A0A077ZED7_TRITR Loading...

DNA-binding transcriptional regulator NtrC

AlphaFold DB , UniProt , Accession A0A077ZED7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 413 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
1M62.4Low79.2Confident144 Ų14476.8 Ų76.871%0.70947%0.473SS*.  0147.40-62.9179.5-64.700107.8G3 L9M1-G3 PolarHBondContact O-N 3.11Å; M1-L9 HydrophobicContact CE-CB 4.39Å; M1-L9 HydrophobicContact CE-CD2 3.84Å
2P65.8Low79.9Confident138 Ų13877.5 Ų77.590%0.89647%0.467SS*.  trans-62.5129.4173.219.9-23.4000110M4P2-M4 PolarHBondContact O-N 2.98Å
3G75.1Confident80.6Confident94 Ų9474.9 Ų74.997%0.96945%0.448SS*.SBendtrans99-67.6177.300000115M1M1-G3 PolarHBondContact O-N 3.11Å
4M80.4Confident80.7Confident73 Ų7372.2 Ų72.236%0.3643%0.428SS..SBendtrans-121137.1-173.8-172178.4-69.200111.5P2 A8 L9P2-M4 PolarHBondContact O-N 2.98Å; M4-A8 HydrophobicContact CG-CB 3.86Å; M4-A8 HydrophobicContact SD-CB 4.4Å; M4-L9 HydrophobicContact SD-CB 4.01Å; M4-L9 HydrophobicContact SD-CD1 4.34Å
5D82.8Confident80.9Confident105 Ų10575.7 Ų75.756%0.56144%0.438SS*.  trans-66.5145172.7-179.328.6000111.4L7 A8 L9D5-L7 VanDerWaalsContact C-N 3.28Å; D5-L7 PolarHBondContact O-N 3.16Å; D5-A8 HydrophobicContact CB-CB 4.28Å; D5-A8 WeakPolarHBondContact O-CB 3.3Å; D5-A8 PolarHBondContact O-N 3Å; D5-A8 VanDerWaalsContact O-N 3.1Å; D5-L9 PolarHBondContact O-N 3.18Å
6G81.2Confident81.3Confident29 Ų2982.9 Ų82.930%0.29946%0.456SS..Hα-helixtrans-61.4-36.2-175.900000113.1L9 L10G6-L9 PolarHBondContact O-N 2.89Å; G6-L10 PolarHBondContact O-N 3.42Å
7L79.9Confident81.6Confident40 Ų4084.8 Ų84.821%0.20946%0.46CS..Hα-helixtrans-67.6-42.1174-67.8173.3000111.6D5 L9 L10 K11 I24 S36 Q40D5-L7 VanDerWaalsContact C-N 3.28Å; D5-L7 PolarHBondContact O-N 3.16Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 3.11Å; L7-L10 WeakPolarHBondContact O-CB 3.41Å; L7-L10 PolarHBondContact O-N 2.99Å; L7-K11 PolarHBondContact O-N 2.67Å; L7-I24 HydrophobicContact CD2-CD1 4.15Å; L7-S36 WeakPolarHBondContact CD1-OG 3.3Å; L7-Q40 PolarHBondContact O-OE1 2.93Å
8A83.9Confident81.4Confident44 Ų4483.2 Ų83.236%0.36445%0.454SS..Hα-helixtrans-60.3-38.917500000112M4 D5 K11 Q12M4-A8 HydrophobicContact CG-CB 3.86Å; M4-A8 HydrophobicContact SD-CB 4.4Å; D5-A8 HydrophobicContact CB-CB 4.28Å; D5-A8 WeakPolarHBondContact O-CB 3.3Å; D5-A8 PolarHBondContact O-N 3Å; D5-A8 VanDerWaalsContact O-N 3.1Å; A8-K11 PolarHBondContact O-N 2.88Å; A8-Q12 PolarHBondContact O-N 3.09Å
9L87.9Confident81.2Confident66 Ų6682.1 Ų82.135%0.34645%0.447SS..Hα-helixtrans-65-46173.7179.162.4000112M1 M4 D5 G6 L7 K11 Q12 I13M1-L9 HydrophobicContact CE-CB 4.39Å; M1-L9 HydrophobicContact CE-CD2 3.84Å; M4-L9 HydrophobicContact SD-CB 4.01Å; M4-L9 HydrophobicContact SD-CD1 4.34Å; D5-L9 PolarHBondContact O-N 3.18Å; G6-L9 PolarHBondContact O-N 2.89Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 3.11Å; L9-K11 VanDerWaalsContact C-N 3.27Å; L9-K11 PolarHBondContact O-N 3.26Å; L9-Q12 PolarHBondContact O-N 2.91Å; L9-Q12 VanDerWaalsContact O-N 3.11Å; L9-I13 HydrophobicContact CD1-CD1 4.11Å; L9-I13 HydrophobicContact CD1-CG1 4.23Å; L9-I13 HydrophobicContact CD2-CD1 4.4Å; L9-I13 HydrophobicContact CG-CD1 3.83Å; L9-I13 HydrophobicContact CG-CG1 4.37Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.02Å
10L86.6Confident81.4Confident2 Ų281.7 Ų81.71%0.0144%0.444CS..Hα-helixtrans-54.6-45.9176.2171.463.5000111.1G6 L7 Q12 I13 K14 V22 I24 A37 Q40 A42G6-L10 PolarHBondContact O-N 3.42Å; L7-L10 WeakPolarHBondContact O-CB 3.41Å; L7-L10 PolarHBondContact O-N 2.99Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-Q12 PolarHBondContact O-N 3.36Å; L10-I13 PolarHBondContact O-N 3.48Å; L10-K14 HydrophobicContact CD1-CG 3.77Å; L10-K14 HydrophobicContact CG-CG 4.43Å; L10-K14 WeakPolarHBondContact O-CG 3.36Å; L10-K14 PolarHBondContact O-N 3.1Å; L10-V22 HydrophobicContact CD1-CB 3.7Å; L10-V22 HydrophobicContact CD1-CG1 3.73Å; L10-V22 HydrophobicContact CD1-CG2 3.99Å; L10-I24 HydrophobicContact CB-CD1 4.44Å; L10-I24 HydrophobicContact CD2-CD1 3.55Å; L10-A37 WeakPolarHBondContact CD2-O 3.33Å; L10-Q40 HydrophobicContact CD2-CB 3.44Å; L10-Q40 VanDerWaalsContact CD2-CB 3.44Å; L10-Q40 HydrophobicContact CG-CB 4.02Å; L10-A42 HydrophobicContact CD2-CB 3.97Å
11K85.2Confident81.6Confident110 Ų11079.2 Ų79.248%0.47843%0.432SS..Hα-helixtrans-58-43.9177.7-171.4178.7-179.3178.50111.9L7 A8 L9 Q15L7-K11 PolarHBondContact O-N 2.67Å; A8-K11 PolarHBondContact O-N 2.88Å; L9-K11 VanDerWaalsContact C-N 3.27Å; L9-K11 PolarHBondContact O-N 3.26Å; K11-Q15 VanDerWaalsContact O-CG 3.26Å; K11-Q15 WeakPolarHBondContact O-CG 3.48Å; K11-Q15 PolarHBondContact O-N 3.16Å; K11-Q15 VanDerWaalsContact O-N 3.12Å
12Q87Confident82.8Confident85 Ų8573.5 Ų73.540%0.39741%0.405SS..Hα-helixtrans-66.9-41.3177.4-69.8-173.91.700112.5A8 L9 L10 Q15 R16A8-Q12 PolarHBondContact O-N 3.09Å; L9-Q12 PolarHBondContact O-N 2.91Å; L9-Q12 VanDerWaalsContact O-N 3.11Å; L10-Q12 VanDerWaalsContact C-N 3.33Å; L10-Q12 PolarHBondContact O-N 3.36Å; Q12-Q15 PolarHBondContact O-N 3.43Å; Q12-R16 PolarHBondContact O-N 3.49Å
13I89Confident83.8Confident44 Ų4469.1 Ų69.123%0.22637%0.374CS..Hα-helixtrans-61.1-48.8177.5-68.8169.7000110L9 L10 Q15 R16 H17 L20 V22L9-I13 HydrophobicContact CD1-CD1 4.11Å; L9-I13 HydrophobicContact CD1-CG1 4.23Å; L9-I13 HydrophobicContact CD2-CD1 4.4Å; L9-I13 HydrophobicContact CG-CD1 3.83Å; L9-I13 HydrophobicContact CG-CG1 4.37Å; L9-I13 WeakPolarHBondContact O-CG1 3.46Å; L9-I13 PolarHBondContact O-N 3.02Å; L10-I13 PolarHBondContact O-N 3.48Å; I13-Q15 VanDerWaalsContact C-N 3.31Å; I13-Q15 PolarHBondContact O-N 2.99Å; I13-R16 PolarHBondContact O-N 2.82Å; I13-H17 CarbonylContact O-C 3.59Å; I13-H17 WeakPolarHBondContact O-CA 3.37Å; I13-H17 PolarHBondContact O-N 3.49Å; I13-L20 HydrophobicContact CG2-CD2 3.8Å; I13-V22 HydrophobicContact CG2-CG2 3.72Å
14K82.5Confident84.3Confident37 Ų3766.1 Ų66.116%0.16134%0.335CS..Hα-helixtrans-69.4-25.7-177.7-70.4-70.8174.7166.10114L10 P18 L20 G41L10-K14 HydrophobicContact CD1-CG 3.77Å; L10-K14 HydrophobicContact CG-CG 4.43Å; L10-K14 WeakPolarHBondContact O-CG 3.36Å; L10-K14 PolarHBondContact O-N 3.1Å; K14-P18 VanDerWaalsContact O-CA 3.27Å; K14-P18 WeakPolarHBondContact O-CA 3.31Å; K14-P18 WeakPolarHBondContact O-CG 3.39Å; K14-L20 VanDerWaalsContact CE-O 3.22Å; K14-L20 WeakPolarHBondContact CE-O 3.37Å; K14-L20 PolarHBondContact NZ-O 3.47Å; K14-G41 WeakPolarHBondContact CE-O 3.38Å; K14-G41 PolarHBondContact NZ-O 3Å
15Q84.2Confident84.6Confident124 Ų12467.8 Ų67.858%0.57934%0.343SS*.Hα-helixtrans-69.6-38.4171.7-77174.3-9.200112.7K11 Q12 I13K11-Q15 VanDerWaalsContact O-CG 3.26Å; K11-Q15 WeakPolarHBondContact O-CG 3.48Å; K11-Q15 PolarHBondContact O-N 3.16Å; K11-Q15 VanDerWaalsContact O-N 3.12Å; Q12-Q15 PolarHBondContact O-N 3.43Å; I13-Q15 VanDerWaalsContact C-N 3.31Å; I13-Q15 PolarHBondContact O-N 2.99Å
16R87.2Confident84.1Confident192 Ų19264 Ų6473%0.72532%0.324SS*.Hα-helixtrans-87.7-35-178.6-67.1-178.4-179.8178.50.9113.2Q12 I13Q12-R16 PolarHBondContact O-N 3.49Å; I13-R16 PolarHBondContact O-N 2.82Å
17H85.9Confident83.4Confident115 Ų11566.2 Ų66.253%0.53234%0.339SS..  trans-134.775.5-177.2-55.8-74.6000109.7I13 M19 L20I13-H17 CarbonylContact O-C 3.59Å; I13-H17 WeakPolarHBondContact O-CA 3.37Å; I13-H17 PolarHBondContact O-N 3.49Å; H17-M19 PolarHBondContact O-N 3.3Å; H17-L20 HydrophobicContact CB-CB 3.79Å; H17-L20 HydrophobicContact CB-CD2 4.37Å; H17-L20 PolarHBondContact O-N 3.28Å; H17-L20 VanDerWaalsContact O-N 3.12Å
18P78.8Confident82.4Confident55 Ų5570.3 Ų70.336%0.35736%0.357SS..THydrogen-bonded Turntrans-54.4-33.5-176.9-26.133.9000113.5K14K14-P18 VanDerWaalsContact O-CA 3.27Å; K14-P18 WeakPolarHBondContact O-CA 3.31Å; K14-P18 WeakPolarHBondContact O-CG 3.39Å
19M76.2Confident81.3Confident62 Ų6269 Ų6931%0.30535%0.345SS..THydrogen-bonded Turntrans-81.1-23.4-174-49.1-57.4-77.400113.1H17 P21 Y66 Q69 P72H17-M19 PolarHBondContact O-N 3.3Å; M19-P21 VanDerWaalsContact O-CD 3.24Å; M19-P21 WeakPolarHBondContact O-CD 3.38Å; M19-Y66 HydrophobicContact CB-CD2 4.31Å; M19-Y66 HydrophobicContact CB-CE2 3.79Å; M19-Y66 WeakPolarHBondContact O-CD2 3.38Å; M19-Q69 WeakPolarHBondContact CE-O 3.36Å; M19-P72 HydrophobicContact SD-CB 4.1Å
20L86.4Confident80.5Confident75 Ų7568.1 Ų68.139%0.39334%0.341SS..SBendtrans-65.4116.7-174.4-17965.8000109.6I13 K14 H17 V22I13-L20 HydrophobicContact CG2-CD2 3.8Å; K14-L20 VanDerWaalsContact CE-O 3.22Å; K14-L20 WeakPolarHBondContact CE-O 3.37Å; K14-L20 PolarHBondContact NZ-O 3.47Å; H17-L20 HydrophobicContact CB-CB 3.79Å; H17-L20 HydrophobicContact CB-CD2 4.37Å; H17-L20 PolarHBondContact O-N 3.28Å; H17-L20 VanDerWaalsContact O-N 3.12Å; L20-V22 PolarHBondContact O-N 2.94Å
21P84.3Confident79.7Confident30 Ų3068.1 Ų68.120%0.19534%0.341CS..  trans-65134.9173.727.8-36.4000109.7M19 F43 A62M19-P21 VanDerWaalsContact O-CD 3.24Å; M19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-F43 HydrophobicContact CB-CB 3.86Å; P21-F43 HydrophobicContact CB-CD2 4.15Å; P21-F43 HydrophobicContact CB-CG 3.99Å; P21-A62 HydrophobicContact CB-CB 3.96Å; P21-A62 HydrophobicContact CG-CB 4.16Å
22V88.8Confident79.1Confident24 Ų2464.2 Ų64.215%0.14533%0.325CS..  trans-126.4119.6178.8-179.60000108L10 I13 L20 A42 F43L10-V22 HydrophobicContact CD1-CB 3.7Å; L10-V22 HydrophobicContact CD1-CG1 3.73Å; L10-V22 HydrophobicContact CD1-CG2 3.99Å; I13-V22 HydrophobicContact CG2-CG2 3.72Å; L20-V22 PolarHBondContact O-N 2.94Å; V22-A42 CarbonylContact O-C 3.57Å; V22-A42 WeakPolarHBondContact O-CA 3.41Å; V22-F43 PolarHBondContact O-N 3.37Å
23I87.1Confident78.4Confident46 Ų4661.2 Ų61.224%0.23632%0.315CS..EExtended strand (participates in β ladder)trans-97.1123.7173.5-63.2158.4000107.6F43 D44 L46 L58 V59 A62I23-F43 HydrophobicContact CG1-CD1 4.12Å; I23-D44 WeakPolarHBondContact CA-O 3.2Å; I23-L46 HydrophobicContact CG2-CB 4.09Å; I23-L58 HydrophobicContact CD1-CD2 4Å; I23-L58 HydrophobicContact CD1-CG 3.73Å; I23-L58 HydrophobicContact CG1-CD2 4.18Å; I23-L58 HydrophobicContact CG1-CG 4.23Å; I23-L58 HydrophobicContact CG2-CD2 3.65Å; I23-V59 HydrophobicContact CD1-CG2 4.06Å; I23-A62 HydrophobicContact CD1-CB 4.16Å
24I85.4Confident77.5Confident30 Ų3059.2 Ų59.215%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-88.9124.6176.4-72.5178.4000109.1L7 L10 A37 A42 D44 Y45 L46L7-I24 HydrophobicContact CD2-CD1 4.15Å; L10-I24 HydrophobicContact CB-CD1 4.44Å; L10-I24 HydrophobicContact CD2-CD1 3.55Å; I24-A37 HydrophobicContact CB-CB 4.47Å; I24-A37 HydrophobicContact CD1-CB 3.45Å; I24-A37 VanDerWaalsContact CD1-CB 3.45Å; I24-A37 HydrophobicContact CG1-CB 4.4Å; I24-A42 HydrophobicContact CD1-CB 4.16Å; I24-A42 HydrophobicContact CG1-CB 4.36Å; I24-D44 PolarHBondContact N-O 3.4Å; I24-Y45 HydrophobicContact CG2-CD2 4.45Å; I24-Y45 CarbonylContact O-C 3.56Å; I24-Y45 WeakPolarHBondContact O-CA 3.14Å; I24-L46 PolarHBondContact O-N 3.43Å
25M85.4Confident77.1Confident108 Ų10857.5 Ų57.553%0.53230%0.298SS..EExtended strand (participates in β ladder)trans-95.9135.4166.3-60.6178.9-80.500109.8L46 F50M25-L46 VanDerWaalsContact CA-O 3.3Å; M25-L46 WeakPolarHBondContact CA-O 3.34Å; M25-L46 HydrophobicContact CG-CB 4.29Å; M25-L46 HydrophobicContact CG-CD2 4.28Å; M25-F50 HydrophobicContact CG-CE1 4.43Å; M25-F50 HydrophobicContact SD-CE1 3.97Å; M25-F50 HydrophobicContact SD-CZ 4.09Å
26T73Confident76.7Confident25 Ų2552.6 Ų52.615%0.15328%0.277CS..EExtended strand (participates in β ladder)trans-140.8153176.4-176.30000112.3H28 Y45 L46 K48T26-H28 WeakPolarHBondContact CG2-O 3.37Å; T26-H28 PolarHBondContact OG1-N 2.7Å; T26-H28 PolarHBondContact OG1-O 3.42Å; T26-Y45 HydrophobicContact CG2-CD2 4Å; T26-Y45 HydrophobicContact CG2-CE1 4.05Å; T26-Y45 HydrophobicContact CG2-CE2 3Å; T26-Y45 WeakPolarHBondContact CG2-OH 3.46Å; T26-L46 PolarHBondContact N-O 2.87Å; T26-K48 WeakPolarHBondContact O-CB 3.3Å; T26-K48 PolarHBondContact O-N 3.35Å
27A67.6Low76.2Confident76 Ų7643.5 Ų43.563%0.62824%0.243SC*.SBendtrans-92.5-11.4167.700000112.1
28H57.9Low75.7Confident126 Ų12638.9 Ų38.958%0.58322%0.221SC*.  trans-100.5112.3178.4-70.561.9000109.1T26 D30 Y45T26-H28 WeakPolarHBondContact CG2-O 3.37Å; T26-H28 PolarHBondContact OG1-N 2.7Å; T26-H28 PolarHBondContact OG1-O 3.42Å; H28-D30 PolarHBondContact O-N 3.46Å; H28-Y45 PolarHBondContact O-OH 3.19Å
29S61.6Low75.5Confident16 Ų1637.6 Ų37.611%0.11221%0.21CC..  trans-83.428.7-179.237.30000112.6E87 Q92 F95S29-E87 WeakPolarHBondContact OG-CB 3.36Å; S29-E87 WeakPolarHBondContact OG-CG 3.41Å; S29-Q92 PolarHBondContact O-NE2 3.48Å; S29-F95 VanDerWaalsContact O-CE2 3.31Å; S29-F95 WeakPolarHBondContact O-CE2 3.27Å
30D69.6Low75.4Confident49 Ų4936.4 Ų36.426%0.26220%0.204SC..  trans-8514818066.152.7000112.7H28 D32 A33 A34H28-D30 PolarHBondContact O-N 3.46Å; D30-D32 VanDerWaalsContact C-N 3.3Å; D30-D32 PolarHBondContact O-N 2.97Å; D30-A33 WeakPolarHBondContact OD1-CA 3.25Å; D30-A33 WeakPolarHBondContact OD1-CB 3.43Å; D30-A33 PolarHBondContact OD1-N 3.24Å; D30-A34 PolarHBondContact O-N 3.08Å
31L70.5Confident74.8Confident1 Ų133.6 Ų33.61%0.00519%0.193CC..Hα-helixtrans-61.4-38.3-178.5172.464.8000112.1A34 V35 I84 F95 I98 A124L31-A34 WeakPolarHBondContact O-CB 3.45Å; L31-A34 PolarHBondContact O-N 3.39Å; L31-V35 HydrophobicContact CD1-CG2 3.84Å; L31-V35 HydrophobicContact CG-CG2 4.17Å; L31-V35 WeakPolarHBondContact O-CG2 3.39Å; L31-V35 PolarHBondContact O-N 3.35Å; L31-I84 HydrophobicContact CD2-CB 4.21Å; L31-I84 HydrophobicContact CD2-CD1 3.9Å; L31-I84 HydrophobicContact CD2-CG1 3.9Å; L31-F95 HydrophobicContact CB-CD1 4.12Å; L31-F95 HydrophobicContact CB-CD2 4.39Å; L31-F95 HydrophobicContact CB-CE1 4.12Å; L31-F95 HydrophobicContact CB-CE2 4.39Å; L31-F95 HydrophobicContact CB-CG 4.26Å; L31-F95 HydrophobicContact CB-CZ 4.26Å; L31-F95 HydrophobicContact CD1-CB 4.02Å; L31-F95 HydrophobicContact CD1-CD1 3.62Å; L31-F95 HydrophobicContact CD1-CE1 4.28Å; L31-F95 HydrophobicContact CD1-CG 3.92Å; L31-F95 HydrophobicContact CG-CD1 4.37Å; L31-I98 HydrophobicContact CD1-CB 4.09Å; L31-I98 HydrophobicContact CD1-CD1 3.94Å; L31-I98 HydrophobicContact CD1-CG2 3.96Å; L31-A124 HydrophobicContact CD2-CB 3.84Å
32D73.6Confident74.7Confident28 Ų2832.6 Ų32.615%0.1519%0.188CC..Hα-helixtrans-73.2-33.8-172.5-59.1-64.1000112.1D30 S36 T81 R127 H128D30-D32 VanDerWaalsContact C-N 3.3Å; D30-D32 PolarHBondContact O-N 2.97Å; D32-S36 WeakPolarHBondContact O-CA 3.47Å; D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 2.83Å; D32-T81 HydrophobicContact CB-CG2 3.9Å; D32-T81 WeakPolarHBondContact OD1-CG2 3.46Å; D32-T81 VanDerWaalsContact OD2-CB 3.24Å; D32-T81 WeakPolarHBondContact OD2-CB 3.35Å; D32-T81 WeakPolarHBondContact OD2-CG2 3.31Å; D32-R127 IonicContact OD1-NH2 3.51Å; D32-R127 PolarHBondContact OD1-NH2 2.7Å; D32-H128 IonicContact OD1-NE2 2.72Å
33A72.2Confident74.5Confident23 Ų2333.4 Ų33.419%0.1919%0.189CC..Hα-helixtrans-62.5-43.9169.400000111D30 A37D30-A33 WeakPolarHBondContact OD1-CA 3.25Å; D30-A33 WeakPolarHBondContact OD1-CB 3.43Å; D30-A33 PolarHBondContact OD1-N 3.24Å; A33-A37 WeakPolarHBondContact O-CB 3.26Å; A33-A37 PolarHBondContact O-N 3.48Å
34A70.3Confident74.2Confident1 Ų131.3 Ų31.31%0.00818%0.178CC..Hα-helixtrans-61.8-50.3176.700000111.1D30 L31 A37 Y38 Y45 F95D30-A34 PolarHBondContact O-N 3.08Å; L31-A34 WeakPolarHBondContact O-CB 3.45Å; L31-A34 PolarHBondContact O-N 3.39Å; A34-A37 WeakPolarHBondContact O-CB 3.5Å; A34-A37 PolarHBondContact O-N 3.39Å; A34-Y38 WeakPolarHBondContact O-CD2 3.37Å; A34-Y38 PolarHBondContact O-N 3.04Å; A34-Y45 HydrophobicContact CB-CD2 4.4Å; A34-Y45 HydrophobicContact CB-CE2 4.34Å; A34-F95 HydrophobicContact CB-CB 4.24Å
35V72.8Confident73.9Confident2 Ų230 Ų301%0.01217%0.172CC..Hα-helixtrans-62.7-47.3178.71730000111.4L31 A37 Y38 Q39 I98 H128L31-V35 HydrophobicContact CD1-CG2 3.84Å; L31-V35 HydrophobicContact CG-CG2 4.17Å; L31-V35 WeakPolarHBondContact O-CG2 3.39Å; L31-V35 PolarHBondContact O-N 3.35Å; V35-A37 VanDerWaalsContact C-N 3.31Å; V35-A37 PolarHBondContact O-N 2.93Å; V35-Y38 PolarHBondContact O-N 3.44Å; V35-Q39 HydrophobicContact CG1-CG 3.93Å; V35-Q39 WeakPolarHBondContact O-CB 3.4Å; V35-Q39 WeakPolarHBondContact O-CG 3.49Å; V35-Q39 PolarHBondContact O-N 3.47Å; V35-I98 HydrophobicContact CG2-CG2 4.15Å; V35-H128 HydrophobicContact CG1-CB 3.84Å; V35-H128 HydrophobicContact CG2-CB 4.39Å
36S76.2Confident73.7Confident21 Ų2125.5 Ų25.515%0.14715%0.149CC..Hα-helixtrans-61-40.1-179.5-173.90000111.5L7 D32 Q39 Q40L7-S36 WeakPolarHBondContact CD1-OG 3.3Å; D32-S36 WeakPolarHBondContact O-CA 3.47Å; D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 2.83Å; S36-Q39 PolarHBondContact O-N 2.81Å; S36-Q40 VanDerWaalsContact O-CB 3.3Å; S36-Q40 WeakPolarHBondContact O-CB 3.3Å; S36-Q40 WeakPolarHBondContact O-CG 3.29Å; S36-Q40 PolarHBondContact O-N 3.17Å; S36-Q40 PolarHBondContact OG-NE2 3.13Å
37A75.9Confident73.8Confident0 Ų025.6 Ų25.60%015%0.151CC..Hα-helixtrans-55.2-54.617300000111.5L10 I24 A33 A34 V35 Q40 G41 A42L10-A37 WeakPolarHBondContact CD2-O 3.33Å; I24-A37 HydrophobicContact CB-CB 4.47Å; I24-A37 HydrophobicContact CD1-CB 3.45Å; I24-A37 VanDerWaalsContact CD1-CB 3.45Å; I24-A37 HydrophobicContact CG1-CB 4.4Å; A33-A37 WeakPolarHBondContact O-CB 3.26Å; A33-A37 PolarHBondContact O-N 3.48Å; A34-A37 WeakPolarHBondContact O-CB 3.5Å; A34-A37 PolarHBondContact O-N 3.39Å; V35-A37 VanDerWaalsContact C-N 3.31Å; V35-A37 PolarHBondContact O-N 2.93Å; A37-Q40 PolarHBondContact O-N 3.26Å; A37-G41 PolarHBondContact O-N 3.25Å; A37-A42 VanDerWaalsContact C-CB 3.49Å; A37-A42 HydrophobicContact CB-CB 3.93Å; A37-A42 WeakPolarHBondContact O-CB 3.35Å; A37-A42 PolarHBondContact O-N 3.42Å
38Y77.1Confident74.2Confident19 Ų1927.4 Ų27.48%0.07514%0.144CC..Hα-helixtrans-64.4-41.6179.1-79.9-71.2000112.6A34 V35 Q40 G41 F43 D44 R96 G99 R100A34-Y38 WeakPolarHBondContact O-CD2 3.37Å; A34-Y38 PolarHBondContact O-N 3.04Å; V35-Y38 PolarHBondContact O-N 3.44Å; Y38-Q40 PolarHBondContact O-N 3.35Å; Y38-G41 PolarHBondContact O-N 2.93Å; Y38-F43 WeakPolarHBondContact CE1-O 3.38Å; Y38-D44 VanDerWaalsContact OH-CG 3.23Å; Y38-D44 PolarHBondContact OH-OD1 3.29Å; Y38-R96 HydrophobicContact CE2-CG 4.22Å; Y38-R96 WeakPolarHBondContact OH-CG 3.17Å; Y38-G99 WeakPolarHBondContact CB-O 3.47Å; Y38-R100 HydrophobicContact CD1-CG 4.08Å; Y38-R100 HydrophobicContact CE1-CG 3.48Å; Y38-R100 VanDerWaalsContact CE1-CG 3.48Å; Y38-R100 HydrophobicContact CE2-CG 4.28Å; Y38-R100 PolarHBondContact OH-NE 3.34Å; Y38-R100 VanDerWaalsContact OH-NE 3.1Å
39Q72.5Confident75.3Confident28 Ų2827.7 Ų27.713%0.13116%0.157CC..Hα-helixtrans-64.1-26175.8-76.1-177.9-13.900113V35 S36 G41 L77 R103 H128V35-Q39 HydrophobicContact CG1-CG 3.93Å; V35-Q39 WeakPolarHBondContact O-CB 3.4Å; V35-Q39 WeakPolarHBondContact O-CG 3.49Å; V35-Q39 PolarHBondContact O-N 3.47Å; S36-Q39 PolarHBondContact O-N 2.81Å; Q39-G41 VanDerWaalsContact C-N 3.34Å; Q39-L77 PolarHBondContact OE1-O 2.92Å; Q39-R103 PolarHBondContact O-NH2 3.32Å; Q39-H128 PolarHBondContact NE2-O 3.24Å
40Q74.2Confident76.2Confident36 Ų3630.5 Ų30.517%0.16817%0.168CC..THydrogen-bonded Turntrans-90.41.3174-68.6179.234.300113.3L7 L10 S36 A37 Y38L7-Q40 PolarHBondContact O-OE1 2.93Å; L10-Q40 HydrophobicContact CD2-CB 3.44Å; L10-Q40 VanDerWaalsContact CD2-CB 3.44Å; L10-Q40 HydrophobicContact CG-CB 4.02Å; S36-Q40 VanDerWaalsContact O-CB 3.3Å; S36-Q40 WeakPolarHBondContact O-CB 3.3Å; S36-Q40 WeakPolarHBondContact O-CG 3.29Å; S36-Q40 PolarHBondContact O-N 3.17Å; S36-Q40 PolarHBondContact OG-NE2 3.13Å; A37-Q40 PolarHBondContact O-N 3.26Å; Y38-Q40 PolarHBondContact O-N 3.35Å
41G75.5Confident76.8Confident17 Ų1732 Ų3218%0.17518%0.176CC..THydrogen-bonded Turntrans95.416.4172.900000114.8K14 A37 Y38 Q39K14-G41 WeakPolarHBondContact CE-O 3.38Å; K14-G41 PolarHBondContact NZ-O 3Å; A37-G41 PolarHBondContact O-N 3.25Å; Y38-G41 PolarHBondContact O-N 2.93Å; Q39-G41 VanDerWaalsContact C-N 3.34Å
42A82.5Confident77.7Confident9 Ų938 Ų387%0.07421%0.206CC..  trans-53.7143.1168.100000110.4L10 V22 I24 A37L10-A42 HydrophobicContact CD2-CB 3.97Å; V22-A42 CarbonylContact O-C 3.57Å; V22-A42 WeakPolarHBondContact O-CA 3.41Å; I24-A42 HydrophobicContact CD1-CB 4.16Å; I24-A42 HydrophobicContact CG1-CB 4.36Å; A37-A42 VanDerWaalsContact C-CB 3.49Å; A37-A42 HydrophobicContact CB-CB 3.93Å; A37-A42 WeakPolarHBondContact O-CB 3.35Å; A37-A42 PolarHBondContact O-N 3.42Å
43F82.8Confident78.2Confident41 Ų4142.5 Ų42.518%0.1823%0.231CC..SBendtrans-71.6-47173.3177.4-99.6000110.3P21 V22 I23 Y38 L58 R61 A62 H65P21-F43 HydrophobicContact CB-CB 3.86Å; P21-F43 HydrophobicContact CB-CD2 4.15Å; P21-F43 HydrophobicContact CB-CG 3.99Å; V22-F43 PolarHBondContact O-N 3.37Å; I23-F43 HydrophobicContact CG1-CD1 4.12Å; Y38-F43 WeakPolarHBondContact CE1-O 3.38Å; F43-L58 HydrophobicContact CD1-CD1 4.41Å; F43-L58 HydrophobicContact CE1-CD1 4.05Å; F43-R61 HydrophobicContact CE1-CB 4.48Å; F43-R61 HydrophobicContact CZ-CB 4.32Å; F43-A62 HydrophobicContact CD1-CB 3.66Å; F43-A62 HydrophobicContact CE1-CB 3.58Å; F43-A62 HydrophobicContact CG-CB 4.21Å; F43-A62 HydrophobicContact CZ-CB 4.08Å; F43-H65 AromaticContact CD2-ND1 3.96Å; F43-H65 HydrophobicContact CE2-CB 3.65Å; F43-H65 AromaticContact CE2-CD2 3.73Å; F43-H65 AromaticContact CE2-CE1 3.96Å; F43-H65 AromaticContact CE2-CG 3.52Å; F43-H65 AromaticContact CE2-ND1 3.72Å; F43-H65 AromaticContact CE2-NE2 3.98Å; F43-H65 HydrophobicContact CZ-CB 4.19Å
44D80.8Confident78.4Confident1 Ų147.2 Ų47.21%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-159.8-177.8175.7-145.9-32.9000110.8I23 I24 Y38 L58 R96 R100I23-D44 WeakPolarHBondContact CA-O 3.2Å; I24-D44 PolarHBondContact N-O 3.4Å; Y38-D44 VanDerWaalsContact OH-CG 3.23Å; Y38-D44 PolarHBondContact OH-OD1 3.29Å; D44-L58 HydrophobicContact CB-CD1 3.59Å; D44-L58 HydrophobicContact CB-CD2 4.12Å; D44-L58 HydrophobicContact CB-CG 4.36Å; D44-L58 VanDerWaalsContact OD2-CD1 3.32Å; D44-L58 WeakPolarHBondContact OD2-CD1 3.22Å; D44-R96 WeakPolarHBondContact OD1-CD 3.49Å; D44-R96 IonicContact OD1-NE 3.44Å; D44-R100 IonicContact OD2-CZ 2.78Å; D44-R100 IonicContact OD2-NH2 3.53Å; D44-R100 PolarHBondContact OD2-NH2 2.91Å
45Y78.9Confident79.2Confident3 Ų347.9 Ų47.91%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-132.6136.1-175.6169.1-80.1000109.8I24 T26 H28 A34 P47 Q92I24-Y45 HydrophobicContact CG2-CD2 4.45Å; I24-Y45 CarbonylContact O-C 3.56Å; I24-Y45 WeakPolarHBondContact O-CA 3.14Å; T26-Y45 HydrophobicContact CG2-CD2 4Å; T26-Y45 HydrophobicContact CG2-CE1 4.05Å; T26-Y45 HydrophobicContact CG2-CE2 3Å; T26-Y45 WeakPolarHBondContact CG2-OH 3.46Å; H28-Y45 PolarHBondContact O-OH 3.19Å; A34-Y45 HydrophobicContact CB-CD2 4.4Å; A34-Y45 HydrophobicContact CB-CE2 4.34Å; Y45-P47 HydrophobicContact CE1-CB 3.87Å; Y45-P47 HydrophobicContact CE1-CG 4.19Å; Y45-Q92 PolarHBondContact OH-OE1 3.46Å
46L81.5Confident79.9Confident13 Ų1351.1 Ų51.17%0.06827%0.274CS..EExtended strand (participates in β ladder)trans-125.8103.8-177.9-170.465.9000110.2I23 I24 M25 T26 F50 A55 L58I23-L46 HydrophobicContact CG2-CB 4.09Å; I24-L46 PolarHBondContact O-N 3.43Å; M25-L46 VanDerWaalsContact CA-O 3.3Å; M25-L46 WeakPolarHBondContact CA-O 3.34Å; M25-L46 HydrophobicContact CG-CB 4.29Å; M25-L46 HydrophobicContact CG-CD2 4.28Å; T26-L46 PolarHBondContact N-O 2.87Å; L46-F50 HydrophobicContact CD1-CB 3.78Å; L46-F50 HydrophobicContact CD1-CD1 4.36Å; L46-F50 HydrophobicContact CD1-CG 4.02Å; L46-F50 HydrophobicContact CD2-CB 4.34Å; L46-F50 HydrophobicContact CD2-CD1 3.56Å; L46-F50 HydrophobicContact CD2-CD2 3.81Å; L46-F50 HydrophobicContact CD2-CE1 3.64Å; L46-F50 HydrophobicContact CD2-CE2 3.9Å; L46-F50 HydrophobicContact CD2-CG 3.65Å; L46-F50 HydrophobicContact CD2-CZ 3.81Å; L46-F50 HydrophobicContact CG-CB 3.93Å; L46-F50 HydrophobicContact CG-CD1 3.56Å; L46-F50 HydrophobicContact CG-CD2 4.34Å; L46-F50 HydrophobicContact CG-CE1 4.08Å; L46-F50 HydrophobicContact CG-CG 3.7Å; L46-A55 HydrophobicContact CD2-CB 3.87Å; L46-L58 HydrophobicContact CB-CD2 4.44Å; L46-L58 HydrophobicContact CD1-CD2 4.4Å
47P75.2Confident80.1Confident28 Ų2852.1 Ų52.118%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-69.7147.5178.328.8-32.5000110.7Y45 P49 F50 Q92Y45-P47 HydrophobicContact CE1-CB 3.87Å; Y45-P47 HydrophobicContact CE1-CG 4.19Å; P47-P49 CarbonylContact O-C 3.54Å; P47-F50 WeakPolarHBondContact O-CB 3.41Å; P47-F50 WeakPolarHBondContact O-CD1 3.42Å; P47-Q92 HydrophobicContact CB-CG 4.21Å; P47-Q92 HydrophobicContact CG-CB 4.29Å; P47-Q92 HydrophobicContact CG-CG 4.09Å
48K75.9Confident80.5Confident113 Ų11352.4 Ų52.449%0.49129%0.285SS..SBendtrans-103137.8174.6-67.7-176.1-178.7-173.10110.9T26 F50T26-K48 WeakPolarHBondContact O-CB 3.3Å; T26-K48 PolarHBondContact O-N 3.35Å; K48-F50 HydrophobicContact CG-CD1 3.93Å; K48-F50 HydrophobicContact CG-CE1 3.86Å
49P81.1Confident81Confident132 Ų13255 Ų5586%0.85730%0.302SS*.SBendcis-73156-4.432-35000112.3P47P47-P49 CarbonylContact O-C 3.54Å
50F81Confident81.6Confident75 Ų7559.3 Ų59.333%0.32932%0.323SS..  trans-131.9157.2177.851.1-100.5000110.9M25 L46 P47 K48 A55M25-F50 HydrophobicContact CG-CE1 4.43Å; M25-F50 HydrophobicContact SD-CE1 3.97Å; M25-F50 HydrophobicContact SD-CZ 4.09Å; L46-F50 HydrophobicContact CD1-CB 3.78Å; L46-F50 HydrophobicContact CD1-CD1 4.36Å; L46-F50 HydrophobicContact CD1-CG 4.02Å; L46-F50 HydrophobicContact CD2-CB 4.34Å; L46-F50 HydrophobicContact CD2-CD1 3.56Å; L46-F50 HydrophobicContact CD2-CD2 3.81Å; L46-F50 HydrophobicContact CD2-CE1 3.64Å; L46-F50 HydrophobicContact CD2-CE2 3.9Å; L46-F50 HydrophobicContact CD2-CG 3.65Å; L46-F50 HydrophobicContact CD2-CZ 3.81Å; L46-F50 HydrophobicContact CG-CB 3.93Å; L46-F50 HydrophobicContact CG-CD1 3.56Å; L46-F50 HydrophobicContact CG-CD2 4.34Å; L46-F50 HydrophobicContact CG-CE1 4.08Å; L46-F50 HydrophobicContact CG-CG 3.7Å; P47-F50 WeakPolarHBondContact O-CB 3.41Å; P47-F50 WeakPolarHBondContact O-CD1 3.42Å; K48-F50 HydrophobicContact CG-CD1 3.93Å; K48-F50 HydrophobicContact CG-CE1 3.86Å; F50-A55 HydrophobicContact CD2-CB 3.86Å; F50-A55 HydrophobicContact CE2-CB 3.9Å
51D82.8Confident81.9Confident82 Ų8263.8 Ų63.844%0.43934%0.338SS..  trans-75.4140.1170.4-174.8-84.5000111.1D53 E54 A55D51-D53 WeakPolarHBondContact OD1-CA 3.49Å; D51-D53 VanDerWaalsContact OD1-CB 3.28Å; D51-D53 WeakPolarHBondContact OD1-CB 3.32Å; D51-D53 PolarHBondContact OD1-N 3.41Å; D51-E54 HydrophobicContact CB-CB 4.21Å; D51-E54 HydrophobicContact CB-CG 4Å; D51-E54 PolarHBondContact OD1-N 3.49Å; D51-A55 PolarHBondContact O-N 2.88Å; D51-A55 VanDerWaalsContact O-N 3.14Å
52I88.1Confident82.2Confident125 Ų12563.2 Ų63.264%0.64133%0.332SS*.Hα-helixtrans-69.2-38-176.1-64.8176.5000110.8A55 V56I52-A55 WeakPolarHBondContact O-CB 3.28Å; I52-A55 PolarHBondContact O-N 2.9Å; I52-V56 HydrophobicContact CG2-CG2 4.38Å; I52-V56 WeakPolarHBondContact O-CG2 3.33Å; I52-V56 PolarHBondContact O-N 2.71Å
53D84Confident82.3Confident124 Ų12467.1 Ų67.166%0.66335%0.351SS*.Hα-helixtrans-68.3-39.3-179.2-63-32.3000110.3D51 A55 V56 A57D51-D53 WeakPolarHBondContact OD1-CA 3.49Å; D51-D53 VanDerWaalsContact OD1-CB 3.28Å; D51-D53 WeakPolarHBondContact OD1-CB 3.32Å; D51-D53 PolarHBondContact OD1-N 3.41Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 2.99Å; D53-V56 PolarHBondContact O-N 2.75Å; D53-A57 WeakPolarHBondContact O-CB 3.33Å; D53-A57 PolarHBondContact O-N 3.46Å
54E77.2Confident82.1Confident121 Ų12168 Ų6857%0.56536%0.362SS*.Hα-helixtrans-60.6-41.4171.9-71-171.8173.700112.4D51 L58D51-E54 HydrophobicContact CB-CB 4.21Å; D51-E54 HydrophobicContact CB-CG 4Å; D51-E54 PolarHBondContact OD1-N 3.49Å; E54-L58 WeakPolarHBondContact O-CB 3.31Å; E54-L58 PolarHBondContact O-N 2.95Å
55A86.6Confident81.7Confident16 Ų1670.8 Ų70.813%0.13238%0.375CS..Hα-helixtrans-65.7-42.7177.700000111.7L46 F50 D51 I52 D53 L58 V59L46-A55 HydrophobicContact CD2-CB 3.87Å; F50-A55 HydrophobicContact CD2-CB 3.86Å; F50-A55 HydrophobicContact CE2-CB 3.9Å; D51-A55 PolarHBondContact O-N 2.88Å; D51-A55 VanDerWaalsContact O-N 3.14Å; I52-A55 WeakPolarHBondContact O-CB 3.28Å; I52-A55 PolarHBondContact O-N 2.9Å; D53-A55 VanDerWaalsContact C-N 3.33Å; D53-A55 PolarHBondContact O-N 2.99Å; A55-L58 PolarHBondContact O-N 2.89Å; A55-V59 WeakPolarHBondContact O-CG2 3.41Å; A55-V59 PolarHBondContact O-N 2.74Å
56V89.1Confident81.5Confident70 Ų7076.6 Ų76.642%0.42440%0.397SS..Hα-helixtrans-61.4-49.3175.9171.30000110.5I52 D53 L58 V59 E60I52-V56 HydrophobicContact CG2-CG2 4.38Å; I52-V56 WeakPolarHBondContact O-CG2 3.33Å; I52-V56 PolarHBondContact O-N 2.71Å; D53-V56 PolarHBondContact O-N 2.75Å; V56-L58 PolarHBondContact O-N 3.4Å; V56-V59 PolarHBondContact O-N 3.43Å; V56-E60 HydrophobicContact CG1-CG 4.45Å; V56-E60 WeakPolarHBondContact O-CG 3.39Å; V56-E60 PolarHBondContact O-N 3.49Å
57A80.2Confident81.1Confident42 Ų4282.9 Ų82.935%0.34743%0.426SS..Hα-helixtrans-60.7-33.1177.900000112.6D53 R61D53-A57 WeakPolarHBondContact O-CB 3.33Å; D53-A57 PolarHBondContact O-N 3.46Å; A57-R61 VanDerWaalsContact O-CG 3.31Å; A57-R61 WeakPolarHBondContact O-CG 3.27Å; A57-R61 PolarHBondContact O-N 3.47Å; A57-R61 PolarHBondContact O-NE 3.19Å
58L82.9Confident80.5Confident6 Ų689 Ų893%0.03145%0.453CS..Hα-helixtrans-68.8-40.8173.7-178.962000112.4I23 F43 D44 L46 E54 A55 V56 R61 A62I23-L58 HydrophobicContact CD1-CD2 4Å; I23-L58 HydrophobicContact CD1-CG 3.73Å; I23-L58 HydrophobicContact CG1-CD2 4.18Å; I23-L58 HydrophobicContact CG1-CG 4.23Å; I23-L58 HydrophobicContact CG2-CD2 3.65Å; F43-L58 HydrophobicContact CD1-CD1 4.41Å; F43-L58 HydrophobicContact CE1-CD1 4.05Å; D44-L58 HydrophobicContact CB-CD1 3.59Å; D44-L58 HydrophobicContact CB-CD2 4.12Å; D44-L58 HydrophobicContact CB-CG 4.36Å; D44-L58 VanDerWaalsContact OD2-CD1 3.32Å; D44-L58 WeakPolarHBondContact OD2-CD1 3.22Å; L46-L58 HydrophobicContact CB-CD2 4.44Å; L46-L58 HydrophobicContact CD1-CD2 4.4Å; E54-L58 WeakPolarHBondContact O-CB 3.31Å; E54-L58 PolarHBondContact O-N 2.95Å; A55-L58 PolarHBondContact O-N 2.89Å; V56-L58 PolarHBondContact O-N 3.4Å; L58-R61 PolarHBondContact O-N 2.74Å; L58-A62 PolarHBondContact O-N 2.88Å
59V88.3Confident79.6Confident72 Ų7288.3 Ų88.344%0.43645%0.451SS..Hα-helixtrans-66.4-43177.4171.50000111.4I23 A55 V56 R61 A62 I63I23-V59 HydrophobicContact CD1-CG2 4.06Å; A55-V59 WeakPolarHBondContact O-CG2 3.41Å; A55-V59 PolarHBondContact O-N 2.74Å; V56-V59 PolarHBondContact O-N 3.43Å; V59-R61 VanDerWaalsContact C-N 3.32Å; V59-R61 PolarHBondContact O-N 2.92Å; V59-A62 WeakPolarHBondContact O-CB 3.44Å; V59-A62 PolarHBondContact O-N 2.79Å; V59-A62 VanDerWaalsContact O-N 3.14Å; V59-I63 HydrophobicContact CG1-CD1 3.92Å; V59-I63 HydrophobicContact CG1-CG1 4.49Å; V59-I63 WeakPolarHBondContact O-CG1 3.34Å; V59-I63 PolarHBondContact O-N 3.02Å
60E85.7Confident78.3Confident119 Ų11990.2 Ų90.256%0.55645%0.449SS*.Hα-helixtrans-60.3-41.6176.5-71.4-179.3164.400112.2V56 I63 S64V56-E60 HydrophobicContact CG1-CG 4.45Å; V56-E60 WeakPolarHBondContact O-CG 3.39Å; V56-E60 PolarHBondContact O-N 3.49Å; E60-I63 PolarHBondContact O-N 2.86Å; E60-S64 PolarHBondContact O-N 3.38Å; E60-S64 PolarHBondContact O-OG 3.4Å
61R79.7Confident76.3Confident130 Ų13094.9 Ų94.949%0.49147%0.471SS..Hα-helixtrans-63.1-41.7173.6-74.1-176.6-64.9163.5-0.3112.2F43 A57 L58 V59 S64 H65F43-R61 HydrophobicContact CE1-CB 4.48Å; F43-R61 HydrophobicContact CZ-CB 4.32Å; A57-R61 VanDerWaalsContact O-CG 3.31Å; A57-R61 WeakPolarHBondContact O-CG 3.27Å; A57-R61 PolarHBondContact O-N 3.47Å; A57-R61 PolarHBondContact O-NE 3.19Å; L58-R61 PolarHBondContact O-N 2.74Å; V59-R61 VanDerWaalsContact C-N 3.32Å; V59-R61 PolarHBondContact O-N 2.92Å; R61-S64 PolarHBondContact O-N 3.46Å; R61-H65 VanDerWaalsContact O-CB 3.3Å; R61-H65 WeakPolarHBondContact O-CB 3.04Å; R61-H65 PolarHBondContact O-N 2.79Å
62A82.5Confident74.2Confident5 Ų595.3 Ų95.34%0.04148%0.479CS..Hα-helixtrans-61.9-42.3177.100000112.1P21 I23 F43 L58 V59 Y66P21-A62 HydrophobicContact CB-CB 3.96Å; P21-A62 HydrophobicContact CG-CB 4.16Å; I23-A62 HydrophobicContact CD1-CB 4.16Å; F43-A62 HydrophobicContact CD1-CB 3.66Å; F43-A62 HydrophobicContact CE1-CB 3.58Å; F43-A62 HydrophobicContact CG-CB 4.21Å; F43-A62 HydrophobicContact CZ-CB 4.08Å; L58-A62 PolarHBondContact O-N 2.88Å; V59-A62 WeakPolarHBondContact O-CB 3.44Å; V59-A62 PolarHBondContact O-N 2.79Å; V59-A62 VanDerWaalsContact O-N 3.14Å; A62-Y66 PolarHBondContact O-N 3.09Å
63I84.4Confident71.7Confident92 Ų92100.3 Ų100.347%0.47249%0.489SS..Hα-helixtrans-64.6-46.5176.9-66.9166.4000110.7V59 E60 H65 Y66 Q67V59-I63 HydrophobicContact CG1-CD1 3.92Å; V59-I63 HydrophobicContact CG1-CG1 4.49Å; V59-I63 WeakPolarHBondContact O-CG1 3.34Å; V59-I63 PolarHBondContact O-N 3.02Å; E60-I63 PolarHBondContact O-N 2.86Å; I63-H65 PolarHBondContact O-N 2.98Å; I63-Y66 WeakPolarHBondContact O-CB 3.36Å; I63-Y66 PolarHBondContact O-N 3.41Å; I63-Q67 WeakPolarHBondContact O-CG 3.36Å; I63-Q67 PolarHBondContact O-N 3.14Å
64S77.5Confident69.1Low59 Ų59100.7 Ų100.741%0.41349%0.491SS..Hα-helixtrans-60.9-45.7179.1-55.40000111.3E60 R61 Y66 Q67 E68E60-S64 PolarHBondContact O-N 3.38Å; E60-S64 PolarHBondContact O-OG 3.4Å; R61-S64 PolarHBondContact O-N 3.46Å; S64-Y66 VanDerWaalsContact C-N 3.32Å; S64-Y66 PolarHBondContact O-N 2.97Å; S64-Q67 WeakPolarHBondContact O-CB 3.43Å; S64-Q67 PolarHBondContact O-N 3.36Å; S64-Q67 VanDerWaalsContact O-N 3.1Å; S64-E68 PolarHBondContact O-N 2.95Å
65H73.8Confident66.8Low60 Ų60100.4 Ų100.428%0.27849%0.493SS..Hα-helixtrans-63.2-35.4177.2-179.4-86.7000113F43 R61 I63 Q67 E68 Q69F43-H65 AromaticContact CD2-ND1 3.96Å; F43-H65 HydrophobicContact CE2-CB 3.65Å; F43-H65 AromaticContact CE2-CD2 3.73Å; F43-H65 AromaticContact CE2-CE1 3.96Å; F43-H65 AromaticContact CE2-CG 3.52Å; F43-H65 AromaticContact CE2-ND1 3.72Å; F43-H65 AromaticContact CE2-NE2 3.98Å; F43-H65 HydrophobicContact CZ-CB 4.19Å; R61-H65 VanDerWaalsContact O-CB 3.3Å; R61-H65 WeakPolarHBondContact O-CB 3.04Å; R61-H65 PolarHBondContact O-N 2.79Å; I63-H65 PolarHBondContact O-N 2.98Å; H65-Q67 VanDerWaalsContact C-N 3.3Å; H65-Q67 PolarHBondContact O-N 3.33Å; H65-E68 PolarHBondContact O-N 2.89Å; H65-Q69 PolarHBondContact CD2-NE2 2.99Å; H65-Q69 PolarHBondContact CE1-NE2 3.16Å; H65-Q69 PolarHBondContact CE1-OE1 3.43Å; H65-Q69 PolarHBondContact NE2-NE2 3.48Å; H65-Q69 PolarHBondContact NE2-OE1 2.87Å; H65-Q69 VanDerWaalsContact NE2-OE1 3.15Å; H65-Q69 WeakPolarHBondContact O-CB 3.3Å; H65-Q69 WeakPolarHBondContact O-CG 3.48Å; H65-Q69 PolarHBondContact O-N 3.4Å; H65-Q69 VanDerWaalsContact O-N 3.08Å
66Y74.5Confident64Low125 Ų125106.2 Ų106.249%0.4952%0.517SS..Hα-helixtrans-62.7-37.2173.8-179.4-105000112.4M19 A62 I63 S64M19-Y66 HydrophobicContact CB-CD2 4.31Å; M19-Y66 HydrophobicContact CB-CE2 3.79Å; M19-Y66 WeakPolarHBondContact O-CD2 3.38Å; A62-Y66 PolarHBondContact O-N 3.09Å; I63-Y66 WeakPolarHBondContact O-CB 3.36Å; I63-Y66 PolarHBondContact O-N 3.41Å; S64-Y66 VanDerWaalsContact C-N 3.32Å; S64-Y66 PolarHBondContact O-N 2.97Å
67Q73.1Confident61.2Low144 Ų144109.8 Ų109.867%0.67353%0.533SS*.Hα-helixtrans-68.5-35.2177.8-66.5174.6-6.400112I63 S64 H65I63-Q67 WeakPolarHBondContact O-CG 3.36Å; I63-Q67 PolarHBondContact O-N 3.14Å; S64-Q67 WeakPolarHBondContact O-CB 3.43Å; S64-Q67 PolarHBondContact O-N 3.36Å; S64-Q67 VanDerWaalsContact O-N 3.1Å; H65-Q67 VanDerWaalsContact C-N 3.3Å; H65-Q67 PolarHBondContact O-N 3.33Å
68E62.4Low58.7Low157 Ų157113.5 Ų113.573%0.73455%0.547SS*.Hα-helixtrans-80.4-34.3-177.7-70.4178175.500113.8S64 H65 Q70S64-E68 PolarHBondContact O-N 2.95Å; H65-E68 PolarHBondContact O-N 2.89Å; E68-Q70 PolarHBondContact O-N 2.64Å
69Q57.4Low56.2Low98 Ų98115.8 Ų115.846%0.45857%0.572SS.*  trans-9841.4-159.9-74.1-155.6-8.700116.7M19 H65 Q71M19-Q69 WeakPolarHBondContact CE-O 3.36Å; H65-Q69 PolarHBondContact CD2-NE2 2.99Å; H65-Q69 PolarHBondContact CE1-NE2 3.16Å; H65-Q69 PolarHBondContact CE1-OE1 3.43Å; H65-Q69 PolarHBondContact NE2-NE2 3.48Å; H65-Q69 PolarHBondContact NE2-OE1 2.87Å; H65-Q69 VanDerWaalsContact NE2-OE1 3.15Å; H65-Q69 WeakPolarHBondContact O-CB 3.3Å; H65-Q69 WeakPolarHBondContact O-CG 3.48Å; H65-Q69 PolarHBondContact O-N 3.4Å; H65-Q69 VanDerWaalsContact O-N 3.08Å; Q69-Q71 PolarHBondContact O-N 2.85Å
70Q52.9Low53.6Low173 Ų173118 Ų11881%0.80859%0.588SS**  trans-57.421.8176.7-73.6-161.99.900117.8E68E68-Q70 PolarHBondContact O-N 2.64Å
71Q39.8Very low51.3Low172 Ų172115.9 Ų115.980%0.80458%0.583SS**SBendtrans-124.2121.2173.2-67.6179.515.200112.6Q69Q69-Q71 PolarHBondContact O-N 2.85Å
72P38.1Very low49.8Very low91 Ų91113.8 Ų113.859%0.59159%0.585SS**  trans-83.2136.5-177.631.1-32000112.6M19M19-P72 HydrophobicContact SD-CB 4.1Å
73R35.3Very low49Very low230 Ų230118.1 Ų118.187%0.86861%0.607SS**  trans-122.6117.2161.5-81.1-176.2175.7179.8-0.2110
74N29.8Very low48.7Very low132 Ų132114.6 Ų114.671%0.70659%0.589SS**  trans-103.9125177-87.6-18.6000110.8
75I29Very low48.7Very low115 Ų115113 Ų11359%0.5958%0.576SS**  trans-146.1137.5158.5-62.295.7000108.8R103I75-R103 PolarHBondContact O-NH2 2.83Å
76Q27.6Very low48.9Very low138 Ų138110.2 Ų110.265%0.64556%0.563SS**  trans-106.8152.7173.8-67.3173.13.700110.3
77L30.4Very low48.8Very low145 Ų145108.8 Ų108.876%0.75956%0.561SS**  164.3144.4124.8-82.4160.5000113.1Q39Q39-L77 PolarHBondContact OE1-O 2.92Å
78N28.6Very low49Very low121 Ų121102 Ų10265%0.64753%0.529SS*.  trans-94.8154.9-177.2-64.7-16.3000112.9
79G28.8Very low49.6Very low53 Ų5399 Ų9955%0.54652%0.524SS..  trans-158155.4163.700000113.3
80P33.5Very low50.6Low120 Ų12096 Ų9678%0.77952%0.516SS*.  trans-89.9174.1-170.85.515.5000114.7
81T38.7Very low52.2Low73 Ų7387.9 Ų87.945%0.44848%0.478SS..  trans-104.4156.3-139.474.80000116.8D32 D83D32-T81 HydrophobicContact CB-CG2 3.9Å; D32-T81 WeakPolarHBondContact OD1-CG2 3.46Å; D32-T81 VanDerWaalsContact OD2-CB 3.24Å; D32-T81 WeakPolarHBondContact OD2-CB 3.35Å; D32-T81 WeakPolarHBondContact OD2-CG2 3.31Å; T81-D83 WeakPolarHBondContact CB-OD1 3.47Å; T81-D83 PolarHBondContact OG1-OD1 3.4Å
82T48.4Very low54.1Low87 Ų8780 Ų8053%0.53444%0.441SS..  trans-132.4118146.168.20000105.2I84 R127T82-I84 PolarHBondContact O-N 3.48Å; T82-R127 PolarHBondContact O-NH1 2.95Å; T82-R127 PolarHBondContact O-NH2 3.02Å; T82-R127 PolarHBondContact OG1-NH1 2.78Å
83D64.5Low56.3Low95 Ų9579.3 Ų79.351%0.50843%0.433SS..  trans-88.9115.3-161.1-60.17.4000109.6T81 I85T81-D83 WeakPolarHBondContact CB-OD1 3.47Å; T81-D83 PolarHBondContact OG1-OD1 3.4Å; D83-I85 PolarHBondContact O-N 3.04Å
84I78.7Confident58.9Low19 Ų1968.5 Ų68.510%0.09739%0.392CS..  trans-70.1121.4161.3-56.5-178.4000106.4L31 T82 M91 F95 I98 L120 V121 A124L31-I84 HydrophobicContact CD2-CB 4.21Å; L31-I84 HydrophobicContact CD2-CD1 3.9Å; L31-I84 HydrophobicContact CD2-CG1 3.9Å; T82-I84 PolarHBondContact O-N 3.48Å; I84-M91 HydrophobicContact CG2-CE 3.76Å; I84-F95 HydrophobicContact CB-CE1 3.75Å; I84-F95 HydrophobicContact CB-CZ 4.01Å; I84-F95 HydrophobicContact CD1-CE1 4.48Å; I84-F95 HydrophobicContact CG2-CE1 3.61Å; I84-F95 HydrophobicContact CG2-CZ 3.84Å; I84-F95 WeakPolarHBondContact O-CZ 3.42Å; I84-I98 HydrophobicContact CD1-CD1 4.32Å; I84-L120 HydrophobicContact CD1-CB 4.37Å; I84-L120 HydrophobicContact CG1-CB 4.32Å; I84-V121 HydrophobicContact CD1-CG2 3.98Å; I84-A124 HydrophobicContact CD1-CB 3.83Å
85I77.4Confident61.5Low24 Ų2462.2 Ų62.212%0.12336%0.359CS..  trans-85.4120.6176.6-59.1173.3000108.4D83 R264 L265 H268D83-I85 PolarHBondContact O-N 3.04Å; I85-R264 HydrophobicContact CG2-CB 4.19Å; I85-R264 HydrophobicContact CG2-CG 3.74Å; I85-L265 HydrophobicContact CB-CD2 3.84Å; I85-L265 HydrophobicContact CD1-CD2 4.48Å; I85-L265 HydrophobicContact CG2-CD2 4.02Å; I85-L265 HydrophobicContact CG2-CG 4.25Å; I85-H268 HydrophobicContact CD1-CB 3.56Å
86G77.5Confident64.2Low2 Ų259.4 Ų59.42%0.02134%0.34CS..  trans-174.2114.3171.300000112.2Q92 F95 D261G86-Q92 PolarHBondContact O-NE2 2.99Å; G86-F95 WeakPolarHBondContact O-CE2 3.42Å; G86-D261 WeakPolarHBondContact CA-OD1 3.41Å; G86-D261 WeakPolarHBondContact CA-OD2 3.28Å
87E73.2Confident67Low95 Ų9555.1 Ų55.144%0.44432%0.322SS..  trans-99.5-21.1174.6-47.2-164168.300112.8S29 D261 R264S29-E87 WeakPolarHBondContact OG-CB 3.36Å; S29-E87 WeakPolarHBondContact OG-CG 3.41Å; E87-D261 PolarHBondContact N-OD1 3.22Å; E87-R264 IonicContact OE1-CZ 3.43Å; E87-R264 IonicContact OE1-NE 3.89Å; E87-R264 IonicContact OE1-NH1 2.65Å; E87-R264 PolarHBondContact OE1-NH1 3.08Å
88A76Confident69.7Low1 Ų148.3 Ų48.31%0.00829%0.286CS..SBendtrans-54.1141.8-179.700000111.5A90 M91 Q92 R258 E260 D261A88-A90 PolarHBondContact O-N 3.31Å; A88-A90 VanDerWaalsContact O-N 3.11Å; A88-M91 WeakPolarHBondContact O-CB 3.29Å; A88-M91 PolarHBondContact O-N 2.76Å; A88-Q92 PolarHBondContact O-N 2.87Å; A88-R258 HydrophobicContact CB-CB 3.41Å; A88-R258 VanDerWaalsContact CB-CB 3.41Å; A88-E260 HydrophobicContact CB-CB 4.49Å; A88-D261 PolarHBondContact N-OD1 2.86Å
89P75.2Confident72.4Confident96 Ų9642.5 Ų42.562%0.62326%0.255SS*.Hα-helixtrans-50.2-40.3179.6-29.235.2000113.3M91 Q92 D93P89-M91 VanDerWaalsContact C-N 3.29Å; P89-M91 PolarHBondContact O-N 2.97Å; P89-Q92 WeakPolarHBondContact O-CB 3.33Å; P89-Q92 PolarHBondContact O-N 3.44Å; P89-D93 PolarHBondContact O-N 3.45Å
90A79.5Confident75.1Confident35 Ų3546.1 Ų46.129%0.28925%0.252SS..Hα-helixtrans-63.3-30.4178.500000113.6A88 P253A88-A90 PolarHBondContact O-N 3.31Å; A88-A90 VanDerWaalsContact O-N 3.11Å; A90-P253 HydrophobicContact CB-CB 3.96Å; A90-P253 HydrophobicContact CB-CG 3.71Å
91M86.3Confident77.7Confident2 Ų241 Ų411%0.0122%0.218CC..Hα-helixtrans-77.1-27.4173.4-77.4-60-58.500112.7I84 A88 P89 D93 V94 F95 P253 R258 D261I84-M91 HydrophobicContact CG2-CE 3.76Å; A88-M91 WeakPolarHBondContact O-CB 3.29Å; A88-M91 PolarHBondContact O-N 2.76Å; P89-M91 VanDerWaalsContact C-N 3.29Å; P89-M91 PolarHBondContact O-N 2.97Å; M91-D93 VanDerWaalsContact C-N 3.27Å; M91-D93 PolarHBondContact O-N 3.17Å; M91-V94 HydrophobicContact CE-CB 4.45Å; M91-V94 HydrophobicContact CE-CG1 4.5Å; M91-V94 WeakPolarHBondContact O-CB 3.44Å; M91-V94 PolarHBondContact O-N 2.9Å; M91-V94 VanDerWaalsContact O-N 3.14Å; M91-V94 HydrophobicContact SD-CG2 4.36Å; M91-F95 HydrophobicContact CE-CD1 4.37Å; M91-F95 HydrophobicContact CE-CE1 3.55Å; M91-F95 HydrophobicContact CE-CZ 3.81Å; M91-F95 WeakPolarHBondContact O-CG 3.45Å; M91-F95 PolarHBondContact O-N 3.26Å; M91-P253 HydrophobicContact SD-CG 4.19Å; M91-R258 PolarHBondContact SD-NH1 3.34Å; M91-D261 WeakPolarHBondContact CG-OD2 3.47Å
92Q79.9Confident79.8Confident5 Ų537.9 Ų37.92%0.02320%0.199CC..Hα-helixtrans-63.7-35.3176.5-60.7-54.7-59.200111.7S29 Y45 P47 G86 A88 P89 F95 R96S29-Q92 PolarHBondContact O-NE2 3.48Å; Y45-Q92 PolarHBondContact OH-OE1 3.46Å; P47-Q92 HydrophobicContact CB-CG 4.21Å; P47-Q92 HydrophobicContact CG-CB 4.29Å; P47-Q92 HydrophobicContact CG-CG 4.09Å; G86-Q92 PolarHBondContact O-NE2 2.99Å; A88-Q92 PolarHBondContact O-N 2.87Å; P89-Q92 WeakPolarHBondContact O-CB 3.33Å; P89-Q92 PolarHBondContact O-N 3.44Å; Q92-F95 PolarHBondContact O-N 2.84Å; Q92-R96 WeakPolarHBondContact O-CB 3.38Å; Q92-R96 PolarHBondContact O-N 2.93Å
93D84.4Confident81.4Confident78 Ų7839 Ų3942%0.41719%0.193SC..Hα-helixtrans-64.5-40.2173.1-74.5-33.2000112.4P89 M91 F95 R96 I97P89-D93 PolarHBondContact O-N 3.45Å; M91-D93 VanDerWaalsContact C-N 3.27Å; M91-D93 PolarHBondContact O-N 3.17Å; D93-F95 PolarHBondContact O-N 2.93Å; D93-R96 WeakPolarHBondContact O-CB 3.38Å; D93-R96 PolarHBondContact O-N 3.32Å; D93-R96 IonicContact OD1-CZ 3.45Å; D93-R96 IonicContact OD1-NH1 3.85Å; D93-R96 PolarHBondContact OD1-NH1 3.35Å; D93-R96 IonicContact OD1-NH2 3.59Å; D93-I97 WeakPolarHBondContact O-CG1 3.36Å; D93-I97 PolarHBondContact O-N 3.19Å
94V88.8Confident82.4Confident2 Ų235.8 Ų35.81%0.01218%0.178CC..Hα-helixtrans-60.3-46.7174178.20000110.3M91 R96 I97 I98 V121 V250 H251M91-V94 HydrophobicContact CE-CB 4.45Å; M91-V94 HydrophobicContact CE-CG1 4.5Å; M91-V94 WeakPolarHBondContact O-CB 3.44Å; M91-V94 PolarHBondContact O-N 2.9Å; M91-V94 VanDerWaalsContact O-N 3.14Å; M91-V94 HydrophobicContact SD-CG2 4.36Å; V94-R96 VanDerWaalsContact C-N 3.35Å; V94-R96 PolarHBondContact O-N 3.43Å; V94-I97 PolarHBondContact O-N 3.43Å; V94-I98 HydrophobicContact CG1-CD1 3.97Å; V94-I98 WeakPolarHBondContact O-CG1 3.34Å; V94-I98 PolarHBondContact O-N 3.14Å; V94-V121 HydrophobicContact CG1-CG2 4.05Å; V94-V250 HydrophobicContact CG1-CG1 3.96Å; V94-V250 HydrophobicContact CG2-CG1 4.36Å; V94-H251 WeakPolarHBondContact CG2-O 2.83Å
95F85.9Confident82.6Confident1 Ų137.6 Ų37.60%0.00419%0.193CC..Hα-helixtrans-65.1-37.7178.7-62.9-14.9000112.6S29 L31 A34 I84 G86 M91 Q92 D93 I97 I98 G99S29-F95 VanDerWaalsContact O-CE2 3.31Å; S29-F95 WeakPolarHBondContact O-CE2 3.27Å; L31-F95 HydrophobicContact CB-CD1 4.12Å; L31-F95 HydrophobicContact CB-CD2 4.39Å; L31-F95 HydrophobicContact CB-CE1 4.12Å; L31-F95 HydrophobicContact CB-CE2 4.39Å; L31-F95 HydrophobicContact CB-CG 4.26Å; L31-F95 HydrophobicContact CB-CZ 4.26Å; L31-F95 HydrophobicContact CD1-CB 4.02Å; L31-F95 HydrophobicContact CD1-CD1 3.62Å; L31-F95 HydrophobicContact CD1-CE1 4.28Å; L31-F95 HydrophobicContact CD1-CG 3.92Å; L31-F95 HydrophobicContact CG-CD1 4.37Å; A34-F95 HydrophobicContact CB-CB 4.24Å; I84-F95 HydrophobicContact CB-CE1 3.75Å; I84-F95 HydrophobicContact CB-CZ 4.01Å; I84-F95 HydrophobicContact CD1-CE1 4.48Å; I84-F95 HydrophobicContact CG2-CE1 3.61Å; I84-F95 HydrophobicContact CG2-CZ 3.84Å; I84-F95 WeakPolarHBondContact O-CZ 3.42Å; G86-F95 WeakPolarHBondContact O-CE2 3.42Å; M91-F95 HydrophobicContact CE-CD1 4.37Å; M91-F95 HydrophobicContact CE-CE1 3.55Å; M91-F95 HydrophobicContact CE-CZ 3.81Å; M91-F95 WeakPolarHBondContact O-CG 3.45Å; M91-F95 PolarHBondContact O-N 3.26Å; Q92-F95 PolarHBondContact O-N 2.84Å; D93-F95 PolarHBondContact O-N 2.93Å; F95-I97 VanDerWaalsContact C-N 3.35Å; F95-I97 PolarHBondContact O-N 3.34Å; F95-I98 HydrophobicContact CD1-CD1 4.38Å; F95-I98 PolarHBondContact O-N 3.21Å; F95-G99 PolarHBondContact O-N 3.04Å
96R84.2Confident83.2Confident56 Ų5640.1 Ų40.121%0.21121%0.206CC..Hα-helixtrans-59.7-45.1174.1-166.3-175.8-66.2146.3-4111.3Y38 D44 Q92 D93 V94 G99 R100Y38-R96 HydrophobicContact CE2-CG 4.22Å; Y38-R96 WeakPolarHBondContact OH-CG 3.17Å; D44-R96 WeakPolarHBondContact OD1-CD 3.49Å; D44-R96 IonicContact OD1-NE 3.44Å; Q92-R96 WeakPolarHBondContact O-CB 3.38Å; Q92-R96 PolarHBondContact O-N 2.93Å; D93-R96 WeakPolarHBondContact O-CB 3.38Å; D93-R96 PolarHBondContact O-N 3.32Å; D93-R96 IonicContact OD1-CZ 3.45Å; D93-R96 IonicContact OD1-NH1 3.85Å; D93-R96 PolarHBondContact OD1-NH1 3.35Å; D93-R96 IonicContact OD1-NH2 3.59Å; V94-R96 VanDerWaalsContact C-N 3.35Å; V94-R96 PolarHBondContact O-N 3.43Å; R96-G99 PolarHBondContact O-N 3.25Å; R96-R100 WeakPolarHBondContact O-CG 3.45Å; R96-R100 PolarHBondContact O-N 3.4Å
97I87.8Confident83.9Confident48 Ų4841 Ų4125%0.24621%0.212CC..Hα-helixtrans-65-46.4177.6-62.1162.4000110.8D93 V94 F95 G99 R100 L101 I248 V250D93-I97 WeakPolarHBondContact O-CG1 3.36Å; D93-I97 PolarHBondContact O-N 3.19Å; V94-I97 PolarHBondContact O-N 3.43Å; F95-I97 VanDerWaalsContact C-N 3.35Å; F95-I97 PolarHBondContact O-N 3.34Å; I97-G99 VanDerWaalsContact C-N 3.3Å; I97-G99 PolarHBondContact O-N 2.94Å; I97-R100 PolarHBondContact O-N 3.11Å; I97-L101 HydrophobicContact CG2-CD1 3.74Å; I97-L101 HydrophobicContact CG2-CG 4.25Å; I97-L101 WeakPolarHBondContact O-CB 3.38Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.12Å; I97-I248 HydrophobicContact CG2-CG2 3.98Å; I97-V250 HydrophobicContact CB-CG2 4.34Å; I97-V250 HydrophobicContact CD1-CG2 4.34Å; I97-V250 HydrophobicContact CG2-CG2 3.62Å
98I87.1Confident85Confident1 Ų136.4 Ų36.41%0.00519%0.19CC..Hα-helixtrans-58-45.4176.9-63.8165.4000110.6L31 V35 I84 V94 F95 L101 S102 V121 A124 L125L31-I98 HydrophobicContact CD1-CB 4.09Å; L31-I98 HydrophobicContact CD1-CD1 3.94Å; L31-I98 HydrophobicContact CD1-CG2 3.96Å; V35-I98 HydrophobicContact CG2-CG2 4.15Å; I84-I98 HydrophobicContact CD1-CD1 4.32Å; V94-I98 HydrophobicContact CG1-CD1 3.97Å; V94-I98 WeakPolarHBondContact O-CG1 3.34Å; V94-I98 PolarHBondContact O-N 3.14Å; F95-I98 HydrophobicContact CD1-CD1 4.38Å; F95-I98 PolarHBondContact O-N 3.21Å; I98-L101 CarbonylContact O-C 3.56Å; I98-L101 PolarHBondContact O-N 2.92Å; I98-S102 PolarHBondContact O-N 3.36Å; I98-S102 VanDerWaalsContact O-N 3.09Å; I98-V121 HydrophobicContact CD1-CG1 4.1Å; I98-V121 HydrophobicContact CG1-CG1 4.39Å; I98-A124 HydrophobicContact CD1-CB 4.19Å; I98-A124 HydrophobicContact CG2-CB 4.27Å; I98-L125 HydrophobicContact CB-CD2 4.36Å; I98-L125 HydrophobicContact CG1-CD2 4.07Å; I98-L125 HydrophobicContact CG1-CG 4.26Å; I98-L125 HydrophobicContact CG2-CD2 4.35Å
99G84.7Confident86Confident0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-60.1-47.1177.600000112.9Y38 F95 R96 I97 L101 S102Y38-G99 WeakPolarHBondContact CB-O 3.47Å; F95-G99 PolarHBondContact O-N 3.04Å; R96-G99 PolarHBondContact O-N 3.25Å; I97-G99 VanDerWaalsContact C-N 3.3Å; I97-G99 PolarHBondContact O-N 2.94Å; G99-L101 VanDerWaalsContact C-N 3.28Å; G99-L101 PolarHBondContact O-N 3.33Å; G99-S102 VanDerWaalsContact O-CB 3.23Å; G99-S102 WeakPolarHBondContact O-CB 3.46Å; G99-S102 PolarHBondContact O-N 3.22Å; G99-S102 PolarHBondContact O-OG 3.13Å
100R86Confident87Confident128 Ų12831.8 Ų31.848%0.48316%0.16SC..Hα-helixtrans-62.7-33.8176-73.1179.8180-167.70.7112.9Y38 D44 R96 I97 S102Y38-R100 HydrophobicContact CD1-CG 4.08Å; Y38-R100 HydrophobicContact CE1-CG 3.48Å; Y38-R100 VanDerWaalsContact CE1-CG 3.48Å; Y38-R100 HydrophobicContact CE2-CG 4.28Å; Y38-R100 PolarHBondContact OH-NE 3.34Å; Y38-R100 VanDerWaalsContact OH-NE 3.1Å; D44-R100 IonicContact OD2-CZ 2.78Å; D44-R100 IonicContact OD2-NH2 3.53Å; D44-R100 PolarHBondContact OD2-NH2 2.91Å; R96-R100 WeakPolarHBondContact O-CG 3.45Å; R96-R100 PolarHBondContact O-N 3.4Å; I97-R100 PolarHBondContact O-N 3.11Å; R100-S102 VanDerWaalsContact C-N 3.33Å
101L87.5Confident87.7Confident14 Ų1430.6 Ų30.67%0.07315%0.149CC..Hα-helixtrans-83.6-4.7178.9-66.2177.7000114.1I97 I98 G99 R103 S104 V108 L125 I248I97-L101 HydrophobicContact CG2-CD1 3.74Å; I97-L101 HydrophobicContact CG2-CG 4.25Å; I97-L101 WeakPolarHBondContact O-CB 3.38Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.4Å; I97-L101 PolarHBondContact O-N 3.12Å; I98-L101 CarbonylContact O-C 3.56Å; I98-L101 PolarHBondContact O-N 2.92Å; G99-L101 VanDerWaalsContact C-N 3.28Å; G99-L101 PolarHBondContact O-N 3.33Å; L101-R103 PolarHBondContact O-N 3Å; L101-S104 PolarHBondContact O-N 3.15Å; L101-S104 VanDerWaalsContact O-O 3.07Å; L101-V108 HydrophobicContact CD1-CG2 3.59Å; L101-L125 HydrophobicContact CB-CD2 4.03Å; L101-L125 HydrophobicContact CD1-CD2 3.77Å; L101-I248 HydrophobicContact CD1-CG2 4Å; L101-I248 HydrophobicContact CD2-CG1 4.22Å
102S82.6Confident88.1Confident7 Ų730.9 Ų30.95%0.04915%0.152CC..THydrogen-bonded Turntrans-56.3-24.1179.4640000114.2I98 G99 R100 H128 S129 P130I98-S102 PolarHBondContact O-N 3.36Å; I98-S102 VanDerWaalsContact O-N 3.09Å; G99-S102 VanDerWaalsContact O-CB 3.23Å; G99-S102 WeakPolarHBondContact O-CB 3.46Å; G99-S102 PolarHBondContact O-N 3.22Å; G99-S102 PolarHBondContact O-OG 3.13Å; R100-S102 VanDerWaalsContact C-N 3.33Å; S102-H128 CarbonylContact C-O 3.3Å; S102-H128 VanDerWaalsContact C-O 3.3Å; S102-H128 WeakPolarHBondContact CA-O 3.43Å; S102-H128 WeakPolarHBondContact CB-O 3.38Å; S102-S129 WeakPolarHBondContact O-CA 3.45Å; S102-P130 WeakPolarHBondContact O-CD 3.39Å
103R82Confident88.8Confident109 Ų10933.6 Ų33.641%0.41117%0.165SC..THydrogen-bonded Turntrans-104.79.2178.9-62.3-178.2177.5-176.3-0.6113.7Q39 I75 L101Q39-R103 PolarHBondContact O-NH2 3.32Å; I75-R103 PolarHBondContact O-NH2 2.83Å; L101-R103 PolarHBondContact O-N 3Å
104S84.9Confident89.2Confident28 Ų2832.6 Ų32.620%0.19616%0.164CC..  trans-128142.1-172.8-177.90000111.8L101 I106L101-S104 PolarHBondContact O-N 3.15Å; L101-S104 VanDerWaalsContact O-O 3.07Å; S104-I106 WeakPolarHBondContact OG-CB 3.46Å; S104-I106 VanDerWaalsContact OG-CD1 3.26Å; S104-I106 WeakPolarHBondContact OG-CD1 3.34Å; S104-I106 WeakPolarHBondContact OG-CG1 3.49Å; S104-I106 PolarHBondContact OG-N 3.34Å
105S84.3Confident89.4Confident58 Ų5833 Ų3341%0.40617%0.168SC..  trans-102.822.1171.455.30000112.7R219S105-R219 WeakPolarHBondContact O-CG 3.42Å
106I89.6Confident89.8Confident76 Ų7633.1 Ų33.139%0.3917%0.169SC..  trans-63.1150.8176-69.6167.8000110.6S104 R219 V247 I248S104-I106 WeakPolarHBondContact OG-CB 3.46Å; S104-I106 VanDerWaalsContact OG-CD1 3.26Å; S104-I106 WeakPolarHBondContact OG-CD1 3.34Å; S104-I106 WeakPolarHBondContact OG-CG1 3.49Å; S104-I106 PolarHBondContact OG-N 3.34Å; I106-R219 PolarHBondContact O-NE 2.91Å; I106-V247 HydrophobicContact CG2-CB 3.83Å; I106-V247 HydrophobicContact CG2-CG1 3.43Å; I106-V247 VanDerWaalsContact CG2-CG1 3.43Å; I106-I248 HydrophobicContact CG2-CG1 4.2Å
107S92.1Very high90.2Very high20 Ų2031.5 Ų31.514%0.1417%0.17CC..  trans-68.8140.7176.2-166.80000111.8I220S107-I220 WeakPolarHBondContact CA-O 3.25Å; S107-I220 WeakPolarHBondContact CB-O 3.4Å; S107-I220 PolarHBondContact OG-O 2.95Å
108V95.3Very high90.5Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-127.5132.5-177.5-176.50000109L101 I110 L125 I220 I221 A222 I248 V250L101-V108 HydrophobicContact CD1-CG2 3.59Å; V108-I110 HydrophobicContact CG1-CG1 4.2Å; V108-L125 HydrophobicContact CB-CD1 4.11Å; V108-L125 HydrophobicContact CG1-CD1 3.84Å; V108-L125 HydrophobicContact CG2-CD1 4.19Å; V108-I220 PolarHBondContact N-O 3.11Å; V108-I221 WeakPolarHBondContact O-CA 3.37Å; V108-A222 PolarHBondContact O-N 2.81Å; V108-I248 WeakPolarHBondContact CA-O 3.3Å; V108-V250 HydrophobicContact CG1-CB 4.45Å; V108-V250 HydrophobicContact CG1-CG2 3.67Å
109L96.9Very high90.7Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-103.3119.8169.8-178.967000109.3N111 I185 A222 T224 L228 F242 N246 I248 R249 V250L109-N111 WeakPolarHBondContact CG-OD1 3.43Å; L109-I185 HydrophobicContact CD1-CG2 4.35Å; L109-A222 CarbonylContact C-O 3.44Å; L109-A222 WeakPolarHBondContact CA-O 3.47Å; L109-A222 HydrophobicContact CD1-CB 3.9Å; L109-T224 HydrophobicContact CD1-CG2 4.31Å; L109-L228 HydrophobicContact CD1-CD1 4.05Å; L109-L228 HydrophobicContact CD2-CD1 4Å; L109-F242 HydrophobicContact CD2-CE2 4.15Å; L109-N246 HydrophobicContact CD2-CB 4Å; L109-I248 PolarHBondContact N-O 3.37Å; L109-R249 CarbonylContact O-C 3.59Å; L109-R249 WeakPolarHBondContact O-CA 3.46Å; L109-V250 PolarHBondContact O-N 3.21Å
110I96.9Very high91.1Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-100.9116179.4-55.3174000108.6V108 K118 V121 A122 L125 I221 A222 A223 T224 V250 L252V108-I110 HydrophobicContact CG1-CG1 4.2Å; I110-K118 HydrophobicContact CG2-CB 3.96Å; I110-K118 HydrophobicContact CG2-CD 4.37Å; I110-K118 HydrophobicContact CG2-CG 4.01Å; I110-V121 HydrophobicContact CD1-CB 4.25Å; I110-V121 HydrophobicContact CD1-CG1 3.88Å; I110-V121 HydrophobicContact CG1-CG1 4.41Å; I110-A122 HydrophobicContact CD1-CB 3.98Å; I110-L125 HydrophobicContact CD1-CD1 4.17Å; I110-I221 HydrophobicContact CD1-CG2 3.58Å; I110-I221 HydrophobicContact CG1-CG2 4.16Å; I110-A222 PolarHBondContact N-O 3.43Å; I110-A223 HydrophobicContact CB-CB 4.1Å; I110-A223 CarbonylContact O-C 3.51Å; I110-A223 VanDerWaalsContact O-CA 3.25Å; I110-A223 WeakPolarHBondContact O-CA 3.44Å; I110-T224 PolarHBondContact O-N 3.43Å; I110-V250 CarbonylContact C-O 3.51Å; I110-V250 WeakPolarHBondContact CA-O 3.34Å; I110-L252 HydrophobicContact CG2-CD1 3.17Å
111N95.2Very high91.4Very high9 Ų932.4 Ų32.45%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-109.7133.5177.2-67.285.2000110.1L109 T224 R249 V250 H251 L252L109-N111 WeakPolarHBondContact CG-OD1 3.43Å; N111-T224 WeakPolarHBondContact CA-O 3.45Å; N111-R249 PolarHBondContact ND2-NH2 3.37Å; N111-R249 VanDerWaalsContact ND2-NH2 3.17Å; N111-R249 WeakPolarHBondContact OD1-CG 3.38Å; N111-R249 PolarHBondContact OD1-NE 2.77Å; N111-V250 PolarHBondContact N-O 3.03Å; N111-H251 CarbonylContact O-C 3.27Å; N111-H251 WeakPolarHBondContact O-CA 3.36Å; N111-L252 PolarHBondContact O-N 2.88Å
112G94.6Very high91.8Very high8 Ų831.8 Ų31.88%0.08218%0.178CC..  trans173.9157.1172.800000111.7K118 T224 H225G112-K118 PolarHBondContact O-NZ 2.87Å; G112-T224 PolarHBondContact N-O 2.94Å; G112-H225 WeakPolarHBondContact O-CA 3.46Å; G112-H225 WeakPolarHBondContact O-CB 3.39Å
113E94.9Very high92.2Very high63 Ų6334.8 Ų34.829%0.29419%0.191SC..  trans-55.7159.7178.4-68.6-179.7-173.600112.1G115 T116 P254 R256 N300E113-G115 PolarHBondContact O-N 3.04Å; E113-T116 HydrophobicContact CB-CG2 3.93Å; E113-T116 WeakPolarHBondContact O-CB 3.41Å; E113-T116 WeakPolarHBondContact O-CG2 3.47Å; E113-T116 PolarHBondContact O-N 3.36Å; E113-T116 PolarHBondContact O-OG1 3.45Å; E113-P254 WeakPolarHBondContact OE2-CB 3.43Å; E113-R256 VanDerWaalsContact CD-NH1 3.29Å; E113-R256 IonicContact OE1-CZ 3.87Å; E113-R256 VanDerWaalsContact OE1-CZ 3.23Å; E113-R256 IonicContact OE1-NH1 3.94Å; E113-R256 PolarHBondContact OE1-NH1 2.85Å; E113-R256 IonicContact OE1-NH2 3.92Å; E113-R256 PolarHBondContact OE1-NH2 3Å; E113-R256 IonicContact OE2-CZ 3.29Å; E113-R256 IonicContact OE2-NH1 2.68Å; E113-R256 PolarHBondContact OE2-NH1 3.31Å; E113-N300 VanDerWaalsContact CB-ND2 3.29Å; E113-N300 WeakPolarHBondContact CB-ND2 3.39Å; E113-N300 PolarHBondContact OE2-ND2 3.33Å
114S92.7Very high92.7Very high57 Ų5729.6 Ų29.640%0.39917%0.172SC..THydrogen-bonded Turntrans-59.6140175.4-167.70000110.6T116 N300 R302S114-T116 VanDerWaalsContact C-N 3.32Å; S114-T116 PolarHBondContact O-N 3.35Å; S114-N300 PolarHBondContact O-ND2 3.36Å; S114-R302 PolarHBondContact OG-NH1 3.46Å
115G91.8Very high93Very high9 Ų928.4 Ų28.49%0.09316%0.163CC..THydrogen-bonded Turntrans76.29.4179.800000115.5E113 N300 V301 R302E113-G115 PolarHBondContact O-N 3.04Å; G115-N300 WeakPolarHBondContact O-CB 3.29Å; G115-V301 WeakPolarHBondContact O-CA 3.49Å; G115-V301 VanDerWaalsContact O-CB 3.25Å; G115-V301 WeakPolarHBondContact O-CB 3.26Å; G115-V301 PolarHBondContact O-N 3.47Å; G115-R302 PolarHBondContact O-N 2.87Å
116T93.9Very high93.4Very high4 Ų426.3 Ų26.33%0.02515%0.147CC..SBendtrans-77.8-15.8176.849.70000114.8E113 S114 L252 R258 N300E113-T116 HydrophobicContact CB-CG2 3.93Å; E113-T116 WeakPolarHBondContact O-CB 3.41Å; E113-T116 WeakPolarHBondContact O-CG2 3.47Å; E113-T116 PolarHBondContact O-N 3.36Å; E113-T116 PolarHBondContact O-OG1 3.45Å; S114-T116 VanDerWaalsContact C-N 3.32Å; S114-T116 PolarHBondContact O-N 3.35Å; T116-L252 WeakPolarHBondContact O-CD2 3.32Å; T116-R258 PolarHBondContact O-NH2 3.29Å; T116-N300 HydrophobicContact CG2-CB 3.99Å
117G92.4Very high93.4Very high22 Ų2225.1 Ų25.123%0.22714%0.137CC..  trans10525.2-178.600000115.4E119 L120 V121G117-E119 VanDerWaalsContact C-N 3.27Å; G117-E119 PolarHBondContact O-N 3.43Å; G117-L120 WeakPolarHBondContact O-CB 3.39Å; G117-L120 PolarHBondContact O-N 3.2Å; G117-L120 VanDerWaalsContact O-N 3.08Å; G117-V121 PolarHBondContact O-N 3.25Å; G117-V121 VanDerWaalsContact O-N 3.11Å
118K94.3Very high93.1Very high13 Ų1324.6 Ų24.66%0.05713%0.132CC..Hα-helixtrans-51.5-43.6179.4-56.8-168.1-61.4-94.40113.2I110 G112 V121 A122 E184 A223I110-K118 HydrophobicContact CG2-CB 3.96Å; I110-K118 HydrophobicContact CG2-CD 4.37Å; I110-K118 HydrophobicContact CG2-CG 4.01Å; G112-K118 PolarHBondContact O-NZ 2.87Å; K118-V121 PolarHBondContact O-N 2.9Å; K118-A122 PolarHBondContact O-N 3.18Å; K118-E184 IonicContact NZ-OE1 3.17Å; K118-E184 PolarHBondContact NZ-OE1 3.23Å; K118-A223 HydrophobicContact CB-CB 4.05Å; K118-A223 HydrophobicContact CD-CB 3.96Å
119E93.1Very high92.8Very high89 Ų8925 Ų2542%0.41614%0.135SC..Hα-helixtrans-65.2-39.9178.5-175.5174.4-165.700112.4G117 V121 A122 H123 F181G117-E119 VanDerWaalsContact C-N 3.27Å; G117-E119 PolarHBondContact O-N 3.43Å; E119-V121 VanDerWaalsContact C-N 3.31Å; E119-V121 PolarHBondContact O-N 3.45Å; E119-A122 WeakPolarHBondContact O-CB 3.48Å; E119-A122 PolarHBondContact O-N 2.89Å; E119-A122 VanDerWaalsContact O-N 3.17Å; E119-H123 PolarHBondContact O-CD2 3.42Å; E119-H123 VanDerWaalsContact O-CD2 3.25Å; E119-H123 PolarHBondContact O-N 3.38Å; E119-H123 IonicContact OE1-NE2 3.85Å; E119-F181 HydrophobicContact CB-CE1 4.06Å; E119-F181 HydrophobicContact CB-CZ 4.47Å; E119-F181 HydrophobicContact CG-CE1 4.02Å
120L92.3Very high92.4Very high94 Ų9429.5 Ų29.549%0.49217%0.165SC..Hα-helixtrans-62.1-40.4174.9-65.6174.7000111.4I84 G117 H123 A124I84-L120 HydrophobicContact CD1-CB 4.37Å; I84-L120 HydrophobicContact CG1-CB 4.32Å; G117-L120 WeakPolarHBondContact O-CB 3.39Å; G117-L120 PolarHBondContact O-N 3.2Å; G117-L120 VanDerWaalsContact O-N 3.08Å; L120-H123 PolarHBondContact O-N 3.13Å; L120-A124 WeakPolarHBondContact O-CB 3.48Å; L120-A124 PolarHBondContact O-N 2.98Å
121V93.2Very high92.2Very high1 Ų131.4 Ų31.41%0.00617%0.172CC..Hα-helixtrans-64.6-41.3174.1172.20000111.2I84 V94 I98 I110 G117 K118 E119 A124 L125 V250 L252I84-V121 HydrophobicContact CD1-CG2 3.98Å; V94-V121 HydrophobicContact CG1-CG2 4.05Å; I98-V121 HydrophobicContact CD1-CG1 4.1Å; I98-V121 HydrophobicContact CG1-CG1 4.39Å; I110-V121 HydrophobicContact CD1-CB 4.25Å; I110-V121 HydrophobicContact CD1-CG1 3.88Å; I110-V121 HydrophobicContact CG1-CG1 4.41Å; G117-V121 PolarHBondContact O-N 3.25Å; G117-V121 VanDerWaalsContact O-N 3.11Å; K118-V121 PolarHBondContact O-N 2.9Å; E119-V121 VanDerWaalsContact C-N 3.31Å; E119-V121 PolarHBondContact O-N 3.45Å; V121-A124 PolarHBondContact O-N 3.13Å; V121-L125 HydrophobicContact CG1-CD1 4.14Å; V121-L125 HydrophobicContact CG1-CG 4.49Å; V121-L125 WeakPolarHBondContact O-CG 3.35Å; V121-L125 PolarHBondContact O-N 2.91Å; V121-V250 HydrophobicContact CG1-CG1 4.32Å; V121-L252 HydrophobicContact CB-CD1 4.46Å; V121-L252 HydrophobicContact CG2-CD1 4.08Å; V121-L252 HydrophobicContact CG2-CD2 3.86Å; V121-L252 HydrophobicContact CG2-CG 4.2Å
122A94.3Very high92Very high0 Ų033.1 Ų33.10%019%0.188CC..Hα-helixtrans-61.9-43.9175.700000112.2I110 K118 E119 L125 H126 F136 F181 I221I110-A122 HydrophobicContact CD1-CB 3.98Å; K118-A122 PolarHBondContact O-N 3.18Å; E119-A122 WeakPolarHBondContact O-CB 3.48Å; E119-A122 PolarHBondContact O-N 2.89Å; E119-A122 VanDerWaalsContact O-N 3.17Å; A122-L125 PolarHBondContact O-N 3.46Å; A122-H126 PolarHBondContact O-N 3.35Å; A122-F136 HydrophobicContact CB-CE2 4.43Å; A122-F136 HydrophobicContact CB-CZ 4.11Å; A122-F181 HydrophobicContact CB-CD1 4.2Å; A122-F181 HydrophobicContact CB-CD2 3.43Å; A122-F181 VanDerWaalsContact CB-CD2 3.43Å; A122-F181 HydrophobicContact CB-CE1 4.26Å; A122-F181 HydrophobicContact CB-CE2 3.52Å; A122-F181 HydrophobicContact CB-CG 3.8Å; A122-F181 HydrophobicContact CB-CZ 3.95Å; A122-I221 HydrophobicContact CB-CG2 3.94Å
123H92.2Very high91.8Very high70 Ų7043 Ų4332%0.32423%0.228SC..Hα-helixtrans-61.4-43.5173.4-82.4-67.7000112.2E119 L120 L125 H126 R127 F136E119-H123 PolarHBondContact O-CD2 3.42Å; E119-H123 VanDerWaalsContact O-CD2 3.25Å; E119-H123 PolarHBondContact O-N 3.38Å; E119-H123 IonicContact OE1-NE2 3.85Å; L120-H123 PolarHBondContact O-N 3.13Å; H123-L125 PolarHBondContact O-N 3.29Å; H123-H126 PolarHBondContact O-N 2.8Å; H123-R127 WeakPolarHBondContact O-CB 3.29Å; H123-R127 PolarHBondContact O-N 3.29Å; H123-F136 AromaticContact CE1-CD1 3.28Å; H123-F136 WeakPolarHBondContact CE1-CD1 3.25Å; H123-F136 AromaticContact CE1-CE1 3.08Å; H123-F136 WeakPolarHBondContact CE1-CE1 3.25Å; H123-F136 AromaticContact CE1-CZ 3.92Å; H123-F136 AromaticContact ND1-CD1 3.57Å; H123-F136 AromaticContact ND1-CE1 3.41Å; H123-F136 WeakPolarHBondContact ND1-CE1 3.41Å; H123-F136 AromaticContact ND1-CZ 3.85Å; H123-F136 AromaticContact NE2-CE1 3.53Å
124A90.9Very high91.8Very high1 Ų141.3 Ų41.31%0.00823%0.225CC..Hα-helixtrans-62.1-42.9176.100000112L31 I84 I98 L120 V121 H126 R127 H128L31-A124 HydrophobicContact CD2-CB 3.84Å; I84-A124 HydrophobicContact CD1-CB 3.83Å; I98-A124 HydrophobicContact CD1-CB 4.19Å; I98-A124 HydrophobicContact CG2-CB 4.27Å; L120-A124 WeakPolarHBondContact O-CB 3.48Å; L120-A124 PolarHBondContact O-N 2.98Å; V121-A124 PolarHBondContact O-N 3.13Å; A124-H126 VanDerWaalsContact C-N 3.28Å; A124-H126 PolarHBondContact O-N 2.75Å; A124-R127 PolarHBondContact O-N 2.73Å; A124-H128 WeakPolarHBondContact O-CB 3.18Å; A124-H128 PolarHBondContact O-N 2.94Å; A124-H128 PolarHBondContact O-ND1 2.79Å
125L92.4Very high91.9Very high2 Ų241 Ų411%0.0122%0.222CC..Hα-helixtrans-61.5-36.5175.3-76.2167.7000112.3I98 L101 V108 I110 V121 A122 H123 S129 R219 I221I98-L125 HydrophobicContact CB-CD2 4.36Å; I98-L125 HydrophobicContact CG1-CD2 4.07Å; I98-L125 HydrophobicContact CG1-CG 4.26Å; I98-L125 HydrophobicContact CG2-CD2 4.35Å; L101-L125 HydrophobicContact CB-CD2 4.03Å; L101-L125 HydrophobicContact CD1-CD2 3.77Å; V108-L125 HydrophobicContact CB-CD1 4.11Å; V108-L125 HydrophobicContact CG1-CD1 3.84Å; V108-L125 HydrophobicContact CG2-CD1 4.19Å; I110-L125 HydrophobicContact CD1-CD1 4.17Å; V121-L125 HydrophobicContact CG1-CD1 4.14Å; V121-L125 HydrophobicContact CG1-CG 4.49Å; V121-L125 WeakPolarHBondContact O-CG 3.35Å; V121-L125 PolarHBondContact O-N 2.91Å; A122-L125 PolarHBondContact O-N 3.46Å; H123-L125 PolarHBondContact O-N 3.29Å; L125-S129 VanDerWaalsContact O-CB 3.31Å; L125-S129 WeakPolarHBondContact O-CB 3.41Å; L125-R219 PolarHBondContact O-NH1 3.5Å; L125-I221 HydrophobicContact CB-CD1 3.67Å; L125-I221 HydrophobicContact CD1-CD1 4.18Å; L125-I221 HydrophobicContact CD1-CG2 4.34Å
126H93.2Very high92.2Very high15 Ų1542.6 Ų42.67%0.06923%0.226CC..Hα-helixtrans-71.8-53.4176.1173.576.2000111.9A122 H123 A124 H128 S129 R131 A134 F136 T179A122-H126 PolarHBondContact O-N 3.35Å; H123-H126 PolarHBondContact O-N 2.8Å; A124-H126 VanDerWaalsContact C-N 3.28Å; A124-H126 PolarHBondContact O-N 2.75Å; H126-H128 PolarHBondContact O-N 3Å; H126-S129 WeakPolarHBondContact O-CB 3.5Å; H126-S129 PolarHBondContact O-N 3.24Å; H126-S129 PolarHBondContact O-OG 3.14Å; H126-R131 PolarHBondContact CE1-O 3.41Å; H126-A134 PolarHBondContact CE1-O 2.87Å; H126-A134 VanDerWaalsContact CE1-O 3.24Å; H126-A134 PolarHBondContact NE2-O 3.03Å; H126-F136 HydrophobicContact CB-CD2 3.5Å; H126-F136 HydrophobicContact CB-CE2 3.89Å; H126-F136 HydrophobicContact CB-CG 4.48Å; H126-F136 AromaticContact CD2-CD2 3.99Å; H126-F136 AromaticContact CG-CD2 3.52Å; H126-F136 AromaticContact ND1-CD2 3.96Å; H126-T179 WeakPolarHBondContact ND1-CB 3.43Å; H126-T179 PolarHBondContact ND1-OG1 3.28Å
127R88.6Confident92.3Very high51 Ų5143.9 Ų43.919%0.19223%0.233CC..Hα-helixtrans-57-37-178.1-178.8179.371.2-136.412.4112.5D32 T82 H123 A124 S129 A132D32-R127 IonicContact OD1-NH2 3.51Å; D32-R127 PolarHBondContact OD1-NH2 2.7Å; T82-R127 PolarHBondContact O-NH1 2.95Å; T82-R127 PolarHBondContact O-NH2 3.02Å; T82-R127 PolarHBondContact OG1-NH1 2.78Å; H123-R127 WeakPolarHBondContact O-CB 3.29Å; H123-R127 PolarHBondContact O-N 3.29Å; A124-R127 PolarHBondContact O-N 2.73Å; R127-S129 VanDerWaalsContact C-N 3.33Å; R127-A132 WeakPolarHBondContact O-CB 3.37Å
128H86Confident92.5Very high8 Ų845.1 Ų45.14%0.03724%0.241CC..THydrogen-bonded Turntrans-90.22.7-177.9-58.8120.3000113.8D32 V35 Q39 S102 A124 H126D32-H128 IonicContact OD1-NE2 2.72Å; V35-H128 HydrophobicContact CG1-CB 3.84Å; V35-H128 HydrophobicContact CG2-CB 4.39Å; Q39-H128 PolarHBondContact NE2-O 3.24Å; S102-H128 CarbonylContact C-O 3.3Å; S102-H128 VanDerWaalsContact C-O 3.3Å; S102-H128 WeakPolarHBondContact CA-O 3.43Å; S102-H128 WeakPolarHBondContact CB-O 3.38Å; A124-H128 WeakPolarHBondContact O-CB 3.18Å; A124-H128 PolarHBondContact O-N 2.94Å; A124-H128 PolarHBondContact O-ND1 2.79Å; H126-H128 PolarHBondContact O-N 3Å
129S88.8Confident92.5Very high8 Ų845.1 Ų45.16%0.05624%0.241CC..SBendtrans-90.7169.8-179.576.40000113.5S102 L125 H126 R127 R131 A132S102-S129 WeakPolarHBondContact O-CA 3.45Å; L125-S129 VanDerWaalsContact O-CB 3.31Å; L125-S129 WeakPolarHBondContact O-CB 3.41Å; H126-S129 WeakPolarHBondContact O-CB 3.5Å; H126-S129 PolarHBondContact O-N 3.24Å; H126-S129 PolarHBondContact O-OG 3.14Å; R127-S129 VanDerWaalsContact C-N 3.33Å; S129-R131 PolarHBondContact O-N 2.68Å; S129-R131 PolarHBondContact OG-N 3.21Å; S129-R131 VanDerWaalsContact OG-N 3.16Å; S129-A132 WeakPolarHBondContact O-CB 3.19Å; S129-A132 PolarHBondContact O-N 2.9Å; S129-A132 VanDerWaalsContact O-N 3.14Å
130P88.9Confident92.6Very high96 Ų9643.8 Ų43.862%0.62324%0.237SC*.THydrogen-bonded Turntrans-58.9-17.5170.3-23.535.6000113.9S102S102-P130 WeakPolarHBondContact O-CD 3.39Å
131R92.2Very high92.7Very high39 Ų3939.5 Ų39.515%0.14721%0.214CC..THydrogen-bonded Turntrans-96.714.3-179-61.2-175.6-177.4-112.73.1113.4H126 S129 K133 A134 G177 G178 D217H126-R131 PolarHBondContact CE1-O 3.41Å; S129-R131 PolarHBondContact O-N 2.68Å; S129-R131 PolarHBondContact OG-N 3.21Å; S129-R131 VanDerWaalsContact OG-N 3.16Å; R131-K133 PolarHBondContact O-N 3.06Å; R131-A134 HydrophobicContact CB-CB 4.19Å; R131-A134 VanDerWaalsContact O-CB 3.25Å; R131-A134 WeakPolarHBondContact O-CB 3.33Å; R131-A134 PolarHBondContact O-N 2.98Å; R131-G177 WeakPolarHBondContact CD-O 3.41Å; R131-G177 PolarHBondContact NH1-O 2.92Å; R131-G178 VanDerWaalsContact CD-O 3.24Å; R131-G178 WeakPolarHBondContact CD-O 3.3Å; R131-D217 IonicContact CZ-OD1 3.38Å; R131-D217 IonicContact CZ-OD2 3.64Å; R131-D217 PolarHBondContact NH1-O 3.04Å; R131-D217 IonicContact NH1-OD1 3.21Å; R131-D217 IonicContact NH1-OD2 2.7Å; R131-D217 PolarHBondContact NH1-OD2 2.9Å; R131-D217 IonicContact NH2-OD1 2.69Å; R131-D217 PolarHBondContact NH2-OD1 3.44Å; R131-D217 IonicContact NH2-OD2 3.96Å; R131-D217 PolarHBondContact NH2-OD2 3.42Å
132A90.7Very high92.6Very high46 Ų4642.5 Ų42.538%0.3824%0.239SC..THydrogen-bonded Turntrans-54.3-27.2-17600000115.9R127 S129R127-A132 WeakPolarHBondContact O-CB 3.37Å; S129-A132 WeakPolarHBondContact O-CB 3.19Å; S129-A132 PolarHBondContact O-N 2.9Å; S129-A132 VanDerWaalsContact O-N 3.14Å
133K91.5Very high92.5Very high215 Ų21546.2 Ų46.294%0.93527%0.27SS*.THydrogen-bonded Turntrans-92.9-7.3178.4-63.8-175.7179.3-179.30113.5R131R131-K133 PolarHBondContact O-N 3.06Å
134A94.3Very high92.5Very high28 Ų2844.3 Ų44.323%0.23126%0.262CS..SBendtrans-89.6167.5-178.200000109.8H126 R131 G177H126-A134 PolarHBondContact CE1-O 2.87Å; H126-A134 VanDerWaalsContact CE1-O 3.24Å; H126-A134 PolarHBondContact NE2-O 3.03Å; R131-A134 HydrophobicContact CB-CB 4.19Å; R131-A134 VanDerWaalsContact O-CB 3.25Å; R131-A134 WeakPolarHBondContact O-CB 3.33Å; R131-A134 PolarHBondContact O-N 2.98Å; A134-G177 VanDerWaalsContact CB-O 3.28Å; A134-G177 WeakPolarHBondContact CB-O 3.46Å
135P95.7Very high92.6Very high51 Ų5147.6 Ų47.633%0.33128%0.283SS..  trans-64141.7-175.924.2-33.1000112.4I137 Q174 G178 T179P135-I137 HydrophobicContact CB-CD1 4.3Å; P135-I137 HydrophobicContact CB-CG1 4.44Å; P135-Q174 WeakPolarHBondContact CG-O 3.44Å; P135-G178 CarbonylContact O-C 3.57Å; P135-G178 VanDerWaalsContact O-CA 3.26Å; P135-G178 WeakPolarHBondContact O-CA 3.48Å; P135-T179 PolarHBondContact O-N 2.96Å
136F96.7Very high92.5Very high41 Ų4154.9 Ų54.918%0.1832%0.315CS..EExtended strand (participates in β ladder)trans-109.5110.7165.3-178.6-94.4000108.4A122 H123 H126 A138 T179 F181A122-F136 HydrophobicContact CB-CE2 4.43Å; A122-F136 HydrophobicContact CB-CZ 4.11Å; H123-F136 AromaticContact CE1-CD1 3.28Å; H123-F136 WeakPolarHBondContact CE1-CD1 3.25Å; H123-F136 AromaticContact CE1-CE1 3.08Å; H123-F136 WeakPolarHBondContact CE1-CE1 3.25Å; H123-F136 AromaticContact CE1-CZ 3.92Å; H123-F136 AromaticContact ND1-CD1 3.57Å; H123-F136 AromaticContact ND1-CE1 3.41Å; H123-F136 WeakPolarHBondContact ND1-CE1 3.41Å; H123-F136 AromaticContact ND1-CZ 3.85Å; H123-F136 AromaticContact NE2-CE1 3.53Å; H126-F136 HydrophobicContact CB-CD2 3.5Å; H126-F136 HydrophobicContact CB-CE2 3.89Å; H126-F136 HydrophobicContact CB-CG 4.48Å; H126-F136 AromaticContact CD2-CD2 3.99Å; H126-F136 AromaticContact CG-CD2 3.52Å; H126-F136 AromaticContact ND1-CD2 3.96Å; F136-A138 HydrophobicContact CE1-CB 3.94Å; F136-T179 WeakPolarHBondContact CA-O 3.32Å; F136-T179 HydrophobicContact CD2-CG2 4.11Å; F136-T179 HydrophobicContact CE2-CG2 4.22Å; F136-F181 HydrophobicContact CE1-CB 4.2Å; F136-F181 HydrophobicContact CE2-CB 3.87Å; F136-F181 HydrophobicContact CZ-CB 3.49Å; F136-F181 VanDerWaalsContact CZ-CB 3.49Å; F136-F181 HydrophobicContact CZ-CD1 4.11Å; F136-F181 AromaticContact CZ-CG 3.95Å; F136-F181 HydrophobicContact CZ-CG 3.95Å
137I96.8Very high92.4Very high32 Ų3260.4 Ų60.416%0.16435%0.345CS..EExtended strand (participates in β ladder)trans-108117.2179.5-54.3-58.2000108.1P135 R171 Q174 A175 T179 L180 F181P135-I137 HydrophobicContact CB-CD1 4.3Å; P135-I137 HydrophobicContact CB-CG1 4.44Å; I137-R171 HydrophobicContact CG2-CB 3.97Å; I137-R171 HydrophobicContact CG2-CG 4.19Å; I137-Q174 HydrophobicContact CD1-CB 4.12Å; I137-Q174 HydrophobicContact CG1-CB 4.12Å; I137-A175 HydrophobicContact CB-CB 4Å; I137-A175 HydrophobicContact CG1-CB 3.7Å; I137-T179 PolarHBondContact N-O 3.32Å; I137-L180 HydrophobicContact CB-CD1 4.05Å; I137-L180 HydrophobicContact CG2-CD1 3.94Å; I137-L180 CarbonylContact O-C 3.55Å; I137-L180 WeakPolarHBondContact O-CA 3.38Å; I137-F181 PolarHBondContact O-N 3.11Å
138A96Very high92.5Very high48 Ų4861.1 Ų61.140%0.39735%0.352SS..EExtended strand (participates in β ladder)trans-100.3139.1175.800000111F136 F181F136-A138 HydrophobicContact CE1-CB 3.94Å; A138-F181 HydrophobicContact CB-CB 4.41Å; A138-F181 HydrophobicContact CB-CD1 3.91Å
139L95.1Very high92.9Very high13 Ų1360.8 Ų60.87%0.06835%0.351CS..EExtended strand (participates in β ladder)trans-140.9121176.9-160.367.7000110.1M141 I144 L153 R171 F181 L182 D183L139-M141 HydrophobicContact CB-CE 3.89Å; L139-M141 HydrophobicContact CD2-CE 3.28Å; L139-M141 HydrophobicContact CG-CE 3.37Å; L139-I144 HydrophobicContact CD1-CD1 3.4Å; L139-I144 HydrophobicContact CD2-CD1 3.98Å; L139-I144 HydrophobicContact CG-CD1 3.55Å; L139-L153 HydrophobicContact CD2-CD2 3.46Å; L139-L153 VanDerWaalsContact CD2-CD2 3.46Å; L139-L153 HydrophobicContact CD2-CG 3.82Å; L139-R171 HydrophobicContact CD1-CG 4.04Å; L139-R171 HydrophobicContact CD2-CG 3.98Å; L139-F181 PolarHBondContact N-O 2.77Å; L139-L182 HydrophobicContact CB-CD2 4.49Å; L139-D183 PolarHBondContact O-N 3.07Å
140N94.7Very high93.1Very high61 Ų6162.1 Ų62.133%0.32636%0.356SS..EExtended strand (participates in β ladder)trans-94.9115.4175.6-176.3-30.5000109.9A142 A143 D183N140-A142 VanDerWaalsContact C-N 3.31Å; N140-A142 PolarHBondContact O-N 3.48Å; N140-A142 WeakPolarHBondContact OD1-CB 3.48Å; N140-A142 PolarHBondContact OD1-N 2.85Å; N140-A143 HydrophobicContact CB-CB 4.15Å; N140-A143 PolarHBondContact O-N 2.86Å; N140-A143 PolarHBondContact OD1-N 3.22Å; N140-D183 HydrophobicContact CB-CB 4.33Å
141M94.2Very high93.3Very high3 Ų357.9 Ų57.92%0.01533%0.329CS..G310 helixtrans-66.9-31.8-176.4-63.2-63.492.600112.7L139 A143 I144 I149 L153 L182 D183 E184 D187 M188L139-M141 HydrophobicContact CB-CE 3.89Å; L139-M141 HydrophobicContact CD2-CE 3.28Å; L139-M141 HydrophobicContact CG-CE 3.37Å; M141-A143 VanDerWaalsContact C-N 3.28Å; M141-A143 PolarHBondContact O-N 2.82Å; M141-I144 HydrophobicContact CE-CD1 4.29Å; M141-I149 HydrophobicContact SD-CG2 3.8Å; M141-L153 HydrophobicContact SD-CD1 4.48Å; M141-L182 HydrophobicContact CE-CD2 4.43Å; M141-D183 WeakPolarHBondContact CG-O 3.46Å; M141-D183 PolarHBondContact N-O 3.47Å; M141-E184 WeakPolarHBondContact CB-O 3.41Å; M141-D187 HydrophobicContact CB-CB 4.34Å; M141-M188 HydrophobicContact CG-CE 4.45Å; M141-M188 HydrophobicContact SD-CE 3.6Å; M141-M188 VanDerWaalsContact SD-CE 3.6Å
142A91.9Very high93.4Very high64 Ų6457.4 Ų57.453%0.52933%0.328SS..G310 helixtrans-73-20.9179.800000113N140 E184N140-A142 VanDerWaalsContact C-N 3.31Å; N140-A142 PolarHBondContact O-N 3.48Å; N140-A142 WeakPolarHBondContact OD1-CB 3.48Å; N140-A142 PolarHBondContact OD1-N 2.85Å; A142-E184 HydrophobicContact CB-CB 4.3Å
143A91.8Very high93.6Very high79 Ų7955.2 Ų55.265%0.65331%0.31SS*.G310 helixtrans-87.5-8.6-179.500000113.9N140 M141N140-A143 HydrophobicContact CB-CB 4.15Å; N140-A143 PolarHBondContact O-N 2.86Å; N140-A143 PolarHBondContact OD1-N 3.22Å; M141-A143 VanDerWaalsContact C-N 3.28Å; M141-A143 PolarHBondContact O-N 2.82Å
144I92Very high93.8Very high29 Ų2945 Ų4515%0.14927%0.266CS..SBendtrans-110.6130.7-174.5-57.7169.1000109L139 M141 K146 L148 I149 E152L139-I144 HydrophobicContact CD1-CD1 3.4Å; L139-I144 HydrophobicContact CD2-CD1 3.98Å; L139-I144 HydrophobicContact CG-CD1 3.55Å; M141-I144 HydrophobicContact CE-CD1 4.29Å; I144-K146 PolarHBondContact O-N 3.07Å; I144-L148 HydrophobicContact CG2-CB 4.08Å; I144-I149 HydrophobicContact CB-CG1 3.9Å; I144-I149 HydrophobicContact CG2-CB 4.49Å; I144-I149 HydrophobicContact CG2-CG1 3.71Å; I144-E152 HydrophobicContact CG2-CG 4.27Å
145P92.7Very high93.8Very high70 Ų7043.7 Ų43.746%0.45526%0.255SS..  trans-52.2134.1171.1-26.435.4000111.2D147 L148 I149P145-D147 VanDerWaalsContact CB-OD1 3.24Å; P145-D147 WeakPolarHBondContact CB-OD1 3.1Å; P145-D147 PolarHBondContact O-N 3.39Å; P145-D147 VanDerWaalsContact O-N 3.1Å; P145-L148 HydrophobicContact CB-CD1 4.26Å; P145-L148 HydrophobicContact CB-CG 4.3Å; P145-L148 HydrophobicContact CG-CD1 4.12Å; P145-L148 PolarHBondContact O-N 2.89Å; P145-I149 PolarHBondContact O-N 3.01Å
146K91.6Very high93.7Very high156 Ų15642 Ų4268%0.67824%0.242SC*.THydrogen-bonded Turntrans-54.8-36.5-170.1-69.5-176.5177.8-179.80113.5I144 L148 P189I144-K146 PolarHBondContact O-N 3.07Å; K146-L148 VanDerWaalsContact C-N 3.29Å; K146-L148 PolarHBondContact O-N 3.46Å; K146-P189 HydrophobicContact CB-CG 4.06Å; K146-P189 HydrophobicContact CG-CG 4.3Å
147D89.6Confident93.6Very high130 Ų13042 Ų4270%0.69524%0.243SC*.THydrogen-bonded Turntrans-69-22.5177.958.2-55.1000113.8P145P145-D147 VanDerWaalsContact CB-OD1 3.24Å; P145-D147 WeakPolarHBondContact CB-OD1 3.1Å; P145-D147 PolarHBondContact O-N 3.39Å; P145-D147 VanDerWaalsContact O-N 3.1Å
148L91.9Very high93.3Very high66 Ų6647.9 Ų47.935%0.34627%0.268SS..THydrogen-bonded Turntrans-96.6-16.8-180-62.1-177.8000113.7I144 P145 K146 E150 S151 E152I144-L148 HydrophobicContact CG2-CB 4.08Å; P145-L148 HydrophobicContact CB-CD1 4.26Å; P145-L148 HydrophobicContact CB-CG 4.3Å; P145-L148 HydrophobicContact CG-CD1 4.12Å; P145-L148 PolarHBondContact O-N 2.89Å; K146-L148 VanDerWaalsContact C-N 3.29Å; K146-L148 PolarHBondContact O-N 3.46Å; L148-E150 VanDerWaalsContact C-N 3.26Å; L148-E150 PolarHBondContact O-N 3.01Å; L148-S151 PolarHBondContact O-N 3.48Å; L148-S151 VanDerWaalsContact O-N 3.08Å; L148-S151 PolarHBondContact O-OG 3.37Å; L148-E152 PolarHBondContact O-N 2.91Å
149I93.8Very high92.9Very high1 Ų148.6 Ų48.61%0.00528%0.279CS..Hα-helixtrans-52.9-44.7-177.6-68.1175.8000111.3M141 I144 P145 S151 E152 L153 P189 V192M141-I149 HydrophobicContact SD-CG2 3.8Å; I144-I149 HydrophobicContact CB-CG1 3.9Å; I144-I149 HydrophobicContact CG2-CB 4.49Å; I144-I149 HydrophobicContact CG2-CG1 3.71Å; P145-I149 PolarHBondContact O-N 3.01Å; I149-S151 PolarHBondContact O-N 3.19Å; I149-E152 PolarHBondContact O-N 3.47Å; I149-L153 HydrophobicContact CG2-CD1 3.74Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 3.44Å; I149-P189 HydrophobicContact CD1-CG 4.21Å; I149-V192 HydrophobicContact CG2-CG1 3.97Å; I149-V192 HydrophobicContact CG2-CG2 4.33Å
150E93.3Very high92.6Very high36 Ų3649.4 Ų49.417%0.16829%0.288CS..Hα-helixtrans-60.9-46.3-179.7-167.1-179.5-139.100111.8L148 L153 F154 V192 R195 V208L148-E150 VanDerWaalsContact C-N 3.26Å; L148-E150 PolarHBondContact O-N 3.01Å; E150-L153 PolarHBondContact O-N 3.28Å; E150-F154 HydrophobicContact CG-CD2 3.82Å; E150-F154 HydrophobicContact CG-CE2 4.28Å; E150-F154 WeakPolarHBondContact O-CD2 3.43Å; E150-F154 PolarHBondContact O-N 3.19Å; E150-V192 HydrophobicContact CB-CG2 4.05Å; E150-R195 VanDerWaalsContact OE1-CD 3.22Å; E150-R195 WeakPolarHBondContact OE1-CD 3.31Å; E150-R195 IonicContact OE1-CZ 3.81Å; E150-R195 IonicContact OE1-NE 2.68Å; E150-R195 PolarHBondContact OE1-NE 3.43Å; E150-R195 IonicContact OE1-NH1 3.61Å; E150-R195 PolarHBondContact OE1-NH1 2.92Å; E150-R195 IonicContact OE1-NH2 3.52Å; E150-R195 PolarHBondContact OE1-NH2 2.74Å; E150-R195 IonicContact OE2-NH2 3.49Å; E150-V208 HydrophobicContact CB-CG2 4.48Å; E150-V208 HydrophobicContact CG-CG2 3.79Å
151S93.4Very high92.3Very high8 Ų850.2 Ų50.26%0.05629%0.289CS..Hα-helixtrans-71-30.7-178.877.20000113L148 I149 G155L148-S151 PolarHBondContact O-N 3.48Å; L148-S151 VanDerWaalsContact O-N 3.08Å; L148-S151 PolarHBondContact O-OG 3.37Å; I149-S151 PolarHBondContact O-N 3.19Å; S151-G155 WeakPolarHBondContact O-CA 3.24Å; S151-G155 PolarHBondContact O-N 3.15Å
152E93.7Very high91.8Very high29 Ų2956.9 Ų56.914%0.13633%0.33CS..Hα-helixtrans-70.9-44.4173.5-76.1-69.2145.900110.8I144 L148 I149 R168 G170 R171I144-E152 HydrophobicContact CG2-CG 4.27Å; L148-E152 PolarHBondContact O-N 2.91Å; I149-E152 PolarHBondContact O-N 3.47Å; E152-R168 IonicContact OE1-CZ 2.87Å; E152-R168 IonicContact OE1-NH1 3.56Å; E152-R168 PolarHBondContact OE1-NH1 3.23Å; E152-R168 IonicContact OE1-NH2 3.57Å; E152-R168 PolarHBondContact OE1-NH2 3.48Å; E152-R168 IonicContact OE2-NH2 2.7Å; E152-R168 PolarHBondContact OE2-NH2 3.06Å; E152-G170 CarbonylContact O-C 3.52Å; E152-G170 WeakPolarHBondContact O-CA 3.36Å; E152-R171 WeakPolarHBondContact O-CG 3.46Å; E152-R171 PolarHBondContact O-N 3.39Å; E152-R171 IonicContact OE2-CZ 3.62Å; E152-R171 IonicContact OE2-NE 2.85Å; E152-R171 PolarHBondContact OE2-NE 3.3Å; E152-R171 IonicContact OE2-NH2 3.43Å; E152-R171 PolarHBondContact OE2-NH2 2.72Å
153L95Very high91.5Very high0 Ų056.7 Ų56.70%033%0.334CS..Hα-helixtrans-68.8-52-178.9-78.7169.7000112.9L139 M141 I149 E150 G170 R171 F172 L180 L182 M188 V192L139-L153 HydrophobicContact CD2-CD2 3.46Å; L139-L153 VanDerWaalsContact CD2-CD2 3.46Å; L139-L153 HydrophobicContact CD2-CG 3.82Å; M141-L153 HydrophobicContact SD-CD1 4.48Å; I149-L153 HydrophobicContact CG2-CD1 3.74Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CB 3.43Å; I149-L153 WeakPolarHBondContact O-CG 3.3Å; I149-L153 PolarHBondContact O-N 3.44Å; E150-L153 PolarHBondContact O-N 3.28Å; L153-G170 CarbonylContact O-C 3.32Å; L153-G170 WeakPolarHBondContact O-CA 3.27Å; L153-R171 PolarHBondContact O-N 2.92Å; L153-F172 HydrophobicContact CB-CD2 4.47Å; L153-F172 HydrophobicContact CD2-CD2 4.47Å; L153-F172 HydrophobicContact CD2-CE2 4.26Å; L153-F172 PolarHBondContact O-N 3.4Å; L153-L180 HydrophobicContact CD2-CD2 4.4Å; L153-L182 HydrophobicContact CD2-CD2 3.77Å; L153-M188 HydrophobicContact CD1-CE 3.7Å; L153-V192 HydrophobicContact CD1-CG1 3.66Å
154F95.3Very high91.2Very high1 Ų153.2 Ų53.20%0.00431%0.305CS..Hα-helixtrans-103.6-6-170-53.7-62000113.6E150 F172 V192 R195 V199 F205E150-F154 HydrophobicContact CG-CD2 3.82Å; E150-F154 HydrophobicContact CG-CE2 4.28Å; E150-F154 WeakPolarHBondContact O-CD2 3.43Å; E150-F154 PolarHBondContact O-N 3.19Å; F154-F172 AromaticContact CD1-CD2 3.85Å; F154-F172 HydrophobicContact CD1-CD2 3.85Å; F154-F172 HydrophobicContact CD1-CE2 4.28Å; F154-F172 AromaticContact CE1-CD2 3.71Å; F154-F172 HydrophobicContact CE1-CD2 3.71Å; F154-F172 AromaticContact CE1-CE2 3.65Å; F154-F172 HydrophobicContact CE1-CE2 3.65Å; F154-F172 HydrophobicContact CZ-CE2 4.39Å; F154-V192 HydrophobicContact CE2-CG1 4.18Å; F154-R195 HydrophobicContact CE2-CB 3.63Å; F154-R195 HydrophobicContact CE2-CG 4.47Å; F154-R195 HydrophobicContact CZ-CB 3.65Å; F154-V199 HydrophobicContact CD1-CG2 4.36Å; F154-V199 HydrophobicContact CE1-CG2 3.6Å; F154-V199 HydrophobicContact CZ-CG2 4.37Å; F154-F205 HydrophobicContact CB-CD2 3.88Å; F154-F205 HydrophobicContact CB-CE2 4.1Å; F154-F205 HydrophobicContact CD1-CB 4.18Å; F154-F205 AromaticContact CD1-CD2 3.78Å; F154-F205 HydrophobicContact CD1-CD2 3.78Å; F154-F205 HydrophobicContact CD1-CE2 4.38Å; F154-F205 AromaticContact CD1-CG 3.95Å; F154-F205 HydrophobicContact CD1-CG 3.95Å; F154-F205 HydrophobicContact CG-CD2 4.24Å; F154-F205 VanDerWaalsContact O-CE2 3.29Å; F154-F205 WeakPolarHBondContact O-CE2 3.4Å
155G93.9Very high91Very high0 Ų057.9 Ų57.90%033%0.33CS..  trans72.6177-175.100000112.2S151 R168 V208S151-G155 WeakPolarHBondContact O-CA 3.24Å; S151-G155 PolarHBondContact O-N 3.15Å; G155-R168 CarbonylContact C-O 3.58Å; G155-R168 WeakPolarHBondContact CA-O 3.5Å; G155-V208 WeakPolarHBondContact O-CG2 3.39Å; G155-V208 PolarHBondContact O-N 3.03Å
156H94.3Very high90.8Very high14 Ų1459.2 Ų59.27%0.06534%0.337CS..BIsolated β-bridgetrans-143.5149.2179.859.8-100.5000111.9A160 F161 T166 I167 R168 V208H156-A160 HydrophobicContact CB-CB 3.93Å; H156-F161 HydrophobicContact CB-CE1 3.97Å; H156-F161 AromaticContact CE1-CZ 4Å; H156-F161 AromaticContact CG-CE1 3.78Å; H156-F161 AromaticContact ND1-CE1 3.83Å; H156-F161 AromaticContact ND1-CZ 3.97Å; H156-T166 PolarHBondContact CD2-O 3.39Å; H156-T166 PolarHBondContact NE2-O 3.49Å; H156-I167 WeakPolarHBondContact O-CA 3.3Å; H156-R168 VanDerWaalsContact CE1-CB 3.4Å; H156-R168 WeakPolarHBondContact CE1-CB 3.19Å; H156-R168 PolarHBondContact N-O 3.05Å; H156-R168 PolarHBondContact O-N 3.04Å; H156-V208 WeakPolarHBondContact CA-O 3.43Å; H156-V208 HydrophobicContact CB-CB 4.08Å
157E93.6Very high90.7Very high42 Ų4256.5 Ų56.520%0.19633%0.329CS..  trans-83.1163.2167.8-67.4-62.3159.400111G159 A160 I167 R207 V208E157-G159 PolarHBondContact O-N 3.17Å; E157-A160 VanDerWaalsContact O-CB 3.31Å; E157-A160 WeakPolarHBondContact O-CB 3.39Å; E157-A160 PolarHBondContact O-N 2.87Å; E157-I167 VanDerWaalsContact OE2-CD1 3.26Å; E157-I167 WeakPolarHBondContact OE2-CD1 3.46Å; E157-I167 WeakPolarHBondContact OE2-CG1 3.41Å; E157-R207 HydrophobicContact CG-CB 4.2Å; E157-R207 WeakPolarHBondContact OE1-CD 3.47Å; E157-R207 IonicContact OE1-CZ 2.71Å; E157-R207 IonicContact OE1-NH1 3.61Å; E157-R207 PolarHBondContact OE1-NH1 2.91Å; E157-V208 PolarHBondContact N-O 3.49Å
158K91Very high90.8Very high156 Ų15655.1 Ų55.168%0.67831%0.314SS*.THydrogen-bonded Turntrans-60.5127.1173.6-176.9178.5-178.4-177.50109.9N165 I167K158-N165 WeakPolarHBondContact CE-O 3.4Å; K158-I167 HydrophobicContact CB-CG1 4.41Å
159G88.6Confident90.9Very high62 Ų6257.4 Ų57.464%0.63932%0.323SS*.THydrogen-bonded Turntrans85.19.1179.600000115.4E157 F161 A164E157-G159 PolarHBondContact O-N 3.17Å; G159-F161 VanDerWaalsContact C-N 3.27Å; G159-F161 PolarHBondContact O-N 3.36Å; G159-A164 PolarHBondContact N-O 3.25Å
160A88.2Confident90.9Very high30 Ų3057.3 Ų57.325%0.24832%0.323CS..SBendtrans-60.9-33.1178.500000114.1H156 E157 A164 V208H156-A160 HydrophobicContact CB-CB 3.93Å; E157-A160 VanDerWaalsContact O-CB 3.31Å; E157-A160 WeakPolarHBondContact O-CB 3.39Å; E157-A160 PolarHBondContact O-N 2.87Å; A160-A164 HydrophobicContact CB-CB 4.37Å; A160-V208 HydrophobicContact CB-CB 4.35Å; A160-V208 HydrophobicContact CB-CG1 4.06Å; A160-V208 VanDerWaalsContact CB-O 3.23Å; A160-V208 WeakPolarHBondContact CB-O 3.43Å
161F87.6Confident91Very high79 Ų7958.7 Ų58.735%0.34633%0.326SS..SBendtrans-153.8170.7175.954.8-91000109.9H156 G159 G163 A164H156-F161 HydrophobicContact CB-CE1 3.97Å; H156-F161 AromaticContact CE1-CZ 4Å; H156-F161 AromaticContact CG-CE1 3.78Å; H156-F161 AromaticContact ND1-CE1 3.83Å; H156-F161 AromaticContact ND1-CZ 3.97Å; G159-F161 VanDerWaalsContact C-N 3.27Å; G159-F161 PolarHBondContact O-N 3.36Å; F161-G163 PolarHBondContact O-N 2.86Å; F161-G163 VanDerWaalsContact O-N 3.09Å; F161-A164 HydrophobicContact CD1-CB 4.14Å; F161-A164 HydrophobicContact CD2-CB 4.26Å; F161-A164 HydrophobicContact CE1-CB 4.06Å; F161-A164 HydrophobicContact CE2-CB 4.17Å; F161-A164 HydrophobicContact CG-CB 4.23Å; F161-A164 HydrophobicContact CZ-CB 4.07Å; F161-A164 WeakPolarHBondContact O-CB 3.42Å; F161-A164 PolarHBondContact O-N 3.44Å
162T84.7Confident91.1Very high143 Ų14358.4 Ų58.488%0.87732%0.324SS*.THydrogen-bonded Turntrans-60113.3177.951.20000110.6
163G84.6Confident91.1Very high60 Ų6058.4 Ų58.462%0.61932%0.324SS*.THydrogen-bonded Turntrans105.6-8.7-177.400000115.2F161 N165F161-G163 PolarHBondContact O-N 2.86Å; F161-G163 VanDerWaalsContact O-N 3.09Å; G163-N165 VanDerWaalsContact C-N 3.26Å; G163-N165 PolarHBondContact O-N 3.45Å
164A85.9Confident91.1Very high5 Ų561.6 Ų61.64%0.04134%0.339CS..  trans-73.673.3176.400000112G159 A160 F161G159-A164 PolarHBondContact N-O 3.25Å; A160-A164 HydrophobicContact CB-CB 4.37Å; F161-A164 HydrophobicContact CD1-CB 4.14Å; F161-A164 HydrophobicContact CD2-CB 4.26Å; F161-A164 HydrophobicContact CE1-CB 4.06Å; F161-A164 HydrophobicContact CE2-CB 4.17Å; F161-A164 HydrophobicContact CG-CB 4.23Å; F161-A164 HydrophobicContact CZ-CB 4.07Å; F161-A164 WeakPolarHBondContact O-CB 3.42Å; F161-A164 PolarHBondContact O-N 3.44Å
165N87.9Confident91.1Very high128 Ų12861.5 Ų61.568%0.68434%0.339SS*.  trans-79.7-21-175-69.4-25.4000113.8K158 G163K158-N165 WeakPolarHBondContact CE-O 3.4Å; G163-N165 VanDerWaalsContact C-N 3.26Å; G163-N165 PolarHBondContact O-N 3.45Å
166T89Confident91.2Very high97 Ų9765.3 Ų65.360%0.59536%0.359SS*.SBendtrans-132.1159.7-178.157.60000110.4H156H156-T166 PolarHBondContact CD2-O 3.39Å; H156-T166 PolarHBondContact NE2-O 3.49Å
167I90Very high91.2Very high99 Ų9966.1 Ų66.151%0.50837%0.371SS..  trans-73.2137.6167.8-57.9172.9000107.9H156 E157 K158H156-I167 WeakPolarHBondContact O-CA 3.3Å; E157-I167 VanDerWaalsContact OE2-CD1 3.26Å; E157-I167 WeakPolarHBondContact OE2-CD1 3.46Å; E157-I167 WeakPolarHBondContact OE2-CG1 3.41Å; K158-I167 HydrophobicContact CB-CG1 4.41Å
168R91.6Very high91.3Very high101 Ų10164.1 Ų64.138%0.38136%0.362SS..BIsolated β-bridgetrans-130.2128.5175.2-170.5174.3177.2-156.9-12.6110.1E152 G155 H156E152-R168 IonicContact OE1-CZ 2.87Å; E152-R168 IonicContact OE1-NH1 3.56Å; E152-R168 PolarHBondContact OE1-NH1 3.23Å; E152-R168 IonicContact OE1-NH2 3.57Å; E152-R168 PolarHBondContact OE1-NH2 3.48Å; E152-R168 IonicContact OE2-NH2 2.7Å; E152-R168 PolarHBondContact OE2-NH2 3.06Å; G155-R168 CarbonylContact C-O 3.58Å; G155-R168 WeakPolarHBondContact CA-O 3.5Å; H156-R168 VanDerWaalsContact CE1-CB 3.4Å; H156-R168 WeakPolarHBondContact CE1-CB 3.19Å; H156-R168 PolarHBondContact N-O 3.05Å; H156-R168 PolarHBondContact O-N 3.04Å
169Q92.6Very high91.6Very high114 Ų11456.7 Ų56.753%0.53333%0.329SS..  trans-70.8136174.4-70.7179.9-19.800110.9E173 Q174Q169-E173 WeakPolarHBondContact CA-OE1 3.37Å; Q169-E173 HydrophobicContact CB-CB 4.29Å; Q169-Q174 PolarHBondContact O-NE2 2.97Å
170G94.2Very high92Very high0 Ų053.8 Ų53.80%030%0.299CS..  trans-76.5168.4175.900000113.3E152 L153 F172 E173 Q174E152-G170 CarbonylContact O-C 3.52Å; E152-G170 WeakPolarHBondContact O-CA 3.36Å; L153-G170 CarbonylContact O-C 3.32Å; L153-G170 WeakPolarHBondContact O-CA 3.27Å; G170-F172 PolarHBondContact O-N 2.93Å; G170-E173 PolarHBondContact N-OE1 2.75Å; G170-E173 PolarHBondContact O-N 3.29Å; G170-E173 VanDerWaalsContact O-N 3.17Å; G170-Q174 WeakPolarHBondContact O-CG 3.3Å; G170-Q174 PolarHBondContact O-N 3.48Å
171R95.3Very high92.5Very high64 Ų6452.4 Ų52.424%0.24229%0.287CS..Hα-helixtrans-62.4-30.2174.2-61.1-38.3172.7152.63.6113.2I137 L139 E152 L153 E173 Q174 A175 L180I137-R171 HydrophobicContact CG2-CB 3.97Å; I137-R171 HydrophobicContact CG2-CG 4.19Å; L139-R171 HydrophobicContact CD1-CG 4.04Å; L139-R171 HydrophobicContact CD2-CG 3.98Å; E152-R171 WeakPolarHBondContact O-CG 3.46Å; E152-R171 PolarHBondContact O-N 3.39Å; E152-R171 IonicContact OE2-CZ 3.62Å; E152-R171 IonicContact OE2-NE 2.85Å; E152-R171 PolarHBondContact OE2-NE 3.3Å; E152-R171 IonicContact OE2-NH2 3.43Å; E152-R171 PolarHBondContact OE2-NH2 2.72Å; L153-R171 PolarHBondContact O-N 2.92Å; R171-E173 VanDerWaalsContact C-N 3.34Å; R171-E173 PolarHBondContact O-N 3.04Å; R171-Q174 VanDerWaalsContact CD-OE1 3.28Å; R171-Q174 PolarHBondContact O-N 2.96Å; R171-A175 VanDerWaalsContact O-CB 3.23Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 3.32Å; R171-L180 HydrophobicContact CB-CD1 3.95Å
172F95.5Very high92.9Very high2 Ų248.6 Ų48.61%0.00927%0.271CS..Hα-helixtrans-61.6-40.8173.1-92.7-78.3000112.8L153 F154 G170 A175 D176 L180 L196 V199 F205 V216 V218 I220L153-F172 HydrophobicContact CB-CD2 4.47Å; L153-F172 HydrophobicContact CD2-CD2 4.47Å; L153-F172 HydrophobicContact CD2-CE2 4.26Å; L153-F172 PolarHBondContact O-N 3.4Å; F154-F172 AromaticContact CD1-CD2 3.85Å; F154-F172 HydrophobicContact CD1-CD2 3.85Å; F154-F172 HydrophobicContact CD1-CE2 4.28Å; F154-F172 AromaticContact CE1-CD2 3.71Å; F154-F172 HydrophobicContact CE1-CD2 3.71Å; F154-F172 AromaticContact CE1-CE2 3.65Å; F154-F172 HydrophobicContact CE1-CE2 3.65Å; F154-F172 HydrophobicContact CZ-CE2 4.39Å; G170-F172 PolarHBondContact O-N 2.93Å; F172-A175 PolarHBondContact O-N 3.31Å; F172-D176 PolarHBondContact O-N 3.13Å; F172-L180 HydrophobicContact CD1-CD2 4.03Å; F172-L180 HydrophobicContact CD2-CD2 3.94Å; F172-L180 HydrophobicContact CE1-CD2 3.8Å; F172-L180 HydrophobicContact CE2-CD2 3.69Å; F172-L180 HydrophobicContact CG-CD2 4.09Å; F172-L180 HydrophobicContact CZ-CD2 3.61Å; F172-L196 HydrophobicContact CE2-CD1 3.96Å; F172-L196 HydrophobicContact CZ-CD1 3.5Å; F172-V199 HydrophobicContact CD1-CG1 3.94Å; F172-V199 HydrophobicContact CE1-CB 4.42Å; F172-V199 HydrophobicContact CE1-CG1 3.65Å; F172-V199 HydrophobicContact CZ-CB 4.39Å; F172-V199 HydrophobicContact CZ-CG1 4.09Å; F172-F205 HydrophobicContact CB-CD1 4.27Å; F172-F205 HydrophobicContact CB-CE1 3.54Å; F172-F205 HydrophobicContact CB-CZ 3.77Å; F172-F205 HydrophobicContact CG-CE1 4.28Å; F172-V216 HydrophobicContact CD1-CG2 4.07Å; F172-V218 HydrophobicContact CD1-CB 4.37Å; F172-V218 HydrophobicContact CD1-CG2 4.09Å; F172-I220 HydrophobicContact CE1-CD1 3.89Å; F172-I220 HydrophobicContact CZ-CD1 4.13Å
173E95Very high93.5Very high29 Ų2942.6 Ų42.614%0.13623%0.233CC..Hα-helixtrans-69.1-41177.2-55.6-173.7-117.600111.2Q169 G170 R171 A175 D176 F205 R207 V214Q169-E173 WeakPolarHBondContact CA-OE1 3.37Å; Q169-E173 HydrophobicContact CB-CB 4.29Å; G170-E173 PolarHBondContact N-OE1 2.75Å; G170-E173 PolarHBondContact O-N 3.29Å; G170-E173 VanDerWaalsContact O-N 3.17Å; R171-E173 VanDerWaalsContact C-N 3.34Å; R171-E173 PolarHBondContact O-N 3.04Å; E173-A175 PolarHBondContact O-N 3.13Å; E173-D176 WeakPolarHBondContact O-CB 3.32Å; E173-D176 PolarHBondContact O-N 2.97Å; E173-F205 HydrophobicContact CG-CE2 4.41Å; E173-F205 HydrophobicContact CG-CZ 3.61Å; E173-R207 IonicContact OE1-CZ 2.77Å; E173-R207 IonicContact OE1-NE 2.62Å; E173-R207 PolarHBondContact OE1-NE 3.04Å; E173-R207 IonicContact OE1-NH2 3.37Å; E173-R207 PolarHBondContact OE1-NH2 3.32Å; E173-R207 IonicContact OE2-CZ 3.91Å; E173-R207 IonicContact OE2-NE 3.04Å; E173-R207 IonicContact OE2-NH2 3.87Å; E173-R207 PolarHBondContact OE2-NH2 2.65Å; E173-V214 HydrophobicContact CG-CG1 4.02Å
174Q94.7Very high94Very high67 Ų6740.4 Ų40.431%0.31321%0.207SC..Hα-helixtrans-65.1-29.3177.1-65.7171.914.600112.4P135 I137 Q169 G170 R171P135-Q174 WeakPolarHBondContact CG-O 3.44Å; I137-Q174 HydrophobicContact CD1-CB 4.12Å; I137-Q174 HydrophobicContact CG1-CB 4.12Å; Q169-Q174 PolarHBondContact O-NE2 2.97Å; G170-Q174 WeakPolarHBondContact O-CG 3.3Å; G170-Q174 PolarHBondContact O-N 3.48Å; R171-Q174 VanDerWaalsContact CD-OE1 3.28Å; R171-Q174 PolarHBondContact O-N 2.96Å
175A95.7Very high94.5Very high0 Ų040.2 Ų40.20%021%0.205CC..THydrogen-bonded Turntrans-914.1179.800000113.4I137 R171 F172 E173 G177 G178 L180 V218I137-A175 HydrophobicContact CB-CB 4Å; I137-A175 HydrophobicContact CG1-CB 3.7Å; R171-A175 VanDerWaalsContact O-CB 3.23Å; R171-A175 WeakPolarHBondContact O-CB 3.47Å; R171-A175 PolarHBondContact O-N 3.32Å; F172-A175 PolarHBondContact O-N 3.31Å; E173-A175 PolarHBondContact O-N 3.13Å; A175-G177 PolarHBondContact O-N 3.4Å; A175-G178 CarbonylContact O-C 3.58Å; A175-G178 VanDerWaalsContact O-CA 3.31Å; A175-G178 WeakPolarHBondContact O-CA 3.37Å; A175-G178 PolarHBondContact O-N 2.89Å; A175-L180 HydrophobicContact CB-CB 3.96Å; A175-L180 HydrophobicContact CB-CD1 4.4Å; A175-V218 HydrophobicContact CB-CG1 3.81Å; A175-V218 HydrophobicContact CB-CG2 4.26Å
176D96.1Very high94.8Very high80 Ų8034.1 Ų34.143%0.42817%0.173SC..THydrogen-bonded Turntrans-57.5134.6-179.1-172.337.3000111.5F172 E173 G178 V216 D217F172-D176 PolarHBondContact O-N 3.13Å; E173-D176 WeakPolarHBondContact O-CB 3.32Å; E173-D176 PolarHBondContact O-N 2.97Å; D176-G178 PolarHBondContact O-N 2.95Å; D176-G178 VanDerWaalsContact O-N 3.13Å; D176-V216 HydrophobicContact CB-CB 4.45Å; D176-V216 HydrophobicContact CB-CG1 4.25Å; D176-V216 WeakPolarHBondContact OD1-CA 3.48Å; D176-D217 PolarHBondContact OD1-N 3.33Å
177G94.2Very high95.1Very high31 Ų3131.7 Ų31.732%0.3216%0.156SC..THydrogen-bonded Turntrans72.5-9.8-170.800000114.8R131 A134 A175 D217R131-G177 WeakPolarHBondContact CD-O 3.41Å; R131-G177 PolarHBondContact NH1-O 2.92Å; A134-G177 VanDerWaalsContact CB-O 3.28Å; A134-G177 WeakPolarHBondContact CB-O 3.46Å; A175-G177 PolarHBondContact O-N 3.4Å; G177-D217 WeakPolarHBondContact CA-O 3.32Å; G177-D217 PolarHBondContact N-O 3.48Å
178G95.7Very high95.4Very high0 Ų027.2 Ų27.20%013%0.133CC..SBendtrans-112.4-141.6-172.300000115.2R131 P135 A175 D176 R219R131-G178 VanDerWaalsContact CD-O 3.24Å; R131-G178 WeakPolarHBondContact CD-O 3.3Å; P135-G178 CarbonylContact O-C 3.57Å; P135-G178 VanDerWaalsContact O-CA 3.26Å; P135-G178 WeakPolarHBondContact O-CA 3.48Å; A175-G178 CarbonylContact O-C 3.58Å; A175-G178 VanDerWaalsContact O-CA 3.31Å; A175-G178 WeakPolarHBondContact O-CA 3.37Å; A175-G178 PolarHBondContact O-N 2.89Å; D176-G178 PolarHBondContact O-N 2.95Å; D176-G178 VanDerWaalsContact O-N 3.13Å; G178-R219 PolarHBondContact O-N 3.39Å; G178-R219 VanDerWaalsContact O-N 3.08Å
179T96.5Very high95.5Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-131130.7-179.6-57.10000110H126 P135 F136 I137 R219 I221H126-T179 WeakPolarHBondContact ND1-CB 3.43Å; H126-T179 PolarHBondContact ND1-OG1 3.28Å; P135-T179 PolarHBondContact O-N 2.96Å; F136-T179 WeakPolarHBondContact CA-O 3.32Å; F136-T179 HydrophobicContact CD2-CG2 4.11Å; F136-T179 HydrophobicContact CE2-CG2 4.22Å; I137-T179 PolarHBondContact N-O 3.32Å; T179-R219 CarbonylContact C-O 3.54Å; T179-R219 VanDerWaalsContact CA-O 3.29Å; T179-R219 WeakPolarHBondContact CA-O 3.18Å; T179-R219 HydrophobicContact CG2-CB 4.37Å; T179-R219 HydrophobicContact CG2-CG 4.32Å; T179-I221 HydrophobicContact CG2-CD1 3.64Å; T179-I221 HydrophobicContact CG2-CG1 3.85Å
180L97.1Very high95.6Very high0 Ų022 Ų220%012%0.118CC..EExtended strand (participates in β ladder)trans-104.9117.9171.1-179.867.6000108.7I137 L153 R171 F172 A175 L182 V218 R219 I220 I221I137-L180 HydrophobicContact CB-CD1 4.05Å; I137-L180 HydrophobicContact CG2-CD1 3.94Å; I137-L180 CarbonylContact O-C 3.55Å; I137-L180 WeakPolarHBondContact O-CA 3.38Å; L153-L180 HydrophobicContact CD2-CD2 4.4Å; R171-L180 HydrophobicContact CB-CD1 3.95Å; F172-L180 HydrophobicContact CD1-CD2 4.03Å; F172-L180 HydrophobicContact CD2-CD2 3.94Å; F172-L180 HydrophobicContact CE1-CD2 3.8Å; F172-L180 HydrophobicContact CE2-CD2 3.69Å; F172-L180 HydrophobicContact CG-CD2 4.09Å; F172-L180 HydrophobicContact CZ-CD2 3.61Å; A175-L180 HydrophobicContact CB-CB 3.96Å; A175-L180 HydrophobicContact CB-CD1 4.4Å; L180-L182 HydrophobicContact CD1-CD2 4.38Å; L180-L182 HydrophobicContact CD2-CD2 3.97Å; L180-L182 HydrophobicContact CD2-CG 4.44Å; L180-L182 HydrophobicContact CG-CD2 3.91Å; L180-L182 HydrophobicContact CG-CG 4.27Å; L180-V218 HydrophobicContact CB-CG1 3.46Å; L180-V218 VanDerWaalsContact CB-CG1 3.46Å; L180-R219 PolarHBondContact N-O 2.97Å; L180-I220 HydrophobicContact CB-CD1 3.84Å; L180-I220 HydrophobicContact CD2-CD1 3.99Å; L180-I220 HydrophobicContact CG-CD1 4.34Å; L180-I221 PolarHBondContact O-N 3.36Å
181F97.7Very high95.6Very high1 Ų126.7 Ų26.70%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-96.9116.6174.9174.8-125000109.9E119 A122 F136 I137 A138 L139 D183 I221 A223E119-F181 HydrophobicContact CB-CE1 4.06Å; E119-F181 HydrophobicContact CB-CZ 4.47Å; E119-F181 HydrophobicContact CG-CE1 4.02Å; A122-F181 HydrophobicContact CB-CD1 4.2Å; A122-F181 HydrophobicContact CB-CD2 3.43Å; A122-F181 VanDerWaalsContact CB-CD2 3.43Å; A122-F181 HydrophobicContact CB-CE1 4.26Å; A122-F181 HydrophobicContact CB-CE2 3.52Å; A122-F181 HydrophobicContact CB-CG 3.8Å; A122-F181 HydrophobicContact CB-CZ 3.95Å; F136-F181 HydrophobicContact CE1-CB 4.2Å; F136-F181 HydrophobicContact CE2-CB 3.87Å; F136-F181 HydrophobicContact CZ-CB 3.49Å; F136-F181 VanDerWaalsContact CZ-CB 3.49Å; F136-F181 HydrophobicContact CZ-CD1 4.11Å; F136-F181 AromaticContact CZ-CG 3.95Å; F136-F181 HydrophobicContact CZ-CG 3.95Å; I137-F181 PolarHBondContact O-N 3.11Å; A138-F181 HydrophobicContact CB-CB 4.41Å; A138-F181 HydrophobicContact CB-CD1 3.91Å; L139-F181 PolarHBondContact N-O 2.77Å; F181-D183 HydrophobicContact CD1-CB 4.45Å; F181-D183 HydrophobicContact CE1-CB 3.69Å; F181-D183 HydrophobicContact CZ-CB 3.74Å; F181-I221 CarbonylContact C-O 3.56Å; F181-I221 VanDerWaalsContact CA-O 3.29Å; F181-I221 WeakPolarHBondContact CA-O 3.34Å; F181-I221 HydrophobicContact CD2-CB 4.1Å; F181-I221 HydrophobicContact CD2-CG2 3.84Å; F181-I221 WeakPolarHBondContact CD2-O 3.04Å; F181-I221 HydrophobicContact CE2-CG2 4.24Å; F181-A223 HydrophobicContact CE2-CB 3.48Å; F181-A223 VanDerWaalsContact CE2-CB 3.48Å; F181-A223 HydrophobicContact CZ-CB 3.65Å
182L97.2Very high95.6Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-104.495.6178.7-59.3176.2000109.1L139 M141 L153 L180 I185 L196 I220 I221 A222 A223L139-L182 HydrophobicContact CB-CD2 4.49Å; M141-L182 HydrophobicContact CE-CD2 4.43Å; L153-L182 HydrophobicContact CD2-CD2 3.77Å; L180-L182 HydrophobicContact CD1-CD2 4.38Å; L180-L182 HydrophobicContact CD2-CD2 3.97Å; L180-L182 HydrophobicContact CD2-CG 4.44Å; L180-L182 HydrophobicContact CG-CD2 3.91Å; L180-L182 HydrophobicContact CG-CG 4.27Å; L182-I185 HydrophobicContact CB-CD1 4.04Å; L182-I185 HydrophobicContact CD1-CD1 3.91Å; L182-L196 HydrophobicContact CD1-CD1 4.31Å; L182-L196 HydrophobicContact CD1-CD2 3.91Å; L182-I220 HydrophobicContact CD1-CG2 4.19Å; L182-I221 PolarHBondContact N-O 3.46Å; L182-A222 CarbonylContact O-C 3.56Å; L182-A222 WeakPolarHBondContact O-CA 3.2Å; L182-A223 PolarHBondContact O-N 3.11Å
183D96.7Very high95.6Very high17 Ų1723.5 Ų23.59%0.09113%0.131CC..EExtended strand (participates in β ladder)trans-82.3145.7176.8-161.520.4000111.2L139 N140 M141 F181 I185 A223L139-D183 PolarHBondContact O-N 3.07Å; N140-D183 HydrophobicContact CB-CB 4.33Å; M141-D183 WeakPolarHBondContact CG-O 3.46Å; M141-D183 PolarHBondContact N-O 3.47Å; F181-D183 HydrophobicContact CD1-CB 4.45Å; F181-D183 HydrophobicContact CE1-CB 3.69Å; F181-D183 HydrophobicContact CZ-CB 3.74Å; D183-I185 VanDerWaalsContact C-N 3.34Å; D183-I185 PolarHBondContact O-N 3.15Å; D183-A223 WeakPolarHBondContact OD1-CB 3.22Å
184E96.1Very high95.5Very high14 Ų1424 Ų247%0.06514%0.135CC..THydrogen-bonded Turntrans50.248.8-173.8-53.7-57.4169.500113.6K118 M141 A142 G186 D187 A223 H225K118-E184 IonicContact NZ-OE1 3.17Å; K118-E184 PolarHBondContact NZ-OE1 3.23Å; M141-E184 WeakPolarHBondContact CB-O 3.41Å; A142-E184 HydrophobicContact CB-CB 4.3Å; E184-G186 PolarHBondContact O-N 3.07Å; E184-D187 PolarHBondContact O-N 3.44Å; E184-A223 CarbonylContact C-O 3.59Å; E184-A223 VanDerWaalsContact CA-O 3.3Å; E184-A223 WeakPolarHBondContact CA-O 3.45Å; E184-A223 PolarHBondContact N-O 2.87Å; E184-H225 VanDerWaalsContact CD-ND1 3.29Å; E184-H225 IonicContact OE1-ND1 2.72Å; E184-H225 PolarHBondContact OE1-ND1 3.2Å; E184-H225 IonicContact OE2-CE1 2.92Å; E184-H225 IonicContact OE2-CG 3.44Å; E184-H225 PolarHBondContact OE2-N 3.18Å; E184-H225 IonicContact OE2-ND1 2.9Å; E184-H225 PolarHBondContact OE2-ND1 3.43Å
185I96.4Very high95.4Very high0 Ų024.8 Ų24.80%014%0.135CC..G310 helixtrans-54.8-25.1-177.3-168.360.5000113.6L109 L182 D183 D187 M188 L196 A222 A223 T224 L228 F237 L245L109-I185 HydrophobicContact CD1-CG2 4.35Å; L182-I185 HydrophobicContact CB-CD1 4.04Å; L182-I185 HydrophobicContact CD1-CD1 3.91Å; D183-I185 VanDerWaalsContact C-N 3.34Å; D183-I185 PolarHBondContact O-N 3.15Å; I185-D187 PolarHBondContact O-N 2.81Å; I185-M188 HydrophobicContact CD1-CB 4.35Å; I185-M188 HydrophobicContact CD1-CE 3.55Å; I185-M188 HydrophobicContact CD1-SD 3.99Å; I185-M188 VanDerWaalsContact O-CB 3.32Å; I185-M188 WeakPolarHBondContact O-CB 3.41Å; I185-M188 PolarHBondContact O-N 3.41Å; I185-L196 HydrophobicContact CD1-CD2 4.13Å; I185-A222 HydrophobicContact CB-CB 4.27Å; I185-A222 HydrophobicContact CG1-CB 4.41Å; I185-A222 HydrophobicContact CG2-CB 4.17Å; I185-A223 PolarHBondContact N-O 3.22Å; I185-T224 HydrophobicContact CG2-CG2 4.41Å; I185-L228 HydrophobicContact CG2-CD1 4.18Å; I185-F237 HydrophobicContact CG1-CE2 4.17Å; I185-F237 HydrophobicContact CG1-CZ 4.22Å; I185-L245 HydrophobicContact CG1-CD1 3.99Å
186G94.6Very high95.4Very high1 Ų124.8 Ų24.81%0.0114%0.135CC..G310 helixtrans-64.8-14.8176.400000114.9E184 R231E184-G186 PolarHBondContact O-N 3.07Å; G186-R231 PolarHBondContact O-NH1 2.96Å
187D94.2Very high95.3Very high46 Ų4622.7 Ų22.725%0.24612%0.124CC..G310 helixtrans-94-0.6177.3-65.4-34.9000113.7M141 E184 I185 Q226 R231M141-D187 HydrophobicContact CB-CB 4.34Å; E184-D187 PolarHBondContact O-N 3.44Å; I185-D187 PolarHBondContact O-N 2.81Å; D187-Q226 PolarHBondContact OD1-NE2 3.21Å; D187-Q226 PolarHBondContact OD2-NE2 3.23Å; D187-R231 IonicContact OD1-NH2 3.23Å; D187-R231 PolarHBondContact OD1-NH2 2.97Å
188M95.5Very high95.1Very high5 Ų528.9 Ų28.93%0.02514%0.138CC..SBendtrans-66.7129.6175.8-175174.6-77.400111.7M141 L153 I185 V192 Q193 L196M141-M188 HydrophobicContact CG-CE 4.45Å; M141-M188 HydrophobicContact SD-CE 3.6Å; M141-M188 VanDerWaalsContact SD-CE 3.6Å; L153-M188 HydrophobicContact CD1-CE 3.7Å; I185-M188 HydrophobicContact CD1-CB 4.35Å; I185-M188 HydrophobicContact CD1-CE 3.55Å; I185-M188 HydrophobicContact CD1-SD 3.99Å; I185-M188 VanDerWaalsContact O-CB 3.32Å; I185-M188 WeakPolarHBondContact O-CB 3.41Å; I185-M188 PolarHBondContact O-N 3.41Å; M188-V192 HydrophobicContact CE-CG1 4.09Å; M188-V192 HydrophobicContact CG-CB 3.82Å; M188-V192 HydrophobicContact CG-CG1 3.76Å; M188-V192 HydrophobicContact SD-CB 4.26Å; M188-V192 HydrophobicContact SD-CG1 3.74Å; M188-Q193 HydrophobicContact CB-CG 4.09Å; M188-Q193 HydrophobicContact CG-CG 3.78Å; M188-Q193 PolarHBondContact O-NE2 3.47Å; M188-Q193 HydrophobicContact SD-CB 4.48Å; M188-Q193 HydrophobicContact SD-CG 3.89Å; M188-L196 HydrophobicContact CE-CD2 3.98Å; M188-L196 HydrophobicContact SD-CB 4.32Å; M188-L196 HydrophobicContact SD-CD2 3.78Å
189P95.2Very high95Very high25 Ų2529.3 Ų29.316%0.16214%0.14CC..  trans-60.7148.6173.5-26.436.7000114K146 I149 D191 V192 Q193K146-P189 HydrophobicContact CB-CG 4.06Å; K146-P189 HydrophobicContact CG-CG 4.3Å; I149-P189 HydrophobicContact CD1-CG 4.21Å; P189-D191 VanDerWaalsContact C-N 3.32Å; P189-D191 WeakPolarHBondContact CB-OD1 3.39Å; P189-D191 PolarHBondContact O-N 3.05Å; P189-V192 HydrophobicContact CB-CG2 4.17Å; P189-V192 HydrophobicContact CG-CG2 4.37Å; P189-V192 PolarHBondContact O-N 2.69Å; P189-V192 VanDerWaalsContact O-N 3.12Å; P189-Q193 WeakPolarHBondContact O-CG 3.44Å; P189-Q193 PolarHBondContact O-N 3.44Å
190L94.9Very high94.8Very high81 Ų8130.8 Ų30.842%0.42415%0.148SC..Hα-helixtrans-61.2-34.6-174.5-73.5173.8000114.3Q193 T194 R238L190-Q193 PolarHBondContact O-N 2.72Å; L190-T194 PolarHBondContact O-N 2.94Å; L190-T194 VanDerWaalsContact O-N 3.08Å; L190-T194 PolarHBondContact O-OG1 2.76Å; L190-R238 HydrophobicContact CD2-CG 4.06Å
191D93Very high94.4Very high97 Ų9733.7 Ų33.752%0.51917%0.172SC..Hα-helixtrans-65.1-44.1174.957.5-47.4000111.1P189 T194 R195P189-D191 VanDerWaalsContact C-N 3.32Å; P189-D191 WeakPolarHBondContact CB-OD1 3.39Å; P189-D191 PolarHBondContact O-N 3.05Å; D191-T194 WeakPolarHBondContact O-CB 3.33Å; D191-T194 PolarHBondContact O-N 3.38Å; D191-R195 PolarHBondContact O-N 3.42Å
192V95.2Very high94Very high0 Ų038.6 Ų38.60%020%0.199CC..Hα-helixtrans-66.6-41.7174.4-176.70000111.1I149 E150 L153 F154 M188 P189 T194 R195 L196I149-V192 HydrophobicContact CG2-CG1 3.97Å; I149-V192 HydrophobicContact CG2-CG2 4.33Å; E150-V192 HydrophobicContact CB-CG2 4.05Å; L153-V192 HydrophobicContact CD1-CG1 3.66Å; F154-V192 HydrophobicContact CE2-CG1 4.18Å; M188-V192 HydrophobicContact CE-CG1 4.09Å; M188-V192 HydrophobicContact CG-CB 3.82Å; M188-V192 HydrophobicContact CG-CG1 3.76Å; M188-V192 HydrophobicContact SD-CB 4.26Å; M188-V192 HydrophobicContact SD-CG1 3.74Å; P189-V192 HydrophobicContact CB-CG2 4.17Å; P189-V192 HydrophobicContact CG-CG2 4.37Å; P189-V192 PolarHBondContact O-N 2.69Å; P189-V192 VanDerWaalsContact O-N 3.12Å; V192-T194 PolarHBondContact O-N 3.39Å; V192-R195 PolarHBondContact O-N 2.75Å; V192-L196 PolarHBondContact O-N 3.31Å
193Q96.3Very high93.7Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-55.7-40.6175-71.3178.534.600111.6M188 P189 L190 R195 L196 L197 K236 R238 L241M188-Q193 HydrophobicContact CB-CG 4.09Å; M188-Q193 HydrophobicContact CG-CG 3.78Å; M188-Q193 PolarHBondContact O-NE2 3.47Å; M188-Q193 HydrophobicContact SD-CB 4.48Å; M188-Q193 HydrophobicContact SD-CG 3.89Å; P189-Q193 WeakPolarHBondContact O-CG 3.44Å; P189-Q193 PolarHBondContact O-N 3.44Å; L190-Q193 PolarHBondContact O-N 2.72Å; Q193-R195 VanDerWaalsContact C-N 3.34Å; Q193-R195 PolarHBondContact O-N 3.23Å; Q193-L196 PolarHBondContact O-N 3.48Å; Q193-L197 PolarHBondContact O-N 3.33Å; Q193-K236 PolarHBondContact NE2-O 2.93Å; Q193-R238 HydrophobicContact CB-CG 4.3Å; Q193-L241 HydrophobicContact CB-CD2 3.54Å; Q193-L241 HydrophobicContact CG-CD2 3.62Å
194T93Very high93.6Very high38 Ų3842 Ų4223%0.23322%0.222CC..Hα-helixtrans-63.6-39.2177.7-560000111.7L190 D191 V192 R198 R238L190-T194 PolarHBondContact O-N 2.94Å; L190-T194 VanDerWaalsContact O-N 3.08Å; L190-T194 PolarHBondContact O-OG1 2.76Å; D191-T194 WeakPolarHBondContact O-CB 3.33Å; D191-T194 PolarHBondContact O-N 3.38Å; V192-T194 PolarHBondContact O-N 3.39Å; T194-R198 PolarHBondContact O-N 2.83Å; T194-R238 PolarHBondContact OG1-NH1 3.46Å; T194-R238 VanDerWaalsContact OG1-NH1 3.13Å
195R92.6Very high93.5Very high84 Ų8441.8 Ų41.832%0.31722%0.221SC..Hα-helixtrans-70.8-43.5175-70.4-160.7-179.1-174.918.5112.1E150 F154 D191 V192 Q193 L197 R198 V199E150-R195 VanDerWaalsContact OE1-CD 3.22Å; E150-R195 WeakPolarHBondContact OE1-CD 3.31Å; E150-R195 IonicContact OE1-CZ 3.81Å; E150-R195 IonicContact OE1-NE 2.68Å; E150-R195 PolarHBondContact OE1-NE 3.43Å; E150-R195 IonicContact OE1-NH1 3.61Å; E150-R195 PolarHBondContact OE1-NH1 2.92Å; E150-R195 IonicContact OE1-NH2 3.52Å; E150-R195 PolarHBondContact OE1-NH2 2.74Å; E150-R195 IonicContact OE2-NH2 3.49Å; F154-R195 HydrophobicContact CE2-CB 3.63Å; F154-R195 HydrophobicContact CE2-CG 4.47Å; F154-R195 HydrophobicContact CZ-CB 3.65Å; D191-R195 PolarHBondContact O-N 3.42Å; V192-R195 PolarHBondContact O-N 2.75Å; Q193-R195 VanDerWaalsContact C-N 3.34Å; Q193-R195 PolarHBondContact O-N 3.23Å; R195-L197 VanDerWaalsContact C-N 3.28Å; R195-L197 PolarHBondContact O-N 3.42Å; R195-R198 WeakPolarHBondContact O-CB 3.49Å; R195-R198 PolarHBondContact O-N 3.3Å; R195-V199 VanDerWaalsContact O-CG2 3.28Å; R195-V199 WeakPolarHBondContact O-CG2 3.36Å; R195-V199 PolarHBondContact O-N 2.86Å; R195-V199 VanDerWaalsContact O-N 3.13Å
196L95.1Very high93.4Very high0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-54.4-47.9176.5177.259.2000110.5F172 L182 I185 M188 V192 Q193 R198 V199 L200 L241F172-L196 HydrophobicContact CE2-CD1 3.96Å; F172-L196 HydrophobicContact CZ-CD1 3.5Å; L182-L196 HydrophobicContact CD1-CD1 4.31Å; L182-L196 HydrophobicContact CD1-CD2 3.91Å; I185-L196 HydrophobicContact CD1-CD2 4.13Å; M188-L196 HydrophobicContact CE-CD2 3.98Å; M188-L196 HydrophobicContact SD-CB 4.32Å; M188-L196 HydrophobicContact SD-CD2 3.78Å; V192-L196 PolarHBondContact O-N 3.31Å; Q193-L196 PolarHBondContact O-N 3.48Å; L196-R198 VanDerWaalsContact C-N 3.28Å; L196-R198 PolarHBondContact O-N 3.1Å; L196-V199 WeakPolarHBondContact O-CB 3.22Å; L196-V199 PolarHBondContact O-N 3.48Å; L196-L200 HydrophobicContact CD1-CD2 4.26Å; L196-L200 HydrophobicContact CD1-CG 4.27Å; L196-L200 HydrophobicContact CG-CD1 4.32Å; L196-L200 HydrophobicContact CG-CG 4.39Å; L196-L200 WeakPolarHBondContact O-CG 3.46Å; L196-L200 PolarHBondContact O-N 2.89Å; L196-L241 HydrophobicContact CB-CD1 4.49Å; L196-L241 HydrophobicContact CD2-CD1 3.91Å; L196-L241 HydrophobicContact CD2-CD2 4.15Å; L196-L241 HydrophobicContact CG-CD1 3.96Å
197L93.9Very high93.4Very high36 Ų3649.5 Ų49.519%0.18825%0.25CS..Hα-helixtrans-53.3-43176.6-178.668.8000112.9Q193 R195 V199 L200 A201 D240 L241 R244Q193-L197 PolarHBondContact O-N 3.33Å; R195-L197 VanDerWaalsContact C-N 3.28Å; R195-L197 PolarHBondContact O-N 3.42Å; L197-V199 VanDerWaalsContact C-N 3.34Å; L197-V199 PolarHBondContact O-N 3.43Å; L197-L200 PolarHBondContact O-N 2.95Å; L197-A201 PolarHBondContact O-N 3.02Å; L197-D240 HydrophobicContact CD1-CB 4.36Å; L197-D240 HydrophobicContact CD2-CB 3.98Å; L197-D240 VanDerWaalsContact CD2-OD2 3.23Å; L197-D240 WeakPolarHBondContact CD2-OD2 3.14Å; L197-L241 HydrophobicContact CB-CD1 4.49Å; L197-R244 HydrophobicContact CD1-CB 4.31Å
198R90.8Very high93.3Very high161 Ų16148.2 Ų48.261%0.60824%0.244SC*.Hα-helixtrans-63.3-40.6176.9-67.1179.1-177.61780.5111.8T194 R195 L196 L200 A201 D202T194-R198 PolarHBondContact O-N 2.83Å; R195-R198 WeakPolarHBondContact O-CB 3.49Å; R195-R198 PolarHBondContact O-N 3.3Å; L196-R198 VanDerWaalsContact C-N 3.28Å; L196-R198 PolarHBondContact O-N 3.1Å; R198-L200 VanDerWaalsContact C-N 3.34Å; R198-L200 PolarHBondContact O-N 3.19Å; R198-A201 PolarHBondContact O-N 2.89Å; R198-D202 PolarHBondContact O-N 3.36Å
199V92.6Very high93.1Very high9 Ų950.2 Ų50.26%0.05527%0.265CS..Hα-helixtrans-64.3-41.3176.7-167.30000111.1F154 F172 R195 L196 L197 A201 G203 F205 V216F154-V199 HydrophobicContact CD1-CG2 4.36Å; F154-V199 HydrophobicContact CE1-CG2 3.6Å; F154-V199 HydrophobicContact CZ-CG2 4.37Å; F172-V199 HydrophobicContact CD1-CG1 3.94Å; F172-V199 HydrophobicContact CE1-CB 4.42Å; F172-V199 HydrophobicContact CE1-CG1 3.65Å; F172-V199 HydrophobicContact CZ-CB 4.39Å; F172-V199 HydrophobicContact CZ-CG1 4.09Å; R195-V199 VanDerWaalsContact O-CG2 3.28Å; R195-V199 WeakPolarHBondContact O-CG2 3.36Å; R195-V199 PolarHBondContact O-N 2.86Å; R195-V199 VanDerWaalsContact O-N 3.13Å; L196-V199 WeakPolarHBondContact O-CB 3.22Å; L196-V199 PolarHBondContact O-N 3.48Å; L197-V199 VanDerWaalsContact C-N 3.34Å; L197-V199 PolarHBondContact O-N 3.43Å; V199-A201 PolarHBondContact O-N 2.87Å; V199-G203 WeakPolarHBondContact O-CA 3.4Å; V199-G203 PolarHBondContact O-N 3.3Å; V199-F205 HydrophobicContact CG1-CD1 4.17Å; V199-F205 HydrophobicContact CG2-CB 3.59Å; V199-F205 HydrophobicContact CG2-CD1 4.47Å; V199-F205 HydrophobicContact CG2-CG 4.34Å; V199-V216 HydrophobicContact CG1-CG2 4.36Å
200L91.7Very high92.8Very high31 Ų3149.7 Ų49.716%0.16227%0.265CS..Hα-helixtrans-67.1-23.2176.8-58.6-177.4000113.5L196 L197 R198 I220 L241 R244 L245L196-L200 HydrophobicContact CD1-CD2 4.26Å; L196-L200 HydrophobicContact CD1-CG 4.27Å; L196-L200 HydrophobicContact CG-CD1 4.32Å; L196-L200 HydrophobicContact CG-CG 4.39Å; L196-L200 WeakPolarHBondContact O-CG 3.46Å; L196-L200 PolarHBondContact O-N 2.89Å; L197-L200 PolarHBondContact O-N 2.95Å; R198-L200 VanDerWaalsContact C-N 3.34Å; R198-L200 PolarHBondContact O-N 3.19Å; L200-I220 HydrophobicContact CD2-CB 4.36Å; L200-I220 HydrophobicContact CD2-CD1 4.48Å; L200-I220 HydrophobicContact CD2-CG1 3.54Å; L200-L241 HydrophobicContact CD1-CD1 3.7Å; L200-R244 HydrophobicContact CB-CG 3.81Å; L200-R244 HydrophobicContact CD1-CB 4.21Å; L200-R244 HydrophobicContact CD1-CG 3.7Å; L200-R244 HydrophobicContact CG-CG 4.39Å; L200-R244 PolarHBondContact O-NE 3.11Å; L200-R244 PolarHBondContact O-NH2 3.04Å; L200-L245 HydrophobicContact CD1-CD2 3.8Å; L200-L245 HydrophobicContact CD1-CG 4.29Å
201A89.2Confident92.6Very high61 Ų6156.1 Ų56.150%0.50429%0.285SS..Hα-helixtrans-86.4-50.3178.200000111.6L197 R198 V199L197-A201 PolarHBondContact O-N 3.02Å; R198-A201 PolarHBondContact O-N 2.89Å; V199-A201 PolarHBondContact O-N 2.87Å
202D89.8Confident92.5Very high105 Ų10554.5 Ų54.556%0.56129%0.285SS*.Hα-helixtrans-104.2-12.5-166.2-59-27.4000114R198 Q204R198-D202 PolarHBondContact O-N 3.36Å; D202-Q204 HydrophobicContact CB-CG 3.78Å; D202-Q204 PolarHBondContact O-N 3.35Å
203G91.7Very high92.4Very high29 Ų2957.7 Ų57.730%0.29931%0.306SS..SBendtrans65.221-173.900000113.4V199 K215 V216V199-G203 WeakPolarHBondContact O-CA 3.4Å; V199-G203 PolarHBondContact O-N 3.3Å; G203-K215 WeakPolarHBondContact O-CA 3.34Å; G203-V216 PolarHBondContact O-N 3.49Å; G203-V216 VanDerWaalsContact O-O 3.13Å
204Q93.8Very high92.3Very high59 Ų5958.7 Ų58.728%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-145153-179.867.5-173.3-0.900111.7D202 V214 K215D202-Q204 HydrophobicContact CB-CG 3.78Å; D202-Q204 PolarHBondContact O-N 3.35Å; Q204-V214 CarbonylContact C-O 3.54Å; Q204-V214 WeakPolarHBondContact CA-O 3.07Å; Q204-K215 HydrophobicContact CB-CG 4.04Å
205F94.4Very high92.4Very high10 Ų1064.6 Ų64.64%0.04433%0.334CS..EExtended strand (participates in β ladder)trans-148.4174.4176.665.7-86.5000111.2F154 F172 E173 V199 P213 V214 V216F154-F205 HydrophobicContact CB-CD2 3.88Å; F154-F205 HydrophobicContact CB-CE2 4.1Å; F154-F205 HydrophobicContact CD1-CB 4.18Å; F154-F205 AromaticContact CD1-CD2 3.78Å; F154-F205 HydrophobicContact CD1-CD2 3.78Å; F154-F205 HydrophobicContact CD1-CE2 4.38Å; F154-F205 AromaticContact CD1-CG 3.95Å; F154-F205 HydrophobicContact CD1-CG 3.95Å; F154-F205 HydrophobicContact CG-CD2 4.24Å; F154-F205 VanDerWaalsContact O-CE2 3.29Å; F154-F205 WeakPolarHBondContact O-CE2 3.4Å; F172-F205 HydrophobicContact CB-CD1 4.27Å; F172-F205 HydrophobicContact CB-CE1 3.54Å; F172-F205 HydrophobicContact CB-CZ 3.77Å; F172-F205 HydrophobicContact CG-CE1 4.28Å; E173-F205 HydrophobicContact CG-CE2 4.41Å; E173-F205 HydrophobicContact CG-CZ 3.61Å; V199-F205 HydrophobicContact CG1-CD1 4.17Å; V199-F205 HydrophobicContact CG2-CB 3.59Å; V199-F205 HydrophobicContact CG2-CD1 4.47Å; V199-F205 HydrophobicContact CG2-CG 4.34Å; F205-P213 CarbonylContact O-C 3.58Å; F205-P213 WeakPolarHBondContact O-CA 3.46Å; F205-V214 HydrophobicContact CE1-CB 4.15Å; F205-V214 HydrophobicContact CE1-CG1 4.14Å; F205-V214 HydrophobicContact CE2-CB 4.15Å; F205-V214 HydrophobicContact CE2-CG2 4.48Å; F205-V214 HydrophobicContact CZ-CB 3.92Å; F205-V214 HydrophobicContact CZ-CG1 3.91Å; F205-V214 PolarHBondContact N-O 2.96Å; F205-V214 PolarHBondContact O-N 3.43Å; F205-V216 HydrophobicContact CD1-CG2 4.05Å; F205-V216 HydrophobicContact CE1-CB 4.42Å; F205-V216 HydrophobicContact CE1-CG1 3.73Å; F205-V216 HydrophobicContact CE1-CG2 3.75Å; F205-V216 HydrophobicContact CZ-CG1 4.46Å
206Y93.6Very high92.5Very high115 Ų11561.4 Ų61.445%0.45132%0.324SS..EExtended strand (participates in β ladder)trans-115.2137.1174.3-61-93.8000108.8Y211 P213Y206-Y211 VanDerWaalsContact CE1-O 3.32Å; Y206-Y211 WeakPolarHBondContact CE1-O 3.4Å; Y206-P213 HydrophobicContact CE1-CB 3.93Å; Y206-P213 HydrophobicContact CE1-CG 4.43Å
207R94.2Very high92.4Very high48 Ų4865.8 Ų65.818%0.18135%0.347CS..  trans-59.6153.7168.8-59.6-163.3-173.197.14.1109.7E157 E173 G209 G210 V214E157-R207 HydrophobicContact CG-CB 4.2Å; E157-R207 WeakPolarHBondContact OE1-CD 3.47Å; E157-R207 IonicContact OE1-CZ 2.71Å; E157-R207 IonicContact OE1-NH1 3.61Å; E157-R207 PolarHBondContact OE1-NH1 2.91Å; E173-R207 IonicContact OE1-CZ 2.77Å; E173-R207 IonicContact OE1-NE 2.62Å; E173-R207 PolarHBondContact OE1-NE 3.04Å; E173-R207 IonicContact OE1-NH2 3.37Å; E173-R207 PolarHBondContact OE1-NH2 3.32Å; E173-R207 IonicContact OE2-CZ 3.91Å; E173-R207 IonicContact OE2-NE 3.04Å; E173-R207 IonicContact OE2-NH2 3.87Å; E173-R207 PolarHBondContact OE2-NH2 2.65Å; R207-G209 PolarHBondContact O-N 3.33Å; R207-G210 PolarHBondContact O-N 3.42Å; R207-V214 HydrophobicContact CG-CG2 4.32Å
208V92.6Very high92.4Very high19 Ų1965.2 Ų65.212%0.11535%0.346CS..BIsolated β-bridgetrans-60.1124.7173.3-173.40000108.8E150 G155 H156 E157 A160 G210E150-V208 HydrophobicContact CB-CG2 4.48Å; E150-V208 HydrophobicContact CG-CG2 3.79Å; G155-V208 WeakPolarHBondContact O-CG2 3.39Å; G155-V208 PolarHBondContact O-N 3.03Å; H156-V208 WeakPolarHBondContact CA-O 3.43Å; H156-V208 HydrophobicContact CB-CB 4.08Å; E157-V208 PolarHBondContact N-O 3.49Å; A160-V208 HydrophobicContact CB-CB 4.35Å; A160-V208 HydrophobicContact CB-CG1 4.06Å; A160-V208 VanDerWaalsContact CB-O 3.23Å; A160-V208 WeakPolarHBondContact CB-O 3.43Å; V208-G210 PolarHBondContact O-N 3.34Å
209G90.8Very high92.6Very high46 Ų4657.8 Ų57.847%0.47432%0.317SS..THydrogen-bonded Turntrans75.80.1-173.900000115.5R207R207-G209 PolarHBondContact O-N 3.33Å
210G90Very high92.8Very high15 Ų1557.6 Ų57.616%0.15532%0.316CS..  trans-93.3152.7-18000000113.8R207 V208R207-G210 PolarHBondContact O-N 3.42Å; V208-G210 PolarHBondContact O-N 3.34Å
211Y89.3Confident93Very high216 Ų21656.1 Ų56.185%0.84731%0.309SS*.  trans-113.8-14179.3-51.3-87000113.1Y206Y206-Y211 VanDerWaalsContact CE1-O 3.32Å; Y206-Y211 WeakPolarHBondContact CE1-O 3.4Å
212A91.6Very high93.4Very high63 Ų6353.2 Ų53.252%0.52129%0.285SS..SBendtrans-89.2128.7178.100000110.1
213P93.3Very high93.8Very high66 Ų6648.2 Ų48.243%0.42926%0.258SS..EExtended strand (participates in β ladder)trans-71.4135.7175.729.4-33.2000110.5F205 Y206F205-P213 CarbonylContact O-C 3.58Å; F205-P213 WeakPolarHBondContact O-CA 3.46Å; Y206-P213 HydrophobicContact CE1-CB 3.93Å; Y206-P213 HydrophobicContact CE1-CG 4.43Å
214V93.7Very high94Very high22 Ų2246.9 Ų46.913%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-104.4117.5172.9-174.90000107.6E173 Q204 F205 R207 V216E173-V214 HydrophobicContact CG-CG1 4.02Å; Q204-V214 CarbonylContact C-O 3.54Å; Q204-V214 WeakPolarHBondContact CA-O 3.07Å; F205-V214 HydrophobicContact CE1-CB 4.15Å; F205-V214 HydrophobicContact CE1-CG1 4.14Å; F205-V214 HydrophobicContact CE2-CB 4.15Å; F205-V214 HydrophobicContact CE2-CG2 4.48Å; F205-V214 HydrophobicContact CZ-CB 3.92Å; F205-V214 HydrophobicContact CZ-CG1 3.91Å; F205-V214 PolarHBondContact N-O 2.96Å; F205-V214 PolarHBondContact O-N 3.43Å; R207-V214 HydrophobicContact CG-CG2 4.32Å; V214-V216 HydrophobicContact CG1-CG1 4.21Å
215K95.3Very high94Very high162 Ų16248.7 Ų48.770%0.70425%0.252SS*.EExtended strand (participates in β ladder)trans-88.6135.6175.5-68.9-173.4176.2-1750109.8G203 Q204G203-K215 WeakPolarHBondContact O-CA 3.34Å; Q204-K215 HydrophobicContact CB-CG 4.04Å
216V94.5Very high94Very high16 Ų1649.3 Ų49.310%0.09726%0.255CS..  trans-142.8147.4178.2-64.20000110.8F172 D176 V199 G203 F205 V214 V218F172-V216 HydrophobicContact CD1-CG2 4.07Å; D176-V216 HydrophobicContact CB-CB 4.45Å; D176-V216 HydrophobicContact CB-CG1 4.25Å; D176-V216 WeakPolarHBondContact OD1-CA 3.48Å; V199-V216 HydrophobicContact CG1-CG2 4.36Å; G203-V216 PolarHBondContact O-N 3.49Å; G203-V216 VanDerWaalsContact O-O 3.13Å; F205-V216 HydrophobicContact CD1-CG2 4.05Å; F205-V216 HydrophobicContact CE1-CB 4.42Å; F205-V216 HydrophobicContact CE1-CG1 3.73Å; F205-V216 HydrophobicContact CE1-CG2 3.75Å; F205-V216 HydrophobicContact CZ-CG1 4.46Å; V214-V216 HydrophobicContact CG1-CG1 4.21Å; V216-V218 HydrophobicContact CB-CG2 3.91Å; V216-V218 HydrophobicContact CG2-CG2 3.94Å
217D94.1Very high94Very high92 Ų9247.8 Ų47.849%0.49226%0.255SS..  trans-115.392.9172.3173.323.2000109.8R131 D176 G177R131-D217 IonicContact CZ-OD1 3.38Å; R131-D217 IonicContact CZ-OD2 3.64Å; R131-D217 PolarHBondContact NH1-O 3.04Å; R131-D217 IonicContact NH1-OD1 3.21Å; R131-D217 IonicContact NH1-OD2 2.7Å; R131-D217 PolarHBondContact NH1-OD2 2.9Å; R131-D217 IonicContact NH2-OD1 2.69Å; R131-D217 PolarHBondContact NH2-OD1 3.44Å; R131-D217 IonicContact NH2-OD2 3.96Å; R131-D217 PolarHBondContact NH2-OD2 3.42Å; D176-D217 PolarHBondContact OD1-N 3.33Å; G177-D217 WeakPolarHBondContact CA-O 3.32Å; G177-D217 PolarHBondContact N-O 3.48Å
218V94.5Very high94Very high25 Ų2545.5 Ų45.515%0.15225%0.246CC..  trans-121.6128.3-172.7-173.60000110.7F172 A175 L180 V216 I220F172-V218 HydrophobicContact CD1-CB 4.37Å; F172-V218 HydrophobicContact CD1-CG2 4.09Å; A175-V218 HydrophobicContact CB-CG1 3.81Å; A175-V218 HydrophobicContact CB-CG2 4.26Å; L180-V218 HydrophobicContact CB-CG1 3.46Å; L180-V218 VanDerWaalsContact CB-CG1 3.46Å; V216-V218 HydrophobicContact CB-CG2 3.91Å; V216-V218 HydrophobicContact CG2-CG2 3.94Å; V218-I220 HydrophobicContact CB-CD1 4.47Å; V218-I220 HydrophobicContact CG1-CD1 3.91Å
219R94.8Very high94.1Very high4 Ų447.3 Ų47.32%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-76131.3166.3177.1-179.5-171.7-163.41110S105 I106 L125 G178 T179 L180S105-R219 WeakPolarHBondContact O-CG 3.42Å; I106-R219 PolarHBondContact O-NE 2.91Å; L125-R219 PolarHBondContact O-NH1 3.5Å; G178-R219 PolarHBondContact O-N 3.39Å; G178-R219 VanDerWaalsContact O-N 3.08Å; T179-R219 CarbonylContact C-O 3.54Å; T179-R219 VanDerWaalsContact CA-O 3.29Å; T179-R219 WeakPolarHBondContact CA-O 3.18Å; T179-R219 HydrophobicContact CG2-CB 4.37Å; T179-R219 HydrophobicContact CG2-CG 4.32Å; L180-R219 PolarHBondContact N-O 2.97Å
220I95.2Very high94.3Very high6 Ų649.8 Ų49.83%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-102.9125.8178.1-56.9-57.1000111.6S107 V108 F172 L180 L182 L200 V218 L245S107-I220 WeakPolarHBondContact CA-O 3.25Å; S107-I220 WeakPolarHBondContact CB-O 3.4Å; S107-I220 PolarHBondContact OG-O 2.95Å; V108-I220 PolarHBondContact N-O 3.11Å; F172-I220 HydrophobicContact CE1-CD1 3.89Å; F172-I220 HydrophobicContact CZ-CD1 4.13Å; L180-I220 HydrophobicContact CB-CD1 3.84Å; L180-I220 HydrophobicContact CD2-CD1 3.99Å; L180-I220 HydrophobicContact CG-CD1 4.34Å; L182-I220 HydrophobicContact CD1-CG2 4.19Å; L200-I220 HydrophobicContact CD2-CB 4.36Å; L200-I220 HydrophobicContact CD2-CD1 4.48Å; L200-I220 HydrophobicContact CD2-CG1 3.54Å; V218-I220 HydrophobicContact CB-CD1 4.47Å; V218-I220 HydrophobicContact CG1-CD1 3.91Å; I220-L245 HydrophobicContact CG2-CD2 3.76Å
221I96.9Very high94.5Very high0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-116124.3165.4-58.1176.8000106.5V108 I110 A122 L125 T179 L180 F181 L182V108-I221 WeakPolarHBondContact O-CA 3.37Å; I110-I221 HydrophobicContact CD1-CG2 3.58Å; I110-I221 HydrophobicContact CG1-CG2 4.16Å; A122-I221 HydrophobicContact CB-CG2 3.94Å; L125-I221 HydrophobicContact CB-CD1 3.67Å; L125-I221 HydrophobicContact CD1-CD1 4.18Å; L125-I221 HydrophobicContact CD1-CG2 4.34Å; T179-I221 HydrophobicContact CG2-CD1 3.64Å; T179-I221 HydrophobicContact CG2-CG1 3.85Å; L180-I221 PolarHBondContact O-N 3.36Å; F181-I221 CarbonylContact C-O 3.56Å; F181-I221 VanDerWaalsContact CA-O 3.29Å; F181-I221 WeakPolarHBondContact CA-O 3.34Å; F181-I221 HydrophobicContact CD2-CB 4.1Å; F181-I221 HydrophobicContact CD2-CG2 3.84Å; F181-I221 WeakPolarHBondContact CD2-O 3.04Å; F181-I221 HydrophobicContact CE2-CG2 4.24Å; L182-I221 PolarHBondContact N-O 3.46Å
222A97.5Very high94.8Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-112.1145.9177.400000110V108 L109 I110 L182 I185 L245V108-A222 PolarHBondContact O-N 2.81Å; L109-A222 CarbonylContact C-O 3.44Å; L109-A222 WeakPolarHBondContact CA-O 3.47Å; L109-A222 HydrophobicContact CD1-CB 3.9Å; I110-A222 PolarHBondContact N-O 3.43Å; L182-A222 CarbonylContact O-C 3.56Å; L182-A222 WeakPolarHBondContact O-CA 3.2Å; I185-A222 HydrophobicContact CB-CB 4.27Å; I185-A222 HydrophobicContact CG1-CB 4.41Å; I185-A222 HydrophobicContact CG2-CB 4.17Å; A222-L245 HydrophobicContact CB-CD1 4.35Å; A222-L245 HydrophobicContact CB-CD2 4.42Å
223A97.5Very high95Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-131.2149.2174.700000111.9I110 K118 F181 L182 D183 E184 I185I110-A223 HydrophobicContact CB-CB 4.1Å; I110-A223 CarbonylContact O-C 3.51Å; I110-A223 VanDerWaalsContact O-CA 3.25Å; I110-A223 WeakPolarHBondContact O-CA 3.44Å; K118-A223 HydrophobicContact CB-CB 4.05Å; K118-A223 HydrophobicContact CD-CB 3.96Å; F181-A223 HydrophobicContact CE2-CB 3.48Å; F181-A223 VanDerWaalsContact CE2-CB 3.48Å; F181-A223 HydrophobicContact CZ-CB 3.65Å; L182-A223 PolarHBondContact O-N 3.11Å; D183-A223 WeakPolarHBondContact OD1-CB 3.22Å; E184-A223 CarbonylContact C-O 3.59Å; E184-A223 VanDerWaalsContact CA-O 3.3Å; E184-A223 WeakPolarHBondContact CA-O 3.45Å; E184-A223 PolarHBondContact N-O 2.87Å; I185-A223 PolarHBondContact N-O 3.22Å
224T97Very high95.1Very high0 Ų048.9 Ų48.90%024%0.235CC..EExtended strand (participates in β ladder)trans-158.9144.9177-1780000111.7L109 I110 N111 G112 I185 Q226 L228L109-T224 HydrophobicContact CD1-CG2 4.31Å; I110-T224 PolarHBondContact O-N 3.43Å; N111-T224 WeakPolarHBondContact CA-O 3.45Å; G112-T224 PolarHBondContact N-O 2.94Å; I185-T224 HydrophobicContact CG2-CG2 4.41Å; T224-Q226 WeakPolarHBondContact OG1-CB 3.38Å; T224-Q226 PolarHBondContact OG1-N 3.17Å; T224-L228 HydrophobicContact CG2-CD1 3.97Å; T224-L228 HydrophobicContact CG2-CD2 4.34Å; T224-L228 HydrophobicContact CG2-CG 3.9Å
225H94.5Very high95.1Very high97 Ų9750.1 Ų50.145%0.44925%0.252SS..SBendtrans-89.6-10.2164.971.5-79.5000113.6G112 E184G112-H225 WeakPolarHBondContact O-CA 3.46Å; G112-H225 WeakPolarHBondContact O-CB 3.39Å; E184-H225 VanDerWaalsContact CD-ND1 3.29Å; E184-H225 IonicContact OE1-ND1 2.72Å; E184-H225 PolarHBondContact OE1-ND1 3.2Å; E184-H225 IonicContact OE2-CE1 2.92Å; E184-H225 IonicContact OE2-CG 3.44Å; E184-H225 PolarHBondContact OE2-N 3.18Å; E184-H225 IonicContact OE2-ND1 2.9Å; E184-H225 PolarHBondContact OE2-ND1 3.43Å
226Q93.6Very high95.1Very high23 Ų2347.5 Ų47.511%0.10724%0.241CC..SBendtrans-89.5153-173.5-5217313.200111.3D187 T224 L228D187-Q226 PolarHBondContact OD1-NE2 3.21Å; D187-Q226 PolarHBondContact OD2-NE2 3.23Å; T224-Q226 WeakPolarHBondContact OG1-CB 3.38Å; T224-Q226 PolarHBondContact OG1-N 3.17Å; Q226-L228 PolarHBondContact O-N 2.81Å
227N94Very high95.2Very high84 Ų8447 Ų4745%0.44924%0.237SC..  trans-75.8101.3169.1-174.2-33.5000109.3E229 Q230 R231N227-E229 VanDerWaalsContact C-N 3.32Å; N227-E229 WeakPolarHBondContact OD1-CB 3.46Å; N227-E229 PolarHBondContact OD1-N 3.13Å; N227-E229 PolarHBondContact OD1-OE2 3.28Å; N227-Q230 HydrophobicContact CB-CB 4.03Å; N227-Q230 PolarHBondContact O-N 3.2Å; N227-Q230 PolarHBondContact OD1-N 2.86Å; N227-R231 WeakPolarHBondContact O-CG 3.48Å; N227-R231 PolarHBondContact O-N 3.12Å
228L93.8Very high95.3Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-69.4-33.1-177.4-68.8-175.2000111.9L109 I185 T224 Q226 Q230 R231 V232 F237 F242L109-L228 HydrophobicContact CD1-CD1 4.05Å; L109-L228 HydrophobicContact CD2-CD1 4Å; I185-L228 HydrophobicContact CG2-CD1 4.18Å; T224-L228 HydrophobicContact CG2-CD1 3.97Å; T224-L228 HydrophobicContact CG2-CD2 4.34Å; T224-L228 HydrophobicContact CG2-CG 3.9Å; Q226-L228 PolarHBondContact O-N 2.81Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 2.68Å; L228-R231 CarbonylContact O-C 3.54Å; L228-R231 PolarHBondContact O-N 2.77Å; L228-R231 VanDerWaalsContact O-N 3.13Å; L228-V232 VanDerWaalsContact O-CG2 3.3Å; L228-V232 WeakPolarHBondContact O-CG2 3.23Å; L228-V232 PolarHBondContact O-N 3.43Å; L228-F237 HydrophobicContact CD1-CE1 4.43Å; L228-F237 HydrophobicContact CD1-CZ 4.37Å; L228-F237 HydrophobicContact CD2-CD2 4.08Å; L228-F237 HydrophobicContact CD2-CE2 4.23Å; L228-F237 HydrophobicContact CD2-CG 4.3Å; L228-F242 HydrophobicContact CB-CD2 3.83Å; L228-F242 HydrophobicContact CB-CE2 3.92Å; L228-F242 HydrophobicContact CD1-CD2 4.03Å; L228-F242 HydrophobicContact CD1-CE2 4.39Å
229E94Very high95.4Very high57 Ų5751.4 Ų51.427%0.26625%0.25SC..Hα-helixtrans-59.7-43.5175.9-61.988153.700110.8N227 V232 Q233 F242 R249N227-E229 VanDerWaalsContact C-N 3.32Å; N227-E229 WeakPolarHBondContact OD1-CB 3.46Å; N227-E229 PolarHBondContact OD1-N 3.13Å; N227-E229 PolarHBondContact OD1-OE2 3.28Å; E229-V232 PolarHBondContact O-N 2.92Å; E229-Q233 WeakPolarHBondContact O-CG 3.12Å; E229-Q233 PolarHBondContact O-N 3.17Å; E229-Q233 VanDerWaalsContact O-N 3.11Å; E229-F242 HydrophobicContact CG-CE1 4.15Å; E229-F242 HydrophobicContact CG-CE2 4.41Å; E229-F242 HydrophobicContact CG-CZ 3.71Å; E229-R249 IonicContact OE1-CZ 3.41Å; E229-R249 IonicContact OE1-NH1 2.95Å; E229-R249 PolarHBondContact OE1-NH1 3.13Å; E229-R249 IonicContact OE1-NH2 2.89Å; E229-R249 PolarHBondContact OE1-NH2 3.04Å; E229-R249 IonicContact OE2-NH2 3.17Å
230Q95.6Very high95.4Very high97 Ų9754.2 Ų54.245%0.45327%0.265SS..Hα-helixtrans-65.5-43.3172.1-175.1-178.5-1300111.8N227 L228 V232 Q233 E234N227-Q230 HydrophobicContact CB-CB 4.03Å; N227-Q230 PolarHBondContact O-N 3.2Å; N227-Q230 PolarHBondContact OD1-N 2.86Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 2.68Å; Q230-V232 PolarHBondContact O-N 3.31Å; Q230-Q233 WeakPolarHBondContact O-CB 3.31Å; Q230-Q233 PolarHBondContact O-N 2.9Å; Q230-Q233 VanDerWaalsContact O-N 3.13Å; Q230-E234 HydrophobicContact CG-CG 4.5Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.4Å; Q230-E234 PolarHBondContact NE2-OE1 2.81Å; Q230-E234 WeakPolarHBondContact O-CG 3.34Å; Q230-E234 PolarHBondContact O-N 2.94Å
231R94.6Very high95.5Very high54 Ų5453.9 Ų53.920%0.20426%0.264CS..Hα-helixtrans-61.4-31.5176.5-69.5-65.9-147.698.5-3.2112.4G186 D187 N227 L228 G235 K236 F237G186-R231 PolarHBondContact O-NH1 2.96Å; D187-R231 IonicContact OD1-NH2 3.23Å; D187-R231 PolarHBondContact OD1-NH2 2.97Å; N227-R231 WeakPolarHBondContact O-CG 3.48Å; N227-R231 PolarHBondContact O-N 3.12Å; L228-R231 CarbonylContact O-C 3.54Å; L228-R231 PolarHBondContact O-N 2.77Å; L228-R231 VanDerWaalsContact O-N 3.13Å; R231-G235 PolarHBondContact O-N 2.89Å; R231-K236 HydrophobicContact CB-CB 4.49Å; R231-K236 PolarHBondContact O-N 3.19Å; R231-F237 HydrophobicContact CB-CB 3.85Å; R231-F237 PolarHBondContact O-N 3.21Å; R231-F237 VanDerWaalsContact O-N 3.11Å
232V95.6Very high95.4Very high31 Ų3154.7 Ų54.719%0.18827%0.267CS..Hα-helixtrans-67.1-47.5172.7170.10000110.4L228 E229 Q230 E234 G235 F237 E239 F242L228-V232 VanDerWaalsContact O-CG2 3.3Å; L228-V232 WeakPolarHBondContact O-CG2 3.23Å; L228-V232 PolarHBondContact O-N 3.43Å; E229-V232 PolarHBondContact O-N 2.92Å; Q230-V232 PolarHBondContact O-N 3.31Å; V232-E234 PolarHBondContact O-N 2.85Å; V232-G235 PolarHBondContact O-N 3.42Å; V232-F237 WeakPolarHBondContact CA-O 3.38Å; V232-F237 HydrophobicContact CG2-CB 4.09Å; V232-F237 HydrophobicContact CG2-CD1 4.06Å; V232-E239 HydrophobicContact CG1-CB 3.8Å; V232-E239 HydrophobicContact CG1-CG 4.18Å; V232-F242 HydrophobicContact CG2-CB 4.12Å; V232-F242 HydrophobicContact CG2-CG 4.44Å
233Q95.6Very high95.2Very high171 Ų17160.2 Ų60.280%0.79929%0.293SS*.Hα-helixtrans-59.6-35.6176-68.4173.43.500112.5E229 Q230 G235E229-Q233 WeakPolarHBondContact O-CG 3.12Å; E229-Q233 PolarHBondContact O-N 3.17Å; E229-Q233 VanDerWaalsContact O-N 3.11Å; Q230-Q233 WeakPolarHBondContact O-CB 3.31Å; Q230-Q233 PolarHBondContact O-N 2.9Å; Q230-Q233 VanDerWaalsContact O-N 3.13Å; Q233-G235 PolarHBondContact O-N 2.97Å
234E95.5Very high95Very high85 Ų8566.3 Ų66.340%0.39732%0.315SS..THydrogen-bonded Turntrans-77.7-2.2175.8-67.6176.1-168.600113.9Q230 V232 K236Q230-E234 HydrophobicContact CG-CG 4.5Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.4Å; Q230-E234 PolarHBondContact NE2-OE1 2.81Å; Q230-E234 WeakPolarHBondContact O-CG 3.34Å; Q230-E234 PolarHBondContact O-N 2.94Å; V232-E234 PolarHBondContact O-N 2.85Å; E234-K236 HydrophobicContact CB-CD 4.23Å; E234-K236 HydrophobicContact CB-CG 4.21Å; E234-K236 PolarHBondContact O-N 3.46Å; E234-K236 WeakPolarHBondContact OE2-CD 3.28Å; E234-K236 WeakPolarHBondContact OE2-CE 3.41Å; E234-K236 IonicContact OE2-NZ 3.9Å; E234-K236 PolarHBondContact OE2-NZ 3.21Å
235G94.3Very high94.8Very high48 Ų4866.3 Ų66.350%0.49532%0.315SS..THydrogen-bonded Turntrans69.614.4-177.300000114.6R231 V232 Q233R231-G235 PolarHBondContact O-N 2.89Å; V232-G235 PolarHBondContact O-N 3.42Å; Q233-G235 PolarHBondContact O-N 2.97Å
236K94.9Very high94.7Very high108 Ų10863.8 Ų63.847%0.4731%0.305SS..SBendtrans-92.2-12.7-180-65.7176.8-173.6159.40113.1Q193 R231 E234Q193-K236 PolarHBondContact NE2-O 2.93Å; R231-K236 HydrophobicContact CB-CB 4.49Å; R231-K236 PolarHBondContact O-N 3.19Å; E234-K236 HydrophobicContact CB-CD 4.23Å; E234-K236 HydrophobicContact CB-CG 4.21Å; E234-K236 PolarHBondContact O-N 3.46Å; E234-K236 WeakPolarHBondContact OE2-CD 3.28Å; E234-K236 WeakPolarHBondContact OE2-CE 3.41Å; E234-K236 IonicContact OE2-NZ 3.9Å; E234-K236 PolarHBondContact OE2-NZ 3.21Å
237F96.9Very high94.7Very high4 Ų466.4 Ų66.42%0.01832%0.323CS..SBendtrans-136.8138.9175.4-158.9-91.7000109.5I185 L228 R231 V232 L241 F242 L245I185-F237 HydrophobicContact CG1-CE2 4.17Å; I185-F237 HydrophobicContact CG1-CZ 4.22Å; L228-F237 HydrophobicContact CD1-CE1 4.43Å; L228-F237 HydrophobicContact CD1-CZ 4.37Å; L228-F237 HydrophobicContact CD2-CD2 4.08Å; L228-F237 HydrophobicContact CD2-CE2 4.23Å; L228-F237 HydrophobicContact CD2-CG 4.3Å; R231-F237 HydrophobicContact CB-CB 3.85Å; R231-F237 PolarHBondContact O-N 3.21Å; R231-F237 VanDerWaalsContact O-N 3.11Å; V232-F237 WeakPolarHBondContact CA-O 3.38Å; V232-F237 HydrophobicContact CG2-CB 4.09Å; V232-F237 HydrophobicContact CG2-CD1 4.06Å; F237-L241 HydrophobicContact CE1-CB 4.27Å; F237-L241 HydrophobicContact CE1-CD2 4.18Å; F237-L241 HydrophobicContact CE1-CG 4.11Å; F237-L241 HydrophobicContact CE2-CD2 4.34Å; F237-L241 HydrophobicContact CZ-CD2 3.75Å; F237-L241 HydrophobicContact CZ-CG 4.03Å; F237-F242 HydrophobicContact CD1-CB 3.97Å; F237-F242 HydrophobicContact CE1-CB 3.83Å; F237-L245 HydrophobicContact CZ-CD1 4.22Å
238R96.3Very high94.6Very high87 Ų8765.3 Ų65.333%0.32832%0.316SS..  trans-77.8132.8-178.6-57.5177.761.493.810.4111L190 Q193 T194 D240 L241 F242L190-R238 HydrophobicContact CD2-CG 4.06Å; Q193-R238 HydrophobicContact CB-CG 4.3Å; T194-R238 PolarHBondContact OG1-NH1 3.46Å; T194-R238 VanDerWaalsContact OG1-NH1 3.13Å; R238-D240 WeakPolarHBondContact CB-OD1 3.4Å; R238-D240 IonicContact CZ-OD1 3.81Å; R238-D240 IonicContact CZ-OD2 3.02Å; R238-D240 IonicContact NE-OD1 3.81Å; R238-D240 PolarHBondContact NE-OD1 3.45Å; R238-D240 IonicContact NE-OD2 3.32Å; R238-D240 PolarHBondContact NE-OD2 3.08Å; R238-D240 IonicContact NH2-OD1 3.04Å; R238-D240 IonicContact NH2-OD2 3.28Å; R238-D240 PolarHBondContact NH2-OD2 2.86Å; R238-D240 PolarHBondContact O-N 3.13Å; R238-L241 HydrophobicContact CB-CB 4.22Å; R238-L241 PolarHBondContact O-N 2.97Å; R238-F242 PolarHBondContact O-N 3Å
239E96.1Very high94.6Very high124 Ų12470.3 Ų70.358%0.57934%0.335SS*.Hα-helixtrans-60.6-42.7178.5-172.8175.2-169.200112.1V232 L241 F242 H243V232-E239 HydrophobicContact CG1-CB 3.8Å; V232-E239 HydrophobicContact CG1-CG 4.18Å; E239-L241 PolarHBondContact O-N 3.1Å; E239-F242 WeakPolarHBondContact O-CB 3.49Å; E239-F242 PolarHBondContact O-N 3.29Å; E239-H243 PolarHBondContact O-CD2 2.72Å; E239-H243 PolarHBondContact O-N 2.91Å; E239-H243 IonicContact OE1-NE2 2.68Å
240D94.8Very high94.6Very high62 Ų6267.6 Ų67.633%0.33232%0.322SS..Hα-helixtrans-60-44.1178.252.517.1000113.1L197 R238 R244L197-D240 HydrophobicContact CD1-CB 4.36Å; L197-D240 HydrophobicContact CD2-CB 3.98Å; L197-D240 VanDerWaalsContact CD2-OD2 3.23Å; L197-D240 WeakPolarHBondContact CD2-OD2 3.14Å; R238-D240 WeakPolarHBondContact CB-OD1 3.4Å; R238-D240 IonicContact CZ-OD1 3.81Å; R238-D240 IonicContact CZ-OD2 3.02Å; R238-D240 IonicContact NE-OD1 3.81Å; R238-D240 PolarHBondContact NE-OD1 3.45Å; R238-D240 IonicContact NE-OD2 3.32Å; R238-D240 PolarHBondContact NE-OD2 3.08Å; R238-D240 IonicContact NH2-OD1 3.04Å; R238-D240 IonicContact NH2-OD2 3.28Å; R238-D240 PolarHBondContact NH2-OD2 2.86Å; R238-D240 PolarHBondContact O-N 3.13Å; D240-R244 PolarHBondContact O-N 3.11Å; D240-R244 VanDerWaalsContact O-N 3.15Å
241L95.8Very high94.5Very high0 Ų068.1 Ų68.10%033%0.325CS..Hα-helixtrans-66.8-41.1175.3-179.862.6000111.5Q193 L196 L197 L200 F237 R238 E239 H243 R244 L245Q193-L241 HydrophobicContact CB-CD2 3.54Å; Q193-L241 HydrophobicContact CG-CD2 3.62Å; L196-L241 HydrophobicContact CB-CD1 4.49Å; L196-L241 HydrophobicContact CD2-CD1 3.91Å; L196-L241 HydrophobicContact CD2-CD2 4.15Å; L196-L241 HydrophobicContact CG-CD1 3.96Å; L197-L241 HydrophobicContact CB-CD1 4.49Å; L200-L241 HydrophobicContact CD1-CD1 3.7Å; F237-L241 HydrophobicContact CE1-CB 4.27Å; F237-L241 HydrophobicContact CE1-CD2 4.18Å; F237-L241 HydrophobicContact CE1-CG 4.11Å; F237-L241 HydrophobicContact CE2-CD2 4.34Å; F237-L241 HydrophobicContact CZ-CD2 3.75Å; F237-L241 HydrophobicContact CZ-CG 4.03Å; R238-L241 HydrophobicContact CB-CB 4.22Å; R238-L241 PolarHBondContact O-N 2.97Å; E239-L241 PolarHBondContact O-N 3.1Å; L241-H243 PolarHBondContact O-N 3.4Å; L241-R244 PolarHBondContact O-N 2.99Å; L241-L245 HydrophobicContact CD1-CD1 3.92Å; L241-L245 HydrophobicContact CD1-CG 3.98Å; L241-L245 HydrophobicContact CD2-CD1 4.46Å; L241-L245 HydrophobicContact CG-CD1 3.88Å; L241-L245 HydrophobicContact CG-CG 4.33Å; L241-L245 WeakPolarHBondContact O-CG 3.23Å; L241-L245 PolarHBondContact O-N 3.3Å
242F95.3Very high94.5Very high17 Ų1765.7 Ų65.78%0.07532%0.316CS..Hα-helixtrans-57.3-49.9177171.1-110.6000111L109 L228 E229 V232 F237 R238 E239 R244 L245 N246L109-F242 HydrophobicContact CD2-CE2 4.15Å; L228-F242 HydrophobicContact CB-CD2 3.83Å; L228-F242 HydrophobicContact CB-CE2 3.92Å; L228-F242 HydrophobicContact CD1-CD2 4.03Å; L228-F242 HydrophobicContact CD1-CE2 4.39Å; E229-F242 HydrophobicContact CG-CE1 4.15Å; E229-F242 HydrophobicContact CG-CE2 4.41Å; E229-F242 HydrophobicContact CG-CZ 3.71Å; V232-F242 HydrophobicContact CG2-CB 4.12Å; V232-F242 HydrophobicContact CG2-CG 4.44Å; F237-F242 HydrophobicContact CD1-CB 3.97Å; F237-F242 HydrophobicContact CE1-CB 3.83Å; R238-F242 PolarHBondContact O-N 3Å; E239-F242 WeakPolarHBondContact O-CB 3.49Å; E239-F242 PolarHBondContact O-N 3.29Å; F242-R244 VanDerWaalsContact C-N 3.29Å; F242-R244 PolarHBondContact O-N 3.18Å; F242-L245 PolarHBondContact O-N 3.09Å; F242-N246 HydrophobicContact CD2-CB 4.32Å; F242-N246 HydrophobicContact CE2-CB 4.04Å; F242-N246 HydrophobicContact CZ-CB 4.25Å; F242-N246 WeakPolarHBondContact CZ-ND2 3.34Å; F242-N246 WeakPolarHBondContact O-CB 3.36Å; F242-N246 PolarHBondContact O-N 3.09Å
243H93.7Very high94.4Very high116 Ų11664.4 Ų64.454%0.53731%0.308SS..Hα-helixtrans-63.5-33.2177.8-70.6-60.5000113.4E239 L241E239-H243 PolarHBondContact O-CD2 2.72Å; E239-H243 PolarHBondContact O-N 2.91Å; E239-H243 IonicContact OE1-NE2 2.68Å; L241-H243 PolarHBondContact O-N 3.4Å
244R92.6Very high94.4Very high127 Ų12756.4 Ų56.448%0.47927%0.271SS..Hα-helixtrans-73.9-31.7179.3-16762.3170.1-167-1.6113.2L197 L200 D240 L241 F242 V247L197-R244 HydrophobicContact CD1-CB 4.31Å; L200-R244 HydrophobicContact CB-CG 3.81Å; L200-R244 HydrophobicContact CD1-CB 4.21Å; L200-R244 HydrophobicContact CD1-CG 3.7Å; L200-R244 HydrophobicContact CG-CG 4.39Å; L200-R244 PolarHBondContact O-NE 3.11Å; L200-R244 PolarHBondContact O-NH2 3.04Å; D240-R244 PolarHBondContact O-N 3.11Å; D240-R244 VanDerWaalsContact O-N 3.15Å; L241-R244 PolarHBondContact O-N 2.99Å; F242-R244 VanDerWaalsContact C-N 3.29Å; F242-R244 PolarHBondContact O-N 3.18Å; R244-V247 WeakPolarHBondContact O-CG2 3.49Å
245L93.8Very high94.4Very high0 Ų052.4 Ų52.40%025%0.252CS..Hα-helixtrans-83.9-38.5176.8-67.5175.2000112.2I185 L200 I220 A222 F237 L241 F242 V247I185-L245 HydrophobicContact CG1-CD1 3.99Å; L200-L245 HydrophobicContact CD1-CD2 3.8Å; L200-L245 HydrophobicContact CD1-CG 4.29Å; I220-L245 HydrophobicContact CG2-CD2 3.76Å; A222-L245 HydrophobicContact CB-CD1 4.35Å; A222-L245 HydrophobicContact CB-CD2 4.42Å; F237-L245 HydrophobicContact CZ-CD1 4.22Å; L241-L245 HydrophobicContact CD1-CD1 3.92Å; L241-L245 HydrophobicContact CD1-CG 3.98Å; L241-L245 HydrophobicContact CD2-CD1 4.46Å; L241-L245 HydrophobicContact CG-CD1 3.88Å; L241-L245 HydrophobicContact CG-CG 4.33Å; L241-L245 WeakPolarHBondContact O-CG 3.23Å; L241-L245 PolarHBondContact O-N 3.3Å; F242-L245 PolarHBondContact O-N 3.09Å; L245-V247 PolarHBondContact O-N 3.45Å
246N92.4Very high94.3Very high44 Ų4454.4 Ų54.424%0.23525%0.245CC..THydrogen-bonded Turntrans-81.652.7-175.7-167.724.4000112.4L109 F242 R249L109-N246 HydrophobicContact CD2-CB 4Å; F242-N246 HydrophobicContact CD2-CB 4.32Å; F242-N246 HydrophobicContact CE2-CB 4.04Å; F242-N246 HydrophobicContact CZ-CB 4.25Å; F242-N246 WeakPolarHBondContact CZ-ND2 3.34Å; F242-N246 WeakPolarHBondContact O-CB 3.36Å; F242-N246 PolarHBondContact O-N 3.09Å; N246-R249 WeakPolarHBondContact OD1-CB 3.4Å
247V92.2Very high94.1Very high79 Ų7954.6 Ų54.648%0.47925%0.247SC..THydrogen-bonded Turntrans-78.6-45.6175-173.30000110.5I106 R244 L245I106-V247 HydrophobicContact CG2-CB 3.83Å; I106-V247 HydrophobicContact CG2-CG1 3.43Å; I106-V247 VanDerWaalsContact CG2-CG1 3.43Å; R244-V247 WeakPolarHBondContact O-CG2 3.49Å; L245-V247 PolarHBondContact O-N 3.45Å
248I93.3Very high93.9Very high60 Ų6054.7 Ų54.731%0.30825%0.248SC..EExtended strand (participates in β ladder)trans-129.6123.6170.3-58.1-69.3000108.1I97 L101 I106 V108 L109I97-I248 HydrophobicContact CG2-CG2 3.98Å; L101-I248 HydrophobicContact CD1-CG2 4Å; L101-I248 HydrophobicContact CD2-CG1 4.22Å; I106-I248 HydrophobicContact CG2-CG1 4.2Å; V108-I248 WeakPolarHBondContact CA-O 3.3Å; L109-I248 PolarHBondContact N-O 3.37Å
249R93.5Very high93.6Very high105 Ų10555.3 Ų55.340%0.39625%0.25SC..EExtended strand (participates in β ladder)trans-96.7131.1176.9-163.9176.2-173165.27.9110.3L109 N111 E229 N246L109-R249 CarbonylContact O-C 3.59Å; L109-R249 WeakPolarHBondContact O-CA 3.46Å; N111-R249 PolarHBondContact ND2-NH2 3.37Å; N111-R249 VanDerWaalsContact ND2-NH2 3.17Å; N111-R249 WeakPolarHBondContact OD1-CG 3.38Å; N111-R249 PolarHBondContact OD1-NE 2.77Å; E229-R249 IonicContact OE1-CZ 3.41Å; E229-R249 IonicContact OE1-NH1 2.95Å; E229-R249 PolarHBondContact OE1-NH1 3.13Å; E229-R249 IonicContact OE1-NH2 2.89Å; E229-R249 PolarHBondContact OE1-NH2 3.04Å; E229-R249 IonicContact OE2-NH2 3.17Å; N246-R249 WeakPolarHBondContact OD1-CB 3.4Å
250V93.6Very high93.2Very high0 Ų055.2 Ų55.20%025%0.25CC..EExtended strand (participates in β ladder)trans-115.9115.5170.4-179.20000107.8V94 I97 V108 L109 I110 N111 V121 L252V94-V250 HydrophobicContact CG1-CG1 3.96Å; V94-V250 HydrophobicContact CG2-CG1 4.36Å; I97-V250 HydrophobicContact CB-CG2 4.34Å; I97-V250 HydrophobicContact CD1-CG2 4.34Å; I97-V250 HydrophobicContact CG2-CG2 3.62Å; V108-V250 HydrophobicContact CG1-CB 4.45Å; V108-V250 HydrophobicContact CG1-CG2 3.67Å; L109-V250 PolarHBondContact O-N 3.21Å; I110-V250 CarbonylContact C-O 3.51Å; I110-V250 WeakPolarHBondContact CA-O 3.34Å; N111-V250 PolarHBondContact N-O 3.03Å; V121-V250 HydrophobicContact CG1-CG1 4.32Å; V250-L252 HydrophobicContact CG1-CD1 4.26Å
251H94.1Very high92.9Very high109 Ų10952.3 Ų52.351%0.50523%0.234SC..EExtended strand (participates in β ladder)trans-93122.5174.1-176.560.8000109.7V94 N111V94-H251 WeakPolarHBondContact CG2-O 2.83Å; N111-H251 CarbonylContact O-C 3.27Å; N111-H251 WeakPolarHBondContact O-CA 3.36Å
252L94.7Very high92.8Very high2 Ų252.3 Ų52.31%0.0123%0.234CC..PPolyproline II helixtrans-91.4121.5170.2-81.983.3000109.4I110 N111 T116 V121 V250I110-L252 HydrophobicContact CG2-CD1 3.17Å; N111-L252 PolarHBondContact O-N 2.88Å; T116-L252 WeakPolarHBondContact O-CD2 3.32Å; V121-L252 HydrophobicContact CB-CD1 4.46Å; V121-L252 HydrophobicContact CG2-CD1 4.08Å; V121-L252 HydrophobicContact CG2-CD2 3.86Å; V121-L252 HydrophobicContact CG2-CG 4.2Å; V250-L252 HydrophobicContact CG1-CD1 4.26Å
253P93.4Very high92.6Very high4 Ų452.6 Ų52.63%0.02624%0.238CC..PPolyproline II helixtrans-67.8140.5176.529.7-36.1000110.7A90 M91 E257 R258A90-P253 HydrophobicContact CB-CB 3.96Å; A90-P253 HydrophobicContact CB-CG 3.71Å; M91-P253 HydrophobicContact SD-CG 4.19Å; P253-E257 HydrophobicContact CB-CB 4.27Å; P253-R258 HydrophobicContact CG-CG 4.4Å; P253-R258 PolarHBondContact O-NE 3.08Å; P253-R258 VanDerWaalsContact O-NE 3.13Å; P253-R258 PolarHBondContact O-NH2 3.39Å
254P95.4Very high92.3Very high4 Ų452 Ų523%0.02623%0.231CC..PPolyproline II helixtrans-62.2154.6169.730.4-36000110.5E113 R256 E257 R258 N300E113-P254 WeakPolarHBondContact OE2-CB 3.43Å; P254-R256 HydrophobicContact CB-CG 4.15Å; P254-R256 HydrophobicContact CG-CG 4.05Å; P254-R256 PolarHBondContact O-N 2.76Å; P254-R256 VanDerWaalsContact O-N 3.11Å; P254-E257 WeakPolarHBondContact CD-OE2 3.36Å; P254-E257 HydrophobicContact CG-CB 4.22Å; P254-E257 VanDerWaalsContact CG-CD 3.47Å; P254-E257 HydrophobicContact CG-CG 3.88Å; P254-E257 VanDerWaalsContact CG-OE1 3.26Å; P254-E257 WeakPolarHBondContact CG-OE1 3.48Å; P254-E257 PolarHBondContact O-N 3.14Å; P254-R258 WeakPolarHBondContact O-CG 3.37Å; P254-N300 WeakPolarHBondContact CA-OD1 3.11Å; P254-N300 WeakPolarHBondContact CB-OD1 3.28Å
255L94.7Very high92.3Very high0 Ų046.4 Ų46.40%021%0.21CC..G310 helixtrans-59.3-30.8-172.9-172.757.3000112.4E257 R258 R259 I262 L265 W297 N300 V301 L304L255-E257 PolarHBondContact O-N 3.25Å; L255-R258 HydrophobicContact CD1-CG 4.3Å; L255-R258 CarbonylContact O-C 3.57Å; L255-R258 VanDerWaalsContact O-C 3.32Å; L255-R258 PolarHBondContact O-N 2.88Å; L255-R258 VanDerWaalsContact O-N 3.15Å; L255-R259 PolarHBondContact O-N 3.49Å; L255-I262 HydrophobicContact CD1-CD1 4.49Å; L255-I262 HydrophobicContact CD1-CG1 3.7Å; L255-I262 HydrophobicContact CD2-CG1 4.18Å; L255-I262 HydrophobicContact CG-CD1 4.14Å; L255-I262 HydrophobicContact CG-CG1 3.81Å; L255-L265 HydrophobicContact CD1-CD1 3.82Å; L255-W297 HydrophobicContact CB-CB 4.18Å; L255-W297 HydrophobicContact CD2-CB 3.84Å; L255-W297 HydrophobicContact CD2-CD2 4.19Å; L255-W297 HydrophobicContact CD2-CG 3.68Å; L255-W297 HydrophobicContact CG-CB 4.31Å; L255-W297 HydrophobicContact CG-CG 4.33Å; L255-N300 HydrophobicContact CB-CB 4.36Å; L255-N300 PolarHBondContact N-OD1 2.84Å; L255-V301 HydrophobicContact CD1-CG2 4.36Å; L255-L304 HydrophobicContact CD2-CB 4.14Å; L255-L304 HydrophobicContact CD2-CD2 4.08Å
256R93.2Very high92.3Very high91 Ų9146.4 Ų46.434%0.34321%0.21SC..G310 helixtrans-64.7-19.6175.567.6-175.5178.4-91.1-3115.3E113 P254 R259E113-R256 VanDerWaalsContact CD-NH1 3.29Å; E113-R256 IonicContact OE1-CZ 3.87Å; E113-R256 VanDerWaalsContact OE1-CZ 3.23Å; E113-R256 IonicContact OE1-NH1 3.94Å; E113-R256 PolarHBondContact OE1-NH1 2.85Å; E113-R256 IonicContact OE1-NH2 3.92Å; E113-R256 PolarHBondContact OE1-NH2 3Å; E113-R256 IonicContact OE2-CZ 3.29Å; E113-R256 IonicContact OE2-NH1 2.68Å; E113-R256 PolarHBondContact OE2-NH1 3.31Å; P254-R256 HydrophobicContact CB-CG 4.15Å; P254-R256 HydrophobicContact CG-CG 4.05Å; P254-R256 PolarHBondContact O-N 2.76Å; P254-R256 VanDerWaalsContact O-N 3.11Å; R256-R259 VanDerWaalsContact O-CG 3.32Å; R256-R259 WeakPolarHBondContact O-CG 3.46Å; R256-R259 PolarHBondContact O-NE 2.62Å
257E91Very high92.2Very high111 Ų11150.2 Ų50.252%0.51922%0.221SC..G310 helixtrans-96.8-5.2177.1-72.8172.1-149.300112.6P253 P254 L255P253-E257 HydrophobicContact CB-CB 4.27Å; P254-E257 WeakPolarHBondContact CD-OE2 3.36Å; P254-E257 HydrophobicContact CG-CB 4.22Å; P254-E257 VanDerWaalsContact CG-CD 3.47Å; P254-E257 HydrophobicContact CG-CG 3.88Å; P254-E257 VanDerWaalsContact CG-OE1 3.26Å; P254-E257 WeakPolarHBondContact CG-OE1 3.48Å; P254-E257 PolarHBondContact O-N 3.14Å; L255-E257 PolarHBondContact O-N 3.25Å
258R91.1Very high92.2Very high7 Ų750 Ų503%0.02622%0.215CC..  trans-133.752.8177.150.4165.2165.7167-1.9110.3A88 M91 T116 P253 P254 L255 E260 D261A88-R258 HydrophobicContact CB-CB 3.41Å; A88-R258 VanDerWaalsContact CB-CB 3.41Å; M91-R258 PolarHBondContact SD-NH1 3.34Å; T116-R258 PolarHBondContact O-NH2 3.29Å; P253-R258 HydrophobicContact CG-CG 4.4Å; P253-R258 PolarHBondContact O-NE 3.08Å; P253-R258 VanDerWaalsContact O-NE 3.13Å; P253-R258 PolarHBondContact O-NH2 3.39Å; P254-R258 WeakPolarHBondContact O-CG 3.37Å; L255-R258 HydrophobicContact CD1-CG 4.3Å; L255-R258 CarbonylContact O-C 3.57Å; L255-R258 VanDerWaalsContact O-C 3.32Å; L255-R258 PolarHBondContact O-N 2.88Å; L255-R258 VanDerWaalsContact O-N 3.15Å; R258-E260 PolarHBondContact O-N 2.87Å; R258-D261 VanDerWaalsContact CD-OD2 3.3Å; R258-D261 WeakPolarHBondContact CD-OD2 3.29Å; R258-D261 WeakPolarHBondContact O-CB 3.31Å; R258-D261 PolarHBondContact O-N 3.3Å
259R91.5Very high92.2Very high99 Ų9948.2 Ų48.237%0.37421%0.205SC..G310 helixtrans-64.2-25.7-173.9-65178.7-179.6-140.5-1.6112.2L255 R256 D261 I262 T293 R294L255-R259 PolarHBondContact O-N 3.49Å; R256-R259 VanDerWaalsContact O-CG 3.32Å; R256-R259 WeakPolarHBondContact O-CG 3.46Å; R256-R259 PolarHBondContact O-NE 2.62Å; R259-D261 PolarHBondContact O-N 3.3Å; R259-I262 HydrophobicContact CB-CD1 4.07Å; R259-I262 HydrophobicContact CG-CD1 4.15Å; R259-I262 WeakPolarHBondContact O-CB 3.41Å; R259-I262 WeakPolarHBondContact O-CG1 3.43Å; R259-I262 PolarHBondContact O-N 2.87Å; R259-I262 VanDerWaalsContact O-N 3.07Å; R259-T293 HydrophobicContact CB-CG2 4.02Å; R259-T293 WeakPolarHBondContact CD-O 3.03Å; R259-R294 PolarHBondContact NH1-O 2.82Å
260E87.6Confident92Very high122 Ų12243.3 Ų43.357%0.5719%0.187SC*.G310 helixtrans-58.4-27174.7-56.782.5178.600112.2A88 R258A88-E260 HydrophobicContact CB-CB 4.49Å; R258-E260 PolarHBondContact O-N 2.87Å
261D88.2Confident91.9Very high1 Ų147.8 Ų47.81%0.00521%0.207CC..G310 helixtrans-79.3-22.2178.9-65.2-17.6000112.7G86 E87 A88 M91 R258 R259 R264 L265G86-D261 WeakPolarHBondContact CA-OD1 3.41Å; G86-D261 WeakPolarHBondContact CA-OD2 3.28Å; E87-D261 PolarHBondContact N-OD1 3.22Å; A88-D261 PolarHBondContact N-OD1 2.86Å; M91-D261 WeakPolarHBondContact CG-OD2 3.47Å; R258-D261 VanDerWaalsContact CD-OD2 3.3Å; R258-D261 WeakPolarHBondContact CD-OD2 3.29Å; R258-D261 WeakPolarHBondContact O-CB 3.31Å; R258-D261 PolarHBondContact O-N 3.3Å; R259-D261 PolarHBondContact O-N 3.3Å; D261-R264 PolarHBondContact O-N 3.3Å; D261-L265 HydrophobicContact CB-CD1 3.84Å; D261-L265 HydrophobicContact CB-CG 4.35Å; D261-L265 WeakPolarHBondContact O-CB 3.4Å; D261-L265 VanDerWaalsContact O-CG 3.32Å; D261-L265 WeakPolarHBondContact O-CG 3.08Å; D261-L265 PolarHBondContact O-N 2.87Å
262I93.6Very high91.6Very high0 Ų044.4 Ų44.40%019%0.194CC..Hα-helixtrans-58.1-48.5-170.9-65.2168.4000112.1L255 R259 R264 L265 A266 L292 L304L255-I262 HydrophobicContact CD1-CD1 4.49Å; L255-I262 HydrophobicContact CD1-CG1 3.7Å; L255-I262 HydrophobicContact CD2-CG1 4.18Å; L255-I262 HydrophobicContact CG-CD1 4.14Å; L255-I262 HydrophobicContact CG-CG1 3.81Å; R259-I262 HydrophobicContact CB-CD1 4.07Å; R259-I262 HydrophobicContact CG-CD1 4.15Å; R259-I262 WeakPolarHBondContact O-CB 3.41Å; R259-I262 WeakPolarHBondContact O-CG1 3.43Å; R259-I262 PolarHBondContact O-N 2.87Å; R259-I262 VanDerWaalsContact O-N 3.07Å; I262-R264 VanDerWaalsContact C-N 3.35Å; I262-R264 PolarHBondContact O-N 2.84Å; I262-L265 PolarHBondContact O-N 2.86Å; I262-A266 VanDerWaalsContact O-CB 3.25Å; I262-A266 WeakPolarHBondContact O-CB 3.09Å; I262-A266 PolarHBondContact O-N 3.42Å; I262-L292 HydrophobicContact CG2-CB 4.1Å; I262-L304 HydrophobicContact CG2-CD2 4.33Å
263P90.5Very high91.4Very high24 Ų2444.3 Ų44.316%0.15619%0.194CC..Hα-helixtrans-57.2-45.1177.8-2938.2000113.3A266 R267 E289P263-A266 PolarHBondContact O-N 3.25Å; P263-R267 VanDerWaalsContact O-CG 3.31Å; P263-R267 WeakPolarHBondContact O-CG 3.39Å; P263-R267 PolarHBondContact O-N 3.37Å; P263-R267 VanDerWaalsContact O-N 3.1Å; P263-E289 HydrophobicContact CB-CG 3.89Å; P263-E289 HydrophobicContact CG-CG 4.07Å
264R88.5Confident91Very high104 Ų10444.2 Ų44.239%0.39219%0.194SC..Hα-helixtrans-69.9-41.7-177.7-168.9174.3171.9174.1-5.1111.2I85 E87 D261 I262 H268I85-R264 HydrophobicContact CG2-CB 4.19Å; I85-R264 HydrophobicContact CG2-CG 3.74Å; E87-R264 IonicContact OE1-CZ 3.43Å; E87-R264 IonicContact OE1-NE 3.89Å; E87-R264 IonicContact OE1-NH1 2.65Å; E87-R264 PolarHBondContact OE1-NH1 3.08Å; D261-R264 PolarHBondContact O-N 3.3Å; I262-R264 VanDerWaalsContact C-N 3.35Å; I262-R264 PolarHBondContact O-N 2.84Å; R264-H268 WeakPolarHBondContact O-CB 3.34Å; R264-H268 PolarHBondContact O-N 3.11Å; R264-H268 VanDerWaalsContact O-N 3.08Å
265L92.4Very high90.8Very high8 Ų853.5 Ų53.54%0.04223%0.228CC..Hα-helixtrans-61.8-46.9173.8-74169.3000111.7I85 L255 D261 I262 R267 H268 F269 V301 L304I85-L265 HydrophobicContact CB-CD2 3.84Å; I85-L265 HydrophobicContact CD1-CD2 4.48Å; I85-L265 HydrophobicContact CG2-CD2 4.02Å; I85-L265 HydrophobicContact CG2-CG 4.25Å; L255-L265 HydrophobicContact CD1-CD1 3.82Å; D261-L265 HydrophobicContact CB-CD1 3.84Å; D261-L265 HydrophobicContact CB-CG 4.35Å; D261-L265 WeakPolarHBondContact O-CB 3.4Å; D261-L265 VanDerWaalsContact O-CG 3.32Å; D261-L265 WeakPolarHBondContact O-CG 3.08Å; D261-L265 PolarHBondContact O-N 2.87Å; I262-L265 PolarHBondContact O-N 2.86Å; L265-R267 PolarHBondContact O-N 3.08Å; L265-H268 WeakPolarHBondContact O-CB 3.41Å; L265-H268 PolarHBondContact O-N 2.9Å; L265-F269 HydrophobicContact CB-CD2 4.37Å; L265-F269 HydrophobicContact CB-CE2 3.98Å; L265-F269 HydrophobicContact CD2-CE2 4.08Å; L265-F269 HydrophobicContact CD2-CZ 4.15Å; L265-F269 WeakPolarHBondContact O-CD2 3.48Å; L265-F269 WeakPolarHBondContact O-CG 3.48Å; L265-F269 PolarHBondContact O-N 3.17Å; L265-V301 HydrophobicContact CD1-CG2 4.35Å; L265-V301 HydrophobicContact CD2-CG1 4.38Å; L265-L304 HydrophobicContact CB-CD2 3.66Å; L265-L304 HydrophobicContact CD1-CD2 4.39Å
266A93.8Very high90.5Very high0 Ų058.9 Ų58.90%025%0.254CS..Hα-helixtrans-62-46.3-178.300000111.7I262 P263 H268 F269 L270 L284 L292 L304I262-A266 VanDerWaalsContact O-CB 3.25Å; I262-A266 WeakPolarHBondContact O-CB 3.09Å; I262-A266 PolarHBondContact O-N 3.42Å; P263-A266 PolarHBondContact O-N 3.25Å; A266-H268 VanDerWaalsContact C-N 3.31Å; A266-H268 PolarHBondContact O-N 3.26Å; A266-F269 PolarHBondContact O-N 2.96Å; A266-L270 WeakPolarHBondContact O-CB 3.32Å; A266-L270 VanDerWaalsContact O-CG 3.3Å; A266-L270 WeakPolarHBondContact O-CG 3.45Å; A266-L270 PolarHBondContact O-N 2.87Å; A266-L284 HydrophobicContact CB-CD1 3.78Å; A266-L292 HydrophobicContact CB-CD1 4.26Å; A266-L304 HydrophobicContact CB-CD1 4.21Å
267R90.8Very high90.2Very high124 Ų12459.1 Ų59.147%0.46826%0.261SS..Hα-helixtrans-60.9-40.8174.9-67.6175.7-157.9149.1-2.8111.8P263 L265 Q271 E289P263-R267 VanDerWaalsContact O-CG 3.31Å; P263-R267 WeakPolarHBondContact O-CG 3.39Å; P263-R267 PolarHBondContact O-N 3.37Å; P263-R267 VanDerWaalsContact O-N 3.1Å; L265-R267 PolarHBondContact O-N 3.08Å; R267-Q271 WeakPolarHBondContact O-CG 3.34Å; R267-Q271 PolarHBondContact O-N 3.47Å; R267-Q271 VanDerWaalsContact O-N 3.11Å; R267-E289 IonicContact CZ-OE1 3.12Å; R267-E289 IonicContact CZ-OE2 2.78Å; R267-E289 IonicContact NE-OE2 2.74Å; R267-E289 PolarHBondContact NE-OE2 3Å; R267-E289 IonicContact NH2-OE1 3.99Å; R267-E289 PolarHBondContact NH2-OE1 2.86Å; R267-E289 IonicContact NH2-OE2 3.53Å; R267-E289 PolarHBondContact NH2-OE2 2.95Å
268H91.1Very high90Very high74 Ų7457.1 Ų57.134%0.34327%0.27SS..Hα-helixtrans-61.7-49.9176.2176.374.8000111.7I85 R264 L265 A266 L270 Q271 V272I85-H268 HydrophobicContact CD1-CB 3.56Å; R264-H268 WeakPolarHBondContact O-CB 3.34Å; R264-H268 PolarHBondContact O-N 3.11Å; R264-H268 VanDerWaalsContact O-N 3.08Å; L265-H268 WeakPolarHBondContact O-CB 3.41Å; L265-H268 PolarHBondContact O-N 2.9Å; A266-H268 VanDerWaalsContact C-N 3.31Å; A266-H268 PolarHBondContact O-N 3.26Å; H268-L270 VanDerWaalsContact C-N 3.35Å; H268-L270 PolarHBondContact O-N 2.78Å; H268-Q271 WeakPolarHBondContact O-CB 3.43Å; H268-Q271 PolarHBondContact O-N 3.43Å; H268-Q271 VanDerWaalsContact O-N 3.13Å; H268-V272 WeakPolarHBondContact O-CG2 3.4Å; H268-V272 PolarHBondContact O-N 3.23Å
269F92.7Very high89.8Confident24 Ų2460.5 Ų60.511%0.10529%0.291CS..Hα-helixtrans-66.6-34.4-179.3-64.4-47.8000113.1L265 A266 Q271 V272 A273 V301 L304 E305 C308L265-F269 HydrophobicContact CB-CD2 4.37Å; L265-F269 HydrophobicContact CB-CE2 3.98Å; L265-F269 HydrophobicContact CD2-CE2 4.08Å; L265-F269 HydrophobicContact CD2-CZ 4.15Å; L265-F269 WeakPolarHBondContact O-CD2 3.48Å; L265-F269 WeakPolarHBondContact O-CG 3.48Å; L265-F269 PolarHBondContact O-N 3.17Å; A266-F269 PolarHBondContact O-N 2.96Å; F269-Q271 VanDerWaalsContact C-N 3.33Å; F269-Q271 PolarHBondContact O-N 2.99Å; F269-V272 PolarHBondContact O-N 3.38Å; F269-A273 VanDerWaalsContact O-CB 3.27Å; F269-A273 WeakPolarHBondContact O-CB 3.34Å; F269-A273 PolarHBondContact O-N 3.34Å; F269-V301 HydrophobicContact CE2-CG1 3.6Å; F269-V301 HydrophobicContact CZ-CG1 3.43Å; F269-V301 VanDerWaalsContact CZ-CG1 3.43Å; F269-L304 HydrophobicContact CD2-CD2 4.35Å; F269-L304 HydrophobicContact CD2-CG 4.18Å; F269-L304 HydrophobicContact CE2-CD2 4.31Å; F269-L304 HydrophobicContact CE2-CG 4.42Å; F269-E305 HydrophobicContact CD1-CB 4.05Å; F269-E305 HydrophobicContact CD1-CG 3.76Å; F269-E305 HydrophobicContact CD2-CB 4.08Å; F269-E305 HydrophobicContact CE1-CB 4.14Å; F269-E305 HydrophobicContact CE1-CG 4.07Å; F269-E305 HydrophobicContact CE2-CB 4.16Å; F269-E305 HydrophobicContact CG-CB 4.04Å; F269-E305 HydrophobicContact CG-CG 4.07Å; F269-E305 HydrophobicContact CZ-CB 4.2Å; F269-C308 HydrophobicContact CB-CB 3.61Å
270L90.8Very high89.4Confident2 Ų262.9 Ų62.91%0.0131%0.307CS..Hα-helixtrans-62.6-39.2171.5-71.9171.9000112A266 H268 A274 K282 L284 C308 L311A266-L270 WeakPolarHBondContact O-CB 3.32Å; A266-L270 VanDerWaalsContact O-CG 3.3Å; A266-L270 WeakPolarHBondContact O-CG 3.45Å; A266-L270 PolarHBondContact O-N 2.87Å; H268-L270 VanDerWaalsContact C-N 3.35Å; H268-L270 PolarHBondContact O-N 2.78Å; L270-A274 WeakPolarHBondContact O-CB 3.37Å; L270-A274 PolarHBondContact O-N 3.27Å; L270-K282 HydrophobicContact CD2-CB 4.27Å; L270-L284 HydrophobicContact CD1-CD1 4.11Å; L270-L284 HydrophobicContact CD1-CD2 3.86Å; L270-L284 HydrophobicContact CD1-CG 3.67Å; L270-C308 HydrophobicContact CD2-CB 3.94Å; L270-C308 HydrophobicContact CG-CB 4.12Å; L270-L311 HydrophobicContact CD2-CB 4.34Å
271Q90.7Very high89.3Confident93 Ų9358.8 Ų58.844%0.43529%0.294SS..Hα-helixtrans-68.2-41.6174.7-71.8175.47.300112.5R267 H268 F269 A274 R275 A281R267-Q271 WeakPolarHBondContact O-CG 3.34Å; R267-Q271 PolarHBondContact O-N 3.47Å; R267-Q271 VanDerWaalsContact O-N 3.11Å; H268-Q271 WeakPolarHBondContact O-CB 3.43Å; H268-Q271 PolarHBondContact O-N 3.43Å; H268-Q271 VanDerWaalsContact O-N 3.13Å; F269-Q271 VanDerWaalsContact C-N 3.33Å; F269-Q271 PolarHBondContact O-N 2.99Å; Q271-A274 PolarHBondContact O-N 3.17Å; Q271-R275 WeakPolarHBondContact O-CG 3.17Å; Q271-R275 PolarHBondContact O-N 2.74Å; Q271-R275 VanDerWaalsContact O-N 3.09Å; Q271-A281 HydrophobicContact CG-CB 4.1Å
272V89Confident89.2Confident38 Ų3860 Ų6023%0.2330%0.3CS..Hα-helixtrans-62.9-511771720000110.3H268 F269 A274 R275 E276H268-V272 WeakPolarHBondContact O-CG2 3.4Å; H268-V272 PolarHBondContact O-N 3.23Å; F269-V272 PolarHBondContact O-N 3.38Å; V272-A274 VanDerWaalsContact C-N 3.3Å; V272-A274 PolarHBondContact O-N 3.04Å; V272-R275 PolarHBondContact O-N 2.95Å; V272-E276 WeakPolarHBondContact O-CG 3.46Å; V272-E276 PolarHBondContact O-N 2.98Å
273A88.5Confident88.9Confident1 Ų165.4 Ų65.41%0.00833%0.328CS..Hα-helixtrans-59.6-39.8178.700000112.3F269 E276 L277 R309 T312F269-A273 VanDerWaalsContact O-CB 3.27Å; F269-A273 WeakPolarHBondContact O-CB 3.34Å; F269-A273 PolarHBondContact O-N 3.34Å; A273-E276 PolarHBondContact O-N 2.96Å; A273-L277 WeakPolarHBondContact O-CB 3.3Å; A273-L277 WeakPolarHBondContact O-CG 3.44Å; A273-L277 PolarHBondContact O-N 2.85Å; A273-R309 HydrophobicContact CB-CG 4.04Å; A273-T312 HydrophobicContact CB-CG2 4.32Å; A273-T312 WeakPolarHBondContact CB-OG1 3.45Å
274A86.9Confident88.8Confident2 Ų265.4 Ų65.42%0.01733%0.326CS..Hα-helixtrans-64.7-4117700000112.9L270 Q271 V272 L277 G278 V279 A281L270-A274 WeakPolarHBondContact O-CB 3.37Å; L270-A274 PolarHBondContact O-N 3.27Å; Q271-A274 PolarHBondContact O-N 3.17Å; V272-A274 VanDerWaalsContact C-N 3.3Å; V272-A274 PolarHBondContact O-N 3.04Å; A274-L277 PolarHBondContact O-N 3.26Å; A274-G278 PolarHBondContact O-N 3.23Å; A274-V279 HydrophobicContact CB-CG2 4.22Å; A274-V279 WeakPolarHBondContact CB-O 3.35Å; A274-V279 PolarHBondContact O-N 3.14Å; A274-A281 VanDerWaalsContact CB-CA 3.42Å; A274-A281 HydrophobicContact CB-CB 3.73Å
275R90Very high88.9Confident198 Ų19862.9 Ų62.975%0.74732%0.319SS*.Hα-helixtrans-64.7-42.5174.7-72.3176.4-171.21705.3112.3Q271 V272 L277 G278Q271-R275 WeakPolarHBondContact O-CG 3.17Å; Q271-R275 PolarHBondContact O-N 2.74Å; Q271-R275 VanDerWaalsContact O-N 3.09Å; V272-R275 PolarHBondContact O-N 2.95Å; R275-L277 VanDerWaalsContact C-N 3.32Å; R275-L277 PolarHBondContact O-N 2.79Å; R275-G278 PolarHBondContact O-N 3.29Å
276E88Confident88.8Confident114 Ų11466.9 Ų66.953%0.53335%0.345SS..Hα-helixtrans-63.8-37.1178.2-72.2-179.7-176.900112.3V272 A273 R309V272-E276 WeakPolarHBondContact O-CG 3.46Å; V272-E276 PolarHBondContact O-N 2.98Å; A273-E276 PolarHBondContact O-N 2.96Å; E276-R309 IonicContact OE1-CZ 2.69Å; E276-R309 IonicContact OE1-NH1 3.82Å; E276-R309 IonicContact OE1-NH2 3.73Å; E276-R309 PolarHBondContact OE1-NH2 3.48Å; E276-R309 IonicContact OE2-CZ 3.44Å; E276-R309 VanDerWaalsContact OE2-CZ 3.28Å; E276-R309 IonicContact OE2-NH1 2.75Å; E276-R309 PolarHBondContact OE2-NH1 3.37Å; E276-R309 IonicContact OE2-NH2 2.76Å; E276-R309 PolarHBondContact OE2-NH2 3.29Å
277L88.1Confident88.6Confident95 Ų9572.8 Ų72.850%0.49737%0.373SS..Hα-helixtrans-89.8-6.1-179.4-66170.6000113.9A273 A274 R275 V279 T312 V313A273-L277 WeakPolarHBondContact O-CB 3.3Å; A273-L277 WeakPolarHBondContact O-CG 3.44Å; A273-L277 PolarHBondContact O-N 2.85Å; A274-L277 PolarHBondContact O-N 3.26Å; R275-L277 VanDerWaalsContact C-N 3.32Å; R275-L277 PolarHBondContact O-N 2.79Å; L277-V279 VanDerWaalsContact C-N 3.34Å; L277-V279 HydrophobicContact CB-CG1 4.49Å; L277-V279 HydrophobicContact CB-CG2 4.06Å; L277-V279 PolarHBondContact O-N 3.07Å; L277-T312 HydrophobicContact CD1-CG2 3.68Å; L277-V313 HydrophobicContact CD1-CG2 3.69Å
278G87.2Confident88.7Confident70 Ų7066.9 Ų66.972%0.72235%0.351SS*.THydrogen-bonded Turntrans66.731.1-177.900000114A274 R275A274-G278 PolarHBondContact O-N 3.23Å; R275-G278 PolarHBondContact O-N 3.29Å
279V86.2Confident88.7Confident77 Ų7765.1 Ų65.147%0.46734%0.342SS..SBendtrans-117.7170-179.5-60.40000111.4A274 L277 T312A274-V279 HydrophobicContact CB-CG2 4.22Å; A274-V279 WeakPolarHBondContact CB-O 3.35Å; A274-V279 PolarHBondContact O-N 3.14Å; L277-V279 VanDerWaalsContact C-N 3.34Å; L277-V279 HydrophobicContact CB-CG1 4.49Å; L277-V279 HydrophobicContact CB-CG2 4.06Å; L277-V279 PolarHBondContact O-N 3.07Å; V279-T312 HydrophobicContact CG2-CG2 3.72Å
280E83.7Confident88.8Confident149 Ų14965.9 Ų65.970%0.69635%0.353SS*.PPolyproline II helixtrans-71.7140.9172.8-65.1-169.3165.900111.6K282 Q318E280-K282 PolarHBondContact O-N 3.15Å; E280-Q318 PolarHBondContact O-NE2 2.92Å
281A84.7Confident88.8Confident37 Ų3766 Ų6631%0.30635%0.354SS..PPolyproline II helixtrans-70.2121.2-179.100000112Q271 A274 Q318Q271-A281 HydrophobicContact CG-CB 4.1Å; A274-A281 VanDerWaalsContact CB-CA 3.42Å; A274-A281 HydrophobicContact CB-CB 3.73Å; A281-Q318 PolarHBondContact O-NE2 3.01Å
282K85.1Confident89Confident27 Ų2761.6 Ų61.612%0.11733%0.334CS..PPolyproline II helixtrans-59.3147.2177.4-56.4-67-167.8174.30111.1L270 E280 A315 G317 Q318 V320L270-K282 HydrophobicContact CD2-CB 4.27Å; E280-K282 PolarHBondContact O-N 3.15Å; K282-A315 PolarHBondContact NZ-O 3.33Å; K282-G317 WeakPolarHBondContact CD-O 3.26Å; K282-G317 WeakPolarHBondContact CE-O 3.46Å; K282-G317 PolarHBondContact NZ-O 3.45Å; K282-Q318 CarbonylContact C-O 3.47Å; K282-Q318 VanDerWaalsContact CA-O 3.3Å; K282-Q318 WeakPolarHBondContact CA-O 3.49Å; K282-V320 HydrophobicContact CB-CG2 3.77Å; K282-V320 HydrophobicContact CG-CG2 4.33Å
283L88.1Confident89.2Confident113 Ų11361.5 Ų61.559%0.59233%0.333SS*.EExtended strand (participates in β ladder)trans-103.1139.4175.4-59.7177.2000109.3Q318 E319 V320L283-Q318 PolarHBondContact N-O 3.46Å; L283-E319 CarbonylContact O-C 3.56Å; L283-E319 WeakPolarHBondContact O-CA 3.49Å; L283-V320 PolarHBondContact O-N 3.23Å
284L88.1Confident89.4Confident23 Ų2368.9 Ų68.912%0.1236%0.361CS..EExtended strand (participates in β ladder)trans-86127.1173.7-66.7170.3000109.3A266 L270 T288 E289 L292 V320A266-L284 HydrophobicContact CB-CD1 3.78Å; L270-L284 HydrophobicContact CD1-CD1 4.11Å; L270-L284 HydrophobicContact CD1-CD2 3.86Å; L270-L284 HydrophobicContact CD1-CG 3.67Å; L284-T288 HydrophobicContact CD2-CG2 4.1Å; L284-E289 HydrophobicContact CB-CB 4.24Å; L284-E289 HydrophobicContact CD1-CB 4.41Å; L284-E289 HydrophobicContact CD1-CG 4.39Å; L284-L292 HydrophobicContact CD1-CD1 3.95Å; L284-L292 HydrophobicContact CD2-CD1 3.96Å; L284-V320 HydrophobicContact CD2-CB 4.09Å; L284-V320 HydrophobicContact CD2-CG1 4.27Å
285H90.2Very high89.6Confident52 Ų5269.4 Ų69.424%0.24136%0.363CS..PPolyproline II helixtrans-61.7143.2166.2-174.5-97.2000109.2E287 T288 E289 E319 V320 L321H285-E287 IonicContact CE1-OE2 3.22Å; H285-E287 PolarHBondContact ND1-N 3.47Å; H285-E287 PolarHBondContact O-N 3.03Å; H285-E287 VanDerWaalsContact O-N 3.13Å; H285-T288 WeakPolarHBondContact O-CA 3.43Å; H285-T288 VanDerWaalsContact O-CB 3.29Å; H285-T288 WeakPolarHBondContact O-CB 3.48Å; H285-T288 PolarHBondContact O-N 3.32Å; H285-E289 PolarHBondContact O-N 2.68Å; H285-E319 HydrophobicContact CB-CG 3.99Å; H285-E319 IonicContact CD2-OE1 3.85Å; H285-E319 PolarHBondContact CD2-OE1 3.21Å; H285-E319 VanDerWaalsContact CD2-OE1 3.29Å; H285-E319 IonicContact CG-OE1 2.79Å; H285-V320 WeakPolarHBondContact CB-O 3.29Å; H285-V320 PolarHBondContact N-O 3.45Å; H285-L321 HydrophobicContact CB-CD2 3.98Å
286P90.3Very high89.7Confident91 Ų9161.7 Ų61.759%0.59134%0.342SS*.Hα-helixtrans-53.5-37.2-176.6-29.836.2000114.3E289 A290P286-E289 PolarHBondContact O-N 3.39Å; P286-A290 WeakPolarHBondContact O-CB 3.36Å; P286-A290 PolarHBondContact O-N 3.19Å
287E90.9Very high90Very high125 Ų12556.4 Ų56.458%0.58432%0.317SS*.Hα-helixtrans-68.1-36.3176.7-61.7-177.6166.900112.7H285 A290 A291 I322H285-E287 IonicContact CE1-OE2 3.22Å; H285-E287 PolarHBondContact ND1-N 3.47Å; H285-E287 PolarHBondContact O-N 3.03Å; H285-E287 VanDerWaalsContact O-N 3.13Å; E287-A290 PolarHBondContact O-N 2.87Å; E287-A291 WeakPolarHBondContact O-CB 3Å; E287-A291 PolarHBondContact O-N 2.9Å; E287-I322 HydrophobicContact CB-CD1 3.67Å; E287-I322 HydrophobicContact CB-CG1 4.35Å
288T91.7Very high90.2Very high0 Ų054.2 Ų54.20%031%0.309CS..Hα-helixtrans-65.8-45175.3-50.50000110.5L284 H285 A290 A291 L292 V320 L321 I322 L325L284-T288 HydrophobicContact CD2-CG2 4.1Å; H285-T288 WeakPolarHBondContact O-CA 3.43Å; H285-T288 VanDerWaalsContact O-CB 3.29Å; H285-T288 WeakPolarHBondContact O-CB 3.48Å; H285-T288 PolarHBondContact O-N 3.32Å; T288-A290 VanDerWaalsContact C-N 3.34Å; T288-A290 PolarHBondContact O-N 3.35Å; T288-A291 WeakPolarHBondContact O-CB 3.49Å; T288-A291 PolarHBondContact O-N 3.47Å; T288-A291 VanDerWaalsContact O-N 3.13Å; T288-L292 WeakPolarHBondContact O-CG 3.21Å; T288-L292 PolarHBondContact O-N 3.49Å; T288-V320 WeakPolarHBondContact CB-O 3.38Å; T288-V320 HydrophobicContact CG2-CG1 4.04Å; T288-V320 PolarHBondContact OG1-O 2.92Å; T288-L321 WeakPolarHBondContact OG1-CA 3.45Å; T288-I322 PolarHBondContact OG1-N 3.1Å; T288-I322 VanDerWaalsContact OG1-N 3.13Å; T288-L325 HydrophobicContact CG2-CD1 3.93Å; T288-L325 HydrophobicContact CG2-CD2 3.91Å; T288-L325 HydrophobicContact CG2-CG 4Å
289E92.6Very high90.5Very high36 Ų3652.3 Ų52.317%0.16829%0.289CS..Hα-helixtrans-62.1-42.1176.8-170.7175.397.700111.6P263 R267 L284 H285 P286 A291 L292 T293P263-E289 HydrophobicContact CB-CG 3.89Å; P263-E289 HydrophobicContact CG-CG 4.07Å; R267-E289 IonicContact CZ-OE1 3.12Å; R267-E289 IonicContact CZ-OE2 2.78Å; R267-E289 IonicContact NE-OE2 2.74Å; R267-E289 PolarHBondContact NE-OE2 3Å; R267-E289 IonicContact NH2-OE1 3.99Å; R267-E289 PolarHBondContact NH2-OE1 2.86Å; R267-E289 IonicContact NH2-OE2 3.53Å; R267-E289 PolarHBondContact NH2-OE2 2.95Å; L284-E289 HydrophobicContact CB-CB 4.24Å; L284-E289 HydrophobicContact CD1-CB 4.41Å; L284-E289 HydrophobicContact CD1-CG 4.39Å; H285-E289 PolarHBondContact O-N 2.68Å; P286-E289 PolarHBondContact O-N 3.39Å; E289-A291 VanDerWaalsContact C-N 3.31Å; E289-A291 PolarHBondContact O-N 3.32Å; E289-L292 PolarHBondContact O-N 3.33Å; E289-T293 PolarHBondContact O-N 3.27Å; E289-T293 PolarHBondContact O-OG1 3.01Å
290A93Very high90.9Very high40 Ų4048.6 Ų48.633%0.33127%0.266SS..Hα-helixtrans-64.1-35.9173.800000112.1P286 E287 T288 R294P286-A290 WeakPolarHBondContact O-CB 3.36Å; P286-A290 PolarHBondContact O-N 3.19Å; E287-A290 PolarHBondContact O-N 2.87Å; T288-A290 VanDerWaalsContact C-N 3.34Å; T288-A290 PolarHBondContact O-N 3.35Å; A290-R294 WeakPolarHBondContact O-CG 2.99Å; A290-R294 PolarHBondContact O-N 3.03Å; A290-R294 PolarHBondContact O-NH1 3.28Å
291A92.4Very high91.5Very high5 Ų542.4 Ų42.44%0.04124%0.238CC..Hα-helixtrans-65.9-48.6174.400000111.8E287 T288 E289 T293 R294 L295 I322 L325E287-A291 WeakPolarHBondContact O-CB 3Å; E287-A291 PolarHBondContact O-N 2.9Å; T288-A291 WeakPolarHBondContact O-CB 3.49Å; T288-A291 PolarHBondContact O-N 3.47Å; T288-A291 VanDerWaalsContact O-N 3.13Å; E289-A291 VanDerWaalsContact C-N 3.31Å; E289-A291 PolarHBondContact O-N 3.32Å; A291-T293 PolarHBondContact O-N 2.88Å; A291-R294 PolarHBondContact O-N 3.37Å; A291-L295 PolarHBondContact O-N 2.9Å; A291-I322 HydrophobicContact CB-CG1 4.41Å; A291-L325 HydrophobicContact CB-CD1 4.37Å
292L94.3Very high91.9Very high1 Ų146.7 Ų46.71%0.00525%0.247CC..Hα-helixtrans-55.7-39.2176.3-67.6175.6000111.9I262 A266 L284 T288 E289 R294 L295 W297 L325I262-L292 HydrophobicContact CG2-CB 4.1Å; A266-L292 HydrophobicContact CB-CD1 4.26Å; L284-L292 HydrophobicContact CD1-CD1 3.95Å; L284-L292 HydrophobicContact CD2-CD1 3.96Å; T288-L292 WeakPolarHBondContact O-CG 3.21Å; T288-L292 PolarHBondContact O-N 3.49Å; E289-L292 PolarHBondContact O-N 3.33Å; L292-R294 PolarHBondContact O-N 3.01Å; L292-L295 HydrophobicContact CD2-CD1 4.2Å; L292-L295 PolarHBondContact O-N 3.24Å; L292-W297 HydrophobicContact CB-CZ2 4.2Å; L292-W297 HydrophobicContact CD2-CH2 3.87Å; L292-W297 HydrophobicContact CD2-CZ2 3.66Å; L292-W297 PolarHBondContact O-NE1 3.23Å; L292-L325 HydrophobicContact CD2-CD1 4.1Å; L292-L325 HydrophobicContact CD2-CD2 3.85Å; L292-L325 HydrophobicContact CG-CD1 4.5Å
293T93.6Very high92.4Very high35 Ų3547.4 Ų47.422%0.21525%0.251CS..Hα-helixtrans-65.3-24.7178.3-53.90000113R259 E289 A291R259-T293 HydrophobicContact CB-CG2 4.02Å; R259-T293 WeakPolarHBondContact CD-O 3.03Å; E289-T293 PolarHBondContact O-N 3.27Å; E289-T293 PolarHBondContact O-OG1 3.01Å; A291-T293 PolarHBondContact O-N 2.88Å
294R91.6Very high92.8Very high157 Ų15742 Ų4259%0.59222%0.222SC*.Hα-helixtrans-87.7-19.3-179.8-70.4-173.4-62.2-92.52.5114.1R259 A290 A291 L292R259-R294 PolarHBondContact NH1-O 2.82Å; A290-R294 WeakPolarHBondContact O-CG 2.99Å; A290-R294 PolarHBondContact O-N 3.03Å; A290-R294 PolarHBondContact O-NH1 3.28Å; A291-R294 PolarHBondContact O-N 3.37Å; L292-R294 PolarHBondContact O-N 3.01Å
295L92.3Very high93.2Very high12 Ų1243.4 Ų43.46%0.06323%0.228CC..SBendtrans-66.6155-177.9-64.1175.6000112.3A291 L292 W297 L329 F330A291-L295 PolarHBondContact O-N 2.9Å; L292-L295 HydrophobicContact CD2-CD1 4.2Å; L292-L295 PolarHBondContact O-N 3.24Å; L295-W297 HydrophobicContact CB-CD2 4.49Å; L295-W297 HydrophobicContact CB-CZ2 4.33Å; L295-W297 HydrophobicContact CD1-CH2 4.18Å; L295-W297 HydrophobicContact CD1-CZ2 3.74Å; L295-W297 VanDerWaalsContact O-CD1 3.31Å; L295-L329 HydrophobicContact CD1-CB 3.93Å; L295-L329 HydrophobicContact CD1-CD1 4.2Å; L295-L329 WeakPolarHBondContact CD2-O 3.31Å; L295-F330 HydrophobicContact CD2-CD1 3.96Å; L295-F330 HydrophobicContact CD2-CE1 4.08Å
296A90.9Very high93.4Very high36 Ų3645.3 Ų45.330%0.29824%0.24SC..  trans-79.3-28.8-175.700000114
297W95Very high93.6Very high4 Ų441.5 Ų41.52%0.01522%0.215CC..  trans5063.3-179-60106.6000114.7L255 L292 L295 G299 N300 Q303 L304 T307 L329L255-W297 HydrophobicContact CB-CB 4.18Å; L255-W297 HydrophobicContact CD2-CB 3.84Å; L255-W297 HydrophobicContact CD2-CD2 4.19Å; L255-W297 HydrophobicContact CD2-CG 3.68Å; L255-W297 HydrophobicContact CG-CB 4.31Å; L255-W297 HydrophobicContact CG-CG 4.33Å; L292-W297 HydrophobicContact CB-CZ2 4.2Å; L292-W297 HydrophobicContact CD2-CH2 3.87Å; L292-W297 HydrophobicContact CD2-CZ2 3.66Å; L292-W297 PolarHBondContact O-NE1 3.23Å; L295-W297 HydrophobicContact CB-CD2 4.49Å; L295-W297 HydrophobicContact CB-CZ2 4.33Å; L295-W297 HydrophobicContact CD1-CH2 4.18Å; L295-W297 HydrophobicContact CD1-CZ2 3.74Å; L295-W297 VanDerWaalsContact O-CD1 3.31Å; W297-G299 PolarHBondContact O-N 2.87Å; W297-N300 WeakPolarHBondContact O-CA 3.46Å; W297-N300 PolarHBondContact O-N 3.07Å; W297-Q303 VanDerWaalsContact C-OE1 3.31Å; W297-Q303 HydrophobicContact CE3-CB 4.09Å; W297-Q303 HydrophobicContact CE3-CG 3.85Å; W297-Q303 HydrophobicContact CZ3-CB 4.49Å; W297-Q303 HydrophobicContact CZ3-CG 4Å; W297-L304 HydrophobicContact CD2-CB 4.49Å; W297-L304 HydrophobicContact CE3-CB 4.13Å; W297-L304 HydrophobicContact CH2-CB 4.36Å; W297-L304 HydrophobicContact CH2-CD1 3.53Å; W297-L304 HydrophobicContact CZ2-CD1 3.57Å; W297-L304 HydrophobicContact CZ3-CB 4.07Å; W297-L304 HydrophobicContact CZ3-CD1 4.11Å; W297-T307 HydrophobicContact CH2-CG2 4.27Å; W297-L329 HydrophobicContact CH2-CD1 4.46Å; W297-L329 HydrophobicContact CH2-CD2 4.22Å; W297-L329 HydrophobicContact CZ3-CD2 3.88Å
298P92.7Very high93.8Very high49 Ų4935.6 Ų35.632%0.31819%0.188SC..THydrogen-bonded Turntrans-57.6-31.8178.224-35.3000113.7N300P298-N300 VanDerWaalsContact C-N 3.27Å; P298-N300 PolarHBondContact O-N 2.94Å; P298-N300 PolarHBondContact O-ND2 3.36Å
299G92.7Very high93.8Very high29 Ų2939.7 Ų39.730%0.29920%0.203SC..THydrogen-bonded Turntrans-88.511.6173.400000114.2W297 R302 Q303W297-G299 PolarHBondContact O-N 2.87Å; G299-R302 PolarHBondContact O-N 3.13Å; G299-Q303 PolarHBondContact O-N 2.98Å; G299-Q303 VanDerWaalsContact O-N 3.15Å
300N96Very high93.8Very high0 Ų043 Ų430%021%0.214CC..Hα-helixtrans51.6-140.4176.6-68.8-75.8000113E113 S114 G115 T116 P254 L255 W297 P298 R302 Q303 L304E113-N300 VanDerWaalsContact CB-ND2 3.29Å; E113-N300 WeakPolarHBondContact CB-ND2 3.39Å; E113-N300 PolarHBondContact OE2-ND2 3.33Å; S114-N300 PolarHBondContact O-ND2 3.36Å; G115-N300 WeakPolarHBondContact O-CB 3.29Å; T116-N300 HydrophobicContact CG2-CB 3.99Å; P254-N300 WeakPolarHBondContact CA-OD1 3.11Å; P254-N300 WeakPolarHBondContact CB-OD1 3.28Å; L255-N300 HydrophobicContact CB-CB 4.36Å; L255-N300 PolarHBondContact N-OD1 2.84Å; W297-N300 WeakPolarHBondContact O-CA 3.46Å; W297-N300 PolarHBondContact O-N 3.07Å; P298-N300 VanDerWaalsContact C-N 3.27Å; P298-N300 PolarHBondContact O-N 2.94Å; P298-N300 PolarHBondContact O-ND2 3.36Å; N300-R302 VanDerWaalsContact C-N 3.26Å; N300-R302 PolarHBondContact O-N 3.07Å; N300-Q303 PolarHBondContact O-N 2.97Å; N300-L304 PolarHBondContact O-N 2.88Å
301V94.9Very high93.8Very high18 Ų1841.2 Ų41.211%0.10920%0.199CC..Hα-helixtrans-62.2-33.9-176.1-174.90000111.3G115 L255 L265 F269 Q303 L304 E305G115-V301 WeakPolarHBondContact O-CA 3.49Å; G115-V301 VanDerWaalsContact O-CB 3.25Å; G115-V301 WeakPolarHBondContact O-CB 3.26Å; G115-V301 PolarHBondContact O-N 3.47Å; L255-V301 HydrophobicContact CD1-CG2 4.36Å; L265-V301 HydrophobicContact CD1-CG2 4.35Å; L265-V301 HydrophobicContact CD2-CG1 4.38Å; F269-V301 HydrophobicContact CE2-CG1 3.6Å; F269-V301 HydrophobicContact CZ-CG1 3.43Å; F269-V301 VanDerWaalsContact CZ-CG1 3.43Å; V301-Q303 PolarHBondContact O-N 3.01Å; V301-L304 PolarHBondContact O-N 3.28Å; V301-E305 WeakPolarHBondContact O-CB 3.36Å; V301-E305 PolarHBondContact O-N 3.42Å
302R94.2Very high93.7Very high127 Ų12741.4 Ų41.448%0.47920%0.2SC..Hα-helixtrans-63.8-39.6176.9-173.8179.2-69.5140.2-5.9112.2S114 G115 G299 N300 N306S114-R302 PolarHBondContact OG-NH1 3.46Å; G115-R302 PolarHBondContact O-N 2.87Å; G299-R302 PolarHBondContact O-N 3.13Å; N300-R302 VanDerWaalsContact C-N 3.26Å; N300-R302 PolarHBondContact O-N 3.07Å; R302-N306 WeakPolarHBondContact O-CB 3.4Å; R302-N306 VanDerWaalsContact O-CG 3.26Å; R302-N306 PolarHBondContact O-N 3.48Å; R302-N306 PolarHBondContact O-ND2 3.2Å
303Q95.9Very high93.4Very high43 Ų4345.9 Ų45.920%0.20123%0.227CC..Hα-helixtrans-67.5-41.2175-173.9-177.517.300111.5W297 G299 N300 V301 N306 T307W297-Q303 VanDerWaalsContact C-OE1 3.31Å; W297-Q303 HydrophobicContact CE3-CB 4.09Å; W297-Q303 HydrophobicContact CE3-CG 3.85Å; W297-Q303 HydrophobicContact CZ3-CB 4.49Å; W297-Q303 HydrophobicContact CZ3-CG 4Å; G299-Q303 PolarHBondContact O-N 2.98Å; G299-Q303 VanDerWaalsContact O-N 3.15Å; N300-Q303 PolarHBondContact O-N 2.97Å; V301-Q303 PolarHBondContact O-N 3.01Å; Q303-N306 PolarHBondContact O-N 3.26Å; Q303-T307 WeakPolarHBondContact O-CB 3.4Å; Q303-T307 PolarHBondContact O-N 2.88Å; Q303-T307 PolarHBondContact O-OG1 3.03Å
304L96.2Very high93.1Very high0 Ų049.7 Ų49.70%024%0.244CC..Hα-helixtrans-61.3-46.8175.4179.163.3000111.3L255 I262 L265 A266 F269 W297 N300 V301 N306 T307 C308L255-L304 HydrophobicContact CD2-CB 4.14Å; L255-L304 HydrophobicContact CD2-CD2 4.08Å; I262-L304 HydrophobicContact CG2-CD2 4.33Å; L265-L304 HydrophobicContact CB-CD2 3.66Å; L265-L304 HydrophobicContact CD1-CD2 4.39Å; A266-L304 HydrophobicContact CB-CD1 4.21Å; F269-L304 HydrophobicContact CD2-CD2 4.35Å; F269-L304 HydrophobicContact CD2-CG 4.18Å; F269-L304 HydrophobicContact CE2-CD2 4.31Å; F269-L304 HydrophobicContact CE2-CG 4.42Å; W297-L304 HydrophobicContact CD2-CB 4.49Å; W297-L304 HydrophobicContact CE3-CB 4.13Å; W297-L304 HydrophobicContact CH2-CB 4.36Å; W297-L304 HydrophobicContact CH2-CD1 3.53Å; W297-L304 HydrophobicContact CZ2-CD1 3.57Å; W297-L304 HydrophobicContact CZ3-CB 4.07Å; W297-L304 HydrophobicContact CZ3-CD1 4.11Å; N300-L304 PolarHBondContact O-N 2.88Å; V301-L304 PolarHBondContact O-N 3.28Å; L304-N306 PolarHBondContact O-N 2.81Å; L304-T307 WeakPolarHBondContact O-CB 3.31Å; L304-T307 PolarHBondContact O-N 3.02Å; L304-C308 PolarHBondContact O-N 3.33Å; L304-C308 PolarHBondContact O-SG 2.92Å; L304-C308 VanDerWaalsContact O-SG 3.37Å
305E95.1Very high92.8Very high52 Ų5242.5 Ų42.524%0.24322%0.218CC..Hα-helixtrans-57-50.7176.1-176.7-171.3169.400111.5F269 V301 T307 C308 R309F269-E305 HydrophobicContact CD1-CB 4.05Å; F269-E305 HydrophobicContact CD1-CG 3.76Å; F269-E305 HydrophobicContact CD2-CB 4.08Å; F269-E305 HydrophobicContact CE1-CB 4.14Å; F269-E305 HydrophobicContact CE1-CG 4.07Å; F269-E305 HydrophobicContact CE2-CB 4.16Å; F269-E305 HydrophobicContact CG-CB 4.04Å; F269-E305 HydrophobicContact CG-CG 4.07Å; F269-E305 HydrophobicContact CZ-CB 4.2Å; V301-E305 WeakPolarHBondContact O-CB 3.36Å; V301-E305 PolarHBondContact O-N 3.42Å; E305-T307 VanDerWaalsContact C-N 3.27Å; E305-T307 PolarHBondContact O-N 3.02Å; E305-C308 PolarHBondContact O-N 2.93Å; E305-R309 WeakPolarHBondContact O-CG 3.41Å; E305-R309 PolarHBondContact O-N 2.95Å; E305-R309 IonicContact OE1-CZ 3.56Å; E305-R309 IonicContact OE1-NE 3.27Å; E305-R309 PolarHBondContact OE1-NE 2.81Å; E305-R309 IonicContact OE1-NH2 2.96Å; E305-R309 PolarHBondContact OE1-NH2 3.27Å
306N94.8Very high92.1Very high91 Ų9146.9 Ų46.949%0.48726%0.255SS..Hα-helixtrans-60.9-38.5178.7-73.4-15.2000112R302 Q303 L304 R309 W310R302-N306 WeakPolarHBondContact O-CB 3.4Å; R302-N306 VanDerWaalsContact O-CG 3.26Å; R302-N306 PolarHBondContact O-N 3.48Å; R302-N306 PolarHBondContact O-ND2 3.2Å; Q303-N306 PolarHBondContact O-N 3.26Å; L304-N306 PolarHBondContact O-N 2.81Å; N306-R309 PolarHBondContact O-N 2.81Å; N306-W310 WeakPolarHBondContact O-CB 3.08Å; N306-W310 PolarHBondContact O-N 2.89Å
307T95.2Very high91.5Very high12 Ų1246.8 Ų46.87%0.07426%0.258CS..Hα-helixtrans-63.6-45.5175.5-57.90000110.8W297 Q303 L304 E305 R309 W310 L311 L329W297-T307 HydrophobicContact CH2-CG2 4.27Å; Q303-T307 WeakPolarHBondContact O-CB 3.4Å; Q303-T307 PolarHBondContact O-N 2.88Å; Q303-T307 PolarHBondContact O-OG1 3.03Å; L304-T307 WeakPolarHBondContact O-CB 3.31Å; L304-T307 PolarHBondContact O-N 3.02Å; E305-T307 VanDerWaalsContact C-N 3.27Å; E305-T307 PolarHBondContact O-N 3.02Å; T307-R309 PolarHBondContact O-N 2.92Å; T307-W310 WeakPolarHBondContact O-CB 3.24Å; T307-W310 PolarHBondContact O-N 3.06Å; T307-L311 HydrophobicContact CG2-CD1 4.03Å; T307-L311 HydrophobicContact CG2-CG 4.42Å; T307-L311 VanDerWaalsContact O-CG 3.27Å; T307-L311 WeakPolarHBondContact O-CG 3.29Å; T307-L311 PolarHBondContact O-N 3.34Å; T307-L329 HydrophobicContact CG2-CD1 3.71Å
308C94.5Very high91Very high1 Ų150.2 Ų50.21%0.00728%0.275CS..Hα-helixtrans-61.7-43.6175.9-69.90000112F269 L270 L304 E305 W310 L311 T312F269-C308 HydrophobicContact CB-CB 3.61Å; L270-C308 HydrophobicContact CD2-CB 3.94Å; L270-C308 HydrophobicContact CG-CB 4.12Å; L304-C308 PolarHBondContact O-N 3.33Å; L304-C308 PolarHBondContact O-SG 2.92Å; L304-C308 VanDerWaalsContact O-SG 3.37Å; E305-C308 PolarHBondContact O-N 2.93Å; C308-W310 VanDerWaalsContact C-N 3.32Å; C308-W310 PolarHBondContact O-N 2.86Å; C308-L311 PolarHBondContact O-N 2.99Å; C308-T312 PolarHBondContact O-N 2.64Å; C308-T312 PolarHBondContact O-OG1 3.35Å
309R92.6Very high90.8Very high86 Ų8652.3 Ų52.333%0.32528%0.28SS..Hα-helixtrans-58.1-44.7174-71.9171.9177.6-91.7-8.1111.5A273 E276 E305 N306 T307 T312 V313A273-R309 HydrophobicContact CB-CG 4.04Å; E276-R309 IonicContact OE1-CZ 2.69Å; E276-R309 IonicContact OE1-NH1 3.82Å; E276-R309 IonicContact OE1-NH2 3.73Å; E276-R309 PolarHBondContact OE1-NH2 3.48Å; E276-R309 IonicContact OE2-CZ 3.44Å; E276-R309 VanDerWaalsContact OE2-CZ 3.28Å; E276-R309 IonicContact OE2-NH1 2.75Å; E276-R309 PolarHBondContact OE2-NH1 3.37Å; E276-R309 IonicContact OE2-NH2 2.76Å; E276-R309 PolarHBondContact OE2-NH2 3.29Å; E305-R309 WeakPolarHBondContact O-CG 3.41Å; E305-R309 PolarHBondContact O-N 2.95Å; E305-R309 IonicContact OE1-CZ 3.56Å; E305-R309 IonicContact OE1-NE 3.27Å; E305-R309 PolarHBondContact OE1-NE 2.81Å; E305-R309 IonicContact OE1-NH2 2.96Å; E305-R309 PolarHBondContact OE1-NH2 3.27Å; N306-R309 PolarHBondContact O-N 2.81Å; T307-R309 PolarHBondContact O-N 2.92Å; R309-T312 PolarHBondContact O-N 2.97Å; R309-V313 PolarHBondContact O-N 2.85Å
310W92.6Very high90.6Very high106 Ų10651 Ų5140%0.40227%0.266SS..Hα-helixtrans-62.5-44.3176.8-177.997.9000111.4N306 T307 C308 T312 V313 M314 D324 P326N306-W310 WeakPolarHBondContact O-CB 3.08Å; N306-W310 PolarHBondContact O-N 2.89Å; T307-W310 WeakPolarHBondContact O-CB 3.24Å; T307-W310 PolarHBondContact O-N 3.06Å; C308-W310 VanDerWaalsContact C-N 3.32Å; C308-W310 PolarHBondContact O-N 2.86Å; W310-T312 VanDerWaalsContact C-N 3.33Å; W310-T312 PolarHBondContact O-N 2.98Å; W310-V313 PolarHBondContact O-N 3.33Å; W310-V313 VanDerWaalsContact O-N 3.14Å; W310-M314 HydrophobicContact CD2-CB 4.03Å; W310-M314 HydrophobicContact CD2-CG 3.79Å; W310-M314 VanDerWaalsContact CE2-CG 3.5Å; W310-M314 HydrophobicContact CE3-CB 4.01Å; W310-M314 HydrophobicContact CE3-CG 4.28Å; W310-M314 HydrophobicContact CG-CG 4.17Å; W310-M314 HydrophobicContact CH2-CB 3.77Å; W310-M314 HydrophobicContact CH2-CG 4.25Å; W310-M314 HydrophobicContact CZ2-CB 3.83Å; W310-M314 HydrophobicContact CZ2-CE 4.32Å; W310-M314 HydrophobicContact CZ2-CG 3.78Å; W310-M314 HydrophobicContact CZ3-CB 3.83Å; W310-M314 HydrophobicContact CZ3-CG 4.44Å; W310-M314 WeakPolarHBondContact O-CB 3.23Å; W310-M314 WeakPolarHBondContact O-CG 3.49Å; W310-M314 PolarHBondContact O-N 3.24Å; W310-D324 WeakPolarHBondContact CH2-O 3.39Å; W310-D324 WeakPolarHBondContact CZ3-O 3.26Å; W310-P326 HydrophobicContact CD2-CG 3.87Å; W310-P326 HydrophobicContact CE3-CG 3.62Å; W310-P326 HydrophobicContact CH2-CG 3.96Å; W310-P326 HydrophobicContact CZ2-CG 4.14Å; W310-P326 HydrophobicContact CZ3-CG 3.72Å
311L92.6Very high90.3Very high1 Ų154 Ų541%0.00528%0.282CS..Hα-helixtrans-63.2-37.9178.4-71.4167.1000112.2L270 T307 C308 V313 A315 V320 D324 L325L270-L311 HydrophobicContact CD2-CB 4.34Å; T307-L311 HydrophobicContact CG2-CD1 4.03Å; T307-L311 HydrophobicContact CG2-CG 4.42Å; T307-L311 VanDerWaalsContact O-CG 3.27Å; T307-L311 WeakPolarHBondContact O-CG 3.29Å; T307-L311 PolarHBondContact O-N 3.34Å; C308-L311 PolarHBondContact O-N 2.99Å; L311-V313 PolarHBondContact O-N 3.25Å; L311-A315 WeakPolarHBondContact O-CB 3.31Å; L311-A315 PolarHBondContact O-N 2.95Å; L311-V320 HydrophobicContact CD1-CG1 4.21Å; L311-V320 HydrophobicContact CD2-CG1 3.78Å; L311-V320 HydrophobicContact CG-CG1 4.48Å; L311-D324 HydrophobicContact CD2-CB 4.25Å; L311-D324 WeakPolarHBondContact CD2-O 3.36Å; L311-L325 HydrophobicContact CD1-CD2 3.91Å; L311-L325 HydrophobicContact CD2-CD2 4.06Å
312T89.1Confident90Very high9 Ų956.3 Ų56.36%0.05529%0.293CS..Hα-helixtrans-59-34.6176-57.20000112.2A273 L277 V279 C308 R309 W310A273-T312 HydrophobicContact CB-CG2 4.32Å; A273-T312 WeakPolarHBondContact CB-OG1 3.45Å; L277-T312 HydrophobicContact CD1-CG2 3.68Å; V279-T312 HydrophobicContact CG2-CG2 3.72Å; C308-T312 PolarHBondContact O-N 2.64Å; C308-T312 PolarHBondContact O-OG1 3.35Å; R309-T312 PolarHBondContact O-N 2.97Å; W310-T312 VanDerWaalsContact C-N 3.33Å; W310-T312 PolarHBondContact O-N 2.98Å
313V88.5Confident89.7Confident96 Ų9657.8 Ų57.858%0.58231%0.305SS*.Hα-helixtrans-86.9-42-179.8179.80000112.2L277 R309 W310 L311L277-V313 HydrophobicContact CD1-CG2 3.69Å; R309-V313 PolarHBondContact O-N 2.85Å; W310-V313 PolarHBondContact O-N 3.33Å; W310-V313 VanDerWaalsContact O-N 3.14Å; L311-V313 PolarHBondContact O-N 3.25Å
314M88.7Confident89.3Confident115 Ų11557.3 Ų57.357%0.56730%0.304SS*.Hα-helixtrans-95.5-26.6-165.8-62.7-62.2-69.900114.3W310 A316W310-M314 HydrophobicContact CD2-CB 4.03Å; W310-M314 HydrophobicContact CD2-CG 3.79Å; W310-M314 VanDerWaalsContact CE2-CG 3.5Å; W310-M314 HydrophobicContact CE3-CB 4.01Å; W310-M314 HydrophobicContact CE3-CG 4.28Å; W310-M314 HydrophobicContact CG-CG 4.17Å; W310-M314 HydrophobicContact CH2-CB 3.77Å; W310-M314 HydrophobicContact CH2-CG 4.25Å; W310-M314 HydrophobicContact CZ2-CB 3.83Å; W310-M314 HydrophobicContact CZ2-CE 4.32Å; W310-M314 HydrophobicContact CZ2-CG 3.78Å; W310-M314 HydrophobicContact CZ3-CB 3.83Å; W310-M314 HydrophobicContact CZ3-CG 4.44Å; W310-M314 WeakPolarHBondContact O-CB 3.23Å; W310-M314 WeakPolarHBondContact O-CG 3.49Å; W310-M314 PolarHBondContact O-N 3.24Å; M314-A316 PolarHBondContact O-N 3.29Å
315A84.4Confident89Confident6 Ų657.8 Ų57.85%0.0531%0.306CS..  trans-70.7123.5178.900000110.4K282 L311 V320 D324K282-A315 PolarHBondContact NZ-O 3.33Å; L311-A315 WeakPolarHBondContact O-CB 3.31Å; L311-A315 PolarHBondContact O-N 2.95Å; A315-V320 HydrophobicContact CB-CG2 4.26Å; A315-D324 HydrophobicContact CB-CB 4.36Å
316A78.4Confident88.6Confident103 Ų10356.5 Ų56.585%0.85130%0.303SS*.SBendtrans-70.3-37-177.200000112.7M314M314-A316 PolarHBondContact O-N 3.29Å
317G77.3Confident88Confident35 Ų3554.3 Ų54.336%0.36130%0.302SS..SBendtrans-90.2165.9-178.800000113.7K282 E319K282-G317 WeakPolarHBondContact CD-O 3.26Å; K282-G317 WeakPolarHBondContact CE-O 3.46Å; K282-G317 PolarHBondContact NZ-O 3.45Å; G317-E319 VanDerWaalsContact C-N 3.28Å
318Q84.7Confident87.5Confident76 Ų7660.8 Ų60.836%0.35533%0.331SS..SBendtrans-70.3-30.7171.2-168.159.422.500111.8E280 A281 K282 L283E280-Q318 PolarHBondContact O-NE2 2.92Å; A281-Q318 PolarHBondContact O-NE2 3.01Å; K282-Q318 CarbonylContact C-O 3.47Å; K282-Q318 VanDerWaalsContact CA-O 3.3Å; K282-Q318 WeakPolarHBondContact CA-O 3.49Å; L283-Q318 PolarHBondContact N-O 3.46Å
319E89.4Confident87Confident93 Ų9361.4 Ų61.444%0.43533%0.334SS..EExtended strand (participates in β ladder)trans-95.8132.2173.9-174.4168-143.700110.2L283 H285 G317L283-E319 CarbonylContact O-C 3.56Å; L283-E319 WeakPolarHBondContact O-CA 3.49Å; H285-E319 HydrophobicContact CB-CG 3.99Å; H285-E319 IonicContact CD2-OE1 3.85Å; H285-E319 PolarHBondContact CD2-OE1 3.21Å; H285-E319 VanDerWaalsContact CD2-OE1 3.29Å; H285-E319 IonicContact CG-OE1 2.79Å; G317-E319 VanDerWaalsContact C-N 3.28Å
320V87.7Confident86.5Confident0 Ų061.4 Ų61.40%034%0.337CS..EExtended strand (participates in β ladder)trans-93117179.7-178.20000109.2K282 L283 L284 H285 T288 L311 A315 D324K282-V320 HydrophobicContact CB-CG2 3.77Å; K282-V320 HydrophobicContact CG-CG2 4.33Å; L283-V320 PolarHBondContact O-N 3.23Å; L284-V320 HydrophobicContact CD2-CB 4.09Å; L284-V320 HydrophobicContact CD2-CG1 4.27Å; H285-V320 WeakPolarHBondContact CB-O 3.29Å; H285-V320 PolarHBondContact N-O 3.45Å; T288-V320 WeakPolarHBondContact CB-O 3.38Å; T288-V320 HydrophobicContact CG2-CG1 4.04Å; T288-V320 PolarHBondContact OG1-O 2.92Å; L311-V320 HydrophobicContact CD1-CG1 4.21Å; L311-V320 HydrophobicContact CD2-CG1 3.78Å; L311-V320 HydrophobicContact CG-CG1 4.48Å; A315-V320 HydrophobicContact CB-CG2 4.26Å; V320-D324 HydrophobicContact CG1-CB 3.98Å
321L89.3Confident85.3Confident65 Ų6563 Ų6334%0.3435%0.349SS..PPolyproline II helixtrans-94.4165177.5-58.4177.6000110.6H285 T288 Q323 D324H285-L321 HydrophobicContact CB-CD2 3.98Å; T288-L321 WeakPolarHBondContact OG1-CA 3.45Å; L321-Q323 HydrophobicContact CB-CG 3.99Å; L321-Q323 PolarHBondContact O-N 2.8Å; L321-D324 PolarHBondContact N-OD2 3.36Å; L321-D324 WeakPolarHBondContact O-CB 3.49Å; L321-D324 PolarHBondContact O-N 2.68Å
322I89.4Confident83.5Confident65 Ų6565 Ų6533%0.33336%0.363SS..G310 helixtrans-57.9-37179.6-69.7168.3000111.4E287 T288 A291 D324 L325E287-I322 HydrophobicContact CB-CD1 3.67Å; E287-I322 HydrophobicContact CB-CG1 4.35Å; T288-I322 PolarHBondContact OG1-N 3.1Å; T288-I322 VanDerWaalsContact OG1-N 3.13Å; A291-I322 HydrophobicContact CB-CG1 4.41Å; I322-D324 PolarHBondContact O-N 2.61Å; I322-L325 WeakPolarHBondContact O-CB 3.36Å; I322-L325 PolarHBondContact O-N 3.22Å
323Q87.6Confident81.6Confident159 Ų15969.1 Ų69.174%0.74339%0.388SS*.G310 helixtrans-65.4-18.7178.667.2-17625.600113.7L321 L325L321-Q323 HydrophobicContact CB-CG 3.99Å; L321-Q323 PolarHBondContact O-N 2.8Å; Q323-L325 VanDerWaalsContact C-N 3.29Å
324D86.9Confident79.5Confident32 Ų3270.9 Ų70.917%0.17140%0.399CS..G310 helixtrans-80.4-14.1175.5-57.6-44.7000110.9W310 L311 A315 V320 L321 I322W310-D324 WeakPolarHBondContact CH2-O 3.39Å; W310-D324 WeakPolarHBondContact CZ3-O 3.26Å; L311-D324 HydrophobicContact CD2-CB 4.25Å; L311-D324 WeakPolarHBondContact CD2-O 3.36Å; A315-D324 HydrophobicContact CB-CB 4.36Å; V320-D324 HydrophobicContact CG1-CB 3.98Å; L321-D324 PolarHBondContact N-OD2 3.36Å; L321-D324 WeakPolarHBondContact O-CB 3.49Å; L321-D324 PolarHBondContact O-N 2.68Å; I322-D324 PolarHBondContact O-N 2.61Å
325L89.3Confident77.2Confident10 Ų1068.6 Ų68.65%0.05240%0.398CS..SBendtrans-72.1135.4-179.8-62.1-178.6000111.4T288 A291 L292 L311 I322 Q323 G327 L329 F330T288-L325 HydrophobicContact CG2-CD1 3.93Å; T288-L325 HydrophobicContact CG2-CD2 3.91Å; T288-L325 HydrophobicContact CG2-CG 4Å; A291-L325 HydrophobicContact CB-CD1 4.37Å; L292-L325 HydrophobicContact CD2-CD1 4.1Å; L292-L325 HydrophobicContact CD2-CD2 3.85Å; L292-L325 HydrophobicContact CG-CD1 4.5Å; L311-L325 HydrophobicContact CD1-CD2 3.91Å; L311-L325 HydrophobicContact CD2-CD2 4.06Å; I322-L325 WeakPolarHBondContact O-CB 3.36Å; I322-L325 PolarHBondContact O-N 3.22Å; Q323-L325 VanDerWaalsContact C-N 3.29Å; L325-G327 PolarHBondContact O-N 3.35Å; L325-L329 HydrophobicContact CB-CD1 4.4Å; L325-F330 HydrophobicContact CB-CE2 3.97Å; L325-F330 HydrophobicContact CB-CZ 4.27Å; L325-F330 HydrophobicContact CD1-CZ 3.98Å
326P87Confident75.3Confident26 Ų2675.2 Ų75.217%0.16943%0.428CS..  trans-54.9131.5174.5-24.630.9000112.4W310 E328 L329W310-P326 HydrophobicContact CD2-CG 3.87Å; W310-P326 HydrophobicContact CE3-CG 3.62Å; W310-P326 HydrophobicContact CH2-CG 3.96Å; W310-P326 HydrophobicContact CZ2-CG 4.14Å; W310-P326 HydrophobicContact CZ3-CG 3.72Å; P326-E328 PolarHBondContact O-N 2.97Å; P326-L329 HydrophobicContact CB-CD1 4.41Å; P326-L329 HydrophobicContact CB-CG 4.29Å; P326-L329 HydrophobicContact CG-CD1 4.29Å; P326-L329 WeakPolarHBondContact O-CB 3.5Å; P326-L329 PolarHBondContact O-N 3.39Å; P326-L329 VanDerWaalsContact O-N 3.12Å
327G83.1Confident73.3Confident45 Ų4575.9 Ų75.946%0.46443%0.426SS..THydrogen-bonded Turntrans-56.9-34-179.800000113.9L325 L329 F330 E331L325-G327 PolarHBondContact O-N 3.35Å; G327-L329 PolarHBondContact O-N 3.41Å; G327-L329 VanDerWaalsContact O-N 3.11Å; G327-F330 PolarHBondContact O-N 2.86Å; G327-E331 PolarHBondContact O-N 3.48Å
328E84.3Confident71.2Confident148 Ų14880.3 Ų80.369%0.69245%0.447SS*.Hα-helixtrans-56.5-28178.4-62.3174.9-168.900113.2P326 F330 E331 S332P326-E328 PolarHBondContact O-N 2.97Å; E328-F330 PolarHBondContact O-N 3.29Å; E328-E331 PolarHBondContact O-N 2.95Å; E328-S332 PolarHBondContact O-N 3.49Å; E328-S332 PolarHBondContact O-OG 3.2Å
329L85.1Confident69Low13 Ų1381.6 Ų81.67%0.06846%0.464CS..Hα-helixtrans-63.7-30.8176.6-66.6176.9000112L295 W297 T307 L325 P326 G327L295-L329 HydrophobicContact CD1-CB 3.93Å; L295-L329 HydrophobicContact CD1-CD1 4.2Å; L295-L329 WeakPolarHBondContact CD2-O 3.31Å; W297-L329 HydrophobicContact CH2-CD1 4.46Å; W297-L329 HydrophobicContact CH2-CD2 4.22Å; W297-L329 HydrophobicContact CZ3-CD2 3.88Å; T307-L329 HydrophobicContact CG2-CD1 3.71Å; L325-L329 HydrophobicContact CB-CD1 4.4Å; P326-L329 HydrophobicContact CB-CD1 4.41Å; P326-L329 HydrophobicContact CB-CG 4.29Å; P326-L329 HydrophobicContact CG-CD1 4.29Å; P326-L329 WeakPolarHBondContact O-CB 3.5Å; P326-L329 PolarHBondContact O-N 3.39Å; P326-L329 VanDerWaalsContact O-N 3.12Å; G327-L329 PolarHBondContact O-N 3.41Å; G327-L329 VanDerWaalsContact O-N 3.11Å
330F81.6Confident66.4Low87 Ų8786.6 Ų86.638%0.38249%0.487SS..Hα-helixtrans-88-31.5179.9-59.1-79.1000112.1L295 L325 G327 E328 S332 T333L295-F330 HydrophobicContact CD2-CD1 3.96Å; L295-F330 HydrophobicContact CD2-CE1 4.08Å; L325-F330 HydrophobicContact CB-CE2 3.97Å; L325-F330 HydrophobicContact CB-CZ 4.27Å; L325-F330 HydrophobicContact CD1-CZ 3.98Å; G327-F330 PolarHBondContact O-N 2.86Å; E328-F330 PolarHBondContact O-N 3.29Å; F330-S332 VanDerWaalsContact C-N 3.31Å; F330-S332 PolarHBondContact O-N 2.9Å; F330-T333 PolarHBondContact O-OG1 3.34Å
331E66.6Low64.1Low138 Ų13895 Ų9565%0.64553%0.529SS*.Hα-helixtrans-67.8-30179.2-66.2-178.3176.800113G327 E328 T333 V334G327-E331 PolarHBondContact O-N 3.48Å; E328-E331 PolarHBondContact O-N 2.95Å; E331-T333 PolarHBondContact O-N 3.49Å; E331-V334 PolarHBondContact O-N 3.07Å; E331-V334 VanDerWaalsContact O-N 3.14Å
332S55.3Low62.1Low44 Ų44100.4 Ų100.431%0.30855%0.552SS.*THydrogen-bonded Turntrans-61.6-9.4-178.6-58.90000114.3E328 F330 V334E328-S332 PolarHBondContact O-N 3.49Å; E328-S332 PolarHBondContact O-OG 3.2Å; F330-S332 VanDerWaalsContact C-N 3.31Å; F330-S332 PolarHBondContact O-N 2.9Å; S332-V334 VanDerWaalsContact C-N 3.3Å
333T50.2Low60.1Low96 Ų96103.3 Ų103.359%0.58958%0.575SS**THydrogen-bonded Turntrans-79-9176.653.90000114.2F330 E331F330-T333 PolarHBondContact O-OG1 3.34Å; E331-T333 PolarHBondContact O-N 3.49Å
334V44.5Very low58.8Low132 Ų132100.5 Ų100.580%0.857%0.566SS**SBendtrans-115.2-13.3-170.9-169.90000113.7E331 S332E331-V334 PolarHBondContact O-N 3.07Å; E331-V334 VanDerWaalsContact O-N 3.14Å; S332-V334 VanDerWaalsContact C-N 3.3Å
335A39.8Very low58.3Low67 Ų67101.8 Ų101.855%0.55458%0.577SS**SBendtrans-112.7-4.8-160.100000118.7
336E43.6Very low58.1Low146 Ų146110.1 Ų110.168%0.68261%0.608SS**SBendtrans-117.65.6-170.7-75.4-173.916300117.4T338E336-T338 VanDerWaalsContact C-N 3.28Å; E336-T338 PolarHBondContact O-N 3.3Å
337S37.1Very low58Low116 Ų116111 Ų11181%0.81162%0.618SS**  trans-84.14.9171-54.60000114.2S339S337-S339 PolarHBondContact O-N 2.93Å
338T33.9Very low57.9Low129 Ų129111.2 Ų111.279%0.79161%0.61SS**  trans-85.627.6-179.430.20000115.1E336E336-T338 VanDerWaalsContact C-N 3.28Å; E336-T338 PolarHBondContact O-N 3.3Å
339S38.4Very low58Low103 Ų103108.6 Ų108.672%0.7260%0.6SS**SBendtrans-109.383168-630000111.1S337 M341S337-S339 PolarHBondContact O-N 2.93Å; S339-M341 PolarHBondContact O-N 3.34Å
340Q34.4Very low58.2Low197 Ų197111.6 Ų111.692%0.92162%0.616SS**SBendtrans55.337149.4-60.1-175.3-900119.5
341M39.6Very low58.5Low178 Ų178109.8 Ų109.888%0.87762%0.617SS**SBendtrans-124142154.9-69.6-172.4-161.900109.4S339S339-M341 PolarHBondContact O-N 3.34Å
342Q47.4Very low59.4Low177 Ų177107.2 Ų107.283%0.82761%0.605SS**  trans-42.6143.5-168.6-70.5168.2-29.900112.6D344Q342-D344 PolarHBondContact O-N 2.88Å
343P46.5Very low61.1Low126 Ų126108.7 Ų108.782%0.81860%0.604SS**PPolyproline II helixtrans-51.411817922.7-32000108.2S345P343-S345 PolarHBondContact O-N 3.27Å
344D59.6Low63Low101 Ų101105.4 Ų105.454%0.5459%0.587SS.*PPolyproline II helixtrans-47.4121.8175.4-89.2-40.7000107.5Q342 W346 L349Q342-D344 PolarHBondContact O-N 2.88Å; D344-W346 PolarHBondContact O-N 3.25Å; D344-L349 HydrophobicContact CB-CG 4.5Å
345S78Confident65Low59 Ų59103.4 Ų103.441%0.41357%0.571SS.*PPolyproline II helixtrans-55.8142178.482.10000107.8P343 A347 T348 L349P343-S345 PolarHBondContact O-N 3.27Å; S345-A347 PolarHBondContact O-N 2.78Å; S345-A347 WeakPolarHBondContact OG-CB 3.35Å; S345-A347 PolarHBondContact OG-N 2.82Å; S345-T348 WeakPolarHBondContact O-CA 3.37Å; S345-T348 VanDerWaalsContact O-CB 3.28Å; S345-T348 WeakPolarHBondContact O-CB 3.26Å; S345-T348 PolarHBondContact O-N 2.96Å; S345-T348 PolarHBondContact O-OG1 3.08Å; S345-T348 PolarHBondContact OG-N 3.09Å; S345-T348 VanDerWaalsContact OG-N 3.16Å; S345-T348 PolarHBondContact OG-OG1 2.85Å; S345-L349 PolarHBondContact O-N 2.96Å
346W84Confident67.3Low184 Ų184108 Ų10870%0.69757%0.574SS**Hα-helixtrans-53.3-25.5175.365.1-92.3000111.7D344 L349 L350D344-W346 PolarHBondContact O-N 3.25Å; W346-L349 PolarHBondContact O-N 3.22Å; W346-L350 HydrophobicContact CE3-CD2 4.34Å; W346-L350 HydrophobicContact CZ3-CD2 3.8Å; W346-L350 VanDerWaalsContact O-CB 3.31Å; W346-L350 WeakPolarHBondContact O-CB 3.14Å; W346-L350 PolarHBondContact O-N 3.43Å
347A84.2Confident69.3Low46 Ų46101.6 Ų101.638%0.3855%0.546SS..Hα-helixtrans-66.2-35.5172.900000112.8S345 L350 A351S345-A347 PolarHBondContact O-N 2.78Å; S345-A347 WeakPolarHBondContact OG-CB 3.35Å; S345-A347 PolarHBondContact OG-N 2.82Å; A347-L350 PolarHBondContact O-N 2.79Å; A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3.42Å
348T81.9Confident71.8Confident49 Ų49101 Ų10130%0.30153%0.533SS..Hα-helixtrans-65.6-45.9173.4-46.60000110.9S345 L350 A351 Q352S345-T348 WeakPolarHBondContact O-CA 3.37Å; S345-T348 VanDerWaalsContact O-CB 3.28Å; S345-T348 WeakPolarHBondContact O-CB 3.26Å; S345-T348 PolarHBondContact O-N 2.96Å; S345-T348 PolarHBondContact O-OG1 3.08Å; S345-T348 PolarHBondContact OG-N 3.09Å; S345-T348 VanDerWaalsContact OG-N 3.16Å; S345-T348 PolarHBondContact OG-OG1 2.85Å; T348-L350 VanDerWaalsContact C-N 3.33Å; T348-L350 PolarHBondContact O-N 2.84Å; T348-A351 PolarHBondContact O-N 3.39Å; T348-Q352 WeakPolarHBondContact O-CG 3.36Å; T348-Q352 PolarHBondContact O-N 2.85Å
349L86.1Confident74.3Confident92 Ų92102.8 Ų102.848%0.48253%0.532SS..Hα-helixtrans-64.1-39.8176.4-66.4174.6000111.6D344 S345 W346 Q352 W353D344-L349 HydrophobicContact CB-CG 4.5Å; S345-L349 PolarHBondContact O-N 2.96Å; W346-L349 PolarHBondContact O-N 3.22Å; L349-Q352 PolarHBondContact O-N 3.05Å; L349-W353 PolarHBondContact O-N 3.5Å
350L88.8Confident76.7Confident77 Ų77101.4 Ų101.440%0.40352%0.523SS..Hα-helixtrans-64.4-41.1174.4-176.165.9000111.7W346 A347 T348 W353 A354W346-L350 HydrophobicContact CE3-CD2 4.34Å; W346-L350 HydrophobicContact CZ3-CD2 3.8Å; W346-L350 VanDerWaalsContact O-CB 3.31Å; W346-L350 WeakPolarHBondContact O-CB 3.14Å; W346-L350 PolarHBondContact O-N 3.43Å; A347-L350 PolarHBondContact O-N 2.79Å; T348-L350 VanDerWaalsContact C-N 3.33Å; T348-L350 PolarHBondContact O-N 2.84Å; L350-W353 HydrophobicContact CD1-CE3 3.82Å; L350-W353 HydrophobicContact CD1-CZ3 4.19Å; L350-W353 PolarHBondContact O-N 3.03Å; L350-A354 WeakPolarHBondContact O-CB 3.23Å; L350-A354 PolarHBondContact O-N 2.7Å
351A87.8Confident79.1Confident48 Ų4894.7 Ų94.740%0.39751%0.506SS..Hα-helixtrans-63.2-46.6175.700000111.4A347 T348 W353 A354 D355A347-A351 WeakPolarHBondContact O-CB 3.48Å; A347-A351 PolarHBondContact O-N 3.42Å; T348-A351 PolarHBondContact O-N 3.39Å; A351-W353 VanDerWaalsContact C-N 3.28Å; A351-W353 PolarHBondContact O-N 2.78Å; A351-A354 PolarHBondContact O-N 3.23Å; A351-A354 VanDerWaalsContact O-N 3.15Å; A351-D355 PolarHBondContact O-N 3.5Å
352Q87Confident81.2Confident85 Ų8591 Ų9140%0.39749%0.486SS..Hα-helixtrans-62.2-33.6176.1-71.5174.46.200113.2T348 L349 R356T348-Q352 WeakPolarHBondContact O-CG 3.36Å; T348-Q352 PolarHBondContact O-N 2.85Å; L349-Q352 PolarHBondContact O-N 3.05Å; Q352-R356 WeakPolarHBondContact O-CG 3.43Å; Q352-R356 PolarHBondContact O-N 2.82Å; Q352-R356 PolarHBondContact O-NE 3.49Å
353W90.7Very high83.1Confident75 Ų7590.5 Ų90.528%0.28448%0.484SS..Hα-helixtrans-69.8-47.2172.116883.6000111.1L349 L350 A351 D355 R356 A357 L365 A369L349-W353 PolarHBondContact O-N 3.5Å; L350-W353 HydrophobicContact CD1-CE3 3.82Å; L350-W353 HydrophobicContact CD1-CZ3 4.19Å; L350-W353 PolarHBondContact O-N 3.03Å; A351-W353 VanDerWaalsContact C-N 3.28Å; A351-W353 PolarHBondContact O-N 2.78Å; W353-D355 VanDerWaalsContact C-N 3.34Å; W353-D355 PolarHBondContact O-N 3.49Å; W353-R356 PolarHBondContact O-N 3.4Å; W353-A357 WeakPolarHBondContact O-CB 3.2Å; W353-A357 PolarHBondContact O-N 2.87Å; W353-L365 HydrophobicContact CH2-CB 4.07Å; W353-L365 HydrophobicContact CH2-CD2 3.56Å; W353-L365 HydrophobicContact CH2-CG 4.45Å; W353-L365 HydrophobicContact CZ2-CD2 3.93Å; W353-L365 HydrophobicContact CZ3-CB 4.36Å; W353-L365 HydrophobicContact CZ3-CD2 4.07Å; W353-A369 HydrophobicContact CH2-CB 3.81Å; W353-A369 HydrophobicContact CZ3-CB 3.9Å
354A88.7Confident84.9Confident27 Ų2790.5 Ų90.522%0.22348%0.478CS..Hα-helixtrans-60.5-43.5179.900000111.5L350 A351 A357 L358L350-A354 WeakPolarHBondContact O-CB 3.23Å; L350-A354 PolarHBondContact O-N 2.7Å; A351-A354 PolarHBondContact O-N 3.23Å; A351-A354 VanDerWaalsContact O-N 3.15Å; A354-A357 PolarHBondContact O-N 2.83Å; A354-L358 WeakPolarHBondContact O-CB 3.2Å; A354-L358 VanDerWaalsContact O-CG 3.27Å; A354-L358 WeakPolarHBondContact O-CG 3.35Å; A354-L358 PolarHBondContact O-N 3.17Å
355D86.7Confident86.3Confident90 Ų9087 Ų8748%0.48146%0.459SS..Hα-helixtrans-58.3-50.8174.6-80.4-29.1000110.8A351 W353 A357 L358 H359A351-D355 PolarHBondContact O-N 3.5Å; W353-D355 VanDerWaalsContact C-N 3.34Å; W353-D355 PolarHBondContact O-N 3.49Å; D355-A357 VanDerWaalsContact C-N 3.33Å; D355-A357 PolarHBondContact O-N 3.44Å; D355-L358 PolarHBondContact O-N 2.7Å; D355-H359 WeakPolarHBondContact O-CB 3.44Å; D355-H359 PolarHBondContact O-N 3.28Å; D355-H359 PolarHBondContact O-ND1 2.78Å
356R88.4Confident86.8Confident163 Ų16390.4 Ų90.462%0.61547%0.472SS*.Hα-helixtrans-60-41.7178.7-80.6-178.9-83.4158.3-14112.9Q352 W353 S360Q352-R356 WeakPolarHBondContact O-CG 3.43Å; Q352-R356 PolarHBondContact O-N 2.82Å; Q352-R356 PolarHBondContact O-NE 3.49Å; W353-R356 PolarHBondContact O-N 3.4Å; R356-S360 PolarHBondContact O-N 2.94Å; R356-S360 PolarHBondContact O-OG 3.38Å
357A86.6Confident87.1Confident11 Ų1185.7 Ų85.79%0.09147%0.467CS..Hα-helixtrans-71.8-38.4-17800000111.6W353 A354 D355 S360 G361 H362 L365W353-A357 WeakPolarHBondContact O-CB 3.2Å; W353-A357 PolarHBondContact O-N 2.87Å; A354-A357 PolarHBondContact O-N 2.83Å; D355-A357 VanDerWaalsContact C-N 3.33Å; D355-A357 PolarHBondContact O-N 3.44Å; A357-S360 WeakPolarHBondContact CA-OG 3.44Å; A357-S360 PolarHBondContact O-N 3.23Å; A357-S360 PolarHBondContact O-OG 3.24Å; A357-G361 PolarHBondContact O-N 3.1Å; A357-H362 HydrophobicContact CB-CB 4.34Å; A357-H362 VanDerWaalsContact O-CB 3.3Å; A357-H362 WeakPolarHBondContact O-CB 3.2Å; A357-H362 PolarHBondContact O-N 3.36Å; A357-H362 PolarHBondContact O-ND1 2.87Å; A357-L365 HydrophobicContact CB-CD2 3.26Å
358L88.4Confident87.1Confident103 Ų10388.3 Ų88.354%0.53947%0.471SS..Hα-helixtrans-63.4-45171.7-74.1170.8000112.4A354 D355 S360 G361 L365A354-L358 WeakPolarHBondContact O-CB 3.2Å; A354-L358 VanDerWaalsContact O-CG 3.27Å; A354-L358 WeakPolarHBondContact O-CG 3.35Å; A354-L358 PolarHBondContact O-N 3.17Å; D355-L358 PolarHBondContact O-N 2.7Å; L358-S360 PolarHBondContact O-N 3.45Å; L358-G361 PolarHBondContact O-N 3.18Å; L358-L365 HydrophobicContact CD1-CD1 4.35Å; L358-L365 HydrophobicContact CD2-CD1 3.38Å; L358-L365 HydrophobicContact CG-CD1 3.5Å
359H87Confident87.5Confident167 Ų16787.2 Ų87.277%0.77347%0.467SS*.Hα-helixtrans-65.1-22.5178.6-75.883.2000113.1D355 G361D355-H359 WeakPolarHBondContact O-CB 3.44Å; D355-H359 PolarHBondContact O-N 3.28Å; D355-H359 PolarHBondContact O-ND1 2.78Å; H359-G361 VanDerWaalsContact C-N 3.33Å
360S88Confident87.8Confident75 Ų7587.1 Ų87.152%0.52446%0.464SS..THydrogen-bonded Turntrans-89.44.717448.70000113.9R356 A357 L358 H362R356-S360 PolarHBondContact O-N 2.94Å; R356-S360 PolarHBondContact O-OG 3.38Å; A357-S360 WeakPolarHBondContact CA-OG 3.44Å; A357-S360 PolarHBondContact O-N 3.23Å; A357-S360 PolarHBondContact O-OG 3.24Å; L358-S360 PolarHBondContact O-N 3.45Å; S360-H362 PolarHBondContact OG-CE1 3.27Å; S360-H362 PolarHBondContact OG-ND1 3.47Å
361G85.1Confident87.9Confident55 Ų5585.7 Ų85.757%0.56746%0.459SS*.THydrogen-bonded Turntrans81.612.6177.200000114.9A357 L358 H359A357-G361 PolarHBondContact O-N 3.1Å; L358-G361 PolarHBondContact O-N 3.18Å; H359-G361 VanDerWaalsContact C-N 3.33Å
362H85.1Confident88Confident100 Ų10087.8 Ų87.846%0.46346%0.461SS..  trans-66.6138.7174.6-6876.1000110.5A357 S360 L365A357-H362 HydrophobicContact CB-CB 4.34Å; A357-H362 VanDerWaalsContact O-CB 3.3Å; A357-H362 WeakPolarHBondContact O-CB 3.2Å; A357-H362 PolarHBondContact O-N 3.36Å; A357-H362 PolarHBondContact O-ND1 2.87Å; S360-H362 PolarHBondContact OG-CE1 3.27Å; S360-H362 PolarHBondContact OG-ND1 3.47Å; H362-L365 HydrophobicContact CB-CD2 4.29Å
363Q85.5Confident88.2Confident167 Ų16788.2 Ų88.278%0.7847%0.465SS*.  trans-118.1160.5176-61.6-176.2600109.5L365Q363-L365 VanDerWaalsContact C-N 3.33Å; Q363-L365 PolarHBondContact O-N 3.41Å
364N86Confident88.3Confident127 Ų12785.8 Ų85.868%0.67946%0.457SS*.  trans60.433.9179.7-58.2-39.3000115.1L366 S367N364-L366 PolarHBondContact O-N 2.93Å; N364-S367 WeakPolarHBondContact O-CB 3.11Å; N364-S367 PolarHBondContact O-N 3.05Å; N364-S367 PolarHBondContact O-OG 2.99Å
365L87.6Confident88.5Confident27 Ų2789 Ų8914%0.14146%0.464CS..Hα-helixtrans-47.2-37.2-179.8-71152.4000114.7W353 A357 L358 H362 Q363 S367 E368 A369W353-L365 HydrophobicContact CH2-CB 4.07Å; W353-L365 HydrophobicContact CH2-CD2 3.56Å; W353-L365 HydrophobicContact CH2-CG 4.45Å; W353-L365 HydrophobicContact CZ2-CD2 3.93Å; W353-L365 HydrophobicContact CZ3-CB 4.36Å; W353-L365 HydrophobicContact CZ3-CD2 4.07Å; A357-L365 HydrophobicContact CB-CD2 3.26Å; L358-L365 HydrophobicContact CD1-CD1 4.35Å; L358-L365 HydrophobicContact CD2-CD1 3.38Å; L358-L365 HydrophobicContact CG-CD1 3.5Å; H362-L365 HydrophobicContact CB-CD2 4.29Å; Q363-L365 VanDerWaalsContact C-N 3.33Å; Q363-L365 PolarHBondContact O-N 3.41Å; L365-S367 VanDerWaalsContact C-N 3.26Å; L365-S367 PolarHBondContact O-N 3.04Å; L365-E368 PolarHBondContact O-N 2.84Å; L365-E368 VanDerWaalsContact O-N 3.14Å; L365-A369 WeakPolarHBondContact O-CB 3.35Å; L365-A369 PolarHBondContact O-N 3.24Å
366L89.4Confident88.7Confident131 Ų13188.4 Ų88.469%0.68646%0.463SS*.Hα-helixtrans-62.3-34.6179.8-170.466.4000112.3N364 E368 Q370N364-L366 PolarHBondContact O-N 2.93Å; L366-E368 VanDerWaalsContact C-N 3.25Å; L366-E368 PolarHBondContact O-N 3.21Å; L366-Q370 VanDerWaalsContact O-CB 3.22Å; L366-Q370 WeakPolarHBondContact O-CB 3.36Å; L366-Q370 PolarHBondContact O-N 2.66Å
367S89.1Confident88.9Confident85 Ų8584.6 Ų84.659%0.59446%0.455SS*.Hα-helixtrans-69.7-22.8178.268.70000113.2N364 L365 P371N364-S367 WeakPolarHBondContact O-CB 3.11Å; N364-S367 PolarHBondContact O-N 3.05Å; N364-S367 PolarHBondContact O-OG 2.99Å; L365-S367 VanDerWaalsContact C-N 3.26Å; L365-S367 PolarHBondContact O-N 3.04Å; S367-P371 WeakPolarHBondContact O-CD 3.3Å; S367-P371 WeakPolarHBondContact O-CG 3.21Å
368E86Confident89.2Confident101 Ų10184 Ų8447%0.47245%0.45SS..Hα-helixtrans-87.6-46173.2-173.9-175.7165.200111.2L365 L366 P371L365-E368 PolarHBondContact O-N 2.84Å; L365-E368 VanDerWaalsContact O-N 3.14Å; L366-E368 VanDerWaalsContact C-N 3.25Å; L366-E368 PolarHBondContact O-N 3.21Å; E368-P371 WeakPolarHBondContact O-CD 3.17Å
369A89.9Confident89.3Confident25 Ų2581.9 Ų81.921%0.20744%0.441CS..Hα-helixtrans-68.8-38.8-175.600000113.1W353 L365 E372 L373W353-A369 HydrophobicContact CH2-CB 3.81Å; W353-A369 HydrophobicContact CZ3-CB 3.9Å; L365-A369 WeakPolarHBondContact O-CB 3.35Å; L365-A369 PolarHBondContact O-N 3.24Å; A369-E372 PolarHBondContact O-N 3.37Å; A369-L373 WeakPolarHBondContact O-CB 3.4Å; A369-L373 PolarHBondContact O-N 3.2Å
370Q91.6Very high89.5Confident90 Ų9078 Ų7842%0.42143%0.43SS..Hα-helixtrans-65.2-48.9-173.6-179.5-179.3-9.600112.9L366 E372 L373 E374L366-Q370 VanDerWaalsContact O-CB 3.22Å; L366-Q370 WeakPolarHBondContact O-CB 3.36Å; L366-Q370 PolarHBondContact O-N 2.66Å; Q370-E372 VanDerWaalsContact C-N 3.32Å; Q370-E372 PolarHBondContact O-N 3.19Å; Q370-L373 PolarHBondContact O-N 3.22Å; Q370-E374 HydrophobicContact CG-CG 4.47Å; Q370-E374 PolarHBondContact NE2-OE1 2.92Å; Q370-E374 VanDerWaalsContact NE2-OE1 3.09Å; Q370-E374 WeakPolarHBondContact O-CG 3.34Å; Q370-E374 PolarHBondContact O-N 2.96Å
371P91.1Very high89.7Confident48 Ų4874.9 Ų74.931%0.31241%0.408SS..Hα-helixtrans-59.4-39.1176-25.535.3000113.5S367 E368 E374 R375 L410S367-P371 WeakPolarHBondContact O-CD 3.3Å; S367-P371 WeakPolarHBondContact O-CG 3.21Å; E368-P371 WeakPolarHBondContact O-CD 3.17Å; P371-E374 PolarHBondContact O-N 3.04Å; P371-R375 WeakPolarHBondContact O-CB 3.42Å; P371-R375 PolarHBondContact O-N 2.89Å; P371-L410 HydrophobicContact CB-CD2 3.87Å
372E89.6Confident90Very high92 Ų9273.9 Ų73.943%0.4339%0.389SS..Hα-helixtrans-69-40.6178.7-78.5-58.1135.900112.4A369 Q370 R375 T376A369-E372 PolarHBondContact O-N 3.37Å; Q370-E372 VanDerWaalsContact C-N 3.32Å; Q370-E372 PolarHBondContact O-N 3.19Å; E372-R375 PolarHBondContact O-N 3.39Å; E372-R375 IonicContact OE1-CZ 3.46Å; E372-R375 IonicContact OE1-NH1 2.95Å; E372-R375 PolarHBondContact OE1-NH1 3.37Å; E372-T376 VanDerWaalsContact O-CB 3.3Å; E372-T376 WeakPolarHBondContact O-CB 3.24Å; E372-T376 PolarHBondContact O-N 2.92Å; E372-T376 PolarHBondContact O-OG1 2.71Å
373L92.1Very high90.3Very high93 Ų9378.6 Ų78.649%0.48740%0.403SS..Hα-helixtrans-60.1-49.9172.6-179.169.2000110.9A369 Q370 T376 L377A369-L373 WeakPolarHBondContact O-CB 3.4Å; A369-L373 PolarHBondContact O-N 3.2Å; Q370-L373 PolarHBondContact O-N 3.22Å; L373-T376 PolarHBondContact O-N 3.41Å; L373-L377 HydrophobicContact CD1-CD1 4.21Å; L373-L377 HydrophobicContact CG-CD1 4.14Å; L373-L377 WeakPolarHBondContact O-CB 3.46Å; L373-L377 WeakPolarHBondContact O-CG 3.41Å; L373-L377 PolarHBondContact O-N 3.29Å
374E92.2Very high90.6Very high25 Ų2577.6 Ų77.612%0.11740%0.398CS..Hα-helixtrans-61.5-45.5179.5-71.7179.5179.300111.4Q370 P371 T376 L377 L378 W398 K406 L410Q370-E374 HydrophobicContact CG-CG 4.47Å; Q370-E374 PolarHBondContact NE2-OE1 2.92Å; Q370-E374 VanDerWaalsContact NE2-OE1 3.09Å; Q370-E374 WeakPolarHBondContact O-CG 3.34Å; Q370-E374 PolarHBondContact O-N 2.96Å; P371-E374 PolarHBondContact O-N 3.04Å; E374-T376 PolarHBondContact O-N 2.81Å; E374-L377 PolarHBondContact O-N 3.4Å; E374-L378 VanDerWaalsContact O-CB 3.25Å; E374-L378 WeakPolarHBondContact O-CB 3.04Å; E374-L378 WeakPolarHBondContact O-CD1 3.32Å; E374-L378 WeakPolarHBondContact O-CG 3.32Å; E374-L378 PolarHBondContact O-N 2.82Å; E374-W398 HydrophobicContact CG-CH2 4.47Å; E374-K406 WeakPolarHBondContact OE1-CE 3.49Å; E374-K406 IonicContact OE1-NZ 2.71Å; E374-K406 PolarHBondContact OE1-NZ 3.33Å; E374-K406 WeakPolarHBondContact OE2-CD 2.72Å; E374-K406 VanDerWaalsContact OE2-CE 3.26Å; E374-K406 WeakPolarHBondContact OE2-CE 3.27Å; E374-K406 IonicContact OE2-NZ 2.82Å; E374-K406 PolarHBondContact OE2-NZ 2.98Å; E374-L410 HydrophobicContact CB-CD1 3.85Å
375R92.7Very high90.9Very high94 Ų9472.1 Ų72.136%0.35537%0.37SS..Hα-helixtrans-60.1-45177.2175.5178.9-73.8159.3-5.7112P371 E372 T379 L410 M412P371-R375 WeakPolarHBondContact O-CB 3.42Å; P371-R375 PolarHBondContact O-N 2.89Å; E372-R375 PolarHBondContact O-N 3.39Å; E372-R375 IonicContact OE1-CZ 3.46Å; E372-R375 IonicContact OE1-NH1 2.95Å; E372-R375 PolarHBondContact OE1-NH1 3.37Å; R375-T379 VanDerWaalsContact O-CB 3.3Å; R375-T379 WeakPolarHBondContact O-CB 3.33Å; R375-T379 PolarHBondContact O-N 2.69Å; R375-T379 PolarHBondContact O-OG1 3.21Å; R375-L410 HydrophobicContact CB-CD1 4.46Å; R375-L410 PolarHBondContact NH2-O 3.26Å; R375-M412 HydrophobicContact CB-CE 4.27Å; R375-M412 HydrophobicContact CB-SD 4.42Å; R375-M412 HydrophobicContact CG-CE 4.28Å; R375-M412 HydrophobicContact CG-SD 3.79Å
376T91.1Very high90.8Very high77 Ų7779.1 Ų79.147%0.47240%0.401SS..Hα-helixtrans-63.8-46.9180-60.30000111E372 L373 E374 T379 T380E372-T376 VanDerWaalsContact O-CB 3.3Å; E372-T376 WeakPolarHBondContact O-CB 3.24Å; E372-T376 PolarHBondContact O-N 2.92Å; E372-T376 PolarHBondContact O-OG1 2.71Å; L373-T376 PolarHBondContact O-N 3.41Å; E374-T376 PolarHBondContact O-N 2.81Å; T376-T379 PolarHBondContact O-N 2.83Å; T376-T380 WeakPolarHBondContact O-CB 3.25Å; T376-T380 PolarHBondContact O-N 3.16Å; T376-T380 PolarHBondContact O-OG1 3.14Å
377L92.7Very high90.7Very high83 Ų8374.9 Ų74.944%0.43539%0.389SS..Hα-helixtrans-65.6-43.7178.6-71.2175.3000112L373 E374 T380 A381 L396L373-L377 HydrophobicContact CD1-CD1 4.21Å; L373-L377 HydrophobicContact CG-CD1 4.14Å; L373-L377 WeakPolarHBondContact O-CB 3.46Å; L373-L377 WeakPolarHBondContact O-CG 3.41Å; L373-L377 PolarHBondContact O-N 3.29Å; E374-L377 PolarHBondContact O-N 3.4Å; L377-T380 PolarHBondContact O-N 2.93Å; L377-A381 VanDerWaalsContact O-CB 3.31Å; L377-A381 WeakPolarHBondContact O-CB 3.42Å; L377-A381 PolarHBondContact O-N 2.92Å; L377-L396 HydrophobicContact CB-CD2 3.96Å
378L92.5Very high90.7Very high0 Ų077 Ų770%039%0.389CS..Hα-helixtrans-59.8-49.2175.1-88.7157.1000112.2E374 T380 A381 L382 L396 W398 L403 K406 L407 L410 M412E374-L378 VanDerWaalsContact O-CB 3.25Å; E374-L378 WeakPolarHBondContact O-CB 3.04Å; E374-L378 WeakPolarHBondContact O-CD1 3.32Å; E374-L378 WeakPolarHBondContact O-CG 3.32Å; E374-L378 PolarHBondContact O-N 2.82Å; L378-T380 VanDerWaalsContact C-N 3.3Å; L378-T380 PolarHBondContact O-N 3.03Å; L378-A381 PolarHBondContact O-N 3.49Å; L378-L382 WeakPolarHBondContact O-CB 3.3Å; L378-L382 WeakPolarHBondContact O-CG 3.37Å; L378-L382 PolarHBondContact O-N 3.13Å; L378-L396 HydrophobicContact CD2-CD1 4.14Å; L378-L396 HydrophobicContact CG-CD1 4.23Å; L378-W398 HydrophobicContact CD1-CH2 4.06Å; L378-W398 HydrophobicContact CD1-CZ3 3.79Å; L378-W398 HydrophobicContact CD2-CE3 4.49Å; L378-W398 HydrophobicContact CD2-CZ3 3.81Å; L378-W398 HydrophobicContact CG-CH2 4.17Å; L378-W398 HydrophobicContact CG-CZ3 3.73Å; L378-L403 HydrophobicContact CD2-CD1 3.83Å; L378-L403 HydrophobicContact CD2-CG 3.83Å; L378-K406 HydrophobicContact CD1-CB 4.04Å; L378-L407 HydrophobicContact CD2-CD2 4.09Å; L378-L407 HydrophobicContact CD2-CG 4.38Å; L378-L410 HydrophobicContact CD1-CD1 3.57Å; L378-M412 HydrophobicContact CB-CE 3.78Å; L378-M412 HydrophobicContact CD1-CE 3.55Å; L378-M412 HydrophobicContact CG-CE 4.26Å
379T91.8Very high90.9Very high58 Ų5876.5 Ų76.536%0.35639%0.386SS..Hα-helixtrans-60.9-42.7179.6-57.90000110.8R375 T376 R383R375-T379 VanDerWaalsContact O-CB 3.3Å; R375-T379 WeakPolarHBondContact O-CB 3.33Å; R375-T379 PolarHBondContact O-N 2.69Å; R375-T379 PolarHBondContact O-OG1 3.21Å; T376-T379 PolarHBondContact O-N 2.83Å; T379-R383 VanDerWaalsContact O-CB 3.29Å; T379-R383 WeakPolarHBondContact O-CB 3.28Å; T379-R383 PolarHBondContact O-N 2.89Å
380T91.1Very high90.9Very high86 Ų8681.8 Ų81.853%0.52841%0.406SS..Hα-helixtrans-66.5-45.7179-54.90000111.4T376 L377 L378 R383 H384T376-T380 WeakPolarHBondContact O-CB 3.25Å; T376-T380 PolarHBondContact O-N 3.16Å; T376-T380 PolarHBondContact O-OG1 3.14Å; L377-T380 PolarHBondContact O-N 2.93Å; L378-T380 VanDerWaalsContact C-N 3.3Å; L378-T380 PolarHBondContact O-N 3.03Å; T380-R383 PolarHBondContact O-N 3.03Å; T380-H384 VanDerWaalsContact O-CB 3.3Å; T380-H384 WeakPolarHBondContact O-CB 3.41Å; T380-H384 PolarHBondContact O-N 2.85Å
381A91.8Very high90.8Very high8 Ų881 Ų817%0.06640%0.402CS..Hα-helixtrans-64.9-41178.300000112.3L377 L378 H384 T385 A392 L396L377-A381 VanDerWaalsContact O-CB 3.31Å; L377-A381 WeakPolarHBondContact O-CB 3.42Å; L377-A381 PolarHBondContact O-N 2.92Å; L378-A381 PolarHBondContact O-N 3.49Å; A381-H384 PolarHBondContact O-N 3.38Å; A381-T385 WeakPolarHBondContact O-CB 2.89Å; A381-T385 VanDerWaalsContact O-CG2 3.31Å; A381-T385 WeakPolarHBondContact O-CG2 3.44Å; A381-T385 PolarHBondContact O-N 3.24Å; A381-T385 PolarHBondContact O-OG1 3.37Å; A381-A392 HydrophobicContact CB-CB 4.06Å; A381-L396 HydrophobicContact CB-CD1 3.72Å; A381-L396 HydrophobicContact CB-CD2 3.93Å; A381-L396 HydrophobicContact CB-CG 3.69Å
382L90.9Very high90.9Very high34 Ų3478.7 Ų78.718%0.17839%0.388CS..Hα-helixtrans-66.3-41.2175.4-75.3173.3000111.9L378 T385 Q386 G387 K389 A392 L407L378-L382 WeakPolarHBondContact O-CB 3.3Å; L378-L382 WeakPolarHBondContact O-CG 3.37Å; L378-L382 PolarHBondContact O-N 3.13Å; L382-T385 CarbonylContact O-C 3.57Å; L382-T385 PolarHBondContact O-N 2.95Å; L382-T385 PolarHBondContact O-OG1 3.2Å; L382-Q386 PolarHBondContact O-N 3.4Å; L382-Q386 VanDerWaalsContact O-N 3.08Å; L382-G387 PolarHBondContact O-N 3.38Å; L382-K389 HydrophobicContact CD2-CG 4.15Å; L382-A392 HydrophobicContact CD2-CB 3.93Å; L382-A392 HydrophobicContact CG-CB 4.38Å; L382-L407 HydrophobicContact CD1-CD2 3.85Å
383R91.8Very high91Very high199 Ų19974.3 Ų74.375%0.75137%0.367SS*.Hα-helixtrans-62.6-46.2174.9-172.4-177.1-67.3175-0.7111.3T379 T380 T385 Q386T379-R383 VanDerWaalsContact O-CB 3.29Å; T379-R383 WeakPolarHBondContact O-CB 3.28Å; T379-R383 PolarHBondContact O-N 2.89Å; T380-R383 PolarHBondContact O-N 3.03Å; R383-T385 VanDerWaalsContact C-N 3.29Å; R383-T385 PolarHBondContact O-N 3.47Å; R383-Q386 PolarHBondContact O-N 2.99Å
384H91.9Very high91Very high147 Ų14777.4 Ų77.468%0.68137%0.373SS*.Hα-helixtrans-62.1-36.5178.8-178.1-88.8000112.5T380 A381 Q386T380-H384 VanDerWaalsContact O-CB 3.3Å; T380-H384 WeakPolarHBondContact O-CB 3.41Å; T380-H384 PolarHBondContact O-N 2.85Å; A381-H384 PolarHBondContact O-N 3.38Å; H384-Q386 VanDerWaalsContact C-N 3.35Å
385T91.7Very high90.9Very high12 Ų1280.1 Ų80.17%0.07439%0.388CS..THydrogen-bonded Turntrans-9411.4-179.358.90000113.6A381 L382 R383 G387 H388 E391 A392 L395A381-T385 WeakPolarHBondContact O-CB 2.89Å; A381-T385 VanDerWaalsContact O-CG2 3.31Å; A381-T385 WeakPolarHBondContact O-CG2 3.44Å; A381-T385 PolarHBondContact O-N 3.24Å; A381-T385 PolarHBondContact O-OG1 3.37Å; L382-T385 CarbonylContact O-C 3.57Å; L382-T385 PolarHBondContact O-N 2.95Å; L382-T385 PolarHBondContact O-OG1 3.2Å; R383-T385 VanDerWaalsContact C-N 3.29Å; R383-T385 PolarHBondContact O-N 3.47Å; T385-G387 PolarHBondContact O-N 3.1Å; T385-G387 VanDerWaalsContact O-N 3.16Å; T385-H388 VanDerWaalsContact O-CB 3.3Å; T385-H388 WeakPolarHBondContact O-CB 3.13Å; T385-H388 PolarHBondContact O-N 2.97Å; T385-E391 HydrophobicContact CG2-CB 3.97Å; T385-E391 HydrophobicContact CG2-CG 3.7Å; T385-A392 HydrophobicContact CG2-CB 4.38Å; T385-L395 HydrophobicContact CG2-CD1 3.44Å; T385-L395 VanDerWaalsContact CG2-CD1 3.44Å
386Q86.7Confident90.9Very high173 Ų17377.7 Ų77.781%0.80838%0.381SS*.THydrogen-bonded Turntrans51.437.4-178.6-58.7-176.7-7.700113.2L382 R383 H384L382-Q386 PolarHBondContact O-N 3.4Å; L382-Q386 VanDerWaalsContact O-N 3.08Å; R383-Q386 PolarHBondContact O-N 2.99Å; H384-Q386 VanDerWaalsContact C-N 3.35Å
387G86.4Confident90.9Very high42 Ų4277.3 Ų77.343%0.43339%0.393SS..THydrogen-bonded Turntrans85.61.9179.900000115.2L382 T385 K389L382-G387 PolarHBondContact O-N 3.38Å; T385-G387 PolarHBondContact O-N 3.1Å; T385-G387 VanDerWaalsContact O-N 3.16Å; G387-K389 PolarHBondContact O-N 3.05Å
388H89.7Confident90.8Very high129 Ų12976.7 Ų76.760%0.59738%0.384SS*.  trans-71.788.8177.3-66.7177.3000112T385 Q390 E391 A392T385-H388 VanDerWaalsContact O-CB 3.3Å; T385-H388 WeakPolarHBondContact O-CB 3.13Å; T385-H388 PolarHBondContact O-N 2.97Å; H388-Q390 VanDerWaalsContact C-N 3.27Å; H388-Q390 PolarHBondContact O-N 3.14Å; H388-Q390 VanDerWaalsContact O-N 3.11Å; H388-E391 HydrophobicContact CB-CB 4.21Å; H388-E391 PolarHBondContact O-N 3.4Å; H388-A392 PolarHBondContact O-N 2.75Å
389K90.4Very high90.7Very high92 Ų9278.7 Ų78.740%0.441%0.406SS..Hα-helixtrans-51-38-175.2-65.1-172.7-180-173.80114.7L382 G387 A393 L403 L407L382-K389 HydrophobicContact CD2-CG 4.15Å; G387-K389 PolarHBondContact O-N 3.05Å; K389-A393 WeakPolarHBondContact O-CB 3.49Å; K389-A393 PolarHBondContact O-N 2.78Å; K389-L403 HydrophobicContact CB-CD2 3.95Å; K389-L403 HydrophobicContact CG-CD2 4.27Å; K389-L407 HydrophobicContact CD-CD1 4.12Å
390Q89.4Confident90.3Very high135 Ų13583.7 Ų83.763%0.63142%0.418SS*.Hα-helixtrans-70.3-38.9-179.7-174.6170.1-600112.2H388 A393 R394H388-Q390 VanDerWaalsContact C-N 3.27Å; H388-Q390 PolarHBondContact O-N 3.14Å; H388-Q390 VanDerWaalsContact O-N 3.11Å; Q390-A393 PolarHBondContact O-N 2.86Å; Q390-R394 PolarHBondContact O-N 2.87Å; Q390-R394 VanDerWaalsContact O-N 3.09Å
391E89.6Confident90.2Very high73 Ų7386 Ų8634%0.34143%0.427SS..Hα-helixtrans-73.7-39.2177-173.262.1-175.800110.8T385 H388 A393 R394 L395T385-E391 HydrophobicContact CG2-CB 3.97Å; T385-E391 HydrophobicContact CG2-CG 3.7Å; H388-E391 HydrophobicContact CB-CB 4.21Å; H388-E391 PolarHBondContact O-N 3.4Å; E391-A393 VanDerWaalsContact C-N 3.28Å; E391-A393 PolarHBondContact O-N 3.42Å; E391-R394 WeakPolarHBondContact O-CB 3.43Å; E391-R394 PolarHBondContact O-N 3.47Å; E391-R394 VanDerWaalsContact O-N 3.16Å; E391-R394 IonicContact OE1-CZ 3.38Å; E391-R394 IonicContact OE1-NE 3.26Å; E391-R394 PolarHBondContact OE1-NE 3.18Å; E391-R394 IonicContact OE1-NH2 2.67Å; E391-R394 PolarHBondContact OE1-NH2 3.3Å; E391-R394 IonicContact OE2-CZ 3.77Å; E391-R394 IonicContact OE2-NE 2.88Å; E391-R394 PolarHBondContact OE2-NE 2.69Å; E391-R394 IonicContact OE2-NH2 3.8Å; E391-L395 WeakPolarHBondContact O-CG 3.45Å; E391-L395 PolarHBondContact O-N 3.15Å
392A92.1Very high90.2Very high0 Ų088 Ų880%044%0.439CS..Hα-helixtrans-57.6-43.2172.400000111.4A381 L382 T385 H388 L395 L396 L403A381-A392 HydrophobicContact CB-CB 4.06Å; L382-A392 HydrophobicContact CD2-CB 3.93Å; L382-A392 HydrophobicContact CG-CB 4.38Å; T385-A392 HydrophobicContact CG2-CB 4.38Å; H388-A392 PolarHBondContact O-N 2.75Å; A392-L395 PolarHBondContact O-N 2.99Å; A392-L396 WeakPolarHBondContact O-CG 3.49Å; A392-L396 PolarHBondContact O-N 3.21Å; A392-L403 HydrophobicContact CB-CD1 3.93Å
393A92.8Very high90.1Very high1 Ų186.5 Ų86.51%0.00843%0.43CS..Hα-helixtrans-61.8-4617700000110.8K389 Q390 E391 L395 L396 G397 W398 L403K389-A393 WeakPolarHBondContact O-CB 3.49Å; K389-A393 PolarHBondContact O-N 2.78Å; Q390-A393 PolarHBondContact O-N 2.86Å; E391-A393 VanDerWaalsContact C-N 3.28Å; E391-A393 PolarHBondContact O-N 3.42Å; A393-L395 PolarHBondContact O-N 2.89Å; A393-L396 PolarHBondContact O-N 3.21Å; A393-G397 PolarHBondContact O-N 2.98Å; A393-G397 VanDerWaalsContact O-N 3.13Å; A393-W398 CarbonylContact C-O 3.58Å; A393-W398 VanDerWaalsContact C-O 3.27Å; A393-W398 WeakPolarHBondContact CB-O 3.42Å; A393-W398 PolarHBondContact O-N 3.5Å; A393-W398 VanDerWaalsContact O-O 3.05Å; A393-L403 HydrophobicContact CB-CB 3.87Å; A393-L403 HydrophobicContact CB-CD1 3.77Å; A393-L403 HydrophobicContact CB-CG 4.37Å
394R92Very high90Very high158 Ų15879.9 Ų79.960%0.59641%0.412SS*.Hα-helixtrans-59.1-44.4177.2-167.3-174.87483.70.2112.1Q390 E391 L396 G397Q390-R394 PolarHBondContact O-N 2.87Å; Q390-R394 VanDerWaalsContact O-N 3.09Å; E391-R394 WeakPolarHBondContact O-CB 3.43Å; E391-R394 PolarHBondContact O-N 3.47Å; E391-R394 VanDerWaalsContact O-N 3.16Å; E391-R394 IonicContact OE1-CZ 3.38Å; E391-R394 IonicContact OE1-NE 3.26Å; E391-R394 PolarHBondContact OE1-NE 3.18Å; E391-R394 IonicContact OE1-NH2 2.67Å; E391-R394 PolarHBondContact OE1-NH2 3.3Å; E391-R394 IonicContact OE2-CZ 3.77Å; E391-R394 IonicContact OE2-NE 2.88Å; E391-R394 PolarHBondContact OE2-NE 2.69Å; E391-R394 IonicContact OE2-NH2 3.8Å; R394-L396 VanDerWaalsContact C-N 3.33Å; R394-L396 PolarHBondContact O-N 3.19Å; R394-G397 PolarHBondContact O-N 3.41Å
395L90.5Very high89.9Confident82 Ų8279.5 Ų79.543%0.42941%0.405SS..Hα-helixtrans-66.1-34.1179.3-69178.5000112.8T385 E391 A392 A393 G397T385-L395 HydrophobicContact CG2-CD1 3.44Å; T385-L395 VanDerWaalsContact CG2-CD1 3.44Å; E391-L395 WeakPolarHBondContact O-CG 3.45Å; E391-L395 PolarHBondContact O-N 3.15Å; A392-L395 PolarHBondContact O-N 2.99Å; A393-L395 PolarHBondContact O-N 2.89Å; L395-G397 VanDerWaalsContact C-N 3.28Å
396L91.9Very high89.9Confident42 Ų4280.3 Ų80.322%0.2241%0.407CS..THydrogen-bonded Turntrans-82.3-2175.8-66.3175.9000113.5L377 L378 A381 A392 A393 R394 W398 L403L377-L396 HydrophobicContact CB-CD2 3.96Å; L378-L396 HydrophobicContact CD2-CD1 4.14Å; L378-L396 HydrophobicContact CG-CD1 4.23Å; A381-L396 HydrophobicContact CB-CD1 3.72Å; A381-L396 HydrophobicContact CB-CD2 3.93Å; A381-L396 HydrophobicContact CB-CG 3.69Å; A392-L396 WeakPolarHBondContact O-CG 3.49Å; A392-L396 PolarHBondContact O-N 3.21Å; A393-L396 PolarHBondContact O-N 3.21Å; R394-L396 VanDerWaalsContact C-N 3.33Å; R394-L396 PolarHBondContact O-N 3.19Å; L396-W398 VanDerWaalsContact C-N 3.28Å; L396-W398 HydrophobicContact CB-CD2 4.25Å; L396-W398 HydrophobicContact CB-CG 4.32Å; L396-W398 HydrophobicContact CD1-CE3 4.2Å; L396-W398 HydrophobicContact CD1-CZ3 4.23Å; L396-W398 PolarHBondContact O-N 2.84Å; L396-L403 HydrophobicContact CD1-CD1 4.41Å
397G91.4Very high90Very high69 Ų6972.1 Ų72.171%0.71137%0.369SS*.THydrogen-bonded Turntrans71.420.8-175.200000113.9A393 R394 L395A393-G397 PolarHBondContact O-N 2.98Å; A393-G397 VanDerWaalsContact O-N 3.13Å; R394-G397 PolarHBondContact O-N 3.41Å; L395-G397 VanDerWaalsContact C-N 3.28Å
398W90.8Very high90.2Very high70 Ų7077.2 Ų77.227%0.26538%0.379SS..  trans-104151.1-179.3-68.3-4.7000112.3E374 L378 A393 L396 T402 L403 K406E374-W398 HydrophobicContact CG-CH2 4.47Å; L378-W398 HydrophobicContact CD1-CH2 4.06Å; L378-W398 HydrophobicContact CD1-CZ3 3.79Å; L378-W398 HydrophobicContact CD2-CE3 4.49Å; L378-W398 HydrophobicContact CD2-CZ3 3.81Å; L378-W398 HydrophobicContact CG-CH2 4.17Å; L378-W398 HydrophobicContact CG-CZ3 3.73Å; A393-W398 CarbonylContact C-O 3.58Å; A393-W398 VanDerWaalsContact C-O 3.27Å; A393-W398 WeakPolarHBondContact CB-O 3.42Å; A393-W398 PolarHBondContact O-N 3.5Å; A393-W398 VanDerWaalsContact O-O 3.05Å; L396-W398 VanDerWaalsContact C-N 3.28Å; L396-W398 HydrophobicContact CB-CD2 4.25Å; L396-W398 HydrophobicContact CB-CG 4.32Å; L396-W398 HydrophobicContact CD1-CE3 4.2Å; L396-W398 HydrophobicContact CD1-CZ3 4.23Å; L396-W398 PolarHBondContact O-N 2.84Å; W398-T402 HydrophobicContact CD2-CG2 4.43Å; W398-T402 HydrophobicContact CG-CG2 4.36Å; W398-L403 HydrophobicContact CE3-CB 4.26Å; W398-K406 HydrophobicContact CH2-CB 4.46Å; W398-K406 HydrophobicContact CH2-CG 4.13Å; W398-K406 HydrophobicContact CZ3-CB 3.96Å; W398-K406 HydrophobicContact CZ3-CG 3.93Å
399G89.1Confident90.2Very high43 Ų4376 Ų7644%0.44337%0.374SS..  trans-72.1151.9164.300000111.4N401 T402 L403G399-N401 PolarHBondContact O-N 3.34Å; G399-T402 WeakPolarHBondContact O-CB 3.47Å; G399-T402 PolarHBondContact O-N 3.33Å; G399-L403 PolarHBondContact O-N 3.02Å; G399-L403 VanDerWaalsContact O-N 3.11Å
400R84.7Confident90Very high163 Ų16372.6 Ų72.662%0.61536%0.36SS*.Hα-helixtrans-50.9-41.4178178.3179.6168.2178.1-3.4113.2L403 T404R400-L403 PolarHBondContact O-N 3.1Å; R400-T404 PolarHBondContact O-N 3.08Å; R400-T404 VanDerWaalsContact O-N 3.1Å; R400-T404 PolarHBondContact O-OG1 3.24Å
401N89.7Confident89.8Confident134 Ų13469.5 Ų69.572%0.71737%0.365SS*.Hα-helixtrans-67.4-37.4-180-66.6-7.9000111.7G399 T404 R405G399-N401 PolarHBondContact O-N 3.34Å; N401-T404 PolarHBondContact O-N 3.35Å; N401-R405 WeakPolarHBondContact O-CB 3.33Å; N401-R405 PolarHBondContact O-N 3.36Å
402T90.5Very high89.3Confident51 Ų5168.2 Ų68.231%0.31336%0.359SS..Hα-helixtrans-65.5-45.9177.3-510000111.2W398 G399 T404 R405 K406W398-T402 HydrophobicContact CD2-CG2 4.43Å; W398-T402 HydrophobicContact CG-CG2 4.36Å; G399-T402 WeakPolarHBondContact O-CB 3.47Å; G399-T402 PolarHBondContact O-N 3.33Å; T402-T404 VanDerWaalsContact C-N 3.32Å; T402-T404 PolarHBondContact O-N 3.12Å; T402-R405 PolarHBondContact O-N 2.93Å; T402-K406 WeakPolarHBondContact O-CB 3.22Å; T402-K406 WeakPolarHBondContact O-CG 3.26Å; T402-K406 PolarHBondContact O-N 3.21Å
403L90Very high88.3Confident1 Ų176.7 Ų76.71%0.00540%0.399CS..Hα-helixtrans-61-42.7177.2-177140000111.5L378 K389 A392 A393 L396 W398 G399 R400 R405 K406 L407L378-L403 HydrophobicContact CD2-CD1 3.83Å; L378-L403 HydrophobicContact CD2-CG 3.83Å; K389-L403 HydrophobicContact CB-CD2 3.95Å; K389-L403 HydrophobicContact CG-CD2 4.27Å; A392-L403 HydrophobicContact CB-CD1 3.93Å; A393-L403 HydrophobicContact CB-CB 3.87Å; A393-L403 HydrophobicContact CB-CD1 3.77Å; A393-L403 HydrophobicContact CB-CG 4.37Å; L396-L403 HydrophobicContact CD1-CD1 4.41Å; W398-L403 HydrophobicContact CE3-CB 4.26Å; G399-L403 PolarHBondContact O-N 3.02Å; G399-L403 VanDerWaalsContact O-N 3.11Å; R400-L403 PolarHBondContact O-N 3.1Å; L403-R405 PolarHBondContact O-N 3.39Å; L403-K406 PolarHBondContact O-N 3.48Å; L403-L407 HydrophobicContact CD2-CD1 3.6Å; L403-L407 HydrophobicContact CD2-CG 4.21Å; L403-L407 WeakPolarHBondContact O-CG 3.21Å; L403-L407 PolarHBondContact O-N 3.23Å
404T88.5Confident88.1Confident61 Ų6180.5 Ų80.537%0.37442%0.418SS..Hα-helixtrans-63.8-42.9178.8-49.60000111.5R400 N401 T402 L407 K408R400-T404 PolarHBondContact O-N 3.08Å; R400-T404 VanDerWaalsContact O-N 3.1Å; R400-T404 PolarHBondContact O-OG1 3.24Å; N401-T404 PolarHBondContact O-N 3.35Å; T402-T404 VanDerWaalsContact C-N 3.32Å; T402-T404 PolarHBondContact O-N 3.12Å; T404-L407 PolarHBondContact O-N 2.75Å; T404-K408 PolarHBondContact O-N 2.91Å
405R91.1Very high87.8Confident138 Ų13876.4 Ų76.452%0.52141%0.409SS..Hα-helixtrans-61.8-43.9175-176.9175.666105.4-7.8111.8N401 T402 L403 K408 E409N401-R405 WeakPolarHBondContact O-CB 3.33Å; N401-R405 PolarHBondContact O-N 3.36Å; T402-R405 PolarHBondContact O-N 2.93Å; L403-R405 PolarHBondContact O-N 3.39Å; R405-K408 PolarHBondContact O-N 3.11Å; R405-E409 HydrophobicContact CG-CG 4.43Å; R405-E409 WeakPolarHBondContact CG-OE1 3.24Å; R405-E409 IonicContact CZ-OE1 3.6Å; R405-E409 IonicContact NE-OE1 3.86Å; R405-E409 IonicContact NH1-OE1 2.74Å; R405-E409 PolarHBondContact NH1-OE1 3.12Å; R405-E409 IonicContact NH1-OE2 3.8Å; R405-E409 WeakPolarHBondContact O-CG 3.48Å; R405-E409 PolarHBondContact O-N 3.22Å
406K90.9Very high87.7Confident29 Ų2976.1 Ų76.113%0.12641%0.408CS..Hα-helixtrans-66.7-37.8179.5-75.4-67.2-172.8179.30113.4E374 L378 W398 T402 L403 K408 E409 L410E374-K406 WeakPolarHBondContact OE1-CE 3.49Å; E374-K406 IonicContact OE1-NZ 2.71Å; E374-K406 PolarHBondContact OE1-NZ 3.33Å; E374-K406 WeakPolarHBondContact OE2-CD 2.72Å; E374-K406 VanDerWaalsContact OE2-CE 3.26Å; E374-K406 WeakPolarHBondContact OE2-CE 3.27Å; E374-K406 IonicContact OE2-NZ 2.82Å; E374-K406 PolarHBondContact OE2-NZ 2.98Å; L378-K406 HydrophobicContact CD1-CB 4.04Å; W398-K406 HydrophobicContact CH2-CB 4.46Å; W398-K406 HydrophobicContact CH2-CG 4.13Å; W398-K406 HydrophobicContact CZ3-CB 3.96Å; W398-K406 HydrophobicContact CZ3-CG 3.93Å; T402-K406 WeakPolarHBondContact O-CB 3.22Å; T402-K406 WeakPolarHBondContact O-CG 3.26Å; T402-K406 PolarHBondContact O-N 3.21Å; L403-K406 PolarHBondContact O-N 3.48Å; K406-K408 VanDerWaalsContact C-N 3.27Å; K406-K408 PolarHBondContact O-N 2.64Å; K406-E409 IonicContact NZ-OE2 2.87Å; K406-E409 PolarHBondContact NZ-OE2 3.21Å; K406-E409 PolarHBondContact O-N 2.77Å; K406-L410 WeakPolarHBondContact O-CB 3.38Å; K406-L410 WeakPolarHBondContact O-CG 3.46Å; K406-L410 PolarHBondContact O-N 3.38Å
407L89Confident87.5Confident2 Ų278.1 Ų78.11%0.0142%0.419CS..Hα-helixtrans-58.9-41.3172.6-74.2174.1000111.8L378 L382 K389 L403 T404 G411 M412L378-L407 HydrophobicContact CD2-CD2 4.09Å; L378-L407 HydrophobicContact CD2-CG 4.38Å; L382-L407 HydrophobicContact CD1-CD2 3.85Å; K389-L407 HydrophobicContact CD-CD1 4.12Å; L403-L407 HydrophobicContact CD2-CD1 3.6Å; L403-L407 HydrophobicContact CD2-CG 4.21Å; L403-L407 WeakPolarHBondContact O-CG 3.21Å; L403-L407 PolarHBondContact O-N 3.23Å; T404-L407 PolarHBondContact O-N 2.75Å; L407-G411 PolarHBondContact O-N 2.99Å; L407-M412 HydrophobicContact CD2-CB 3.84Å; L407-M412 HydrophobicContact CD2-CE 4.21Å; L407-M412 PolarHBondContact O-N 3.47Å
408K90.5Very high87.2Confident148 Ų14878.6 Ų78.664%0.64340%0.401SS*.Hα-helixtrans-71-42.6177.5-166.2174.8-176.5176.70112.9T404 R405 K406 L410 G411T404-K408 PolarHBondContact O-N 2.91Å; R405-K408 PolarHBondContact O-N 3.11Å; K406-K408 VanDerWaalsContact C-N 3.27Å; K406-K408 PolarHBondContact O-N 2.64Å; K408-L410 VanDerWaalsContact C-N 3.29Å; K408-L410 PolarHBondContact O-N 3.42Å; K408-G411 PolarHBondContact O-N 3.07Å
409E88.9Confident87Confident104 Ų10479.2 Ų79.249%0.48641%0.41SS..Hα-helixtrans-61.7-35.7176.9-76.5173.3-170.300112.3R405 K406R405-E409 HydrophobicContact CG-CG 4.43Å; R405-E409 WeakPolarHBondContact CG-OE1 3.24Å; R405-E409 IonicContact CZ-OE1 3.6Å; R405-E409 IonicContact NE-OE1 3.86Å; R405-E409 IonicContact NH1-OE1 2.74Å; R405-E409 PolarHBondContact NH1-OE1 3.12Å; R405-E409 IonicContact NH1-OE2 3.8Å; R405-E409 WeakPolarHBondContact O-CG 3.48Å; R405-E409 PolarHBondContact O-N 3.22Å; K406-E409 IonicContact NZ-OE2 2.87Å; K406-E409 PolarHBondContact NZ-OE2 3.21Å; K406-E409 PolarHBondContact O-N 2.77Å
410L86Confident86.8Confident20 Ų2081.8 Ų81.811%0.10541%0.407CS..THydrogen-bonded Turntrans-94.2-0.8-176.8-65.2169.6000114.6P371 E374 R375 L378 K406 K408 M412P371-L410 HydrophobicContact CB-CD2 3.87Å; E374-L410 HydrophobicContact CB-CD1 3.85Å; R375-L410 HydrophobicContact CB-CD1 4.46Å; R375-L410 PolarHBondContact NH2-O 3.26Å; L378-L410 HydrophobicContact CD1-CD1 3.57Å; K406-L410 WeakPolarHBondContact O-CB 3.38Å; K406-L410 WeakPolarHBondContact O-CG 3.46Å; K406-L410 PolarHBondContact O-N 3.38Å; K408-L410 VanDerWaalsContact C-N 3.29Å; K408-L410 PolarHBondContact O-N 3.42Å; L410-M412 HydrophobicContact CB-CE 3.59Å; L410-M412 HydrophobicContact CB-CG 4.35Å; L410-M412 HydrophobicContact CD1-CE 3.51Å; L410-M412 HydrophobicContact CG-CE 4.2Å
411G85.8Confident87Confident71 Ų7175.5 Ų75.573%0.73239%0.391SS*.THydrogen-bonded Turntrans70.634.1178.900000114.8L407 K408L407-G411 PolarHBondContact O-N 2.99Å; K408-G411 PolarHBondContact O-N 3.07Å
412M80.1Confident86.8Confident45 Ų4570.7 Ų70.722%0.22236%0.364CS..  trans-112.131.7-175.3-64.1-170.8-78.700113.7R375 L378 L407 L410R375-M412 HydrophobicContact CB-CE 4.27Å; R375-M412 HydrophobicContact CB-SD 4.42Å; R375-M412 HydrophobicContact CG-CE 4.28Å; R375-M412 HydrophobicContact CG-SD 3.79Å; L378-M412 HydrophobicContact CB-CE 3.78Å; L378-M412 HydrophobicContact CD1-CE 3.55Å; L378-M412 HydrophobicContact CG-CE 4.26Å; L407-M412 HydrophobicContact CD2-CB 3.84Å; L407-M412 HydrophobicContact CD2-CE 4.21Å; L407-M412 PolarHBondContact O-N 3.47Å; L410-M412 HydrophobicContact CB-CE 3.59Å; L410-M412 HydrophobicContact CB-CG 4.35Å; L410-M412 HydrophobicContact CD1-CE 3.51Å; L410-M412 HydrophobicContact CG-CE 4.2Å
413E69.8Low86.4Confident178 Ų17872.5 Ų72.583%0.83237%0.369SS*.  trans-71.90-178.8-78.5-168.3157.700114.7

Retrieved 413 of 413 residues in 239.6 ms (Link to these results)

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