 Ų6299.1 Ų99.138%0.3852%0.518SS..SBendtrans-77.5146.6173.154.20000111G147 D152 S153G147-T150 PolarHBondContact O-N 3.41Å; G147-T150 VanDerWaalsContact O-N 3.11Å; G147-T150 PolarHBondContact O-OG1 2.95Å; G147-T150 VanDerWaalsContact O-OG1 3.11Å; T150-D152 PolarHBondContact O-N 3.49Å; T150-S153 WeakPolarHBondContact O-CB 3.29Å; T150-S153 PolarHBondContact O-N 3.39Å; T150-S153 PolarHBondContact O-OG 2.92Å
151V51.1Low55.2Low152 Ų152100.8 Ų100.892%0.92152%0.519SS*.THydrogen-bonded Turntrans-57.8-17.4-172.5175.70000114.3
152D55Low56.2Low121 Ų121101.6 Ų101.665%0.64751%0.514SS*.THydrogen-bonded Turntrans-116.114.8173.9-77-32000114.7T150 R154T150-D152 PolarHBondContact O-N 3.49Å; D152-R154 VanDerWaalsContact C-N 3.26Å; D152-R154 PolarHBondContact O-N 2.94Å
153S57.5Low56.9Low17 Ų17103.3 Ų103.312%0.11951%0.513CS..Hα-helixtrans-62.3-32.2-177.258.30000113.1G147 T150 E155 R156 I157G147-S153 WeakPolarHBondContact O-CB 3.44Å; T150-S153 WeakPolarHBondContact O-CB 3.29Å; T150-S153 PolarHBondContact O-N 3.39Å; T150-S153 PolarHBondContact O-OG 2.92Å; S153-E155 PolarHBondContact O-N 3.33Å; S153-R156 PolarHBondContact O-N 3.46Å; S153-I157 WeakPolarHBondContact O-CB 3.5Å; S153-I157 WeakPolarHBondContact O-CD1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.28Å; S153-I157 PolarHBondContact O-N 2.84Å
154R56.2Low57.3Low216 Ų21695.7 Ų95.782%0.81549%0.49SS*.Hα-helixtrans-62-42.2-175.4-171.7175.9179.5175.1-0.7112.3D152 A158D152-R154 VanDerWaalsContact C-N 3.26Å; D152-R154 PolarHBondContact O-N 2.94Å; R154-A158 VanDerWaalsContact O-CB 3.29Å; R154-A158 WeakPolarHBondContact O-CB 3.31Å; R154-A158 PolarHBondContact O-N 3.33Å
155E64.3Low57.4Low148 Ų14897.4 Ų97.469%0.69250%0.498SS*.Hα-helixtrans-73.8-39.1-179.8-168.3166.4-159.400111.4S153 A158 S159S153-E155 PolarHBondContact O-N 3.33Å; E155-A158 PolarHBondContact O-N 3Å; E155-S159 WeakPolarHBondContact O-CB 3.48Å; E155-S159 PolarHBondContact O-N 3.05Å
156R58.7Low57.4Low102 Ų10297.5 Ų97.539%0.38550%0.499SS..Hα-helixtrans-62.2-43.6173.4-68.4179.170.6-156.1-0.1111.9G145 L146 S153 S159 Y160G145-R156 PolarHBondContact O-NH1 3.32Å; L146-R156 HydrophobicContact CD2-CB 3.85Å; S153-R156 PolarHBondContact O-N 3.46Å; R156-S159 PolarHBondContact O-N 2.94Å; R156-Y160 WeakPolarHBondContact O-CB 3.45Å; R156-Y160 PolarHBondContact O-N 3.24Å
157I63.5Low57.4Low53 Ų5396.4 Ų96.427%0.27250%0.498SS..Hα-helixtrans-65.4-41.5175.9-67.7164000110.6L146 S153 K161L146-I157 HydrophobicContact CD2-CG1 3.78Å; S153-I157 WeakPolarHBondContact O-CB 3.5Å; S153-I157 WeakPolarHBondContact O-CD1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.28Å; S153-I157 PolarHBondContact O-N 2.84Å; I157-K161 HydrophobicContact CG2-CD 4.22Å; I157-K161 WeakPolarHBondContact O-CB 3.34Å; I157-K161 VanDerWaalsContact O-CG 3.29Å; I157-K161 WeakPolarHBondContact O-CG 3.35Å; I157-K161 PolarHBondContact O-N 3.16Å
158A64.6Low57.4Low38 Ų3898.6 Ų98.631%0.31450%0.502SS..Hα-helixtrans-65.9-42.2177.200000112.1R154 E155 K161 R162R154-A158 VanDerWaalsContact O-CB 3.29Å; R154-A158 WeakPolarHBondContact O-CB 3.31Å; R154-A158 PolarHBondContact O-N 3.33Å; E155-A158 PolarHBondContact O-N 3Å; A158-K161 PolarHBondContact O-N 2.88Å; A158-R162 WeakPolarHBondContact O-CG 3.37Å; A158-R162 PolarHBondContact O-N 2.97Å
159S66.7Low57Low58 Ų58101.8 Ų101.841%0.40650%0.504SS..Hα-helixtrans-63.8-45.4176-1760000111.7E155 R156 K161 R162 H163E155-S159 WeakPolarHBondContact O-CB 3.48Å; E155-S159 PolarHBondContact O-N 3.05Å; R156-S159 PolarHBondContact O-N 2.94Å; S159-K161 PolarHBondContact O-N 3.02Å; S159-R162 PolarHBondContact O-N 3.13Å; S159-H163 PolarHBondContact O-N 2.9Å
160Y62.9Low56.6Low103 Ų103100 Ų10040%0.40449%0.492SS..Hα-helixtrans-57-51.5173.3-177.8-100.6000110.8L146 R156 R162 H163 T164L146-Y160 HydrophobicContact CD1-CD2 4.47Å; L146-Y160 HydrophobicContact CD1-CG 4.38Å; R156-Y160 WeakPolarHBondContact O-CB 3.45Å; R156-Y160 PolarHBondContact O-N 3.24Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-R162 PolarHBondContact O-N 2.82Å; Y160-H163 PolarHBondContact O-N 2.84Å; Y160-T164 PolarHBondContact O-N 2.96Å; Y160-T164 PolarHBondContact O-OG1 3.49Å
161K65.1Low56.3Low119 Ų119101.1 Ų101.152%0.51750%0.503SS..Hα-helixtrans-58-42.5177.2-74-178.1177.9-173.80112.4I157 A158 S159 H163 F165I157-K161 HydrophobicContact CG2-CD 4.22Å; I157-K161 WeakPolarHBondContact O-CB 3.34Å; I157-K161 VanDerWaalsContact O-CG 3.29Å; I157-K161 WeakPolarHBondContact O-CG 3.35Å; I157-K161 PolarHBondContact O-N 3.16Å; A158-K161 PolarHBondContact O-N 2.88Å; S159-K161 PolarHBondContact O-N 3.02Å; K161-H163 PolarHBondContact O-N 3.41Å; K161-F165 HydrophobicContact CB-CD2 4.05Å; K161-F165 HydrophobicContact CB-CE2 4.38Å; K161-F165 HydrophobicContact CG-CD2 4.31Å; K161-F165 HydrophobicContact CG-CE2 4.13Å; K161-F165 VanDerWaalsContact O-CB 3.32Å; K161-F165 WeakPolarHBondContact O-CB 3.33Å; K161-F165 WeakPolarHBondContact O-CD2 3.47Å; K161-F165 PolarHBondContact O-N 2.95Å
162R65Low56Low194 Ų194100.9 Ų100.973%0.73250%0.495SS*.Hα-helixtrans-62.6-41.4177.6-75.7-179.5-167.2159.13.8112.4A158 S159 Y160 G166A158-R162 WeakPolarHBondContact O-CG 3.37Å; A158-R162 PolarHBondContact O-N 2.97Å; S159-R162 PolarHBondContact O-N 3.13Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-R162 PolarHBondContact O-N 2.82Å; R162-G166 VanDerWaalsContact O-CA 3.25Å; R162-G166 WeakPolarHBondContact O-CA 3.43Å; R162-G166 PolarHBondContact O-N 3.03Å
163H61.9Low55.6Low111 Ų11199.1 Ų99.151%0.51449%0.493SS..Hα-helixtrans-72.1-43.7179.1-88.3-71.9000112.6S159 Y160 K161 S167S159-H163 PolarHBondContact O-N 2.9Å; Y160-H163 PolarHBondContact O-N 2.84Å; K161-H163 PolarHBondContact O-N 3.41Å; H163-S167 WeakPolarHBondContact O-CB 3.39Å; H163-S167 PolarHBondContact O-N 3.18Å; H163-S167 PolarHBondContact O-OG 3.36Å
164T58.6Low55.3Low47 Ų47108.2 Ų108.229%0.28852%0.524SS..Hα-helixtrans-70.7-44.8-178.7-37.50000111.1Y160 S167 I168Y160-T164 PolarHBondContact O-N 2.96Å; Y160-T164 PolarHBondContact O-OG1 3.49Å; T164-S167 PolarHBondContact O-OG 3.45Å; T164-S167 VanDerWaalsContact O-OG 3.08Å; T164-I168 VanDerWaalsContact O-CD1 3.24Å; T164-I168 WeakPolarHBondContact O-CD1 3.29Å; T164-I168 VanDerWaalsContact O-CG1 3.23Å; T164-I168 WeakPolarHBondContact O-CG1 3.35Å
165F53.1Low55.1Low122 Ų122103.4 Ų103.454%0.53551%0.511SS..Hα-helixtrans-86.7-31.7-177.3-64.5-72.8000113.5K161 S167 I168 E169K161-F165 HydrophobicContact CB-CD2 4.05Å; K161-F165 HydrophobicContact CB-CE2 4.38Å; K161-F165 HydrophobicContact CG-CD2 4.31Å; K161-F165 HydrophobicContact CG-CE2 4.13Å; K161-F165 VanDerWaalsContact O-CB 3.32Å; K161-F165 WeakPolarHBondContact O-CB 3.33Å; K161-F165 WeakPolarHBondContact O-CD2 3.47Å; K161-F165 PolarHBondContact O-N 2.95Å; F165-S167 VanDerWaalsContact C-N 3.33Å; F165-S167 PolarHBondContact O-N 3.45Å; F165-I168 HydrophobicContact CD1-CD1 4.44Å; F165-I168 PolarHBondContact O-N 3.48Å; F165-E169 PolarHBondContact O-N 2.84Å
166G46.9Very low54.7Low28 Ų28101.6 Ų101.629%0.28951%0.505SS..Hα-helixtrans-68.4-31176.300000113.2R162 M170R162-G166 VanDerWaalsContact O-CA 3.25Å; R162-G166 WeakPolarHBondContact O-CA 3.43Å; R162-G166 PolarHBondContact O-N 3.03Å; G166-M170 WeakPolarHBondContact O-CB 3.48Å; G166-M170 PolarHBondContact O-N 2.87Å; G166-M170 VanDerWaalsContact O-N 3.13Å
167S49.3Very low54.9Low57 Ų5799.6 Ų99.640%0.39950%0.502SS..Hα-helixtrans-72.3-32.5171.859.20000112.4H163 T164 F165 S171H163-S167 WeakPolarHBondContact O-CB 3.39Å; H163-S167 PolarHBondContact O-N 3.18Å; H163-S167 PolarHBondContact O-OG 3.36Å; T164-S167 PolarHBondContact O-OG 3.45Å; T164-S167 VanDerWaalsContact O-OG 3.08Å; F165-S167 VanDerWaalsContact C-N 3.33Å; F165-S167 PolarHBondContact O-N 3.45Å; S167-S171 WeakPolarHBondContact O-CB 3.48Å; S167-S171 PolarHBondContact O-N 3.35Å; S167-S171 PolarHBondContact O-OG 2.84Å
168I45.3Very low55.3Low73 Ų73106.1 Ų106.137%0.37453%0.532SS..Hα-helixtrans-69.9-41.8175.1-66.7167.4000110.8T164 F165 S171 L172T164-I168 VanDerWaalsContact O-CD1 3.24Å; T164-I168 WeakPolarHBondContact O-CD1 3.29Å; T164-I168 VanDerWaalsContact O-CG1 3.23Å; T164-I168 WeakPolarHBondContact O-CG1 3.35Å; F165-I168 HydrophobicContact CD1-CD1 4.44Å; F165-I168 PolarHBondContact O-N 3.48Å; I168-S171 PolarHBondContact O-N 2.89Å; I168-L172 HydrophobicContact CG2-CD1 4.11Å; I168-L172 PolarHBondContact O-N 3.34Å
169E42.5Very low55.4Low145 Ų145113.8 Ų113.868%0.67855%0.554SS**Hα-helixtrans-70.6-34.3178.6-74.3-175.7164.700113.3F165 S171 S173F165-E169 PolarHBondContact O-N 2.84Å; E169-S171 VanDerWaalsContact C-N 3.32Å; E169-S173 PolarHBondContact O-OG 3.34Å
170M44.4Very low55.1Low134 Ų134113.7 Ų113.766%0.6656%0.562SS**Hα-helixtrans-73.8-21.2174.7-79.5-175.266.400113.8G166G166-M170 WeakPolarHBondContact O-CB 3.48Å; G166-M170 PolarHBondContact O-N 2.87Å; G166-M170 VanDerWaalsContact O-N 3.13Å
171S48.8Very low54.8Low86 Ų86114.7 Ų114.760%0.60157%0.57SS**Hα-helixtrans-83-24.9178.4-56.60000112.6S167 I168 E169S167-S171 WeakPolarHBondContact O-CB 3.48Å; S167-S171 PolarHBondContact O-N 3.35Å; S167-S171 PolarHBondContact O-OG 2.84Å; I168-S171 PolarHBondContact O-N 2.89Å; E169-S171 VanDerWaalsContact C-N 3.32Å
172L44.9Very low54.4Low146 Ų146113.4 Ų113.476%0.76457%0.574SS**SBendtrans-86-7.4-178.2-92.8152000114.4I168I168-L172 HydrophobicContact CG2-CD1 4.11Å; I168-L172 PolarHBondContact O-N 3.34Å
173S47.1Very low53.8Low85 Ų85107 Ų10759%0.59456%0.557SS**SBendtrans-119.422.4-16444.40000115E169E169-S173 PolarHBondContact O-OG 3.34Å
174R50.9Low53.3Low207 Ų207108.7 Ų108.778%0.78157%0.568SS**  trans-139.817-171.3-113.7-179.3-174.5179.31.5119.1I176R174-I176 PolarHBondContact O-N 2.89Å
175E51.9Low52.9Low116 Ų116113.3 Ų113.354%0.54258%0.584SS.*  trans-93.895.7168.3-127.4162.2172.400109.2P182 T183 F185E175-P182 CarbonylContact O-C 3.52Å; E175-P182 WeakPolarHBondContact O-CA 3.26Å; E175-T183 VanDerWaalsContact C-OG1 3.27Å; E175-T183 PolarHBondContact O-N 3.42Å; E175-T183 PolarHBondContact O-OG1 3.27Å; E175-F185 WeakPolarHBondContact OE2-CE2 3.43Å; E175-F185 WeakPolarHBondContact OE2-CZ 3.44Å
176I57.2Low52.3Low110 Ų110111.5 Ų111.556%0.56459%0.587SS**BIsolated β-bridgetrans-102.7129.2173.6-54.1173000105.8R174 G180 E181R174-I176 PolarHBondContact O-N 2.89Å; I176-G180 WeakPolarHBondContact CG2-O 3.48Å; I176-E181 CarbonylContact C-O 3.58Å; I176-E181 VanDerWaalsContact CA-O 3.31Å; I176-E181 WeakPolarHBondContact CA-O 3.21Å
177D62.7Low52.3Low60 Ų60116.2 Ų116.232%0.32161%0.61SS.*  trans-69.3177178732.7000112Y179 G180 E181D177-Y179 PolarHBondContact O-N 2.96Å; D177-Y179 VanDerWaalsContact OD1-C 3.26Å; D177-Y179 VanDerWaalsContact OD1-CA 3.27Å; D177-Y179 WeakPolarHBondContact OD1-CA 3.4Å; D177-Y179 WeakPolarHBondContact OD1-CB 3.34Å; D177-Y179 PolarHBondContact OD1-N 3.29Å; D177-G180 PolarHBondContact O-N 3.46Å; D177-G180 VanDerWaalsContact O-N 3.13Å; D177-G180 PolarHBondContact OD1-N 2.88Å; D177-E181 PolarHBondContact N-O 3.43Å; D177-E181 PolarHBondContact OD1-N 3.48Å
178E72.5Confident52.1Low190 Ų190120.2 Ų120.289%0.88862%0.622SS**THydrogen-bonded Turntrans-60.3-12.5176.7-66.2-178.7170.300113.4
179Y66.8Low51.9Low198 Ų198124.7 Ų124.778%0.77665%0.647SS**THydrogen-bonded Turntrans-103.21.4-179.1-60-78000113.7D177D177-Y179 PolarHBondContact O-N 2.96Å; D177-Y179 VanDerWaalsContact OD1-C 3.26Å; D177-Y179 VanDerWaalsContact OD1-CA 3.27Å; D177-Y179 WeakPolarHBondContact OD1-CA 3.4Å; D177-Y179 WeakPolarHBondContact OD1-CB 3.34Å; D177-Y179 PolarHBondContact OD1-N 3.29Å
180G59.2Low51.8Low56 Ų56124.2 Ų124.258%0.57765%0.649SS**SBendtrans84.68.8-179.700000114.3I176 D177I176-G180 WeakPolarHBondContact CG2-O 3.48Å; D177-G180 PolarHBondContact O-N 3.46Å; D177-G180 VanDerWaalsContact O-N 3.13Å; D177-G180 PolarHBondContact OD1-N 2.88Å
181E57.3Low51.7Low125 Ų125123.5 Ų123.558%0.58465%0.652SS**  trans-95.2137.9179.6-67.4-84.5148.900110.4I176 D177 T183I176-E181 CarbonylContact C-O 3.58Å; I176-E181 VanDerWaalsContact CA-O 3.31Å; I176-E181 WeakPolarHBondContact CA-O 3.21Å; D177-E181 PolarHBondContact N-O 3.43Å; D177-E181 PolarHBondContact OD1-N 3.48Å; E181-T183 PolarHBondContact O-N 2.9Å; E181-T183 VanDerWaalsContact O-N 3.16Å
182P55.9Low51.3Low92 Ų92129.7 Ų129.760%0.59767%0.668SS**BIsolated β-bridgetrans-62.5120172.825.6-30.8000109.4E175 I184E175-P182 CarbonylContact O-C 3.52Å; E175-P182 WeakPolarHBondContact O-CA 3.26Å; P182-I184 VanDerWaalsContact C-N 3.33Å; P182-I184 PolarHBondContact O-N 2.76Å
183T53.2Low51.5Low60 Ų60125.5 Ų125.537%0.36866%0.655SS.*  trans-65.194.1175.8-23.70000107.7E175 E181 F185E175-T183 VanDerWaalsContact C-OG1 3.27Å; E175-T183 PolarHBondContact O-N 3.42Å; E175-T183 PolarHBondContact O-OG1 3.27Å; E181-T183 PolarHBondContact O-N 2.9Å; E181-T183 VanDerWaalsContact O-N 3.16Å; T183-F185 PolarHBondContact O-N 2.97Å; T183-F185 VanDerWaalsContact O-N 3.13Å
184I51.6Low51.5Low146 Ų146127.4 Ų127.475%0.74967%0.665SS**  trans-68.2109.3164.2-59.7173000104.2P182 S186P182-I184 VanDerWaalsContact C-N 3.33Å; P182-I184 PolarHBondContact O-N 2.76Å; I184-S186 PolarHBondContact O-N 2.99Å
185F49.8Very low51.5Low144 Ų144123.7 Ų123.763%0.63267%0.665SS**  trans-58.998.3160.6-73.3-83000106.6E175 T183 V187E175-F185 WeakPolarHBondContact OE2-CE2 3.43Å; E175-F185 WeakPolarHBondContact OE2-CZ 3.44Å; T183-F185 PolarHBondContact O-N 2.97Å; T183-F185 VanDerWaalsContact O-N 3.13Å; F185-V187 PolarHBondContact O-N 3.48Å
186S41.2Very low51.5Low84 Ų84126.9 Ų126.959%0.58768%0.68SS**  trans-63.697.4155.157.60000104.8I184 E188I184-S186 PolarHBondContact O-N 2.99Å; S186-E188 PolarHBondContact O-N 3.01Å
187V46.9Very low51.3Low127 Ų127127.3 Ų127.377%0.7769%0.688SS**  trans-63.785.6150.4-178.10000103.1F185 D189F185-V187 PolarHBondContact O-N 3.48Å; V187-D189 PolarHBondContact O-N 3.32Å
188E44.4Very low50.9Low141 Ų141129.8 Ų129.866%0.65971%0.707SS**  trans-54.2128.5164.5-75.1173.4150.900105.3S186 D190S186-E188 PolarHBondContact O-N 3.01Å; E188-D190 PolarHBondContact O-N 3.17Å
189D40.2Very low50.1Low166 Ų166129.8 Ų129.889%0.88871%0.708SS**  trans-60.971.5172.7-76.3-48.3000108.9V187 V191V187-D189 PolarHBondContact O-N 3.32Å; D189-V191 VanDerWaalsContact C-N 3.27Å; D189-V191 PolarHBondContact O-N 3.03Å
190D41.5Very low49.8Very low135 Ų135125.1 Ų125.172%0.72270%0.699SS**  trans-74.989.4171.6-93.8-15.8000107.6E188 F192E188-D190 PolarHBondContact O-N 3.17Å; D190-F192 PolarHBondContact O-N 3.01Å
191V40.9Very low50.1Low119 Ų119127.2 Ų127.272%0.72170%0.697SS**  trans51.175.4141.1-166.70000113.4D189 A193D189-V191 VanDerWaalsContact C-N 3.27Å; D189-V191 PolarHBondContact O-N 3.03Å; V191-A193 HydrophobicContact CG1-CB 4.41Å; V191-A193 PolarHBondContact O-N 3.39Å
192F41.9Very low50.7Low216 Ų216127.8 Ų127.895%0.94770%0.702SS**  trans-65.583.8147.2-87.7-84.7000107.8D190D190-F192 PolarHBondContact O-N 3.01Å
193A48.5Very low51.7Low59 Ų59126.7 Ų126.749%0.48870%0.697SS.*  trans-56.5130.7153.700000106.6V191 V195V191-A193 HydrophobicContact CG1-CB 4.41Å; V191-A193 PolarHBondContact O-N 3.39Å; A193-V195 VanDerWaalsContact C-N 3.35Å; A193-V195 PolarHBondContact O-N 2.91Å
194P47.6Very low52.5Low125 Ų125130.6 Ų130.681%0.81271%0.706SS**  trans-62.2103.2172.525.1-30.3000107.1E196P194-E196 PolarHBondContact O-N 3.19Å; P194-E196 VanDerWaalsContact O-N 3.1Å
195V50Low53.3Low129 Ų129127.9 Ų127.978%0.78269%0.692SS**  trans-62112.9165.2171.80000104.9A193 T197A193-V195 VanDerWaalsContact C-N 3.35Å; A193-V195 PolarHBondContact O-N 2.91Å; V195-T197 PolarHBondContact O-N 3.35Å
196E52.8Low54.4Low183 Ų183127.2 Ų127.286%0.85569%0.691SS**  trans-47.3107.9169.6-71.5178.916100107.6P194P194-E196 PolarHBondContact O-N 3.19Å; P194-E196 VanDerWaalsContact O-N 3.1Å
197T52.6Low56Low118 Ų118126 Ų12672%0.72468%0.683SS**  trans-58.3125.9171.842.60000106.7V195 E199V195-T197 PolarHBondContact O-N 3.35Å; T197-E199 PolarHBondContact O-N 2.95Å; T197-E199 VanDerWaalsContact O-N 3.17Å
198P54Low56.9Low112 Ų112124.1 Ų124.173%0.72767%0.665SS**  trans-54.2129.317123.5-31.5000107T200P198-T200 PolarHBondContact O-N 3.38Å
199E55.6Low58Low191 Ų191123.3 Ų123.389%0.89367%0.665SS**  trans-51.4102.4177.5-69-177157.700108.1T197 D201T197-E199 PolarHBondContact O-N 2.95Å; T197-E199 VanDerWaalsContact O-N 3.17Å; E199-D201 PolarHBondContact O-N 3.41Å
200T60.6Low59.2Low99 Ų99120.5 Ų120.561%0.60765%0.649SS**  trans-65.6104.8176.2-50.30000105.9P198 M202 L205P198-T200 PolarHBondContact O-N 3.38Å; T200-M202 VanDerWaalsContact C-N 3.3Å; T200-M202 PolarHBondContact O-N 3.48Å; T200-L205 HydrophobicContact CG2-CD1 3.9Å
201D65.3Low60.3Low100 Ų100117.2 Ų117.254%0.53564%0.637SS.*  trans-65.692.9178.9-167.7-6.9000108.8E199 S203 Y204 L205E199-D201 PolarHBondContact O-N 3.41Å; D201-S203 VanDerWaalsContact CG-OG 3.24Å; D201-S203 PolarHBondContact O-N 2.97Å; D201-S203 VanDerWaalsContact O-N 3.09Å; D201-S203 WeakPolarHBondContact OD1-CB 3.41Å; D201-S203 PolarHBondContact OD1-N 2.94Å; D201-S203 PolarHBondContact OD1-OG 2.99Å; D201-S203 PolarHBondContact OD2-OG 3.49Å; D201-Y204 WeakPolarHBondContact O-CB 3.45Å; D201-Y204 PolarHBondContact O-N 3Å; D201-L205 PolarHBondContact O-N 2.94Å
202M71.2Confident61Low138 Ų138116.2 Ų116.268%0.6863%0.627SS**Hα-helixtrans-55.8-26.7179.5-70.2-68-72.200111.1T200 L205 E206T200-M202 VanDerWaalsContact C-N 3.3Å; T200-M202 PolarHBondContact O-N 3.48Å; M202-L205 PolarHBondContact O-N 3.48Å; M202-E206 PolarHBondContact O-N 3.5Å
203S75.1Confident61.4Low69 Ų69115.4 Ų115.448%0.48362%0.618SS.*Hα-helixtrans-68.6-33.4177.579.40000112.7D201 E206 S207D201-S203 VanDerWaalsContact CG-OG 3.24Å; D201-S203 PolarHBondContact O-N 2.97Å; D201-S203 VanDerWaalsContact O-N 3.09Å; D201-S203 WeakPolarHBondContact OD1-CB 3.41Å; D201-S203 PolarHBondContact OD1-N 2.94Å; D201-S203 PolarHBondContact OD1-OG 2.99Å; D201-S203 PolarHBondContact OD2-OG 3.49Å; S203-E206 PolarHBondContact O-N 3.47Å; S203-S207 WeakPolarHBondContact O-CB 3.42Å; S203-S207 PolarHBondContact O-N 3.34Å
204Y70.2Confident61.7Low142 Ų142123.3 Ų123.356%0.55764%0.635SS**Hα-helixtrans-68.6-43.3175.5-177.5-103.9000111.3D201 S207 Q208D201-Y204 WeakPolarHBondContact O-CB 3.45Å; D201-Y204 PolarHBondContact O-N 3Å; Y204-S207 PolarHBondContact O-N 3.26Å; Y204-S207 PolarHBondContact O-OG 3.41Å; Y204-Q208 HydrophobicContact CE1-CG 4.17Å; Y204-Q208 WeakPolarHBondContact O-CG 3.35Å; Y204-Q208 PolarHBondContact O-N 3.46Å; Y204-Q208 VanDerWaalsContact O-N 3.09Å; Y204-Q208 PolarHBondContact OH-NE2 3.45Å; Y204-Q208 VanDerWaalsContact OH-NE2 3.11Å
205L68.6Low62Low88 Ų88122.5 Ų122.546%0.46163%0.628SS.*Hα-helixtrans-63.2-40.3174.6-78168000112.1T200 D201 M202 Q208 L209T200-L205 HydrophobicContact CG2-CD1 3.9Å; D201-L205 PolarHBondContact O-N 2.94Å; M202-L205 PolarHBondContact O-N 3.48Å; L205-Q208 PolarHBondContact O-N 3.38Å; L205-L209 WeakPolarHBondContact O-CG 3.25Å; L205-L209 PolarHBondContact O-N 3.03Å; L205-L209 VanDerWaalsContact O-N 3.09Å
206E73.8Confident61.9Low131 Ų131125.9 Ų125.961%0.61263%0.628SS**Hα-helixtrans-65.9-37.9175.9-126.6177.1-175.500112.1M202 S203 L209 L210M202-E206 PolarHBondContact O-N 3.5Å; S203-E206 PolarHBondContact O-N 3.47Å; E206-L209 PolarHBondContact O-N 3.02Å; E206-L210 WeakPolarHBondContact O-CB 3.03Å; E206-L210 WeakPolarHBondContact O-CG 3.45Å; E206-L210 PolarHBondContact O-N 3.36Å
207S74.4Confident61.6Low59 Ų59124.2 Ų124.241%0.41363%0.625SS.*Hα-helixtrans-65.1-39.4176.679.10000112.8S203 Y204 L210 S211S203-S207 WeakPolarHBondContact O-CB 3.42Å; S203-S207 PolarHBondContact O-N 3.34Å; Y204-S207 PolarHBondContact O-N 3.26Å; Y204-S207 PolarHBondContact O-OG 3.41Å; S207-L210 PolarHBondContact O-N 3.02Å; S207-S211 WeakPolarHBondContact O-CB 3.38Å; S207-S211 PolarHBondContact O-N 2.94Å; S207-S211 PolarHBondContact O-OG 3.38Å
208Q67.1Low61.2Low86 Ų86134.3 Ų134.340%0.40265%0.65SS.*Hα-helixtrans-67.1-36.8175.3-77.3-94.9-7.700112.1Y204 L205 S211 N212Y204-Q208 HydrophobicContact CE1-CG 4.17Å; Y204-Q208 WeakPolarHBondContact O-CG 3.35Å; Y204-Q208 PolarHBondContact O-N 3.46Å; Y204-Q208 VanDerWaalsContact O-N 3.09Å; Y204-Q208 PolarHBondContact OH-NE2 3.45Å; Y204-Q208 VanDerWaalsContact OH-NE2 3.11Å; L205-Q208 PolarHBondContact O-N 3.38Å; Q208-S211 PolarHBondContact O-OG 3.34Å; Q208-S211 VanDerWaalsContact O-OG 3.05Å; Q208-N212 WeakPolarHBondContact O-CB 3.46Å; Q208-N212 PolarHBondContact O-N 3.36Å; Q208-N212 PolarHBondContact O-ND2 2.97Å
209L65.6Low61.6Low125 Ų125135.5 Ų135.565%0.65465%0.646SS**Hα-helixtrans-71.3-40.2175.5-75.1167000111.8L205 E206 R213L205-L209 WeakPolarHBondContact O-CG 3.25Å; L205-L209 PolarHBondContact O-N 3.03Å; L205-L209 VanDerWaalsContact O-N 3.09Å; E206-L209 PolarHBondContact O-N 3.02Å; L209-R213 WeakPolarHBondContact O-CB 3.35Å; L209-R213 PolarHBondContact O-N 2.74Å; L209-R213 VanDerWaalsContact O-N 3.11Å
210L66Low61.9Low106 Ų106132.5 Ų132.556%0.55563%0.633SS**Hα-helixtrans-73.1-33.2177.7-73.2169.5000113E206 S207 R213E206-L210 WeakPolarHBondContact O-CB 3.03Å; E206-L210 WeakPolarHBondContact O-CG 3.45Å; E206-L210 PolarHBondContact O-N 3.36Å; S207-L210 PolarHBondContact O-N 3.02Å; L210-R213 PolarHBondContact O-N 2.83Å
211S64.1Low61.9Low66 Ų66134.4 Ų134.446%0.46263%0.634SS.*Hα-helixtrans-67.3-38.3174.866.20000111.7S207 Q208S207-S211 WeakPolarHBondContact O-CB 3.38Å; S207-S211 PolarHBondContact O-N 2.94Å; S207-S211 PolarHBondContact O-OG 3.38Å; Q208-S211 PolarHBondContact O-OG 3.34Å; Q208-S211 VanDerWaalsContact O-OG 3.05Å
212N55.9Low61.7Low99 Ų99136.4 Ų136.453%0.52964%0.64SS.*Hα-helixtrans-73.9-26.4175.9-77.3-28.3000112.9Q208 R214 V215Q208-N212 WeakPolarHBondContact O-CB 3.46Å; Q208-N212 PolarHBondContact O-N 3.36Å; Q208-N212 PolarHBondContact O-ND2 2.97Å; N212-R214 VanDerWaalsContact C-N 3.3Å; N212-R214 PolarHBondContact O-N 3.1Å; N212-V215 PolarHBondContact O-N 3.3Å
213R51.6Low61.2Low199 Ų199136.3 Ų136.375%0.75164%0.638SS**Hα-helixtrans-72.7-17.7179-147.8175.7-173.3-175.52114L209 L210 V215L209-R213 WeakPolarHBondContact O-CB 3.35Å; L209-R213 PolarHBondContact O-N 2.74Å; L209-R213 VanDerWaalsContact O-N 3.11Å; L210-R213 PolarHBondContact O-N 2.83Å; R213-V215 VanDerWaalsContact C-N 3.3Å
214R53.1Low60.2Low225 Ų225140.8 Ų140.885%0.84965%0.648SS**THydrogen-bonded Turntrans-78.2-9174.1-78.8-171.4-174.7177.53.3114.3N212 Y216N212-R214 VanDerWaalsContact C-N 3.3Å; N212-R214 PolarHBondContact O-N 3.1Å; R214-Y216 VanDerWaalsContact C-N 3.33Å
215V53.8Low59.5Low108 Ų108140.7 Ų140.766%0.65566%0.655SS**THydrogen-bonded Turntrans-83.8-9.8179.8-174.40000112.3N212 R213N212-V215 PolarHBondContact O-N 3.3Å; R213-V215 VanDerWaalsContact C-N 3.3Å
216Y48.1Very low58.8Low200 Ų200144.8 Ų144.878%0.78467%0.67SS**SBendtrans-11544.3-177.4-75.1-80.8000114.4R214R214-Y216 VanDerWaalsContact C-N 3.33Å
217N47.3Very low57.6Low147 Ų147145.9 Ų145.979%0.78667%0.674SS**  trans-127.563.7166.7-91.4-16.2000110
218W44Very low56.1Low331 Ų331153.8 Ų153.8100%1.25470%0.698SS**  trans-135.60160.5-98.562000107.9

Retrieved 218 of 218 residues in 567.8 ms (Link to these results)