A0A087XLC0_POEFO Loading...

DALR anticodon binding domain containing 3

AlphaFold DB , UniProt , Accession A0A087XLC0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 573 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
1M31.6Very low51.9Low241 Ų241139.5 Ų139.5100%1.18770%0.7SS**  088.20-107.3-179-78.800105.1E3M1-E3 PolarHBondContact O-N 2.88Å
2E27.8Very low55.4Low193 Ų193129.5 Ų129.590%0.90265%0.648SS**  trans-72.3108.9170.8-73.616715500105.7N4E2-N4 PolarHBondContact O-N 3.21Å
3E29Very low58.4Low181 Ų181120.7 Ų120.785%0.84660%0.604SS**  trans-61.8109164.6-78.3-179.7157.400106.3M1 I5M1-E3 PolarHBondContact O-N 2.88Å; E3-I5 VanDerWaalsContact C-N 3.26Å; E3-I5 PolarHBondContact O-N 2.92Å
4N28.5Very low60.8Low156 Ų156117.2 Ų117.283%0.83459%0.593SS**  trans-52.998.7161.9-93.4-22.6000106.9E2 E6E2-N4 PolarHBondContact O-N 3.21Å; N4-E6 PolarHBondContact O-N 2.88Å
5I36.9Very low62.9Low155 Ų155111.7 Ų111.780%0.79557%0.569SS**  trans-64.891.1160.1-58.9173.8000103.6E3 E7E3-I5 VanDerWaalsContact C-N 3.26Å; E3-I5 PolarHBondContact O-N 2.92Å; I5-E7 PolarHBondContact O-N 2.85Å
6E40.7Very low64.8Low162 Ų162104.8 Ų104.876%0.75753%0.534SS*.  trans-50.8111.8161-87.6-175.1157.700105.5N4 L8N4-E6 PolarHBondContact O-N 2.88Å; E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.19Å
7E45.6Very low66.5Low184 Ų184100.7 Ų100.786%0.8652%0.515SS*.  trans-56100.2176.4-138175.3-172.200106.9I5 S9I5-E7 PolarHBondContact O-N 2.85Å; E7-S9 PolarHBondContact O-N 3.41Å
8L63.4Low68Low155 Ų155104.2 Ų104.281%0.81252%0.521SS*.  trans-65.1101.3-170.3-79.7166.1000108.2E6E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.19Å
9S83.1Confident69.2Low63 Ų63100.1 Ų100.144%0.44150%0.504SS..PPolyproline II helixtrans-59.4138178.4-46.60000109.9E7 L11 G95E7-S9 PolarHBondContact O-N 3.41Å; S9-L11 PolarHBondContact O-N 2.84Å; S9-G95 PolarHBondContact O-N 2.93Å
10P90.9Very high70.4Confident30 Ų3095.1 Ų95.120%0.19548%0.479CS..PPolyproline II helixtrans-58.5140.4-176.421.7-32000111R12 G95 E129 Y130P10-R12 WeakPolarHBondContact O-CG 3.26Å; P10-R12 PolarHBondContact O-N 3.38Å; P10-G95 WeakPolarHBondContact O-CA 3.34Å; P10-E129 HydrophobicContact CB-CB 3.99Å; P10-E129 HydrophobicContact CG-CB 4.06Å; P10-Y130 HydrophobicContact CB-CE1 4.03Å; P10-Y130 HydrophobicContact CB-CE2 4.23Å
11L93.8Very high71.4Confident14 Ų1491.6 Ų91.67%0.07346%0.464CS..PPolyproline II helixtrans-63.6133.1-178.8-58.7179.5000110.4S9 V96 L97 A118 A121 V122 Y130S9-L11 PolarHBondContact O-N 2.84Å; L11-V96 WeakPolarHBondContact CD2-O 3.49Å; L11-L97 HydrophobicContact CB-CD2 4.29Å; L11-L97 HydrophobicContact CB-CG 4.49Å; L11-L97 HydrophobicContact CD1-CD2 3.79Å; L11-A118 HydrophobicContact CD1-CB 4.3Å; L11-A121 HydrophobicContact CD1-CB 3.85Å; L11-A121 HydrophobicContact CG-CB 4.37Å; L11-V122 HydrophobicContact CD1-CG2 4.22Å; L11-Y130 HydrophobicContact CB-CE1 4.16Å; L11-Y130 PolarHBondContact N-OH 3.41Å; L11-Y130 VanDerWaalsContact O-CE1 3.3Å; L11-Y130 WeakPolarHBondContact O-CE1 3.42Å
12R93.5Very high74.2Confident20 Ų2083.7 Ų83.78%0.07543%0.432CS..  trans-132.7140.8-177.6-64.1-59.7-172.7-139.93111.1P10 T16 G95 E129 S486 E487P10-R12 WeakPolarHBondContact O-CG 3.26Å; P10-R12 PolarHBondContact O-N 3.38Å; R12-T16 WeakPolarHBondContact O-CB 3.43Å; R12-T16 PolarHBondContact O-N 3.38Å; R12-T16 VanDerWaalsContact O-N 3.09Å; R12-T16 PolarHBondContact O-OG1 3.49Å; R12-G95 PolarHBondContact N-O 3.01Å; R12-E129 PolarHBondContact NH1-O 3.22Å; R12-E129 PolarHBondContact NH2-O 3.26Å; R12-S486 PolarHBondContact NE-OG 3.19Å; R12-S486 PolarHBondContact NH1-OG 3.1Å; R12-S486 PolarHBondContact NH2-OG 3.39Å; R12-E487 WeakPolarHBondContact CB-OE1 3.49Å
13I94.4Very high77.2Confident15 Ų1574.8 Ų74.88%0.07739%0.391CS..Hα-helixtrans-69.2-43.5178.2-59.3-53000110.1T16 V17 K52 F64 L97 F479 I483 P484 E487I13-T16 WeakPolarHBondContact O-CB 3.45Å; I13-T16 PolarHBondContact O-N 2.73Å; I13-V17 HydrophobicContact CG2-CG2 4.19Å; I13-V17 WeakPolarHBondContact O-CB 3.49Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 2.91Å; I13-K52 HydrophobicContact CB-CD 4.38Å; I13-K52 HydrophobicContact CD1-CD 3.83Å; I13-K52 HydrophobicContact CG1-CD 3.86Å; I13-K52 HydrophobicContact CG2-CB 4.3Å; I13-K52 HydrophobicContact CG2-CD 3.6Å; I13-K52 HydrophobicContact CG2-CG 4.47Å; I13-F64 HydrophobicContact CD1-CZ 4.45Å; I13-F64 HydrophobicContact CG2-CE1 4.44Å; I13-L97 HydrophobicContact CD1-CD1 3.75Å; I13-F479 HydrophobicContact CD1-CD2 4.33Å; I13-F479 HydrophobicContact CD1-CE2 3.85Å; I13-F479 HydrophobicContact CD1-CZ 4.45Å; I13-I483 HydrophobicContact CD1-CG2 3.67Å; I13-I483 HydrophobicContact CG1-CG2 3.98Å; I13-P484 HydrophobicContact CG1-CB 4.08Å; I13-E487 WeakPolarHBondContact CB-OE2 3.13Å; I13-E487 PolarHBondContact N-OE1 3.44Å; I13-E487 VanDerWaalsContact N-OE1 3.13Å; I13-E487 PolarHBondContact N-OE2 3.42Å
14T91.8Very high80.1Confident72 Ų7266.1 Ų66.144%0.44235%0.351SS..Hα-helixtrans-62.8-45.3-179.557.30000111.9T16 V17 R18 E487T14-T16 VanDerWaalsContact C-N 3.34Å; T14-T16 PolarHBondContact O-N 3.16Å; T14-V17 PolarHBondContact O-N 2.87Å; T14-R18 WeakPolarHBondContact O-CB 3.34Å; T14-R18 PolarHBondContact O-N 3.46Å; T14-E487 VanDerWaalsContact CB-OE1 3.22Å; T14-E487 WeakPolarHBondContact CB-OE1 3.38Å; T14-E487 VanDerWaalsContact CG2-OE1 3.27Å; T14-E487 WeakPolarHBondContact CG2-OE1 3.48Å; T14-E487 PolarHBondContact N-OE1 3.48Å; T14-E487 PolarHBondContact OG1-OE1 3.27Å
15S92Very high82.9Confident34 Ų3464.1 Ų64.124%0.23833%0.332CS..Hα-helixtrans-61.2-43.2174.5-61.40000111.6R18 A19S15-R18 PolarHBondContact O-N 2.9Å; S15-A19 WeakPolarHBondContact O-CB 3.39Å; S15-A19 PolarHBondContact O-N 3.39Å
16T94.4Very high84.5Confident2 Ų257.6 Ų57.61%0.01230%0.303CS..Hα-helixtrans-61.1-51.1175.9-580000111.3R12 I13 T14 R18 A19 L20 F64 V96 L97R12-T16 WeakPolarHBondContact O-CB 3.43Å; R12-T16 PolarHBondContact O-N 3.38Å; R12-T16 VanDerWaalsContact O-N 3.09Å; R12-T16 PolarHBondContact O-OG1 3.49Å; I13-T16 WeakPolarHBondContact O-CB 3.45Å; I13-T16 PolarHBondContact O-N 2.73Å; T14-T16 VanDerWaalsContact C-N 3.34Å; T14-T16 PolarHBondContact O-N 3.16Å; T16-R18 VanDerWaalsContact C-N 3.3Å; T16-R18 PolarHBondContact O-N 2.91Å; T16-A19 PolarHBondContact O-N 2.99Å; T16-L20 HydrophobicContact CG2-CD1 3.89Å; T16-L20 HydrophobicContact CG2-CG 4.24Å; T16-L20 WeakPolarHBondContact O-CB 3.34Å; T16-L20 VanDerWaalsContact O-CG 3.22Å; T16-L20 WeakPolarHBondContact O-CG 3.47Å; T16-L20 PolarHBondContact O-N 2.91Å; T16-F64 HydrophobicContact CG2-CE1 4.36Å; T16-F64 HydrophobicContact CG2-CE2 3.97Å; T16-F64 HydrophobicContact CG2-CZ 3.73Å; T16-V96 HydrophobicContact CG2-CG1 4.41Å; T16-L97 HydrophobicContact CG2-CB 3.97Å; T16-L97 HydrophobicContact CG2-CD1 4.19Å; T16-L97 PolarHBondContact OG1-N 3.37Å
17V93.8Very high85.1Confident35 Ų3557.9 Ų57.921%0.21230%0.302CS..Hα-helixtrans-61.5-38.2179.2167.70000111.6I13 T14 S21 W50 F64I13-V17 HydrophobicContact CG2-CG2 4.19Å; I13-V17 WeakPolarHBondContact O-CB 3.49Å; I13-V17 WeakPolarHBondContact O-CG2 3.46Å; I13-V17 PolarHBondContact O-N 2.91Å; T14-V17 PolarHBondContact O-N 2.87Å; V17-S21 VanDerWaalsContact O-CB 3.27Å; V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 2.92Å; V17-S21 PolarHBondContact O-OG 2.83Å; V17-W50 HydrophobicContact CG1-CB 4.28Å; V17-F64 HydrophobicContact CG2-CD1 4.31Å; V17-F64 HydrophobicContact CG2-CE1 3.93Å
18R92Very high84.9Confident164 Ų16461 Ų6162%0.61931%0.305SS*.Hα-helixtrans-64.6-47.7175.7-171.7-173.1-63.3116.3-1.5111.4T14 S15 T16 S21 S22T14-R18 WeakPolarHBondContact O-CB 3.34Å; T14-R18 PolarHBondContact O-N 3.46Å; S15-R18 PolarHBondContact O-N 2.9Å; T16-R18 VanDerWaalsContact C-N 3.3Å; T16-R18 PolarHBondContact O-N 2.91Å; R18-S21 PolarHBondContact O-N 3.1Å; R18-S22 WeakPolarHBondContact O-CB 3.26Å; R18-S22 PolarHBondContact O-N 3.12Å
19A91.9Very high83.3Confident25 Ų2560.1 Ų60.121%0.20730%0.297CS..Hα-helixtrans-62.7-45.1177.900000111.7S15 T16 S21 S22 A23 L91 V96S15-A19 WeakPolarHBondContact O-CB 3.39Å; S15-A19 PolarHBondContact O-N 3.39Å; T16-A19 PolarHBondContact O-N 2.99Å; A19-S21 PolarHBondContact O-N 3.39Å; A19-S22 PolarHBondContact O-N 2.86Å; A19-A23 WeakPolarHBondContact O-CB 3.12Å; A19-A23 PolarHBondContact O-N 3.44Å; A19-L91 HydrophobicContact CB-CD2 4.38Å; A19-V96 HydrophobicContact CB-CG1 4.28Å; A19-V96 HydrophobicContact CB-CG2 3.82Å
20L92.8Very high80.8Confident1 Ų165.6 Ų65.61%0.00532%0.316CS..Hα-helixtrans-59.5-44.1174.2-73.4177.3000112T16 A23 L24 W50 F64 V88 L91 L111T16-L20 HydrophobicContact CG2-CD1 3.89Å; T16-L20 HydrophobicContact CG2-CG 4.24Å; T16-L20 WeakPolarHBondContact O-CB 3.34Å; T16-L20 VanDerWaalsContact O-CG 3.22Å; T16-L20 WeakPolarHBondContact O-CG 3.47Å; T16-L20 PolarHBondContact O-N 2.91Å; L20-A23 PolarHBondContact O-N 3.49Å; L20-L24 VanDerWaalsContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 2.9Å; L20-W50 HydrophobicContact CB-CD2 4.06Å; L20-W50 HydrophobicContact CB-CG 3.97Å; L20-W50 HydrophobicContact CB-CZ2 4.4Å; L20-W50 HydrophobicContact CD1-CD2 4.19Å; L20-W50 HydrophobicContact CD1-CE3 4.38Å; L20-W50 HydrophobicContact CD1-CG 4.4Å; L20-W50 HydrophobicContact CD2-CZ2 4.45Å; L20-W50 PolarHBondContact O-NE1 3.11Å; L20-W50 VanDerWaalsContact O-NE1 3.11Å; L20-F64 HydrophobicContact CD1-CB 4.32Å; L20-F64 HydrophobicContact CD1-CD1 4.15Å; L20-F64 HydrophobicContact CD1-CD2 4.27Å; L20-F64 HydrophobicContact CD1-CG 3.99Å; L20-V88 HydrophobicContact CD2-CG1 4.02Å; L20-L91 HydrophobicContact CD2-CD1 3.63Å; L20-L91 HydrophobicContact CG-CD1 4.33Å; L20-L111 HydrophobicContact CD1-CD1 4.06Å; L20-L111 HydrophobicContact CD2-CD1 3.29Å; L20-L111 HydrophobicContact CG-CD1 4.32Å
21S92.3Very high77.8Confident22 Ų2270.8 Ų70.815%0.15435%0.346CS..Hα-helixtrans-64.7-42.1178.5-60.90000111.5V17 R18 A19 L24 R25V17-S21 VanDerWaalsContact O-CB 3.27Å; V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 2.92Å; V17-S21 PolarHBondContact O-OG 2.83Å; R18-S21 PolarHBondContact O-N 3.1Å; A19-S21 PolarHBondContact O-N 3.39Å; S21-L24 PolarHBondContact O-N 3.17Å; S21-R25 WeakPolarHBondContact O-CG 3.19Å; S21-R25 PolarHBondContact O-N 3.03Å
22S90.5Very high74.7Confident75 Ų7577.4 Ų77.452%0.52438%0.382SS..Hα-helixtrans-64-46.8176.1-175.40000111.7R18 A19 L24 R25 G26R18-S22 WeakPolarHBondContact O-CB 3.26Å; R18-S22 PolarHBondContact O-N 3.12Å; A19-S22 PolarHBondContact O-N 2.86Å; S22-L24 VanDerWaalsContact C-N 3.29Å; S22-L24 PolarHBondContact O-N 3.02Å; S22-R25 PolarHBondContact O-N 2.91Å; S22-G26 PolarHBondContact O-N 3.45Å; S22-G26 VanDerWaalsContact O-N 3.08Å
23A90.4Very high71.5Confident5 Ų579.6 Ų79.64%0.04141%0.411CS..Hα-helixtrans-62.1-37176.100000112.3A19 L20 R87 V88 L91A19-A23 WeakPolarHBondContact O-CB 3.12Å; A19-A23 PolarHBondContact O-N 3.44Å; L20-A23 PolarHBondContact O-N 3.49Å; A23-R87 HydrophobicContact CB-CG 4.16Å; A23-R87 VanDerWaalsContact O-CZ 3.22Å; A23-R87 PolarHBondContact O-NE 3.25Å; A23-R87 PolarHBondContact O-NH2 2.87Å; A23-V88 HydrophobicContact CB-CG2 3.82Å; A23-L91 HydrophobicContact CB-CD1 3.74Å; A23-L91 HydrophobicContact CB-CD2 4.05Å; A23-L91 HydrophobicContact CB-CG 4.07Å
24L89.4Confident68.3Low0 Ų084.7 Ų84.70%045%0.448CS..Hα-helixtrans-74-30.9179-170.265000112.8L20 S21 S22 L49 W50 S66 L71 L74 Y75 V80 V84 L109L20-L24 VanDerWaalsContact O-CB 3.25Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 2.9Å; S21-L24 PolarHBondContact O-N 3.17Å; S22-L24 VanDerWaalsContact C-N 3.29Å; S22-L24 PolarHBondContact O-N 3.02Å; L24-L49 HydrophobicContact CD2-CB 4.24Å; L24-L49 HydrophobicContact CD2-CD1 4.33Å; L24-W50 HydrophobicContact CB-CZ2 4.31Å; L24-W50 HydrophobicContact CD1-CZ2 4.35Å; L24-W50 HydrophobicContact CD2-CZ2 3.93Å; L24-W50 HydrophobicContact CG-CZ2 4.43Å; L24-S66 WeakPolarHBondContact CD2-OG 3.45Å; L24-L71 HydrophobicContact CD1-CD2 4.1Å; L24-L71 HydrophobicContact CD2-CD2 4Å; L24-L74 HydrophobicContact CD2-CD1 4.04Å; L24-L74 HydrophobicContact CG-CD1 3.97Å; L24-Y75 HydrophobicContact CD1-CE2 4.13Å; L24-Y75 PolarHBondContact O-OH 3.02Å; L24-V80 HydrophobicContact CD1-CG1 4.45Å; L24-V84 HydrophobicContact CD1-CG1 4.17Å; L24-L109 HydrophobicContact CD1-CD2 4.13Å
25R87.5Confident65.2Low113 Ų11387 Ų8743%0.42647%0.467SS..Hα-helixtrans-77.5-30.4175.4-70.4179.5-173-86.7-1.9112.8S21 S22 E47 L49 L74S21-R25 WeakPolarHBondContact O-CG 3.19Å; S21-R25 PolarHBondContact O-N 3.03Å; S22-R25 PolarHBondContact O-N 2.91Å; R25-E47 PolarHBondContact NH2-O 3.08Å; R25-L49 HydrophobicContact CG-CD1 3.64Å; R25-L74 HydrophobicContact CG-CD2 4.44Å
26G71.3Confident62.4Low19 Ų1997.6 Ų97.620%0.19650%0.502CS..  trans72.3143.9-168.400000111.9S22 R28 R87S22-G26 PolarHBondContact O-N 3.45Å; S22-G26 VanDerWaalsContact O-N 3.08Å; G26-R28 PolarHBondContact O-N 3.48Å; G26-R87 VanDerWaalsContact CA-CZ 3.49Å
27K52.3Low59Low168 Ų168100.8 Ų100.873%0.7354%0.535SS*.  trans-58.9114.1174.8-76.7-177.8171.2-1780108.7E29K27-E29 HydrophobicContact CB-CG 3.77Å; K27-E29 HydrophobicContact CD-CG 3.98Å; K27-E29 WeakPolarHBondContact CD-OE1 3.39Å; K27-E29 IonicContact NZ-OE1 2.59Å; K27-E29 PolarHBondContact O-N 3.48Å; K27-E29 VanDerWaalsContact O-N 3.15Å
28R41Very low55.7Low248 Ų248108.9 Ų108.994%0.93657%0.567SS**  trans-77.384.5152.8-150.2-179.6-167.4-1754105G26 H30G26-R28 PolarHBondContact O-N 3.48Å; R28-H30 PolarHBondContact O-N 3.21Å
29E30.4Very low52.5Low137 Ų137105.9 Ų105.964%0.6457%0.571SS**  trans-61.9133.2174.1-66.1-168.4154.900108.5K27 V31K27-E29 HydrophobicContact CB-CG 3.77Å; K27-E29 HydrophobicContact CD-CG 3.98Å; K27-E29 WeakPolarHBondContact CD-OE1 3.39Å; K27-E29 IonicContact NZ-OE1 2.59Å; K27-E29 PolarHBondContact O-N 3.48Å; K27-E29 VanDerWaalsContact O-N 3.15Å; E29-V31 PolarHBondContact O-N 3.32Å
30H31.1Very low49.3Very low178 Ų178112.1 Ų112.182%0.82460%0.601SS**  trans-47.3111175.3-94.3-92.4000110.7R28R28-H30 PolarHBondContact O-N 3.21Å
31V26.6Very low46.1Very low139 Ų139121.8 Ų121.884%0.84264%0.638SS**  trans-92.3100.5155.2-178.40000106.2E29 G33E29-V31 PolarHBondContact O-N 3.32Å; V31-G33 PolarHBondContact O-N 2.9Å
32N30Very low42.8Very low154 Ų154129.1 Ų129.182%0.82467%0.671SS**  trans-58.7125.7164.2-94.6-16.3000109.2
33G25.4Very low39.7Very low66 Ų66134.6 Ų134.668%0.6869%0.686SS**  trans177.570.9176.600000112.1V31V31-G33 PolarHBondContact O-N 2.9Å
34S28.3Very low36.8Very low122 Ų122139.9 Ų139.985%0.85372%0.72SS**  trans14.5115.3159.962.60000119.4
35S25.8Very low34.2Very low120 Ų120148.4 Ų148.484%0.83976%0.76SS**  trans-163.4109.4139.6178.20000110
36R33.1Very low32.3Very low256 Ų256148.4 Ų148.497%0.96678%0.775SS**  trans-68.3125.3169.7-103.3172.8159.2175.1-4.8108.8
37G23.4Very low31.6Very low69 Ų69152.4 Ų152.471%0.71179%0.788SS**  trans171.393.8165.500000117.1
38K23.9Very low32.8Very low206 Ų206152 Ų15290%0.89679%0.787SS**  trans63.1139.1142.8-70.4178.3175.2177.20121
39S24.8Very low35Very low100 Ų100140.2 Ų140.270%0.69974%0.742SS**  trans70.586.3172.975.40000116.4R41S39-R41 PolarHBondContact O-N 3.46Å
40D24.3Very low38Very low156 Ų156134 Ų13483%0.83471%0.713SS**  trans-68.184.7157.9-162.611.1000108.3M42D40-M42 PolarHBondContact O-N 2.91Å
41R25.9Very low40.9Very low205 Ų205130.4 Ų130.477%0.77470%0.695SS**  trans-77.3105.1161.3-77.5-176.8177.4176.8-0.4105.3S39 F43S39-R41 PolarHBondContact O-N 3.46Å; R41-F43 WeakPolarHBondContact O-CD2 3.18Å; R41-F43 PolarHBondContact O-N 2.81Å
42M24.4Very low44.2Very low175 Ų175126.1 Ų126.186%0.86267%0.665SS**  trans-40.9108.8166.2-74.918067.200109.2D40D40-M42 PolarHBondContact O-N 2.91Å
43F24.5Very low47.2Very low191 Ų191120.2 Ų120.284%0.83863%0.632SS**  trans-67.2133.5172.2-76.9-89.5000107.9R41R41-F43 WeakPolarHBondContact O-CD2 3.18Å; R41-F43 PolarHBondContact O-N 2.81Å
44P29.9Very low50.3Low115 Ų115120.2 Ų120.275%0.74762%0.622SS**  trans-63.4156174.326.7-30.4000109.8
45E35.3Very low53.1Low179 Ų179116.9 Ų116.984%0.83660%0.598SS**SBendtrans-33.2141.9179.7-74.5-179.2132.900113.8E47E45-E47 PolarHBondContact O-N 2.99Å
46P47.6Very low55.9Low114 Ų114113.4 Ų113.474%0.7458%0.577SS**  trans-56.6114.9-179.623.2-31.9000110.1K48P46-K48 PolarHBondContact O-N 3.47Å
47E55.7Low58.5Low103 Ų103109 Ų10948%0.48157%0.565SS.*  trans-40.1121.7176.2-75.2177.5166.600110.7R25 E45 L49 M70R25-E47 PolarHBondContact NH2-O 3.08Å; E45-E47 PolarHBondContact O-N 2.99Å; E47-L49 VanDerWaalsContact C-N 3.31Å; E47-L49 HydrophobicContact CB-CD2 4.45Å; E47-L49 WeakPolarHBondContact O-CG 3.35Å; E47-L49 PolarHBondContact O-N 3.17Å; E47-M70 HydrophobicContact CB-CE 3.79Å; E47-M70 HydrophobicContact CG-CE 4.46Å
48K77.8Confident61.6Low160 Ų160107.8 Ų107.870%0.69654%0.542SS*.  trans-6490.2176.1-74.2-179.1-178173.30109.4P46 W50 F51P46-K48 PolarHBondContact O-N 3.47Å; K48-W50 PolarHBondContact O-N 3.36Å; K48-F51 WeakPolarHBondContact O-CE2 3.36Å
49L87.6Confident64.8Low0 Ų098.1 Ų98.10%050%0.5CS..  trans-68.5-25.2-178.4-64.7-178.5000112.9L24 R25 E47 S66 M70 L74L24-L49 HydrophobicContact CD2-CB 4.24Å; L24-L49 HydrophobicContact CD2-CD1 4.33Å; R25-L49 HydrophobicContact CG-CD1 3.64Å; E47-L49 VanDerWaalsContact C-N 3.31Å; E47-L49 HydrophobicContact CB-CD2 4.45Å; E47-L49 WeakPolarHBondContact O-CG 3.35Å; E47-L49 PolarHBondContact O-N 3.17Å; L49-S66 WeakPolarHBondContact O-CA 3.45Å; L49-S66 VanDerWaalsContact O-CB 3.28Å; L49-S66 WeakPolarHBondContact O-CB 3.39Å; L49-S66 PolarHBondContact O-OG 2.97Å; L49-M70 HydrophobicContact CD2-CB 4.42Å; L49-M70 HydrophobicContact CD2-CE 3.93Å; L49-L74 HydrophobicContact CD1-CD1 3.83Å; L49-L74 HydrophobicContact CD2-CD1 3.88Å; L49-L74 HydrophobicContact CD2-CG 4.44Å; L49-L74 HydrophobicContact CG-CD1 4.47Å
50W92.9Very high67.7Low7 Ų7101.1 Ų101.13%0.02750%0.496CS..  trans-124.6139.6-174.8-69.294.7000111.7V17 L20 L24 K48 F64 V88 L109 L111V17-W50 HydrophobicContact CG1-CB 4.28Å; L20-W50 HydrophobicContact CB-CD2 4.06Å; L20-W50 HydrophobicContact CB-CG 3.97Å; L20-W50 HydrophobicContact CB-CZ2 4.4Å; L20-W50 HydrophobicContact CD1-CD2 4.19Å; L20-W50 HydrophobicContact CD1-CE3 4.38Å; L20-W50 HydrophobicContact CD1-CG 4.4Å; L20-W50 HydrophobicContact CD2-CZ2 4.45Å; L20-W50 PolarHBondContact O-NE1 3.11Å; L20-W50 VanDerWaalsContact O-NE1 3.11Å; L24-W50 HydrophobicContact CB-CZ2 4.31Å; L24-W50 HydrophobicContact CD1-CZ2 4.35Å; L24-W50 HydrophobicContact CD2-CZ2 3.93Å; L24-W50 HydrophobicContact CG-CZ2 4.43Å; K48-W50 PolarHBondContact O-N 3.36Å; W50-F64 HydrophobicContact CE3-CB 3.98Å; W50-F64 HydrophobicContact CZ3-CB 4.32Å; W50-V88 HydrophobicContact CZ2-CG1 4.48Å; W50-L109 HydrophobicContact CH2-CB 4.44Å; W50-L109 HydrophobicContact CH2-CD2 3.49Å; W50-L109 VanDerWaalsContact CH2-CD2 3.49Å; W50-L109 HydrophobicContact CH2-CG 3.7Å; W50-L109 HydrophobicContact CZ2-CD2 3.94Å; W50-L109 HydrophobicContact CZ3-CG 4.33Å; W50-L111 HydrophobicContact CE3-CD1 4.28Å; W50-L111 HydrophobicContact CH2-CD1 3.25Å; W50-L111 HydrophobicContact CH2-CD2 4.31Å; W50-L111 HydrophobicContact CH2-CG 3.56Å; W50-L111 HydrophobicContact CZ2-CD1 3.99Å; W50-L111 HydrophobicContact CZ3-CB 4.46Å; W50-L111 HydrophobicContact CZ3-CD1 3.45Å; W50-L111 VanDerWaalsContact CZ3-CD1 3.45Å; W50-L111 HydrophobicContact CZ3-CG 3.61Å
51F92.6Very high70.8Confident101 Ų10198.1 Ų98.144%0.44348%0.48SS..EExtended strand (participates in β ladder)trans-117.1125.1175.3-63-97.8000108.9K48 F64 L65 P67 M70K48-F51 WeakPolarHBondContact O-CE2 3.36Å; F51-F64 CarbonylContact O-C 3.5Å; F51-F64 WeakPolarHBondContact O-CA 3.48Å; F51-L65 PolarHBondContact N-O 3.28Å; F51-L65 PolarHBondContact O-N 2.88Å; F51-P67 VanDerWaalsContact CD2-CD 3.48Å; F51-P67 HydrophobicContact CD2-CG 3.72Å; F51-P67 HydrophobicContact CE2-CG 3.68Å; F51-M70 HydrophobicContact CE2-CG 4.43Å
52K94.8Very high74Confident49 Ų4989.6 Ų89.621%0.21345%0.448CS..EExtended strand (participates in β ladder)trans-72.2129.5169.9171.7178176.4-57.60109.3I13 S54 F64 F479 N480I13-K52 HydrophobicContact CB-CD 4.38Å; I13-K52 HydrophobicContact CD1-CD 3.83Å; I13-K52 HydrophobicContact CG1-CD 3.86Å; I13-K52 HydrophobicContact CG2-CB 4.3Å; I13-K52 HydrophobicContact CG2-CD 3.6Å; I13-K52 HydrophobicContact CG2-CG 4.47Å; K52-S54 PolarHBondContact NZ-OG 3.11Å; K52-F64 HydrophobicContact CB-CD1 4.12Å; K52-F64 HydrophobicContact CB-CE1 3.91Å; K52-F64 HydrophobicContact CG-CE1 4.27Å; K52-F479 HydrophobicContact CD-CE1 4.18Å; K52-F479 HydrophobicContact CD-CZ 4.05Å; K52-F479 VanDerWaalsContact CE-O 3.26Å; K52-F479 WeakPolarHBondContact CE-O 3.15Å; K52-F479 HydrophobicContact CG-CE1 3.83Å; K52-F479 HydrophobicContact CG-CZ 3.8Å; K52-N480 PolarHBondContact NZ-OD1 2.94Å
53E93.7Very high77.3Confident30 Ų3081.4 Ų81.414%0.1441%0.408CS..  trans-74.5143.2171.4-173.754.1-103.700110.4S55 N58 L59 R62 D63 F479E53-S55 WeakPolarHBondContact OE1-CB 3.43Å; E53-S55 PolarHBondContact OE1-N 3.36Å; E53-N58 HydrophobicContact CG-CB 3.48Å; E53-N58 VanDerWaalsContact CG-CB 3.48Å; E53-N58 PolarHBondContact OE1-ND2 3.19Å; E53-N58 WeakPolarHBondContact OE2-CB 3.46Å; E53-N58 PolarHBondContact OE2-ND2 3.16Å; E53-L59 HydrophobicContact CB-CD2 3.96Å; E53-L59 HydrophobicContact CG-CD2 3.93Å; E53-L59 HydrophobicContact CG-CG 4.16Å; E53-R62 IonicContact OE2-CZ 2.76Å; E53-R62 IonicContact OE2-NE 3.83Å; E53-R62 IonicContact OE2-NH2 2.96Å; E53-R62 PolarHBondContact OE2-NH2 2.86Å; E53-D63 WeakPolarHBondContact CB-O 3.44Å; E53-D63 PolarHBondContact N-O 2.81Å; E53-F479 WeakPolarHBondContact O-CE1 3.46Å
54S89.3Confident80.7Confident66 Ų6672.4 Ų72.446%0.46237%0.368SS..  trans-134-11.6179.8-56.10000112.6K52 N480K52-S54 PolarHBondContact NZ-OG 3.11Å; S54-N480 PolarHBondContact O-ND2 3.37Å
55S88.9Confident83.8Confident52 Ų5268.3 Ų68.336%0.36434%0.34SS..  trans-82.3127.9177.8175.40000112E53 K57 N58 L59E53-S55 WeakPolarHBondContact OE1-CB 3.43Å; E53-S55 PolarHBondContact OE1-N 3.36Å; S55-K57 PolarHBondContact O-N 2.95Å; S55-K57 VanDerWaalsContact O-N 3.08Å; S55-K57 PolarHBondContact OG-N 3.01Å; S55-N58 PolarHBondContact O-N 3.14Å; S55-L59 WeakPolarHBondContact O-CG 3.29Å; S55-L59 PolarHBondContact O-N 3.47Å
56A84.4Confident86.7Confident48 Ų4859.8 Ų59.840%0.39730%0.3SS..Hα-helixtrans-50.3-35.2173.700000113.5N58 L476A56-N58 VanDerWaalsContact C-N 3.34Å; A56-L476 HydrophobicContact CB-CD1 3.44Å; A56-L476 VanDerWaalsContact CB-CD1 3.44Å
57K86.9Confident88.8Confident164 Ų16455.6 Ų55.671%0.71327%0.273SS*.Hα-helixtrans-65.5-39.6179.5-176.3-178.6177.4-177.20111.7S55S55-K57 PolarHBondContact O-N 2.95Å; S55-K57 VanDerWaalsContact O-N 3.08Å; S55-K57 PolarHBondContact OG-N 3.01Å
58N88.5Confident90.5Very high43 Ų4352.6 Ų52.623%0.2326%0.263CS..Hα-helixtrans-90.4-27.7-172.2-67.3-21.6000112.6E53 S55 A56 R60 N61 R62E53-N58 HydrophobicContact CG-CB 3.48Å; E53-N58 VanDerWaalsContact CG-CB 3.48Å; E53-N58 PolarHBondContact OE1-ND2 3.19Å; E53-N58 WeakPolarHBondContact OE2-CB 3.46Å; E53-N58 PolarHBondContact OE2-ND2 3.16Å; S55-N58 PolarHBondContact O-N 3.14Å; A56-N58 VanDerWaalsContact C-N 3.34Å; N58-R60 PolarHBondContact O-N 2.83Å; N58-R60 VanDerWaalsContact O-N 3.12Å; N58-N61 PolarHBondContact O-N 2.89Å; N58-R62 PolarHBondContact ND2-NH2 2.86Å; N58-R62 VanDerWaalsContact ND2-NH2 3.11Å; N58-R62 PolarHBondContact O-N 3.12Å
59L91.1Very high91Very high2 Ų249.5 Ų49.51%0.0126%0.258CS..Hα-helixtrans-57.3-24.9176.8-74175.5000113.2E53 S55 N61 R62 R115 L476 F479E53-L59 HydrophobicContact CB-CD2 3.96Å; E53-L59 HydrophobicContact CG-CD2 3.93Å; E53-L59 HydrophobicContact CG-CG 4.16Å; S55-L59 WeakPolarHBondContact O-CG 3.29Å; S55-L59 PolarHBondContact O-N 3.47Å; L59-N61 PolarHBondContact O-N 3.41Å; L59-R62 WeakPolarHBondContact CA-O 3.38Å; L59-R115 PolarHBondContact O-NH2 2.96Å; L59-L476 HydrophobicContact CD1-CB 4.01Å; L59-L476 HydrophobicContact CD1-CD1 4.23Å; L59-L476 HydrophobicContact CD1-CG 4.19Å; L59-F479 HydrophobicContact CD2-CD1 3.71Å; L59-F479 HydrophobicContact CD2-CE1 3.79Å
60R86.3Confident91.1Very high164 Ų16451 Ų5162%0.61927%0.265SS*.THydrogen-bonded Turntrans-57.3-31.8170.8-70.4179.1179.3-158.9-3.9113.6N58 E472N58-R60 PolarHBondContact O-N 2.83Å; N58-R60 VanDerWaalsContact O-N 3.12Å; R60-E472 HydrophobicContact CG-CG 3.68Å; R60-E472 PolarHBondContact N-OE2 2.67Å
61N88.3Confident90.9Very high93 Ų9350.7 Ų50.750%0.49726%0.264SS..THydrogen-bonded Turntrans-110.2-30.8-170.4-59.2-28.2000112.3N58 L59N58-N61 PolarHBondContact O-N 2.89Å; L59-N61 PolarHBondContact O-N 3.41Å
62R92.9Very high90.6Very high26 Ų2650.4 Ų50.410%0.09827%0.267CS..  trans-160.6149.2-174.866.7-171.7-174.6-105.1-18.4111.8E53 N58 L59 E107 R110E53-R62 IonicContact OE2-CZ 2.76Å; E53-R62 IonicContact OE2-NE 3.83Å; E53-R62 IonicContact OE2-NH2 2.96Å; E53-R62 PolarHBondContact OE2-NH2 2.86Å; N58-R62 PolarHBondContact ND2-NH2 2.86Å; N58-R62 VanDerWaalsContact ND2-NH2 3.11Å; N58-R62 PolarHBondContact O-N 3.12Å; L59-R62 WeakPolarHBondContact CA-O 3.38Å; R62-E107 IonicContact CZ-OE1 2.82Å; R62-E107 IonicContact NH1-OE1 2.74Å; R62-E107 PolarHBondContact NH1-OE1 2.99Å; R62-R110 HydrophobicContact CB-CB 3.95Å; R62-R110 HydrophobicContact CB-CG 4.22Å
63D95.4Very high90.3Very high2 Ų252 Ų521%0.01128%0.281CS..SBendtrans-106.1-31.3174.5-58.9-55000111.9E53 L111 R112 V113 W475 F479E53-D63 WeakPolarHBondContact CB-O 3.44Å; E53-D63 PolarHBondContact N-O 2.81Å; D63-L111 PolarHBondContact N-O 2.62Å; D63-R112 WeakPolarHBondContact OD2-CA 3.45Å; D63-V113 HydrophobicContact CB-CG2 3.89Å; D63-V113 PolarHBondContact OD2-N 2.91Å; D63-W475 PolarHBondContact OD1-NE1 2.99Å; D63-F479 HydrophobicContact CB-CE1 4.21Å; D63-F479 HydrophobicContact CB-CZ 3.98Å
64F95.6Very high89.9Confident3 Ų352.9 Ų52.91%0.01329%0.286CS..EExtended strand (participates in β ladder)trans-132148.4172.8-61.1-90.4000111I13 T16 V17 L20 W50 F51 K52 L97 L111 V113 F479I13-F64 HydrophobicContact CD1-CZ 4.45Å; I13-F64 HydrophobicContact CG2-CE1 4.44Å; T16-F64 HydrophobicContact CG2-CE1 4.36Å; T16-F64 HydrophobicContact CG2-CE2 3.97Å; T16-F64 HydrophobicContact CG2-CZ 3.73Å; V17-F64 HydrophobicContact CG2-CD1 4.31Å; V17-F64 HydrophobicContact CG2-CE1 3.93Å; L20-F64 HydrophobicContact CD1-CB 4.32Å; L20-F64 HydrophobicContact CD1-CD1 4.15Å; L20-F64 HydrophobicContact CD1-CD2 4.27Å; L20-F64 HydrophobicContact CD1-CG 3.99Å; W50-F64 HydrophobicContact CE3-CB 3.98Å; W50-F64 HydrophobicContact CZ3-CB 4.32Å; F51-F64 CarbonylContact O-C 3.5Å; F51-F64 WeakPolarHBondContact O-CA 3.48Å; K52-F64 HydrophobicContact CB-CD1 4.12Å; K52-F64 HydrophobicContact CB-CE1 3.91Å; K52-F64 HydrophobicContact CG-CE1 4.27Å; F64-L97 HydrophobicContact CE2-CD1 4.05Å; F64-L97 HydrophobicContact CZ-CD1 3.86Å; F64-L111 HydrophobicContact CB-CB 4.3Å; F64-L111 PolarHBondContact N-O 3.25Å; F64-L111 PolarHBondContact O-N 3.49Å; F64-V113 HydrophobicContact CD2-CG2 4.21Å; F64-V113 HydrophobicContact CE2-CG2 3.8Å; F64-F479 HydrophobicContact CE1-CZ 4.43Å; F64-F479 HydrophobicContact CE2-CE2 4.03Å; F64-F479 AromaticContact CE2-CZ 3.86Å; F64-F479 HydrophobicContact CE2-CZ 3.86Å; F64-F479 AromaticContact CZ-CE2 3.97Å; F64-F479 HydrophobicContact CZ-CE2 3.97Å; F64-F479 AromaticContact CZ-CZ 3.8Å; F64-F479 HydrophobicContact CZ-CZ 3.8Å
65L95.1Very high89.8Confident29 Ų2951.5 Ų51.515%0.15227%0.272CS..EExtended strand (participates in β ladder)trans-133129177.3178.565.5000110.2F51 P67 E107 L109 R110F51-L65 PolarHBondContact N-O 3.28Å; F51-L65 PolarHBondContact O-N 2.88Å; L65-P67 HydrophobicContact CG-CG 4.48Å; L65-E107 HydrophobicContact CD1-CG 4.28Å; L65-L109 WeakPolarHBondContact CA-O 3.45Å; L65-R110 HydrophobicContact CD1-CG 4.02Å
66S94.5Very high89.3Confident0 Ų053.1 Ų53.10%029%0.288CS..EExtended strand (participates in β ladder)trans-103.6104161.2171.80000108.1L24 L49 L71 G108 L109L24-S66 WeakPolarHBondContact CD2-OG 3.45Å; L49-S66 WeakPolarHBondContact O-CA 3.45Å; L49-S66 VanDerWaalsContact O-CB 3.28Å; L49-S66 WeakPolarHBondContact O-CB 3.39Å; L49-S66 PolarHBondContact O-OG 2.97Å; S66-L71 VanDerWaalsContact OG-CD2 3.29Å; S66-L71 WeakPolarHBondContact OG-CD2 3.11Å; S66-G108 CarbonylContact O-C 3.43Å; S66-G108 VanDerWaalsContact O-CA 3.25Å; S66-G108 WeakPolarHBondContact O-CA 3.14Å; S66-L109 PolarHBondContact N-O 3.36Å; S66-L109 PolarHBondContact O-N 2.9Å
67P92.9Very high88.8Confident25 Ų2557.8 Ų57.816%0.16231%0.306CS..EExtended strand (participates in β ladder)trans-57.6150.8-175.9-2633.9000112.9F51 L65 T69 M70 L71 E107F51-P67 VanDerWaalsContact CD2-CD 3.48Å; F51-P67 HydrophobicContact CD2-CG 3.72Å; F51-P67 HydrophobicContact CE2-CG 3.68Å; L65-P67 HydrophobicContact CG-CG 4.48Å; P67-T69 PolarHBondContact O-N 3.4Å; P67-M70 HydrophobicContact CB-CG 4.31Å; P67-M70 HydrophobicContact CG-CG 4.32Å; P67-M70 WeakPolarHBondContact O-CB 3.43Å; P67-M70 PolarHBondContact O-N 3.32Å; P67-L71 PolarHBondContact O-N 2.88Å; P67-E107 WeakPolarHBondContact CA-O 3.45Å
68S90.4Very high88.1Confident40 Ų4050.4 Ų50.428%0.2828%0.276SS..Hα-helixtrans-56.6-33.6176.854.90000112.6M70 L71 N72 E107S68-M70 VanDerWaalsContact C-N 3.28Å; S68-M70 PolarHBondContact O-N 3.26Å; S68-L71 PolarHBondContact O-N 2.68Å; S68-L71 VanDerWaalsContact O-N 3.15Å; S68-N72 WeakPolarHBondContact O-CB 3.38Å; S68-N72 PolarHBondContact O-N 3.19Å; S68-N72 PolarHBondContact O-ND2 3.29Å; S68-N72 PolarHBondContact O-OD1 2.82Å; S68-E107 PolarHBondContact N-O 2.84Å
69T89.3Confident87.8Confident95 Ų9555 Ų5558%0.58330%0.297SS*.Hα-helixtrans-58.2-38173.2530000112.9P67P67-T69 PolarHBondContact O-N 3.4Å
70M88.6Confident87.6Confident31 Ų3155.7 Ų55.715%0.15330%0.301CS..Hα-helixtrans-79.2-32176.5-53.8-56.2-68.700111.7E47 L49 F51 P67 S68 N72 T73E47-M70 HydrophobicContact CB-CE 3.79Å; E47-M70 HydrophobicContact CG-CE 4.46Å; L49-M70 HydrophobicContact CD2-CB 4.42Å; L49-M70 HydrophobicContact CD2-CE 3.93Å; F51-M70 HydrophobicContact CE2-CG 4.43Å; P67-M70 HydrophobicContact CB-CG 4.31Å; P67-M70 HydrophobicContact CG-CG 4.32Å; P67-M70 WeakPolarHBondContact O-CB 3.43Å; P67-M70 PolarHBondContact O-N 3.32Å; S68-M70 VanDerWaalsContact C-N 3.28Å; S68-M70 PolarHBondContact O-N 3.26Å; M70-N72 VanDerWaalsContact C-N 3.35Å; M70-T73 PolarHBondContact O-N 3.02Å; M70-T73 PolarHBondContact O-OG1 3.34Å
71L89.1Confident87.8Confident2 Ų250.1 Ų50.11%0.0129%0.286CS..Hα-helixtrans-68.7-37.3175.8-64.8179.7000111.6L24 S66 P67 S68 T73 L74 Y75 V80 L109L24-L71 HydrophobicContact CD1-CD2 4.1Å; L24-L71 HydrophobicContact CD2-CD2 4Å; S66-L71 VanDerWaalsContact OG-CD2 3.29Å; S66-L71 WeakPolarHBondContact OG-CD2 3.11Å; P67-L71 PolarHBondContact O-N 2.88Å; S68-L71 PolarHBondContact O-N 2.68Å; S68-L71 VanDerWaalsContact O-N 3.15Å; L71-T73 PolarHBondContact O-N 2.81Å; L71-L74 PolarHBondContact O-N 3.1Å; L71-Y75 PolarHBondContact O-N 3.1Å; L71-V80 HydrophobicContact CD1-CG2 3.93Å; L71-V80 HydrophobicContact CD2-CG2 3.83Å; L71-V80 HydrophobicContact CG-CG2 4.44Å; L71-L109 HydrophobicContact CD1-CB 3.88Å
72N87.6Confident87.8Confident94 Ų9451.2 Ų51.250%0.50330%0.298SS..Hα-helixtrans-64.7-22.1177.3-69.3-15.2000113S68 M70 L74 G78S68-N72 WeakPolarHBondContact O-CB 3.38Å; S68-N72 PolarHBondContact O-N 3.19Å; S68-N72 PolarHBondContact O-ND2 3.29Å; S68-N72 PolarHBondContact O-OD1 2.82Å; M70-N72 VanDerWaalsContact C-N 3.35Å; N72-L74 VanDerWaalsContact C-N 3.34Å; N72-G78 WeakPolarHBondContact OD1-CA 3.29Å; N72-G78 PolarHBondContact OD1-N 3.32Å; N72-G78 VanDerWaalsContact OD1-N 3.08Å
73T87.1Confident87.7Confident82 Ų8253.5 Ų53.550%0.50332%0.322SS..Hα-helixtrans-78.5-21172.868.70000112.6M70 L71M70-T73 PolarHBondContact O-N 3.02Å; M70-T73 PolarHBondContact O-OG1 3.34Å; L71-T73 PolarHBondContact O-N 2.81Å
74L86Confident87.4Confident49 Ų4954 Ų5426%0.25733%0.326SS..Hα-helixtrans-102.9-33.9-176.5-63.6178.3000113.2L24 R25 L49 L71 N72L24-L74 HydrophobicContact CD2-CD1 4.04Å; L24-L74 HydrophobicContact CG-CD1 3.97Å; R25-L74 HydrophobicContact CG-CD2 4.44Å; L49-L74 HydrophobicContact CD1-CD1 3.83Å; L49-L74 HydrophobicContact CD2-CD1 3.88Å; L49-L74 HydrophobicContact CD2-CG 4.44Å; L49-L74 HydrophobicContact CG-CD1 4.47Å; L71-L74 PolarHBondContact O-N 3.1Å; N72-L74 VanDerWaalsContact C-N 3.34Å
75Y86.8Confident87.2Confident38 Ų3855.3 Ų55.315%0.14933%0.332CS..SBendtrans-136138.3-170.9-58.3-66.5000111.1L24 L71 D77 G78 Q79 V80 P81 V84L24-Y75 HydrophobicContact CD1-CE2 4.13Å; L24-Y75 PolarHBondContact O-OH 3.02Å; L71-Y75 PolarHBondContact O-N 3.1Å; Y75-D77 PolarHBondContact O-N 2.88Å; Y75-G78 PolarHBondContact O-N 2.83Å; Y75-G78 VanDerWaalsContact O-N 3.13Å; Y75-Q79 WeakPolarHBondContact CB-O 3.26Å; Y75-V80 HydrophobicContact CD2-CG2 4.47Å; Y75-P81 VanDerWaalsContact CD1-CD 3.45Å; Y75-P81 HydrophobicContact CD1-CG 3.77Å; Y75-P81 VanDerWaalsContact CE1-CD 3.43Å; Y75-P81 HydrophobicContact CE1-CG 3.71Å; Y75-V84 HydrophobicContact CE1-CG2 4.26Å; Y75-V84 WeakPolarHBondContact OH-CG1 3.34Å; Y75-V84 WeakPolarHBondContact OH-CG2 3.43Å
76A78.6Confident87Confident85 Ų8557.6 Ų57.670%0.70235%0.35SS*.G310 helixtrans-57.8134.1173.100000110.1G78 Q79A76-G78 PolarHBondContact O-N 3.14Å; A76-Q79 PolarHBondContact O-N 3.31Å
77D73.3Confident86.8Confident146 Ų14661.8 Ų61.878%0.78137%0.366SS*.G310 helixtrans56.616-176.8-52.9-42.4000115.3Y75 Q79Y75-D77 PolarHBondContact O-N 2.88Å; D77-Q79 HydrophobicContact CB-CG 4.38Å; D77-Q79 PolarHBondContact O-N 3.32Å
78G72.6Confident86.7Confident9 Ų960.6 Ų60.69%0.09336%0.359CS..G310 helixtrans68.89.5-179.400000114.4N72 Y75 A76 V80N72-G78 WeakPolarHBondContact OD1-CA 3.29Å; N72-G78 PolarHBondContact OD1-N 3.32Å; N72-G78 VanDerWaalsContact OD1-N 3.08Å; Y75-G78 PolarHBondContact O-N 2.83Å; Y75-G78 VanDerWaalsContact O-N 3.13Å; A76-G78 PolarHBondContact O-N 3.14Å; G78-V80 PolarHBondContact O-N 2.79Å
79Q83.1Confident86.8Confident141 Ų14161.4 Ų61.466%0.65936%0.359SS*.  trans-79.2113.2-178.5-65.6-167.610.200110.7Y75 A76 D77 P81Y75-Q79 WeakPolarHBondContact CB-O 3.26Å; A76-Q79 PolarHBondContact O-N 3.31Å; D77-Q79 HydrophobicContact CB-CG 4.38Å; D77-Q79 PolarHBondContact O-N 3.32Å; Q79-P81 VanDerWaalsContact O-CD 3.3Å; Q79-P81 WeakPolarHBondContact O-CD 3.29Å
80V86.3Confident86.9Confident15 Ų1560.2 Ų60.29%0.09136%0.355CS..  trans-73119.5176.8-178.10000109.3L24 L71 Y75 G78 V84 M85 V104 L109L24-V80 HydrophobicContact CD1-CG1 4.45Å; L71-V80 HydrophobicContact CD1-CG2 3.93Å; L71-V80 HydrophobicContact CD2-CG2 3.83Å; L71-V80 HydrophobicContact CG-CG2 4.44Å; Y75-V80 HydrophobicContact CD2-CG2 4.47Å; G78-V80 PolarHBondContact O-N 2.79Å; V80-V84 HydrophobicContact CG1-CB 3.99Å; V80-V84 HydrophobicContact CG1-CG1 3.84Å; V80-M85 HydrophobicContact CG1-CB 4.45Å; V80-V104 HydrophobicContact CB-CG2 4.17Å; V80-V104 HydrophobicContact CG2-CG2 4.19Å; V80-L109 HydrophobicContact CG2-CD2 4.26Å
81P89.9Confident86.9Confident48 Ų4860.1 Ų60.131%0.31236%0.355SS..  trans-59.4143.9-179.2-24.633.6000112.2Y75 Q79 A83 V84 M85Y75-P81 VanDerWaalsContact CD1-CD 3.45Å; Y75-P81 HydrophobicContact CD1-CG 3.77Å; Y75-P81 VanDerWaalsContact CE1-CD 3.43Å; Y75-P81 HydrophobicContact CE1-CG 3.71Å; Q79-P81 VanDerWaalsContact O-CD 3.3Å; Q79-P81 WeakPolarHBondContact O-CD 3.29Å; P81-A83 PolarHBondContact O-N 2.91Å; P81-A83 VanDerWaalsContact O-N 3.14Å; P81-V84 HydrophobicContact CB-CB 4.44Å; P81-V84 HydrophobicContact CB-CG2 3.97Å; P81-V84 HydrophobicContact CG-CG2 4Å; P81-V84 WeakPolarHBondContact O-CA 3.43Å; P81-V84 WeakPolarHBondContact O-CB 3.27Å; P81-V84 PolarHBondContact O-N 3.19Å; P81-M85 PolarHBondContact O-N 3.1Å
82P89.4Confident86.6Confident115 Ų11568.1 Ų68.175%0.74739%0.385SS*.Hα-helixtrans-55.2-36-179-28.535.2000114.1V84 M85 S86P82-V84 VanDerWaalsContact C-N 3.35Å; P82-V84 PolarHBondContact O-N 3.25Å; P82-M85 PolarHBondContact O-N 3.21Å; P82-S86 WeakPolarHBondContact O-CB 3.48Å; P82-S86 PolarHBondContact O-N 3.47Å
83A89.4Confident86.2Confident74 Ų7466 Ų6661%0.61239%0.386SS*.Hα-helixtrans-65.7-35.9176.100000112.8P81 R87P81-A83 PolarHBondContact O-N 2.91Å; P81-A83 VanDerWaalsContact O-N 3.14Å; A83-R87 PolarHBondContact O-N 3.15Å; A83-R87 VanDerWaalsContact O-N 3.09Å
84V89.9Confident86Confident13 Ų1364.7 Ų64.78%0.07939%0.388CS..Hα-helixtrans-70.7-44.7175.8177.30000109.8L24 Y75 V80 P81 P82 S86 R87 V88L24-V84 HydrophobicContact CD1-CG1 4.17Å; Y75-V84 HydrophobicContact CE1-CG2 4.26Å; Y75-V84 WeakPolarHBondContact OH-CG1 3.34Å; Y75-V84 WeakPolarHBondContact OH-CG2 3.43Å; V80-V84 HydrophobicContact CG1-CB 3.99Å; V80-V84 HydrophobicContact CG1-CG1 3.84Å; P81-V84 HydrophobicContact CB-CB 4.44Å; P81-V84 HydrophobicContact CB-CG2 3.97Å; P81-V84 HydrophobicContact CG-CG2 4Å; P81-V84 WeakPolarHBondContact O-CA 3.43Å; P81-V84 WeakPolarHBondContact O-CB 3.27Å; P81-V84 PolarHBondContact O-N 3.19Å; P82-V84 VanDerWaalsContact C-N 3.35Å; P82-V84 PolarHBondContact O-N 3.25Å; V84-S86 PolarHBondContact O-N 2.99Å; V84-R87 WeakPolarHBondContact O-CB 3.4Å; V84-R87 PolarHBondContact O-N 3.17Å; V84-V88 WeakPolarHBondContact O-CG2 3.2Å; V84-V88 PolarHBondContact O-N 3.42Å
85M90.3Very high86.1Confident31 Ų3162.5 Ų62.515%0.15338%0.378CS..Hα-helixtrans-57.4-49.3174.9-179.566.378.300110.9V80 P81 P82 R87 V88 L89 V104 L109V80-M85 HydrophobicContact CG1-CB 4.45Å; P81-M85 PolarHBondContact O-N 3.1Å; P82-M85 PolarHBondContact O-N 3.21Å; M85-R87 VanDerWaalsContact C-N 3.29Å; M85-R87 PolarHBondContact O-N 3.29Å; M85-V88 PolarHBondContact O-N 3.12Å; M85-V88 VanDerWaalsContact O-N 3.14Å; M85-L89 HydrophobicContact CG-CD1 3.96Å; M85-L89 HydrophobicContact CG-CG 4.33Å; M85-L89 WeakPolarHBondContact O-CG 3.21Å; M85-L89 PolarHBondContact O-N 3.17Å; M85-L89 HydrophobicContact SD-CD1 4.16Å; M85-L89 HydrophobicContact SD-CD2 4.46Å; M85-L89 HydrophobicContact SD-CG 4.16Å; M85-V104 HydrophobicContact CE-CG2 3.57Å; M85-L109 HydrophobicContact CE-CD1 3.41Å; M85-L109 VanDerWaalsContact CE-CD1 3.41Å; M85-L109 HydrophobicContact SD-CD1 4.03Å
86S90.9Very high86.4Confident76 Ų7661.7 Ų61.753%0.53138%0.377SS..Hα-helixtrans-55.7-45.1176.7178.80000111.5P82 V84 V88 L89 S90P82-S86 WeakPolarHBondContact O-CB 3.48Å; P82-S86 PolarHBondContact O-N 3.47Å; V84-S86 PolarHBondContact O-N 2.99Å; S86-V88 PolarHBondContact O-N 2.98Å; S86-L89 PolarHBondContact O-N 3.45Å; S86-S90 VanDerWaalsContact O-CB 3.24Å; S86-S90 WeakPolarHBondContact O-CB 3.27Å; S86-S90 PolarHBondContact O-N 3.22Å; S86-S90 PolarHBondContact O-OG 3.42Å; S86-S90 VanDerWaalsContact O-OG 3.06Å
87R91.3Very high87.2Confident89 Ų8957.7 Ų57.734%0.33634%0.344SS..Hα-helixtrans-59.4-47.3175.6-176.3171.457-131.8-4.9112.4A23 G26 A83 V84 M85 L89 S90 L91A23-R87 HydrophobicContact CB-CG 4.16Å; A23-R87 VanDerWaalsContact O-CZ 3.22Å; A23-R87 PolarHBondContact O-NE 3.25Å; A23-R87 PolarHBondContact O-NH2 2.87Å; G26-R87 VanDerWaalsContact CA-CZ 3.49Å; A83-R87 PolarHBondContact O-N 3.15Å; A83-R87 VanDerWaalsContact O-N 3.09Å; V84-R87 WeakPolarHBondContact O-CB 3.4Å; V84-R87 PolarHBondContact O-N 3.17Å; M85-R87 VanDerWaalsContact C-N 3.29Å; M85-R87 PolarHBondContact O-N 3.29Å; R87-L89 PolarHBondContact O-N 2.86Å; R87-S90 WeakPolarHBondContact CA-OG 3.47Å; R87-S90 PolarHBondContact O-N 3.48Å; R87-S90 PolarHBondContact O-OG 3.42Å; R87-L91 PolarHBondContact O-N 2.92Å
88V91.4Very high88.1Confident0 Ų052 Ų520%032%0.315CS..Hα-helixtrans-60.5-43.9178171.50000111.4L20 A23 W50 V84 M85 S86 L91 L111L20-V88 HydrophobicContact CD2-CG1 4.02Å; A23-V88 HydrophobicContact CB-CG2 3.82Å; W50-V88 HydrophobicContact CZ2-CG1 4.48Å; V84-V88 WeakPolarHBondContact O-CG2 3.2Å; V84-V88 PolarHBondContact O-N 3.42Å; M85-V88 PolarHBondContact O-N 3.12Å; M85-V88 VanDerWaalsContact O-N 3.14Å; S86-V88 PolarHBondContact O-N 2.98Å; V88-L91 WeakPolarHBondContact O-CB 3.39Å; V88-L91 WeakPolarHBondContact O-CD1 3.17Å; V88-L91 WeakPolarHBondContact O-CG 3.38Å; V88-L91 PolarHBondContact O-N 3.2Å; V88-L111 HydrophobicContact CG1-CD1 3.69Å; V88-L111 HydrophobicContact CG1-CD2 3.83Å; V88-L111 HydrophobicContact CG1-CG 4.39Å
89L92.1Very high89.1Confident56 Ų5652.1 Ų52.129%0.29331%0.314SS..Hα-helixtrans-71.7-30179.4-62.4-179.9000113.1M85 S86 R87 L91 R92 V99 G101 G102 L111M85-L89 HydrophobicContact CG-CD1 3.96Å; M85-L89 HydrophobicContact CG-CG 4.33Å; M85-L89 WeakPolarHBondContact O-CG 3.21Å; M85-L89 PolarHBondContact O-N 3.17Å; M85-L89 HydrophobicContact SD-CD1 4.16Å; M85-L89 HydrophobicContact SD-CD2 4.46Å; M85-L89 HydrophobicContact SD-CG 4.16Å; S86-L89 PolarHBondContact O-N 3.45Å; R87-L89 PolarHBondContact O-N 2.86Å; L89-L91 VanDerWaalsContact C-N 3.25Å; L89-L91 PolarHBondContact O-N 2.88Å; L89-R92 PolarHBondContact O-NH1 2.89Å; L89-V99 HydrophobicContact CD2-CG1 3.91Å; L89-G101 VanDerWaalsContact CD2-C 3.48Å; L89-G102 VanDerWaalsContact CD2-N 3.32Å; L89-L111 HydrophobicContact CD2-CD2 4.31Å
90S90.6Very high89.6Confident71 Ų7148.7 Ų48.750%0.49731%0.309SS..THydrogen-bonded Turntrans-80.70.3176.371.40000114S86 R87 R92S86-S90 VanDerWaalsContact O-CB 3.24Å; S86-S90 WeakPolarHBondContact O-CB 3.27Å; S86-S90 PolarHBondContact O-N 3.22Å; S86-S90 PolarHBondContact O-OG 3.42Å; S86-S90 VanDerWaalsContact O-OG 3.06Å; R87-S90 WeakPolarHBondContact CA-OG 3.47Å; R87-S90 PolarHBondContact O-N 3.48Å; R87-S90 PolarHBondContact O-OG 3.42Å; S90-R92 PolarHBondContact O-N 2.94Å; S90-R92 VanDerWaalsContact O-N 3.15Å
91L89.3Confident89.8Confident29 Ų2948.6 Ų48.615%0.15231%0.311CS..  trans-58.5122179.9-82.1171.4000110.9A19 L20 A23 R87 V88 L89A19-L91 HydrophobicContact CB-CD2 4.38Å; L20-L91 HydrophobicContact CD2-CD1 3.63Å; L20-L91 HydrophobicContact CG-CD1 4.33Å; A23-L91 HydrophobicContact CB-CD1 3.74Å; A23-L91 HydrophobicContact CB-CD2 4.05Å; A23-L91 HydrophobicContact CB-CG 4.07Å; R87-L91 PolarHBondContact O-N 2.92Å; V88-L91 WeakPolarHBondContact O-CB 3.39Å; V88-L91 WeakPolarHBondContact O-CD1 3.17Å; V88-L91 WeakPolarHBondContact O-CG 3.38Å; V88-L91 PolarHBondContact O-N 3.2Å; L89-L91 VanDerWaalsContact C-N 3.25Å; L89-L91 PolarHBondContact O-N 2.88Å
92R83.3Confident89.9Confident169 Ų16947.6 Ų47.664%0.63831%0.309SS*.  trans-139.9153.5173.5-59.5-64.1-178.6-84.32.6107.5L89 S90L89-R92 PolarHBondContact O-NH1 2.89Å; S90-R92 PolarHBondContact O-N 2.94Å; S90-R92 VanDerWaalsContact O-N 3.15Å
93G78.5Confident90.1Very high51 Ų5147.2 Ų47.253%0.52630%0.298SS..  trans153.1162.517600000113G95 V96G93-G95 PolarHBondContact O-N 2.74Å; G93-V96 PolarHBondContact O-N 3.05Å
94G82.3Confident90.1Very high53 Ų5346.8 Ų46.855%0.54629%0.287SS..THydrogen-bonded Turntrans-54.4127.6178.700000112.2V96G94-V96 VanDerWaalsContact C-N 3.27Å; G94-V96 PolarHBondContact O-N 3.3Å
95G88.4Confident90.1Very high4 Ų449.4 Ų49.44%0.04130%0.3CS..THydrogen-bonded Turntrans72.56.6177.400000116.6S9 P10 R12 G93S9-G95 PolarHBondContact O-N 2.93Å; P10-G95 WeakPolarHBondContact O-CA 3.34Å; R12-G95 PolarHBondContact N-O 3.01Å; G93-G95 PolarHBondContact O-N 2.74Å
96V93.4Very high89.8Confident21 Ų2151.7 Ų51.713%0.12733%0.331CS..PPolyproline II helixtrans-99.1131175.7178.70000110.2L11 T16 A19 G93 G94L11-V96 WeakPolarHBondContact CD2-O 3.49Å; T16-V96 HydrophobicContact CG2-CG1 4.41Å; A19-V96 HydrophobicContact CB-CG1 4.28Å; A19-V96 HydrophobicContact CB-CG2 3.82Å; G93-V96 PolarHBondContact O-N 3.05Å; G94-V96 VanDerWaalsContact C-N 3.27Å; G94-V96 PolarHBondContact O-N 3.3Å
97L94.6Very high89.7Confident1 Ų151.5 Ų51.51%0.00532%0.322CS..PPolyproline II helixtrans-61.2133176.1-78.6156.2000111.3L11 I13 T16 F64 V99 V113 A118 F479 I483L11-L97 HydrophobicContact CB-CD2 4.29Å; L11-L97 HydrophobicContact CB-CG 4.49Å; L11-L97 HydrophobicContact CD1-CD2 3.79Å; I13-L97 HydrophobicContact CD1-CD1 3.75Å; T16-L97 HydrophobicContact CG2-CB 3.97Å; T16-L97 HydrophobicContact CG2-CD1 4.19Å; T16-L97 PolarHBondContact OG1-N 3.37Å; F64-L97 HydrophobicContact CE2-CD1 4.05Å; F64-L97 HydrophobicContact CZ-CD1 3.86Å; L97-V99 PolarHBondContact O-N 3.39Å; L97-V113 HydrophobicContact CB-CG1 4.09Å; L97-V113 HydrophobicContact CB-CG2 4.16Å; L97-V113 HydrophobicContact CD2-CG1 3.95Å; L97-A118 HydrophobicContact CD2-CB 4.19Å; L97-F479 HydrophobicContact CD1-CD2 4.35Å; L97-F479 HydrophobicContact CD1-CE2 3.74Å; L97-I483 HydrophobicContact CD2-CD1 3.75Å
98P93.4Very high89.8Confident26 Ų2647.3 Ų47.317%0.16931%0.306CS..PPolyproline II helixtrans-67.5122.4-177.726.5-33.1000110.3V113 D114 A117P98-V113 HydrophobicContact CG-CG1 4.41Å; P98-V113 CarbonylContact O-C 3.58Å; P98-V113 VanDerWaalsContact O-CA 3.3Å; P98-V113 WeakPolarHBondContact O-CA 2.98Å; P98-V113 VanDerWaalsContact O-CG1 3.32Å; P98-V113 WeakPolarHBondContact O-CG1 3.37Å; P98-D114 HydrophobicContact CB-CB 4.08Å; P98-D114 HydrophobicContact CG-CB 4.06Å; P98-D114 PolarHBondContact O-N 3.09Å; P98-A117 HydrophobicContact CB-CB 4.18Å; P98-A117 HydrophobicContact CG-CB 3.65Å
99V94.2Very high89.9Confident12 Ų1247.3 Ų47.37%0.07331%0.306CS..EExtended strand (participates in β ladder)trans-83.4124.9-180-177.80000109.8L89 L97 L111L89-V99 HydrophobicContact CD2-CG1 3.91Å; L97-V99 PolarHBondContact O-N 3.39Å; V99-L111 HydrophobicContact CG1-CD2 4.47Å
100A92.1Very high90Very high68 Ų6846.8 Ų46.856%0.56230%0.301SS*.EExtended strand (participates in β ladder)trans-90.7-32.8175.900000112.9R112 D114A100-R112 PolarHBondContact N-O 3.45Å; A100-D114 HydrophobicContact CB-CB 4.03Å
101G92.1Very high90.2Very high13 Ų1343.5 Ų43.513%0.13428%0.277CS..EExtended strand (participates in β ladder)trans-176.4167.6-177.400000113.7L89 L111 R112L89-G101 VanDerWaalsContact CD2-C 3.48Å; G101-L111 WeakPolarHBondContact O-CA 3.46Å; G101-R112 PolarHBondContact N-O 3.1Å; G101-R112 PolarHBondContact O-N 3.44Å
102G91.9Very high90.5Very high27 Ų2748.9 Ų48.928%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-155.3144.9-178.200000112.3L89 R110L89-G102 VanDerWaalsContact CD2-N 3.32Å; G102-R110 CarbonylContact C-O 3.56Å; G102-R110 WeakPolarHBondContact CA-O 3.42Å
103E92.3Very high91.1Very high107 Ų10741.2 Ų41.250%0.527%0.268SS..EExtended strand (participates in β ladder)trans-144.1133.6-174.7-172.7179-158.500110.3M105 R110E103-M105 HydrophobicContact CG-CG 4.09Å; E103-M105 HydrophobicContact CG-SD 3.79Å; E103-R110 PolarHBondContact N-O 3.29Å; E103-R110 PolarHBondContact O-N 3.11Å
104V89.9Confident91.9Very high65 Ų6542 Ų4239%0.39426%0.26SS..EExtended strand (participates in β ladder)trans-86.6119.9172.6-176.80000108.4V80 M85 L109V80-V104 HydrophobicContact CB-CG2 4.17Å; V80-V104 HydrophobicContact CG2-CG2 4.19Å; M85-V104 HydrophobicContact CE-CG2 3.57Å; V104-L109 HydrophobicContact CG2-CD1 4.05Å
105M89.3Confident92.5Very high69 Ų6942.1 Ų42.134%0.3424%0.244SC..EExtended strand (participates in β ladder)trans-120.6169178.1-62-63.7-79.500109.5E103 E107 G108 R110E103-M105 HydrophobicContact CG-CG 4.09Å; E103-M105 HydrophobicContact CG-SD 3.79Å; M105-E107 HydrophobicContact CB-CG 4.34Å; M105-E107 PolarHBondContact O-N 2.73Å; M105-G108 PolarHBondContact N-O 3.35Å; M105-G108 PolarHBondContact O-N 3.02Å; M105-R110 HydrophobicContact CG-CG 4.47Å
106G85.5Confident92.8Very high79 Ų7944.1 Ų44.181%0.81426%0.255SS*.THydrogen-bonded Turntrans-57.1-26.9-179.700000114.5
107E88.5Confident92.8Very high72 Ų7244.5 Ų44.534%0.33626%0.261SS..THydrogen-bonded Turntrans-82.8-12.3175.567.7-165.4-143.600114.4R62 L65 P67 S68 M105 R110R62-E107 IonicContact CZ-OE1 2.82Å; R62-E107 IonicContact NH1-OE1 2.74Å; R62-E107 PolarHBondContact NH1-OE1 2.99Å; L65-E107 HydrophobicContact CD1-CG 4.28Å; P67-E107 WeakPolarHBondContact CA-O 3.45Å; S68-E107 PolarHBondContact N-O 2.84Å; M105-E107 HydrophobicContact CB-CG 4.34Å; M105-E107 PolarHBondContact O-N 2.73Å; E107-R110 IonicContact OE1-CZ 3.54Å; E107-R110 IonicContact OE1-NE 2.74Å; E107-R110 PolarHBondContact OE1-NE 3Å; E107-R110 IonicContact OE1-NH2 3.72Å; E107-R110 PolarHBondContact OE1-NH2 3.12Å; E107-R110 IonicContact OE2-CZ 3.83Å; E107-R110 IonicContact OE2-NE 3.57Å; E107-R110 IonicContact OE2-NH2 2.62Å; E107-R110 PolarHBondContact OE2-NH2 3.2Å
108G91.9Very high92.8Very high1 Ų144.5 Ų44.51%0.0126%0.26CS..EExtended strand (participates in β ladder)trans134.1-168.3-176.800000114.2S66 M105S66-G108 CarbonylContact O-C 3.43Å; S66-G108 VanDerWaalsContact O-CA 3.25Å; S66-G108 WeakPolarHBondContact O-CA 3.14Å; M105-G108 PolarHBondContact N-O 3.35Å; M105-G108 PolarHBondContact O-N 3.02Å
109L94.1Very high92.9Very high0 Ų043.3 Ų43.30%025%0.253CS..EExtended strand (participates in β ladder)trans-87115179.1172.459.3000110.2L24 W50 L65 S66 L71 V80 M85 V104 L111L24-L109 HydrophobicContact CD1-CD2 4.13Å; W50-L109 HydrophobicContact CH2-CB 4.44Å; W50-L109 HydrophobicContact CH2-CD2 3.49Å; W50-L109 VanDerWaalsContact CH2-CD2 3.49Å; W50-L109 HydrophobicContact CH2-CG 3.7Å; W50-L109 HydrophobicContact CZ2-CD2 3.94Å; W50-L109 HydrophobicContact CZ3-CG 4.33Å; L65-L109 WeakPolarHBondContact CA-O 3.45Å; S66-L109 PolarHBondContact N-O 3.36Å; S66-L109 PolarHBondContact O-N 2.9Å; L71-L109 HydrophobicContact CD1-CB 3.88Å; V80-L109 HydrophobicContact CG2-CD2 4.26Å; M85-L109 HydrophobicContact CE-CD1 3.41Å; M85-L109 VanDerWaalsContact CE-CD1 3.41Å; M85-L109 HydrophobicContact SD-CD1 4.03Å; V104-L109 HydrophobicContact CG2-CD1 4.05Å; L109-L111 HydrophobicContact CD1-CD2 4.41Å
110R95Very high92.9Very high45 Ų4548.7 Ų48.717%0.1727%0.272CS..EExtended strand (participates in β ladder)trans-94.3139.1175.8-61.1177.4-179.7166.2-1.2110R62 L65 G102 E103 M105 E107R62-R110 HydrophobicContact CB-CB 3.95Å; R62-R110 HydrophobicContact CB-CG 4.22Å; L65-R110 HydrophobicContact CD1-CG 4.02Å; G102-R110 CarbonylContact C-O 3.56Å; G102-R110 WeakPolarHBondContact CA-O 3.42Å; E103-R110 PolarHBondContact N-O 3.29Å; E103-R110 PolarHBondContact O-N 3.11Å; M105-R110 HydrophobicContact CG-CG 4.47Å; E107-R110 IonicContact OE1-CZ 3.54Å; E107-R110 IonicContact OE1-NE 2.74Å; E107-R110 PolarHBondContact OE1-NE 3Å; E107-R110 IonicContact OE1-NH2 3.72Å; E107-R110 PolarHBondContact OE1-NH2 3.12Å; E107-R110 IonicContact OE2-CZ 3.83Å; E107-R110 IonicContact OE2-NE 3.57Å; E107-R110 IonicContact OE2-NH2 2.62Å; E107-R110 PolarHBondContact OE2-NH2 3.2Å
111L95.2Very high92.9Very high2 Ų247.8 Ų47.81%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-123147.3171.2-63.7-179.3000111.6L20 W50 D63 F64 V88 L89 V99 G101 L109L20-L111 HydrophobicContact CD1-CD1 4.06Å; L20-L111 HydrophobicContact CD2-CD1 3.29Å; L20-L111 HydrophobicContact CG-CD1 4.32Å; W50-L111 HydrophobicContact CE3-CD1 4.28Å; W50-L111 HydrophobicContact CH2-CD1 3.25Å; W50-L111 HydrophobicContact CH2-CD2 4.31Å; W50-L111 HydrophobicContact CH2-CG 3.56Å; W50-L111 HydrophobicContact CZ2-CD1 3.99Å; W50-L111 HydrophobicContact CZ3-CB 4.46Å; W50-L111 HydrophobicContact CZ3-CD1 3.45Å; W50-L111 VanDerWaalsContact CZ3-CD1 3.45Å; W50-L111 HydrophobicContact CZ3-CG 3.61Å; D63-L111 PolarHBondContact N-O 2.62Å; F64-L111 HydrophobicContact CB-CB 4.3Å; F64-L111 PolarHBondContact N-O 3.25Å; F64-L111 PolarHBondContact O-N 3.49Å; V88-L111 HydrophobicContact CG1-CD1 3.69Å; V88-L111 HydrophobicContact CG1-CD2 3.83Å; V88-L111 HydrophobicContact CG1-CG 4.39Å; L89-L111 HydrophobicContact CD2-CD2 4.31Å; V99-L111 HydrophobicContact CG1-CD2 4.47Å; G101-L111 WeakPolarHBondContact O-CA 3.46Å; L109-L111 HydrophobicContact CD1-CD2 4.41Å
112R95.1Very high92.9Very high141 Ų14147.2 Ų47.253%0.53226%0.258SS..EExtended strand (participates in β ladder)trans-118.5136.9172.8-68.1-176.3-70.3172.8-3.1110.1D63 A100 G101D63-R112 WeakPolarHBondContact OD2-CA 3.45Å; A100-R112 PolarHBondContact N-O 3.45Å; G101-R112 PolarHBondContact N-O 3.1Å; G101-R112 PolarHBondContact O-N 3.44Å
113V95.4Very high93Very high9 Ų946.2 Ų46.26%0.05525%0.246CC..EExtended strand (participates in β ladder)trans-87145.5175.7176.80000109.1D63 F64 L97 P98 R115 A118 W475D63-V113 HydrophobicContact CB-CG2 3.89Å; D63-V113 PolarHBondContact OD2-N 2.91Å; F64-V113 HydrophobicContact CD2-CG2 4.21Å; F64-V113 HydrophobicContact CE2-CG2 3.8Å; L97-V113 HydrophobicContact CB-CG1 4.09Å; L97-V113 HydrophobicContact CB-CG2 4.16Å; L97-V113 HydrophobicContact CD2-CG1 3.95Å; P98-V113 HydrophobicContact CG-CG1 4.41Å; P98-V113 CarbonylContact O-C 3.58Å; P98-V113 VanDerWaalsContact O-CA 3.3Å; P98-V113 WeakPolarHBondContact O-CA 2.98Å; P98-V113 VanDerWaalsContact O-CG1 3.32Å; P98-V113 WeakPolarHBondContact O-CG1 3.37Å; V113-R115 VanDerWaalsContact C-N 3.33Å; V113-R115 PolarHBondContact O-N 3.41Å; V113-A118 HydrophobicContact CG1-CB 4.19Å; V113-W475 HydrophobicContact CB-CH2 4.09Å; V113-W475 HydrophobicContact CB-CZ2 3.96Å; V113-W475 HydrophobicContact CG1-CH2 3.76Å; V113-W475 HydrophobicContact CG1-CZ2 4.16Å; V113-W475 HydrophobicContact CG2-CZ2 4.47Å
114D94.8Very high92.7Very high66 Ų6642.2 Ų42.235%0.35323%0.231SC..  trans-69.594.8165.6-175.4-19.5000108.5P98 A100 V116 A117 A118P98-D114 HydrophobicContact CB-CB 4.08Å; P98-D114 HydrophobicContact CG-CB 4.06Å; P98-D114 PolarHBondContact O-N 3.09Å; A100-D114 HydrophobicContact CB-CB 4.03Å; D114-V116 VanDerWaalsContact C-N 3.28Å; D114-V116 PolarHBondContact O-N 3.01Å; D114-V116 PolarHBondContact OD1-N 3.46Å; D114-V116 VanDerWaalsContact OD1-N 3.13Å; D114-A117 HydrophobicContact CB-CB 3.97Å; D114-A117 VanDerWaalsContact CG-CB 3.47Å; D114-A117 PolarHBondContact O-N 3.23Å; D114-A117 PolarHBondContact OD1-N 3Å; D114-A118 WeakPolarHBondContact O-CB 3.31Å; D114-A118 PolarHBondContact O-N 3.31Å
115R95Very high91.9Very high56 Ų5642.7 Ų42.721%0.21125%0.249CC..Hα-helixtrans-61.1-37.7-177.3-61.1-174.3179.4179.7-3.2111.7L59 V113 A118 F119 E472 W475L59-R115 PolarHBondContact O-NH2 2.96Å; V113-R115 VanDerWaalsContact C-N 3.33Å; V113-R115 PolarHBondContact O-N 3.41Å; R115-A118 PolarHBondContact O-N 3.26Å; R115-F119 HydrophobicContact CB-CD2 4.37Å; R115-F119 HydrophobicContact CB-CE2 4.29Å; R115-F119 WeakPolarHBondContact O-CB 3.22Å; R115-F119 WeakPolarHBondContact O-CD2 3.45Å; R115-F119 PolarHBondContact O-N 3.43Å; R115-E472 IonicContact CZ-OE1 3.34Å; R115-E472 IonicContact CZ-OE2 2.64Å; R115-E472 VanDerWaalsContact NH1-CD 3.33Å; R115-E472 IonicContact NH1-OE1 2.75Å; R115-E472 PolarHBondContact NH1-OE1 3.23Å; R115-E472 IonicContact NH1-OE2 3.13Å; R115-E472 PolarHBondContact NH1-OE2 3.42Å; R115-E472 IonicContact NH2-OE1 3.94Å; R115-E472 PolarHBondContact NH2-OE1 3.45Å; R115-E472 IonicContact NH2-OE2 2.68Å; R115-E472 PolarHBondContact NH2-OE2 2.79Å; R115-W475 HydrophobicContact CB-CD2 4.38Å; R115-W475 HydrophobicContact CB-CE3 3.96Å; R115-W475 HydrophobicContact CB-CZ3 4.16Å; R115-W475 HydrophobicContact CG-CD2 3.69Å; R115-W475 HydrophobicContact CG-CE3 3.76Å; R115-W475 HydrophobicContact CG-CG 4.18Å; R115-W475 HydrophobicContact CG-CH2 4.31Å; R115-W475 HydrophobicContact CG-CZ2 4.22Å; R115-W475 HydrophobicContact CG-CZ3 4.08Å; R115-W475 VanDerWaalsContact CZ-CD1 3.41Å; R115-W475 VanDerWaalsContact NE-CD1 3.31Å
116V94.9Very high91.3Very high47 Ų4741.2 Ų41.229%0.28525%0.252SS..Hα-helixtrans-68.1-45.6-177.8-179.40000109.9D114 A118 F119 R120D114-V116 VanDerWaalsContact C-N 3.28Å; D114-V116 PolarHBondContact O-N 3.01Å; D114-V116 PolarHBondContact OD1-N 3.46Å; D114-V116 VanDerWaalsContact OD1-N 3.13Å; V116-A118 VanDerWaalsContact C-N 3.32Å; V116-A118 PolarHBondContact O-N 2.79Å; V116-F119 PolarHBondContact O-N 2.67Å; V116-R120 WeakPolarHBondContact O-CB 3.48Å; V116-R120 PolarHBondContact O-N 3.12Å
117A93.5Very high91.4Very high29 Ų2938.6 Ų38.624%0.2422%0.22CC..Hα-helixtrans-62.1-40.3174.500000111.7P98 D114 R120 A121P98-A117 HydrophobicContact CB-CB 4.18Å; P98-A117 HydrophobicContact CG-CB 3.65Å; D114-A117 HydrophobicContact CB-CB 3.97Å; D114-A117 VanDerWaalsContact CG-CB 3.47Å; D114-A117 PolarHBondContact O-N 3.23Å; D114-A117 PolarHBondContact OD1-N 3Å; A117-R120 PolarHBondContact O-N 3.25Å; A117-A121 VanDerWaalsContact O-CB 3.29Å; A117-A121 WeakPolarHBondContact O-CB 3.5Å; A117-A121 PolarHBondContact O-N 2.81Å
118A94.4Very high91.5Very high0 Ų039.8 Ų39.80%023%0.233CC..Hα-helixtrans-66.5-44.9176.700000112.9L11 L97 V113 D114 R115 V116 R120 A121 V122 W475L11-A118 HydrophobicContact CD1-CB 4.3Å; L97-A118 HydrophobicContact CD2-CB 4.19Å; V113-A118 HydrophobicContact CG1-CB 4.19Å; D114-A118 WeakPolarHBondContact O-CB 3.31Å; D114-A118 PolarHBondContact O-N 3.31Å; R115-A118 PolarHBondContact O-N 3.26Å; V116-A118 VanDerWaalsContact C-N 3.32Å; V116-A118 PolarHBondContact O-N 2.79Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 2.79Å; A118-A121 PolarHBondContact O-N 2.88Å; A118-V122 VanDerWaalsContact O-CG2 3.27Å; A118-V122 WeakPolarHBondContact O-CG2 3.49Å; A118-V122 PolarHBondContact O-N 2.84Å; A118-W475 HydrophobicContact CB-CH2 3.97Å; A118-W475 HydrophobicContact CB-CZ3 3.77Å
119F95.6Very high91.4Very high2 Ų243.6 Ų43.61%0.00925%0.25CC..Hα-helixtrans-58.2-47.7174.1-82.1-62.8000111R115 V116 V122 L123 F466 L469 E474 W475 L478R115-F119 HydrophobicContact CB-CD2 4.37Å; R115-F119 HydrophobicContact CB-CE2 4.29Å; R115-F119 WeakPolarHBondContact O-CB 3.22Å; R115-F119 WeakPolarHBondContact O-CD2 3.45Å; R115-F119 PolarHBondContact O-N 3.43Å; V116-F119 PolarHBondContact O-N 2.67Å; F119-V122 PolarHBondContact O-N 3Å; F119-L123 HydrophobicContact CD1-CD1 3.89Å; F119-L123 VanDerWaalsContact O-CB 3.27Å; F119-L123 WeakPolarHBondContact O-CB 3.38Å; F119-L123 WeakPolarHBondContact O-CG 3.43Å; F119-L123 PolarHBondContact O-N 3.28Å; F119-F466 HydrophobicContact CB-CB 3.77Å; F119-F466 HydrophobicContact CB-CD1 4.03Å; F119-F466 HydrophobicContact CB-CG 4Å; F119-L469 HydrophobicContact CB-CD1 4.41Å; F119-L469 HydrophobicContact CD1-CD1 3.41Å; F119-L469 VanDerWaalsContact CD1-CD1 3.41Å; F119-L469 HydrophobicContact CD2-CB 4.12Å; F119-L469 HydrophobicContact CD2-CD1 4.12Å; F119-L469 HydrophobicContact CE1-CB 4.5Å; F119-L469 HydrophobicContact CE1-CD1 3.58Å; F119-L469 HydrophobicContact CE2-CB 3.83Å; F119-L469 HydrophobicContact CE2-CD1 4.22Å; F119-L469 HydrophobicContact CG-CD1 3.75Å; F119-L469 HydrophobicContact CZ-CB 4.04Å; F119-L469 HydrophobicContact CZ-CD1 3.98Å; F119-E474 HydrophobicContact CE1-CB 4.48Å; F119-E474 HydrophobicContact CZ-CB 3.98Å; F119-W475 HydrophobicContact CE2-CE3 4.15Å; F119-W475 HydrophobicContact CZ-CB 4.4Å; F119-W475 HydrophobicContact CZ-CE3 4.19Å; F119-L478 HydrophobicContact CD1-CB 4.44Å; F119-L478 HydrophobicContact CD1-CD1 3.42Å; F119-L478 VanDerWaalsContact CD1-CD1 3.42Å; F119-L478 HydrophobicContact CD1-CG 4.38Å; F119-L478 HydrophobicContact CE1-CB 3.88Å; F119-L478 HydrophobicContact CE1-CD1 3.73Å; F119-L478 HydrophobicContact CE1-CG 4.3Å; F119-L478 HydrophobicContact CG-CD1 4.35Å
120R94Very high91.3Very high125 Ų12544 Ų4447%0.47225%0.251SS..Hα-helixtrans-60.1-48.2177.7-173.7-179.8-68139.10.8111.3V116 A117 A118 V122 A124 F466V116-R120 WeakPolarHBondContact O-CB 3.48Å; V116-R120 PolarHBondContact O-N 3.12Å; A117-R120 PolarHBondContact O-N 3.25Å; A118-R120 VanDerWaalsContact C-N 3.34Å; A118-R120 PolarHBondContact O-N 2.79Å; R120-V122 VanDerWaalsContact C-N 3.29Å; R120-V122 PolarHBondContact O-N 3.48Å; R120-A124 HydrophobicContact CG-CB 4.03Å; R120-A124 WeakPolarHBondContact O-CA 3.21Å; R120-A124 WeakPolarHBondContact O-CB 3.43Å; R120-A124 PolarHBondContact O-N 3.49Å; R120-F466 HydrophobicContact CB-CD2 3.92Å; R120-F466 HydrophobicContact CB-CE2 4.47Å; R120-F466 HydrophobicContact CG-CD2 4.25Å
121A91.9Very high91.2Very high49 Ų4942.2 Ų42.241%0.40525%0.246SC..Hα-helixtrans-62.9-33.3-178.500000113.6L11 A117 A118L11-A121 HydrophobicContact CD1-CB 3.85Å; L11-A121 HydrophobicContact CG-CB 4.37Å; A117-A121 VanDerWaalsContact O-CB 3.29Å; A117-A121 WeakPolarHBondContact O-CB 3.5Å; A117-A121 PolarHBondContact O-N 2.81Å; A118-A121 PolarHBondContact O-N 2.88Å
122V92.8Very high91Very high0 Ų046.5 Ų46.50%026%0.264CS..Hα-helixtrans-87.3-42-179.1176.80000112L11 A118 F119 R120 T127 Y130 L478 I483L11-V122 HydrophobicContact CD1-CG2 4.22Å; A118-V122 VanDerWaalsContact O-CG2 3.27Å; A118-V122 WeakPolarHBondContact O-CG2 3.49Å; A118-V122 PolarHBondContact O-N 2.84Å; F119-V122 PolarHBondContact O-N 3Å; R120-V122 VanDerWaalsContact C-N 3.29Å; R120-V122 PolarHBondContact O-N 3.48Å; V122-T127 HydrophobicContact CG1-CG2 4.47Å; V122-T127 WeakPolarHBondContact O-CG2 3.38Å; V122-Y130 HydrophobicContact CB-CE2 4.18Å; V122-Y130 HydrophobicContact CG1-CD2 4.11Å; V122-Y130 HydrophobicContact CG1-CE2 4Å; V122-Y130 HydrophobicContact CG1-CG 4.49Å; V122-Y130 HydrophobicContact CG2-CE1 4.03Å; V122-Y130 HydrophobicContact CG2-CE2 4.14Å; V122-L478 HydrophobicContact CB-CD1 3.89Å; V122-L478 HydrophobicContact CG1-CD1 3.91Å; V122-L478 HydrophobicContact CG1-CG 4.44Å; V122-L478 HydrophobicContact CG2-CD1 4.25Å; V122-L478 HydrophobicContact CG2-CD2 4.33Å; V122-I483 HydrophobicContact CG2-CD1 4.34Å; V122-I483 HydrophobicContact CG2-CG1 4.02Å
123L93.5Very high90.7Very high6 Ų640.7 Ų40.73%0.03124%0.244CC..Hα-helixtrans-96.3-29.2-169.6-58.6179.7000113.5F119 T127 F466 L469 L478 L482 L550 A553F119-L123 HydrophobicContact CD1-CD1 3.89Å; F119-L123 VanDerWaalsContact O-CB 3.27Å; F119-L123 WeakPolarHBondContact O-CB 3.38Å; F119-L123 WeakPolarHBondContact O-CG 3.43Å; F119-L123 PolarHBondContact O-N 3.28Å; L123-T127 HydrophobicContact CD2-CG2 4.04Å; L123-F466 HydrophobicContact CB-CE1 3.61Å; L123-F466 HydrophobicContact CB-CZ 3.65Å; L123-F466 HydrophobicContact CD1-CD1 4.09Å; L123-F466 HydrophobicContact CD1-CE1 3.65Å; L123-F466 HydrophobicContact CG-CE1 4.26Å; L123-L469 HydrophobicContact CD1-CD1 4.26Å; L123-L478 HydrophobicContact CD1-CD1 4.36Å; L123-L478 HydrophobicContact CD2-CD1 4.41Å; L123-L478 HydrophobicContact CG-CD1 4.15Å; L123-L482 HydrophobicContact CD2-CD1 4.43Å; L123-L550 HydrophobicContact CD1-CB 4.07Å; L123-L550 HydrophobicContact CD1-CD1 4.44Å; L123-L550 HydrophobicContact CD2-CD1 4.48Å; L123-A553 HydrophobicContact CD2-CB 4.04Å
124A87.1Confident90Very high23 Ų2343.2 Ų43.219%0.1926%0.263CS..THydrogen-bonded Turntrans-76.4-40.5-17600000113.2R120 G126 F466R120-A124 HydrophobicContact CG-CB 4.03Å; R120-A124 WeakPolarHBondContact O-CA 3.21Å; R120-A124 WeakPolarHBondContact O-CB 3.43Å; R120-A124 PolarHBondContact O-N 3.49Å; A124-G126 VanDerWaalsContact C-N 3.3Å; A124-G126 PolarHBondContact O-N 3.02Å; A124-F466 HydrophobicContact CB-CE2 3.95Å; A124-F466 HydrophobicContact CB-CZ 4.5Å
125G72.7Confident89.1Confident75 Ų7542.2 Ų42.277%0.77326%0.261SS*.SBendtrans-86.16.3-177.700000115
126G76.6Confident88.4Confident38 Ų3848.5 Ų48.539%0.39229%0.292SS..  trans85.8145.4-172.200000113.2A124A124-G126 VanDerWaalsContact C-N 3.3Å; A124-G126 PolarHBondContact O-N 3.02Å
127T87.9Confident87.7Confident24 Ų2448.1 Ų48.115%0.14729%0.286CS..SBendtrans-90.3-3.6-172.5550000114V122 L123 E129 Y130 L131 A553V122-T127 HydrophobicContact CG1-CG2 4.47Å; V122-T127 WeakPolarHBondContact O-CG2 3.38Å; L123-T127 HydrophobicContact CD2-CG2 4.04Å; T127-E129 VanDerWaalsContact C-N 3.28Å; T127-E129 PolarHBondContact O-N 3.32Å; T127-E129 VanDerWaalsContact O-N 3.14Å; T127-Y130 WeakPolarHBondContact O-CB 3.33Å; T127-Y130 PolarHBondContact O-N 3.38Å; T127-L131 WeakPolarHBondContact O-CG 3.24Å; T127-L131 PolarHBondContact O-N 3.15Å; T127-A553 HydrophobicContact CG2-CB 3.37Å
128T89.3Confident87.2Confident98 Ų9855.9 Ų55.960%0.60132%0.317SS*.Hα-helixtrans-51.9-41.8-171.5-50.70000113.5Y130 L131 K132T128-Y130 PolarHBondContact O-N 3.09Å; T128-L131 PolarHBondContact O-N 3.39Å; T128-K132 PolarHBondContact O-N 2.97Å
129E89.9Confident86.8Confident80 Ų8057.1 Ų57.137%0.37433%0.33SS..Hα-helixtrans-67.7-19.2-179.9-60.8-54111.300114.2P10 R12 T127 K132P10-E129 HydrophobicContact CB-CB 3.99Å; P10-E129 HydrophobicContact CG-CB 4.06Å; R12-E129 PolarHBondContact NH1-O 3.22Å; R12-E129 PolarHBondContact NH2-O 3.26Å; T127-E129 VanDerWaalsContact C-N 3.28Å; T127-E129 PolarHBondContact O-N 3.32Å; T127-E129 VanDerWaalsContact O-N 3.14Å; E129-K132 VanDerWaalsContact CD-CE 3.43Å; E129-K132 VanDerWaalsContact OE1-CE 3.29Å; E129-K132 WeakPolarHBondContact OE1-CE 3.43Å; E129-K132 IonicContact OE1-NZ 3.5Å; E129-K132 PolarHBondContact OE1-NZ 2.86Å; E129-K132 WeakPolarHBondContact OE2-CE 3.48Å; E129-K132 IonicContact OE2-NZ 3.77Å; E129-K132 PolarHBondContact OE2-NZ 3.15Å
130Y93.2Very high86.6Confident8 Ų857.2 Ų57.23%0.03133%0.331CS..Hα-helixtrans-89-16.5174.2-60.8-88.5000112.3P10 L11 V122 T127 T128 F485 S486P10-Y130 HydrophobicContact CB-CE1 4.03Å; P10-Y130 HydrophobicContact CB-CE2 4.23Å; L11-Y130 HydrophobicContact CB-CE1 4.16Å; L11-Y130 PolarHBondContact N-OH 3.41Å; L11-Y130 VanDerWaalsContact O-CE1 3.3Å; L11-Y130 WeakPolarHBondContact O-CE1 3.42Å; V122-Y130 HydrophobicContact CB-CE2 4.18Å; V122-Y130 HydrophobicContact CG1-CD2 4.11Å; V122-Y130 HydrophobicContact CG1-CE2 4Å; V122-Y130 HydrophobicContact CG1-CG 4.49Å; V122-Y130 HydrophobicContact CG2-CE1 4.03Å; V122-Y130 HydrophobicContact CG2-CE2 4.14Å; T127-Y130 WeakPolarHBondContact O-CB 3.33Å; T127-Y130 PolarHBondContact O-N 3.38Å; T128-Y130 PolarHBondContact O-N 3.09Å; Y130-F485 WeakPolarHBondContact O-CD1 3.41Å; Y130-S486 PolarHBondContact O-N 3.4Å
131L93.4Very high86.6Confident9 Ų951.3 Ų51.35%0.04731%0.309CS..Hα-helixtrans-102.4-1.5-173.4-56.8-176000113.9T127 T128 L482 F485 E556 L557 R560T127-L131 WeakPolarHBondContact O-CG 3.24Å; T127-L131 PolarHBondContact O-N 3.15Å; T128-L131 PolarHBondContact O-N 3.39Å; L131-L482 HydrophobicContact CD2-CD2 4.38Å; L131-F485 HydrophobicContact CD2-CD1 3.87Å; L131-F485 HydrophobicContact CD2-CE1 4.27Å; L131-E556 HydrophobicContact CD1-CB 3.64Å; L131-E556 HydrophobicContact CD1-CG 3.28Å; L131-L557 HydrophobicContact CD2-CB 3.67Å; L131-L557 HydrophobicContact CD2-CD1 4.14Å; L131-L557 HydrophobicContact CD2-CG 4.13Å; L131-R560 HydrophobicContact CB-CG 4.3Å
132K90.8Very high86.7Confident92 Ų9249 Ų4940%0.429%0.29SS..SBendtrans-115.2159170.971-172.7-164-167.80110.8T128 E129 S486T128-K132 PolarHBondContact O-N 2.97Å; E129-K132 VanDerWaalsContact CD-CE 3.43Å; E129-K132 VanDerWaalsContact OE1-CE 3.29Å; E129-K132 WeakPolarHBondContact OE1-CE 3.43Å; E129-K132 IonicContact OE1-NZ 3.5Å; E129-K132 PolarHBondContact OE1-NZ 2.86Å; E129-K132 WeakPolarHBondContact OE2-CE 3.48Å; E129-K132 IonicContact OE2-NZ 3.77Å; E129-K132 PolarHBondContact OE2-NZ 3.15Å; K132-S486 WeakPolarHBondContact O-CB 3.38Å
133P88.4Confident86.9Confident18 Ų1849 Ų4912%0.11729%0.29CS..  trans-57150.1174.9-2941.8000112.1S135 R180 Q181 L489 D490P133-S135 VanDerWaalsContact C-N 3.35Å; P133-R180 HydrophobicContact CG-CB 4.2Å; P133-R180 VanDerWaalsContact CG-O 3.28Å; P133-R180 WeakPolarHBondContact CG-O 3.16Å; P133-Q181 HydrophobicContact CB-CG 4.01Å; P133-Q181 HydrophobicContact CG-CG 3.98Å; P133-L489 HydrophobicContact CB-CB 4.45Å; P133-L489 HydrophobicContact CG-CB 4.02Å; P133-L489 HydrophobicContact CG-CD1 4.1Å; P133-D490 WeakPolarHBondContact CB-OD1 3.34Å
134S81.3Confident87.1Confident63 Ų6348.7 Ų48.744%0.44129%0.288SS..SBendtrans-79.1-20.3-173.673.80000113.8D490S134-D490 WeakPolarHBondContact CB-OD2 3.31Å; S134-D490 PolarHBondContact N-OD1 2.89Å; S134-D490 PolarHBondContact N-OD2 2.89Å; S134-D490 PolarHBondContact OG-OD2 2.79Å
135S75.8Confident87.6Confident44 Ų4447.6 Ų47.631%0.30828%0.279SS..SBendtrans-129.9130.2175.656.80000109.6P133P133-S135 VanDerWaalsContact C-N 3.35Å
136Q78.5Confident88.6Confident188 Ų18844.3 Ų44.388%0.87924%0.244SC*.  trans-75.7128.8161.9-75-170.8-20.400108.5
137R81.2Confident89.4Confident40 Ų4042.8 Ų42.815%0.15123%0.228CC..  trans-108.9139.2178.7-66172.8169.1-101.3-21.4107.9Q181 G182 F183 G493 D497R137-Q181 PolarHBondContact N-O 2.76Å; R137-G182 CarbonylContact O-C 3.6Å; R137-G182 WeakPolarHBondContact O-CA 3.41Å; R137-G182 VanDerWaalsContact O-O 3.11Å; R137-F183 HydrophobicContact CB-CD2 4.24Å; R137-F183 HydrophobicContact CB-CE1 4.2Å; R137-F183 HydrophobicContact CB-CE2 3.74Å; R137-F183 HydrophobicContact CB-CZ 3.73Å; R137-F183 VanDerWaalsContact CD-CE2 3.43Å; R137-F183 HydrophobicContact CG-CE2 4.22Å; R137-F183 HydrophobicContact CG-CZ 4.28Å; R137-G493 PolarHBondContact NH1-O 2.81Å; R137-G493 VanDerWaalsContact NH1-O 3.13Å; R137-D497 IonicContact CZ-OD2 2.87Å; R137-D497 IonicContact NH1-OD1 3.82Å; R137-D497 PolarHBondContact NH1-OD1 3.28Å; R137-D497 IonicContact NH1-OD2 2.88Å; R137-D497 PolarHBondContact NH1-OD2 3.38Å; R137-D497 IonicContact NH2-OD2 3.66Å
138E82.4Confident89.7Confident191 Ų19141.7 Ų41.789%0.89322%0.221SC*.  trans-106.1139.2173.3-66.5179.4177.500108.7
139G87Confident89.7Confident27 Ų2737.2 Ų37.228%0.27819%0.193SC..  trans151.7160.8178.900000112.1F183 E184G139-F183 WeakPolarHBondContact O-CA 3.43Å; G139-E184 PolarHBondContact O-N 3.25Å
140C91.2Very high89Confident4 Ų435.6 Ų35.63%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-109128.1178.9-1800000110.9E184 Y186 I305 V310 T311C140-E184 WeakPolarHBondContact CA-O 3.39Å; C140-Y186 VanDerWaalsContact SG-CD2 3.53Å; C140-Y186 WeakPolarHBondContact SG-CE2 3.5Å; C140-I305 HydrophobicContact CB-CG2 4.11Å; C140-I305 WeakPolarHBondContact SG-CD1 3.36Å; C140-V310 HydrophobicContact CB-CG2 4.43Å; C140-T311 PolarHBondContact O-N 2.8Å
141V93.3Very high88Confident1 Ų138 Ų381%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-119.3122.5176.8-174.40000110.6L143 L178 F183 E184 V185 Y186 T311 L313 L496V141-L143 HydrophobicContact CG1-CD2 3.89Å; V141-L143 HydrophobicContact CG1-CG 4.38Å; V141-L178 HydrophobicContact CB-CD1 4.42Å; V141-L178 HydrophobicContact CG1-CD1 4Å; V141-L178 HydrophobicContact CG2-CD1 4.45Å; V141-F183 HydrophobicContact CG2-CB 4.27Å; V141-F183 HydrophobicContact CG2-CD1 3.78Å; V141-F183 HydrophobicContact CG2-CE1 4.32Å; V141-F183 HydrophobicContact CG2-CG 4.09Å; V141-E184 PolarHBondContact N-O 3.05Å; V141-V185 WeakPolarHBondContact O-CA 3.5Å; V141-Y186 PolarHBondContact O-N 2.92Å; V141-T311 CarbonylContact C-O 3.5Å; V141-T311 VanDerWaalsContact CA-O 3.24Å; V141-T311 WeakPolarHBondContact CA-O 3.25Å; V141-L313 HydrophobicContact CG1-CB 4.44Å; V141-L496 HydrophobicContact CG2-CD1 4.47Å
142V95.1Very high86.5Confident0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-97.5117169.1-179.70000109N144 Y186 C188 T302 I305 V310 T311 V312 L313V142-N144 PolarHBondContact O-N 3.18Å; V142-Y186 CarbonylContact C-O 3.43Å; V142-Y186 WeakPolarHBondContact CA-O 3.48Å; V142-C188 HydrophobicContact CG1-CB 4.01Å; V142-T302 HydrophobicContact CG2-CG2 4.08Å; V142-I305 HydrophobicContact CG2-CD1 4.34Å; V142-V310 HydrophobicContact CG2-CG1 3.77Å; V142-T311 PolarHBondContact N-O 3.33Å; V142-V312 HydrophobicContact CB-CG1 4.34Å; V142-V312 HydrophobicContact CB-CG2 4.2Å; V142-V312 HydrophobicContact CG1-CG1 4.48Å; V142-V312 CarbonylContact O-C 3.59Å; V142-V312 WeakPolarHBondContact O-CA 3.49Å; V142-L313 PolarHBondContact O-N 3.19Å
143L96.9Very high85.2Confident0 Ų044.5 Ų44.50%025%0.246CC..EExtended strand (participates in β ladder)trans-91.3100.3176.4-66.3-175.9000109.9V141 T171 M174 G175 L178 V185 Y186 F187 C188 L313V141-L143 HydrophobicContact CG1-CD2 3.89Å; V141-L143 HydrophobicContact CG1-CG 4.38Å; L143-T171 HydrophobicContact CB-CG2 3.69Å; L143-T171 HydrophobicContact CD1-CG2 4.28Å; L143-T171 WeakPolarHBondContact CD1-O 3.29Å; L143-M174 HydrophobicContact CD1-CB 4.3Å; L143-G175 VanDerWaalsContact CD1-N 3.26Å; L143-L178 HydrophobicContact CD2-CD1 4.23Å; L143-V185 HydrophobicContact CD1-CG1 3.52Å; L143-V185 HydrophobicContact CG-CG1 3.74Å; L143-Y186 PolarHBondContact N-O 2.63Å; L143-F187 HydrophobicContact CB-CD1 3.82Å; L143-F187 HydrophobicContact CB-CE1 4.21Å; L143-F187 HydrophobicContact CD1-CD1 4.05Å; L143-F187 HydrophobicContact CD1-CE1 3.59Å; L143-F187 HydrophobicContact CD1-CZ 4.34Å; L143-C188 PolarHBondContact O-N 2.98Å; L143-L313 HydrophobicContact CD2-CB 3.83Å; L143-L313 HydrophobicContact CD2-CD2 3.75Å; L143-L313 HydrophobicContact CD2-CG 4.25Å
144N96.9Very high84.6Confident0 Ų047.8 Ų47.80%027%0.266CS..EExtended strand (participates in β ladder)trans-88.7124.6176.9177.248.1000110.6V142 P146 H149 C188 H294 L298 V312 L313 H314 V315 Q324V142-N144 PolarHBondContact O-N 3.18Å; N144-P146 WeakPolarHBondContact O-CD 3.32Å; N144-H149 PolarHBondContact OD1-NE2 3.05Å; N144-C188 CarbonylContact C-O 3.58Å; N144-C188 WeakPolarHBondContact CA-O 3.46Å; N144-H294 PolarHBondContact ND2-NE2 3.37Å; N144-H294 PolarHBondContact OD1-NE2 3.25Å; N144-L298 HydrophobicContact CB-CD2 3.92Å; N144-V312 HydrophobicContact CB-CG1 4.46Å; N144-L313 PolarHBondContact N-O 3.11Å; N144-H314 WeakPolarHBondContact CB-ND1 3.49Å; N144-H314 PolarHBondContact ND2-ND1 3.27Å; N144-V315 PolarHBondContact O-N 3.02Å; N144-Q324 PolarHBondContact ND2-NE2 3.28Å; N144-Q324 VanDerWaalsContact ND2-NE2 3.11Å
145C96.9Very high84.5Confident0 Ų045.7 Ų45.70%025%0.25CS..  trans-111.992.8174.1-164.50000110.7A147 L148 H149 T171 C188 W208C145-A147 PolarHBondContact O-N 3.2Å; C145-L148 HydrophobicContact CB-CD1 4.22Å; C145-L148 HydrophobicContact CB-CG 4.45Å; C145-L148 PolarHBondContact O-N 3.45Å; C145-H149 PolarHBondContact O-CD2 3.02Å; C145-T171 HydrophobicContact CB-CG2 4.24Å; C145-C188 PolarHBondContact N-O 2.96Å; C145-W208 HydrophobicContact CB-CH2 3.73Å; C145-W208 HydrophobicContact CB-CZ2 3.96Å
146P94.1Very high85Confident6 Ų645.4 Ų45.44%0.03925%0.247CC..THydrogen-bonded Turntrans-58-20-178.6-25.637.6000114.6N144 L148 V315 Q324N144-P146 WeakPolarHBondContact O-CD 3.32Å; P146-L148 PolarHBondContact O-N 3.38Å; P146-V315 WeakPolarHBondContact CD-O 3.42Å; P146-Q324 HydrophobicContact CG-CG 3.94Å
147A93.7Very high85.4Confident5 Ų537.1 Ų37.14%0.04121%0.209CC..THydrogen-bonded Turntrans-66.4-25176.500000113.6C145 Q164 T167 V168C145-A147 PolarHBondContact O-N 3.2Å; A147-Q164 HydrophobicContact CB-CB 3.74Å; A147-Q164 HydrophobicContact CB-CG 3.78Å; A147-T167 WeakPolarHBondContact CB-OG1 3.49Å; A147-V168 HydrophobicContact CB-CG2 4.29Å
148L93.6Very high85.8Confident2 Ų240 Ų401%0.0123%0.228CC..SBendtrans-100.9-5.3-175.9-65.4178.2000113.2C145 P146 V168 P189 L191 V197 L201 W208C145-L148 HydrophobicContact CB-CD1 4.22Å; C145-L148 HydrophobicContact CB-CG 4.45Å; C145-L148 PolarHBondContact O-N 3.45Å; P146-L148 PolarHBondContact O-N 3.38Å; L148-V168 HydrophobicContact CD1-CG1 4.3Å; L148-V168 HydrophobicContact CD1-CG2 4.04Å; L148-V168 HydrophobicContact CD2-CG2 3.9Å; L148-V168 HydrophobicContact CG-CG2 3.84Å; L148-P189 HydrophobicContact CB-CG 3.9Å; L148-P189 WeakPolarHBondContact O-CG 3.47Å; L148-L191 HydrophobicContact CB-CD2 4.32Å; L148-V197 HydrophobicContact CD2-CG1 3.73Å; L148-L201 HydrophobicContact CD1-CD1 4.15Å; L148-L201 HydrophobicContact CD2-CD1 4.42Å; L148-W208 HydrophobicContact CD1-CD2 3.86Å; L148-W208 VanDerWaalsContact CD1-CE2 3.44Å; L148-W208 HydrophobicContact CD1-CE3 4.21Å; L148-W208 HydrophobicContact CD1-CH2 3.8Å; L148-W208 HydrophobicContact CD1-CZ2 3.43Å; L148-W208 VanDerWaalsContact CD1-CZ2 3.43Å; L148-W208 HydrophobicContact CD1-CZ3 4.17Å
149H90.2Very high86.2Confident4 Ų435.3 Ų35.32%0.01921%0.212CC..SBendtrans-71.2144173.6-77-92.9000110.6N144 C145 K151 C188 P189 H294N144-H149 PolarHBondContact OD1-NE2 3.05Å; C145-H149 PolarHBondContact O-CD2 3.02Å; H149-K151 PolarHBondContact O-N 3.44Å; H149-C188 VanDerWaalsContact CE1-SG 3.58Å; H149-P189 WeakPolarHBondContact NE2-CD 3.44Å; H149-H294 AromaticContact CD2-CD2 3.84Å; H149-H294 AromaticContact CD2-CE1 3.77Å; H149-H294 AromaticContact CD2-NE2 3.51Å; H149-H294 AromaticContact CE1-CD2 3.09Å; H149-H294 PolarHBondContact CE1-CD2 3.25Å; H149-H294 AromaticContact CE1-CG 3.8Å; H149-H294 AromaticContact CE1-NE2 3.45Å; H149-H294 PolarHBondContact CE1-NE2 2.89Å; H149-H294 AromaticContact CG-CD2 3.8Å; H149-H294 AromaticContact CG-CE1 3.99Å; H149-H294 AromaticContact CG-CG 3.86Å; H149-H294 AromaticContact CG-NE2 3.88Å; H149-H294 AromaticContact ND1-CD2 3.37Å; H149-H294 PolarHBondContact ND1-CD2 3.14Å; H149-H294 AromaticContact ND1-CG 3.57Å; H149-H294 AromaticContact ND1-NE2 3.87Å; H149-H294 AromaticContact NE2-CD2 3.39Å; H149-H294 PolarHBondContact NE2-CD2 2.92Å; H149-H294 AromaticContact NE2-CE1 3.94Å; H149-H294 AromaticContact NE2-NE2 3.2Å; H149-H294 PolarHBondContact NE2-NE2 2.5Å; H149-H294 VanDerWaalsContact NE2-NE2 3.2Å
150P75.8Confident86.4Confident46 Ų4634.1 Ų34.130%0.29920%0.199SC..  trans-58.5131.3172.824.2-31.2000110.3
151K70.8Confident86.5Confident57 Ų5735.9 Ų35.925%0.24821%0.212CC..  trans-136.6127.3175.8-64.6-176.7-174.8-178.20107.9H149 N153 D320H149-K151 PolarHBondContact O-N 3.44Å; K151-N153 CarbonylContact C-O 3.55Å; K151-N153 PolarHBondContact N-O 3.14Å; K151-N153 VanDerWaalsContact N-O 3.11Å; K151-N153 CarbonylContact O-C 3.06Å; K151-N153 PolarHBondContact O-N 2.82Å; K151-D320 IonicContact NZ-OD1 2.81Å; K151-D320 PolarHBondContact NZ-OD1 3.36Å; K151-D320 IonicContact NZ-OD2 3.27Å
152P62Low86.6Confident111 Ų11136.2 Ų36.272%0.72121%0.214SC*.SBend-15.8-23.7-123.519.5-34.3000119.7D290P152-D290 WeakPolarHBondContact CD-OD2 3.32Å
153N65.2Low86.6Confident128 Ų12836.6 Ų36.668%0.68422%0.217SC*.SBendtrans-105.8159.4167.6-59.4-34.3000111.3K151K151-N153 CarbonylContact C-O 3.55Å; K151-N153 PolarHBondContact N-O 3.14Å; K151-N153 VanDerWaalsContact N-O 3.11Å; K151-N153 CarbonylContact O-C 3.06Å; K151-N153 PolarHBondContact O-N 2.82Å
154T74.1Confident86.5Confident87 Ų8738 Ų3853%0.53422%0.223SC..  trans-63.1133.8170.1-48.10000109.5T156T154-T156 PolarHBondContact O-N 3.02Å
155P79.4Confident86.5Confident18 Ų1838 Ų3812%0.11722%0.224CC..  trans-58.3143.5174.325.5-34000109.5V197P155-V197 HydrophobicContact CB-CG2 4.19Å; P155-V197 HydrophobicContact CG-CG2 4.44Å; P155-V197 WeakPolarHBondContact O-CG2 3.39Å
156T87.4Confident86.5Confident39 Ų3938.1 Ų38.124%0.23922%0.224CC..  trans-129.4157.3174.462.90000109T154 D158 T159 L160T154-T156 PolarHBondContact O-N 3.02Å; T156-D158 PolarHBondContact O-N 3.39Å; T156-D158 VanDerWaalsContact O-N 3.09Å; T156-T159 PolarHBondContact N-OG1 3Å; T156-T159 PolarHBondContact O-N 3.42Å; T156-T159 PolarHBondContact O-OG1 3.36Å; T156-T159 WeakPolarHBondContact OG1-CG2 3.33Å; T156-T159 PolarHBondContact OG1-N 2.93Å; T156-T159 PolarHBondContact OG1-OG1 2.92Å; T156-L160 PolarHBondContact O-N 3.28Å; T156-L160 VanDerWaalsContact O-N 3.14Å
157P86.1Confident86.7Confident14 Ų1437.9 Ų37.99%0.09122%0.223CC..THydrogen-bonded Turntrans-54.9-30177.4-27.837.8000113.8D196 V197 F200 A359P157-D196 HydrophobicContact CG-CB 4.13Å; P157-D196 WeakPolarHBondContact CG-O 3.41Å; P157-V197 HydrophobicContact CG-CG2 4.47Å; P157-F200 HydrophobicContact CB-CB 4.09Å; P157-F200 HydrophobicContact CB-CD1 4.48Å; P157-F200 HydrophobicContact CB-CD2 3.91Å; P157-F200 HydrophobicContact CB-CE2 4.49Å; P157-F200 HydrophobicContact CB-CG 3.91Å; P157-F200 HydrophobicContact CG-CB 3.53Å; P157-F200 HydrophobicContact CG-CD2 4.3Å; P157-F200 HydrophobicContact CG-CG 3.91Å; P157-A359 HydrophobicContact CB-CB 3.79Å; P157-A359 PolarHBondContact O-N 2.97Å
158D89.7Confident86.9Confident101 Ų10137.7 Ų37.754%0.5422%0.221SC..THydrogen-bonded Turntrans-81.3-18.5178.1-63.4-63000114.2T156 T357T156-D158 PolarHBondContact O-N 3.39Å; T156-D158 VanDerWaalsContact O-N 3.09Å; D158-T357 WeakPolarHBondContact O-CB 3.42Å; D158-T357 WeakPolarHBondContact O-CG2 3.38Å
159T90Very high87.1Confident91 Ų9137.6 Ų37.656%0.55822%0.221SC*.THydrogen-bonded Turntrans-95.3-17.8176.552.20000112.5T156 S161T156-T159 PolarHBondContact N-OG1 3Å; T156-T159 PolarHBondContact O-N 3.42Å; T156-T159 PolarHBondContact O-OG1 3.36Å; T156-T159 WeakPolarHBondContact OG1-CG2 3.33Å; T156-T159 PolarHBondContact OG1-N 2.93Å; T156-T159 PolarHBondContact OG1-OG1 2.92Å; T159-S161 PolarHBondContact O-N 3.24Å
160L92.4Very high87.4Confident3 Ų337.4 Ų37.42%0.01622%0.22CC..  trans-69.9120.1176-74.1173.3000111.4T156 Q164 V197 A358T156-L160 PolarHBondContact O-N 3.28Å; T156-L160 VanDerWaalsContact O-N 3.14Å; L160-Q164 HydrophobicContact CD2-CB 4.01Å; L160-V197 HydrophobicContact CD1-CG1 4.39Å; L160-V197 HydrophobicContact CD1-CG2 4.46Å; L160-A358 HydrophobicContact CB-CB 3.76Å; L160-A358 WeakPolarHBondContact O-CB 3.43Å; L160-A358 PolarHBondContact O-N 3.42Å
161S93.6Very high88.4Confident41 Ų4135.2 Ų35.229%0.28721%0.206SC..BIsolated β-bridgetrans-71.8161.2168.968.40000111.6T159 G163 Q164 L165T159-S161 PolarHBondContact O-N 3.24Å; S161-G163 VanDerWaalsContact C-N 3.25Å; S161-G163 PolarHBondContact O-N 2.86Å; S161-Q164 WeakPolarHBondContact O-CB 3.39Å; S161-Q164 PolarHBondContact O-N 3.44Å; S161-Q164 VanDerWaalsContact O-N 3.14Å; S161-Q164 WeakPolarHBondContact OG-CG 3.5Å; S161-Q164 PolarHBondContact OG-N 3.41Å; S161-Q164 PolarHBondContact OG-OE1 3.17Å; S161-L165 PolarHBondContact O-N 2.99Å
162L94.9Very high89.7Confident8 Ų832.8 Ų32.84%0.04220%0.195CC..Hα-helixtrans-65-29.8175.6-57.2177.9000113.1L165 R166 V349 T351 L356 Y361 L413L162-L165 HydrophobicContact CD2-CD2 4.44Å; L162-L165 PolarHBondContact O-N 3.38Å; L162-R166 PolarHBondContact O-N 3.09Å; L162-V349 HydrophobicContact CB-CB 3.87Å; L162-V349 HydrophobicContact CB-CG1 3.68Å; L162-V349 HydrophobicContact CB-CG2 4.45Å; L162-V349 HydrophobicContact CD1-CG1 4.24Å; L162-V349 WeakPolarHBondContact O-CG2 3.4Å; L162-T351 HydrophobicContact CD1-CG2 3.49Å; L162-T351 VanDerWaalsContact CD1-CG2 3.49Å; L162-L356 HydrophobicContact CD1-CB 4.35Å; L162-Y361 HydrophobicContact CD2-CD1 3.77Å; L162-Y361 HydrophobicContact CD2-CG 3.8Å; L162-L413 HydrophobicContact CD1-CD1 4Å
163G95.1Very high91.3Very high7 Ų727.6 Ų27.67%0.07216%0.161CC..Hα-helixtrans-63.1-43.1172.200000111.8S161 R166 T167S161-G163 VanDerWaalsContact C-N 3.25Å; S161-G163 PolarHBondContact O-N 2.86Å; G163-R166 WeakPolarHBondContact O-CB 3.32Å; G163-R166 PolarHBondContact O-N 3.14Å; G163-T167 WeakPolarHBondContact O-CG2 3.37Å; G163-T167 PolarHBondContact O-N 2.88Å; G163-T167 VanDerWaalsContact O-N 3.15Å
164Q95.2Very high92.8Very high29 Ų2921.5 Ų21.514%0.13613%0.129CC..Hα-helixtrans-67-43.7174.5-75166.1-48.700111.7A147 L160 S161 R166 T167 V168A147-Q164 HydrophobicContact CB-CB 3.74Å; A147-Q164 HydrophobicContact CB-CG 3.78Å; L160-Q164 HydrophobicContact CD2-CB 4.01Å; S161-Q164 WeakPolarHBondContact O-CB 3.39Å; S161-Q164 PolarHBondContact O-N 3.44Å; S161-Q164 VanDerWaalsContact O-N 3.14Å; S161-Q164 WeakPolarHBondContact OG-CG 3.5Å; S161-Q164 PolarHBondContact OG-N 3.41Å; S161-Q164 PolarHBondContact OG-OE1 3.17Å; Q164-R166 VanDerWaalsContact C-N 3.26Å; Q164-R166 PolarHBondContact O-N 2.97Å; Q164-T167 WeakPolarHBondContact CA-OG1 3.18Å; Q164-T167 PolarHBondContact O-N 3.46Å; Q164-T167 PolarHBondContact O-OG1 3.14Å; Q164-V168 WeakPolarHBondContact O-CG2 3.05Å; Q164-V168 PolarHBondContact O-N 3.44Å
165L96.4Very high93.8Very high2 Ų217.3 Ų17.31%0.0110%0.103CC..Hα-helixtrans-54.9-43.1173.117861.3000111.7S161 L162 T167 V168 L169 F200 L204 A358 Y361 V398 L402S161-L165 PolarHBondContact O-N 2.99Å; L162-L165 HydrophobicContact CD2-CD2 4.44Å; L162-L165 PolarHBondContact O-N 3.38Å; L165-T167 VanDerWaalsContact C-N 3.34Å; L165-T167 PolarHBondContact O-N 2.95Å; L165-V168 PolarHBondContact O-N 2.98Å; L165-L169 HydrophobicContact CD1-CD1 4.34Å; L165-L169 HydrophobicContact CD1-CG 4.32Å; L165-L169 HydrophobicContact CG-CD1 4.18Å; L165-L169 WeakPolarHBondContact O-CG 3.35Å; L165-L169 PolarHBondContact O-N 3.04Å; L165-F200 HydrophobicContact CD1-CE1 3.98Å; L165-F200 HydrophobicContact CD1-CZ 4.18Å; L165-L204 HydrophobicContact CD1-CD1 3.9Å; L165-A358 HydrophobicContact CB-CB 4.07Å; L165-A358 HydrophobicContact CD2-CB 4.05Å; L165-A358 HydrophobicContact CG-CB 4.44Å; L165-Y361 HydrophobicContact CD2-CD1 4.12Å; L165-V398 HydrophobicContact CD2-CG1 4.36Å; L165-L402 HydrophobicContact CD2-CD1 3.96Å; L165-L402 HydrophobicContact CG-CD1 4.04Å
166R97.2Very high94.6Very high1 Ų117.1 Ų17.10%0.00410%0.103CC..Hα-helixtrans-59.9-42.8175.3-173.7-179.7-174.6-157.20.4112L162 G163 Q164 V168 L169 L170 G347 V349 L402 T405 V406 H407 S409L162-R166 PolarHBondContact O-N 3.09Å; G163-R166 WeakPolarHBondContact O-CB 3.32Å; G163-R166 PolarHBondContact O-N 3.14Å; Q164-R166 VanDerWaalsContact C-N 3.26Å; Q164-R166 PolarHBondContact O-N 2.97Å; R166-V168 VanDerWaalsContact C-N 3.34Å; R166-L169 PolarHBondContact O-N 3.35Å; R166-L170 HydrophobicContact CG-CD1 3.99Å; R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 WeakPolarHBondContact O-CG 3.47Å; R166-L170 PolarHBondContact O-N 3.43Å; R166-G347 PolarHBondContact NH1-O 2.94Å; R166-V349 HydrophobicContact CB-CG2 3.96Å; R166-V349 HydrophobicContact CG-CG2 4.48Å; R166-L402 HydrophobicContact CB-CD2 4.33Å; R166-L402 HydrophobicContact CG-CB 4.34Å; R166-L402 PolarHBondContact NE-O 3.27Å; R166-T405 PolarHBondContact NH2-O 2.89Å; R166-T405 VanDerWaalsContact NH2-O 3.14Å; R166-V406 PolarHBondContact NH2-O 3.25Å; R166-H407 PolarHBondContact NH1-O 2.99Å; R166-H407 PolarHBondContact NH2-O 3.45Å; R166-S409 PolarHBondContact NH1-O 3.03Å; R166-S409 PolarHBondContact NH2-O 3.31Å
167T97.5Very high94.9Very high2 Ų215.5 Ų15.51%0.0129%0.093CC..Hα-helixtrans-63.7-39.6176.959.90000111.9A147 G163 Q164 L165 L170 T171 V315 C346A147-T167 WeakPolarHBondContact CB-OG1 3.49Å; G163-T167 WeakPolarHBondContact O-CG2 3.37Å; G163-T167 PolarHBondContact O-N 2.88Å; G163-T167 VanDerWaalsContact O-N 3.15Å; Q164-T167 WeakPolarHBondContact CA-OG1 3.18Å; Q164-T167 PolarHBondContact O-N 3.46Å; Q164-T167 PolarHBondContact O-OG1 3.14Å; L165-T167 VanDerWaalsContact C-N 3.34Å; L165-T167 PolarHBondContact O-N 2.95Å; T167-L170 PolarHBondContact O-N 2.81Å; T167-T171 WeakPolarHBondContact O-CB 3.28Å; T167-T171 PolarHBondContact O-N 3.33Å; T167-T171 PolarHBondContact O-OG1 3.31Å; T167-V315 WeakPolarHBondContact O-CG1 3.46Å; T167-C346 HydrophobicContact CG2-CB 3.92Å
168V97.5Very high95.3Very high1 Ų114.8 Ų14.81%0.0069%0.088CC..Hα-helixtrans-62.6-48.9176.8176.50000110.8A147 L148 Q164 L165 R166 L170 T171 D172 L201 I206A147-V168 HydrophobicContact CB-CG2 4.29Å; L148-V168 HydrophobicContact CD1-CG1 4.3Å; L148-V168 HydrophobicContact CD1-CG2 4.04Å; L148-V168 HydrophobicContact CD2-CG2 3.9Å; L148-V168 HydrophobicContact CG-CG2 3.84Å; Q164-V168 WeakPolarHBondContact O-CG2 3.05Å; Q164-V168 PolarHBondContact O-N 3.44Å; L165-V168 PolarHBondContact O-N 2.98Å; R166-V168 VanDerWaalsContact C-N 3.34Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.43Å; V168-T171 WeakPolarHBondContact O-CB 3.4Å; V168-T171 PolarHBondContact O-N 3.22Å; V168-T171 VanDerWaalsContact O-N 3.1Å; V168-D172 PolarHBondContact O-N 3.34Å; V168-L201 HydrophobicContact CG1-CD1 4.42Å; V168-L201 HydrophobicContact CG1-CD2 3.63Å; V168-I206 HydrophobicContact CG1-CD1 4.24Å
169L97.8Very high95.5Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-63.8-36.8178.6-67.1172.5000113.1L165 R166 T171 H173 I206 V398 R399 L402 L403L165-L169 HydrophobicContact CD1-CD1 4.34Å; L165-L169 HydrophobicContact CD1-CG 4.32Å; L165-L169 HydrophobicContact CG-CD1 4.18Å; L165-L169 WeakPolarHBondContact O-CG 3.35Å; L165-L169 PolarHBondContact O-N 3.04Å; R166-L169 PolarHBondContact O-N 3.35Å; L169-T171 VanDerWaalsContact C-N 3.33Å; L169-H173 VanDerWaalsContact O-CB 3.3Å; L169-H173 WeakPolarHBondContact O-CB 3.42Å; L169-H173 PolarHBondContact O-N 3.02Å; L169-I206 HydrophobicContact CD2-CD1 3.81Å; L169-V398 HydrophobicContact CD1-CG1 3.87Å; L169-R399 HydrophobicContact CD2-CG 4.08Å; L169-L402 HydrophobicContact CD1-CB 4.29Å; L169-L402 HydrophobicContact CD1-CD1 3.54Å; L169-L403 HydrophobicContact CB-CD1 4.34Å; L169-L403 HydrophobicContact CB-CD2 3.94Å; L169-L403 HydrophobicContact CB-CG 4.43Å
170L97.3Very high95.5Very high0 Ų015 Ų150%07%0.071CC..Hα-helixtrans-67.1-37.6173.4-77.2167.3000111.4R166 T167 V168 M174 V315 C346 L403 H407 T509R166-L170 HydrophobicContact CG-CD1 3.99Å; R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 WeakPolarHBondContact O-CG 3.47Å; R166-L170 PolarHBondContact O-N 3.43Å; T167-L170 PolarHBondContact O-N 2.81Å; V168-L170 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.43Å; L170-M174 WeakPolarHBondContact O-CB 3.48Å; L170-M174 WeakPolarHBondContact O-CG 3.26Å; L170-M174 PolarHBondContact O-N 3.02Å; L170-V315 HydrophobicContact CB-CG1 4.06Å; L170-C346 HydrophobicContact CD1-CB 4.25Å; L170-C346 WeakPolarHBondContact CD1-SG 3.36Å; L170-L403 HydrophobicContact CB-CD2 4.49Å; L170-L403 HydrophobicContact CD2-CD2 3.57Å; L170-L403 HydrophobicContact CG-CD2 3.57Å; L170-H407 HydrophobicContact CD1-CB 4.03Å; L170-T509 HydrophobicContact CD2-CG2 3.89Å; L170-T509 WeakPolarHBondContact CD2-OG1 3.3Å
171T97.8Very high95.5Very high0 Ų014.9 Ų14.90%07%0.071CC..Hα-helixtrans-64.8-49177.4-47.90000110.5L143 C145 T167 V168 L169 H173 M174 G175 F187 W208 V315L143-T171 HydrophobicContact CB-CG2 3.69Å; L143-T171 HydrophobicContact CD1-CG2 4.28Å; L143-T171 WeakPolarHBondContact CD1-O 3.29Å; C145-T171 HydrophobicContact CB-CG2 4.24Å; T167-T171 WeakPolarHBondContact O-CB 3.28Å; T167-T171 PolarHBondContact O-N 3.33Å; T167-T171 PolarHBondContact O-OG1 3.31Å; V168-T171 WeakPolarHBondContact O-CB 3.4Å; V168-T171 PolarHBondContact O-N 3.22Å; V168-T171 VanDerWaalsContact O-N 3.1Å; L169-T171 VanDerWaalsContact C-N 3.33Å; T171-H173 PolarHBondContact O-N 2.77Å; T171-M174 PolarHBondContact O-N 2.78Å; T171-G175 PolarHBondContact O-N 2.87Å; T171-F187 HydrophobicContact CG2-CD1 4.01Å; T171-F187 HydrophobicContact CG2-CE1 4.07Å; T171-W208 HydrophobicContact CG2-CH2 3.74Å; T171-W208 HydrophobicContact CG2-CZ3 4.22Å; T171-V315 HydrophobicContact CG2-CG2 4.19Å; T171-V315 VanDerWaalsContact OG1-CB 3.26Å; T171-V315 WeakPolarHBondContact OG1-CB 3.33Å; T171-V315 WeakPolarHBondContact OG1-CG1 3.29Å
172D97.1Very high95.3Very high5 Ų514.7 Ų14.73%0.0278%0.075CC..Hα-helixtrans-54-52.1174.5179.951.9000111.9V168 M174 G175 A176 I206 R399 N566V168-D172 PolarHBondContact O-N 3.34Å; D172-M174 VanDerWaalsContact C-N 3.32Å; D172-M174 PolarHBondContact O-N 2.83Å; D172-G175 PolarHBondContact O-N 3.17Å; D172-G175 VanDerWaalsContact O-N 3.13Å; D172-A176 PolarHBondContact O-N 3.42Å; D172-I206 HydrophobicContact CB-CG1 4.44Å; D172-I206 HydrophobicContact CB-CG2 4.21Å; D172-R399 IonicContact OD2-CZ 2.67Å; D172-R399 IonicContact OD2-NH2 2.93Å; D172-R399 PolarHBondContact OD2-NH2 3.32Å; D172-N566 PolarHBondContact OD1-ND2 3.07Å; D172-N566 PolarHBondContact OD2-ND2 2.94Å
173H96.8Very high95.2Very high2 Ų215.1 Ų15.11%0.0098%0.076CC..Hα-helixtrans-59.4-41178.6-178.844.6000112.7L169 T171 A176 L177 L403 T509 T564L169-H173 VanDerWaalsContact O-CB 3.3Å; L169-H173 WeakPolarHBondContact O-CB 3.42Å; L169-H173 PolarHBondContact O-N 3.02Å; T171-H173 PolarHBondContact O-N 2.77Å; H173-A176 PolarHBondContact O-N 3.06Å; H173-L177 WeakPolarHBondContact CE1-CD1 3.44Å; H173-L177 VanDerWaalsContact NE2-CD1 3.31Å; H173-L177 WeakPolarHBondContact NE2-CD1 3.47Å; H173-L177 PolarHBondContact O-N 3.13Å; H173-L403 HydrophobicContact CB-CD1 4.43Å; H173-T509 PolarHBondContact NE2-O 3.45Å; H173-T564 PolarHBondContact ND1-O 2.87Å
174M95.9Very high95.1Very high0 Ų020.1 Ų20.10%010%0.098CC..Hα-helixtrans-67.1-37.7176.9-67.3-78.467.600112.3L143 L170 T171 D172 A176 L177 L178 L344 S492 I507 T509L143-M174 HydrophobicContact CD1-CB 4.3Å; L170-M174 WeakPolarHBondContact O-CB 3.48Å; L170-M174 WeakPolarHBondContact O-CG 3.26Å; L170-M174 PolarHBondContact O-N 3.02Å; T171-M174 PolarHBondContact O-N 2.78Å; D172-M174 VanDerWaalsContact C-N 3.32Å; D172-M174 PolarHBondContact O-N 2.83Å; M174-A176 PolarHBondContact O-N 3.47Å; M174-L177 HydrophobicContact CE-CB 4.01Å; M174-L177 HydrophobicContact CE-CD1 3.32Å; M174-L177 HydrophobicContact CE-CG 4.26Å; M174-L177 PolarHBondContact O-N 2.94Å; M174-L178 WeakPolarHBondContact O-CB 3.5Å; M174-L178 VanDerWaalsContact O-CG 3.24Å; M174-L178 WeakPolarHBondContact O-CG 3.43Å; M174-L178 PolarHBondContact O-N 2.85Å; M174-L344 HydrophobicContact CG-CD2 4.27Å; M174-S492 WeakPolarHBondContact CE-OG 3.36Å; M174-I507 HydrophobicContact CE-CG2 4.18Å; M174-I507 HydrophobicContact SD-CB 4.28Å; M174-I507 HydrophobicContact SD-CD1 3.94Å; M174-I507 HydrophobicContact SD-CG2 3.68Å; M174-T509 HydrophobicContact CE-CG2 4.29Å; M174-T509 HydrophobicContact CG-CG2 4.39Å; M174-T509 HydrophobicContact SD-CG2 3.72Å
175G95.6Very high95Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-61.3-45.7174.900000112L143 T171 D172 L177 L178 R179L143-G175 VanDerWaalsContact CD1-N 3.26Å; T171-G175 PolarHBondContact O-N 2.87Å; D172-G175 PolarHBondContact O-N 3.17Å; D172-G175 VanDerWaalsContact O-N 3.13Å; G175-L177 PolarHBondContact O-N 3.49Å; G175-L178 PolarHBondContact O-N 2.86Å; G175-R179 WeakPolarHBondContact O-CB 3.43Å; G175-R179 VanDerWaalsContact O-CG 3.29Å; G175-R179 WeakPolarHBondContact O-CG 3.46Å; G175-R179 PolarHBondContact O-N 3.08Å
176A95.2Very high94.9Very high13 Ų1324 Ų2411%0.10711%0.113CC..Hα-helixtrans-62.6-41.8177.300000112.8D172 H173 M174 R180 T564D172-A176 PolarHBondContact O-N 3.42Å; H173-A176 PolarHBondContact O-N 3.06Å; M174-A176 PolarHBondContact O-N 3.47Å; A176-R180 WeakPolarHBondContact O-CG 3.48Å; A176-R180 PolarHBondContact O-N 3.46Å; A176-T564 WeakPolarHBondContact CB-O 3.4Å
177L93.8Very high94.9Very high5 Ų524.6 Ų24.63%0.02612%0.116CC..Hα-helixtrans-68.9-41.9179-81.1173.3000113.2H173 M174 G175 Q181 L489 I512 T564H173-L177 WeakPolarHBondContact CE1-CD1 3.44Å; H173-L177 VanDerWaalsContact NE2-CD1 3.31Å; H173-L177 WeakPolarHBondContact NE2-CD1 3.47Å; H173-L177 PolarHBondContact O-N 3.13Å; M174-L177 HydrophobicContact CE-CB 4.01Å; M174-L177 HydrophobicContact CE-CD1 3.32Å; M174-L177 HydrophobicContact CE-CG 4.26Å; M174-L177 PolarHBondContact O-N 2.94Å; G175-L177 PolarHBondContact O-N 3.49Å; L177-Q181 PolarHBondContact O-N 2.89Å; L177-Q181 PolarHBondContact O-NE2 2.91Å; L177-L489 HydrophobicContact CD2-CD2 3.85Å; L177-I512 HydrophobicContact CD1-CG1 4.45Å; L177-I512 HydrophobicContact CD2-CD1 4.43Å; L177-I512 HydrophobicContact CD2-CG1 4.34Å; L177-T564 HydrophobicContact CD2-CG2 3.77Å; L177-T564 HydrophobicContact CG-CG2 4.46Å
178L93.9Very high94.7Very high0 Ų024.5 Ų24.50%012%0.115CC..Hα-helixtrans-72.1-41-178.2-68.4172000111.6V141 L143 M174 G175 R180 Q181 G182 F183 V185 L496V141-L178 HydrophobicContact CB-CD1 4.42Å; V141-L178 HydrophobicContact CG1-CD1 4Å; V141-L178 HydrophobicContact CG2-CD1 4.45Å; L143-L178 HydrophobicContact CD2-CD1 4.23Å; M174-L178 WeakPolarHBondContact O-CB 3.5Å; M174-L178 VanDerWaalsContact O-CG 3.24Å; M174-L178 WeakPolarHBondContact O-CG 3.43Å; M174-L178 PolarHBondContact O-N 2.85Å; G175-L178 PolarHBondContact O-N 2.86Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 PolarHBondContact O-N 3.38Å; L178-Q181 WeakPolarHBondContact O-CB 3.42Å; L178-Q181 PolarHBondContact O-N 3.29Å; L178-G182 PolarHBondContact O-N 3.47Å; L178-F183 HydrophobicContact CB-CB 4.27Å; L178-F183 HydrophobicContact CB-CD2 4.11Å; L178-F183 HydrophobicContact CD2-CD2 3.85Å; L178-F183 HydrophobicContact CD2-CE2 3.94Å; L178-F183 WeakPolarHBondContact O-CD2 3.44Å; L178-F183 PolarHBondContact O-N 3.24Å; L178-V185 HydrophobicContact CB-CG2 3.7Å; L178-L496 HydrophobicContact CD1-CD1 3.87Å; L178-L496 HydrophobicContact CD2-CD1 3.55Å; L178-L496 HydrophobicContact CG-CD1 4.38Å
179R93.9Very high94.5Very high116 Ų11624.6 Ų24.644%0.43812%0.116SC..Hα-helixtrans-57-41.4173.7-74.8-178.2-174.41295.1112.2G175 Q181 G182 V185G175-R179 WeakPolarHBondContact O-CB 3.43Å; G175-R179 VanDerWaalsContact O-CG 3.29Å; G175-R179 WeakPolarHBondContact O-CG 3.46Å; G175-R179 PolarHBondContact O-N 3.08Å; R179-Q181 PolarHBondContact O-N 2.91Å; R179-G182 PolarHBondContact O-N 3.1Å; R179-V185 HydrophobicContact CG-CB 3.74Å; R179-V185 HydrophobicContact CG-CG2 3.65Å; R179-V185 PolarHBondContact NH2-O 3.24Å
180R91.3Very high94.2Very high81 Ų8126.4 Ų26.431%0.30613%0.127SC..Hα-helixtrans-62.6-32.6177.2-77.7-177.7179.3-85.6-12.1113.1P133 A176 L178 G182 E563P133-R180 HydrophobicContact CG-CB 4.2Å; P133-R180 VanDerWaalsContact CG-O 3.28Å; P133-R180 WeakPolarHBondContact CG-O 3.16Å; A176-R180 WeakPolarHBondContact O-CG 3.48Å; A176-R180 PolarHBondContact O-N 3.46Å; L178-R180 VanDerWaalsContact C-N 3.27Å; L178-R180 PolarHBondContact O-N 3.38Å; R180-G182 PolarHBondContact O-N 3.41Å; R180-E563 IonicContact CZ-OE2 3.96Å; R180-E563 IonicContact NH1-OE2 3.89Å; R180-E563 IonicContact NH2-OE2 3.05Å; R180-E563 PolarHBondContact NH2-OE2 3.05Å
181Q91.1Very high93.9Very high0 Ų026.8 Ų26.80%013%0.129CC..THydrogen-bonded Turntrans-76.4-7.1177.3-72.1167.173.900112.9P133 R137 L177 L178 R179 F183 L489 D490P133-Q181 HydrophobicContact CB-CG 4.01Å; P133-Q181 HydrophobicContact CG-CG 3.98Å; R137-Q181 PolarHBondContact N-O 2.76Å; L177-Q181 PolarHBondContact O-N 2.89Å; L177-Q181 PolarHBondContact O-NE2 2.91Å; L178-Q181 WeakPolarHBondContact O-CB 3.42Å; L178-Q181 PolarHBondContact O-N 3.29Å; R179-Q181 PolarHBondContact O-N 2.91Å; Q181-F183 HydrophobicContact CB-CD2 4.07Å; Q181-F183 HydrophobicContact CB-CE2 4.25Å; Q181-L489 VanDerWaalsContact CD-O 3.22Å; Q181-L489 PolarHBondContact NE2-O 2.91Å; Q181-L489 VanDerWaalsContact NE2-O 3.1Å; Q181-D490 PolarHBondContact OE1-O 2.64Å
182G91.1Very high93.5Very high37 Ų3729.2 Ų29.238%0.38115%0.145SC..THydrogen-bonded Turntrans105.7-4.3178.100000114.8R137 L178 R179 R180R137-G182 CarbonylContact O-C 3.6Å; R137-G182 WeakPolarHBondContact O-CA 3.41Å; R137-G182 VanDerWaalsContact O-O 3.11Å; L178-G182 PolarHBondContact O-N 3.47Å; R179-G182 PolarHBondContact O-N 3.1Å; R180-G182 PolarHBondContact O-N 3.41Å
183F91.3Very high92.9Very high16 Ų1633.8 Ų33.87%0.0717%0.166CC..  trans-68141.1177-67.9-81.1000111.5R137 G139 V141 L178 Q181 V185R137-F183 HydrophobicContact CB-CD2 4.24Å; R137-F183 HydrophobicContact CB-CE1 4.2Å; R137-F183 HydrophobicContact CB-CE2 3.74Å; R137-F183 HydrophobicContact CB-CZ 3.73Å; R137-F183 VanDerWaalsContact CD-CE2 3.43Å; R137-F183 HydrophobicContact CG-CE2 4.22Å; R137-F183 HydrophobicContact CG-CZ 4.28Å; G139-F183 WeakPolarHBondContact O-CA 3.43Å; V141-F183 HydrophobicContact CG2-CB 4.27Å; V141-F183 HydrophobicContact CG2-CD1 3.78Å; V141-F183 HydrophobicContact CG2-CE1 4.32Å; V141-F183 HydrophobicContact CG2-CG 4.09Å; L178-F183 HydrophobicContact CB-CB 4.27Å; L178-F183 HydrophobicContact CB-CD2 4.11Å; L178-F183 HydrophobicContact CD2-CD2 3.85Å; L178-F183 HydrophobicContact CD2-CE2 3.94Å; L178-F183 WeakPolarHBondContact O-CD2 3.44Å; L178-F183 PolarHBondContact O-N 3.24Å; Q181-F183 HydrophobicContact CB-CD2 4.07Å; Q181-F183 HydrophobicContact CB-CE2 4.25Å; F183-V185 HydrophobicContact CB-CG2 4.05Å; F183-V185 PolarHBondContact O-N 2.94Å
184E92.8Very high92.3Very high113 Ų11341.5 Ų41.553%0.52821%0.207SC..EExtended strand (participates in β ladder)trans-74.3123161-66.9-166.6178.600108.8G139 C140 V141 Y186G139-E184 PolarHBondContact O-N 3.25Å; C140-E184 WeakPolarHBondContact CA-O 3.39Å; V141-E184 PolarHBondContact N-O 3.05Å; E184-Y186 HydrophobicContact CB-CE2 3.92Å; E184-Y186 PolarHBondContact OE2-OH 2.98Å
185V94.3Very high91.9Very high11 Ų1142.2 Ų42.27%0.06721%0.212CC..EExtended strand (participates in β ladder)trans-123.9121.7-174.6-175.60000111.6V141 L143 L178 R179 F183V141-V185 WeakPolarHBondContact O-CA 3.5Å; L143-V185 HydrophobicContact CD1-CG1 3.52Å; L143-V185 HydrophobicContact CG-CG1 3.74Å; L178-V185 HydrophobicContact CB-CG2 3.7Å; R179-V185 HydrophobicContact CG-CB 3.74Å; R179-V185 HydrophobicContact CG-CG2 3.65Å; R179-V185 PolarHBondContact NH2-O 3.24Å; F183-V185 HydrophobicContact CB-CG2 4.05Å; F183-V185 PolarHBondContact O-N 2.94Å
186Y94.6Very high91.7Very high102 Ų10247.5 Ų47.540%0.424%0.241SC..EExtended strand (participates in β ladder)trans-112.4142176.2-56.1-89000109.8C140 V141 V142 L143 E184 I305C140-Y186 VanDerWaalsContact SG-CD2 3.53Å; C140-Y186 WeakPolarHBondContact SG-CE2 3.5Å; V141-Y186 PolarHBondContact O-N 2.92Å; V142-Y186 CarbonylContact C-O 3.43Å; V142-Y186 WeakPolarHBondContact CA-O 3.48Å; L143-Y186 PolarHBondContact N-O 2.63Å; E184-Y186 HydrophobicContact CB-CE2 3.92Å; E184-Y186 PolarHBondContact OE2-OH 2.98Å; Y186-I305 HydrophobicContact CD2-CD1 4.19Å; Y186-I305 HydrophobicContact CE2-CD1 4.21Å
187F95.5Very high91.6Very high13 Ų1347 Ų476%0.05724%0.236CC..EExtended strand (participates in β ladder)trans-103.1142.5176.9-67.4-77.4000110.5L143 T171 W208 P209L143-F187 HydrophobicContact CB-CD1 3.82Å; L143-F187 HydrophobicContact CB-CE1 4.21Å; L143-F187 HydrophobicContact CD1-CD1 4.05Å; L143-F187 HydrophobicContact CD1-CE1 3.59Å; L143-F187 HydrophobicContact CD1-CZ 4.34Å; T171-F187 HydrophobicContact CG2-CD1 4.01Å; T171-F187 HydrophobicContact CG2-CE1 4.07Å; F187-W208 HydrophobicContact CB-CH2 4.25Å; F187-W208 HydrophobicContact CB-CZ2 3.89Å; F187-W208 HydrophobicContact CD1-CE3 4.37Å; F187-W208 AromaticContact CD1-CH2 3.67Å; F187-W208 HydrophobicContact CD1-CH2 3.67Å; F187-W208 HydrophobicContact CD1-CZ2 4.2Å; F187-W208 AromaticContact CD1-CZ3 3.77Å; F187-W208 HydrophobicContact CD1-CZ3 3.77Å; F187-W208 HydrophobicContact CE1-CH2 4.34Å; F187-W208 HydrophobicContact CE1-CZ3 4.05Å; F187-W208 HydrophobicContact CG-CH2 4.25Å; F187-W208 HydrophobicContact CG-CZ2 4.36Å; F187-W208 HydrophobicContact CG-CZ3 4.34Å; F187-P209 HydrophobicContact CB-CG 3.72Å
188C94.3Very high91.5Very high0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-132.2131.2176.71690000109.3V142 L143 N144 C145 H149 S301V142-C188 HydrophobicContact CG1-CB 4.01Å; L143-C188 PolarHBondContact O-N 2.98Å; N144-C188 CarbonylContact C-O 3.58Å; N144-C188 WeakPolarHBondContact CA-O 3.46Å; C145-C188 PolarHBondContact N-O 2.96Å; H149-C188 VanDerWaalsContact CE1-SG 3.58Å; C188-S301 WeakPolarHBondContact CB-OG 3.46Å
189P93.3Very high91.5Very high2 Ų250.1 Ų50.11%0.01326%0.263CS..SBendcis-85.3168.36.634.3-31.5000113.1L148 H149 L191 W208 Q297L148-P189 HydrophobicContact CB-CG 3.9Å; L148-P189 WeakPolarHBondContact O-CG 3.47Å; H149-P189 WeakPolarHBondContact NE2-CD 3.44Å; P189-L191 HydrophobicContact CG-CD2 4.4Å; P189-W208 PolarHBondContact O-NE1 3.2Å; P189-Q297 HydrophobicContact CB-CB 4.37Å; P189-Q297 HydrophobicContact CB-CG 4.09Å
190T91.4Very high91.5Very high39 Ų3945.4 Ų45.424%0.23925%0.245CC..PPolyproline II helixtrans-80.1129.9162.2-57.80000109.3P209 A211T190-P209 HydrophobicContact CG2-CB 4.4Å; T190-A211 HydrophobicContact CG2-CB 3.49Å; T190-A211 VanDerWaalsContact CG2-CB 3.49Å
191L90.9Very high91.6Very high8 Ų841.6 Ų41.64%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-90.3155.1-177.4-63.9178.1000111.9L148 P189 V197 A198 L201 W208 P209 T210 A211L148-L191 HydrophobicContact CB-CD2 4.32Å; P189-L191 HydrophobicContact CG-CD2 4.4Å; L191-V197 HydrophobicContact CD1-CG1 4.2Å; L191-A198 HydrophobicContact CD1-CB 4.45Å; L191-L201 HydrophobicContact CD1-CD1 3.86Å; L191-W208 HydrophobicContact CD1-CB 4.38Å; L191-W208 VanDerWaalsContact CD1-CD1 3.45Å; L191-W208 HydrophobicContact CD1-CG 3.99Å; L191-P209 PolarHBondContact N-O 3.47Å; L191-T210 HydrophobicContact CB-CG2 4.3Å; L191-T210 CarbonylContact O-C 3.57Å; L191-T210 WeakPolarHBondContact O-CA 3.35Å; L191-A211 PolarHBondContact O-N 3.25Å
192P88.6Confident91.7Very high51 Ų5148 Ų4833%0.33126%0.261SS..EExtended strand (participates in β ladder)trans-65.8135.3167.8-17.331.1000110.9D194 S195 A211P192-D194 VanDerWaalsContact C-N 3.33Å; P192-D194 PolarHBondContact O-N 3.26Å; P192-S195 VanDerWaalsContact O-CB 3.29Å; P192-S195 WeakPolarHBondContact O-CB 3.37Å; P192-S195 PolarHBondContact O-N 2.87Å; P192-S195 VanDerWaalsContact O-N 3.1Å; P192-S195 PolarHBondContact O-OG 3.37Å; P192-A211 WeakPolarHBondContact CA-O 3.48Å
193E85.4Confident91.7Very high101 Ų10148.2 Ų48.247%0.47226%0.259SS..THydrogen-bonded Turntrans-51.2-46.3-178.9-78.1173.7-178.900113.3S195 A211E193-S195 VanDerWaalsContact C-N 3.29Å; E193-S195 PolarHBondContact O-N 2.99Å; E193-A211 PolarHBondContact N-O 2.95Å; E193-A211 VanDerWaalsContact N-O 3.14Å
194D83.9Confident91.7Very high163 Ų16347.5 Ų47.587%0.87226%0.256SS*.THydrogen-bonded Turntrans-90.421.3-177.6-58.5-51.8000113.7P192P192-D194 VanDerWaalsContact C-N 3.33Å; P192-D194 PolarHBondContact O-N 3.26Å
195S88.5Confident91.7Very high16 Ų1644 Ų4411%0.11225%0.25CC..  trans-80.4139.2-179.466.80000112.9P192 E193 V197 A198 A199P192-S195 VanDerWaalsContact O-CB 3.29Å; P192-S195 WeakPolarHBondContact O-CB 3.37Å; P192-S195 PolarHBondContact O-N 2.87Å; P192-S195 VanDerWaalsContact O-N 3.1Å; P192-S195 PolarHBondContact O-OG 3.37Å; E193-S195 VanDerWaalsContact C-N 3.29Å; E193-S195 PolarHBondContact O-N 2.99Å; S195-V197 PolarHBondContact O-N 2.85Å; S195-V197 VanDerWaalsContact O-N 3.12Å; S195-A198 WeakPolarHBondContact O-CB 2.94Å; S195-A198 PolarHBondContact O-N 3.34Å; S195-A198 WeakPolarHBondContact OG-CB 3.44Å; S195-A198 PolarHBondContact OG-N 3.23Å; S195-A199 PolarHBondContact O-N 2.95Å
196D91.1Very high91.7Very high111 Ų11143.7 Ų43.759%0.59425%0.248SC*.Hα-helixtrans-55.8-31.3175.2-65.6-29.7000112.6P157 F200P157-D196 HydrophobicContact CG-CB 4.13Å; P157-D196 WeakPolarHBondContact CG-O 3.41Å; D196-F200 WeakPolarHBondContact O-CB 3Å; D196-F200 PolarHBondContact O-N 3.35Å
197V92Very high91.6Very high1 Ų145.5 Ų45.51%0.00626%0.264CS..Hα-helixtrans-69.1-43.8176.11760000111.3L148 P155 P157 L160 L191 S195 A199 F200 L201L148-V197 HydrophobicContact CD2-CG1 3.73Å; P155-V197 HydrophobicContact CB-CG2 4.19Å; P155-V197 HydrophobicContact CG-CG2 4.44Å; P155-V197 WeakPolarHBondContact O-CG2 3.39Å; P157-V197 HydrophobicContact CG-CG2 4.47Å; L160-V197 HydrophobicContact CD1-CG1 4.39Å; L160-V197 HydrophobicContact CD1-CG2 4.46Å; L191-V197 HydrophobicContact CD1-CG1 4.2Å; S195-V197 PolarHBondContact O-N 2.85Å; S195-V197 VanDerWaalsContact O-N 3.12Å; V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.18Å; V197-F200 WeakPolarHBondContact O-CB 3.42Å; V197-F200 PolarHBondContact O-N 3.45Å; V197-F200 VanDerWaalsContact O-N 3.17Å; V197-L201 HydrophobicContact CG1-CD1 4.22Å; V197-L201 HydrophobicContact CG1-CG 4.18Å; V197-L201 VanDerWaalsContact O-CG 3.29Å; V197-L201 WeakPolarHBondContact O-CG 3.29Å; V197-L201 PolarHBondContact O-N 2.91Å
198A92.4Very high91.5Very high14 Ų1445.4 Ų45.412%0.11626%0.264CS..Hα-helixtrans-59.1-45.7176.800000111.1L191 S195 F200 L201 Q202 T210L191-A198 HydrophobicContact CD1-CB 4.45Å; S195-A198 WeakPolarHBondContact O-CB 2.94Å; S195-A198 PolarHBondContact O-N 3.34Å; S195-A198 WeakPolarHBondContact OG-CB 3.44Å; S195-A198 PolarHBondContact OG-N 3.23Å; A198-F200 VanDerWaalsContact C-N 3.34Å; A198-F200 PolarHBondContact O-N 2.83Å; A198-L201 PolarHBondContact O-N 3.25Å; A198-Q202 WeakPolarHBondContact O-CB 2.93Å; A198-Q202 PolarHBondContact O-N 3.05Å; A198-T210 HydrophobicContact CB-CG2 3.98Å
199A92.7Very high91.5Very high57 Ų5747.4 Ų47.447%0.47128%0.277SS..Hα-helixtrans-60.8-40.617500000112.5S195 V197 Q202 A203S195-A199 PolarHBondContact O-N 2.95Å; V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.18Å; A199-Q202 PolarHBondContact O-N 3.2Å; A199-A203 WeakPolarHBondContact O-CB 3.44Å; A199-A203 PolarHBondContact O-N 2.59Å
200F94.1Very high91.4Very high17 Ų1750.3 Ų50.38%0.07530%0.295CS..Hα-helixtrans-64.1-41.7175.3171.8-98.9000112.9P157 L165 D196 V197 A198 A203 L204 A358 L362P157-F200 HydrophobicContact CB-CB 4.09Å; P157-F200 HydrophobicContact CB-CD1 4.48Å; P157-F200 HydrophobicContact CB-CD2 3.91Å; P157-F200 HydrophobicContact CB-CE2 4.49Å; P157-F200 HydrophobicContact CB-CG 3.91Å; P157-F200 HydrophobicContact CG-CB 3.53Å; P157-F200 HydrophobicContact CG-CD2 4.3Å; P157-F200 HydrophobicContact CG-CG 3.91Å; L165-F200 HydrophobicContact CD1-CE1 3.98Å; L165-F200 HydrophobicContact CD1-CZ 4.18Å; D196-F200 WeakPolarHBondContact O-CB 3Å; D196-F200 PolarHBondContact O-N 3.35Å; V197-F200 WeakPolarHBondContact O-CB 3.42Å; V197-F200 PolarHBondContact O-N 3.45Å; V197-F200 VanDerWaalsContact O-N 3.17Å; A198-F200 VanDerWaalsContact C-N 3.34Å; A198-F200 PolarHBondContact O-N 2.83Å; F200-A203 WeakPolarHBondContact O-CB 3.27Å; F200-A203 PolarHBondContact O-N 3.26Å; F200-L204 HydrophobicContact CD1-CD1 4.38Å; F200-L204 HydrophobicContact CE1-CD1 3.78Å; F200-L204 HydrophobicContact CZ-CD1 3.91Å; F200-L204 PolarHBondContact O-N 2.79Å; F200-A358 HydrophobicContact CE1-CB 4.23Å; F200-A358 HydrophobicContact CZ-CB 3.83Å; F200-L362 HydrophobicContact CD2-CD2 3.93Å; F200-L362 HydrophobicContact CE2-CB 4.05Å; F200-L362 HydrophobicContact CE2-CD2 3.43Å; F200-L362 VanDerWaalsContact CE2-CD2 3.43Å; F200-L362 HydrophobicContact CE2-CG 4.38Å; F200-L362 HydrophobicContact CZ-CD2 4.22Å
201L95.1Very high91.1Very high1 Ų149.8 Ų49.81%0.00529%0.294CS..Hα-helixtrans-65.2-42.3175.4-65.1-173.4000111.2L148 V168 L191 V197 A198 A203 L204 G205 I206 W208L148-L201 HydrophobicContact CD1-CD1 4.15Å; L148-L201 HydrophobicContact CD2-CD1 4.42Å; V168-L201 HydrophobicContact CG1-CD1 4.42Å; V168-L201 HydrophobicContact CG1-CD2 3.63Å; L191-L201 HydrophobicContact CD1-CD1 3.86Å; V197-L201 HydrophobicContact CG1-CD1 4.22Å; V197-L201 HydrophobicContact CG1-CG 4.18Å; V197-L201 VanDerWaalsContact O-CG 3.29Å; V197-L201 WeakPolarHBondContact O-CG 3.29Å; V197-L201 PolarHBondContact O-N 2.91Å; A198-L201 PolarHBondContact O-N 3.25Å; L201-A203 VanDerWaalsContact C-N 3.28Å; L201-A203 PolarHBondContact O-N 3.34Å; L201-L204 CarbonylContact O-C 3.5Å; L201-L204 WeakPolarHBondContact O-CA 3.22Å; L201-L204 WeakPolarHBondContact O-CB 3.44Å; L201-L204 PolarHBondContact O-N 2.86Å; L201-G205 PolarHBondContact O-N 2.64Å; L201-I206 CarbonylContact C-O 3.43Å; L201-I206 HydrophobicContact CB-CB 4.07Å; L201-I206 HydrophobicContact CB-CD1 4.48Å; L201-I206 HydrophobicContact CB-CG2 4.35Å; L201-I206 HydrophobicContact CD2-CD1 3.92Å; L201-I206 WeakPolarHBondContact O-CB 3.47Å; L201-I206 PolarHBondContact O-N 3.47Å; L201-W208 HydrophobicContact CD1-CB 3.87Å; L201-W208 HydrophobicContact CD1-CD2 4.2Å; L201-W208 HydrophobicContact CD1-CE3 4.41Å; L201-W208 HydrophobicContact CD1-CG 3.95Å
202Q92.8Very high90.7Very high136 Ų13651.5 Ų51.564%0.63631%0.305SS*.Hα-helixtrans-63.6-33.1174.6-164.8-175.522.600112.3A198 A199 L204 G205A198-Q202 WeakPolarHBondContact O-CB 2.93Å; A198-Q202 PolarHBondContact O-N 3.05Å; A199-Q202 PolarHBondContact O-N 3.2Å; Q202-L204 PolarHBondContact O-N 3.17Å; Q202-G205 PolarHBondContact O-N 2.75Å
203A90.6Very high89.6Confident40 Ų4053.3 Ų53.333%0.33133%0.325SS..Hα-helixtrans-64.5-28.6172.600000112.6A199 F200 L201 G205 K391A199-A203 WeakPolarHBondContact O-CB 3.44Å; A199-A203 PolarHBondContact O-N 2.59Å; F200-A203 WeakPolarHBondContact O-CB 3.27Å; F200-A203 PolarHBondContact O-N 3.26Å; L201-A203 VanDerWaalsContact C-N 3.28Å; L201-A203 PolarHBondContact O-N 3.34Å; A203-G205 VanDerWaalsContact C-N 3.3Å; A203-K391 WeakPolarHBondContact O-CE 3.25Å
204L91.8Very high87.9Confident2 Ų255.9 Ų55.91%0.0134%0.337CS..THydrogen-bonded Turntrans-82.3-4.9170.5-70.2166.5000113.1L165 F200 L201 Q202 I206 L362 S395 V398 R399L165-L204 HydrophobicContact CD1-CD1 3.9Å; F200-L204 HydrophobicContact CD1-CD1 4.38Å; F200-L204 HydrophobicContact CE1-CD1 3.78Å; F200-L204 HydrophobicContact CZ-CD1 3.91Å; F200-L204 PolarHBondContact O-N 2.79Å; L201-L204 CarbonylContact O-C 3.5Å; L201-L204 WeakPolarHBondContact O-CA 3.22Å; L201-L204 WeakPolarHBondContact O-CB 3.44Å; L201-L204 PolarHBondContact O-N 2.86Å; Q202-L204 PolarHBondContact O-N 3.17Å; L204-I206 HydrophobicContact CB-CD1 3.95Å; L204-I206 HydrophobicContact CB-CG1 4.1Å; L204-I206 HydrophobicContact CD1-CD1 4.18Å; L204-L362 HydrophobicContact CD2-CD1 3.67Å; L204-L362 HydrophobicContact CD2-CD2 4.09Å; L204-L362 HydrophobicContact CG-CD2 4.2Å; L204-S395 PolarHBondContact O-OG 2.81Å; L204-V398 HydrophobicContact CD2-CG1 4.39Å; L204-R399 PolarHBondContact O-NH1 2.7Å; L204-R399 PolarHBondContact O-NH2 2.91Å
205G91.6Very high86.4Confident39 Ų3952.3 Ų52.340%0.40232%0.323SS..THydrogen-bonded Turntrans77.923.2-17500000113.4L201 Q202 A203 N566L201-G205 PolarHBondContact O-N 2.64Å; Q202-G205 PolarHBondContact O-N 2.75Å; A203-G205 VanDerWaalsContact C-N 3.3Å; G205-N566 WeakPolarHBondContact O-CB 3.3Å
206I94.6Very high84.8Confident4 Ų454.3 Ų54.32%0.02134%0.341CS..  trans-93.4125.3175.7-58166.7000107.7V168 L169 D172 L201 L204 W208 R399V168-I206 HydrophobicContact CG1-CD1 4.24Å; L169-I206 HydrophobicContact CD2-CD1 3.81Å; D172-I206 HydrophobicContact CB-CG1 4.44Å; D172-I206 HydrophobicContact CB-CG2 4.21Å; L201-I206 CarbonylContact C-O 3.43Å; L201-I206 HydrophobicContact CB-CB 4.07Å; L201-I206 HydrophobicContact CB-CD1 4.48Å; L201-I206 HydrophobicContact CB-CG2 4.35Å; L201-I206 HydrophobicContact CD2-CD1 3.92Å; L201-I206 WeakPolarHBondContact O-CB 3.47Å; L201-I206 PolarHBondContact O-N 3.47Å; L204-I206 HydrophobicContact CB-CD1 3.95Å; L204-I206 HydrophobicContact CB-CG1 4.1Å; L204-I206 HydrophobicContact CD1-CD1 4.18Å; I206-W208 HydrophobicContact CG2-CB 4.38Å; I206-W208 HydrophobicContact CG2-CE3 4.01Å; I206-R399 VanDerWaalsContact CG1-NH2 3.29Å
207D92.1Very high83.7Confident140 Ų14050 Ų5075%0.74932%0.318SS*.  trans-95.696.2172.1-17325.1000108.8
208W94.7Very high83.1Confident12 Ų1253.6 Ų53.65%0.04534%0.337CS..  trans-103.5140.6-177.9-160.2-84.4000109.8C145 L148 T171 F187 P189 L191 L201 I206 T210C145-W208 HydrophobicContact CB-CH2 3.73Å; C145-W208 HydrophobicContact CB-CZ2 3.96Å; L148-W208 HydrophobicContact CD1-CD2 3.86Å; L148-W208 VanDerWaalsContact CD1-CE2 3.44Å; L148-W208 HydrophobicContact CD1-CE3 4.21Å; L148-W208 HydrophobicContact CD1-CH2 3.8Å; L148-W208 HydrophobicContact CD1-CZ2 3.43Å; L148-W208 VanDerWaalsContact CD1-CZ2 3.43Å; L148-W208 HydrophobicContact CD1-CZ3 4.17Å; T171-W208 HydrophobicContact CG2-CH2 3.74Å; T171-W208 HydrophobicContact CG2-CZ3 4.22Å; F187-W208 HydrophobicContact CB-CH2 4.25Å; F187-W208 HydrophobicContact CB-CZ2 3.89Å; F187-W208 HydrophobicContact CD1-CE3 4.37Å; F187-W208 AromaticContact CD1-CH2 3.67Å; F187-W208 HydrophobicContact CD1-CH2 3.67Å; F187-W208 HydrophobicContact CD1-CZ2 4.2Å; F187-W208 AromaticContact CD1-CZ3 3.77Å; F187-W208 HydrophobicContact CD1-CZ3 3.77Å; F187-W208 HydrophobicContact CE1-CH2 4.34Å; F187-W208 HydrophobicContact CE1-CZ3 4.05Å; F187-W208 HydrophobicContact CG-CH2 4.25Å; F187-W208 HydrophobicContact CG-CZ2 4.36Å; F187-W208 HydrophobicContact CG-CZ3 4.34Å; P189-W208 PolarHBondContact O-NE1 3.2Å; L191-W208 HydrophobicContact CD1-CB 4.38Å; L191-W208 VanDerWaalsContact CD1-CD1 3.45Å; L191-W208 HydrophobicContact CD1-CG 3.99Å; L201-W208 HydrophobicContact CD1-CB 3.87Å; L201-W208 HydrophobicContact CD1-CD2 4.2Å; L201-W208 HydrophobicContact CD1-CE3 4.41Å; L201-W208 HydrophobicContact CD1-CG 3.95Å; I206-W208 HydrophobicContact CG2-CB 4.38Å; I206-W208 HydrophobicContact CG2-CE3 4.01Å; W208-T210 PolarHBondContact O-N 3.13Å
209P93.1Very high82.7Confident41 Ų4161.1 Ų61.127%0.26637%0.37SS..  trans-60.4132.4-178.925.5-37.6000112.1F187 T190 L191F187-P209 HydrophobicContact CB-CG 3.72Å; T190-P209 HydrophobicContact CG2-CB 4.4Å; L191-P209 PolarHBondContact N-O 3.47Å
210T91.1Very high82.5Confident64 Ų6461.6 Ų61.639%0.39336%0.36SS..EExtended strand (participates in β ladder)trans-121.2150.7174.355.10000111.6L191 A198 W208L191-T210 HydrophobicContact CB-CG2 4.3Å; L191-T210 CarbonylContact O-C 3.57Å; L191-T210 WeakPolarHBondContact O-CA 3.35Å; A198-T210 HydrophobicContact CB-CG2 3.98Å; W208-T210 PolarHBondContact O-N 3.13Å
211A86.9Confident82.2Confident27 Ų2761.8 Ų61.822%0.22336%0.361CS..EExtended strand (participates in β ladder)trans-139.6157.8171.500000110.9T190 L191 P192 E193 A213T190-A211 HydrophobicContact CG2-CB 3.49Å; T190-A211 VanDerWaalsContact CG2-CB 3.49Å; L191-A211 PolarHBondContact O-N 3.25Å; P192-A211 WeakPolarHBondContact CA-O 3.48Å; E193-A211 PolarHBondContact N-O 2.95Å; E193-A211 VanDerWaalsContact N-O 3.14Å; A211-A213 PolarHBondContact O-N 3.48Å
212P81.5Confident81.9Confident44 Ų4467 Ų6729%0.28639%0.385SS..  trans-60.6138.3174.6-20.831.5000111.2H214 C215P212-H214 WeakPolarHBondContact CB-CE1 3.28Å; P212-H214 WeakPolarHBondContact CB-NE2 3.24Å; P212-H214 PolarHBondContact O-N 3.15Å; P212-C215 PolarHBondContact O-N 2.95Å
213A64.6Low81.8Confident90 Ų9066.9 Ų66.974%0.74438%0.382SS*.THydrogen-bonded Turntrans-58.6-16.3-173.300000114.9A211A211-A213 PolarHBondContact O-N 3.48Å
214H49.7Very low81.8Confident155 Ų15565.3 Ų65.372%0.71837%0.368SS*.THydrogen-bonded Turntrans-91.80.3-179.650.4-91000114.4P212 A216P212-H214 WeakPolarHBondContact CB-CE1 3.28Å; P212-H214 WeakPolarHBondContact CB-NE2 3.24Å; P212-H214 PolarHBondContact O-N 3.15Å; H214-A216 PolarHBondContact O-N 3.14Å
215C53.3Low81.7Confident87 Ų8767.7 Ų67.759%0.58838%0.379SS*.SBendtrans-71.270.6161.8-81.90000108.8P212 N217P212-C215 PolarHBondContact O-N 2.95Å; C215-N217 PolarHBondContact O-N 3.37Å
216A55.6Low81.7Confident59 Ų5971 Ų7149%0.48838%0.382SS..  trans-66.8116.1-174.500000109.8H214 D218H214-A216 PolarHBondContact O-N 3.14Å; A216-D218 HydrophobicContact CB-CB 4.24Å; A216-D218 PolarHBondContact O-N 3.16Å
217N67.8Low81.5Confident21 Ų2172.4 Ų72.411%0.11240%0.395CS..THydrogen-bonded Turntrans-64.30.7167.2-82.2-16.2000112.8C215 E219 R220 E221 A296 Q297C215-N217 PolarHBondContact O-N 3.37Å; N217-E219 VanDerWaalsContact C-N 3.3Å; N217-E219 PolarHBondContact O-N 2.93Å; N217-R220 CarbonylContact O-C 3.53Å; N217-R220 WeakPolarHBondContact O-CA 3.45Å; N217-R220 WeakPolarHBondContact O-CB 3.48Å; N217-R220 PolarHBondContact O-N 2.92Å; N217-E221 HydrophobicContact CB-CG 4.24Å; N217-E221 WeakPolarHBondContact O-CG 3.39Å; N217-E221 PolarHBondContact O-N 3.15Å; N217-A296 HydrophobicContact CB-CB 4.37Å; N217-Q297 WeakPolarHBondContact ND2-CG 3.4Å; N217-Q297 PolarHBondContact ND2-NE2 2.82Å
218D78.5Confident81.5Confident76 Ų7665.7 Ų65.741%0.40636%0.359SS..Hα-helixtrans-54.2-42.1-172-66.6-23.6000112.5A216 R220 E221 E222 R289A216-D218 HydrophobicContact CB-CB 4.24Å; A216-D218 PolarHBondContact O-N 3.16Å; D218-R220 PolarHBondContact O-N 3.49Å; D218-E221 PolarHBondContact O-N 2.81Å; D218-E222 WeakPolarHBondContact O-CG 3.43Å; D218-E222 PolarHBondContact O-N 2.82Å; D218-R289 IonicContact OD1-NH2 3.87Å; D218-R289 PolarHBondContact OD1-NH2 3.06Å
219E85.4Confident81.2Confident171 Ų17168.7 Ų68.780%0.79937%0.374SS*.Hα-helixtrans-64.2-39.1175.2-66.8-173.1174.400112.8N217 K223N217-E219 VanDerWaalsContact C-N 3.3Å; N217-E219 PolarHBondContact O-N 2.93Å; E219-K223 WeakPolarHBondContact O-CB 3.1Å; E219-K223 PolarHBondContact O-N 3.1Å
220R87Confident81.1Confident68 Ų6873.2 Ų73.226%0.25740%0.396SS..Hα-helixtrans-72.7-39.2176.8-73.1-173.7-179.5-103.67.8111.5N217 D218 E222 K223 I224 A296 D299N217-R220 CarbonylContact O-C 3.53Å; N217-R220 WeakPolarHBondContact O-CA 3.45Å; N217-R220 WeakPolarHBondContact O-CB 3.48Å; N217-R220 PolarHBondContact O-N 2.92Å; D218-R220 PolarHBondContact O-N 3.49Å; R220-E222 VanDerWaalsContact C-N 3.32Å; R220-E222 PolarHBondContact O-N 2.92Å; R220-K223 WeakPolarHBondContact O-CB 3.39Å; R220-K223 PolarHBondContact O-N 2.75Å; R220-K223 VanDerWaalsContact O-N 3.16Å; R220-I224 WeakPolarHBondContact O-CG1 3.42Å; R220-I224 PolarHBondContact O-N 2.62Å; R220-A296 HydrophobicContact CB-CB 4.04Å; R220-D299 IonicContact NH1-OD2 2.85Å; R220-D299 PolarHBondContact NH1-OD2 2.89Å
221E88.9Confident81.1Confident20 Ų2070.6 Ų70.69%0.09338%0.38CS..Hα-helixtrans-57.8-47.4173.3-73.8-175.9-170.700109.8N217 D218 K223 I224 Q225 R289 V292 S293 A296N217-E221 HydrophobicContact CB-CG 4.24Å; N217-E221 WeakPolarHBondContact O-CG 3.39Å; N217-E221 PolarHBondContact O-N 3.15Å; D218-E221 PolarHBondContact O-N 2.81Å; E221-K223 PolarHBondContact O-N 2.76Å; E221-I224 PolarHBondContact O-N 3.35Å; E221-Q225 VanDerWaalsContact O-CB 3.26Å; E221-Q225 WeakPolarHBondContact O-CB 3.26Å; E221-Q225 PolarHBondContact O-N 3.35Å; E221-R289 IonicContact OE2-CZ 3.1Å; E221-R289 IonicContact OE2-NE 2.75Å; E221-R289 PolarHBondContact OE2-NE 2.57Å; E221-R289 VanDerWaalsContact OE2-NE 3.12Å; E221-R289 IonicContact OE2-NH2 3.93Å; E221-V292 HydrophobicContact CB-CG1 3.83Å; E221-V292 HydrophobicContact CG-CG1 4.19Å; E221-V292 WeakPolarHBondContact O-CG1 3.39Å; E221-S293 WeakPolarHBondContact OE1-CA 3.37Å; E221-S293 WeakPolarHBondContact OE1-CB 3.42Å; E221-S293 PolarHBondContact OE1-OG 3.29Å; E221-A296 HydrophobicContact CG-CB 3.73Å
222E89Confident81.1Confident111 Ų11174.1 Ų74.152%0.51940%0.401SS..Hα-helixtrans-60.1-42.6173.3-79.2-165.7-16400112.8D218 R220 Q225 K226D218-E222 WeakPolarHBondContact O-CG 3.43Å; D218-E222 PolarHBondContact O-N 2.82Å; R220-E222 VanDerWaalsContact C-N 3.32Å; R220-E222 PolarHBondContact O-N 2.92Å; E222-Q225 PolarHBondContact O-N 2.95Å; E222-K226 WeakPolarHBondContact O-CB 3.32Å; E222-K226 VanDerWaalsContact O-CG 3.26Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 3.02Å; E222-K226 IonicContact OE2-NZ 2.88Å; E222-K226 PolarHBondContact OE2-NZ 2.74Å
223K90.3Very high81.5Confident134 Ų13473.4 Ų73.458%0.58339%0.392SS*.Hα-helixtrans-62.8-45.6178.7-175.2-176.4175.9-168.50111.3E219 R220 E221 K226 A227E219-K223 WeakPolarHBondContact O-CB 3.1Å; E219-K223 PolarHBondContact O-N 3.1Å; R220-K223 WeakPolarHBondContact O-CB 3.39Å; R220-K223 PolarHBondContact O-N 2.75Å; R220-K223 VanDerWaalsContact O-N 3.16Å; E221-K223 PolarHBondContact O-N 2.76Å; K223-K226 PolarHBondContact O-N 2.96Å; K223-A227 WeakPolarHBondContact O-CB 3.4Å; K223-A227 PolarHBondContact O-N 2.75Å
224I90.6Very high82.6Confident6 Ų674.5 Ų74.53%0.03138%0.377CS..Hα-helixtrans-63.8-43.7176.4-69-65000110.5R220 E221 K226 A227 L228 V292 L295 D299R220-I224 WeakPolarHBondContact O-CG1 3.42Å; R220-I224 PolarHBondContact O-N 2.62Å; E221-I224 PolarHBondContact O-N 3.35Å; I224-K226 PolarHBondContact O-N 3.36Å; I224-A227 WeakPolarHBondContact O-CB 3.3Å; I224-A227 PolarHBondContact O-N 2.81Å; I224-L228 HydrophobicContact CG2-CD1 3.99Å; I224-L228 HydrophobicContact CG2-CG 4.42Å; I224-L228 WeakPolarHBondContact O-CG 3.48Å; I224-L228 PolarHBondContact O-N 3.03Å; I224-V292 HydrophobicContact CB-CG1 4.29Å; I224-V292 HydrophobicContact CG2-CG1 4.17Å; I224-L295 HydrophobicContact CG2-CB 3.79Å; I224-L295 HydrophobicContact CG2-CD1 3.9Å; I224-D299 HydrophobicContact CD1-CB 4.16Å
225Q90.4Very high84.3Confident52 Ų5270.4 Ų70.424%0.24336%0.359CS..Hα-helixtrans-58.4-49.1176.2-17961.526.800111.1E221 E222 A227 L228 E229 V292E221-Q225 VanDerWaalsContact O-CB 3.26Å; E221-Q225 WeakPolarHBondContact O-CB 3.26Å; E221-Q225 PolarHBondContact O-N 3.35Å; E222-Q225 PolarHBondContact O-N 2.95Å; Q225-A227 VanDerWaalsContact C-N 3.32Å; Q225-A227 PolarHBondContact O-N 3.04Å; Q225-L228 PolarHBondContact O-N 3.23Å; Q225-E229 PolarHBondContact NE2-OE1 3.04Å; Q225-E229 WeakPolarHBondContact O-CG 3.19Å; Q225-E229 PolarHBondContact O-N 2.93Å; Q225-V292 HydrophobicContact CB-CG1 4.4Å
226K90.5Very high85.4Confident108 Ų10877 Ų7747%0.4737%0.371SS..Hα-helixtrans-61-38.7175.3-72.5166.7-170.8155.70112E222 K223 I224 E229 N230E222-K226 WeakPolarHBondContact O-CB 3.32Å; E222-K226 VanDerWaalsContact O-CG 3.26Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 3.02Å; E222-K226 IonicContact OE2-NZ 2.88Å; E222-K226 PolarHBondContact OE2-NZ 2.74Å; K223-K226 PolarHBondContact O-N 2.96Å; I224-K226 PolarHBondContact O-N 3.36Å; K226-E229 PolarHBondContact O-N 3.31Å; K226-N230 WeakPolarHBondContact O-CB 3.46Å; K226-N230 PolarHBondContact O-N 3.21Å; K226-N230 VanDerWaalsContact O-N 3.1Å; K226-N230 PolarHBondContact O-ND2 3.24Å
227A91.4Very high85.5Confident34 Ų3477.2 Ų77.228%0.28138%0.379SS..Hα-helixtrans-64.7-43.4176.900000111.8K223 I224 Q225 N230 S231K223-A227 WeakPolarHBondContact O-CB 3.4Å; K223-A227 PolarHBondContact O-N 2.75Å; I224-A227 WeakPolarHBondContact O-CB 3.3Å; I224-A227 PolarHBondContact O-N 2.81Å; Q225-A227 VanDerWaalsContact C-N 3.32Å; Q225-A227 PolarHBondContact O-N 3.04Å; A227-N230 CarbonylContact O-C 3.53Å; A227-N230 PolarHBondContact O-N 3.24Å; A227-S231 PolarHBondContact O-N 2.99Å
228L90.8Very high84.3Confident0 Ų081.8 Ų81.80%041%0.407CS..Hα-helixtrans-66.7-38.3175.7-68.2170.6000111.9I224 Q225 N230 S231 L261 I263 V286 L295 L330 A333I224-L228 HydrophobicContact CG2-CD1 3.99Å; I224-L228 HydrophobicContact CG2-CG 4.42Å; I224-L228 WeakPolarHBondContact O-CG 3.48Å; I224-L228 PolarHBondContact O-N 3.03Å; Q225-L228 PolarHBondContact O-N 3.23Å; L228-N230 VanDerWaalsContact C-N 3.27Å; L228-N230 PolarHBondContact O-N 2.79Å; L228-S231 WeakPolarHBondContact O-CB 3.33Å; L228-S231 PolarHBondContact O-N 2.9Å; L228-L261 HydrophobicContact CB-CD2 3.52Å; L228-I263 HydrophobicContact CB-CD1 4.45Å; L228-I263 HydrophobicContact CD2-CG1 4.43Å; L228-I263 WeakPolarHBondContact O-CD1 3.36Å; L228-V286 HydrophobicContact CD1-CG1 4.4Å; L228-V286 HydrophobicContact CD1-CG2 4.45Å; L228-L295 HydrophobicContact CD1-CD1 3.99Å; L228-L330 HydrophobicContact CD2-CD2 4.4Å; L228-A333 HydrophobicContact CD2-CB 4.45Å
229E89.9Confident82.6Confident75 Ų7587.8 Ų87.835%0.3543%0.433SS..Hα-helixtrans-63.4-33.2176.3-77.3172.9-171.100113.3Q225 K226 R234 L261Q225-E229 PolarHBondContact NE2-OE1 3.04Å; Q225-E229 WeakPolarHBondContact O-CG 3.19Å; Q225-E229 PolarHBondContact O-N 2.93Å; K226-E229 PolarHBondContact O-N 3.31Å; E229-R234 WeakPolarHBondContact O-CD 3.43Å; E229-R234 PolarHBondContact O-NH1 3.14Å; E229-L261 HydrophobicContact CG-CD1 4.22Å; E229-L261 HydrophobicContact CG-CD2 4.01Å
230N90.4Very high80.4Confident136 Ų13690.5 Ų90.573%0.72744%0.436SS*.THydrogen-bonded Turntrans-92.2-1177-67.2-45.2000113.3K226 A227 L228K226-N230 WeakPolarHBondContact O-CB 3.46Å; K226-N230 PolarHBondContact O-N 3.21Å; K226-N230 VanDerWaalsContact O-N 3.1Å; K226-N230 PolarHBondContact O-ND2 3.24Å; A227-N230 CarbonylContact O-C 3.53Å; A227-N230 PolarHBondContact O-N 3.24Å; L228-N230 VanDerWaalsContact C-N 3.27Å; L228-N230 PolarHBondContact O-N 2.79Å
231S90Very high77.9Confident9 Ų990.3 Ų90.36%0.06346%0.455CS..  trans-63.2138.7-176.9-1750000111.5A227 L228 Y233 R234 A333A227-S231 PolarHBondContact O-N 2.99Å; L228-S231 WeakPolarHBondContact O-CB 3.33Å; L228-S231 PolarHBondContact O-N 2.9Å; S231-Y233 PolarHBondContact O-N 3.4Å; S231-Y233 VanDerWaalsContact O-N 3.11Å; S231-Y233 WeakPolarHBondContact OG-CD2 3.46Å; S231-Y233 PolarHBondContact OG-N 2.96Å; S231-R234 WeakPolarHBondContact O-CB 3.49Å; S231-R234 PolarHBondContact O-N 3.18Å; S231-R234 VanDerWaalsContact O-N 3.11Å; S231-A333 WeakPolarHBondContact CB-O 3.41Å; S231-A333 PolarHBondContact OG-O 2.82Å
232P88.1Confident75.5Confident101 Ų101101 Ų10166%0.65650%0.495SS*.THydrogen-bonded Turntrans-63.3-18.1175.927.8-35.6000112.6R234P232-R234 VanDerWaalsContact C-N 3.33Å
233Y89.1Confident73Confident28 Ų28106.8 Ų106.811%0.1151%0.511CS..THydrogen-bonded Turntrans-86-1.8-179.9-53.4-65.3000113.6S231 E235 N264 R267 V268 E271 A333S231-Y233 PolarHBondContact O-N 3.4Å; S231-Y233 VanDerWaalsContact O-N 3.11Å; S231-Y233 WeakPolarHBondContact OG-CD2 3.46Å; S231-Y233 PolarHBondContact OG-N 2.96Å; Y233-E235 PolarHBondContact O-N 2.82Å; Y233-N264 PolarHBondContact O-N 3.03Å; Y233-R267 HydrophobicContact CD1-CB 3.92Å; Y233-R267 HydrophobicContact CE1-CB 4.35Å; Y233-V268 HydrophobicContact CD1-CG2 3.73Å; Y233-V268 HydrophobicContact CD2-CG2 3.64Å; Y233-V268 HydrophobicContact CE1-CB 4.47Å; Y233-V268 HydrophobicContact CE1-CG2 4.09Å; Y233-V268 HydrophobicContact CE2-CG2 4.01Å; Y233-V268 HydrophobicContact CG-CG2 3.49Å; Y233-V268 VanDerWaalsContact CG-CG2 3.49Å; Y233-E271 VanDerWaalsContact CE1-OE2 3.26Å; Y233-E271 WeakPolarHBondContact CE1-OE2 3.45Å; Y233-E271 PolarHBondContact OH-OE2 3.07Å; Y233-A333 HydrophobicContact CD2-CB 3.81Å
234R87.9Confident70.6Confident113 Ų113106.8 Ų106.843%0.42652%0.523SS..BIsolated β-bridgetrans-65.5128.9178-179.6178.1177.1177.24.5111.4E229 S231 P232 R236 L261 R262 I263E229-R234 WeakPolarHBondContact O-CD 3.43Å; E229-R234 PolarHBondContact O-NH1 3.14Å; S231-R234 WeakPolarHBondContact O-CB 3.49Å; S231-R234 PolarHBondContact O-N 3.18Å; S231-R234 VanDerWaalsContact O-N 3.11Å; P232-R234 VanDerWaalsContact C-N 3.33Å; R234-R236 PolarHBondContact O-N 2.77Å; R234-L261 HydrophobicContact CG-CD1 3.81Å; R234-R262 WeakPolarHBondContact CA-O 3.03Å; R234-I263 HydrophobicContact CB-CD1 4.12Å
235E85.1Confident68Low70 Ų70111.7 Ų111.733%0.32756%0.558SS.*  trans-80.9110.8167.9-66.3-173.2168.400109Y233 G237 R262 N264 T283Y233-E235 PolarHBondContact O-N 2.82Å; E235-G237 PolarHBondContact O-N 3.18Å; E235-R262 HydrophobicContact CB-CB 4.2Å; E235-R262 PolarHBondContact N-O 3.45Å; E235-N264 HydrophobicContact CG-CB 3.97Å; E235-N264 PolarHBondContact OE1-ND2 2.94Å; E235-T283 HydrophobicContact CG-CG2 4.49Å; E235-T283 PolarHBondContact OE1-OG1 2.81Å; E235-T283 WeakPolarHBondContact OE2-CG2 3.15Å; E235-T283 PolarHBondContact OE2-OG1 2.68Å
236R76.4Confident65.5Low225 Ų225113.4 Ų113.485%0.84959%0.59SS**  trans-71.8123.3162.9-65.6-177.7-152-119.9-1106.5R234 T238R234-R236 PolarHBondContact O-N 2.77Å; R236-T238 PolarHBondContact O-N 3.35Å; R236-T238 VanDerWaalsContact O-N 3.12Å
237G59.1Low62.7Low63 Ų63112.1 Ų112.165%0.64961%0.607SS**  trans-47124.6174.700000109.1E235 E239E235-G237 PolarHBondContact O-N 3.18Å; G237-E239 VanDerWaalsContact C-N 3.32Å; G237-E239 PolarHBondContact O-N 2.74Å
238T42.3Very low60Low117 Ų117114.8 Ų114.872%0.71864%0.637SS**  trans-62.997.3172.735.20000108.4R236 R240R236-T238 PolarHBondContact O-N 3.35Å; R236-T238 VanDerWaalsContact O-N 3.12Å; T238-R240 HydrophobicContact CG2-CG 4.33Å; T238-R240 PolarHBondContact O-N 3.44Å
239E42.5Very low57.1Low202 Ų202118.3 Ų118.394%0.94467%0.674SS**  trans-65.769.5146.5-71.4-169.9167.500107.8G237G237-E239 VanDerWaalsContact C-N 3.32Å; G237-E239 PolarHBondContact O-N 2.74Å
240R38.2Very low54.8Low229 Ų229127.1 Ų127.186%0.86470%0.704SS**  trans-102.996.1168.4-89.5-170.4173.5-160.6-0.2108.6T238T238-R240 HydrophobicContact CG2-CG 4.33Å; T238-R240 PolarHBondContact O-N 3.44Å
241G35.9Very low52Low63 Ų63130.2 Ų130.265%0.64971%0.711SS**  trans114.262149.200000115.6R243G241-R243 PolarHBondContact O-N 3Å
242R38Very low49.2Very low246 Ų246133.8 Ų133.893%0.92874%0.741SS**  trans-66.177.2150.4-151.1179.2-163.91784.8107.8T244R242-T244 PolarHBondContact O-N 3.44Å
243R36.1Very low46.5Very low231 Ų231134.1 Ų134.187%0.87275%0.752SS**  trans-81.4102.2159.5-81.9-173.2173.7174.3-1.3106.3G241 S245G241-R243 PolarHBondContact O-N 3Å; R243-S245 PolarHBondContact O-N 3.02Å; R243-S245 VanDerWaalsContact O-N 3.1Å
244T40.2Very low43.9Very low134 Ų134140.8 Ų140.882%0.82278%0.784SS**  trans-53.1106.6159.940.40000109.7R242R242-T244 PolarHBondContact O-N 3.44Å
245S36.5Very low41.4Very low110 Ų110144.6 Ų144.677%0.76981%0.807SS**  trans-156.3125.9148.457.60000108.9R243R243-S245 PolarHBondContact O-N 3.02Å; R243-S245 VanDerWaalsContact O-N 3.1Å
246G36.3Very low39.1Very low88 Ų88150.8 Ų150.891%0.90784%0.836SS**  trans-63.8164.7-162.100000117.2
247G31.6Very low37.2Very low81 Ų81147.6 Ų147.684%0.83584%0.836SS**  trans158.8104.1169.400000110.7
248G35.7Very low36.5Very low89 Ų89152.7 Ų152.792%0.91884%0.843SS**  trans-64.1154.2-171.700000115.4
249G30.2Very low37Very low74 Ų74150.8 Ų150.876%0.76385%0.847SS**  trans173.790.3171.400000110.7K251G249-K251 PolarHBondContact O-N 3.15Å
250R41.4Very low38.3Very low260 Ų260142.2 Ų142.298%0.98181%0.812SS**  trans-61.5102.4162.3-87.9176.4171.4163-3.8107.8
251K31.4Very low40.4Very low201 Ų201132 Ų13287%0.87477%0.774SS**  trans-128.1136.1153.4-90.9-173.1174.1-177.40107.7G249 A253G249-K251 PolarHBondContact O-N 3.15Å; K251-A253 PolarHBondContact O-N 3.29Å
252A31.5Very low42.9Very low85 Ų85134 Ų13470%0.70276%0.763SS**  trans-41.7126.6-17000000113.3E254A252-E254 PolarHBondContact O-N 3.36Å; A252-E254 VanDerWaalsContact O-N 3.08Å
253A31.6Very low45.4Very low108 Ų108122.3 Ų122.389%0.89372%0.718SS**  trans-75.977.6161.400000108K251K251-A253 PolarHBondContact O-N 3.29Å
254E34.7Very low47.9Very low167 Ų167112.7 Ų112.778%0.7868%0.684SS**  trans-137.8100.5166.2-74.6-177.3165.900105.1A252A252-E254 PolarHBondContact O-N 3.36Å; A252-E254 VanDerWaalsContact O-N 3.08Å
255E34.5Very low50.3Low194 Ų194106.4 Ų106.491%0.90765%0.646SS**SBendtrans147.219.4165.4-82.6-179.8-174.900115.1
256E36.3Very low52.7Low199 Ų199106 Ų10693%0.9363%0.63SS**  trans-110.254.7170.3-76-168.9160.700113
257N37Very low55.2Low159 Ų159108 Ų10885%0.8561%0.61SS**  trans-14036169.1-128.95.4000114.5G259N257-G259 PolarHBondContact O-N 2.96Å
258E44.3Very low57.8Low170 Ų170104.1 Ų104.179%0.79457%0.57SS**  trans-89.960159.6-79.3-163.215600110.6G260E258-G260 PolarHBondContact O-N 3.14Å
259G52.9Low60Low77 Ų77102.3 Ų102.379%0.79454%0.537SS*.  trans-73.449.9-179.600000114.3N257N257-G259 PolarHBondContact O-N 2.96Å
260G69.8Low62.5Low21 Ų21104.4 Ų104.422%0.21653%0.527CS..  trans-71.1138.517600000112.5E258E258-G260 PolarHBondContact O-N 3.14Å
261L82.3Confident64.6Low14 Ų1497.6 Ų97.67%0.07351%0.506CS..EExtended strand (participates in β ladder)trans-62134.2175.8173.868.7000110.1L228 E229 R234 I263 K285 V286L228-L261 HydrophobicContact CB-CD2 3.52Å; E229-L261 HydrophobicContact CG-CD1 4.22Å; E229-L261 HydrophobicContact CG-CD2 4.01Å; R234-L261 HydrophobicContact CG-CD1 3.81Å; L261-I263 HydrophobicContact CD1-CD1 4.24Å; L261-I263 HydrophobicContact CD2-CD1 4.2Å; L261-I263 HydrophobicContact CG-CD1 4.07Å; L261-I263 HydrophobicContact CG-CG1 4.41Å; L261-K285 CarbonylContact O-C 3.57Å; L261-K285 WeakPolarHBondContact O-CA 3.42Å; L261-V286 HydrophobicContact CB-CB 4.16Å; L261-V286 HydrophobicContact CD2-CB 4.4Å; L261-V286 HydrophobicContact CG-CB 4.47Å; L261-V286 PolarHBondContact N-O 3.23Å; L261-V286 PolarHBondContact O-N 3.43Å
262R87.9Confident67Low107 Ų10790.8 Ų90.840%0.40448%0.478SS..EExtended strand (participates in β ladder)trans-117.1122.2-177.9-61.4-173-170.51593.7110.6R234 E235 T283 K285R234-R262 WeakPolarHBondContact CA-O 3.03Å; E235-R262 HydrophobicContact CB-CB 4.2Å; E235-R262 PolarHBondContact N-O 3.45Å; R262-T283 HydrophobicContact CB-CG2 3.83Å; R262-K285 HydrophobicContact CG-CG 4.22Å
263I90.3Very high69.3Low0 Ų089.2 Ų89.20%047%0.47CS..EExtended strand (participates in β ladder)trans-115.3128.5179.3-54.4-60.7000109.2L228 R234 L261 L265 T283 C284 V286 L330 A333L228-I263 HydrophobicContact CB-CD1 4.45Å; L228-I263 HydrophobicContact CD2-CG1 4.43Å; L228-I263 WeakPolarHBondContact O-CD1 3.36Å; R234-I263 HydrophobicContact CB-CD1 4.12Å; L261-I263 HydrophobicContact CD1-CD1 4.24Å; L261-I263 HydrophobicContact CD2-CD1 4.2Å; L261-I263 HydrophobicContact CG-CD1 4.07Å; L261-I263 HydrophobicContact CG-CG1 4.41Å; I263-L265 HydrophobicContact CB-CD2 4.46Å; I263-L265 HydrophobicContact CG2-CD2 4.03Å; I263-L265 PolarHBondContact O-N 3.34Å; I263-T283 WeakPolarHBondContact O-CA 3.4Å; I263-C284 PolarHBondContact N-O 2.9Å; I263-C284 PolarHBondContact O-N 3.2Å; I263-V286 HydrophobicContact CG1-CG2 4.04Å; I263-L330 HydrophobicContact CB-CD2 3.81Å; I263-L330 HydrophobicContact CG1-CD2 3.89Å; I263-L330 HydrophobicContact CG2-CD2 4.09Å; I263-A333 HydrophobicContact CG2-CB 3.98Å
264N90.3Very high71.7Confident29 Ų2985.5 Ų85.516%0.15544%0.435CS..EExtended strand (participates in β ladder)trans-83.491.3177.8-168-48.8000110.3Y233 E235 K266 R267Y233-N264 PolarHBondContact O-N 3.03Å; E235-N264 HydrophobicContact CG-CB 3.97Å; E235-N264 PolarHBondContact OE1-ND2 2.94Å; N264-K266 PolarHBondContact O-N 3.47Å; N264-K266 WeakPolarHBondContact OD1-CA 3.45Å; N264-K266 WeakPolarHBondContact OD1-CB 3.18Å; N264-K266 PolarHBondContact OD1-N 2.81Å; N264-K266 VanDerWaalsContact OD1-N 3.12Å; N264-R267 HydrophobicContact CB-CG 4.35Å; N264-R267 PolarHBondContact O-N 2.85Å; N264-R267 WeakPolarHBondContact OD1-CG 3.3Å; N264-R267 PolarHBondContact OD1-N 3.37Å
265L89.8Confident73.9Confident2 Ų284 Ų841%0.0143%0.431CS..Hα-helixtrans-64.7-24.6178.9-52.7-174.1000111.9I263 R267 V268 F269 G282 C284 Q326 V329 L330I263-L265 HydrophobicContact CB-CD2 4.46Å; I263-L265 HydrophobicContact CG2-CD2 4.03Å; I263-L265 PolarHBondContact O-N 3.34Å; L265-R267 VanDerWaalsContact C-N 3.31Å; L265-R267 PolarHBondContact O-N 3.26Å; L265-V268 WeakPolarHBondContact O-CB 3.26Å; L265-V268 PolarHBondContact O-N 2.95Å; L265-F269 WeakPolarHBondContact O-CD1 3.46Å; L265-F269 PolarHBondContact O-N 3.41Å; L265-G282 VanDerWaalsContact CB-O 3.31Å; L265-G282 WeakPolarHBondContact CB-O 3.33Å; L265-G282 PolarHBondContact N-O 2.89Å; L265-G282 VanDerWaalsContact N-O 3.15Å; L265-C284 HydrophobicContact CD1-CB 3.61Å; L265-C284 HydrophobicContact CD2-CB 4.18Å; L265-C284 HydrophobicContact CG-CB 3.81Å; L265-Q326 HydrophobicContact CD1-CB 4.03Å; L265-Q326 HydrophobicContact CD1-CG 3.97Å; L265-V329 HydrophobicContact CB-CB 4.49Å; L265-V329 HydrophobicContact CB-CG1 3.86Å; L265-V329 HydrophobicContact CD1-CB 4.46Å; L265-V329 HydrophobicContact CD2-CB 4.2Å; L265-V329 HydrophobicContact CD2-CG1 3.86Å; L265-V329 HydrophobicContact CG-CG1 4.32Å; L265-L330 HydrophobicContact CD2-CD2 3.78Å; L265-L330 HydrophobicContact CD2-CG 3.88Å
266K87.3Confident76.3Confident102 Ų10277.1 Ų77.144%0.44341%0.413SS..Hα-helixtrans-61.5-41.6178.5-160.6-172.9-176.61690111.8N264 F269 Q270N264-K266 PolarHBondContact O-N 3.47Å; N264-K266 WeakPolarHBondContact OD1-CA 3.45Å; N264-K266 WeakPolarHBondContact OD1-CB 3.18Å; N264-K266 PolarHBondContact OD1-N 2.81Å; N264-K266 VanDerWaalsContact OD1-N 3.12Å; K266-F269 VanDerWaalsContact CA-CD1 3.44Å; K266-F269 HydrophobicContact CB-CD1 4.44Å; K266-F269 HydrophobicContact CB-CE1 3.79Å; K266-F269 HydrophobicContact CB-CZ 4.39Å; K266-F269 HydrophobicContact CD-CZ 4.42Å; K266-F269 HydrophobicContact CG-CD1 4.24Å; K266-F269 HydrophobicContact CG-CE1 3.21Å; K266-F269 HydrophobicContact CG-CZ 3.39Å; K266-F269 WeakPolarHBondContact O-CD1 3.4Å; K266-F269 WeakPolarHBondContact O-CE1 3.47Å; K266-F269 WeakPolarHBondContact O-CG 3.18Å; K266-F269 WeakPolarHBondContact O-CZ 3.41Å; K266-Q270 WeakPolarHBondContact O-CG 3.25Å; K266-Q270 PolarHBondContact O-N 2.87Å
267R87.9Confident78.7Confident128 Ų12869.3 Ų69.348%0.48338%0.375SS..Hα-helixtrans-69.4-36.9178.2-67.6-178.9100.8-175.36.1111.9Y233 N264 L265 F269 Q270 E271Y233-R267 HydrophobicContact CD1-CB 3.92Å; Y233-R267 HydrophobicContact CE1-CB 4.35Å; N264-R267 HydrophobicContact CB-CG 4.35Å; N264-R267 PolarHBondContact O-N 2.85Å; N264-R267 WeakPolarHBondContact OD1-CG 3.3Å; N264-R267 PolarHBondContact OD1-N 3.37Å; L265-R267 VanDerWaalsContact C-N 3.31Å; L265-R267 PolarHBondContact O-N 3.26Å; R267-F269 PolarHBondContact O-N 3.05Å; R267-Q270 PolarHBondContact O-N 3.31Å; R267-E271 WeakPolarHBondContact O-CB 3.28Å; R267-E271 WeakPolarHBondContact O-CG 3.49Å; R267-E271 PolarHBondContact O-N 2.85Å
268V85.9Confident81Confident0 Ų064.4 Ų64.40%035%0.348CS..Hα-helixtrans-56.8-49.8178.2-173.80000110.9Y233 L265 Q270 E271 E272 L274 V329 R332 A333Y233-V268 HydrophobicContact CD1-CG2 3.73Å; Y233-V268 HydrophobicContact CD2-CG2 3.64Å; Y233-V268 HydrophobicContact CE1-CB 4.47Å; Y233-V268 HydrophobicContact CE1-CG2 4.09Å; Y233-V268 HydrophobicContact CE2-CG2 4.01Å; Y233-V268 HydrophobicContact CG-CG2 3.49Å; Y233-V268 VanDerWaalsContact CG-CG2 3.49Å; L265-V268 WeakPolarHBondContact O-CB 3.26Å; L265-V268 PolarHBondContact O-N 2.95Å; V268-Q270 VanDerWaalsContact C-N 3.34Å; V268-Q270 PolarHBondContact O-N 2.66Å; V268-E271 PolarHBondContact O-N 3.41Å; V268-E272 HydrophobicContact CG1-CG 4.47Å; V268-E272 WeakPolarHBondContact O-CB 3.44Å; V268-E272 PolarHBondContact O-N 3.02Å; V268-L274 HydrophobicContact CG1-CD1 4.42Å; V268-V329 HydrophobicContact CB-CG1 3.62Å; V268-V329 HydrophobicContact CG1-CG1 3.67Å; V268-V329 HydrophobicContact CG2-CG1 4.03Å; V268-R332 HydrophobicContact CG1-CB 4.09Å; V268-A333 HydrophobicContact CG2-CB 4.01Å
269F82.3Confident82.9Confident52 Ų5261.4 Ų61.423%0.22834%0.344CS..Hα-helixtrans-67.5-34.4-178.875.1-111.3000113.2L265 K266 R267 G273 L274L265-F269 WeakPolarHBondContact O-CD1 3.46Å; L265-F269 PolarHBondContact O-N 3.41Å; K266-F269 VanDerWaalsContact CA-CD1 3.44Å; K266-F269 HydrophobicContact CB-CD1 4.44Å; K266-F269 HydrophobicContact CB-CE1 3.79Å; K266-F269 HydrophobicContact CB-CZ 4.39Å; K266-F269 HydrophobicContact CD-CZ 4.42Å; K266-F269 HydrophobicContact CG-CD1 4.24Å; K266-F269 HydrophobicContact CG-CE1 3.21Å; K266-F269 HydrophobicContact CG-CZ 3.39Å; K266-F269 WeakPolarHBondContact O-CD1 3.4Å; K266-F269 WeakPolarHBondContact O-CE1 3.47Å; K266-F269 WeakPolarHBondContact O-CG 3.18Å; K266-F269 WeakPolarHBondContact O-CZ 3.41Å; R267-F269 PolarHBondContact O-N 3.05Å; F269-G273 WeakPolarHBondContact O-CA 3.39Å; F269-G273 PolarHBondContact O-N 3.27Å; F269-L274 HydrophobicContact CB-CB 4.09Å; F269-L274 PolarHBondContact O-N 3.02Å; F269-L274 VanDerWaalsContact O-N 3.14Å
270Q84Confident84.6Confident117 Ų11762.4 Ų62.455%0.54734%0.335SS..Hα-helixtrans-69.1-40.2-178.7-70.6178.9-14.200111K266 R267 V268K266-Q270 WeakPolarHBondContact O-CG 3.25Å; K266-Q270 PolarHBondContact O-N 2.87Å; R267-Q270 PolarHBondContact O-N 3.31Å; V268-Q270 VanDerWaalsContact C-N 3.34Å; V268-Q270 PolarHBondContact O-N 2.66Å
271E85.6Confident85.3Confident117 Ų11761.6 Ų61.655%0.54733%0.325SS..Hα-helixtrans-83.1-37.3-176.7-67177.3-162.100112.1Y233 R267 V268Y233-E271 VanDerWaalsContact CE1-OE2 3.26Å; Y233-E271 WeakPolarHBondContact CE1-OE2 3.45Å; Y233-E271 PolarHBondContact OH-OE2 3.07Å; R267-E271 WeakPolarHBondContact O-CB 3.28Å; R267-E271 WeakPolarHBondContact O-CG 3.49Å; R267-E271 PolarHBondContact O-N 2.85Å; V268-E271 PolarHBondContact O-N 3.41Å
272E81.6Confident85.4Confident58 Ų5862.4 Ų62.427%0.27134%0.337SS..Hα-helixtrans-87.1-5.6176.7-66.6-162.7-169.600114.1V268 L274 R332V268-E272 HydrophobicContact CG1-CG 4.47Å; V268-E272 WeakPolarHBondContact O-CB 3.44Å; V268-E272 PolarHBondContact O-N 3.02Å; E272-L274 HydrophobicContact CB-CD2 4.2Å; E272-L274 HydrophobicContact CB-CG 3.98Å; E272-L274 PolarHBondContact O-N 3.42Å; E272-R332 IonicContact OE2-CZ 3.75Å; E272-R332 IonicContact OE2-NH1 3.12Å; E272-R332 PolarHBondContact OE2-NH1 2.92Å; E272-R332 VanDerWaalsContact OE2-NH1 3.1Å
273G79.8Confident85.2Confident52 Ų5260.1 Ų60.154%0.53634%0.335SS..THydrogen-bonded Turntrans66.632.9178.900000114.1F269 L275F269-G273 WeakPolarHBondContact O-CA 3.39Å; F269-G273 PolarHBondContact O-N 3.27Å; G273-L275 PolarHBondContact O-N 3.39Å
274L81.7Confident84.8Confident31 Ų3160.6 Ų60.616%0.16234%0.339CS..  trans-71.3124.9-177.3-57.5177.3000111.3V268 F269 E272 Y277 V329V268-L274 HydrophobicContact CG1-CD1 4.42Å; F269-L274 HydrophobicContact CB-CB 4.09Å; F269-L274 PolarHBondContact O-N 3.02Å; F269-L274 VanDerWaalsContact O-N 3.14Å; E272-L274 HydrophobicContact CB-CD2 4.2Å; E272-L274 HydrophobicContact CB-CG 3.98Å; E272-L274 PolarHBondContact O-N 3.42Å; L274-Y277 HydrophobicContact CB-CD2 3.81Å; L274-Y277 HydrophobicContact CB-CE2 3.86Å; L274-Y277 HydrophobicContact CD1-CE2 4.29Å; L274-Y277 HydrophobicContact CG-CE2 4.49Å; L274-V329 HydrophobicContact CD1-CG2 4.49Å
275L81.5Confident84.2Confident135 Ų13564.6 Ų64.671%0.70736%0.355SS*.  trans-106.6143.2-177.4-63.8176.6000112.6G273 G502 A503G273-L275 PolarHBondContact O-N 3.39Å; L275-G502 WeakPolarHBondContact O-CA 3.27Å; L275-A503 PolarHBondContact O-N 3.18Å
276G83Confident83.3Confident50 Ų5064.9 Ų64.952%0.51536%0.356SS..SBendtrans848.4172.600000116.1
277Y86.8Confident81.9Confident35 Ų3563.6 Ų63.614%0.13736%0.357CS..SBendtrans-80.5158.2168.6-72.3-91.7000111.4L274 L281 Q325 A328 V329 H343 A503L274-Y277 HydrophobicContact CB-CD2 3.81Å; L274-Y277 HydrophobicContact CB-CE2 3.86Å; L274-Y277 HydrophobicContact CD1-CE2 4.29Å; L274-Y277 HydrophobicContact CG-CE2 4.49Å; Y277-L281 HydrophobicContact CD1-CD1 4.23Å; Y277-Q325 HydrophobicContact CD1-CB 4.07Å; Y277-Q325 HydrophobicContact CD1-CG 4.1Å; Y277-Q325 HydrophobicContact CE1-CB 4.45Å; Y277-Q325 HydrophobicContact CE1-CG 4.46Å; Y277-A328 HydrophobicContact CE1-CB 4.21Å; Y277-V329 HydrophobicContact CD1-CG2 3.92Å; Y277-V329 HydrophobicContact CE1-CG2 3.88Å; Y277-H343 AromaticContact CE1-NE2 3.78Å; Y277-A503 HydrophobicContact CD1-CB 4.41Å; Y277-A503 HydrophobicContact CD2-CB 3.88Å; Y277-A503 HydrophobicContact CE1-CB 4.23Å; Y277-A503 HydrophobicContact CE2-CB 3.67Å; Y277-A503 HydrophobicContact CG-CB 4.24Å
278D86.7Confident80.7Confident55 Ų5563 Ų6329%0.29436%0.359SS..  trans-66.1124.8178.2-168.6-55.1000110.7T280 L281D278-T280 PolarHBondContact O-N 2.92Å; D278-T280 VanDerWaalsContact O-N 3.15Å; D278-T280 WeakPolarHBondContact OD1-CA 3.48Å; D278-T280 VanDerWaalsContact OD1-CB 3.26Å; D278-T280 WeakPolarHBondContact OD1-CB 3.24Å; D278-T280 WeakPolarHBondContact OD1-CG2 3.41Å; D278-T280 PolarHBondContact OD1-N 2.9Å; D278-T280 PolarHBondContact OD1-OG1 3.32Å; D278-L281 HydrophobicContact CB-CD1 4.42Å; D278-L281 HydrophobicContact CB-CG 4.24Å; D278-L281 WeakPolarHBondContact O-CB 3.36Å; D278-L281 WeakPolarHBondContact O-CD1 3.12Å; D278-L281 VanDerWaalsContact O-CG 3.28Å; D278-L281 WeakPolarHBondContact O-CG 2.83Å; D278-L281 PolarHBondContact O-N 3.34Å; D278-L281 VanDerWaalsContact O-N 3.17Å
279P84.4Confident80.2Confident108 Ų10870.7 Ų70.770%0.70139%0.388SS*.THydrogen-bonded Turntrans-68.4-13-176.629.3-36.5000113.6L281P279-L281 VanDerWaalsContact C-N 3.3Å
280T87.3Confident80.1Confident98 Ų9869.4 Ų69.460%0.60138%0.384SS*.THydrogen-bonded Turntrans-83.4-3.7177.170.50000113.1D278 G282 F322D278-T280 PolarHBondContact O-N 2.92Å; D278-T280 VanDerWaalsContact O-N 3.15Å; D278-T280 WeakPolarHBondContact OD1-CA 3.48Å; D278-T280 VanDerWaalsContact OD1-CB 3.26Å; D278-T280 WeakPolarHBondContact OD1-CB 3.24Å; D278-T280 WeakPolarHBondContact OD1-CG2 3.41Å; D278-T280 PolarHBondContact OD1-N 2.9Å; D278-T280 PolarHBondContact OD1-OG1 3.32Å; T280-G282 PolarHBondContact O-N 3.49Å; T280-F322 WeakPolarHBondContact OG1-CE2 3.36Å
281L84.6Confident80.3Confident3 Ų364.6 Ų64.62%0.01636%0.363CS..  trans-6296.2170.5-67.9170000110.3Y277 D278 P279 F322 Q325 Q326Y277-L281 HydrophobicContact CD1-CD1 4.23Å; D278-L281 HydrophobicContact CB-CD1 4.42Å; D278-L281 HydrophobicContact CB-CG 4.24Å; D278-L281 WeakPolarHBondContact O-CB 3.36Å; D278-L281 WeakPolarHBondContact O-CD1 3.12Å; D278-L281 VanDerWaalsContact O-CG 3.28Å; D278-L281 WeakPolarHBondContact O-CG 2.83Å; D278-L281 PolarHBondContact O-N 3.34Å; D278-L281 VanDerWaalsContact O-N 3.17Å; P279-L281 VanDerWaalsContact C-N 3.3Å; L281-F322 HydrophobicContact CD2-CD2 4.13Å; L281-F322 HydrophobicContact CD2-CE2 3.68Å; L281-F322 HydrophobicContact CD2-CZ 3.9Å; L281-F322 HydrophobicContact CG-CE2 4.26Å; L281-Q325 HydrophobicContact CD1-CB 3.96Å; L281-Q325 HydrophobicContact CD2-CB 4.41Å; L281-Q326 HydrophobicContact CD2-CG 3.47Å; L281-Q326 VanDerWaalsContact CD2-CG 3.47Å
282G84.2Confident80.4Confident31 Ų3159.5 Ų59.532%0.3234%0.34SS..  trans-96.8-130.1178.200000112.4L265 T280L265-G282 VanDerWaalsContact CB-O 3.31Å; L265-G282 WeakPolarHBondContact CB-O 3.33Å; L265-G282 PolarHBondContact N-O 2.89Å; L265-G282 VanDerWaalsContact N-O 3.15Å; T280-G282 PolarHBondContact O-N 3.49Å
283T84Confident80.7Confident60 Ų6057.3 Ų57.337%0.36833%0.331SS..EExtended strand (participates in β ladder)trans-81.2122.9175.9-52.50000109.9E235 R262 I263E235-T283 HydrophobicContact CG-CG2 4.49Å; E235-T283 PolarHBondContact OE1-OG1 2.81Å; E235-T283 WeakPolarHBondContact OE2-CG2 3.15Å; E235-T283 PolarHBondContact OE2-OG1 2.68Å; R262-T283 HydrophobicContact CB-CG2 3.83Å; I263-T283 WeakPolarHBondContact O-CA 3.4Å
284C82.7Confident81.3Confident10 Ų1055 Ų557%0.06831%0.306CS..EExtended strand (participates in β ladder)trans-93.2126.6171.3-169.90000109.3I263 L265 L330I263-C284 PolarHBondContact N-O 2.9Å; I263-C284 PolarHBondContact O-N 3.2Å; L265-C284 HydrophobicContact CD1-CB 3.61Å; L265-C284 HydrophobicContact CD2-CB 4.18Å; L265-C284 HydrophobicContact CG-CB 3.81Å; C284-L330 HydrophobicContact CB-CD2 4.39Å
285K77.8Confident81.7Confident113 Ų11353.5 Ų53.549%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-85.3112.5169.2-57.2-175.8178.1177.90107.8L261 R262 V287L261-K285 CarbonylContact O-C 3.57Å; L261-K285 WeakPolarHBondContact O-CA 3.42Å; R262-K285 HydrophobicContact CG-CG 4.22Å; K285-V287 HydrophobicContact CB-CG2 3.39Å; K285-V287 HydrophobicContact CD-CG2 4.25Å; K285-V287 HydrophobicContact CG-CG2 4.47Å; K285-V287 PolarHBondContact O-N 2.94Å
286V70.4Confident82.2Confident7 Ų747.1 Ų47.14%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-77.782.8168.1-173.30000106.7L228 L261 I263 V292 L330L228-V286 HydrophobicContact CD1-CG1 4.4Å; L228-V286 HydrophobicContact CD1-CG2 4.45Å; L261-V286 HydrophobicContact CB-CB 4.16Å; L261-V286 HydrophobicContact CD2-CB 4.4Å; L261-V286 HydrophobicContact CG-CB 4.47Å; L261-V286 PolarHBondContact N-O 3.23Å; L261-V286 PolarHBondContact O-N 3.43Å; I263-V286 HydrophobicContact CG1-CG2 4.04Å; V286-V292 HydrophobicContact CG1-CG2 3.92Å; V286-L330 HydrophobicContact CG2-CD1 4.26Å; V286-L330 HydrophobicContact CG2-CD2 3.75Å
287V57.5Low82.6Confident76 Ų7645.9 Ų45.946%0.46125%0.246SC..  trans-102.3-24.4-178.8-171.20000111.7K285K285-V287 HydrophobicContact CB-CG2 3.39Å; K285-V287 HydrophobicContact CD-CG2 4.25Å; K285-V287 HydrophobicContact CG-CG2 4.47Å; K285-V287 PolarHBondContact O-N 2.94Å
288H63Low82.8Confident114 Ų11444.2 Ų44.253%0.52824%0.239SC..  trans-113130.9-167.7-61.9-71.1000112.1D290 S291H288-D290 HydrophobicContact CB-CB 4.45Å; H288-D290 PolarHBondContact O-N 3.42Å; H288-D290 VanDerWaalsContact O-N 3.1Å; H288-S291 PolarHBondContact O-N 3.05Å
289R75.1Confident82.9Confident162 Ų16243.3 Ų43.361%0.61123%0.234SC*.Hα-helixtrans-47.9-36.5171-172.2-177.1177.9-161.65.7111.4D218 E221 S291 V292 S293D218-R289 IonicContact OD1-NH2 3.87Å; D218-R289 PolarHBondContact OD1-NH2 3.06Å; E221-R289 IonicContact OE2-CZ 3.1Å; E221-R289 IonicContact OE2-NE 2.75Å; E221-R289 PolarHBondContact OE2-NE 2.57Å; E221-R289 VanDerWaalsContact OE2-NE 3.12Å; E221-R289 IonicContact OE2-NH2 3.93Å; R289-S291 VanDerWaalsContact C-N 3.27Å; R289-S291 PolarHBondContact O-N 3.31Å; R289-V292 PolarHBondContact O-N 2.85Å; R289-V292 VanDerWaalsContact O-N 3.1Å; R289-S293 WeakPolarHBondContact O-CB 3.39Å; R289-S293 PolarHBondContact O-N 2.85Å
290D81.3Confident83.2Confident26 Ų2640.7 Ų40.714%0.13921%0.214CC..Hα-helixtrans-53.9-37.8178.3-47.6-5000114.2P152 H288 H294P152-D290 WeakPolarHBondContact CD-OD2 3.32Å; H288-D290 HydrophobicContact CB-CB 4.45Å; H288-D290 PolarHBondContact O-N 3.42Å; H288-D290 VanDerWaalsContact O-N 3.1Å; D290-H294 WeakPolarHBondContact O-CB 3.47Å; D290-H294 PolarHBondContact O-N 3.46Å
291S86.9Confident83.2Confident16 Ų1637 Ų3711%0.11219%0.192CC..Hα-helixtrans-72.3-41.2-179.8-58.80000110.6H288 R289 H294 L295H288-S291 PolarHBondContact O-N 3.05Å; R289-S291 VanDerWaalsContact C-N 3.27Å; R289-S291 PolarHBondContact O-N 3.31Å; S291-H294 PolarHBondContact O-N 2.82Å; S291-L295 WeakPolarHBondContact O-CG 3.26Å; S291-L295 PolarHBondContact O-N 3.06Å
292V88.5Confident83.3Confident9 Ų937.8 Ų37.86%0.05520%0.197CC..Hα-helixtrans-67-40.6176.4-179.20000110.6E221 I224 Q225 V286 R289 L295 A296E221-V292 HydrophobicContact CB-CG1 3.83Å; E221-V292 HydrophobicContact CG-CG1 4.19Å; E221-V292 WeakPolarHBondContact O-CG1 3.39Å; I224-V292 HydrophobicContact CB-CG1 4.29Å; I224-V292 HydrophobicContact CG2-CG1 4.17Å; Q225-V292 HydrophobicContact CB-CG1 4.4Å; V286-V292 HydrophobicContact CG1-CG2 3.92Å; R289-V292 PolarHBondContact O-N 2.85Å; R289-V292 VanDerWaalsContact O-N 3.1Å; V292-L295 PolarHBondContact O-N 2.94Å; V292-A296 WeakPolarHBondContact O-CB 3.31Å; V292-A296 PolarHBondContact O-N 3.46Å
293S88.3Confident83.3Confident13 Ų1338.1 Ų38.19%0.09120%0.197CC..Hα-helixtrans-63-42.5176.3-159.40000111.9E221 R289 A296 Q297E221-S293 WeakPolarHBondContact OE1-CA 3.37Å; E221-S293 WeakPolarHBondContact OE1-CB 3.42Å; E221-S293 PolarHBondContact OE1-OG 3.29Å; R289-S293 WeakPolarHBondContact O-CB 3.39Å; R289-S293 PolarHBondContact O-N 2.85Å; S293-A296 PolarHBondContact O-N 3.38Å; S293-Q297 WeakPolarHBondContact O-CG 3.45Å; S293-Q297 PolarHBondContact O-N 3.07Å
294H90.8Very high82.9Confident3 Ų342.1 Ų42.11%0.01422%0.216CC..Hα-helixtrans-58.9-49.7173.2-169.8160.8000110.6N144 H149 D290 S291 A296 Q297 L298 Q324N144-H294 PolarHBondContact ND2-NE2 3.37Å; N144-H294 PolarHBondContact OD1-NE2 3.25Å; H149-H294 AromaticContact CD2-CD2 3.84Å; H149-H294 AromaticContact CD2-CE1 3.77Å; H149-H294 AromaticContact CD2-NE2 3.51Å; H149-H294 AromaticContact CE1-CD2 3.09Å; H149-H294 PolarHBondContact CE1-CD2 3.25Å; H149-H294 AromaticContact CE1-CG 3.8Å; H149-H294 AromaticContact CE1-NE2 3.45Å; H149-H294 PolarHBondContact CE1-NE2 2.89Å; H149-H294 AromaticContact CG-CD2 3.8Å; H149-H294 AromaticContact CG-CE1 3.99Å; H149-H294 AromaticContact CG-CG 3.86Å; H149-H294 AromaticContact CG-NE2 3.88Å; H149-H294 AromaticContact ND1-CD2 3.37Å; H149-H294 PolarHBondContact ND1-CD2 3.14Å; H149-H294 AromaticContact ND1-CG 3.57Å; H149-H294 AromaticContact ND1-NE2 3.87Å; H149-H294 AromaticContact NE2-CD2 3.39Å; H149-H294 PolarHBondContact NE2-CD2 2.92Å; H149-H294 AromaticContact NE2-CE1 3.94Å; H149-H294 AromaticContact NE2-NE2 3.2Å; H149-H294 PolarHBondContact NE2-NE2 2.5Å; H149-H294 VanDerWaalsContact NE2-NE2 3.2Å; D290-H294 WeakPolarHBondContact O-CB 3.47Å; D290-H294 PolarHBondContact O-N 3.46Å; S291-H294 PolarHBondContact O-N 2.82Å; H294-A296 VanDerWaalsContact C-N 3.32Å; H294-A296 PolarHBondContact O-N 3.13Å; H294-Q297 PolarHBondContact O-N 3.2Å; H294-L298 PolarHBondContact O-N 3.28Å; H294-Q324 PolarHBondContact CE1-OE1 3.41Å
295L91.8Very high82.7Confident0 Ų043.2 Ų43.20%022%0.221CC..Hα-helixtrans-61.6-38.7177.9-67.3174.6000112.6I224 L228 S291 V292 L298 D299 I327 L330 W331I224-L295 HydrophobicContact CG2-CB 3.79Å; I224-L295 HydrophobicContact CG2-CD1 3.9Å; L228-L295 HydrophobicContact CD1-CD1 3.99Å; S291-L295 WeakPolarHBondContact O-CG 3.26Å; S291-L295 PolarHBondContact O-N 3.06Å; V292-L295 PolarHBondContact O-N 2.94Å; L295-L298 PolarHBondContact O-N 2.99Å; L295-D299 WeakPolarHBondContact O-CB 3.35Å; L295-D299 PolarHBondContact O-N 3.4Å; L295-I327 HydrophobicContact CD2-CG2 3.88Å; L295-I327 WeakPolarHBondContact CD2-O 3.46Å; L295-L330 HydrophobicContact CD1-CB 4.11Å; L295-L330 HydrophobicContact CD2-CB 4.47Å; L295-W331 HydrophobicContact CD2-CB 3.37Å; L295-W331 HydrophobicContact CD2-CG 3.77Å
296A90.7Very high81.9Confident0 Ų043.7 Ų43.70%023%0.234CC..Hα-helixtrans-65.9-39.7177.100000112.3N217 R220 E221 V292 S293 H294 D299 L300N217-A296 HydrophobicContact CB-CB 4.37Å; R220-A296 HydrophobicContact CB-CB 4.04Å; E221-A296 HydrophobicContact CG-CB 3.73Å; V292-A296 WeakPolarHBondContact O-CB 3.31Å; V292-A296 PolarHBondContact O-N 3.46Å; S293-A296 PolarHBondContact O-N 3.38Å; H294-A296 VanDerWaalsContact C-N 3.32Å; H294-A296 PolarHBondContact O-N 3.13Å; A296-D299 PolarHBondContact O-N 3.34Å; A296-L300 VanDerWaalsContact O-CB 3.29Å; A296-L300 WeakPolarHBondContact O-CB 3.37Å; A296-L300 PolarHBondContact O-N 3.35Å
297Q90.8Very high81.4Confident25 Ų2552.2 Ų52.212%0.11727%0.273CS..Hα-helixtrans-64.3-39.8173-76.9-78.9-2300112P189 N217 S293 H294 S301P189-Q297 HydrophobicContact CB-CB 4.37Å; P189-Q297 HydrophobicContact CB-CG 4.09Å; N217-Q297 WeakPolarHBondContact ND2-CG 3.4Å; N217-Q297 PolarHBondContact ND2-NE2 2.82Å; S293-Q297 WeakPolarHBondContact O-CG 3.45Å; S293-Q297 PolarHBondContact O-N 3.07Å; H294-Q297 PolarHBondContact O-N 3.2Å; Q297-S301 WeakPolarHBondContact O-CB 3.39Å; Q297-S301 PolarHBondContact O-N 3.33Å; Q297-S301 PolarHBondContact O-OG 2.67Å
298L91.6Very high81.9Confident0 Ų052.5 Ų52.50%028%0.275CS..Hα-helixtrans-64.7-47.6174.7-74.9169.7000111.3N144 H294 L295 L300 S301 T302 V312 I327 W331N144-L298 HydrophobicContact CB-CD2 3.92Å; H294-L298 PolarHBondContact O-N 3.28Å; L295-L298 PolarHBondContact O-N 2.99Å; L298-L300 PolarHBondContact O-N 3.25Å; L298-S301 PolarHBondContact O-N 3.34Å; L298-T302 PolarHBondContact O-N 3.26Å; L298-T302 VanDerWaalsContact O-N 3.17Å; L298-T302 PolarHBondContact O-OG1 2.95Å; L298-T302 VanDerWaalsContact O-OG1 3.12Å; L298-V312 HydrophobicContact CD2-CG1 4.27Å; L298-I327 HydrophobicContact CD1-CG2 4.07Å; L298-W331 HydrophobicContact CB-CD2 4.12Å; L298-W331 HydrophobicContact CB-CE3 4.37Å; L298-W331 HydrophobicContact CB-CH2 3.99Å; L298-W331 HydrophobicContact CB-CZ2 3.72Å; L298-W331 HydrophobicContact CB-CZ3 4.31Å; L298-W331 HydrophobicContact CD1-CD2 4.29Å; L298-W331 HydrophobicContact CD1-CE3 4.16Å; L298-W331 HydrophobicContact CD2-CZ3 4.45Å
299D90Very high82.6Confident35 Ų3553 Ų5319%0.18728%0.279CS..Hα-helixtrans-58.8-45.7176.6-175.578.5000111.6R220 I224 L295 A296 S301 T302 A303R220-D299 IonicContact NH1-OD2 2.85Å; R220-D299 PolarHBondContact NH1-OD2 2.89Å; I224-D299 HydrophobicContact CD1-CB 4.16Å; L295-D299 WeakPolarHBondContact O-CB 3.35Å; L295-D299 PolarHBondContact O-N 3.4Å; A296-D299 PolarHBondContact O-N 3.34Å; D299-S301 PolarHBondContact O-N 3.03Å; D299-T302 CarbonylContact O-C 3.55Å; D299-T302 PolarHBondContact O-N 3.37Å; D299-T302 VanDerWaalsContact O-N 3.16Å; D299-T302 PolarHBondContact O-OG1 3.49Å; D299-A303 WeakPolarHBondContact O-CB 3.39Å; D299-A303 PolarHBondContact O-N 3.43Å
300L89Confident83.2Confident54 Ų5445.5 Ų45.528%0.28325%0.251SS..Hα-helixtrans-57.4-47.9174.8177.165.3000111.6A296 L298 T302 A303A296-L300 VanDerWaalsContact O-CB 3.29Å; A296-L300 WeakPolarHBondContact O-CB 3.37Å; A296-L300 PolarHBondContact O-N 3.35Å; L298-L300 PolarHBondContact O-N 3.25Å; L300-T302 PolarHBondContact O-N 3.11Å; L300-T302 VanDerWaalsContact O-N 3.14Å; L300-A303 PolarHBondContact O-N 2.87Å
301S87.6Confident83.7Confident19 Ų1945.3 Ų45.313%0.13325%0.251CS..Hα-helixtrans-66.8-14.7-178.6-55.20000113.3C188 Q297 L298 D299C188-S301 WeakPolarHBondContact CB-OG 3.46Å; Q297-S301 WeakPolarHBondContact O-CB 3.39Å; Q297-S301 PolarHBondContact O-N 3.33Å; Q297-S301 PolarHBondContact O-OG 2.67Å; L298-S301 PolarHBondContact O-N 3.34Å; D299-S301 PolarHBondContact O-N 3.03Å
302T88Confident84Confident20 Ų2044.5 Ų44.512%0.12325%0.246CC..Hα-helixtrans-107.4-10.2176.154.10000114.8V142 L298 D299 L300 D304 I305 V310 V312 W331V142-T302 HydrophobicContact CG2-CG2 4.08Å; L298-T302 PolarHBondContact O-N 3.26Å; L298-T302 VanDerWaalsContact O-N 3.17Å; L298-T302 PolarHBondContact O-OG1 2.95Å; L298-T302 VanDerWaalsContact O-OG1 3.12Å; D299-T302 CarbonylContact O-C 3.55Å; D299-T302 PolarHBondContact O-N 3.37Å; D299-T302 VanDerWaalsContact O-N 3.16Å; D299-T302 PolarHBondContact O-OG1 3.49Å; L300-T302 PolarHBondContact O-N 3.11Å; L300-T302 VanDerWaalsContact O-N 3.14Å; T302-D304 VanDerWaalsContact C-N 3.34Å; T302-D304 PolarHBondContact O-N 3.45Å; T302-I305 PolarHBondContact O-N 3.43Å; T302-V310 HydrophobicContact CG2-CG1 4.31Å; T302-V312 HydrophobicContact CG2-CG2 4.43Å; T302-W331 HydrophobicContact CG2-CH2 3.7Å; T302-W331 HydrophobicContact CG2-CZ2 4.03Å
303A82.6Confident84.4Confident38 Ų3844.1 Ų44.131%0.31424%0.243SC..Hα-helixtrans-64.8-35.9-166.600000113.6D299 L300 I305D299-A303 WeakPolarHBondContact O-CB 3.39Å; D299-A303 PolarHBondContact O-N 3.43Å; L300-A303 PolarHBondContact O-N 2.87Å; A303-I305 VanDerWaalsContact C-N 3.28Å; A303-I305 PolarHBondContact O-N 2.84Å
304D75.8Confident84.7Confident145 Ų14543.5 Ų43.578%0.77524%0.239SC*.THydrogen-bonded Turntrans-84.6-4.5-176.1-60.5-30.6000112.7T302 T306T302-D304 VanDerWaalsContact C-N 3.34Å; T302-D304 PolarHBondContact O-N 3.45Å; D304-T306 PolarHBondContact O-N 3.17Å
305I79.3Confident85.1Confident33 Ų3343.3 Ų43.317%0.16924%0.238CC..  trans-99.396.5-175-54.6154000109C140 V142 Y186 T302 A303 V310C140-I305 HydrophobicContact CB-CG2 4.11Å; C140-I305 WeakPolarHBondContact SG-CD1 3.36Å; V142-I305 HydrophobicContact CG2-CD1 4.34Å; Y186-I305 HydrophobicContact CD2-CD1 4.19Å; Y186-I305 HydrophobicContact CE2-CD1 4.21Å; T302-I305 PolarHBondContact O-N 3.43Å; A303-I305 VanDerWaalsContact C-N 3.28Å; A303-I305 PolarHBondContact O-N 2.84Å; I305-V310 HydrophobicContact CB-CG2 3.79Å; I305-V310 HydrophobicContact CD1-CG1 4.38Å; I305-V310 HydrophobicContact CD1-CG2 4.09Å; I305-V310 HydrophobicContact CG2-CG2 3.26Å
306T61.6Low85.2Confident123 Ų12343.4 Ų43.476%0.75524%0.239SC*.  trans-108.6-16.9-167.4510000114.9D304D304-T306 PolarHBondContact O-N 3.17Å
307E59.1Low85.4Confident185 Ų18543.6 Ų43.686%0.86424%0.24SC*.SBendtrans-109.1-16.2-168.3-62.2-169.7165.900115.3
308T68.8Low85.6Confident82 Ų8244.9 Ų44.950%0.50325%0.251SS..SBendtrans-132.6151.4-176.254.20000113V310T308-V310 PolarHBondContact O-N 2.97Å
309M77.1Confident85.6Confident124 Ų12451.7 Ų51.761%0.61128%0.283SS*.PPolyproline II helixtrans-63.6118.3173-169.2-173.5-165.700109.1Q340M309-Q340 HydrophobicContact CE-CB 3.79Å; M309-Q340 HydrophobicContact CE-CG 4.38Å; M309-Q340 HydrophobicContact SD-CB 4.42Å
310V88.1Confident85.6Confident5 Ų551.6 Ų51.63%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-86.3129.1-177.3-178.20000110.5C140 V142 T302 I305 T308 V312 S339 Q340C140-V310 HydrophobicContact CB-CG2 4.43Å; V142-V310 HydrophobicContact CG2-CG1 3.77Å; T302-V310 HydrophobicContact CG2-CG1 4.31Å; I305-V310 HydrophobicContact CB-CG2 3.79Å; I305-V310 HydrophobicContact CD1-CG1 4.38Å; I305-V310 HydrophobicContact CD1-CG2 4.09Å; I305-V310 HydrophobicContact CG2-CG2 3.26Å; T308-V310 PolarHBondContact O-N 2.97Å; V310-V312 HydrophobicContact CG1-CG2 4.18Å; V310-S339 CarbonylContact O-C 3.45Å; V310-S339 VanDerWaalsContact O-CA 3.31Å; V310-S339 WeakPolarHBondContact O-CA 3.31Å; V310-Q340 PolarHBondContact O-N 3.05Å
311T91.6Very high85.8Confident22 Ų2249.8 Ų49.814%0.13527%0.273CS..EExtended strand (participates in β ladder)trans-89.7121169.7-570000109.7C140 V141 V142 Q340 R342C140-T311 PolarHBondContact O-N 2.8Å; V141-T311 CarbonylContact C-O 3.5Å; V141-T311 VanDerWaalsContact CA-O 3.24Å; V141-T311 WeakPolarHBondContact CA-O 3.25Å; V142-T311 PolarHBondContact N-O 3.33Å; T311-Q340 CarbonylContact C-O 3.52Å; T311-Q340 WeakPolarHBondContact CA-O 3.31Å; T311-Q340 PolarHBondContact OG1-OE1 3.07Å; T311-R342 HydrophobicContact CG2-CG 4.2Å
312V93.5Very high86Confident0 Ų053 Ų530%028%0.284CS..EExtended strand (participates in β ladder)trans-104.3111.5175.8-174.20000108.5V142 N144 L298 T302 V310 H314 W331 Q340 Q341 R342V142-V312 HydrophobicContact CB-CG1 4.34Å; V142-V312 HydrophobicContact CB-CG2 4.2Å; V142-V312 HydrophobicContact CG1-CG1 4.48Å; V142-V312 CarbonylContact O-C 3.59Å; V142-V312 WeakPolarHBondContact O-CA 3.49Å; N144-V312 HydrophobicContact CB-CG1 4.46Å; L298-V312 HydrophobicContact CD2-CG1 4.27Å; T302-V312 HydrophobicContact CG2-CG2 4.43Å; V310-V312 HydrophobicContact CG1-CG2 4.18Å; V312-H314 VanDerWaalsContact CG1-CE1 3.41Å; V312-H314 WeakPolarHBondContact CG1-CE1 3.27Å; V312-W331 HydrophobicContact CB-CZ3 4.33Å; V312-W331 HydrophobicContact CG1-CZ3 4.19Å; V312-W331 HydrophobicContact CG2-CH2 3.96Å; V312-W331 HydrophobicContact CG2-CZ3 3.85Å; V312-Q340 PolarHBondContact N-O 3.27Å; V312-Q341 HydrophobicContact CB-CG 4.41Å; V312-Q341 WeakPolarHBondContact O-CA 3.47Å; V312-R342 PolarHBondContact O-N 3.49Å
313L95.6Very high86.2Confident0 Ų055.8 Ų55.80%029%0.293CS..EExtended strand (participates in β ladder)trans-98.8109.9178-175.966.1000109.8V141 V142 L143 N144 V315 R342 L344 L496 V505 I507V141-L313 HydrophobicContact CG1-CB 4.44Å; V142-L313 PolarHBondContact O-N 3.19Å; L143-L313 HydrophobicContact CD2-CB 3.83Å; L143-L313 HydrophobicContact CD2-CD2 3.75Å; L143-L313 HydrophobicContact CD2-CG 4.25Å; N144-L313 PolarHBondContact N-O 3.11Å; L313-V315 HydrophobicContact CD2-CG2 4.4Å; L313-V315 HydrophobicContact CG-CG2 4.3Å; L313-R342 HydrophobicContact CD1-CB 3.82Å; L313-L344 HydrophobicContact CD1-CB 4.1Å; L313-L344 HydrophobicContact CG-CB 4.43Å; L313-L496 HydrophobicContact CD1-CD2 4.13Å; L313-L496 HydrophobicContact CD2-CD2 4.31Å; L313-V505 HydrophobicContact CD1-CG1 3.58Å; L313-I507 HydrophobicContact CD2-CD1 4.04Å
314H96.3Very high86.7Confident0 Ų054.1 Ų54.10%028%0.278CS..EExtended strand (participates in β ladder)trans-86.2109.3174.8-52.9-58000110.4N144 V312 Q324 Q341 R342 H343 L344N144-H314 WeakPolarHBondContact CB-ND1 3.49Å; N144-H314 PolarHBondContact ND2-ND1 3.27Å; V312-H314 VanDerWaalsContact CG1-CE1 3.41Å; V312-H314 WeakPolarHBondContact CG1-CE1 3.27Å; H314-Q324 HydrophobicContact CB-CG 3.91Å; H314-Q324 PolarHBondContact ND1-NE2 2.97Å; H314-Q324 VanDerWaalsContact ND1-NE2 3.19Å; H314-Q341 PolarHBondContact NE2-OE1 3.42Å; H314-Q341 VanDerWaalsContact NE2-OE1 3.15Å; H314-R342 PolarHBondContact N-O 2.93Å; H314-H343 AromaticContact CD2-CE1 3.6Å; H314-H343 AromaticContact CD2-ND1 3.99Å; H314-H343 AromaticContact CD2-NE2 3.7Å; H314-H343 WeakPolarHBondContact O-CA 3.34Å; H314-L344 PolarHBondContact O-N 3.44Å
315V97.6Very high87.5Confident0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-94.4101.5177.3-175.10000108.9N144 P146 T167 L170 T171 L313 L344N144-V315 PolarHBondContact O-N 3.02Å; P146-V315 WeakPolarHBondContact CD-O 3.42Å; T167-V315 WeakPolarHBondContact O-CG1 3.46Å; L170-V315 HydrophobicContact CB-CG1 4.06Å; T171-V315 HydrophobicContact CG2-CG2 4.19Å; T171-V315 VanDerWaalsContact OG1-CB 3.26Å; T171-V315 WeakPolarHBondContact OG1-CB 3.33Å; T171-V315 WeakPolarHBondContact OG1-CG1 3.29Å; L313-V315 HydrophobicContact CD2-CG2 4.4Å; L313-V315 HydrophobicContact CG-CG2 4.3Å; V315-L344 HydrophobicContact CG1-CD2 4.14Å; V315-L344 HydrophobicContact CG2-CB 4.27Å; V315-L344 HydrophobicContact CG2-CD2 4.11Å
316T95.6Very high88.1Confident2 Ų248 Ų481%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-127.8154.1-169.2-171.70000112.5D320 E321 Q324 L344 V345 C346T316-D320 WeakPolarHBondContact OG1-CB 3.46Å; T316-E321 HydrophobicContact CG2-CB 4.37Å; T316-E321 HydrophobicContact CG2-CG 4.41Å; T316-Q324 HydrophobicContact CG2-CB 4.37Å; T316-Q324 HydrophobicContact CG2-CG 4.46Å; T316-L344 PolarHBondContact N-O 3.33Å; T316-V345 HydrophobicContact CG2-CG2 4.24Å; T316-V345 CarbonylContact O-C 3.56Å; T316-V345 WeakPolarHBondContact O-CA 3.43Å; T316-C346 WeakPolarHBondContact O-CB 3.45Å; T316-C346 PolarHBondContact O-N 3.23Å
317S94.7Very high89.6Confident4 Ų442.2 Ų42.23%0.02821%0.209CC..EExtended strand (participates in β ladder)trans-68.5149167171.20000109.8Q319 D320 E321S317-Q319 PolarHBondContact O-N 3.29Å; S317-Q319 PolarHBondContact OG-N 2.95Å; S317-Q319 VanDerWaalsContact OG-N 3.14Å; S317-D320 PolarHBondContact O-N 2.86Å; S317-E321 PolarHBondContact O-N 3.4Å
318C93.2Very high91.2Very high52 Ų5233.4 Ų33.435%0.35117%0.168SC..THydrogen-bonded Turntrans-58.7-23.8170.366.50000112.7V345 C346C318-V345 HydrophobicContact CB-CG1 3.93Å; C318-C346 WeakPolarHBondContact CB-O 3.37Å; C318-C346 PolarHBondContact N-O 3.37Å
319Q91.8Very high92.3Very high143 Ų14329.6 Ų29.667%0.66814%0.144SC*.THydrogen-bonded Turntrans-75.7-32.4176-64.9171-29.100112.4S317S317-Q319 PolarHBondContact O-N 3.29Å; S317-Q319 PolarHBondContact OG-N 2.95Å; S317-Q319 VanDerWaalsContact OG-N 3.14Å
320D91.2Very high93Very high32 Ų3223.8 Ų23.817%0.17112%0.115CC..THydrogen-bonded Turntrans-95.6-3.5-179-73.5-64.5000112.5K151 T316 S317 F322 R323 Q324K151-D320 IonicContact NZ-OD1 2.81Å; K151-D320 PolarHBondContact NZ-OD1 3.36Å; K151-D320 IonicContact NZ-OD2 3.27Å; T316-D320 WeakPolarHBondContact OG1-CB 3.46Å; S317-D320 PolarHBondContact O-N 2.86Å; D320-F322 PolarHBondContact O-N 2.75Å; D320-R323 PolarHBondContact O-N 2.66Å; D320-Q324 PolarHBondContact O-N 3.25Å
321E93.1Very high93.2Very high17 Ų1723.5 Ų23.58%0.07911%0.114CC..Hα-helixtrans-57.7-48.6-170.8-173.1-169.8174.800112.7T316 S317 R323 Q324 Q325 V345 R504T316-E321 HydrophobicContact CG2-CB 4.37Å; T316-E321 HydrophobicContact CG2-CG 4.41Å; S317-E321 PolarHBondContact O-N 3.4Å; E321-R323 VanDerWaalsContact C-N 3.32Å; E321-R323 PolarHBondContact O-N 3.36Å; E321-Q324 PolarHBondContact O-N 3.4Å; E321-Q324 VanDerWaalsContact O-N 3.08Å; E321-Q325 HydrophobicContact CG-CG 4.44Å; E321-Q325 WeakPolarHBondContact O-CG 3.13Å; E321-Q325 PolarHBondContact O-N 2.79Å; E321-Q325 PolarHBondContact OE1-NE2 3.04Å; E321-V345 HydrophobicContact CB-CG1 4.35Å; E321-V345 HydrophobicContact CG-CG1 4.31Å; E321-V345 HydrophobicContact CG-CG2 3.91Å; E321-R504 IonicContact OE1-CZ 2.78Å; E321-R504 IonicContact OE1-NE 3.86Å; E321-R504 PolarHBondContact OE1-NE 3.32Å; E321-R504 IonicContact OE1-NH2 3.33Å; E321-R504 PolarHBondContact OE1-NH2 3.38Å; E321-R504 IonicContact OE2-CZ 3.57Å; E321-R504 IonicContact OE2-NE 3.54Å; E321-R504 IonicContact OE2-NH2 3.56Å; E321-R504 PolarHBondContact OE2-NH2 3.28Å
322F92.5Very high93.1Very high87 Ų8724.1 Ų24.138%0.38211%0.114SC..Hα-helixtrans-57.8-46.4-179.1-179-95.2000111.2T280 L281 D320 Q324 Q325 Q326T280-F322 WeakPolarHBondContact OG1-CE2 3.36Å; L281-F322 HydrophobicContact CD2-CD2 4.13Å; L281-F322 HydrophobicContact CD2-CE2 3.68Å; L281-F322 HydrophobicContact CD2-CZ 3.9Å; L281-F322 HydrophobicContact CG-CE2 4.26Å; D320-F322 PolarHBondContact O-N 2.75Å; F322-Q324 VanDerWaalsContact C-N 3.34Å; F322-Q324 PolarHBondContact O-N 3.34Å; F322-Q325 PolarHBondContact O-N 3.32Å; F322-Q326 HydrophobicContact CD1-CG 4.46Å; F322-Q326 HydrophobicContact CE1-CG 4.19Å; F322-Q326 WeakPolarHBondContact O-CG 3.24Å; F322-Q326 PolarHBondContact O-N 3.12Å
323R91.3Very high92.9Very high78 Ų7824.4 Ų24.429%0.29412%0.116SC..Hα-helixtrans-61.8-42.5175.5177.6-179.3158131.5-2.3111.1D320 E321 Q325 Q326 I327D320-R323 PolarHBondContact O-N 2.66Å; E321-R323 VanDerWaalsContact C-N 3.32Å; E321-R323 PolarHBondContact O-N 3.36Å; R323-Q325 VanDerWaalsContact C-N 3.31Å; R323-Q325 PolarHBondContact O-N 2.97Å; R323-Q326 WeakPolarHBondContact O-CB 3.5Å; R323-Q326 PolarHBondContact O-N 3.08Å; R323-Q326 VanDerWaalsContact O-N 3.14Å; R323-I327 WeakPolarHBondContact O-CG1 3.42Å; R323-I327 PolarHBondContact O-N 2.88Å
324Q93.4Very high92.6Very high3 Ų325.3 Ų25.31%0.01412%0.123CC..Hα-helixtrans-66-35.1179.3-175.553.83400112.4N144 P146 H294 H314 T316 D320 E321 F322 Q326 I327 A328N144-Q324 PolarHBondContact ND2-NE2 3.28Å; N144-Q324 VanDerWaalsContact ND2-NE2 3.11Å; P146-Q324 HydrophobicContact CG-CG 3.94Å; H294-Q324 PolarHBondContact CE1-OE1 3.41Å; H314-Q324 HydrophobicContact CB-CG 3.91Å; H314-Q324 PolarHBondContact ND1-NE2 2.97Å; H314-Q324 VanDerWaalsContact ND1-NE2 3.19Å; T316-Q324 HydrophobicContact CG2-CB 4.37Å; T316-Q324 HydrophobicContact CG2-CG 4.46Å; D320-Q324 PolarHBondContact O-N 3.25Å; E321-Q324 PolarHBondContact O-N 3.4Å; E321-Q324 VanDerWaalsContact O-N 3.08Å; F322-Q324 VanDerWaalsContact C-N 3.34Å; F322-Q324 PolarHBondContact O-N 3.34Å; Q324-Q326 VanDerWaalsContact C-N 3.34Å; Q324-I327 PolarHBondContact O-N 3.1Å; Q324-A328 WeakPolarHBondContact O-CB 3.49Å; Q324-A328 PolarHBondContact O-N 2.94Å
325Q93Very high92.1Very high4 Ų427.7 Ų27.72%0.01915%0.147CC..Hα-helixtrans-65.6-37.6172-69.5-173.422.200111.6Y277 L281 E321 F322 R323 A328 V329Y277-Q325 HydrophobicContact CD1-CB 4.07Å; Y277-Q325 HydrophobicContact CD1-CG 4.1Å; Y277-Q325 HydrophobicContact CE1-CB 4.45Å; Y277-Q325 HydrophobicContact CE1-CG 4.46Å; L281-Q325 HydrophobicContact CD1-CB 3.96Å; L281-Q325 HydrophobicContact CD2-CB 4.41Å; E321-Q325 HydrophobicContact CG-CG 4.44Å; E321-Q325 WeakPolarHBondContact O-CG 3.13Å; E321-Q325 PolarHBondContact O-N 2.79Å; E321-Q325 PolarHBondContact OE1-NE2 3.04Å; F322-Q325 PolarHBondContact O-N 3.32Å; R323-Q325 VanDerWaalsContact C-N 3.31Å; R323-Q325 PolarHBondContact O-N 2.97Å; Q325-A328 PolarHBondContact O-N 3.19Å; Q325-V329 WeakPolarHBondContact O-CG2 3.49Å; Q325-V329 PolarHBondContact O-N 3.47Å; Q325-V329 VanDerWaalsContact O-N 3.09Å
326Q92.1Very high91.5Very high44 Ų4428.4 Ų28.421%0.20615%0.153CC..Hα-helixtrans-60.2-46.3172.5-67.6177.2-46.200111.8L265 L281 F322 R323 Q324 V329 L330L265-Q326 HydrophobicContact CD1-CB 4.03Å; L265-Q326 HydrophobicContact CD1-CG 3.97Å; L281-Q326 HydrophobicContact CD2-CG 3.47Å; L281-Q326 VanDerWaalsContact CD2-CG 3.47Å; F322-Q326 HydrophobicContact CD1-CG 4.46Å; F322-Q326 HydrophobicContact CE1-CG 4.19Å; F322-Q326 WeakPolarHBondContact O-CG 3.24Å; F322-Q326 PolarHBondContact O-N 3.12Å; R323-Q326 WeakPolarHBondContact O-CB 3.5Å; R323-Q326 PolarHBondContact O-N 3.08Å; R323-Q326 VanDerWaalsContact O-N 3.14Å; Q324-Q326 VanDerWaalsContact C-N 3.34Å; Q326-V329 PolarHBondContact O-N 2.84Å; Q326-L330 WeakPolarHBondContact O-CB 3.35Å; Q326-L330 VanDerWaalsContact O-CG 3.27Å; Q326-L330 WeakPolarHBondContact O-CG 3.38Å; Q326-L330 PolarHBondContact O-N 3.5Å
327I92.7Very high90.5Very high3 Ų331.6 Ų31.62%0.01517%0.172CC..Hα-helixtrans-60.6-46.4177.2-65.4-63.7000111.1L295 L298 R323 Q324 V329 L330 W331L295-I327 HydrophobicContact CD2-CG2 3.88Å; L295-I327 WeakPolarHBondContact CD2-O 3.46Å; L298-I327 HydrophobicContact CD1-CG2 4.07Å; R323-I327 WeakPolarHBondContact O-CG1 3.42Å; R323-I327 PolarHBondContact O-N 2.88Å; Q324-I327 PolarHBondContact O-N 3.1Å; I327-V329 VanDerWaalsContact C-N 3.34Å; I327-V329 PolarHBondContact O-N 3.48Å; I327-L330 HydrophobicContact CD1-CD1 4.49Å; I327-L330 PolarHBondContact O-N 3.29Å; I327-W331 PolarHBondContact O-N 3.34Å
328A92.2Very high89.5Confident0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-55.6-46.8178.400000112.7Y277 Q324 Q325 W331 R332 Q341Y277-A328 HydrophobicContact CE1-CB 4.21Å; Q324-A328 WeakPolarHBondContact O-CB 3.49Å; Q324-A328 PolarHBondContact O-N 2.94Å; Q325-A328 PolarHBondContact O-N 3.19Å; A328-W331 PolarHBondContact O-N 3.46Å; A328-R332 PolarHBondContact O-N 3.4Å; A328-Q341 PolarHBondContact O-NE2 3.43Å; A328-Q341 PolarHBondContact O-OE1 3.3Å
329V91.8Very high88.9Confident2 Ų236.7 Ų36.71%0.01219%0.191CC..Hα-helixtrans-74.6-34.9179.6-176.70000111.9L265 V268 L274 Y277 Q325 Q326 I327 W331 R332 A333L265-V329 HydrophobicContact CB-CB 4.49Å; L265-V329 HydrophobicContact CB-CG1 3.86Å; L265-V329 HydrophobicContact CD1-CB 4.46Å; L265-V329 HydrophobicContact CD2-CB 4.2Å; L265-V329 HydrophobicContact CD2-CG1 3.86Å; L265-V329 HydrophobicContact CG-CG1 4.32Å; V268-V329 HydrophobicContact CB-CG1 3.62Å; V268-V329 HydrophobicContact CG1-CG1 3.67Å; V268-V329 HydrophobicContact CG2-CG1 4.03Å; L274-V329 HydrophobicContact CD1-CG2 4.49Å; Y277-V329 HydrophobicContact CD1-CG2 3.92Å; Y277-V329 HydrophobicContact CE1-CG2 3.88Å; Q325-V329 WeakPolarHBondContact O-CG2 3.49Å; Q325-V329 PolarHBondContact O-N 3.47Å; Q325-V329 VanDerWaalsContact O-N 3.09Å; Q326-V329 PolarHBondContact O-N 2.84Å; I327-V329 VanDerWaalsContact C-N 3.34Å; I327-V329 PolarHBondContact O-N 3.48Å; V329-W331 VanDerWaalsContact C-N 3.26Å; V329-W331 PolarHBondContact O-N 3Å; V329-R332 WeakPolarHBondContact O-CB 3.47Å; V329-R332 PolarHBondContact O-N 2.96Å; V329-A333 PolarHBondContact O-N 3.45Å
330L91.8Very high88.7Confident1 Ų132.3 Ų32.31%0.00517%0.171CC..Hα-helixtrans-60.5-39.1171.9-79.9171000111.5L228 I263 L265 C284 V286 L295 Q326 I327 A333 S334L228-L330 HydrophobicContact CD2-CD2 4.4Å; I263-L330 HydrophobicContact CB-CD2 3.81Å; I263-L330 HydrophobicContact CG1-CD2 3.89Å; I263-L330 HydrophobicContact CG2-CD2 4.09Å; L265-L330 HydrophobicContact CD2-CD2 3.78Å; L265-L330 HydrophobicContact CD2-CG 3.88Å; C284-L330 HydrophobicContact CB-CD2 4.39Å; V286-L330 HydrophobicContact CG2-CD1 4.26Å; V286-L330 HydrophobicContact CG2-CD2 3.75Å; L295-L330 HydrophobicContact CD1-CB 4.11Å; L295-L330 HydrophobicContact CD2-CB 4.47Å; Q326-L330 WeakPolarHBondContact O-CB 3.35Å; Q326-L330 VanDerWaalsContact O-CG 3.27Å; Q326-L330 WeakPolarHBondContact O-CG 3.38Å; Q326-L330 PolarHBondContact O-N 3.5Å; I327-L330 HydrophobicContact CD1-CD1 4.49Å; I327-L330 PolarHBondContact O-N 3.29Å; L330-A333 CarbonylContact O-C 3.57Å; L330-A333 WeakPolarHBondContact O-CB 3.35Å; L330-A333 PolarHBondContact O-N 2.53Å; L330-A333 VanDerWaalsContact O-N 3.17Å; L330-S334 PolarHBondContact O-N 3.38Å
331W91.8Very high88.7Confident0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-65.8-38.9177.7-161.428.5000112.5L295 L298 T302 V312 I327 A328 V329 A333 S334 G335 A336 Q341L295-W331 HydrophobicContact CD2-CB 3.37Å; L295-W331 HydrophobicContact CD2-CG 3.77Å; L298-W331 HydrophobicContact CB-CD2 4.12Å; L298-W331 HydrophobicContact CB-CE3 4.37Å; L298-W331 HydrophobicContact CB-CH2 3.99Å; L298-W331 HydrophobicContact CB-CZ2 3.72Å; L298-W331 HydrophobicContact CB-CZ3 4.31Å; L298-W331 HydrophobicContact CD1-CD2 4.29Å; L298-W331 HydrophobicContact CD1-CE3 4.16Å; L298-W331 HydrophobicContact CD2-CZ3 4.45Å; T302-W331 HydrophobicContact CG2-CH2 3.7Å; T302-W331 HydrophobicContact CG2-CZ2 4.03Å; V312-W331 HydrophobicContact CB-CZ3 4.33Å; V312-W331 HydrophobicContact CG1-CZ3 4.19Å; V312-W331 HydrophobicContact CG2-CH2 3.96Å; V312-W331 HydrophobicContact CG2-CZ3 3.85Å; I327-W331 PolarHBondContact O-N 3.34Å; A328-W331 PolarHBondContact O-N 3.46Å; V329-W331 VanDerWaalsContact C-N 3.26Å; V329-W331 PolarHBondContact O-N 3Å; W331-A333 VanDerWaalsContact C-N 3.33Å; W331-S334 PolarHBondContact O-N 3.03Å; W331-S334 PolarHBondContact O-OG 2.85Å; W331-G335 PolarHBondContact O-N 2.74Å; W331-A336 HydrophobicContact CD2-CB 3.67Å; W331-A336 HydrophobicContact CE3-CB 4.4Å; W331-A336 HydrophobicContact CG-CB 3.73Å; W331-A336 HydrophobicContact CZ2-CB 4.12Å; W331-A336 VanDerWaalsContact O-CB 3.29Å; W331-A336 WeakPolarHBondContact O-CB 3.32Å; W331-A336 PolarHBondContact O-N 3.07Å; W331-A336 VanDerWaalsContact O-N 3.15Å; W331-Q341 HydrophobicContact CZ3-CG 4.43Å
332R90.1Very high88.7Confident34 Ų3431.2 Ų31.213%0.12816%0.164CC..Hα-helixtrans-58.1-47.8169.2-69.1-61-167.3136.9-17111V268 E272 A328 V329 S334 G335 A336 T337 S339V268-R332 HydrophobicContact CG1-CB 4.09Å; E272-R332 IonicContact OE2-CZ 3.75Å; E272-R332 IonicContact OE2-NH1 3.12Å; E272-R332 PolarHBondContact OE2-NH1 2.92Å; E272-R332 VanDerWaalsContact OE2-NH1 3.1Å; A328-R332 PolarHBondContact O-N 3.4Å; V329-R332 WeakPolarHBondContact O-CB 3.47Å; V329-R332 PolarHBondContact O-N 2.96Å; R332-S334 PolarHBondContact O-N 2.63Å; R332-G335 PolarHBondContact O-N 2.98Å; R332-A336 VanDerWaalsContact CD-O 3.27Å; R332-A336 WeakPolarHBondContact CD-O 3.45Å; R332-T337 PolarHBondContact NH1-O 3.32Å; R332-S339 PolarHBondContact NH2-O 2.96Å
333A90.1Very high88.7Confident6 Ų627 Ų275%0.0515%0.146CC..Hα-helixtrans-63.7-21.9179.200000114.3L228 S231 Y233 I263 V268 V329 L330 W331 G335L228-A333 HydrophobicContact CD2-CB 4.45Å; S231-A333 WeakPolarHBondContact CB-O 3.41Å; S231-A333 PolarHBondContact OG-O 2.82Å; Y233-A333 HydrophobicContact CD2-CB 3.81Å; I263-A333 HydrophobicContact CG2-CB 3.98Å; V268-A333 HydrophobicContact CG2-CB 4.01Å; V329-A333 PolarHBondContact O-N 3.45Å; L330-A333 CarbonylContact O-C 3.57Å; L330-A333 WeakPolarHBondContact O-CB 3.35Å; L330-A333 PolarHBondContact O-N 2.53Å; L330-A333 VanDerWaalsContact O-N 3.17Å; W331-A333 VanDerWaalsContact C-N 3.33Å; A333-G335 VanDerWaalsContact C-N 3.34Å
334S89.1Confident89Confident20 Ų2023.3 Ų23.314%0.1413%0.132CC..THydrogen-bonded Turntrans-86.2-0.2172.364.60000114L330 W331 R332L330-S334 PolarHBondContact O-N 3.38Å; W331-S334 PolarHBondContact O-N 3.03Å; W331-S334 PolarHBondContact O-OG 2.85Å; R332-S334 PolarHBondContact O-N 2.63Å
335G85.5Confident89.1Confident49 Ų4924 Ų2451%0.50514%0.136SC..THydrogen-bonded Turntrans109.15.3174.100000116.1W331 R332 A333 T337W331-G335 PolarHBondContact O-N 2.74Å; R332-G335 PolarHBondContact O-N 2.98Å; A333-G335 VanDerWaalsContact C-N 3.34Å; G335-T337 PolarHBondContact O-N 3.15Å
336A84.1Confident89.3Confident16 Ų1623.9 Ų23.913%0.13214%0.135CC..  trans-79.162.1-17900000113W331 R332W331-A336 HydrophobicContact CD2-CB 3.67Å; W331-A336 HydrophobicContact CE3-CB 4.4Å; W331-A336 HydrophobicContact CG-CB 3.73Å; W331-A336 HydrophobicContact CZ2-CB 4.12Å; W331-A336 VanDerWaalsContact O-CB 3.29Å; W331-A336 WeakPolarHBondContact O-CB 3.32Å; W331-A336 PolarHBondContact O-N 3.07Å; W331-A336 VanDerWaalsContact O-N 3.15Å; R332-A336 VanDerWaalsContact CD-O 3.27Å; R332-A336 WeakPolarHBondContact CD-O 3.45Å
337T74.9Confident89.4Confident68 Ų6822 Ų2242%0.41713%0.128SC..THydrogen-bonded Turntrans-80.5-20.9-171.555.40000114.3R332 G335 S339R332-T337 PolarHBondContact NH1-O 3.32Å; G335-T337 PolarHBondContact O-N 3.15Å; T337-S339 VanDerWaalsContact C-N 3.34Å; T337-S339 PolarHBondContact O-N 3.35Å
338H73.9Confident89.6Confident156 Ų15623.4 Ų23.472%0.72214%0.137SC*.THydrogen-bonded Turntrans-84.10.5-174.6-61.8-70.9000115
339S81.6Confident89.7Confident8 Ų824.6 Ų24.66%0.05614%0.144CC..EExtended strand (participates in β ladder)trans-107117.2-174.6-510000112.4V310 R332 T337 Q341V310-S339 CarbonylContact O-C 3.45Å; V310-S339 VanDerWaalsContact O-CA 3.31Å; V310-S339 WeakPolarHBondContact O-CA 3.31Å; R332-S339 PolarHBondContact NH2-O 2.96Å; T337-S339 VanDerWaalsContact C-N 3.34Å; T337-S339 PolarHBondContact O-N 3.35Å; S339-Q341 PolarHBondContact O-N 3.48Å
340Q87.4Confident89.8Confident50 Ų5029.9 Ų29.923%0.23417%0.167CC..EExtended strand (participates in β ladder)trans-72.3110.6172.5-167.7-173.245.700109.9M309 V310 T311 V312M309-Q340 HydrophobicContact CE-CB 3.79Å; M309-Q340 HydrophobicContact CE-CG 4.38Å; M309-Q340 HydrophobicContact SD-CB 4.42Å; V310-Q340 PolarHBondContact O-N 3.05Å; T311-Q340 CarbonylContact C-O 3.52Å; T311-Q340 WeakPolarHBondContact CA-O 3.31Å; T311-Q340 PolarHBondContact OG1-OE1 3.07Å; V312-Q340 PolarHBondContact N-O 3.27Å
341Q90.3Very high89.8Confident11 Ų1131 Ų315%0.05117%0.174CC..EExtended strand (participates in β ladder)trans-95.3129.6-176.7-61.2-176.650.800111.1V312 H314 A328 W331 S339V312-Q341 HydrophobicContact CB-CG 4.41Å; V312-Q341 WeakPolarHBondContact O-CA 3.47Å; H314-Q341 PolarHBondContact NE2-OE1 3.42Å; H314-Q341 VanDerWaalsContact NE2-OE1 3.15Å; A328-Q341 PolarHBondContact O-NE2 3.43Å; A328-Q341 PolarHBondContact O-OE1 3.3Å; W331-Q341 HydrophobicContact CZ3-CG 4.43Å; S339-Q341 PolarHBondContact O-N 3.48Å
342R92.7Very high89.5Confident15 Ų1535.5 Ų35.56%0.05720%0.203CC..EExtended strand (participates in β ladder)trans-130.1150.6179.4-60.9-66-163.8166.46.3110.1T311 V312 L313 H314 C498 G501 G502 A503 V505T311-R342 HydrophobicContact CG2-CG 4.2Å; V312-R342 PolarHBondContact O-N 3.49Å; L313-R342 HydrophobicContact CD1-CB 3.82Å; H314-R342 PolarHBondContact N-O 2.93Å; R342-C498 PolarHBondContact NH2-O 2.96Å; R342-G501 PolarHBondContact NH1-O 3.34Å; R342-G502 PolarHBondContact NH1-O 3.33Å; R342-G502 VanDerWaalsContact NH1-O 3.14Å; R342-A503 CarbonylContact C-O 3.5Å; R342-A503 WeakPolarHBondContact CA-O 3.43Å; R342-V505 HydrophobicContact CB-CG1 4.31Å
343H94Very high89Confident0 Ų038.3 Ų38.30%024%0.243CC..EExtended strand (participates in β ladder)trans-122118.2-177.7-64.7-105.4000111.3Y277 H314 V345 A503 R504 V505Y277-H343 AromaticContact CE1-NE2 3.78Å; H314-H343 AromaticContact CD2-CE1 3.6Å; H314-H343 AromaticContact CD2-ND1 3.99Å; H314-H343 AromaticContact CD2-NE2 3.7Å; H314-H343 WeakPolarHBondContact O-CA 3.34Å; H343-V345 HydrophobicContact CB-CG2 4.18Å; H343-A503 PolarHBondContact N-O 2.84Å; H343-R504 WeakPolarHBondContact O-CA 3.47Å; H343-V505 PolarHBondContact O-N 3.48Å
344L95.7Very high88.7Confident0 Ų039.7 Ų39.70%025%0.252CS..EExtended strand (participates in β ladder)trans-96.2100.3168.3-173.172.1000108.5M174 L313 H314 V315 T316 H407 V505 I507 T509M174-L344 HydrophobicContact CG-CD2 4.27Å; L313-L344 HydrophobicContact CD1-CB 4.1Å; L313-L344 HydrophobicContact CG-CB 4.43Å; H314-L344 PolarHBondContact O-N 3.44Å; V315-L344 HydrophobicContact CG1-CD2 4.14Å; V315-L344 HydrophobicContact CG2-CB 4.27Å; V315-L344 HydrophobicContact CG2-CD2 4.11Å; T316-L344 PolarHBondContact N-O 3.33Å; L344-H407 VanDerWaalsContact CD1-CD2 3.46Å; L344-H407 WeakPolarHBondContact CD1-CD2 3.25Å; L344-H407 WeakPolarHBondContact CD1-NE2 3.23Å; L344-V505 HydrophobicContact CB-CG1 4.48Å; L344-V505 HydrophobicContact CD1-CG1 4.44Å; L344-I507 HydrophobicContact CD1-CB 3.97Å; L344-I507 HydrophobicContact CD1-CD1 4.25Å; L344-I507 HydrophobicContact CD1-CG1 4.05Å; L344-T509 HydrophobicContact CD2-CG2 4.19Å
345V95.7Very high88.5Confident17 Ų1747.5 Ų47.510%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-94.8119.4-171.8-174.90000111.2T316 C318 E321 H343 H407 R504T316-V345 HydrophobicContact CG2-CG2 4.24Å; T316-V345 CarbonylContact O-C 3.56Å; T316-V345 WeakPolarHBondContact O-CA 3.43Å; C318-V345 HydrophobicContact CB-CG1 3.93Å; E321-V345 HydrophobicContact CB-CG1 4.35Å; E321-V345 HydrophobicContact CG-CG1 4.31Å; E321-V345 HydrophobicContact CG-CG2 3.91Å; H343-V345 HydrophobicContact CB-CG2 4.18Å; V345-H407 PolarHBondContact O-CD2 3.41Å; V345-R504 HydrophobicContact CG2-CG 4.23Å
346C96.9Very high88.7Confident1 Ų147 Ų471%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-95.6130.8-173.8-54.80000111.3T167 L170 T316 C318 H407T167-C346 HydrophobicContact CG2-CB 3.92Å; L170-C346 HydrophobicContact CD1-CB 4.25Å; L170-C346 WeakPolarHBondContact CD1-SG 3.36Å; T316-C346 WeakPolarHBondContact O-CB 3.45Å; T316-C346 PolarHBondContact O-N 3.23Å; C318-C346 WeakPolarHBondContact CB-O 3.37Å; C318-C346 PolarHBondContact N-O 3.37Å; C346-H407 CarbonylContact C-O 3.52Å; C346-H407 WeakPolarHBondContact CA-O 3.4Å
347G96.3Very high89.2Confident5 Ų547.7 Ų47.75%0.05227%0.274CS..PPolyproline II helixtrans-65.6157.9172.600000112.1R166 H407R166-G347 PolarHBondContact NH1-O 2.94Å; G347-H407 PolarHBondContact N-O 3.12Å
348P95.1Very high90.1Very high33 Ų3344.4 Ų44.421%0.21425%0.254CS..PPolyproline II helixtrans-71.6153.7-171.630.9-35.1000111.8P410 V411P348-P410 HydrophobicContact CG-CB 4.08Å; P348-P410 CarbonylContact O-C 3.5Å; P348-P410 VanDerWaalsContact O-CA 3.25Å; P348-P410 WeakPolarHBondContact O-CA 3.32Å; P348-V411 PolarHBondContact O-N 3.1Å
349V95.6Very high91Very high24 Ų2438.1 Ų38.115%0.14523%0.229CC..EExtended strand (participates in β ladder)trans-97.7127.3169.7-175.90000108.8L162 R166 L402 V411 L413L162-V349 HydrophobicContact CB-CB 3.87Å; L162-V349 HydrophobicContact CB-CG1 3.68Å; L162-V349 HydrophobicContact CB-CG2 4.45Å; L162-V349 HydrophobicContact CD1-CG1 4.24Å; L162-V349 WeakPolarHBondContact O-CG2 3.4Å; R166-V349 HydrophobicContact CB-CG2 3.96Å; R166-V349 HydrophobicContact CG-CG2 4.48Å; V349-L402 HydrophobicContact CG1-CD2 4.09Å; V349-L402 HydrophobicContact CG2-CD2 3.88Å; V349-V411 CarbonylContact C-O 3.53Å; V349-V411 VanDerWaalsContact CA-O 3.31Å; V349-V411 WeakPolarHBondContact CA-O 3.48Å; V349-V411 HydrophobicContact CG2-CB 4.35Å; V349-L413 HydrophobicContact CG1-CD1 3.53Å; V349-L413 HydrophobicContact CG1-CG 3.86Å
350K93.3Very high91.7Very high114 Ų11441.7 Ų41.750%0.49625%0.245SC..EExtended strand (participates in β ladder)trans-114.7133.6-176.5-62.2-176.5179.7-176.70110.1V411 T412 L413K350-V411 PolarHBondContact N-O 3.42Å; K350-T412 CarbonylContact O-C 3.6Å; K350-T412 VanDerWaalsContact O-CA 3.32Å; K350-T412 WeakPolarHBondContact O-CA 3.48Å; K350-L413 PolarHBondContact O-N 2.82Å
351T91.1Very high92Very high23 Ų2339.3 Ų39.314%0.14123%0.234CC..  trans-123.793.7174.240.60000107.9L162 G353 S354 L413 V415L162-T351 HydrophobicContact CD1-CG2 3.49Å; L162-T351 VanDerWaalsContact CD1-CG2 3.49Å; T351-G353 PolarHBondContact O-N 2.92Å; T351-G353 VanDerWaalsContact O-N 3.16Å; T351-S354 WeakPolarHBondContact CB-O 3.43Å; T351-S354 PolarHBondContact O-N 2.88Å; T351-S354 PolarHBondContact OG1-O 3.35Å; T351-L413 HydrophobicContact CG2-CB 4.09Å; T351-L413 HydrophobicContact CG2-CD1 4.49Å; T351-V415 HydrophobicContact CG2-CG1 3.68Å; T351-V415 HydrophobicContact CG2-CG2 4.29Å
352P86.1Confident92.2Very high95 Ų9540.1 Ų40.162%0.61724%0.238SC*.THydrogen-bonded Turntrans-56.4123.2-176.9-24.334.5000111.2S354 T412 L413P352-S354 VanDerWaalsContact C-N 3.3Å; P352-S354 PolarHBondContact O-N 2.78Å; P352-T412 HydrophobicContact CG-CG2 3.68Å; P352-L413 WeakPolarHBondContact CD-O 3.31Å
353G80.3Confident92.2Very high93 Ų9346.3 Ų46.396%0.95927%0.268SS*.THydrogen-bonded Turntrans74.310.4176.600000115.9T351T351-G353 PolarHBondContact O-N 2.92Å; T351-G353 VanDerWaalsContact O-N 3.16Å
354S83.6Confident92.1Very high36 Ų3648 Ų4825%0.25228%0.276SS..  trans-148.1149.2178.3-174.10000111.6T351 P352T351-S354 WeakPolarHBondContact CB-O 3.43Å; T351-S354 PolarHBondContact O-N 2.88Å; T351-S354 PolarHBondContact OG1-O 3.35Å; P352-S354 VanDerWaalsContact C-N 3.3Å; P352-S354 PolarHBondContact O-N 2.78Å
355H84.1Confident92Very high184 Ų18448.2 Ų48.285%0.85228%0.277SS*.  trans-120.1101170-69.2-84.4000107.6
356L91Very high91.9Very high38 Ų3852.6 Ų52.620%0.19930%0.295CS..  trans-103.1143.1178-61.4-178.7000110.8L162 Q360 L364 V415L162-L356 HydrophobicContact CD1-CB 4.35Å; L356-Q360 HydrophobicContact CB-CB 4.41Å; L356-Q360 HydrophobicContact CD2-CB 4.21Å; L356-L364 HydrophobicContact CD1-CD2 4.09Å; L356-V415 HydrophobicContact CD1-CB 3.84Å; L356-V415 HydrophobicContact CD1-CG1 3.76Å; L356-V415 HydrophobicContact CD1-CG2 4.35Å
357T93.3Very high91.6Very high30 Ų3053.9 Ų53.918%0.18431%0.309CS..BIsolated β-bridgetrans-77.8165.5165.372.90000110D158 A359 Q360 Y361D158-T357 WeakPolarHBondContact O-CB 3.42Å; D158-T357 WeakPolarHBondContact O-CG2 3.38Å; T357-A359 VanDerWaalsContact C-N 3.3Å; T357-A359 PolarHBondContact O-N 3.48Å; T357-Q360 VanDerWaalsContact N-OE1 3.1Å; T357-Q360 PolarHBondContact O-N 3.26Å; T357-Q360 VanDerWaalsContact OG1-CG 3.27Å; T357-Q360 WeakPolarHBondContact OG1-CG 3.45Å; T357-Q360 PolarHBondContact OG1-N 3.5Å; T357-Q360 VanDerWaalsContact OG1-N 3.17Å; T357-Y361 WeakPolarHBondContact O-CB 3.39Å; T357-Y361 PolarHBondContact O-N 3.28Å
358A93.8Very high91.4Very high0 Ų054.3 Ų54.30%031%0.309CS..Hα-helixtrans-58.6-42.8174.800000111.8L160 L165 F200 L362L160-A358 HydrophobicContact CB-CB 3.76Å; L160-A358 WeakPolarHBondContact O-CB 3.43Å; L160-A358 PolarHBondContact O-N 3.42Å; L165-A358 HydrophobicContact CB-CB 4.07Å; L165-A358 HydrophobicContact CD2-CB 4.05Å; L165-A358 HydrophobicContact CG-CB 4.44Å; F200-A358 HydrophobicContact CE1-CB 4.23Å; F200-A358 HydrophobicContact CZ-CB 3.83Å; A358-L362 WeakPolarHBondContact O-CB 3.49Å; A358-L362 PolarHBondContact O-N 2.87Å
359A94.1Very high91.1Very high23 Ų2353.2 Ų53.219%0.1930%0.302CS..Hα-helixtrans-61-49.4176.200000112.6P157 T357 Y361 L362 Q363P157-A359 HydrophobicContact CB-CB 3.79Å; P157-A359 PolarHBondContact O-N 2.97Å; T357-A359 VanDerWaalsContact C-N 3.3Å; T357-A359 PolarHBondContact O-N 3.48Å; A359-Y361 VanDerWaalsContact C-N 3.34Å; A359-Y361 PolarHBondContact O-N 2.57Å; A359-L362 PolarHBondContact O-N 3.19Å; A359-Q363 WeakPolarHBondContact O-CB 3.2Å; A359-Q363 PolarHBondContact O-N 3.34Å
360Q94.4Very high90.9Very high84 Ų8456.8 Ų56.839%0.39332%0.315SS..Hα-helixtrans-62.3-41.3-179.7-72170.2-13.600112L356 T357 Q363 L364L356-Q360 HydrophobicContact CB-CB 4.41Å; L356-Q360 HydrophobicContact CD2-CB 4.21Å; T357-Q360 VanDerWaalsContact N-OE1 3.1Å; T357-Q360 PolarHBondContact O-N 3.26Å; T357-Q360 VanDerWaalsContact OG1-CG 3.27Å; T357-Q360 WeakPolarHBondContact OG1-CG 3.45Å; T357-Q360 PolarHBondContact OG1-N 3.5Å; T357-Q360 VanDerWaalsContact OG1-N 3.17Å; Q360-Q363 PolarHBondContact O-N 3.16Å; Q360-L364 WeakPolarHBondContact O-CB 3.4Å; Q360-L364 PolarHBondContact O-N 3.35Å
361Y94.4Very high90.7Very high0 Ų056.3 Ų56.30%032%0.315CS..Hα-helixtrans-66.6-40.7177.5172.4-115.9000112.3L162 L165 T357 A359 L364 R365 V398 E401 L402 L413 V415L162-Y361 HydrophobicContact CD2-CD1 3.77Å; L162-Y361 HydrophobicContact CD2-CG 3.8Å; L165-Y361 HydrophobicContact CD2-CD1 4.12Å; T357-Y361 WeakPolarHBondContact O-CB 3.39Å; T357-Y361 PolarHBondContact O-N 3.28Å; A359-Y361 VanDerWaalsContact C-N 3.34Å; A359-Y361 PolarHBondContact O-N 2.57Å; Y361-L364 PolarHBondContact O-N 3.37Å; Y361-R365 HydrophobicContact CD2-CG 4.33Å; Y361-R365 HydrophobicContact CE2-CG 3.85Å; Y361-R365 PolarHBondContact O-N 3.03Å; Y361-V398 HydrophobicContact CD1-CG2 4.5Å; Y361-V398 HydrophobicContact CE1-CB 4.43Å; Y361-V398 HydrophobicContact CE1-CG1 4.09Å; Y361-V398 HydrophobicContact CE1-CG2 3.91Å; Y361-E401 PolarHBondContact OH-OE2 2.56Å; Y361-L402 HydrophobicContact CE1-CD1 4.34Å; Y361-L413 HydrophobicContact CD2-CD1 4.46Å; Y361-L413 HydrophobicContact CE1-CD1 4.21Å; Y361-L413 HydrophobicContact CE2-CD1 3.91Å; Y361-V415 HydrophobicContact CD2-CG1 4.35Å
362L93.8Very high90.4Very high28 Ų2857.3 Ų57.315%0.14733%0.325CS..Hα-helixtrans-62.8-44.6174.8-177.459.5000111.4F200 L204 A358 A359 L364 R365 K366 T394 V398F200-L362 HydrophobicContact CD2-CD2 3.93Å; F200-L362 HydrophobicContact CE2-CB 4.05Å; F200-L362 HydrophobicContact CE2-CD2 3.43Å; F200-L362 VanDerWaalsContact CE2-CD2 3.43Å; F200-L362 HydrophobicContact CE2-CG 4.38Å; F200-L362 HydrophobicContact CZ-CD2 4.22Å; L204-L362 HydrophobicContact CD2-CD1 3.67Å; L204-L362 HydrophobicContact CD2-CD2 4.09Å; L204-L362 HydrophobicContact CG-CD2 4.2Å; A358-L362 WeakPolarHBondContact O-CB 3.49Å; A358-L362 PolarHBondContact O-N 2.87Å; A359-L362 PolarHBondContact O-N 3.19Å; L362-L364 PolarHBondContact O-N 2.92Å; L362-R365 PolarHBondContact O-N 2.77Å; L362-K366 WeakPolarHBondContact O-CB 3.4Å; L362-K366 PolarHBondContact O-N 3.13Å; L362-T394 HydrophobicContact CD1-CG2 3.59Å; L362-V398 HydrophobicContact CD1-CG2 4.1Å
363Q93.6Very high90.4Very high145 Ų14553.7 Ų53.768%0.67830%0.302SS*.Hα-helixtrans-62.8-41.5177.4-172.1177.99.100111.9A359 Q360 K366 G367A359-Q363 WeakPolarHBondContact O-CB 3.2Å; A359-Q363 PolarHBondContact O-N 3.34Å; Q360-Q363 PolarHBondContact O-N 3.16Å; Q363-K366 PolarHBondContact O-N 3.22Å; Q363-G367 PolarHBondContact O-N 3.45Å
364L92.9Very high90.8Very high34 Ų3453 Ų5318%0.17827%0.274CS..Hα-helixtrans-57.4-51.7174.6175.166.4000111L356 Q360 Y361 L362 K366 G367 Q368 V415L356-L364 HydrophobicContact CD1-CD2 4.09Å; Q360-L364 WeakPolarHBondContact O-CB 3.4Å; Q360-L364 PolarHBondContact O-N 3.35Å; Y361-L364 PolarHBondContact O-N 3.37Å; L362-L364 PolarHBondContact O-N 2.92Å; L364-K366 VanDerWaalsContact C-N 3.32Å; L364-K366 PolarHBondContact O-N 3.42Å; L364-G367 PolarHBondContact O-N 3.14Å; L364-Q368 WeakPolarHBondContact O-CG 3.48Å; L364-Q368 PolarHBondContact O-N 3.34Å; L364-V415 HydrophobicContact CD2-CB 4.06Å; L364-V415 HydrophobicContact CD2-CG1 4.48Å
365R93.3Very high90.8Very high5 Ų558.9 Ų58.92%0.01930%0.299CS..Hα-helixtrans-65.8-34.6179.7-70.5-55.3-168.5-134-2.5112.5Y361 L362 Q368 M369 T394 T397 V398 E401 D414Y361-R365 HydrophobicContact CD2-CG 4.33Å; Y361-R365 HydrophobicContact CE2-CG 3.85Å; Y361-R365 PolarHBondContact O-N 3.03Å; L362-R365 PolarHBondContact O-N 2.77Å; R365-Q368 PolarHBondContact O-N 3.01Å; R365-M369 WeakPolarHBondContact O-CB 3.19Å; R365-M369 WeakPolarHBondContact O-CG 3.02Å; R365-M369 PolarHBondContact O-N 3.3Å; R365-T394 HydrophobicContact CB-CG2 3.94Å; R365-T397 HydrophobicContact CG-CG2 4.3Å; R365-V398 HydrophobicContact CB-CG2 4.36Å; R365-V398 HydrophobicContact CG-CG2 4.31Å; R365-E401 IonicContact CZ-OE1 2.87Å; R365-E401 IonicContact CZ-OE2 3.61Å; R365-E401 VanDerWaalsContact CZ-OE2 3.27Å; R365-E401 IonicContact NE-OE1 3.73Å; R365-E401 IonicContact NE-OE2 3.4Å; R365-E401 PolarHBondContact NE-OE2 2.96Å; R365-E401 VanDerWaalsContact NH2-CD 3.25Å; R365-E401 IonicContact NH2-OE1 2.85Å; R365-E401 PolarHBondContact NH2-OE1 3.17Å; R365-E401 IonicContact NH2-OE2 3.53Å; R365-E401 PolarHBondContact NH2-OE2 3.42Å; R365-D414 PolarHBondContact NH1-O 2.79Å; R365-D414 PolarHBondContact NH2-O 2.76Å
366K92.9Very high90.8Very high109 Ų10955.7 Ų55.747%0.47428%0.283SS..Hα-helixtrans-62.6-45.9173.6-170.3178.9178.7-179.20111.6L362 Q363 L364 M369 K370 I390 T394L362-K366 WeakPolarHBondContact O-CB 3.4Å; L362-K366 PolarHBondContact O-N 3.13Å; Q363-K366 PolarHBondContact O-N 3.22Å; L364-K366 VanDerWaalsContact C-N 3.32Å; L364-K366 PolarHBondContact O-N 3.42Å; K366-M369 PolarHBondContact O-N 3.47Å; K366-K370 PolarHBondContact O-N 3Å; K366-I390 HydrophobicContact CG-CG2 4.07Å; K366-T394 WeakPolarHBondContact CA-OG1 3.25Å; K366-T394 HydrophobicContact CB-CG2 4.02Å
367G91.6Very high90.4Very high29 Ų2957.6 Ų57.630%0.29929%0.288SS..Hα-helixtrans-58.2-49.6176.100000111.9Q363 L364 M369 K370 E371Q363-G367 PolarHBondContact O-N 3.45Å; L364-G367 PolarHBondContact O-N 3.14Å; G367-M369 VanDerWaalsContact C-N 3.32Å; G367-M369 PolarHBondContact O-N 3.35Å; G367-K370 WeakPolarHBondContact O-CB 3.5Å; G367-K370 PolarHBondContact O-N 3.48Å; G367-K370 VanDerWaalsContact O-N 3.15Å; G367-E371 WeakPolarHBondContact O-CG 3.47Å; G367-E371 PolarHBondContact O-N 3.32Å
368Q90.6Very high89.9Confident13 Ų1357.8 Ų57.86%0.06130%0.296CS..Hα-helixtrans-63.4-35.5178.7-68179.7-29.700113.3L364 R365 A372 Q416 R417 G419 V421L364-Q368 WeakPolarHBondContact O-CG 3.48Å; L364-Q368 PolarHBondContact O-N 3.34Å; R365-Q368 PolarHBondContact O-N 3.01Å; Q368-A372 WeakPolarHBondContact O-CB 3.49Å; Q368-A372 PolarHBondContact O-N 3.07Å; Q368-Q416 PolarHBondContact NE2-O 2.86Å; Q368-R417 PolarHBondContact NE2-O 2.9Å; Q368-G419 PolarHBondContact NE2-O 2.73Å; Q368-V421 HydrophobicContact CB-CG2 3.88Å
369M90.3Very high88.9Confident11 Ų1165.1 Ų65.15%0.05434%0.335CS..Hα-helixtrans-67.9-38.8174.4-78.5-62.69700112.6R365 K366 G367 S373 I390 M393 V421 V430R365-M369 WeakPolarHBondContact O-CB 3.19Å; R365-M369 WeakPolarHBondContact O-CG 3.02Å; R365-M369 PolarHBondContact O-N 3.3Å; K366-M369 PolarHBondContact O-N 3.47Å; G367-M369 VanDerWaalsContact C-N 3.32Å; G367-M369 PolarHBondContact O-N 3.35Å; M369-S373 WeakPolarHBondContact O-CB 3.32Å; M369-S373 PolarHBondContact O-N 3.02Å; M369-S373 PolarHBondContact O-OG 3.49Å; M369-I390 HydrophobicContact CB-CG2 4.11Å; M369-M393 HydrophobicContact CG-CB 4.38Å; M369-M393 HydrophobicContact SD-CB 3.9Å; M369-V421 HydrophobicContact CE-CB 3.36Å; M369-V421 HydrophobicContact CE-CG1 3.76Å; M369-V421 HydrophobicContact CE-CG2 3.23Å; M369-V430 HydrophobicContact CE-CG2 4.09Å; M369-V430 HydrophobicContact SD-CG2 3.95Å
370K90Very high87.9Confident98 Ų9872.1 Ų72.143%0.42636%0.361SS..Hα-helixtrans-64.4-52.8175.4-177.9170.5175.11710110.9K366 G367 A372 S373 E374 I390K366-K370 PolarHBondContact O-N 3Å; G367-K370 WeakPolarHBondContact O-CB 3.5Å; G367-K370 PolarHBondContact O-N 3.48Å; G367-K370 VanDerWaalsContact O-N 3.15Å; K370-A372 VanDerWaalsContact C-N 3.33Å; K370-A372 PolarHBondContact O-N 3.4Å; K370-S373 WeakPolarHBondContact O-CB 3.3Å; K370-S373 PolarHBondContact O-N 3.47Å; K370-E374 WeakPolarHBondContact CE-OE1 3.27Å; K370-E374 HydrophobicContact CG-CG 4.48Å; K370-E374 WeakPolarHBondContact CG-OE1 3.3Å; K370-E374 IonicContact NZ-OE1 2.98Å; K370-E374 WeakPolarHBondContact O-CG 3.35Å; K370-E374 PolarHBondContact O-N 3.44Å; K370-I390 HydrophobicContact CB-CD1 4.14Å; K370-I390 HydrophobicContact CB-CG2 4.5Å; K370-I390 HydrophobicContact CG-CD1 4.15Å
371E88.8Confident86.9Confident105 Ų10568.8 Ų68.849%0.49135%0.346SS..Hα-helixtrans-56.6-44.6177.7-70.6170.4-16900111.9G367 S373 E374 M375G367-E371 WeakPolarHBondContact O-CG 3.47Å; G367-E371 PolarHBondContact O-N 3.32Å; E371-S373 VanDerWaalsContact C-N 3.3Å; E371-S373 PolarHBondContact O-N 3.35Å; E371-E374 PolarHBondContact O-N 2.79Å; E371-M375 WeakPolarHBondContact O-CG 3.36Å; E371-M375 PolarHBondContact O-N 3.22Å
372A86.2Confident85.8Confident43 Ų4376.4 Ų76.436%0.35538%0.382SS..Hα-helixtrans-64.1-34.7177.500000113.2Q368 K370 M375 K376Q368-A372 WeakPolarHBondContact O-CB 3.49Å; Q368-A372 PolarHBondContact O-N 3.07Å; K370-A372 VanDerWaalsContact C-N 3.33Å; K370-A372 PolarHBondContact O-N 3.4Å; A372-M375 HydrophobicContact CB-CE 4.5Å; A372-K376 PolarHBondContact O-N 2.93Å
373S85.9Confident85.3Confident19 Ų1977.2 Ų77.213%0.13340%0.397CS..Hα-helixtrans-72.1-44.8177.7-57.90000110.8M369 K370 E371 M375 K376 Y377M369-S373 WeakPolarHBondContact O-CB 3.32Å; M369-S373 PolarHBondContact O-N 3.02Å; M369-S373 PolarHBondContact O-OG 3.49Å; K370-S373 WeakPolarHBondContact O-CB 3.3Å; K370-S373 PolarHBondContact O-N 3.47Å; E371-S373 VanDerWaalsContact C-N 3.3Å; E371-S373 PolarHBondContact O-N 3.35Å; S373-M375 VanDerWaalsContact C-N 3.35Å; S373-M375 PolarHBondContact O-N 3.09Å; S373-K376 PolarHBondContact O-N 3.18Å; S373-K376 VanDerWaalsContact O-N 3.12Å; S373-Y377 WeakPolarHBondContact O-CB 3.39Å; S373-Y377 PolarHBondContact O-N 3.4Å
374E87.6Confident84.8Confident78 Ų7876.4 Ų76.436%0.36439%0.393SS..Hα-helixtrans-60.7-41.7176.4-71.3168.6173.400111.5K370 E371 K376 G378 V381K370-E374 WeakPolarHBondContact CE-OE1 3.27Å; K370-E374 HydrophobicContact CG-CG 4.48Å; K370-E374 WeakPolarHBondContact CG-OE1 3.3Å; K370-E374 IonicContact NZ-OE1 2.98Å; K370-E374 WeakPolarHBondContact O-CG 3.35Å; K370-E374 PolarHBondContact O-N 3.44Å; E371-E374 PolarHBondContact O-N 2.79Å; E374-K376 VanDerWaalsContact C-N 3.28Å; E374-K376 PolarHBondContact O-N 2.59Å; E374-G378 WeakPolarHBondContact O-CA 3.28Å; E374-G378 PolarHBondContact O-N 2.82Å; E374-V381 HydrophobicContact CG-CB 4.15Å; E374-V381 HydrophobicContact CG-CG1 4.33Å
375M85.5Confident84.5Confident160 Ų16079 Ų7979%0.78841%0.411SS*.Hα-helixtrans-61.9-32.6174.6-74.9-170.5-6800113.6E371 A372 S373E371-M375 WeakPolarHBondContact O-CG 3.36Å; E371-M375 PolarHBondContact O-N 3.22Å; A372-M375 HydrophobicContact CB-CE 4.5Å; S373-M375 VanDerWaalsContact C-N 3.35Å; S373-M375 PolarHBondContact O-N 3.09Å
376K83.8Confident84.3Confident117 Ų11780.8 Ų80.851%0.50942%0.418SS..Hα-helixtrans-87-36.3-177.2-174178.3172.9-163.20112.7A372 S373 E374 L573A372-K376 PolarHBondContact O-N 2.93Å; S373-K376 PolarHBondContact O-N 3.18Å; S373-K376 VanDerWaalsContact O-N 3.12Å; E374-K376 VanDerWaalsContact C-N 3.28Å; E374-K376 PolarHBondContact O-N 2.59Å; K376-L573 PolarHBondContact NZ-OXT 2.68Å
377Y82.9Confident84.1Confident79 Ų7979.2 Ų79.231%0.3141%0.414SS..Hα-helixtrans-115.2-6.9-169.3-66.7-65.6000114.6S373 W386 L573S373-Y377 WeakPolarHBondContact O-CB 3.39Å; S373-Y377 PolarHBondContact O-N 3.4Å; Y377-W386 HydrophobicContact CD1-CH2 4.33Å; Y377-W386 AromaticContact CD2-CH2 3.29Å; Y377-W386 HydrophobicContact CD2-CH2 3.29Å; Y377-W386 HydrophobicContact CD2-CZ2 4.09Å; Y377-W386 AromaticContact CD2-CZ3 3.91Å; Y377-W386 HydrophobicContact CD2-CZ3 3.91Å; Y377-W386 AromaticContact CE2-CH2 3.58Å; Y377-W386 HydrophobicContact CE2-CH2 3.58Å; Y377-W386 HydrophobicContact CE2-CZ3 4.18Å; Y377-W386 AromaticContact CG-CH2 3.7Å; Y377-W386 HydrophobicContact CG-CH2 3.7Å; Y377-W386 HydrophobicContact CG-CZ2 4.04Å; Y377-L573 PolarHBondContact OH-O 2.91Å; Y377-L573 PolarHBondContact OH-OXT 2.74Å
378G82.8Confident84Confident34 Ų3481.5 Ų81.535%0.35142%0.42SS..G310 helixtrans64.7-153.1-177.300000112.4E374 K380 V381E374-G378 WeakPolarHBondContact O-CA 3.28Å; E374-G378 PolarHBondContact O-N 2.82Å; G378-K380 PolarHBondContact O-N 3.26Å; G378-V381 WeakPolarHBondContact O-CG2 3.48Å; G378-V381 PolarHBondContact O-N 2.89Å
379D71.9Confident84Confident153 Ų15381.6 Ų81.682%0.81842%0.421SS*.G310 helixtrans-66.22.7-177-51.2-29.9000114.2V381D379-V381 PolarHBondContact O-N 2.84Å
380K72.5Confident84.1Confident171 Ų17181.2 Ų81.274%0.74342%0.419SS*.G310 helixtrans-77.1-6.5174.2-62.9-178.7-178.61780113G378 E382 W386G378-K380 PolarHBondContact O-N 3.26Å; K380-E382 PolarHBondContact O-N 3.4Å; K380-W386 PolarHBondContact O-NE1 3.33Å
381V73.9Confident84.2Confident13 Ų1380.9 Ų80.98%0.07942%0.417CS..  trans-83.459.9178.4-171.10000110E374 G378 D379 W386 I390E374-V381 HydrophobicContact CG-CB 4.15Å; E374-V381 HydrophobicContact CG-CG1 4.33Å; G378-V381 WeakPolarHBondContact O-CG2 3.48Å; G378-V381 PolarHBondContact O-N 2.89Å; D379-V381 PolarHBondContact O-N 2.84Å; V381-W386 HydrophobicContact CB-CD2 4.34Å; V381-W386 HydrophobicContact CB-CG 4.41Å; V381-W386 HydrophobicContact CG1-CB 4.06Å; V381-W386 HydrophobicContact CG1-CD2 3.93Å; V381-W386 HydrophobicContact CG1-CE3 3.97Å; V381-W386 HydrophobicContact CG1-CG 4Å; V381-W386 HydrophobicContact CG2-CD2 4.3Å; V381-W386 HydrophobicContact CG2-CE3 4.41Å; V381-W386 HydrophobicContact CG2-CZ2 4.4Å; V381-I390 HydrophobicContact CG1-CD1 4.01Å
382E71.2Confident84.5Confident160 Ų16077 Ų7775%0.74840%0.401SS*.  trans-130.7146.4177.3-67.1-171.4166.800110.8K380K380-E382 PolarHBondContact O-N 3.4Å
383G82.4Confident84.8Confident45 Ų4575.2 Ų75.246%0.46439%0.385SS..SBendtrans97.1169.1176.100000115.4T385 W386 D387G383-T385 VanDerWaalsContact C-N 3.28Å; G383-T385 PolarHBondContact O-N 3.36Å; G383-W386 PolarHBondContact O-N 2.89Å; G383-D387 PolarHBondContact O-N 3.01Å
384Q84.3Confident85.2Confident128 Ų12874.5 Ų74.560%0.59838%0.38SS*.Hα-helixtrans-56.1-38.5-170.3-17161.348.300113.5W386 D387 D388Q384-W386 VanDerWaalsContact C-N 3.3Å; Q384-W386 PolarHBondContact O-N 3.43Å; Q384-D387 PolarHBondContact O-N 3.34Å; Q384-D388 PolarHBondContact NE2-OD1 3.41Å; Q384-D388 PolarHBondContact O-N 3.06Å
385T86.8Confident85.5Confident90 Ų9071.2 Ų71.255%0.55237%0.366SS*.Hα-helixtrans-60.1-40.1179.4-49.80000112.2G383 I389G383-T385 VanDerWaalsContact C-N 3.28Å; G383-T385 PolarHBondContact O-N 3.36Å; T385-I389 HydrophobicContact CG2-CD1 4.28Å; T385-I389 VanDerWaalsContact O-CG1 3.26Å; T385-I389 WeakPolarHBondContact O-CG1 3.04Å; T385-I389 PolarHBondContact O-N 2.79Å
386W87.6Confident86Confident42 Ų4263.6 Ų63.616%0.15933%0.328CS..Hα-helixtrans-75-37.5178-83.8110.6000112Y377 K380 V381 G383 Q384 D388 I389 I390Y377-W386 HydrophobicContact CD1-CH2 4.33Å; Y377-W386 AromaticContact CD2-CH2 3.29Å; Y377-W386 HydrophobicContact CD2-CH2 3.29Å; Y377-W386 HydrophobicContact CD2-CZ2 4.09Å; Y377-W386 AromaticContact CD2-CZ3 3.91Å; Y377-W386 HydrophobicContact CD2-CZ3 3.91Å; Y377-W386 AromaticContact CE2-CH2 3.58Å; Y377-W386 HydrophobicContact CE2-CH2 3.58Å; Y377-W386 HydrophobicContact CE2-CZ3 4.18Å; Y377-W386 AromaticContact CG-CH2 3.7Å; Y377-W386 HydrophobicContact CG-CH2 3.7Å; Y377-W386 HydrophobicContact CG-CZ2 4.04Å; K380-W386 PolarHBondContact O-NE1 3.33Å; V381-W386 HydrophobicContact CB-CD2 4.34Å; V381-W386 HydrophobicContact CB-CG 4.41Å; V381-W386 HydrophobicContact CG1-CB 4.06Å; V381-W386 HydrophobicContact CG1-CD2 3.93Å; V381-W386 HydrophobicContact CG1-CE3 3.97Å; V381-W386 HydrophobicContact CG1-CG 4Å; V381-W386 HydrophobicContact CG2-CD2 4.3Å; V381-W386 HydrophobicContact CG2-CE3 4.41Å; V381-W386 HydrophobicContact CG2-CZ2 4.4Å; G383-W386 PolarHBondContact O-N 2.89Å; Q384-W386 VanDerWaalsContact C-N 3.3Å; Q384-W386 PolarHBondContact O-N 3.43Å; W386-D388 VanDerWaalsContact C-N 3.28Å; W386-D388 PolarHBondContact O-N 3.14Å; W386-I389 HydrophobicContact CE3-CB 4.39Å; W386-I389 HydrophobicContact CE3-CD1 4.23Å; W386-I389 HydrophobicContact CE3-CG2 4.3Å; W386-I389 HydrophobicContact CZ3-CD1 4.46Å; W386-I389 HydrophobicContact CZ3-CG2 4.32Å; W386-I389 PolarHBondContact O-N 2.93Å; W386-I390 WeakPolarHBondContact O-CB 3.2Å; W386-I390 VanDerWaalsContact O-CG1 3.24Å; W386-I390 WeakPolarHBondContact O-CG1 3.47Å; W386-I390 PolarHBondContact O-N 3.39Å
387D88.9Confident86.5Confident75 Ų7558.1 Ų58.140%0.40130%0.304SS..Hα-helixtrans-59.6-41173.1-75-34.6000111.6G383 Q384 I390 K391G383-D387 PolarHBondContact O-N 3.01Å; Q384-D387 PolarHBondContact O-N 3.34Å; D387-I390 PolarHBondContact O-N 2.84Å; D387-K391 VanDerWaalsContact O-CB 3.28Å; D387-K391 WeakPolarHBondContact O-CB 3.49Å; D387-K391 PolarHBondContact O-N 2.9Å
388D90.4Very high87.1Confident78 Ų7854.3 Ų54.342%0.41729%0.29SS..Hα-helixtrans-66.5-43.9175.8-66.6-22.4000111.5Q384 W386 K391 V392Q384-D388 PolarHBondContact NE2-OD1 3.41Å; Q384-D388 PolarHBondContact O-N 3.06Å; W386-D388 VanDerWaalsContact C-N 3.28Å; W386-D388 PolarHBondContact O-N 3.14Å; D388-K391 WeakPolarHBondContact O-CB 3.08Å; D388-K391 PolarHBondContact O-N 3.13Å; D388-V392 WeakPolarHBondContact O-CG2 3.41Å; D388-V392 PolarHBondContact O-N 3.43Å
389I90.9Very high87.7Confident14 Ų1452.8 Ų52.87%0.07227%0.273CS..Hα-helixtrans-60.2-49.3174.7-71165.7000110.3T385 W386 K391 V392 M393 L573T385-I389 HydrophobicContact CG2-CD1 4.28Å; T385-I389 VanDerWaalsContact O-CG1 3.26Å; T385-I389 WeakPolarHBondContact O-CG1 3.04Å; T385-I389 PolarHBondContact O-N 2.79Å; W386-I389 HydrophobicContact CE3-CB 4.39Å; W386-I389 HydrophobicContact CE3-CD1 4.23Å; W386-I389 HydrophobicContact CE3-CG2 4.3Å; W386-I389 HydrophobicContact CZ3-CD1 4.46Å; W386-I389 HydrophobicContact CZ3-CG2 4.32Å; W386-I389 PolarHBondContact O-N 2.93Å; I389-K391 VanDerWaalsContact C-N 3.29Å; I389-K391 PolarHBondContact O-N 3.14Å; I389-V392 PolarHBondContact O-N 2.84Å; I389-M393 HydrophobicContact CG2-CG 4.09Å; I389-M393 WeakPolarHBondContact O-CB 3.36Å; I389-M393 WeakPolarHBondContact O-CG 3.5Å; I389-M393 PolarHBondContact O-N 2.96Å; I389-L573 HydrophobicContact CG2-CD1 3.59Å
390I91.6Very high88.8Confident3 Ų345.5 Ų45.52%0.01523%0.234CC..Hα-helixtrans-60.3-41.7179.3-70.5164.4000110.1K366 M369 K370 V381 W386 D387 M393 T394K366-I390 HydrophobicContact CG-CG2 4.07Å; M369-I390 HydrophobicContact CB-CG2 4.11Å; K370-I390 HydrophobicContact CB-CD1 4.14Å; K370-I390 HydrophobicContact CB-CG2 4.5Å; K370-I390 HydrophobicContact CG-CD1 4.15Å; V381-I390 HydrophobicContact CG1-CD1 4.01Å; W386-I390 WeakPolarHBondContact O-CB 3.2Å; W386-I390 VanDerWaalsContact O-CG1 3.24Å; W386-I390 WeakPolarHBondContact O-CG1 3.47Å; W386-I390 PolarHBondContact O-N 3.39Å; D387-I390 PolarHBondContact O-N 2.84Å; I390-M393 PolarHBondContact O-N 2.89Å; I390-T394 VanDerWaalsContact O-CB 3.25Å; I390-T394 WeakPolarHBondContact O-CB 3.42Å; I390-T394 PolarHBondContact O-N 3.18Å; I390-T394 PolarHBondContact O-OG1 3.28Å
391K92.8Very high89.9Confident91 Ų9137.5 Ų37.540%0.39620%0.2SC..Hα-helixtrans-58.9-49.7175.5-176.6-176.7177.6-175.70111.2A203 D387 D388 I389 T394 S395A203-K391 WeakPolarHBondContact O-CE 3.25Å; D387-K391 VanDerWaalsContact O-CB 3.28Å; D387-K391 WeakPolarHBondContact O-CB 3.49Å; D387-K391 PolarHBondContact O-N 2.9Å; D388-K391 WeakPolarHBondContact O-CB 3.08Å; D388-K391 PolarHBondContact O-N 3.13Å; I389-K391 VanDerWaalsContact C-N 3.29Å; I389-K391 PolarHBondContact O-N 3.14Å; K391-T394 PolarHBondContact O-N 2.9Å; K391-S395 VanDerWaalsContact O-CB 3.3Å; K391-S395 WeakPolarHBondContact O-CB 3.48Å; K391-S395 PolarHBondContact O-N 3.11Å
392V93.9Very high90.9Very high23 Ų2336.9 Ų36.914%0.13920%0.196CC..Hα-helixtrans-63.3-43.5178.8173.30000111.5D388 I389 T394 S395 A396 M433 P568 I570D388-V392 WeakPolarHBondContact O-CG2 3.41Å; D388-V392 PolarHBondContact O-N 3.43Å; I389-V392 PolarHBondContact O-N 2.84Å; V392-T394 PolarHBondContact O-N 3.05Å; V392-S395 WeakPolarHBondContact O-CB 3.23Å; V392-S395 PolarHBondContact O-N 3.03Å; V392-A396 WeakPolarHBondContact O-CB 3.12Å; V392-A396 PolarHBondContact O-N 3.14Å; V392-M433 HydrophobicContact CG1-CE 3.64Å; V392-P568 HydrophobicContact CG1-CG 4.18Å; V392-P568 HydrophobicContact CG2-CG 3.65Å; V392-I570 HydrophobicContact CB-CG2 4.29Å; V392-I570 HydrophobicContact CG1-CG2 3.79Å
393M92.8Very high92.1Very high7 Ų729.3 Ų29.33%0.03416%0.16CC..Hα-helixtrans-67.5-37.1179.6-67.3-58.6-73.700112.8M369 I389 I390 T397 V430 M433 I570 L573M369-M393 HydrophobicContact CG-CB 4.38Å; M369-M393 HydrophobicContact SD-CB 3.9Å; I389-M393 HydrophobicContact CG2-CG 4.09Å; I389-M393 WeakPolarHBondContact O-CB 3.36Å; I389-M393 WeakPolarHBondContact O-CG 3.5Å; I389-M393 PolarHBondContact O-N 2.96Å; I390-M393 PolarHBondContact O-N 2.89Å; M393-T397 WeakPolarHBondContact O-CB 3.42Å; M393-T397 PolarHBondContact O-N 3.18Å; M393-T397 PolarHBondContact O-OG1 3.28Å; M393-V430 HydrophobicContact CE-CB 3.8Å; M393-V430 HydrophobicContact CE-CG1 3.47Å; M393-V430 VanDerWaalsContact CE-CG1 3.47Å; M393-V430 HydrophobicContact CE-CG2 3.93Å; M393-M433 HydrophobicContact CE-CB 4.06Å; M393-M433 HydrophobicContact SD-CB 3.46Å; M393-M433 WeakPolarHBondContact SD-CB 3.49Å; M393-M433 HydrophobicContact SD-CG 3.86Å; M393-I570 HydrophobicContact SD-CD1 3.87Å; M393-L573 HydrophobicContact CE-CD1 3.87Å; M393-L573 HydrophobicContact CE-CD2 3.56Å; M393-L573 HydrophobicContact CE-CG 4.37Å; M393-L573 HydrophobicContact CG-CD1 3.71Å; M393-L573 HydrophobicContact SD-CD1 3.59Å; M393-L573 VanDerWaalsContact SD-CD1 3.59Å; M393-L573 HydrophobicContact SD-CD2 4.26Å
394T94.1Very high92.7Very high4 Ų427.3 Ų27.33%0.02514%0.139CC..Hα-helixtrans-63-48172.7-58.50000110.3L362 R365 K366 I390 K391 V392 A396 T397 V398L362-T394 HydrophobicContact CD1-CG2 3.59Å; R365-T394 HydrophobicContact CB-CG2 3.94Å; K366-T394 WeakPolarHBondContact CA-OG1 3.25Å; K366-T394 HydrophobicContact CB-CG2 4.02Å; I390-T394 VanDerWaalsContact O-CB 3.25Å; I390-T394 WeakPolarHBondContact O-CB 3.42Å; I390-T394 PolarHBondContact O-N 3.18Å; I390-T394 PolarHBondContact O-OG1 3.28Å; K391-T394 PolarHBondContact O-N 2.9Å; V392-T394 PolarHBondContact O-N 3.05Å; T394-A396 PolarHBondContact O-N 3.32Å; T394-T397 WeakPolarHBondContact O-CB 3.47Å; T394-T397 PolarHBondContact O-N 3.15Å; T394-V398 WeakPolarHBondContact O-CG2 3.47Å; T394-V398 PolarHBondContact O-N 3.15Å
395S95.1Very high93.2Very high9 Ų923 Ų236%0.06312%0.121CC..Hα-helixtrans-61-43.9178.4-172.50000112.4L204 K391 V392 T397 V398 R399L204-S395 PolarHBondContact O-OG 2.81Å; K391-S395 VanDerWaalsContact O-CB 3.3Å; K391-S395 WeakPolarHBondContact O-CB 3.48Å; K391-S395 PolarHBondContact O-N 3.11Å; V392-S395 WeakPolarHBondContact O-CB 3.23Å; V392-S395 PolarHBondContact O-N 3.03Å; S395-T397 VanDerWaalsContact C-N 3.35Å; S395-T397 PolarHBondContact O-N 3.37Å; S395-V398 PolarHBondContact O-N 3.44Å; S395-R399 PolarHBondContact O-N 3.23Å; S395-R399 PolarHBondContact OG-NH1 3.41Å
396A95.2Very high93.5Very high0 Ų020.5 Ų20.50%011%0.106CC..Hα-helixtrans-61-43.3173.800000111.6V392 T394 R399 F400 M433 L567V392-A396 WeakPolarHBondContact O-CB 3.12Å; V392-A396 PolarHBondContact O-N 3.14Å; T394-A396 PolarHBondContact O-N 3.32Å; A396-R399 PolarHBondContact O-N 3.04Å; A396-F400 VanDerWaalsContact O-CD2 3.25Å; A396-F400 WeakPolarHBondContact O-CD2 3.36Å; A396-F400 PolarHBondContact O-N 3.27Å; A396-M433 HydrophobicContact CB-CG 3.71Å; A396-M433 HydrophobicContact CB-SD 4.35Å; A396-L567 HydrophobicContact CB-CD1 3.89Å; A396-L567 HydrophobicContact CB-CD2 3.98Å
397T94.6Very high93.9Very high1 Ų118.5 Ų18.51%0.00610%0.099CC..Hα-helixtrans-58-54.5176.3-62.10000110.9R365 M393 T394 S395 R399 F400 E401 V421 V430R365-T397 HydrophobicContact CG-CG2 4.3Å; M393-T397 WeakPolarHBondContact O-CB 3.42Å; M393-T397 PolarHBondContact O-N 3.18Å; M393-T397 PolarHBondContact O-OG1 3.28Å; T394-T397 WeakPolarHBondContact O-CB 3.47Å; T394-T397 PolarHBondContact O-N 3.15Å; S395-T397 VanDerWaalsContact C-N 3.35Å; S395-T397 PolarHBondContact O-N 3.37Å; T397-R399 VanDerWaalsContact C-N 3.33Å; T397-R399 PolarHBondContact O-N 3.35Å; T397-F400 PolarHBondContact O-N 3.39Å; T397-E401 HydrophobicContact CG2-CG 4.32Å; T397-E401 WeakPolarHBondContact O-CG 3.4Å; T397-E401 PolarHBondContact O-N 3.43Å; T397-V421 HydrophobicContact CG2-CG1 3.36Å; T397-V421 HydrophobicContact CG2-CG2 4.37Å; T397-V430 WeakPolarHBondContact OG1-CG2 3.29Å
398V95.2Very high94.2Very high0 Ų018.4 Ų18.40%010%0.101CC..Hα-helixtrans-57.1-45.6-178.9168.20000111.4L165 L169 L204 Y361 L362 R365 T394 S395 E401 L402L165-V398 HydrophobicContact CD2-CG1 4.36Å; L169-V398 HydrophobicContact CD1-CG1 3.87Å; L204-V398 HydrophobicContact CD2-CG1 4.39Å; Y361-V398 HydrophobicContact CD1-CG2 4.5Å; Y361-V398 HydrophobicContact CE1-CB 4.43Å; Y361-V398 HydrophobicContact CE1-CG1 4.09Å; Y361-V398 HydrophobicContact CE1-CG2 3.91Å; L362-V398 HydrophobicContact CD1-CG2 4.1Å; R365-V398 HydrophobicContact CB-CG2 4.36Å; R365-V398 HydrophobicContact CG-CG2 4.31Å; T394-V398 WeakPolarHBondContact O-CG2 3.47Å; T394-V398 PolarHBondContact O-N 3.15Å; S395-V398 PolarHBondContact O-N 3.44Å; V398-E401 PolarHBondContact O-N 3.47Å; V398-L402 HydrophobicContact CG1-CD1 3.93Å; V398-L402 WeakPolarHBondContact O-CB 3.46Å; V398-L402 WeakPolarHBondContact O-CG 3.47Å; V398-L402 PolarHBondContact O-N 2.89Å; V398-L402 VanDerWaalsContact O-N 3.12Å
399R95.9Very high94.4Very high1 Ų116.9 Ų16.90%0.00410%0.096CC..Hα-helixtrans-63.7-48.1178.3-77.1-170.3170.394.5-13.2112.5L169 D172 L204 I206 S395 A396 T397 E401 L402 L403 L565L169-R399 HydrophobicContact CD2-CG 4.08Å; D172-R399 IonicContact OD2-CZ 2.67Å; D172-R399 IonicContact OD2-NH2 2.93Å; D172-R399 PolarHBondContact OD2-NH2 3.32Å; L204-R399 PolarHBondContact O-NH1 2.7Å; L204-R399 PolarHBondContact O-NH2 2.91Å; I206-R399 VanDerWaalsContact CG1-NH2 3.29Å; S395-R399 PolarHBondContact O-N 3.23Å; S395-R399 PolarHBondContact OG-NH1 3.41Å; A396-R399 PolarHBondContact O-N 3.04Å; T397-R399 VanDerWaalsContact C-N 3.33Å; T397-R399 PolarHBondContact O-N 3.35Å; R399-E401 VanDerWaalsContact C-N 3.32Å; R399-E401 PolarHBondContact O-N 3.39Å; R399-L402 PolarHBondContact O-N 3.14Å; R399-L403 HydrophobicContact CB-CD1 4.14Å; R399-L403 HydrophobicContact CG-CD1 4.22Å; R399-L403 WeakPolarHBondContact O-CA 3.22Å; R399-L403 WeakPolarHBondContact O-CB 3.25Å; R399-L403 VanDerWaalsContact O-CG 3.24Å; R399-L403 WeakPolarHBondContact O-CG 3.47Å; R399-L403 PolarHBondContact O-N 2.87Å; R399-L565 WeakPolarHBondContact CD-O 3.05Å; R399-L565 PolarHBondContact NE-O 2.88Å
400F95.6Very high94.6Very high0 Ų019.5 Ų19.50%011%0.114CC..Hα-helixtrans-68.5-30.4179.9-84.4-100.5000112.8A396 T397 S404 G429 V432 C513 L516 V517 L565 L567A396-F400 VanDerWaalsContact O-CD2 3.25Å; A396-F400 WeakPolarHBondContact O-CD2 3.36Å; A396-F400 PolarHBondContact O-N 3.27Å; T397-F400 PolarHBondContact O-N 3.39Å; F400-S404 WeakPolarHBondContact O-CB 3.11Å; F400-S404 PolarHBondContact O-N 3.23Å; F400-S404 PolarHBondContact O-OG 2.96Å; F400-G429 VanDerWaalsContact CD2-CA 3.41Å; F400-G429 VanDerWaalsContact CG-CA 3.4Å; F400-V432 HydrophobicContact CE1-CG2 3.87Å; F400-V432 HydrophobicContact CZ-CB 4.13Å; F400-V432 HydrophobicContact CZ-CG1 4.15Å; F400-V432 HydrophobicContact CZ-CG2 3.86Å; F400-C513 HydrophobicContact CD1-CB 3.97Å; F400-C513 HydrophobicContact CE1-CB 3.89Å; F400-L516 HydrophobicContact CE1-CB 4.28Å; F400-L516 HydrophobicContact CZ-CB 4.07Å; F400-L516 HydrophobicContact CZ-CD1 3.87Å; F400-V517 HydrophobicContact CD1-CG2 4.01Å; F400-V517 HydrophobicContact CE1-CG2 3.82Å; F400-L565 HydrophobicContact CE2-CD1 4.04Å; F400-L565 HydrophobicContact CZ-CD1 4.25Å; F400-L567 HydrophobicContact CD2-CD1 4.47Å; F400-L567 HydrophobicContact CE2-CD1 4.01Å
401E94.7Very high94.8Very high4 Ų419.3 Ų19.32%0.01911%0.113CC..Hα-helixtrans-70-36.1175.1-68.5-163132.100112.8Y361 R365 T397 V398 R399 V411 L413 R427Y361-E401 PolarHBondContact OH-OE2 2.56Å; R365-E401 IonicContact CZ-OE1 2.87Å; R365-E401 IonicContact CZ-OE2 3.61Å; R365-E401 VanDerWaalsContact CZ-OE2 3.27Å; R365-E401 IonicContact NE-OE1 3.73Å; R365-E401 IonicContact NE-OE2 3.4Å; R365-E401 PolarHBondContact NE-OE2 2.96Å; R365-E401 VanDerWaalsContact NH2-CD 3.25Å; R365-E401 IonicContact NH2-OE1 2.85Å; R365-E401 PolarHBondContact NH2-OE1 3.17Å; R365-E401 IonicContact NH2-OE2 3.53Å; R365-E401 PolarHBondContact NH2-OE2 3.42Å; T397-E401 HydrophobicContact CG2-CG 4.32Å; T397-E401 WeakPolarHBondContact O-CG 3.4Å; T397-E401 PolarHBondContact O-N 3.43Å; V398-E401 PolarHBondContact O-N 3.47Å; R399-E401 VanDerWaalsContact C-N 3.32Å; R399-E401 PolarHBondContact O-N 3.39Å; E401-V411 WeakPolarHBondContact O-CG1 3.41Å; E401-L413 HydrophobicContact CB-CD2 3.76Å; E401-R427 HydrophobicContact CG-CB 4.28Å
402L95.8Very high94.8Very high0 Ų018.3 Ų18.30%012%0.115CC..Hα-helixtrans-93.6-28.7-175.3-68.9175.2000114.6L165 R166 L169 V349 Y361 V398 R399 V411 L413L165-L402 HydrophobicContact CD2-CD1 3.96Å; L165-L402 HydrophobicContact CG-CD1 4.04Å; R166-L402 HydrophobicContact CB-CD2 4.33Å; R166-L402 HydrophobicContact CG-CB 4.34Å; R166-L402 PolarHBondContact NE-O 3.27Å; L169-L402 HydrophobicContact CD1-CB 4.29Å; L169-L402 HydrophobicContact CD1-CD1 3.54Å; V349-L402 HydrophobicContact CG1-CD2 4.09Å; V349-L402 HydrophobicContact CG2-CD2 3.88Å; Y361-L402 HydrophobicContact CE1-CD1 4.34Å; V398-L402 HydrophobicContact CG1-CD1 3.93Å; V398-L402 WeakPolarHBondContact O-CB 3.46Å; V398-L402 WeakPolarHBondContact O-CG 3.47Å; V398-L402 PolarHBondContact O-N 2.89Å; V398-L402 VanDerWaalsContact O-N 3.12Å; R399-L402 PolarHBondContact O-N 3.14Å; L402-V411 HydrophobicContact CD2-CG1 4.26Å; L402-L413 HydrophobicContact CD2-CD1 4.04Å; L402-L413 HydrophobicContact CD2-CD2 4.33Å
403L96Very high94.6Very high0 Ų017.2 Ų17.20%011%0.108CC..Hα-helixtrans-104.7-20-172.2-53.7-176.7000114L169 L170 H173 R399 T405 E510 L565L169-L403 HydrophobicContact CB-CD1 4.34Å; L169-L403 HydrophobicContact CB-CD2 3.94Å; L169-L403 HydrophobicContact CB-CG 4.43Å; L170-L403 HydrophobicContact CB-CD2 4.49Å; L170-L403 HydrophobicContact CD2-CD2 3.57Å; L170-L403 HydrophobicContact CG-CD2 3.57Å; H173-L403 HydrophobicContact CB-CD1 4.43Å; R399-L403 HydrophobicContact CB-CD1 4.14Å; R399-L403 HydrophobicContact CG-CD1 4.22Å; R399-L403 WeakPolarHBondContact O-CA 3.22Å; R399-L403 WeakPolarHBondContact O-CB 3.25Å; R399-L403 VanDerWaalsContact O-CG 3.24Å; R399-L403 WeakPolarHBondContact O-CG 3.47Å; R399-L403 PolarHBondContact O-N 2.87Å; L403-T405 PolarHBondContact O-N 3.38Å; L403-T405 VanDerWaalsContact O-N 3.13Å; L403-E510 VanDerWaalsContact O-CA 3.23Å; L403-E510 WeakPolarHBondContact O-CA 3.32Å; L403-E510 WeakPolarHBondContact O-CB 3.23Å; L403-L565 HydrophobicContact CD1-CD2 3.89Å
404S94.4Very high94.3Very high4 Ų421 Ų213%0.02813%0.129CC..SBendtrans-68.9-9.4179.3-69.50000115F400 P426 C513F400-S404 WeakPolarHBondContact O-CB 3.11Å; F400-S404 PolarHBondContact O-N 3.23Å; F400-S404 PolarHBondContact O-OG 2.96Å; S404-P426 WeakPolarHBondContact CB-O 3.18Å; S404-P426 PolarHBondContact OG-O 3.12Å; S404-C513 VanDerWaalsContact OG-CB 3.25Å; S404-C513 WeakPolarHBondContact OG-CB 3.36Å
405T94.3Very high93.8Very high36 Ų3621.9 Ų21.922%0.22113%0.134CC..SBendtrans-102.4139.5175.6-610000109.6R166 L403 H407 V411R166-T405 PolarHBondContact NH2-O 2.89Å; R166-T405 VanDerWaalsContact NH2-O 3.14Å; L403-T405 PolarHBondContact O-N 3.38Å; L403-T405 VanDerWaalsContact O-N 3.13Å; T405-H407 PolarHBondContact O-N 2.95Å; T405-V411 HydrophobicContact CG2-CG2 4.01Å
406V94.8Very high93Very high38 Ų3827.6 Ų27.623%0.2316%0.16CC..  trans-44.9132.2174-178.20000109.7R166 T408 S409 E510R166-V406 PolarHBondContact NH2-O 3.25Å; V406-T408 PolarHBondContact O-N 2.96Å; V406-T408 VanDerWaalsContact O-N 3.14Å; V406-S409 WeakPolarHBondContact O-CB 3.47Å; V406-S409 PolarHBondContact O-N 3.15Å; V406-E510 HydrophobicContact CG2-CG 4.12Å
407H94.8Very high91.4Very high1 Ų137.5 Ų37.51%0.00520%0.197CC..THydrogen-bonded Turntrans-54-39.5-171.262.9-79.8000112.8R166 L170 L344 V345 C346 G347 T405 S409 N506 I507R166-H407 PolarHBondContact NH1-O 2.99Å; R166-H407 PolarHBondContact NH2-O 3.45Å; L170-H407 HydrophobicContact CD1-CB 4.03Å; L344-H407 VanDerWaalsContact CD1-CD2 3.46Å; L344-H407 WeakPolarHBondContact CD1-CD2 3.25Å; L344-H407 WeakPolarHBondContact CD1-NE2 3.23Å; V345-H407 PolarHBondContact O-CD2 3.41Å; C346-H407 CarbonylContact C-O 3.52Å; C346-H407 WeakPolarHBondContact CA-O 3.4Å; G347-H407 PolarHBondContact N-O 3.12Å; T405-H407 PolarHBondContact O-N 2.95Å; H407-S409 VanDerWaalsContact C-N 3.3Å; H407-S409 PolarHBondContact O-N 2.93Å; H407-N506 PolarHBondContact CE1-OD1 3.27Å; H407-I507 PolarHBondContact CE1-N 3.46Å; H407-I507 VanDerWaalsContact CE1-N 3.33Å; H407-I507 PolarHBondContact CE1-O 2.79Å; H407-I507 PolarHBondContact ND1-O 3.35Å
408T94.8Very high89.5Confident72 Ų7246.8 Ų46.844%0.44224%0.24SC..THydrogen-bonded Turntrans-70.1-2117957.60000114.7V406V406-T408 PolarHBondContact O-N 2.96Å; V406-T408 VanDerWaalsContact O-N 3.14Å
409S96.1Very high87.8Confident46 Ų4647.5 Ų47.532%0.32225%0.248SC..SBendtrans-84.3147.3-175.9-64.80000111.6R166 V406 H407R166-S409 PolarHBondContact NH1-O 3.03Å; R166-S409 PolarHBondContact NH2-O 3.31Å; V406-S409 WeakPolarHBondContact O-CB 3.47Å; V406-S409 PolarHBondContact O-N 3.15Å; H407-S409 VanDerWaalsContact C-N 3.3Å; H407-S409 PolarHBondContact O-N 2.93Å
410P95Very high86.1Confident69 Ų6950.7 Ų50.745%0.44828%0.281SS..  trans-65.7145.4174.928.1-34.5000111.5P348P348-P410 HydrophobicContact CG-CB 4.08Å; P348-P410 CarbonylContact O-C 3.5Å; P348-P410 VanDerWaalsContact O-CA 3.25Å; P348-P410 WeakPolarHBondContact O-CA 3.32Å
411V94.8Very high84.8Confident0 Ų051.5 Ų51.50%029%0.286CS..EExtended strand (participates in β ladder)trans-111.2116.2175.4172.20000109P348 V349 K350 E401 L402 T405 L413P348-V411 PolarHBondContact O-N 3.1Å; V349-V411 CarbonylContact C-O 3.53Å; V349-V411 VanDerWaalsContact CA-O 3.31Å; V349-V411 WeakPolarHBondContact CA-O 3.48Å; V349-V411 HydrophobicContact CG2-CB 4.35Å; K350-V411 PolarHBondContact N-O 3.42Å; E401-V411 WeakPolarHBondContact O-CG1 3.41Å; L402-V411 HydrophobicContact CD2-CG1 4.26Å; T405-V411 HydrophobicContact CG2-CG2 4.01Å; V411-L413 HydrophobicContact CG1-CD2 3.84Å; V411-L413 HydrophobicContact CG1-CG 4.18Å
412T92.6Very high83.2Confident70 Ų7053.4 Ų53.443%0.42930%0.3SS..EExtended strand (participates in β ladder)trans-94.3121.6172.2-52.30000109.6K350 P352 R427K350-T412 CarbonylContact O-C 3.6Å; K350-T412 VanDerWaalsContact O-CA 3.32Å; K350-T412 WeakPolarHBondContact O-CA 3.48Å; P352-T412 HydrophobicContact CG-CG2 3.68Å; T412-R427 VanDerWaalsContact O-CZ 3.23Å; T412-R427 PolarHBondContact O-NH1 3.16Å; T412-R427 PolarHBondContact O-NH2 3.4Å
413L91.2Very high81.5Confident0 Ų056.8 Ų56.80%032%0.32CS..  trans-99.8138.7177.4-62.8176.1000110.4L162 V349 K350 T351 P352 Y361 E401 L402 V411 V415L162-L413 HydrophobicContact CD1-CD1 4Å; V349-L413 HydrophobicContact CG1-CD1 3.53Å; V349-L413 HydrophobicContact CG1-CG 3.86Å; K350-L413 PolarHBondContact O-N 2.82Å; T351-L413 HydrophobicContact CG2-CB 4.09Å; T351-L413 HydrophobicContact CG2-CD1 4.49Å; P352-L413 WeakPolarHBondContact CD-O 3.31Å; Y361-L413 HydrophobicContact CD2-CD1 4.46Å; Y361-L413 HydrophobicContact CE1-CD1 4.21Å; Y361-L413 HydrophobicContact CE2-CD1 3.91Å; E401-L413 HydrophobicContact CB-CD2 3.76Å; L402-L413 HydrophobicContact CD2-CD1 4.04Å; L402-L413 HydrophobicContact CD2-CD2 4.33Å; V411-L413 HydrophobicContact CG1-CD2 3.84Å; V411-L413 HydrophobicContact CG1-CG 4.18Å; L413-V415 HydrophobicContact CB-CG1 4.12Å
414D86Confident79.7Confident87 Ų8765 Ų6547%0.46536%0.356SS..  trans-91.6111.2169.3-176.35.1000108.8R365 Q416R365-D414 PolarHBondContact NH1-O 2.79Å; R365-D414 PolarHBondContact NH2-O 2.76Å; D414-Q416 WeakPolarHBondContact OD1-CG 3.47Å; D414-Q416 PolarHBondContact OD1-N 2.76Å
415V83.4Confident78.4Confident22 Ų2266 Ų6613%0.13337%0.368CS..  trans-11218.5-172.7-640000112.3T351 L356 Y361 L364 L413 R417T351-V415 HydrophobicContact CG2-CG1 3.68Å; T351-V415 HydrophobicContact CG2-CG2 4.29Å; L356-V415 HydrophobicContact CD1-CB 3.84Å; L356-V415 HydrophobicContact CD1-CG1 3.76Å; L356-V415 HydrophobicContact CD1-CG2 4.35Å; Y361-V415 HydrophobicContact CD2-CG1 4.35Å; L364-V415 HydrophobicContact CD2-CB 4.06Å; L364-V415 HydrophobicContact CD2-CG1 4.48Å; L413-V415 HydrophobicContact CB-CG1 4.12Å; V415-R417 PolarHBondContact O-N 2.83Å
416Q78Confident76.9Confident128 Ų12868.1 Ų68.160%0.59838%0.382SS*.  trans-63.2133.5173.8-67.6-173.60.400110.6Q368 D414 E418 G419Q368-Q416 PolarHBondContact NE2-O 2.86Å; D414-Q416 WeakPolarHBondContact OD1-CG 3.47Å; D414-Q416 PolarHBondContact OD1-N 2.76Å; Q416-E418 VanDerWaalsContact C-N 3.32Å; Q416-E418 PolarHBondContact O-N 2.45Å; Q416-G419 PolarHBondContact O-N 3.39Å; Q416-G419 VanDerWaalsContact O-N 3.16Å
417R60.8Low76.1Confident209 Ų20968.7 Ų68.779%0.78938%0.38SS*.SBendtrans-63.7-39.6179.5-167.8-179.4-79.4-174.2-5.1111.4Q368 V415 G419Q368-R417 PolarHBondContact NE2-O 2.9Å; V415-R417 PolarHBondContact O-N 2.83Å; R417-G419 VanDerWaalsContact C-N 3.31Å
418E55.4Low75.7Confident195 Ų19568.7 Ų68.791%0.91138%0.38SS*.SBendtrans-79.4-11.8176.8-64.6167-172.600113.3Q416 G420Q416-E418 VanDerWaalsContact C-N 3.32Å; Q416-E418 PolarHBondContact O-N 2.45Å; E418-G420 PolarHBondContact O-N 3.29Å
419G59.2Low75.4Confident16 Ų1665.3 Ų65.317%0.16536%0.359CS..SBendtrans-77.2110.2177.100000110.5Q368 Q416 R417Q368-G419 PolarHBondContact NE2-O 2.73Å; Q416-G419 PolarHBondContact O-N 3.39Å; Q416-G419 VanDerWaalsContact O-N 3.16Å; R417-G419 VanDerWaalsContact C-N 3.31Å
420G61.5Low75.2Confident67 Ų6764.1 Ų64.169%0.69135%0.35SS*.  trans-59.1154174.500000112.3E418E418-G420 PolarHBondContact O-N 3.29Å
421V66.8Low75.1Confident17 Ų1763.1 Ų63.110%0.10334%0.339CS..  trans-62.5141.1179.2173.60000111.3Q368 M369 T397 T423 V430Q368-V421 HydrophobicContact CB-CG2 3.88Å; M369-V421 HydrophobicContact CE-CB 3.36Å; M369-V421 HydrophobicContact CE-CG1 3.76Å; M369-V421 HydrophobicContact CE-CG2 3.23Å; T397-V421 HydrophobicContact CG2-CG1 3.36Å; T397-V421 HydrophobicContact CG2-CG2 4.37Å; V421-T423 PolarHBondContact O-N 2.81Å; V421-V430 HydrophobicContact CG1-CG2 4.01Å
422S60.8Low75.1Confident45 Ų4563.1 Ų63.132%0.31534%0.339SS..  trans-62.799.1178.9-1630000111.4K424S422-K424 PolarHBondContact OG-O 2.87Å
423T61.8Low75.2Confident71 Ų7159.8 Ų59.844%0.43632%0.318SS..  trans-89.8-6.8174.354.30000112.8V421 V430 F431V421-T423 PolarHBondContact O-N 2.81Å; T423-V430 HydrophobicContact CG2-CB 4.33Å; T423-V430 HydrophobicContact CG2-CG1 4.05Å; T423-F431 WeakPolarHBondContact O-CB 3.37Å
424K58.1Low75.3Confident171 Ų17163.7 Ų63.774%0.74333%0.334SS*.SBendtrans-125.1157.1-174.4-63.7-176.9-177.3176.10111.1S422S422-K424 PolarHBondContact OG-O 2.87Å
425G67Low75.7Confident27 Ų2759.6 Ų59.628%0.27831%0.312SS..G310 helixtrans76.8-163.4176.900000113.3R427 G428 V517G425-R427 PolarHBondContact O-N 3.2Å; G425-G428 PolarHBondContact O-N 2.88Å; G425-V517 WeakPolarHBondContact O-CG1 3.38Å
426P62Low76.2Confident79 Ų7958.5 Ų58.551%0.51331%0.305SS..G310 helixtrans-68.7-12.3-170.927.6-34.3000114.3S404S404-P426 WeakPolarHBondContact CB-O 3.18Å; S404-P426 PolarHBondContact OG-O 3.12Å
427R78.8Confident76.9Confident51 Ų5152.5 Ų52.519%0.19228%0.277CS..G310 helixtrans-10113.2179.7-63.2-178.3175.3176.63.1113.5E401 T412 G425 G429E401-R427 HydrophobicContact CG-CB 4.28Å; T412-R427 VanDerWaalsContact O-CZ 3.23Å; T412-R427 PolarHBondContact O-NH1 3.16Å; T412-R427 PolarHBondContact O-NH2 3.4Å; G425-R427 PolarHBondContact O-N 3.2Å; R427-G429 PolarHBondContact O-N 3.04Å
428G84.8Confident78.4Confident0 Ų044.5 Ų44.50%025%0.247CC..  trans-74.354.8-174.300000114.9G425 V430 F431 V432G425-G428 PolarHBondContact O-N 2.88Å; G428-V430 VanDerWaalsContact C-N 3.32Å; G428-V430 PolarHBondContact O-N 3Å; G428-F431 WeakPolarHBondContact O-CB 3.42Å; G428-F431 PolarHBondContact O-N 2.88Å; G428-F431 VanDerWaalsContact O-N 3.1Å; G428-V432 WeakPolarHBondContact O-CG2 3.32Å; G428-V432 PolarHBondContact O-N 3.16Å
429G90.3Very high80.3Confident1 Ų135.2 Ų35.21%0.0120%0.204CC..Hα-helixtrans-57.8-44176.900000112.2F400 R427 F431 V432 M433F400-G429 VanDerWaalsContact CD2-CA 3.41Å; F400-G429 VanDerWaalsContact CG-CA 3.4Å; R427-G429 PolarHBondContact O-N 3.04Å; G429-F431 VanDerWaalsContact C-N 3.28Å; G429-F431 PolarHBondContact O-N 3.04Å; G429-V432 WeakPolarHBondContact O-CB 3.42Å; G429-V432 PolarHBondContact O-N 3.47Å; G429-V432 VanDerWaalsContact O-N 3.15Å; G429-M433 WeakPolarHBondContact O-CG 3.22Å; G429-M433 PolarHBondContact O-N 3.44Å
430V90.8Very high81.9Confident21 Ų2135.7 Ų35.713%0.12720%0.202CC..Hα-helixtrans-55.6-42.7173.6174.10000111.9M369 M393 T397 V421 T423 G428 M433 Y434M369-V430 HydrophobicContact CE-CG2 4.09Å; M369-V430 HydrophobicContact SD-CG2 3.95Å; M393-V430 HydrophobicContact CE-CB 3.8Å; M393-V430 HydrophobicContact CE-CG1 3.47Å; M393-V430 VanDerWaalsContact CE-CG1 3.47Å; M393-V430 HydrophobicContact CE-CG2 3.93Å; T397-V430 WeakPolarHBondContact OG1-CG2 3.29Å; V421-V430 HydrophobicContact CG1-CG2 4.01Å; T423-V430 HydrophobicContact CG2-CB 4.33Å; T423-V430 HydrophobicContact CG2-CG1 4.05Å; G428-V430 VanDerWaalsContact C-N 3.32Å; G428-V430 PolarHBondContact O-N 3Å; V430-M433 PolarHBondContact O-N 3.37Å; V430-Y434 WeakPolarHBondContact O-CB 3.48Å; V430-Y434 PolarHBondContact O-N 2.82Å
431F92.4Very high83.4Confident49 Ų4936 Ų3622%0.21519%0.19CC..Hα-helixtrans-68-38179.5173-110.7000112.2T423 G428 G429 N435 S520 K521 S524T423-F431 WeakPolarHBondContact O-CB 3.37Å; G428-F431 WeakPolarHBondContact O-CB 3.42Å; G428-F431 PolarHBondContact O-N 2.88Å; G428-F431 VanDerWaalsContact O-N 3.1Å; G429-F431 VanDerWaalsContact C-N 3.28Å; G429-F431 PolarHBondContact O-N 3.04Å; F431-N435 WeakPolarHBondContact CD2-ND2 3.35Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.45Å; F431-N435 VanDerWaalsContact CZ-ND2 3.32Å; F431-N435 WeakPolarHBondContact CZ-ND2 3.39Å; F431-N435 PolarHBondContact O-N 2.89Å; F431-N435 VanDerWaalsContact O-N 3.12Å; F431-N435 PolarHBondContact O-ND2 3.36Å; F431-S520 VanDerWaalsContact CE1-C 3.49Å; F431-S520 WeakPolarHBondContact CZ-O 3.48Å; F431-K521 HydrophobicContact CE1-CG 3.96Å; F431-S524 WeakPolarHBondContact CZ-OG 3.46Å
432V95.2Very high84.7Confident0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-62-50.3173.2173.20000110.3F400 G428 G429 Y434 N435 C436 L516 V517 Y558 L562F400-V432 HydrophobicContact CE1-CG2 3.87Å; F400-V432 HydrophobicContact CZ-CB 4.13Å; F400-V432 HydrophobicContact CZ-CG1 4.15Å; F400-V432 HydrophobicContact CZ-CG2 3.86Å; G428-V432 WeakPolarHBondContact O-CG2 3.32Å; G428-V432 PolarHBondContact O-N 3.16Å; G429-V432 WeakPolarHBondContact O-CB 3.42Å; G429-V432 PolarHBondContact O-N 3.47Å; G429-V432 VanDerWaalsContact O-N 3.15Å; V432-Y434 VanDerWaalsContact C-N 3.33Å; V432-Y434 PolarHBondContact O-N 3.25Å; V432-N435 PolarHBondContact O-N 3.25Å; V432-N435 VanDerWaalsContact O-N 3.14Å; V432-C436 PolarHBondContact O-N 3.41Å; V432-L516 HydrophobicContact CG1-CB 4Å; V432-L516 HydrophobicContact CG1-CD1 4.38Å; V432-L516 HydrophobicContact CG1-CD2 4.14Å; V432-L516 HydrophobicContact CG1-CG 4.42Å; V432-L516 HydrophobicContact CG2-CB 4.07Å; V432-V517 HydrophobicContact CG2-CG2 4.07Å; V432-Y558 HydrophobicContact CG1-CD1 4.36Å; V432-Y558 HydrophobicContact CG1-CE1 4.08Å; V432-L562 HydrophobicContact CG1-CD2 4Å
433M94.4Very high86.3Confident0 Ų033.3 Ų33.30%017%0.172CC..Hα-helixtrans-61.1-41.1-179.8-64.6-49.8-7400112.2V392 M393 A396 G429 V430 N435 C436 A437 L562 P568 I570V392-M433 HydrophobicContact CG1-CE 3.64Å; M393-M433 HydrophobicContact CE-CB 4.06Å; M393-M433 HydrophobicContact SD-CB 3.46Å; M393-M433 WeakPolarHBondContact SD-CB 3.49Å; M393-M433 HydrophobicContact SD-CG 3.86Å; A396-M433 HydrophobicContact CB-CG 3.71Å; A396-M433 HydrophobicContact CB-SD 4.35Å; G429-M433 WeakPolarHBondContact O-CG 3.22Å; G429-M433 PolarHBondContact O-N 3.44Å; V430-M433 PolarHBondContact O-N 3.37Å; M433-N435 PolarHBondContact O-N 3.31Å; M433-C436 WeakPolarHBondContact O-CB 3.32Å; M433-C436 PolarHBondContact O-N 3.39Å; M433-A437 PolarHBondContact O-N 3.37Å; M433-L562 HydrophobicContact SD-CD1 3.94Å; M433-L562 HydrophobicContact SD-CD2 3.78Å; M433-P568 WeakPolarHBondContact CE-O 3.04Å; M433-I570 HydrophobicContact CB-CD1 3.82Å; M433-I570 HydrophobicContact CB-CG1 4.41Å; M433-I570 HydrophobicContact CE-CD1 4.43Å; M433-I570 HydrophobicContact CE-CG1 4.06Å; M433-I570 HydrophobicContact CE-CG2 4.07Å
434Y92.8Very high87.9Confident82 Ų8232.4 Ų32.432%0.32216%0.164SC..Hα-helixtrans-59.9-42.8174.3173.8-110.9000112.7V430 V432 C436 A437 R438 L573V430-Y434 WeakPolarHBondContact O-CB 3.48Å; V430-Y434 PolarHBondContact O-N 2.82Å; V432-Y434 VanDerWaalsContact C-N 3.33Å; V432-Y434 PolarHBondContact O-N 3.25Å; Y434-C436 VanDerWaalsContact C-N 3.32Å; Y434-C436 PolarHBondContact O-N 3.43Å; Y434-A437 WeakPolarHBondContact O-CB 3.29Å; Y434-A437 PolarHBondContact O-N 2.91Å; Y434-R438 VanDerWaalsContact CE1-CD 3.42Å; Y434-R438 HydrophobicContact CE1-CG 4.09Å; Y434-R438 HydrophobicContact CE2-CG 4.12Å; Y434-R438 WeakPolarHBondContact O-CG 3.2Å; Y434-R438 PolarHBondContact O-N 3.22Å; Y434-L573 HydrophobicContact CD2-CB 4.38Å; Y434-L573 HydrophobicContact CD2-CD2 4.19Å
435N94.4Very high89.6Confident0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-66.8-34.8177.1-80.9-80.3000112.5F431 V432 M433 R438 L439 F523 S524F431-N435 WeakPolarHBondContact CD2-ND2 3.35Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.45Å; F431-N435 VanDerWaalsContact CZ-ND2 3.32Å; F431-N435 WeakPolarHBondContact CZ-ND2 3.39Å; F431-N435 PolarHBondContact O-N 2.89Å; F431-N435 VanDerWaalsContact O-N 3.12Å; F431-N435 PolarHBondContact O-ND2 3.36Å; V432-N435 PolarHBondContact O-N 3.25Å; V432-N435 VanDerWaalsContact O-N 3.14Å; M433-N435 PolarHBondContact O-N 3.31Å; N435-R438 PolarHBondContact O-N 3.12Å; N435-L439 PolarHBondContact O-N 3.38Å; N435-L439 VanDerWaalsContact O-N 3.15Å; N435-F523 HydrophobicContact CB-CD1 4.02Å; N435-F523 HydrophobicContact CB-CE1 4.21Å; N435-F523 VanDerWaalsContact OD1-CD1 3.3Å; N435-F523 WeakPolarHBondContact OD1-CD1 3.39Å; N435-S524 PolarHBondContact ND2-OG 3.46Å; N435-S524 PolarHBondContact OD1-OG 2.97Å
436C94.4Very high90.9Very high0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-61-45.6171.4-1660000111.3V432 M433 Y434 R438 L439 H440 L562V432-C436 PolarHBondContact O-N 3.41Å; M433-C436 WeakPolarHBondContact O-CB 3.32Å; M433-C436 PolarHBondContact O-N 3.39Å; Y434-C436 VanDerWaalsContact C-N 3.32Å; Y434-C436 PolarHBondContact O-N 3.43Å; C436-R438 VanDerWaalsContact C-N 3.35Å; C436-R438 PolarHBondContact O-N 2.96Å; C436-L439 PolarHBondContact O-N 3.24Å; C436-H440 PolarHBondContact O-N 2.98Å; C436-H440 VanDerWaalsContact O-N 3.15Å; C436-L562 HydrophobicContact CB-CD1 4.3Å
437A92.6Very high92.5Very high1 Ų126.5 Ų26.51%0.00813%0.13CC..Hα-helixtrans-61.7-40.2175.800000112.7M433 Y434 L439 H440 T441 I570 L573M433-A437 PolarHBondContact O-N 3.37Å; Y434-A437 WeakPolarHBondContact O-CB 3.29Å; Y434-A437 PolarHBondContact O-N 2.91Å; A437-L439 VanDerWaalsContact C-N 3.33Å; A437-L439 PolarHBondContact O-N 2.9Å; A437-H440 WeakPolarHBondContact O-CB 3.35Å; A437-H440 PolarHBondContact O-N 2.93Å; A437-T441 PolarHBondContact O-N 3.09Å; A437-T441 PolarHBondContact O-OG1 3.27Å; A437-T441 VanDerWaalsContact O-OG1 3.12Å; A437-I570 WeakPolarHBondContact CA-O 3.42Å; A437-I570 HydrophobicContact CB-CD1 4.27Å; A437-I570 HydrophobicContact CB-CG1 4.11Å; A437-L573 HydrophobicContact CB-CB 3.85Å
438R92.9Very high93.3Very high42 Ų4229.5 Ų29.516%0.15814%0.142CC..Hα-helixtrans-60.3-41.6176.3-74.1178.576.4175.912.1112.4Y434 N435 C436 H440 T441 L442 N528Y434-R438 VanDerWaalsContact CE1-CD 3.42Å; Y434-R438 HydrophobicContact CE1-CG 4.09Å; Y434-R438 HydrophobicContact CE2-CG 4.12Å; Y434-R438 WeakPolarHBondContact O-CG 3.2Å; Y434-R438 PolarHBondContact O-N 3.22Å; N435-R438 PolarHBondContact O-N 3.12Å; C436-R438 VanDerWaalsContact C-N 3.35Å; C436-R438 PolarHBondContact O-N 2.96Å; R438-H440 VanDerWaalsContact C-N 3.34Å; R438-T441 PolarHBondContact O-N 3.49Å; R438-L442 WeakPolarHBondContact O-CB 3.27Å; R438-L442 PolarHBondContact O-N 3.39Å; R438-N528 PolarHBondContact NH2-OD1 2.93Å
439L94.6Very high93.7Very high0 Ų029.8 Ų29.80%015%0.145CC..Hα-helixtrans-63.3-42.4175.2-79.3169.8000111N435 C436 A437 L442 F443 F523 L551 R555 Y558N435-L439 PolarHBondContact O-N 3.38Å; N435-L439 VanDerWaalsContact O-N 3.15Å; C436-L439 PolarHBondContact O-N 3.24Å; A437-L439 VanDerWaalsContact C-N 3.33Å; A437-L439 PolarHBondContact O-N 2.9Å; L439-L442 HydrophobicContact CD2-CD2 4.43Å; L439-L442 WeakPolarHBondContact O-CB 3.37Å; L439-L442 PolarHBondContact O-N 3.36Å; L439-F443 VanDerWaalsContact O-CD2 3.22Å; L439-F443 WeakPolarHBondContact O-CD2 3.22Å; L439-F443 PolarHBondContact O-N 2.9Å; L439-F443 VanDerWaalsContact O-N 3.14Å; L439-F523 HydrophobicContact CD1-CE1 4.4Å; L439-F523 HydrophobicContact CD1-CZ 4.27Å; L439-F523 HydrophobicContact CD2-CE1 4.36Å; L439-F523 HydrophobicContact CD2-CE2 3.65Å; L439-F523 HydrophobicContact CD2-CZ 3.49Å; L439-F523 VanDerWaalsContact CD2-CZ 3.49Å; L439-F523 HydrophobicContact CG-CE1 3.98Å; L439-F523 HydrophobicContact CG-CE2 4.15Å; L439-F523 HydrophobicContact CG-CZ 3.59Å; L439-L551 HydrophobicContact CD2-CB 4.1Å; L439-L551 HydrophobicContact CD2-CD2 4.32Å; L439-R555 HydrophobicContact CB-CB 4.42Å; L439-R555 HydrophobicContact CB-CG 4.42Å; L439-R555 HydrophobicContact CD1-CB 4.27Å; L439-Y558 HydrophobicContact CD1-CD2 3.56Å; L439-Y558 HydrophobicContact CD1-CE2 3.72Å
440H92.6Very high93.9Very high26 Ų2631.3 Ų31.312%0.1215%0.154CC..Hα-helixtrans-57.2-51.7172.8-98.5-69.5000112C436 A437 R438 L442 F443 D444 H559C436-H440 PolarHBondContact O-N 2.98Å; C436-H440 VanDerWaalsContact O-N 3.15Å; A437-H440 WeakPolarHBondContact O-CB 3.35Å; A437-H440 PolarHBondContact O-N 2.93Å; R438-H440 VanDerWaalsContact C-N 3.34Å; H440-L442 VanDerWaalsContact C-N 3.28Å; H440-L442 PolarHBondContact O-N 2.78Å; H440-F443 PolarHBondContact O-N 3.34Å; H440-F443 VanDerWaalsContact O-N 3.11Å; H440-D444 VanDerWaalsContact O-CG 3.3Å; H440-D444 PolarHBondContact O-N 3.49Å; H440-H559 AromaticContact CD2-NE2 3.85Å; H440-H559 AromaticContact NE2-CE1 3.4Å; H440-H559 PolarHBondContact NE2-CE1 2.79Å; H440-H559 AromaticContact NE2-NE2 3.34Å; H440-H559 PolarHBondContact NE2-NE2 2.72Å
441T93.3Very high94.2Very high73 Ų7338 Ų3845%0.44818%0.184SC..Hα-helixtrans-60-37.2-179.8-57.50000112.7A437 R438 S445A437-T441 PolarHBondContact O-N 3.09Å; A437-T441 PolarHBondContact O-OG1 3.27Å; A437-T441 VanDerWaalsContact O-OG1 3.12Å; R438-T441 PolarHBondContact O-N 3.49Å; T441-S445 VanDerWaalsContact O-CB 3.31Å; T441-S445 WeakPolarHBondContact O-CB 3.35Å; T441-S445 PolarHBondContact O-N 3.47Å
442L94.8Very high94.3Very high5 Ų543.8 Ų43.83%0.02621%0.209CC..Hα-helixtrans-59.3-50.9174.1171.373.5000111.3R438 L439 H440 S445 Y446 Y527 V532 L533 L551R438-L442 WeakPolarHBondContact O-CB 3.27Å; R438-L442 PolarHBondContact O-N 3.39Å; L439-L442 HydrophobicContact CD2-CD2 4.43Å; L439-L442 WeakPolarHBondContact O-CB 3.37Å; L439-L442 PolarHBondContact O-N 3.36Å; H440-L442 VanDerWaalsContact C-N 3.28Å; H440-L442 PolarHBondContact O-N 2.78Å; L442-S445 PolarHBondContact O-N 2.83Å; L442-Y446 PolarHBondContact O-N 2.85Å; L442-Y527 HydrophobicContact CD1-CE2 4.06Å; L442-Y527 HydrophobicContact CD2-CE2 3.97Å; L442-Y527 HydrophobicContact CG-CE2 4.42Å; L442-V532 HydrophobicContact CD1-CB 4.22Å; L442-V532 HydrophobicContact CD1-CG1 4.23Å; L442-V532 HydrophobicContact CD2-CG1 4.36Å; L442-L533 HydrophobicContact CD1-CD1 3.77Å; L442-L533 HydrophobicContact CD1-CG 3.72Å; L442-L551 HydrophobicContact CD2-CB 4.47Å; L442-L551 HydrophobicContact CD2-CD1 3.53Å
443F95.1Very high94.1Very high1 Ų146.8 Ų46.80%0.00424%0.24CC..Hα-helixtrans-67.9-42.4-178.8-80-70.3000111.7L439 H440 S445 Y446 E447 L548 L551 R552 R555L439-F443 VanDerWaalsContact O-CD2 3.22Å; L439-F443 WeakPolarHBondContact O-CD2 3.22Å; L439-F443 PolarHBondContact O-N 2.9Å; L439-F443 VanDerWaalsContact O-N 3.14Å; H440-F443 PolarHBondContact O-N 3.34Å; H440-F443 VanDerWaalsContact O-N 3.11Å; F443-S445 PolarHBondContact O-N 3.33Å; F443-Y446 WeakPolarHBondContact O-CB 3.47Å; F443-Y446 PolarHBondContact O-N 3.38Å; F443-E447 WeakPolarHBondContact O-CB 3.47Å; F443-E447 WeakPolarHBondContact O-CG 3.37Å; F443-E447 PolarHBondContact O-N 3.37Å; F443-L548 HydrophobicContact CE1-CD2 3.95Å; F443-L548 HydrophobicContact CZ-CD2 4.42Å; F443-L548 WeakPolarHBondContact CZ-O 3.41Å; F443-L551 HydrophobicContact CE2-CB 4.31Å; F443-L551 HydrophobicContact CZ-CB 4.15Å; F443-R552 HydrophobicContact CE1-CB 4.13Å; F443-R552 HydrophobicContact CE2-CB 4.4Å; F443-R552 HydrophobicContact CZ-CB 3.65Å; F443-R555 HydrophobicContact CE2-CB 4.43Å
444D94.4Very high93.9Very high52 Ų5251.1 Ų51.128%0.27826%0.262SS..Hα-helixtrans-59.7-37.2174.9-66.14000111.5H440 R448H440-D444 VanDerWaalsContact O-CG 3.3Å; H440-D444 PolarHBondContact O-N 3.49Å; D444-R448 WeakPolarHBondContact O-CB 3.49Å; D444-R448 WeakPolarHBondContact O-CG 3.2Å; D444-R448 PolarHBondContact O-N 3.39Å; D444-R448 VanDerWaalsContact O-N 3.1Å; D444-R448 PolarHBondContact O-NH1 2.98Å
445S93.9Very high93.9Very high53 Ų5348.5 Ų48.537%0.37125%0.252SS..Hα-helixtrans-67.9-37.5175.6-172.30000112.6T441 L442 F443 G449T441-S445 VanDerWaalsContact O-CB 3.31Å; T441-S445 WeakPolarHBondContact O-CB 3.35Å; T441-S445 PolarHBondContact O-N 3.47Å; L442-S445 PolarHBondContact O-N 2.83Å; F443-S445 PolarHBondContact O-N 3.33Å; S445-G449 PolarHBondContact O-N 3.38Å; S445-G449 VanDerWaalsContact O-N 3.17Å
446Y95.1Very high93.9Very high8 Ų851.2 Ų51.23%0.03127%0.27CS..Hα-helixtrans-68.3-48.3176.2173-98000111.1L442 F443 R448 G449 V450 Y455 P456 I458 L533 M544 L548L442-Y446 PolarHBondContact O-N 2.85Å; F443-Y446 WeakPolarHBondContact O-CB 3.47Å; F443-Y446 PolarHBondContact O-N 3.38Å; Y446-R448 PolarHBondContact O-N 3.04Å; Y446-G449 CarbonylContact O-C 3.4Å; Y446-G449 VanDerWaalsContact O-CA 3.29Å; Y446-G449 WeakPolarHBondContact O-CA 3.5Å; Y446-G449 PolarHBondContact O-N 3.5Å; Y446-V450 HydrophobicContact CD1-CG2 4.19Å; Y446-V450 HydrophobicContact CE1-CG2 3.6Å; Y446-V450 HydrophobicContact CE2-CG2 4.03Å; Y446-V450 PolarHBondContact O-N 2.99Å; Y446-Y455 AromaticContact CD2-CD2 3.99Å; Y446-Y455 HydrophobicContact CD2-CD2 3.99Å; Y446-Y455 HydrophobicContact CD2-CG 4.24Å; Y446-Y455 HydrophobicContact CE2-CD2 4.26Å; Y446-Y455 HydrophobicContact CE2-CG 4.06Å; Y446-P456 PolarHBondContact OH-O 3.49Å; Y446-I458 HydrophobicContact CD1-CD1 3.93Å; Y446-I458 HydrophobicContact CD1-CG1 4.33Å; Y446-I458 HydrophobicContact CE1-CD1 3.37Å; Y446-I458 HydrophobicContact CE1-CG1 3.31Å; Y446-I458 HydrophobicContact CE2-CG1 4.48Å; Y446-I458 WeakPolarHBondContact OH-CG1 3.41Å; Y446-I458 PolarHBondContact OH-N 3.35Å; Y446-L533 HydrophobicContact CD2-CD2 3.73Å; Y446-L533 HydrophobicContact CG-CD2 4.29Å; Y446-M544 HydrophobicContact CE2-CE 4.27Å; Y446-L548 HydrophobicContact CD2-CD1 3.79Å; Y446-L548 HydrophobicContact CE2-CD1 3.7Å; Y446-L548 HydrophobicContact CG-CD1 4.23Å
447E95Very high93.8Very high91 Ų9158.7 Ų58.743%0.42531%0.305SS..Hα-helixtrans-57.3-47.8179-72.2168.4-167.500111.2F443 G449 V450 E451F443-E447 WeakPolarHBondContact O-CB 3.47Å; F443-E447 WeakPolarHBondContact O-CG 3.37Å; F443-E447 PolarHBondContact O-N 3.37Å; E447-G449 PolarHBondContact O-N 3.04Å; E447-V450 WeakPolarHBondContact O-CB 3.27Å; E447-V450 PolarHBondContact O-N 3.23Å; E447-V450 VanDerWaalsContact O-N 3.08Å; E447-E451 WeakPolarHBondContact O-CG 3.27Å; E447-E451 PolarHBondContact O-N 3.34Å
448R95.1Very high93.7Very high115 Ų11560.1 Ų60.143%0.43431%0.312SS..Hα-helixtrans-61.3-30.4172.2-72.5-170.8-58.2-91.2-0.8113.6D444 Y446 K452D444-R448 WeakPolarHBondContact O-CB 3.49Å; D444-R448 WeakPolarHBondContact O-CG 3.2Å; D444-R448 PolarHBondContact O-N 3.39Å; D444-R448 VanDerWaalsContact O-N 3.1Å; D444-R448 PolarHBondContact O-NH1 2.98Å; Y446-R448 PolarHBondContact O-N 3.04Å; R448-K452 WeakPolarHBondContact O-CB 3.07Å; R448-K452 WeakPolarHBondContact O-CD 3.33Å; R448-K452 VanDerWaalsContact O-CG 3.23Å; R448-K452 WeakPolarHBondContact O-CG 3.08Å; R448-K452 PolarHBondContact O-N 3.12Å
449G94.2Very high93.7Very high6 Ų659.6 Ų59.66%0.06231%0.314CS..Hα-helixtrans-69.4-38.617500000111.8S445 Y446 E447 K452 G453 L454 Y455S445-G449 PolarHBondContact O-N 3.38Å; S445-G449 VanDerWaalsContact O-N 3.17Å; Y446-G449 CarbonylContact O-C 3.4Å; Y446-G449 VanDerWaalsContact O-CA 3.29Å; Y446-G449 WeakPolarHBondContact O-CA 3.5Å; Y446-G449 PolarHBondContact O-N 3.5Å; E447-G449 PolarHBondContact O-N 3.04Å; G449-K452 PolarHBondContact O-N 3.3Å; G449-G453 PolarHBondContact O-N 3.48Å; G449-L454 VanDerWaalsContact O-CB 3.32Å; G449-L454 WeakPolarHBondContact O-CB 3.5Å; G449-L454 PolarHBondContact O-N 3.49Å; G449-Y455 PolarHBondContact O-N 3.25Å
450V94.9Very high93.5Very high33 Ų3363.7 Ų63.720%0.234%0.336CS..Hα-helixtrans-65.3-47.1173.8176.70000110.9Y446 E447 K452 G453 Y455 E457Y446-V450 HydrophobicContact CD1-CG2 4.19Å; Y446-V450 HydrophobicContact CE1-CG2 3.6Å; Y446-V450 HydrophobicContact CE2-CG2 4.03Å; Y446-V450 PolarHBondContact O-N 2.99Å; E447-V450 WeakPolarHBondContact O-CB 3.27Å; E447-V450 PolarHBondContact O-N 3.23Å; E447-V450 VanDerWaalsContact O-N 3.08Å; V450-K452 PolarHBondContact O-N 3.15Å; V450-G453 PolarHBondContact O-N 2.87Å; V450-Y455 WeakPolarHBondContact CA-O 3.45Å; V450-E457 HydrophobicContact CG1-CG 3.86Å
451E95.4Very high93.2Very high161 Ų16162.6 Ų62.675%0.75233%0.331SS*.Hα-helixtrans-56.7-33.9176.3-70.2172.2173.600112.7E447 G453E447-E451 WeakPolarHBondContact O-CG 3.27Å; E447-E451 PolarHBondContact O-N 3.34Å; E451-G453 VanDerWaalsContact C-N 3.3Å
452K94.1Very high92.9Very high170 Ų17063.5 Ų63.574%0.73934%0.341SS*.THydrogen-bonded Turntrans-84.90.5177.3-69.2174.6-176.6-176.70113.8R448 G449 V450 L454R448-K452 WeakPolarHBondContact O-CB 3.07Å; R448-K452 WeakPolarHBondContact O-CD 3.33Å; R448-K452 VanDerWaalsContact O-CG 3.23Å; R448-K452 WeakPolarHBondContact O-CG 3.08Å; R448-K452 PolarHBondContact O-N 3.12Å; G449-K452 PolarHBondContact O-N 3.3Å; V450-K452 PolarHBondContact O-N 3.15Å; K452-L454 VanDerWaalsContact C-N 3.26Å; K452-L454 PolarHBondContact O-N 3.02Å
453G91.6Very high92.7Very high64 Ų6470 Ų7066%0.6637%0.371SS*.THydrogen-bonded Turntrans70.815.4-177.100000114.8G449 V450 E451G449-G453 PolarHBondContact O-N 3.48Å; V450-G453 PolarHBondContact O-N 2.87Å; E451-G453 VanDerWaalsContact C-N 3.3Å
454L90.8Very high92.6Very high90 Ų9070.5 Ų70.547%0.47137%0.374SS..SBendtrans-76.5-38178.9-174.168.3000111.9G449 K452 P536G449-L454 VanDerWaalsContact O-CB 3.32Å; G449-L454 WeakPolarHBondContact O-CB 3.5Å; G449-L454 PolarHBondContact O-N 3.49Å; K452-L454 VanDerWaalsContact C-N 3.26Å; K452-L454 PolarHBondContact O-N 3.02Å; L454-P536 HydrophobicContact CD1-CB 4.12Å; L454-P536 HydrophobicContact CD1-CG 3.76Å; L454-P536 HydrophobicContact CG-CB 4.28Å; L454-P536 HydrophobicContact CG-CG 4.39Å; L454-P536 WeakPolarHBondContact O-CB 3.25Å
455Y93.3Very high92.6Very high27 Ų2771.4 Ų71.411%0.10638%0.378CS..SBendtrans-122.5148.1176.2-58.5-64.7000109.2Y446 G449 V450 G534 P536 M544Y446-Y455 AromaticContact CD2-CD2 3.99Å; Y446-Y455 HydrophobicContact CD2-CD2 3.99Å; Y446-Y455 HydrophobicContact CD2-CG 4.24Å; Y446-Y455 HydrophobicContact CE2-CD2 4.26Å; Y446-Y455 HydrophobicContact CE2-CG 4.06Å; G449-Y455 PolarHBondContact O-N 3.25Å; V450-Y455 WeakPolarHBondContact CA-O 3.45Å; Y455-G534 PolarHBondContact OH-O 2.86Å; Y455-P536 HydrophobicContact CD1-CB 4.23Å; Y455-P536 HydrophobicContact CE1-CB 4.06Å; Y455-M544 HydrophobicContact CD1-CE 3.88Å; Y455-M544 HydrophobicContact CD1-SD 4Å; Y455-M544 HydrophobicContact CE1-CE 4.44Å; Y455-M544 HydrophobicContact CE1-SD 3.97Å; Y455-M544 HydrophobicContact CG-CE 4.47Å
456P93.1Very high92.7Very high57 Ų5768.9 Ų68.937%0.3736%0.361SS..  trans-77.2168.1168.537.8-37.7000109.5Y446 F541 F545Y446-P456 PolarHBondContact OH-O 3.49Å; P456-F541 HydrophobicContact CG-CD2 4.04Å; P456-F541 HydrophobicContact CG-CE2 3.95Å; P456-F541 HydrophobicContact CG-CZ 4.49Å; P456-F545 HydrophobicContact CG-CE1 4.38Å; P456-F545 HydrophobicContact CG-CE2 4.35Å; P456-F545 HydrophobicContact CG-CZ 3.54Å
457E93Very high92.7Very high157 Ų15770.9 Ų70.973%0.73438%0.376SS*.  trans-61.6153.3174.3-67.8-177.3178.100112.3V450 P459V450-E457 HydrophobicContact CG1-CG 3.86Å; E457-P459 VanDerWaalsContact O-CD 3.28Å; E457-P459 WeakPolarHBondContact O-CD 3.37Å
458I91.2Very high92.6Very high31 Ų3167.2 Ų67.216%0.15936%0.361CS..  trans-70.4116179.5-60.3174.8000107.8Y446 F545 L548 H549Y446-I458 HydrophobicContact CD1-CD1 3.93Å; Y446-I458 HydrophobicContact CD1-CG1 4.33Å; Y446-I458 HydrophobicContact CE1-CD1 3.37Å; Y446-I458 HydrophobicContact CE1-CG1 3.31Å; Y446-I458 HydrophobicContact CE2-CG1 4.48Å; Y446-I458 WeakPolarHBondContact OH-CG1 3.41Å; Y446-I458 PolarHBondContact OH-N 3.35Å; I458-F545 HydrophobicContact CG1-CD1 4.32Å; I458-F545 HydrophobicContact CG2-CD1 4.48Å; I458-L548 HydrophobicContact CD1-CB 4.08Å; I458-L548 HydrophobicContact CD1-CD1 4.07Å; I458-L548 HydrophobicContact CG1-CD1 4.33Å; I458-H549 WeakPolarHBondContact CG2-NE2 3.43Å
459P92.3Very high92.6Very high31 Ų3162.3 Ų62.320%0.20134%0.344CS..  trans-68.1163.617831.8-37.2000111E457 Q463 L464 F545 H549E457-P459 VanDerWaalsContact O-CD 3.28Å; E457-P459 WeakPolarHBondContact O-CD 3.37Å; P459-Q463 HydrophobicContact CB-CB 4.48Å; P459-L464 HydrophobicContact CG-CD1 4.48Å; P459-L464 HydrophobicContact CG-CD2 3.62Å; P459-L464 HydrophobicContact CG-CG 4.13Å; P459-F545 VanDerWaalsContact CD-CG 3.47Å; P459-F545 HydrophobicContact CG-CB 4.29Å; P459-F545 HydrophobicContact CG-CD2 3.55Å; P459-F545 HydrophobicContact CG-CE2 4.08Å; P459-F545 HydrophobicContact CG-CG 3.95Å; P459-H549 PolarHBondContact O-NE2 2.99Å
460D89.9Confident92.5Very high87 Ų8769.4 Ų69.447%0.46537%0.373SS..  trans-61.5148.2175.6-176.1-101.1000111.3S462 Q463D460-S462 PolarHBondContact O-N 2.86Å; D460-S462 WeakPolarHBondContact OD1-CB 3.33Å; D460-S462 PolarHBondContact OD1-N 2.89Å; D460-S462 PolarHBondContact OD1-OG 2.96Å; D460-Q463 HydrophobicContact CB-CG 4.44Å; D460-Q463 WeakPolarHBondContact O-CB 3.41Å; D460-Q463 PolarHBondContact O-N 3.31Å
461G87.5Confident92.4Very high2 Ų272.3 Ų72.32%0.02138%0.384CS..G310 helixtrans-61.2-27-17800000113.6Q463 L464 F466G461-Q463 PolarHBondContact O-N 3.33Å; G461-L464 PolarHBondContact O-N 3.33Å; G461-F466 WeakPolarHBondContact O-CE2 3.31Å
462S87.3Confident92.2Very high93 Ų9366.8 Ų66.865%0.6536%0.358SS*.G310 helixtrans-66.9-23.4175.264.40000113.9D460 L464D460-S462 PolarHBondContact O-N 2.86Å; D460-S462 WeakPolarHBondContact OD1-CB 3.33Å; D460-S462 PolarHBondContact OD1-N 2.89Å; D460-S462 PolarHBondContact OD1-OG 2.96Å; S462-L464 VanDerWaalsContact C-N 3.35Å
463Q90.2Very high92.2Very high141 Ų14159.7 Ų59.766%0.65933%0.333SS*.G310 helixtrans-88.5-5.5-178.4-60.1177.5-34.600112.8P459 D460 G461P459-Q463 HydrophobicContact CB-CB 4.48Å; D460-Q463 HydrophobicContact CB-CG 4.44Å; D460-Q463 WeakPolarHBondContact O-CB 3.41Å; D460-Q463 PolarHBondContact O-N 3.31Å; G461-Q463 PolarHBondContact O-N 3.33Å
464L92.6Very high92.5Very high12 Ų1256.6 Ų56.66%0.06330%0.302CS..SBendtrans-97.6142.6-174-67.8177.4000112.7P459 G461 S462 F466 N542 F545 H549P459-L464 HydrophobicContact CG-CD1 4.48Å; P459-L464 HydrophobicContact CG-CD2 3.62Å; P459-L464 HydrophobicContact CG-CG 4.13Å; G461-L464 PolarHBondContact O-N 3.33Å; S462-L464 VanDerWaalsContact C-N 3.35Å; L464-F466 HydrophobicContact CB-CE2 4.29Å; L464-F466 HydrophobicContact CB-CZ 4.33Å; L464-N542 WeakPolarHBondContact CD2-OD1 3.3Å; L464-F545 HydrophobicContact CD1-CB 3.83Å; L464-F545 HydrophobicContact CD2-CB 3.66Å; L464-F545 HydrophobicContact CD2-CD2 4.05Å; L464-F545 HydrophobicContact CD2-CG 4.34Å; L464-F545 HydrophobicContact CG-CB 4.43Å; L464-H549 WeakPolarHBondContact CD1-CD2 3.5Å
465D94.5Very high92.7Very high70 Ų7052.4 Ų52.437%0.37428%0.28SS..  trans-93.998.5169.4-178.918.7000110.9S467 A468 N542 C546D465-S467 PolarHBondContact O-N 2.77Å; D465-S467 VanDerWaalsContact O-N 3.11Å; D465-S467 VanDerWaalsContact OD1-CB 3.23Å; D465-S467 WeakPolarHBondContact OD1-CB 3.19Å; D465-S467 PolarHBondContact OD1-N 3.39Å; D465-S467 PolarHBondContact OD1-OG 2.79Å; D465-S467 PolarHBondContact OD2-OG 3.4Å; D465-A468 WeakPolarHBondContact O-CB 3.46Å; D465-A468 PolarHBondContact O-N 3.31Å; D465-N542 PolarHBondContact N-OD1 2.85Å; D465-N542 PolarHBondContact O-ND2 2.76Å; D465-C546 PolarHBondContact O-SG 2.84Å
466F95.2Very high92.9Very high0 Ų051.5 Ų51.50%028%0.277CS..G310 helixtrans-66.4-5177.2-67.6-76.5000114.5F119 R120 L123 A124 G461 L464 A468 L469 C546F119-F466 HydrophobicContact CB-CB 3.77Å; F119-F466 HydrophobicContact CB-CD1 4.03Å; F119-F466 HydrophobicContact CB-CG 4Å; R120-F466 HydrophobicContact CB-CD2 3.92Å; R120-F466 HydrophobicContact CB-CE2 4.47Å; R120-F466 HydrophobicContact CG-CD2 4.25Å; L123-F466 HydrophobicContact CB-CE1 3.61Å; L123-F466 HydrophobicContact CB-CZ 3.65Å; L123-F466 HydrophobicContact CD1-CD1 4.09Å; L123-F466 HydrophobicContact CD1-CE1 3.65Å; L123-F466 HydrophobicContact CG-CE1 4.26Å; A124-F466 HydrophobicContact CB-CE2 3.95Å; A124-F466 HydrophobicContact CB-CZ 4.5Å; G461-F466 WeakPolarHBondContact O-CE2 3.31Å; L464-F466 HydrophobicContact CB-CE2 4.29Å; L464-F466 HydrophobicContact CB-CZ 4.33Å; F466-A468 PolarHBondContact O-N 2.82Å; F466-A468 VanDerWaalsContact O-N 3.16Å; F466-L469 HydrophobicContact CD1-CD1 3.95Å; F466-L469 PolarHBondContact O-N 2.69Å; F466-L469 VanDerWaalsContact O-N 3.16Å; F466-C546 HydrophobicContact CD1-CB 4.28Å; F466-C546 HydrophobicContact CE1-CB 4.5Å
467S95Very high93.1Very high50 Ų5048.8 Ų48.835%0.3526%0.259SS..G310 helixtrans-61.9-16.1168.388.10000113.1D465 L469 K470D465-S467 PolarHBondContact O-N 2.77Å; D465-S467 VanDerWaalsContact O-N 3.11Å; D465-S467 VanDerWaalsContact OD1-CB 3.23Å; D465-S467 WeakPolarHBondContact OD1-CB 3.19Å; D465-S467 PolarHBondContact OD1-N 3.39Å; D465-S467 PolarHBondContact OD1-OG 2.79Å; D465-S467 PolarHBondContact OD2-OG 3.4Å; S467-L469 VanDerWaalsContact C-N 3.28Å; S467-L469 PolarHBondContact O-N 3.18Å; S467-K470 VanDerWaalsContact O-CE 3.31Å; S467-K470 WeakPolarHBondContact O-CE 3.31Å
468A94.3Very high93.3Very high14 Ų1441.3 Ų41.312%0.11622%0.224CC..G310 helixtrans-72.2-16.1175.300000114.4D465 F466 K470 N542 Q543D465-A468 WeakPolarHBondContact O-CB 3.46Å; D465-A468 PolarHBondContact O-N 3.31Å; F466-A468 PolarHBondContact O-N 2.82Å; F466-A468 VanDerWaalsContact O-N 3.16Å; A468-K470 PolarHBondContact O-N 3.01Å; A468-N542 WeakPolarHBondContact CB-ND2 3.35Å; A468-Q543 HydrophobicContact CB-CB 4.06Å; A468-Q543 HydrophobicContact CB-CG 4.38Å; A468-Q543 PolarHBondContact O-NE2 2.78Å; A468-Q543 VanDerWaalsContact O-NE2 3.13Å
469L94.9Very high93.6Very high13 Ų1339.8 Ų39.87%0.06822%0.217CC..  trans-84.2100.5173.7-62179.2000109.8F119 L123 F466 S467 E474 C546 R547F119-L469 HydrophobicContact CB-CD1 4.41Å; F119-L469 HydrophobicContact CD1-CD1 3.41Å; F119-L469 VanDerWaalsContact CD1-CD1 3.41Å; F119-L469 HydrophobicContact CD2-CB 4.12Å; F119-L469 HydrophobicContact CD2-CD1 4.12Å; F119-L469 HydrophobicContact CE1-CB 4.5Å; F119-L469 HydrophobicContact CE1-CD1 3.58Å; F119-L469 HydrophobicContact CE2-CB 3.83Å; F119-L469 HydrophobicContact CE2-CD1 4.22Å; F119-L469 HydrophobicContact CG-CD1 3.75Å; F119-L469 HydrophobicContact CZ-CB 4.04Å; F119-L469 HydrophobicContact CZ-CD1 3.98Å; L123-L469 HydrophobicContact CD1-CD1 4.26Å; F466-L469 HydrophobicContact CD1-CD1 3.95Å; F466-L469 PolarHBondContact O-N 2.69Å; F466-L469 VanDerWaalsContact O-N 3.16Å; S467-L469 VanDerWaalsContact C-N 3.28Å; S467-L469 PolarHBondContact O-N 3.18Å; L469-E474 WeakPolarHBondContact CA-OE2 3.39Å; L469-E474 HydrophobicContact CB-CB 4.45Å; L469-E474 WeakPolarHBondContact CB-OE2 3.38Å; L469-E474 HydrophobicContact CD2-CG 4.19Å; L469-C546 HydrophobicContact CD1-CB 4.14Å; L469-C546 HydrophobicContact CD2-CB 3.65Å; L469-C546 HydrophobicContact CG-CB 3.76Å; L469-R547 HydrophobicContact CD2-CG 3.84Å
470K91.1Very high93.8Very high155 Ų15539.2 Ų39.267%0.67421%0.212SC*.  trans-118-14.3-172.2-62.4-178.7-178177.70113.2S467 A468 E474S467-K470 VanDerWaalsContact O-CE 3.31Å; S467-K470 WeakPolarHBondContact O-CE 3.31Å; A468-K470 PolarHBondContact O-N 3.01Å; K470-E474 PolarHBondContact N-OE2 3.38Å
471E92.6Very high94.2Very high94 Ų9435.7 Ų35.744%0.43919%0.192SC..  trans-77.3136.3-176.6-66.1-63.2146.400110.3G473 E474 W475 Y526 V530E471-G473 PolarHBondContact O-N 3.37Å; E471-G473 VanDerWaalsContact O-N 3.13Å; E471-E474 HydrophobicContact CB-CG 3.96Å; E471-E474 PolarHBondContact N-OE2 3.14Å; E471-E474 WeakPolarHBondContact O-CB 3.47Å; E471-E474 PolarHBondContact O-N 2.96Å; E471-W475 PolarHBondContact O-N 2.88Å; E471-Y526 HydrophobicContact CB-CE2 4.48Å; E471-V530 HydrophobicContact CG-CG2 4.04Å
472E92.1Very high94.6Very high44 Ų4435.6 Ų35.621%0.20619%0.191CC..Hα-helixtrans-59.4-29.1177.1-67.3-61.213300112.4R60 R115 E474 W475 L476R60-E472 HydrophobicContact CG-CG 3.68Å; R60-E472 PolarHBondContact N-OE2 2.67Å; R115-E472 IonicContact CZ-OE1 3.34Å; R115-E472 IonicContact CZ-OE2 2.64Å; R115-E472 VanDerWaalsContact NH1-CD 3.33Å; R115-E472 IonicContact NH1-OE1 2.75Å; R115-E472 PolarHBondContact NH1-OE1 3.23Å; R115-E472 IonicContact NH1-OE2 3.13Å; R115-E472 PolarHBondContact NH1-OE2 3.42Å; R115-E472 IonicContact NH2-OE1 3.94Å; R115-E472 PolarHBondContact NH2-OE1 3.45Å; R115-E472 IonicContact NH2-OE2 2.68Å; R115-E472 PolarHBondContact NH2-OE2 2.79Å; E472-E474 VanDerWaalsContact C-N 3.33Å; E472-W475 PolarHBondContact O-N 3.32Å; E472-L476 VanDerWaalsContact O-CB 3.22Å; E472-L476 WeakPolarHBondContact O-CB 3.07Å; E472-L476 PolarHBondContact O-N 3.01Å
473G94.5Very high95Very high21 Ų2131.2 Ų31.222%0.21616%0.16CC..Hα-helixtrans-64.3-35.8174.300000112.9E471 L476 L477E471-G473 PolarHBondContact O-N 3.37Å; E471-G473 VanDerWaalsContact O-N 3.13Å; G473-L476 PolarHBondContact O-N 3.15Å; G473-L477 WeakPolarHBondContact O-CB 3.33Å; G473-L477 WeakPolarHBondContact O-CD1 3.21Å; G473-L477 WeakPolarHBondContact O-CG 3.37Å; G473-L477 PolarHBondContact O-N 3.47Å
474E96.4Very high95.2Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-65.8-46.2177.7-64.7160.1165.600109.8F119 L469 K470 E471 E472 L477 L478 Y526 R547 L550F119-E474 HydrophobicContact CE1-CB 4.48Å; F119-E474 HydrophobicContact CZ-CB 3.98Å; L469-E474 WeakPolarHBondContact CA-OE2 3.39Å; L469-E474 HydrophobicContact CB-CB 4.45Å; L469-E474 WeakPolarHBondContact CB-OE2 3.38Å; L469-E474 HydrophobicContact CD2-CG 4.19Å; K470-E474 PolarHBondContact N-OE2 3.38Å; E471-E474 HydrophobicContact CB-CG 3.96Å; E471-E474 PolarHBondContact N-OE2 3.14Å; E471-E474 WeakPolarHBondContact O-CB 3.47Å; E471-E474 PolarHBondContact O-N 2.96Å; E472-E474 VanDerWaalsContact C-N 3.33Å; E474-L477 PolarHBondContact O-N 3.22Å; E474-L478 PolarHBondContact O-N 3.06Å; E474-Y526 HydrophobicContact CG-CD2 4.47Å; E474-Y526 HydrophobicContact CG-CE2 3.49Å; E474-Y526 VanDerWaalsContact CG-CE2 3.49Å; E474-Y526 WeakPolarHBondContact CG-OH 3.3Å; E474-Y526 PolarHBondContact OE1-OH 3.18Å; E474-R547 IonicContact OE1-CZ 3.16Å; E474-R547 IonicContact OE1-NE 2.91Å; E474-R547 PolarHBondContact OE1-NE 3.29Å; E474-R547 IonicContact OE1-NH2 2.75Å; E474-R547 PolarHBondContact OE1-NH2 2.8Å; E474-L550 HydrophobicContact CB-CD2 3.92Å; E474-L550 HydrophobicContact CG-CD2 4.15Å
475W96.6Very high95.4Very high1 Ų125 Ų250%0.00413%0.133CC..Hα-helixtrans-64.3-45.5177.7177.7-122.8000111.7D63 V113 R115 A118 F119 E471 E472 L477 L478 F479D63-W475 PolarHBondContact OD1-NE1 2.99Å; V113-W475 HydrophobicContact CB-CH2 4.09Å; V113-W475 HydrophobicContact CB-CZ2 3.96Å; V113-W475 HydrophobicContact CG1-CH2 3.76Å; V113-W475 HydrophobicContact CG1-CZ2 4.16Å; V113-W475 HydrophobicContact CG2-CZ2 4.47Å; R115-W475 HydrophobicContact CB-CD2 4.38Å; R115-W475 HydrophobicContact CB-CE3 3.96Å; R115-W475 HydrophobicContact CB-CZ3 4.16Å; R115-W475 HydrophobicContact CG-CD2 3.69Å; R115-W475 HydrophobicContact CG-CE3 3.76Å; R115-W475 HydrophobicContact CG-CG 4.18Å; R115-W475 HydrophobicContact CG-CH2 4.31Å; R115-W475 HydrophobicContact CG-CZ2 4.22Å; R115-W475 HydrophobicContact CG-CZ3 4.08Å; R115-W475 VanDerWaalsContact CZ-CD1 3.41Å; R115-W475 VanDerWaalsContact NE-CD1 3.31Å; A118-W475 HydrophobicContact CB-CH2 3.97Å; A118-W475 HydrophobicContact CB-CZ3 3.77Å; F119-W475 HydrophobicContact CE2-CE3 4.15Å; F119-W475 HydrophobicContact CZ-CB 4.4Å; F119-W475 HydrophobicContact CZ-CE3 4.19Å; E471-W475 PolarHBondContact O-N 2.88Å; E472-W475 PolarHBondContact O-N 3.32Å; W475-L477 VanDerWaalsContact C-N 3.31Å; W475-L477 PolarHBondContact O-N 3.04Å; W475-L478 HydrophobicContact CE3-CD2 4.13Å; W475-L478 HydrophobicContact CH2-CD2 4.45Å; W475-L478 HydrophobicContact CZ3-CD2 3.65Å; W475-L478 PolarHBondContact O-N 3.15Å; W475-F479 HydrophobicContact CD2-CB 4.05Å; W475-F479 AromaticContact CE2-CG 3.89Å; W475-F479 HydrophobicContact CE3-CB 4.39Å; W475-F479 HydrophobicContact CH2-CB 4.15Å; W475-F479 AromaticContact CH2-CD2 3.87Å; W475-F479 HydrophobicContact CH2-CD2 3.87Å; W475-F479 HydrophobicContact CH2-CG 4.24Å; W475-F479 HydrophobicContact CZ2-CB 3.79Å; W475-F479 HydrophobicContact CZ2-CD1 4.36Å; W475-F479 AromaticContact CZ2-CD2 3.52Å; W475-F479 HydrophobicContact CZ2-CD2 3.52Å; W475-F479 HydrophobicContact CZ2-CE2 4.15Å; W475-F479 AromaticContact CZ2-CG 3.64Å; W475-F479 HydrophobicContact CZ2-CG 3.64Å; W475-F479 HydrophobicContact CZ3-CB 4.44Å; W475-F479 WeakPolarHBondContact O-CB 3.32Å; W475-F479 PolarHBondContact O-N 3.44Å
476L96.8Very high95.4Very high8 Ų821.7 Ų21.74%0.04212%0.115CC..Hα-helixtrans-57.2-45177.5177.7150.6000111.6A56 L59 E472 G473 L478 N480 Y481 D522A56-L476 HydrophobicContact CB-CD1 3.44Å; A56-L476 VanDerWaalsContact CB-CD1 3.44Å; L59-L476 HydrophobicContact CD1-CB 4.01Å; L59-L476 HydrophobicContact CD1-CD1 4.23Å; L59-L476 HydrophobicContact CD1-CG 4.19Å; E472-L476 VanDerWaalsContact O-CB 3.22Å; E472-L476 WeakPolarHBondContact O-CB 3.07Å; E472-L476 PolarHBondContact O-N 3.01Å; G473-L476 PolarHBondContact O-N 3.15Å; L476-L478 VanDerWaalsContact C-N 3.34Å; L476-L478 PolarHBondContact O-N 3.32Å; L476-N480 VanDerWaalsContact O-CB 3.26Å; L476-N480 WeakPolarHBondContact O-CB 3.39Å; L476-N480 PolarHBondContact O-N 3.29Å; L476-Y481 HydrophobicContact CD2-CD2 4.49Å; L476-Y481 HydrophobicContact CD2-CE2 3.84Å; L476-D522 HydrophobicContact CD2-CB 3.55Å; L476-D522 WeakPolarHBondContact CD2-OD2 3.17Å
477L97.5Very high95.2Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-62.2-42.4-179.1-74.4168.3000111.8G473 E474 W475 Y481 L482 L519 D522 F523 Y526 L554G473-L477 WeakPolarHBondContact O-CB 3.33Å; G473-L477 WeakPolarHBondContact O-CD1 3.21Å; G473-L477 WeakPolarHBondContact O-CG 3.37Å; G473-L477 PolarHBondContact O-N 3.47Å; E474-L477 PolarHBondContact O-N 3.22Å; W475-L477 VanDerWaalsContact C-N 3.31Å; W475-L477 PolarHBondContact O-N 3.04Å; L477-Y481 HydrophobicContact CD2-CD2 4.3Å; L477-Y481 WeakPolarHBondContact O-CB 3.4Å; L477-Y481 PolarHBondContact O-N 2.88Å; L477-L482 PolarHBondContact O-N 3.01Å; L477-L519 HydrophobicContact CD2-CD1 3.99Å; L477-D522 HydrophobicContact CD2-CB 4.47Å; L477-F523 HydrophobicContact CD2-CB 4.2Å; L477-Y526 HydrophobicContact CD1-CD1 3.49Å; L477-Y526 VanDerWaalsContact CD1-CD1 3.49Å; L477-Y526 HydrophobicContact CD1-CD2 4.46Å; L477-Y526 HydrophobicContact CD1-CE1 4.08Å; L477-Y526 HydrophobicContact CD1-CG 3.71Å; L477-L554 HydrophobicContact CB-CD1 4.08Å; L477-L554 HydrophobicContact CD1-CD1 3.85Å; L477-L554 HydrophobicContact CD2-CD1 3.92Å; L477-L554 HydrophobicContact CG-CD1 4.16Å
478L97Very high95.1Very high0 Ų021.3 Ų21.30%011%0.108CC..Iπ-helixtrans-72.1-48.8178.1-175.7137.1000112.6F119 V122 L123 E474 W475 L476 L482 I483 L550F119-L478 HydrophobicContact CD1-CB 4.44Å; F119-L478 HydrophobicContact CD1-CD1 3.42Å; F119-L478 VanDerWaalsContact CD1-CD1 3.42Å; F119-L478 HydrophobicContact CD1-CG 4.38Å; F119-L478 HydrophobicContact CE1-CB 3.88Å; F119-L478 HydrophobicContact CE1-CD1 3.73Å; F119-L478 HydrophobicContact CE1-CG 4.3Å; F119-L478 HydrophobicContact CG-CD1 4.35Å; V122-L478 HydrophobicContact CB-CD1 3.89Å; V122-L478 HydrophobicContact CG1-CD1 3.91Å; V122-L478 HydrophobicContact CG1-CG 4.44Å; V122-L478 HydrophobicContact CG2-CD1 4.25Å; V122-L478 HydrophobicContact CG2-CD2 4.33Å; L123-L478 HydrophobicContact CD1-CD1 4.36Å; L123-L478 HydrophobicContact CD2-CD1 4.41Å; L123-L478 HydrophobicContact CG-CD1 4.15Å; E474-L478 PolarHBondContact O-N 3.06Å; W475-L478 HydrophobicContact CE3-CD2 4.13Å; W475-L478 HydrophobicContact CH2-CD2 4.45Å; W475-L478 HydrophobicContact CZ3-CD2 3.65Å; W475-L478 PolarHBondContact O-N 3.15Å; L476-L478 VanDerWaalsContact C-N 3.34Å; L476-L478 PolarHBondContact O-N 3.32Å; L478-L482 HydrophobicContact CB-CD1 4.44Å; L478-L482 HydrophobicContact CD1-CD1 4.43Å; L478-L482 HydrophobicContact CG-CD1 4.41Å; L478-L482 PolarHBondContact O-N 3.37Å; L478-I483 HydrophobicContact CD2-CD1 3.46Å; L478-I483 VanDerWaalsContact CD2-CD1 3.46Å; L478-I483 HydrophobicContact CD2-CG1 3.98Å; L478-I483 HydrophobicContact CG-CD1 4.43Å; L478-I483 HydrophobicContact CG-CG1 4.46Å; L478-I483 PolarHBondContact O-N 2.85Å; L478-L550 HydrophobicContact CB-CD1 4.21Å; L478-L550 HydrophobicContact CD1-CD1 4.47Å
479F97.1Very high95Very high0 Ų020.7 Ų20.70%010%0.103CC..Iπ-helixtrans-74.4-33.9-171.7-175.8-117.2000114I13 K52 E53 L59 D63 F64 L97 W475 I483 P484I13-F479 HydrophobicContact CD1-CD2 4.33Å; I13-F479 HydrophobicContact CD1-CE2 3.85Å; I13-F479 HydrophobicContact CD1-CZ 4.45Å; K52-F479 HydrophobicContact CD-CE1 4.18Å; K52-F479 HydrophobicContact CD-CZ 4.05Å; K52-F479 VanDerWaalsContact CE-O 3.26Å; K52-F479 WeakPolarHBondContact CE-O 3.15Å; K52-F479 HydrophobicContact CG-CE1 3.83Å; K52-F479 HydrophobicContact CG-CZ 3.8Å; E53-F479 WeakPolarHBondContact O-CE1 3.46Å; L59-F479 HydrophobicContact CD2-CD1 3.71Å; L59-F479 HydrophobicContact CD2-CE1 3.79Å; D63-F479 HydrophobicContact CB-CE1 4.21Å; D63-F479 HydrophobicContact CB-CZ 3.98Å; F64-F479 HydrophobicContact CE1-CZ 4.43Å; F64-F479 HydrophobicContact CE2-CE2 4.03Å; F64-F479 AromaticContact CE2-CZ 3.86Å; F64-F479 HydrophobicContact CE2-CZ 3.86Å; F64-F479 AromaticContact CZ-CE2 3.97Å; F64-F479 HydrophobicContact CZ-CE2 3.97Å; F64-F479 AromaticContact CZ-CZ 3.8Å; F64-F479 HydrophobicContact CZ-CZ 3.8Å; L97-F479 HydrophobicContact CD1-CD2 4.35Å; L97-F479 HydrophobicContact CD1-CE2 3.74Å; W475-F479 HydrophobicContact CD2-CB 4.05Å; W475-F479 AromaticContact CE2-CG 3.89Å; W475-F479 HydrophobicContact CE3-CB 4.39Å; W475-F479 HydrophobicContact CH2-CB 4.15Å; W475-F479 AromaticContact CH2-CD2 3.87Å; W475-F479 HydrophobicContact CH2-CD2 3.87Å; W475-F479 HydrophobicContact CH2-CG 4.24Å; W475-F479 HydrophobicContact CZ2-CB 3.79Å; W475-F479 HydrophobicContact CZ2-CD1 4.36Å; W475-F479 AromaticContact CZ2-CD2 3.52Å; W475-F479 HydrophobicContact CZ2-CD2 3.52Å; W475-F479 HydrophobicContact CZ2-CE2 4.15Å; W475-F479 AromaticContact CZ2-CG 3.64Å; W475-F479 HydrophobicContact CZ2-CG 3.64Å; W475-F479 HydrophobicContact CZ3-CB 4.44Å; W475-F479 WeakPolarHBondContact O-CB 3.32Å; W475-F479 PolarHBondContact O-N 3.44Å; F479-I483 HydrophobicContact CD2-CD1 4.37Å; F479-P484 WeakPolarHBondContact O-CD 3.4Å
480N96.8Very high94.8Very high18 Ų1820.1 Ų20.110%0.09610%0.1CC..Iπ-helixtrans-93.4-23.2-178.7-69.7-11.1000114K52 S54 L476 P484K52-N480 PolarHBondContact NZ-OD1 2.94Å; S54-N480 PolarHBondContact O-ND2 3.37Å; L476-N480 VanDerWaalsContact O-CB 3.26Å; L476-N480 WeakPolarHBondContact O-CB 3.39Å; L476-N480 PolarHBondContact O-N 3.29Å; N480-P484 VanDerWaalsContact C-CG 3.49Å; N480-P484 WeakPolarHBondContact O-CG 3.36Å
481Y97.4Very high94.5Very high14 Ų1415.3 Ų15.36%0.0558%0.08CC..Iπ-helixtrans-119.8-56-172.3-56.3-77.4000112.9L476 L477 F485 F515 S518 L519 D522L476-Y481 HydrophobicContact CD2-CD2 4.49Å; L476-Y481 HydrophobicContact CD2-CE2 3.84Å; L477-Y481 HydrophobicContact CD2-CD2 4.3Å; L477-Y481 WeakPolarHBondContact O-CB 3.4Å; L477-Y481 PolarHBondContact O-N 2.88Å; Y481-F485 VanDerWaalsContact O-CB 3.3Å; Y481-F485 WeakPolarHBondContact O-CB 3.36Å; Y481-F485 PolarHBondContact O-N 2.88Å; Y481-F515 AromaticContact CD1-CD2 3.91Å; Y481-F515 HydrophobicContact CD1-CD2 3.91Å; Y481-F515 AromaticContact CD1-CE2 3.53Å; Y481-F515 HydrophobicContact CD1-CE2 3.53Å; Y481-F515 AromaticContact CD1-CZ 3.95Å; Y481-F515 HydrophobicContact CD1-CZ 3.95Å; Y481-F515 HydrophobicContact CE1-CD2 4.43Å; Y481-F515 HydrophobicContact CE1-CE2 4.46Å; Y481-F515 HydrophobicContact CG-CE2 4.3Å; Y481-S518 WeakPolarHBondContact OH-CB 3.47Å; Y481-S518 PolarHBondContact OH-O 3.4Å; Y481-L519 HydrophobicContact CD1-CB 3.67Å; Y481-L519 HydrophobicContact CD1-CD1 4.03Å; Y481-L519 HydrophobicContact CD1-CG 4.36Å; Y481-L519 HydrophobicContact CD2-CD1 3.83Å; Y481-L519 VanDerWaalsContact CE1-CA 3.46Å; Y481-L519 HydrophobicContact CE1-CB 3.71Å; Y481-L519 VanDerWaalsContact CE1-N 3.31Å; Y481-L519 HydrophobicContact CE2-CD1 4.35Å; Y481-L519 HydrophobicContact CG-CB 4.2Å; Y481-L519 HydrophobicContact CG-CD1 3.64Å; Y481-L519 HydrophobicContact CG-CG 4.45Å; Y481-L519 PolarHBondContact OH-N 3.12Å; Y481-D522 HydrophobicContact CE2-CB 4.04Å; Y481-D522 WeakPolarHBondContact CE2-OD2 3.46Å; Y481-D522 PolarHBondContact OH-OD2 3.44Å
482L96.9Very high94.1Very high0 Ų011 Ų110%06%0.061CC..Iπ-helixtrans-65.6-55.4-177.4-74.8167000112.8L123 L131 L477 L478 F485 L550 A553 L554 L557L123-L482 HydrophobicContact CD2-CD1 4.43Å; L131-L482 HydrophobicContact CD2-CD2 4.38Å; L477-L482 PolarHBondContact O-N 3.01Å; L478-L482 HydrophobicContact CB-CD1 4.44Å; L478-L482 HydrophobicContact CD1-CD1 4.43Å; L478-L482 HydrophobicContact CG-CD1 4.41Å; L478-L482 PolarHBondContact O-N 3.37Å; L482-F485 PolarHBondContact O-N 3.45Å; L482-L550 HydrophobicContact CD1-CD1 3.66Å; L482-A553 HydrophobicContact CD1-CB 3.9Å; L482-A553 HydrophobicContact CD2-CB 3.8Å; L482-L554 HydrophobicContact CD1-CD2 4.29Å; L482-L554 HydrophobicContact CD2-CD2 4.35Å; L482-L554 HydrophobicContact CG-CD2 4Å; L482-L557 HydrophobicContact CD2-CB 4.28Å; L482-L557 HydrophobicContact CD2-CD1 3.65Å; L482-L557 HydrophobicContact CG-CD1 4.19Å
483I95.7Very high93.7Very high0 Ų09 Ų90%05%0.051CC..THydrogen-bonded Turntrans-58-49.5-176.3-67.5175.5000112.9I13 L97 V122 L478 F479 F485I13-I483 HydrophobicContact CD1-CG2 3.67Å; I13-I483 HydrophobicContact CG1-CG2 3.98Å; L97-I483 HydrophobicContact CD2-CD1 3.75Å; V122-I483 HydrophobicContact CG2-CD1 4.34Å; V122-I483 HydrophobicContact CG2-CG1 4.02Å; L478-I483 HydrophobicContact CD2-CD1 3.46Å; L478-I483 VanDerWaalsContact CD2-CD1 3.46Å; L478-I483 HydrophobicContact CD2-CG1 3.98Å; L478-I483 HydrophobicContact CG-CD1 4.43Å; L478-I483 HydrophobicContact CG-CG1 4.46Å; L478-I483 PolarHBondContact O-N 2.85Å; F479-I483 HydrophobicContact CD2-CD1 4.37Å; I483-F485 VanDerWaalsContact C-N 3.33Å; I483-F485 PolarHBondContact O-N 2.71Å
484P95.1Very high93.1Very high23 Ų2312.4 Ų12.415%0.1496%0.061CC..THydrogen-bonded Turntrans-82.8-2.3-176.132.1-36.2000114.6I13 F479 N480 S486 E487 L488I13-P484 HydrophobicContact CG1-CB 4.08Å; F479-P484 WeakPolarHBondContact O-CD 3.4Å; N480-P484 VanDerWaalsContact C-CG 3.49Å; N480-P484 WeakPolarHBondContact O-CG 3.36Å; P484-S486 PolarHBondContact O-N 2.95Å; P484-E487 PolarHBondContact O-N 2.99Å; P484-E487 VanDerWaalsContact O-N 3.16Å; P484-L488 PolarHBondContact O-N 3.31Å
485F96.1Very high92.5Very high0 Ų013.9 Ų13.90%07%0.072CC..Hα-helixtrans-62.5-42.7-171.8-178.6-118.8000113.3Y130 L131 Y481 L482 I483 E487 L488 L489 F515 L557 R560 A561Y130-F485 WeakPolarHBondContact O-CD1 3.41Å; L131-F485 HydrophobicContact CD2-CD1 3.87Å; L131-F485 HydrophobicContact CD2-CE1 4.27Å; Y481-F485 VanDerWaalsContact O-CB 3.3Å; Y481-F485 WeakPolarHBondContact O-CB 3.36Å; Y481-F485 PolarHBondContact O-N 2.88Å; L482-F485 PolarHBondContact O-N 3.45Å; I483-F485 VanDerWaalsContact C-N 3.33Å; I483-F485 PolarHBondContact O-N 2.71Å; F485-E487 VanDerWaalsContact C-N 3.28Å; F485-E487 PolarHBondContact O-N 3.41Å; F485-L488 HydrophobicContact CD2-CD2 4.34Å; F485-L488 VanDerWaalsContact O-CB 3.32Å; F485-L488 WeakPolarHBondContact O-CB 3.42Å; F485-L488 PolarHBondContact O-N 2.82Å; F485-L488 VanDerWaalsContact O-N 3.14Å; F485-L489 HydrophobicContact CD1-CD1 4.29Å; F485-L489 HydrophobicContact CE1-CD1 3.83Å; F485-L489 HydrophobicContact CE1-CG 4.35Å; F485-L489 HydrophobicContact CE2-CD2 4.23Å; F485-L489 HydrophobicContact CE2-CG 4.42Å; F485-L489 HydrophobicContact CZ-CD1 4.08Å; F485-L489 HydrophobicContact CZ-CD2 4Å; F485-L489 HydrophobicContact CZ-CG 4.2Å; F485-L489 PolarHBondContact O-N 3.47Å; F485-L489 VanDerWaalsContact O-N 3.11Å; F485-F515 HydrophobicContact CB-CZ 4.35Å; F485-F515 HydrophobicContact CD2-CD1 4.45Å; F485-F515 AromaticContact CD2-CE1 3.64Å; F485-F515 HydrophobicContact CD2-CE1 3.64Å; F485-F515 HydrophobicContact CD2-CE2 4.33Å; F485-F515 AromaticContact CD2-CZ 3.57Å; F485-F515 HydrophobicContact CD2-CZ 3.57Å; F485-F515 AromaticContact CE2-CE1 3.91Å; F485-F515 HydrophobicContact CE2-CE1 3.91Å; F485-F515 HydrophobicContact CE2-CZ 4.32Å; F485-F515 HydrophobicContact CG-CZ 4.3Å; F485-L557 HydrophobicContact CB-CD1 3.95Å; F485-L557 HydrophobicContact CD1-CD1 4.3Å; F485-L557 HydrophobicContact CD1-CG 4.2Å; F485-L557 HydrophobicContact CD2-CD1 4.44Å; F485-L557 HydrophobicContact CD2-CG 4.32Å; F485-L557 HydrophobicContact CE1-CG 4.46Å; F485-L557 HydrophobicContact CG-CD1 3.99Å; F485-L557 HydrophobicContact CG-CG 4.13Å; F485-R560 HydrophobicContact CE1-CB 3.98Å; F485-R560 HydrophobicContact CZ-CB 4.14Å; F485-A561 HydrophobicContact CE2-CB 3.86Å; F485-A561 HydrophobicContact CZ-CB 3.95Å
486S93.5Very high91.7Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-58-42.5175.167.20000112.1R12 Y130 K132 P484 L488 L489 D490R12-S486 PolarHBondContact NE-OG 3.19Å; R12-S486 PolarHBondContact NH1-OG 3.1Å; R12-S486 PolarHBondContact NH2-OG 3.39Å; Y130-S486 PolarHBondContact O-N 3.4Å; K132-S486 WeakPolarHBondContact O-CB 3.38Å; P484-S486 PolarHBondContact O-N 2.95Å; S486-L488 PolarHBondContact O-N 3.18Å; S486-L489 WeakPolarHBondContact O-CB 3.5Å; S486-L489 PolarHBondContact O-N 2.77Å; S486-L489 VanDerWaalsContact O-N 3.07Å; S486-D490 PolarHBondContact O-N 3.29Å; S486-D490 VanDerWaalsContact O-N 3.13Å
487E91.9Very high90.6Very high23 Ų2317.8 Ų17.811%0.1079%0.093CC..Hα-helixtrans-69.2-28.3-178.5-57.8178.3141.200111R12 I13 T14 P484 F485 Q491R12-E487 WeakPolarHBondContact CB-OE1 3.49Å; I13-E487 WeakPolarHBondContact CB-OE2 3.13Å; I13-E487 PolarHBondContact N-OE1 3.44Å; I13-E487 VanDerWaalsContact N-OE1 3.13Å; I13-E487 PolarHBondContact N-OE2 3.42Å; T14-E487 VanDerWaalsContact CB-OE1 3.22Å; T14-E487 WeakPolarHBondContact CB-OE1 3.38Å; T14-E487 VanDerWaalsContact CG2-OE1 3.27Å; T14-E487 WeakPolarHBondContact CG2-OE1 3.48Å; T14-E487 PolarHBondContact N-OE1 3.48Å; T14-E487 PolarHBondContact OG1-OE1 3.27Å; P484-E487 PolarHBondContact O-N 2.99Å; P484-E487 VanDerWaalsContact O-N 3.16Å; F485-E487 VanDerWaalsContact C-N 3.28Å; F485-E487 PolarHBondContact O-N 3.41Å; E487-Q491 VanDerWaalsContact O-CG 3.27Å; E487-Q491 WeakPolarHBondContact O-CG 3.41Å
488L93.8Very high88.9Confident19 Ų1921.4 Ų21.410%0.09912%0.117CC..Hα-helixtrans-66.7-40.7170.7173.162.3000111.2P484 F485 S486 D490 Q511 I512 F515P484-L488 PolarHBondContact O-N 3.31Å; F485-L488 HydrophobicContact CD2-CD2 4.34Å; F485-L488 VanDerWaalsContact O-CB 3.32Å; F485-L488 WeakPolarHBondContact O-CB 3.42Å; F485-L488 PolarHBondContact O-N 2.82Å; F485-L488 VanDerWaalsContact O-N 3.14Å; S486-L488 PolarHBondContact O-N 3.18Å; L488-D490 VanDerWaalsContact C-N 3.34Å; L488-D490 PolarHBondContact O-N 2.81Å; L488-Q511 HydrophobicContact CD1-CB 3.57Å; L488-I512 HydrophobicContact CD2-CD1 3.83Å; L488-I512 HydrophobicContact CG-CD1 3.9Å; L488-F515 HydrophobicContact CD2-CB 3.73Å; L488-F515 HydrophobicContact CD2-CD1 4.04Å; L488-F515 HydrophobicContact CD2-CD2 3.55Å; L488-F515 HydrophobicContact CD2-CE2 4.08Å; L488-F515 HydrophobicContact CD2-CG 3.51Å
489L91.9Very high86.8Confident2 Ų230.3 Ų30.31%0.0116%0.159CC..Hα-helixtrans-66-34.7177.5-62.4175.5000112.5P133 L177 Q181 F485 S486 Q491 I512 T564P133-L489 HydrophobicContact CB-CB 4.45Å; P133-L489 HydrophobicContact CG-CB 4.02Å; P133-L489 HydrophobicContact CG-CD1 4.1Å; L177-L489 HydrophobicContact CD2-CD2 3.85Å; Q181-L489 VanDerWaalsContact CD-O 3.22Å; Q181-L489 PolarHBondContact NE2-O 2.91Å; Q181-L489 VanDerWaalsContact NE2-O 3.1Å; F485-L489 HydrophobicContact CD1-CD1 4.29Å; F485-L489 HydrophobicContact CE1-CD1 3.83Å; F485-L489 HydrophobicContact CE1-CG 4.35Å; F485-L489 HydrophobicContact CE2-CD2 4.23Å; F485-L489 HydrophobicContact CE2-CG 4.42Å; F485-L489 HydrophobicContact CZ-CD1 4.08Å; F485-L489 HydrophobicContact CZ-CD2 4Å; F485-L489 HydrophobicContact CZ-CG 4.2Å; F485-L489 PolarHBondContact O-N 3.47Å; F485-L489 VanDerWaalsContact O-N 3.11Å; S486-L489 WeakPolarHBondContact O-CB 3.5Å; S486-L489 PolarHBondContact O-N 2.77Å; S486-L489 VanDerWaalsContact O-N 3.07Å; L489-Q491 VanDerWaalsContact C-N 3.29Å; L489-Q491 PolarHBondContact O-N 3.39Å; L489-I512 HydrophobicContact CD2-CD1 4.15Å; L489-T564 HydrophobicContact CD2-CG2 4.25Å
490D89.1Confident84.6Confident1 Ų134.2 Ų34.21%0.00520%0.199CC..THydrogen-bonded Turntrans-72.8-15.8-177.5-61.5-47.7000114.4P133 S134 Q181 S486 L488 S492 G493 Q494P133-D490 WeakPolarHBondContact CB-OD1 3.34Å; S134-D490 WeakPolarHBondContact CB-OD2 3.31Å; S134-D490 PolarHBondContact N-OD1 2.89Å; S134-D490 PolarHBondContact N-OD2 2.89Å; S134-D490 PolarHBondContact OG-OD2 2.79Å; Q181-D490 PolarHBondContact OE1-O 2.64Å; S486-D490 PolarHBondContact O-N 3.29Å; S486-D490 VanDerWaalsContact O-N 3.13Å; L488-D490 VanDerWaalsContact C-N 3.34Å; L488-D490 PolarHBondContact O-N 2.81Å; D490-S492 VanDerWaalsContact C-N 3.27Å; D490-S492 PolarHBondContact O-N 3.32Å; D490-G493 PolarHBondContact O-N 2.91Å; D490-Q494 VanDerWaalsContact O-CG 3.32Å; D490-Q494 WeakPolarHBondContact O-CG 3.48Å; D490-Q494 PolarHBondContact O-N 3.13Å
491Q86.8Confident82.7Confident53 Ų5335.4 Ų35.425%0.24822%0.215CC..Hα-helixtrans-62.3-34.1-170.9-63.7-178.513.700113E487 L489 S495E487-Q491 VanDerWaalsContact O-CG 3.27Å; E487-Q491 WeakPolarHBondContact O-CG 3.41Å; L489-Q491 VanDerWaalsContact C-N 3.29Å; L489-Q491 PolarHBondContact O-N 3.39Å; Q491-S495 PolarHBondContact O-N 2.95Å; Q491-S495 PolarHBondContact O-OG 3.01Å
492S84.1Confident81.5Confident5 Ų536.1 Ų36.14%0.03523%0.227CC..Hα-helixtrans-71.1-44.7-175.9-58.10000112.2M174 D490 S495M174-S492 WeakPolarHBondContact CE-OG 3.36Å; D490-S492 VanDerWaalsContact C-N 3.27Å; D490-S492 PolarHBondContact O-N 3.32Å; S492-S495 PolarHBondContact O-N 3.11Å
493G82.8Confident80.9Confident0 Ų036.3 Ų36.30%023%0.229CC..Hα-helixtrans-66.9-42.2176.800000111.9R137 D490 S495 L496 D497R137-G493 PolarHBondContact NH1-O 2.81Å; R137-G493 VanDerWaalsContact NH1-O 3.13Å; D490-G493 PolarHBondContact O-N 2.91Å; G493-S495 PolarHBondContact O-N 3.46Å; G493-S495 VanDerWaalsContact O-N 3.15Å; G493-L496 WeakPolarHBondContact O-CB 3.33Å; G493-L496 PolarHBondContact O-N 3.21Å; G493-D497 PolarHBondContact O-N 3.16Å
494Q83.1Confident80.6Confident94 Ų9443.1 Ų43.144%0.43926%0.255SS..Hα-helixtrans-55.7-35176.3-71.8171.119.500112.5D490 L496 C498D490-Q494 VanDerWaalsContact O-CG 3.32Å; D490-Q494 WeakPolarHBondContact O-CG 3.48Å; D490-Q494 PolarHBondContact O-N 3.13Å; Q494-L496 VanDerWaalsContact C-N 3.3Å; Q494-L496 PolarHBondContact O-N 3.16Å; Q494-C498 PolarHBondContact O-SG 3.4Å
495S82.8Confident80.5Confident31 Ų3142.8 Ų42.822%0.21725%0.252CS..Hα-helixtrans-72-23.5179.4-55.30000113.1Q491 S492 G493 V505Q491-S495 PolarHBondContact O-N 2.95Å; Q491-S495 PolarHBondContact O-OG 3.01Å; S492-S495 PolarHBondContact O-N 3.11Å; G493-S495 PolarHBondContact O-N 3.46Å; G493-S495 VanDerWaalsContact O-N 3.15Å; S495-V505 WeakPolarHBondContact O-CG2 3.22Å
496L80.5Confident80.2Confident3 Ų347.8 Ų47.82%0.01628%0.279CS..Hα-helixtrans-81.3-39.4178.1-68.2175.6000112V141 L178 L313 G493 Q494 C498 I507V141-L496 HydrophobicContact CG2-CD1 4.47Å; L178-L496 HydrophobicContact CD1-CD1 3.87Å; L178-L496 HydrophobicContact CD2-CD1 3.55Å; L178-L496 HydrophobicContact CG-CD1 4.38Å; L313-L496 HydrophobicContact CD1-CD2 4.13Å; L313-L496 HydrophobicContact CD2-CD2 4.31Å; G493-L496 WeakPolarHBondContact O-CB 3.33Å; G493-L496 PolarHBondContact O-N 3.21Å; Q494-L496 VanDerWaalsContact C-N 3.3Å; Q494-L496 PolarHBondContact O-N 3.16Å; L496-C498 PolarHBondContact O-N 2.69Å; L496-I507 HydrophobicContact CD2-CD1 3.98Å; L496-I507 HydrophobicContact CG-CD1 4.38Å
497D71.9Confident80.1Confident87 Ų8747.8 Ų47.847%0.46528%0.279SS..SBendtrans-70.3-11.9-179.5-70.115.3000114R137 G493 E499R137-D497 IonicContact CZ-OD2 2.87Å; R137-D497 IonicContact NH1-OD1 3.82Å; R137-D497 PolarHBondContact NH1-OD1 3.28Å; R137-D497 IonicContact NH1-OD2 2.88Å; R137-D497 PolarHBondContact NH1-OD2 3.38Å; R137-D497 IonicContact NH2-OD2 3.66Å; G493-D497 PolarHBondContact O-N 3.16Å; D497-E499 PolarHBondContact O-N 2.83Å
498C62.5Low80.1Confident76 Ų7652 Ų5251%0.51430%0.297SS..  trans-59.997.4-178.6-75.40000111.6R342 Q494 L496R342-C498 PolarHBondContact NH2-O 2.96Å; Q494-C498 PolarHBondContact O-SG 3.4Å; L496-C498 PolarHBondContact O-N 2.69Å
499E52.6Low79.9Confident187 Ų18751.2 Ų51.287%0.87429%0.292SS*.THydrogen-bonded Turntrans-65.5130.9171.2-64-170.3157.200109.8D497D497-E499 PolarHBondContact O-N 2.83Å
500G51.4Low80.1Confident83 Ų8351.5 Ų51.586%0.85629%0.294SS*.THydrogen-bonded Turntrans98.8-3.4177.200000116.6
501G57.8Low80.3Confident42 Ų4254.1 Ų54.143%0.43331%0.306SS..  trans-75.2144.3166.800000111.7R342R342-G501 PolarHBondContact NH1-O 3.34Å
502G71.6Confident80.8Confident29 Ų2951.8 Ų51.830%0.29930%0.295SS..  trans-63.4-171.4172.500000113.5L275 R342 R504L275-G502 WeakPolarHBondContact O-CA 3.27Å; R342-G502 PolarHBondContact NH1-O 3.33Å; R342-G502 VanDerWaalsContact NH1-O 3.14Å; G502-R504 PolarHBondContact O-N 3.4Å; G502-R504 VanDerWaalsContact O-N 3.16Å
503A83.6Confident81.3Confident5 Ų551.6 Ų51.64%0.04129%0.294CS..SBendtrans-55.3-33.1-178.200000114.2L275 Y277 R342 H343L275-A503 PolarHBondContact O-N 3.18Å; Y277-A503 HydrophobicContact CD1-CB 4.41Å; Y277-A503 HydrophobicContact CD2-CB 3.88Å; Y277-A503 HydrophobicContact CE1-CB 4.23Å; Y277-A503 HydrophobicContact CE2-CB 3.67Å; Y277-A503 HydrophobicContact CG-CB 4.24Å; R342-A503 CarbonylContact C-O 3.5Å; R342-A503 WeakPolarHBondContact CA-O 3.43Å; H343-A503 PolarHBondContact N-O 2.84Å
504R90.8Very high81.9Confident143 Ų14355.1 Ų55.154%0.5431%0.309SS..BIsolated β-bridgetrans-83.3137.2178.7-68.6-178178.7160.9-2112.2E321 H343 V345 G502E321-R504 IonicContact OE1-CZ 2.78Å; E321-R504 IonicContact OE1-NE 3.86Å; E321-R504 PolarHBondContact OE1-NE 3.32Å; E321-R504 IonicContact OE1-NH2 3.33Å; E321-R504 PolarHBondContact OE1-NH2 3.38Å; E321-R504 IonicContact OE2-CZ 3.57Å; E321-R504 IonicContact OE2-NE 3.54Å; E321-R504 IonicContact OE2-NH2 3.56Å; E321-R504 PolarHBondContact OE2-NH2 3.28Å; H343-R504 WeakPolarHBondContact O-CA 3.47Å; V345-R504 HydrophobicContact CG2-CG 4.23Å; G502-R504 PolarHBondContact O-N 3.4Å; G502-R504 VanDerWaalsContact O-N 3.16Å
505V91.6Very high82.6Confident16 Ų1651.7 Ų51.710%0.09729%0.293CS..  trans-117.3141.9172.166.60000110.6L313 R342 H343 L344 S495 I507L313-V505 HydrophobicContact CD1-CG1 3.58Å; R342-V505 HydrophobicContact CB-CG1 4.31Å; H343-V505 PolarHBondContact O-N 3.48Å; L344-V505 HydrophobicContact CB-CG1 4.48Å; L344-V505 HydrophobicContact CD1-CG1 4.44Å; S495-V505 WeakPolarHBondContact O-CG2 3.22Å; V505-I507 HydrophobicContact CG1-CD1 4.16Å; V505-I507 HydrophobicContact CG1-CG1 4.17Å; V505-I507 HydrophobicContact CG2-CD1 4.45Å; V505-I507 HydrophobicContact CG2-CG1 3.9Å
506N89.8Confident83.2Confident104 Ų10450.2 Ų50.256%0.55628%0.283SS*.  trans-109.898.8175.8-173-13.7000109.2H407H407-N506 PolarHBondContact CE1-OD1 3.27Å
507I91.6Very high84Confident0 Ų050.2 Ų50.20%028%0.283CS..  trans-99.3135.4176.8-53.9177000109.5M174 L313 L344 H407 L496 V505 T509M174-I507 HydrophobicContact CE-CG2 4.18Å; M174-I507 HydrophobicContact SD-CB 4.28Å; M174-I507 HydrophobicContact SD-CD1 3.94Å; M174-I507 HydrophobicContact SD-CG2 3.68Å; L313-I507 HydrophobicContact CD2-CD1 4.04Å; L344-I507 HydrophobicContact CD1-CB 3.97Å; L344-I507 HydrophobicContact CD1-CD1 4.25Å; L344-I507 HydrophobicContact CD1-CG1 4.05Å; H407-I507 PolarHBondContact CE1-N 3.46Å; H407-I507 VanDerWaalsContact CE1-N 3.33Å; H407-I507 PolarHBondContact CE1-O 2.79Å; H407-I507 PolarHBondContact ND1-O 3.35Å; L496-I507 HydrophobicContact CD2-CD1 3.98Å; L496-I507 HydrophobicContact CG-CD1 4.38Å; V505-I507 HydrophobicContact CG1-CD1 4.16Å; V505-I507 HydrophobicContact CG1-CG1 4.17Å; V505-I507 HydrophobicContact CG2-CD1 4.45Å; V505-I507 HydrophobicContact CG2-CG1 3.9Å; I507-T509 HydrophobicContact CB-CG2 4.16Å; I507-T509 HydrophobicContact CG2-CG2 4.09Å; I507-T509 PolarHBondContact O-N 3.38Å
508K91.6Very high85.1Confident113 Ų11348.4 Ų48.449%0.49128%0.277SS..  trans-79.159.8-179.1-56.1-177.5-176.4166.70112.9E510 Q511K508-E510 VanDerWaalsContact C-OE2 3.3Å; K508-E510 WeakPolarHBondContact CA-OE2 3.05Å; K508-E510 PolarHBondContact O-N 3.37Å; K508-E510 VanDerWaalsContact O-N 3.09Å; K508-Q511 HydrophobicContact CB-CG 3.51Å; K508-Q511 HydrophobicContact CD-CG 4.18Å; K508-Q511 HydrophobicContact CG-CG 4.48Å; K508-Q511 WeakPolarHBondContact O-CG 3.47Å; K508-Q511 PolarHBondContact O-N 3.4Å
509T91.2Very high86.7Confident1 Ų144.8 Ų44.81%0.00625%0.252CS..THydrogen-bonded Turntrans-60-20.5-174.860.20000114.1L170 H173 M174 L344 I507L170-T509 HydrophobicContact CD2-CG2 3.89Å; L170-T509 WeakPolarHBondContact CD2-OG1 3.3Å; H173-T509 PolarHBondContact NE2-O 3.45Å; M174-T509 HydrophobicContact CE-CG2 4.29Å; M174-T509 HydrophobicContact CG-CG2 4.39Å; M174-T509 HydrophobicContact SD-CG2 3.72Å; L344-T509 HydrophobicContact CD2-CG2 4.19Å; I507-T509 HydrophobicContact CB-CG2 4.16Å; I507-T509 HydrophobicContact CG2-CG2 4.09Å; I507-T509 PolarHBondContact O-N 3.38Å
510E94.8Very high88.8Confident8 Ų835.9 Ų35.94%0.03721%0.211CC..THydrogen-bonded Turntrans-87.4-8.5-17685-66.5171.500114L403 V406 K508 I512 C513 K514L403-E510 VanDerWaalsContact O-CA 3.23Å; L403-E510 WeakPolarHBondContact O-CA 3.32Å; L403-E510 WeakPolarHBondContact O-CB 3.23Å; V406-E510 HydrophobicContact CG2-CG 4.12Å; K508-E510 VanDerWaalsContact C-OE2 3.3Å; K508-E510 WeakPolarHBondContact CA-OE2 3.05Å; K508-E510 PolarHBondContact O-N 3.37Å; K508-E510 VanDerWaalsContact O-N 3.09Å; E510-I512 PolarHBondContact O-N 2.92Å; E510-C513 PolarHBondContact O-N 3.08Å; E510-K514 HydrophobicContact CG-CD 3.82Å; E510-K514 HydrophobicContact CG-CG 4.41Å; E510-K514 WeakPolarHBondContact O-CG 3.4Å; E510-K514 PolarHBondContact O-N 2.89Å; E510-K514 IonicContact OE1-NZ 3.64Å; E510-K514 PolarHBondContact OE1-NZ 3.22Å
511Q94.3Very high90.9Very high56 Ų5636.8 Ų36.826%0.26219%0.191SC..Hα-helixtrans-68-36.9-169.8-67.2-70.1-39.100112.5L488 K508 C513 K514 F515L488-Q511 HydrophobicContact CD1-CB 3.57Å; K508-Q511 HydrophobicContact CB-CG 3.51Å; K508-Q511 HydrophobicContact CD-CG 4.18Å; K508-Q511 HydrophobicContact CG-CG 4.48Å; K508-Q511 WeakPolarHBondContact O-CG 3.47Å; K508-Q511 PolarHBondContact O-N 3.4Å; Q511-C513 PolarHBondContact O-N 3.45Å; Q511-K514 PolarHBondContact O-N 2.98Å; Q511-F515 WeakPolarHBondContact O-CB 3.44Å; Q511-F515 PolarHBondContact O-N 3.5Å
512I95.9Very high92.7Very high5 Ų537.2 Ų37.23%0.02618%0.184CC..Hα-helixtrans-61.8-45.2176.5-63-65.6000111L177 L488 L489 E510 F515 L516 A561 L565L177-I512 HydrophobicContact CD1-CG1 4.45Å; L177-I512 HydrophobicContact CD2-CD1 4.43Å; L177-I512 HydrophobicContact CD2-CG1 4.34Å; L488-I512 HydrophobicContact CD2-CD1 3.83Å; L488-I512 HydrophobicContact CG-CD1 3.9Å; L489-I512 HydrophobicContact CD2-CD1 4.15Å; E510-I512 PolarHBondContact O-N 2.92Å; I512-F515 WeakPolarHBondContact O-CB 3.42Å; I512-F515 PolarHBondContact O-N 2.87Å; I512-L516 HydrophobicContact CG2-CD1 4Å; I512-L516 HydrophobicContact CG2-CG 4.47Å; I512-L516 WeakPolarHBondContact O-CB 3.2Å; I512-L516 WeakPolarHBondContact O-CG 3.4Å; I512-L516 PolarHBondContact O-N 3.29Å; I512-A561 HydrophobicContact CG2-CB 4.42Å; I512-L565 HydrophobicContact CG2-CD1 4.18Å; I512-L565 HydrophobicContact CG2-CG 4.33Å
513C96.2Very high93.9Very high0 Ų035.9 Ų35.90%017%0.169CC..Hα-helixtrans-63.6-45.4177.1-63.10000111.8F400 S404 E510 Q511 F515 L516 V517F400-C513 HydrophobicContact CD1-CB 3.97Å; F400-C513 HydrophobicContact CE1-CB 3.89Å; S404-C513 VanDerWaalsContact OG-CB 3.25Å; S404-C513 WeakPolarHBondContact OG-CB 3.36Å; E510-C513 PolarHBondContact O-N 3.08Å; Q511-C513 PolarHBondContact O-N 3.45Å; C513-F515 VanDerWaalsContact C-N 3.31Å; C513-F515 PolarHBondContact O-N 2.91Å; C513-L516 PolarHBondContact O-N 2.53Å; C513-V517 WeakPolarHBondContact O-CG2 3.35Å; C513-V517 PolarHBondContact O-N 3.05Å
514K95.2Very high94.4Very high75 Ų7536.2 Ų36.233%0.32617%0.172SC..Hα-helixtrans-62.2-39.2176.5-73.1178.4-178.6165.20112.4E510 Q511 S518E510-K514 HydrophobicContact CG-CD 3.82Å; E510-K514 HydrophobicContact CG-CG 4.41Å; E510-K514 WeakPolarHBondContact O-CG 3.4Å; E510-K514 PolarHBondContact O-N 2.89Å; E510-K514 IonicContact OE1-NZ 3.64Å; E510-K514 PolarHBondContact OE1-NZ 3.22Å; Q511-K514 PolarHBondContact O-N 2.98Å; K514-S518 WeakPolarHBondContact O-CB 3.37Å; K514-S518 PolarHBondContact O-N 2.77Å; K514-S518 PolarHBondContact O-OG 3.27Å
515F96.5Very high94.6Very high22 Ų2231.8 Ų31.810%0.09616%0.163CC..Hα-helixtrans-62.7-52.5176.6172.1-93.6000110.6Y481 F485 L488 Q511 I512 C513 V517 S518 L519 L557Y481-F515 AromaticContact CD1-CD2 3.91Å; Y481-F515 HydrophobicContact CD1-CD2 3.91Å; Y481-F515 AromaticContact CD1-CE2 3.53Å; Y481-F515 HydrophobicContact CD1-CE2 3.53Å; Y481-F515 AromaticContact CD1-CZ 3.95Å; Y481-F515 HydrophobicContact CD1-CZ 3.95Å; Y481-F515 HydrophobicContact CE1-CD2 4.43Å; Y481-F515 HydrophobicContact CE1-CE2 4.46Å; Y481-F515 HydrophobicContact CG-CE2 4.3Å; F485-F515 HydrophobicContact CB-CZ 4.35Å; F485-F515 HydrophobicContact CD2-CD1 4.45Å; F485-F515 AromaticContact CD2-CE1 3.64Å; F485-F515 HydrophobicContact CD2-CE1 3.64Å; F485-F515 HydrophobicContact CD2-CE2 4.33Å; F485-F515 AromaticContact CD2-CZ 3.57Å; F485-F515 HydrophobicContact CD2-CZ 3.57Å; F485-F515 AromaticContact CE2-CE1 3.91Å; F485-F515 HydrophobicContact CE2-CE1 3.91Å; F485-F515 HydrophobicContact CE2-CZ 4.32Å; F485-F515 HydrophobicContact CG-CZ 4.3Å; L488-F515 HydrophobicContact CD2-CB 3.73Å; L488-F515 HydrophobicContact CD2-CD1 4.04Å; L488-F515 HydrophobicContact CD2-CD2 3.55Å; L488-F515 HydrophobicContact CD2-CE2 4.08Å; L488-F515 HydrophobicContact CD2-CG 3.51Å; Q511-F515 WeakPolarHBondContact O-CB 3.44Å; Q511-F515 PolarHBondContact O-N 3.5Å; I512-F515 WeakPolarHBondContact O-CB 3.42Å; I512-F515 PolarHBondContact O-N 2.87Å; C513-F515 VanDerWaalsContact C-N 3.31Å; C513-F515 PolarHBondContact O-N 2.91Å; F515-V517 VanDerWaalsContact C-N 3.35Å; F515-V517 PolarHBondContact O-N 3.19Å; F515-S518 PolarHBondContact O-N 2.99Å; F515-L519 HydrophobicContact CE1-CD2 4.38Å; F515-L519 VanDerWaalsContact O-CB 3.31Å; F515-L519 WeakPolarHBondContact O-CB 3.26Å; F515-L519 PolarHBondContact O-N 3.43Å; F515-L557 HydrophobicContact CE1-CD2 3.57Å; F515-L557 HydrophobicContact CE1-CG 4.4Å; F515-L557 HydrophobicContact CZ-CD1 4.15Å; F515-L557 HydrophobicContact CZ-CD2 3.82Å; F515-L557 HydrophobicContact CZ-CG 4.38Å
516L97.1Very high94.8Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-59.1-41.8178.3-79.5171.9000112.8F400 V432 I512 C513 S520 Y558 A561 L562 L565F400-L516 HydrophobicContact CE1-CB 4.28Å; F400-L516 HydrophobicContact CZ-CB 4.07Å; F400-L516 HydrophobicContact CZ-CD1 3.87Å; V432-L516 HydrophobicContact CG1-CB 4Å; V432-L516 HydrophobicContact CG1-CD1 4.38Å; V432-L516 HydrophobicContact CG1-CD2 4.14Å; V432-L516 HydrophobicContact CG1-CG 4.42Å; V432-L516 HydrophobicContact CG2-CB 4.07Å; I512-L516 HydrophobicContact CG2-CD1 4Å; I512-L516 HydrophobicContact CG2-CG 4.47Å; I512-L516 WeakPolarHBondContact O-CB 3.2Å; I512-L516 WeakPolarHBondContact O-CG 3.4Å; I512-L516 PolarHBondContact O-N 3.29Å; C513-L516 PolarHBondContact O-N 2.53Å; L516-S520 VanDerWaalsContact O-CB 3.31Å; L516-S520 WeakPolarHBondContact O-CB 3.26Å; L516-S520 PolarHBondContact O-N 2.96Å; L516-S520 PolarHBondContact O-OG 3.05Å; L516-Y558 HydrophobicContact CD2-CD1 3.71Å; L516-Y558 HydrophobicContact CD2-CE1 4.03Å; L516-A561 HydrophobicContact CD1-CB 4.15Å; L516-A561 HydrophobicContact CD2-CB 3.66Å; L516-A561 HydrophobicContact CG-CB 3.99Å; L516-L562 HydrophobicContact CD1-CD2 3.86Å; L516-L562 HydrophobicContact CD1-CG 4.29Å; L516-L565 HydrophobicContact CD1-CD1 3.89Å
517V95.6Very high95Very high3 Ų329.4 Ų29.42%0.01814%0.144CC..Hα-helixtrans-64.5-45.8175.9168.20000111.2F400 G425 V432 C513 F515 S520 K521F400-V517 HydrophobicContact CD1-CG2 4.01Å; F400-V517 HydrophobicContact CE1-CG2 3.82Å; G425-V517 WeakPolarHBondContact O-CG1 3.38Å; V432-V517 HydrophobicContact CG2-CG2 4.07Å; C513-V517 WeakPolarHBondContact O-CG2 3.35Å; C513-V517 PolarHBondContact O-N 3.05Å; F515-V517 VanDerWaalsContact C-N 3.35Å; F515-V517 PolarHBondContact O-N 3.19Å; V517-S520 PolarHBondContact O-N 3.49Å; V517-K521 HydrophobicContact CG1-CD 4.37Å; V517-K521 WeakPolarHBondContact O-CG 3.49Å; V517-K521 PolarHBondContact O-N 3.11Å
518S95.4Very high95Very high49 Ų4934.7 Ų34.734%0.34317%0.173SC..Hα-helixtrans-65.1-46.5-179.3-55.60000110.8Y481 K514 F515 S520 K521 D522Y481-S518 WeakPolarHBondContact OH-CB 3.47Å; Y481-S518 PolarHBondContact OH-O 3.4Å; K514-S518 WeakPolarHBondContact O-CB 3.37Å; K514-S518 PolarHBondContact O-N 2.77Å; K514-S518 PolarHBondContact O-OG 3.27Å; F515-S518 PolarHBondContact O-N 2.99Å; S518-S520 VanDerWaalsContact C-N 3.27Å; S518-S520 PolarHBondContact O-N 3.31Å; S518-K521 WeakPolarHBondContact O-CB 3.42Å; S518-K521 PolarHBondContact O-N 3.25Å; S518-K521 VanDerWaalsContact O-N 3.11Å; S518-D522 PolarHBondContact O-N 2.74Å
519L96.9Very high95Very high0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-53.3-47.2173.3172.461.3000111L477 Y481 F515 K521 D522 F523 L554 L557 Y558L477-L519 HydrophobicContact CD2-CD1 3.99Å; Y481-L519 HydrophobicContact CD1-CB 3.67Å; Y481-L519 HydrophobicContact CD1-CD1 4.03Å; Y481-L519 HydrophobicContact CD1-CG 4.36Å; Y481-L519 HydrophobicContact CD2-CD1 3.83Å; Y481-L519 VanDerWaalsContact CE1-CA 3.46Å; Y481-L519 HydrophobicContact CE1-CB 3.71Å; Y481-L519 VanDerWaalsContact CE1-N 3.31Å; Y481-L519 HydrophobicContact CE2-CD1 4.35Å; Y481-L519 HydrophobicContact CG-CB 4.2Å; Y481-L519 HydrophobicContact CG-CD1 3.64Å; Y481-L519 HydrophobicContact CG-CG 4.45Å; Y481-L519 PolarHBondContact OH-N 3.12Å; F515-L519 HydrophobicContact CE1-CD2 4.38Å; F515-L519 VanDerWaalsContact O-CB 3.31Å; F515-L519 WeakPolarHBondContact O-CB 3.26Å; F515-L519 PolarHBondContact O-N 3.43Å; L519-K521 VanDerWaalsContact C-N 3.32Å; L519-K521 PolarHBondContact O-N 2.82Å; L519-D522 PolarHBondContact O-N 3.22Å; L519-F523 WeakPolarHBondContact O-CB 3.35Å; L519-F523 PolarHBondContact O-N 3.33Å; L519-L554 HydrophobicContact CD1-CD2 3.96Å; L519-L557 HydrophobicContact CD2-CD2 3.34Å; L519-Y558 HydrophobicContact CD2-CD1 4.25Å; L519-Y558 HydrophobicContact CD2-CD2 4.03Å; L519-Y558 HydrophobicContact CD2-CE1 3.9Å; L519-Y558 HydrophobicContact CD2-CE2 3.66Å; L519-Y558 HydrophobicContact CD2-CG 4.31Å; L519-Y558 HydrophobicContact CG-CE1 4.33Å; L519-Y558 HydrophobicContact CG-CE2 3.94Å
520S96.6Very high95Very high0 Ų039.2 Ų39.20%019%0.188CC..Hα-helixtrans-65.2-34.4-178.7-57.40000113.3F431 L516 V517 S518 S524 Y558F431-S520 VanDerWaalsContact CE1-C 3.49Å; F431-S520 WeakPolarHBondContact CZ-O 3.48Å; L516-S520 VanDerWaalsContact O-CB 3.31Å; L516-S520 WeakPolarHBondContact O-CB 3.26Å; L516-S520 PolarHBondContact O-N 2.96Å; L516-S520 PolarHBondContact O-OG 3.05Å; V517-S520 PolarHBondContact O-N 3.49Å; S518-S520 VanDerWaalsContact C-N 3.27Å; S518-S520 PolarHBondContact O-N 3.31Å; S520-S524 WeakPolarHBondContact O-CB 3.18Å; S520-S524 PolarHBondContact O-N 2.98Å; S520-S524 PolarHBondContact O-OG 2.87Å; S520-Y558 WeakPolarHBondContact CA-OH 3.18Å; S520-Y558 WeakPolarHBondContact CB-OH 3.29Å; S520-Y558 PolarHBondContact N-OH 3.49Å; S520-Y558 WeakPolarHBondContact OG-CE1 3.37Å; S520-Y558 PolarHBondContact OG-OH 3.4Å
521K94.9Very high94.7Very high102 Ų10246.4 Ų46.444%0.44322%0.221SC..Hα-helixtrans-66.9-48.4175.2-72.4172.3-178.5174.40111F431 V517 S518 L519 S524 S525F431-K521 HydrophobicContact CE1-CG 3.96Å; V517-K521 HydrophobicContact CG1-CD 4.37Å; V517-K521 WeakPolarHBondContact O-CG 3.49Å; V517-K521 PolarHBondContact O-N 3.11Å; S518-K521 WeakPolarHBondContact O-CB 3.42Å; S518-K521 PolarHBondContact O-N 3.25Å; S518-K521 VanDerWaalsContact O-N 3.11Å; L519-K521 VanDerWaalsContact C-N 3.32Å; L519-K521 PolarHBondContact O-N 2.82Å; K521-S524 PolarHBondContact O-N 3.34Å; K521-S525 WeakPolarHBondContact O-CB 3.44Å; K521-S525 PolarHBondContact O-N 3.32Å
522D95.6Very high94.6Very high51 Ų5144.1 Ų44.127%0.27321%0.211SC..Hα-helixtrans-70.9-40.2-177-71.2-22.6000111.7L476 L477 Y481 S518 L519 S525 Y526L476-D522 HydrophobicContact CD2-CB 3.55Å; L476-D522 WeakPolarHBondContact CD2-OD2 3.17Å; L477-D522 HydrophobicContact CD2-CB 4.47Å; Y481-D522 HydrophobicContact CE2-CB 4.04Å; Y481-D522 WeakPolarHBondContact CE2-OD2 3.46Å; Y481-D522 PolarHBondContact OH-OD2 3.44Å; S518-D522 PolarHBondContact O-N 2.74Å; L519-D522 PolarHBondContact O-N 3.22Å; D522-S525 WeakPolarHBondContact O-CB 3.48Å; D522-S525 PolarHBondContact O-N 3.08Å; D522-Y526 WeakPolarHBondContact O-CB 3.48Å; D522-Y526 PolarHBondContact O-N 3.25Å
523F96.4Very high94.3Very high0 Ų046 Ų460%022%0.221CC..Hα-helixtrans-61.2-49.3172.2168.7-109.5000111.7N435 L439 L477 L519 S525 Y526 Y527 L551 L554N435-F523 HydrophobicContact CB-CD1 4.02Å; N435-F523 HydrophobicContact CB-CE1 4.21Å; N435-F523 VanDerWaalsContact OD1-CD1 3.3Å; N435-F523 WeakPolarHBondContact OD1-CD1 3.39Å; L439-F523 HydrophobicContact CD1-CE1 4.4Å; L439-F523 HydrophobicContact CD1-CZ 4.27Å; L439-F523 HydrophobicContact CD2-CE1 4.36Å; L439-F523 HydrophobicContact CD2-CE2 3.65Å; L439-F523 HydrophobicContact CD2-CZ 3.49Å; L439-F523 VanDerWaalsContact CD2-CZ 3.49Å; L439-F523 HydrophobicContact CG-CE1 3.98Å; L439-F523 HydrophobicContact CG-CE2 4.15Å; L439-F523 HydrophobicContact CG-CZ 3.59Å; L477-F523 HydrophobicContact CD2-CB 4.2Å; L519-F523 WeakPolarHBondContact O-CB 3.35Å; L519-F523 PolarHBondContact O-N 3.33Å; F523-S525 VanDerWaalsContact C-N 3.27Å; F523-S525 PolarHBondContact O-N 2.87Å; F523-Y526 PolarHBondContact O-N 3.49Å; F523-Y527 AromaticContact CE2-CD2 3.93Å; F523-Y527 HydrophobicContact CE2-CD2 3.93Å; F523-Y527 HydrophobicContact CE2-CG 4.34Å; F523-Y527 AromaticContact CZ-CD2 3.83Å; F523-Y527 HydrophobicContact CZ-CD2 3.83Å; F523-Y527 HydrophobicContact CZ-CG 4.12Å; F523-Y527 WeakPolarHBondContact O-CB 3.32Å; F523-Y527 PolarHBondContact O-N 3.31Å; F523-L551 HydrophobicContact CD2-CD2 4.07Å; F523-L551 HydrophobicContact CE2-CD2 3.7Å; F523-L554 HydrophobicContact CD2-CD1 4.44Å
524S95Very high93.7Very high13 Ų1347.4 Ų47.49%0.09124%0.236CC..Hα-helixtrans-57.3-41.3175.3-870000112F431 N435 S520 K521 N528F431-S524 WeakPolarHBondContact CZ-OG 3.46Å; N435-S524 PolarHBondContact ND2-OG 3.46Å; N435-S524 PolarHBondContact OD1-OG 2.97Å; S520-S524 WeakPolarHBondContact O-CB 3.18Å; S520-S524 PolarHBondContact O-N 2.98Å; S520-S524 PolarHBondContact O-OG 2.87Å; K521-S524 PolarHBondContact O-N 3.34Å; S524-N528 WeakPolarHBondContact O-CB 3.48Å; S524-N528 PolarHBondContact O-N 3.34Å; S524-N528 VanDerWaalsContact O-N 3.12Å; S524-N528 PolarHBondContact O-ND2 2.85Å; S524-N528 PolarHBondContact O-OD1 3.06Å
525S94.4Very high93.1Very high50 Ų5050.5 Ų50.535%0.3525%0.251SS..Hα-helixtrans-63.9-45177.9-165.30000111.9K521 D522 F523 R529K521-S525 WeakPolarHBondContact O-CB 3.44Å; K521-S525 PolarHBondContact O-N 3.32Å; D522-S525 WeakPolarHBondContact O-CB 3.48Å; D522-S525 PolarHBondContact O-N 3.08Å; F523-S525 VanDerWaalsContact C-N 3.27Å; F523-S525 PolarHBondContact O-N 2.87Å; S525-R529 WeakPolarHBondContact O-CG 3.35Å
526Y95.3Very high92.5Very high8 Ų852.1 Ų52.13%0.03126%0.264CS..Hα-helixtrans-63.4-53.7176.6167.5-107000111.7E471 E474 L477 D522 F523 N528 R529 V530 L551E471-Y526 HydrophobicContact CB-CE2 4.48Å; E474-Y526 HydrophobicContact CG-CD2 4.47Å; E474-Y526 HydrophobicContact CG-CE2 3.49Å; E474-Y526 VanDerWaalsContact CG-CE2 3.49Å; E474-Y526 WeakPolarHBondContact CG-OH 3.3Å; E474-Y526 PolarHBondContact OE1-OH 3.18Å; L477-Y526 HydrophobicContact CD1-CD1 3.49Å; L477-Y526 VanDerWaalsContact CD1-CD1 3.49Å; L477-Y526 HydrophobicContact CD1-CD2 4.46Å; L477-Y526 HydrophobicContact CD1-CE1 4.08Å; L477-Y526 HydrophobicContact CD1-CG 3.71Å; D522-Y526 WeakPolarHBondContact O-CB 3.48Å; D522-Y526 PolarHBondContact O-N 3.25Å; F523-Y526 PolarHBondContact O-N 3.49Å; Y526-N528 VanDerWaalsContact C-N 3.28Å; Y526-N528 PolarHBondContact O-N 3.22Å; Y526-R529 PolarHBondContact O-N 3.47Å; Y526-V530 HydrophobicContact CD2-CB 4.21Å; Y526-V530 HydrophobicContact CD2-CG2 3.79Å; Y526-V530 HydrophobicContact CE2-CB 3.76Å; Y526-V530 HydrophobicContact CE2-CG1 3.95Å; Y526-V530 HydrophobicContact CE2-CG2 3.51Å; Y526-V530 PolarHBondContact O-N 2.94Å; Y526-L551 HydrophobicContact CD1-CD2 4.48Å; Y526-L551 HydrophobicContact CE1-CD2 4.03Å
527Y94.4Very high92.1Very high61 Ų6155.2 Ų55.224%0.23928%0.28CS..Hα-helixtrans-62.5-33.7-175.3-170.2-84.4000112.8L442 F523 R529 V532L442-Y527 HydrophobicContact CD1-CE2 4.06Å; L442-Y527 HydrophobicContact CD2-CE2 3.97Å; L442-Y527 HydrophobicContact CG-CE2 4.42Å; F523-Y527 AromaticContact CE2-CD2 3.93Å; F523-Y527 HydrophobicContact CE2-CD2 3.93Å; F523-Y527 HydrophobicContact CE2-CG 4.34Å; F523-Y527 AromaticContact CZ-CD2 3.83Å; F523-Y527 HydrophobicContact CZ-CD2 3.83Å; F523-Y527 HydrophobicContact CZ-CG 4.12Å; F523-Y527 WeakPolarHBondContact O-CB 3.32Å; F523-Y527 PolarHBondContact O-N 3.31Å; Y527-R529 VanDerWaalsContact C-N 3.27Å; Y527-R529 PolarHBondContact O-N 2.93Å; Y527-V532 HydrophobicContact CD2-CG2 4.22Å; Y527-V532 HydrophobicContact CE2-CG2 4.13Å
528N92.3Very high91.7Very high111 Ų11159.8 Ų59.859%0.59431%0.31SS*.Hα-helixtrans-71.7-21.8177.1-70.9-8.7000113.2R438 S524 Y526R438-N528 PolarHBondContact NH2-OD1 2.93Å; S524-N528 WeakPolarHBondContact O-CB 3.48Å; S524-N528 PolarHBondContact O-N 3.34Å; S524-N528 VanDerWaalsContact O-N 3.12Å; S524-N528 PolarHBondContact O-ND2 2.85Å; S524-N528 PolarHBondContact O-OD1 3.06Å; Y526-N528 VanDerWaalsContact C-N 3.28Å; Y526-N528 PolarHBondContact O-N 3.22Å
529R91.6Very high91.4Very high198 Ų19864.3 Ų64.375%0.74733%0.325SS*.Hα-helixtrans-96-29.9-179.4-69.4175.7178.8178.81.6112.7S525 Y526 Y527S525-R529 WeakPolarHBondContact O-CG 3.35Å; Y526-R529 PolarHBondContact O-N 3.47Å; Y527-R529 VanDerWaalsContact C-N 3.27Å; Y527-R529 PolarHBondContact O-N 2.93Å
530V91Very high91.1Very high12 Ų1267.4 Ų67.47%0.07334%0.341CS..SBendtrans-111.7120-169.5177.20000110.4E471 Y526 V532E471-V530 HydrophobicContact CG-CG2 4.04Å; Y526-V530 HydrophobicContact CD2-CB 4.21Å; Y526-V530 HydrophobicContact CD2-CG2 3.79Å; Y526-V530 HydrophobicContact CE2-CB 3.76Å; Y526-V530 HydrophobicContact CE2-CG1 3.95Å; Y526-V530 HydrophobicContact CE2-CG2 3.51Å; Y526-V530 PolarHBondContact O-N 2.94Å; V530-V532 PolarHBondContact O-N 3.14Å
531H88.6Confident90.8Very high159 Ų15969.1 Ų69.174%0.73635%0.349SS*.  trans-74.8110.5170.5-63.4-46.3000109.7R547H531-R547 PolarHBondContact O-NH1 3.16Å; H531-R547 VanDerWaalsContact O-NH1 3.16Å
532V91.4Very high90.8Very high8 Ų866.6 Ų66.65%0.04834%0.34CS..SBendtrans-79.7-60178.2-1780000109.8L442 Y527 V530 G534 M544 R547 L548 L551L442-V532 HydrophobicContact CD1-CB 4.22Å; L442-V532 HydrophobicContact CD1-CG1 4.23Å; L442-V532 HydrophobicContact CD2-CG1 4.36Å; Y527-V532 HydrophobicContact CD2-CG2 4.22Å; Y527-V532 HydrophobicContact CE2-CG2 4.13Å; V530-V532 PolarHBondContact O-N 3.14Å; V532-G534 PolarHBondContact O-N 2.53Å; V532-M544 WeakPolarHBondContact O-CG 3.25Å; V532-R547 HydrophobicContact CG1-CB 4.28Å; V532-L548 HydrophobicContact CG1-CD2 3.95Å; V532-L548 HydrophobicContact CG1-CG 4.27Å; V532-L551 HydrophobicContact CB-CD1 4.37Å; V532-L551 HydrophobicContact CG1-CD1 3.93Å; V532-L551 HydrophobicContact CG2-CD1 3.6Å
533L90.4Very high90.7Very high44 Ų4467 Ų6723%0.2334%0.341CS..SBendtrans-89.197.8173.7-57.5-178.2000108.3L442 Y446 M544 L548L442-L533 HydrophobicContact CD1-CD1 3.77Å; L442-L533 HydrophobicContact CD1-CG 3.72Å; Y446-L533 HydrophobicContact CD2-CD2 3.73Å; Y446-L533 HydrophobicContact CG-CD2 4.29Å; L533-M544 HydrophobicContact CD2-SD 4.14Å; L533-L548 HydrophobicContact CD2-CD1 4.34Å; L533-L548 HydrophobicContact CD2-CD2 4.17Å
534G82.1Confident90.7Very high30 Ų3067.6 Ų67.631%0.30934%0.343SS..  trans-98-167.1176.900000112.5Y455 V532Y455-G534 PolarHBondContact OH-O 2.86Å; V532-G534 PolarHBondContact O-N 2.53Å
535E84.2Confident90.7Very high139 Ų13967.6 Ų67.665%0.6534%0.342SS*.  trans-58.8143.5173.3-64.9-176.4166.100111.2L537E535-L537 HydrophobicContact CB-CD1 4.2Å; E535-L537 HydrophobicContact CB-CG 4.1Å; E535-L537 PolarHBondContact O-N 2.97Å
536P84.1Confident90.8Very high56 Ų5665.2 Ų65.236%0.36433%0.325SS..  trans-77.157.6-173.934.8-39.6000112.1L454 Y455 F541L454-P536 HydrophobicContact CD1-CB 4.12Å; L454-P536 HydrophobicContact CD1-CG 3.76Å; L454-P536 HydrophobicContact CG-CB 4.28Å; L454-P536 HydrophobicContact CG-CG 4.39Å; L454-P536 WeakPolarHBondContact O-CB 3.25Å; Y455-P536 HydrophobicContact CD1-CB 4.23Å; Y455-P536 HydrophobicContact CE1-CB 4.06Å; P536-F541 HydrophobicContact CB-CE1 4.44Å
537L88.4Confident90.8Very high65 Ų6565.8 Ų65.834%0.3433%0.327SS..  trans-97.6127.8-178.3-62174.1000110.3E535 H539 L540 F541E535-L537 HydrophobicContact CB-CD1 4.2Å; E535-L537 HydrophobicContact CB-CG 4.1Å; E535-L537 PolarHBondContact O-N 2.97Å; L537-H539 VanDerWaalsContact C-N 3.26Å; L537-H539 PolarHBondContact O-N 2.83Å; L537-H539 VanDerWaalsContact O-N 3.08Å; L537-L540 HydrophobicContact CB-CD1 4.11Å; L537-L540 HydrophobicContact CB-CG 4.21Å; L537-L540 HydrophobicContact CD1-CD1 4.14Å; L537-L540 PolarHBondContact O-N 3.11Å; L537-F541 WeakPolarHBondContact O-CD1 3.41Å
538P87.3Confident90.9Very high99 Ų9962.9 Ų62.964%0.64332%0.316SS*.G310 helixtrans-54.1-35.7-173.8-3135.8000115.7L540 F541P538-L540 PolarHBondContact O-N 3.02Å; P538-F541 HydrophobicContact CB-CD2 4.37Å; P538-F541 HydrophobicContact CB-CE2 4.32Å; P538-F541 HydrophobicContact CG-CE2 4.34Å; P538-F541 WeakPolarHBondContact O-CB 3.46Å; P538-F541 PolarHBondContact O-N 3.13Å
539H88.1Confident91.1Very high145 Ų14558.7 Ų58.767%0.67129%0.293SS*.G310 helixtrans-72.6-15.3-179.966-88.6000113.7L537L537-H539 VanDerWaalsContact C-N 3.26Å; L537-H539 PolarHBondContact O-N 2.83Å; L537-H539 VanDerWaalsContact O-N 3.08Å
540L90.1Very high91.3Very high64 Ų6449.3 Ų49.334%0.33526%0.257SS..G310 helixtrans-93.1-13.2176.4-59.9-179.1000112.8L537 P538 N542 Q543 M544L537-L540 HydrophobicContact CB-CD1 4.11Å; L537-L540 HydrophobicContact CB-CG 4.21Å; L537-L540 HydrophobicContact CD1-CD1 4.14Å; L537-L540 PolarHBondContact O-N 3.11Å; P538-L540 PolarHBondContact O-N 3.02Å; L540-N542 PolarHBondContact O-N 3.39Å; L540-Q543 PolarHBondContact O-N 2.63Å; L540-M544 PolarHBondContact O-N 2.76Å
541F91.8Very high91.6Very high36 Ų3648.7 Ų48.716%0.15825%0.254CS..Hα-helixtrans-61.1-43.1-173.1-73.3-10.1000113.5P456 P536 L537 P538 Q543 M544 F545P456-F541 HydrophobicContact CG-CD2 4.04Å; P456-F541 HydrophobicContact CG-CE2 3.95Å; P456-F541 HydrophobicContact CG-CZ 4.49Å; P536-F541 HydrophobicContact CB-CE1 4.44Å; L537-F541 WeakPolarHBondContact O-CD1 3.41Å; P538-F541 HydrophobicContact CB-CD2 4.37Å; P538-F541 HydrophobicContact CB-CE2 4.32Å; P538-F541 HydrophobicContact CG-CE2 4.34Å; P538-F541 WeakPolarHBondContact O-CB 3.46Å; P538-F541 PolarHBondContact O-N 3.13Å; F541-Q543 VanDerWaalsContact C-N 3.31Å; F541-Q543 PolarHBondContact O-N 3.3Å; F541-M544 HydrophobicContact CD1-CE 3.91Å; F541-M544 HydrophobicContact CE1-CE 4.4Å; F541-M544 PolarHBondContact O-N 2.83Å; F541-F545 HydrophobicContact CB-CD2 4.23Å; F541-F545 HydrophobicContact CB-CE2 3.56Å; F541-F545 HydrophobicContact CB-CZ 3.9Å; F541-F545 HydrophobicContact CG-CE2 4.26Å; F541-F545 HydrophobicContact CG-CZ 4.17Å; F541-F545 WeakPolarHBondContact O-CD2 3.47Å; F541-F545 VanDerWaalsContact O-CG 3.25Å; F541-F545 WeakPolarHBondContact O-CG 3.49Å; F541-F545 PolarHBondContact O-N 2.9Å
542N94Very high91.9Very high50 Ų5045.6 Ų45.627%0.26724%0.235SC..Hα-helixtrans-58.2-44.4179.1-178.869.9000111.8L464 D465 A468 L540 F545 C546L464-N542 WeakPolarHBondContact CD2-OD1 3.3Å; D465-N542 PolarHBondContact N-OD1 2.85Å; D465-N542 PolarHBondContact O-ND2 2.76Å; A468-N542 WeakPolarHBondContact CB-ND2 3.35Å; L540-N542 PolarHBondContact O-N 3.39Å; N542-F545 PolarHBondContact O-N 2.98Å; N542-C546 WeakPolarHBondContact O-CB 3.28Å; N542-C546 PolarHBondContact O-N 3.37Å; N542-C546 PolarHBondContact O-SG 2.95Å
543Q94.8Very high92.2Very high60 Ų6045.3 Ų45.328%0.2823%0.234SC..Hα-helixtrans-65.8-44.4177.4-174.8174.853.200111.6A468 L540 F541 F545 C546 R547A468-Q543 HydrophobicContact CB-CB 4.06Å; A468-Q543 HydrophobicContact CB-CG 4.38Å; A468-Q543 PolarHBondContact O-NE2 2.78Å; A468-Q543 VanDerWaalsContact O-NE2 3.13Å; L540-Q543 PolarHBondContact O-N 2.63Å; F541-Q543 VanDerWaalsContact C-N 3.31Å; F541-Q543 PolarHBondContact O-N 3.3Å; Q543-F545 PolarHBondContact O-N 3.46Å; Q543-C546 PolarHBondContact O-N 2.87Å; Q543-R547 WeakPolarHBondContact O-CG 3.24Å; Q543-R547 PolarHBondContact O-N 3.13Å
544M95.3Very high92.5Very high11 Ų1143.2 Ų43.25%0.05422%0.223CC..Hα-helixtrans-57.7-47.7176.4-180-178.369.300111.4Y446 Y455 V532 L533 L540 F541 R547 L548Y446-M544 HydrophobicContact CE2-CE 4.27Å; Y455-M544 HydrophobicContact CD1-CE 3.88Å; Y455-M544 HydrophobicContact CD1-SD 4Å; Y455-M544 HydrophobicContact CE1-CE 4.44Å; Y455-M544 HydrophobicContact CE1-SD 3.97Å; Y455-M544 HydrophobicContact CG-CE 4.47Å; V532-M544 WeakPolarHBondContact O-CG 3.25Å; L533-M544 HydrophobicContact CD2-SD 4.14Å; L540-M544 PolarHBondContact O-N 2.76Å; F541-M544 HydrophobicContact CD1-CE 3.91Å; F541-M544 HydrophobicContact CE1-CE 4.4Å; F541-M544 PolarHBondContact O-N 2.83Å; M544-R547 WeakPolarHBondContact O-CB 3.39Å; M544-R547 PolarHBondContact O-N 2.96Å; M544-L548 HydrophobicContact CG-CD1 3.87Å; M544-L548 HydrophobicContact CG-CG 4.42Å; M544-L548 WeakPolarHBondContact O-CG 3.31Å; M544-L548 PolarHBondContact O-N 3.33Å
545F95.4Very high93.1Very high13 Ų1344.1 Ų44.16%0.05722%0.217CC..Hα-helixtrans-65.3-41.9179-60.6-40.8000112.5P456 I458 P459 L464 F541 N542 Q543 R547 L548 H549P456-F545 HydrophobicContact CG-CE1 4.38Å; P456-F545 HydrophobicContact CG-CE2 4.35Å; P456-F545 HydrophobicContact CG-CZ 3.54Å; I458-F545 HydrophobicContact CG1-CD1 4.32Å; I458-F545 HydrophobicContact CG2-CD1 4.48Å; P459-F545 VanDerWaalsContact CD-CG 3.47Å; P459-F545 HydrophobicContact CG-CB 4.29Å; P459-F545 HydrophobicContact CG-CD2 3.55Å; P459-F545 HydrophobicContact CG-CE2 4.08Å; P459-F545 HydrophobicContact CG-CG 3.95Å; L464-F545 HydrophobicContact CD1-CB 3.83Å; L464-F545 HydrophobicContact CD2-CB 3.66Å; L464-F545 HydrophobicContact CD2-CD2 4.05Å; L464-F545 HydrophobicContact CD2-CG 4.34Å; L464-F545 HydrophobicContact CG-CB 4.43Å; F541-F545 HydrophobicContact CB-CD2 4.23Å; F541-F545 HydrophobicContact CB-CE2 3.56Å; F541-F545 HydrophobicContact CB-CZ 3.9Å; F541-F545 HydrophobicContact CG-CE2 4.26Å; F541-F545 HydrophobicContact CG-CZ 4.17Å; F541-F545 WeakPolarHBondContact O-CD2 3.47Å; F541-F545 VanDerWaalsContact O-CG 3.25Å; F541-F545 WeakPolarHBondContact O-CG 3.49Å; F541-F545 PolarHBondContact O-N 2.9Å; N542-F545 PolarHBondContact O-N 2.98Å; Q543-F545 PolarHBondContact O-N 3.46Å; F545-R547 VanDerWaalsContact C-N 3.26Å; F545-R547 PolarHBondContact O-N 3.42Å; F545-L548 HydrophobicContact CD1-CD1 4.26Å; F545-L548 PolarHBondContact O-N 2.86Å; F545-L548 VanDerWaalsContact O-N 3.15Å; F545-H549 PolarHBondContact O-CD2 2.87Å; F545-H549 VanDerWaalsContact O-CD2 3.3Å; F545-H549 PolarHBondContact O-N 3.13Å
546C95.8Very high93.6Very high0 Ų040.2 Ų40.20%020%0.199CC..Hα-helixtrans-57.3-42.8174.6-690000111.3D465 F466 L469 N542 Q543 H549 L550D465-C546 PolarHBondContact O-SG 2.84Å; F466-C546 HydrophobicContact CD1-CB 4.28Å; F466-C546 HydrophobicContact CE1-CB 4.5Å; L469-C546 HydrophobicContact CD1-CB 4.14Å; L469-C546 HydrophobicContact CD2-CB 3.65Å; L469-C546 HydrophobicContact CG-CB 3.76Å; N542-C546 WeakPolarHBondContact O-CB 3.28Å; N542-C546 PolarHBondContact O-N 3.37Å; N542-C546 PolarHBondContact O-SG 2.95Å; Q543-C546 PolarHBondContact O-N 2.87Å; C546-H549 PolarHBondContact O-N 3.49Å; C546-L550 PolarHBondContact O-N 3.49Å; C546-L550 VanDerWaalsContact O-N 3.12Å
547R96.6Very high94.2Very high20 Ų2037.5 Ų37.58%0.07518%0.182CC..Hα-helixtrans-66.1-41.9175.6-71.3176.7172158.82.7112.1L469 E474 H531 V532 Q543 M544 F545 H549 L550 L551L469-R547 HydrophobicContact CD2-CG 3.84Å; E474-R547 IonicContact OE1-CZ 3.16Å; E474-R547 IonicContact OE1-NE 2.91Å; E474-R547 PolarHBondContact OE1-NE 3.29Å; E474-R547 IonicContact OE1-NH2 2.75Å; E474-R547 PolarHBondContact OE1-NH2 2.8Å; H531-R547 PolarHBondContact O-NH1 3.16Å; H531-R547 VanDerWaalsContact O-NH1 3.16Å; V532-R547 HydrophobicContact CG1-CB 4.28Å; Q543-R547 WeakPolarHBondContact O-CG 3.24Å; Q543-R547 PolarHBondContact O-N 3.13Å; M544-R547 WeakPolarHBondContact O-CB 3.39Å; M544-R547 PolarHBondContact O-N 2.96Å; F545-R547 VanDerWaalsContact C-N 3.26Å; F545-R547 PolarHBondContact O-N 3.42Å; R547-H549 VanDerWaalsContact C-N 3.34Å; R547-H549 PolarHBondContact O-N 2.91Å; R547-L550 PolarHBondContact O-N 2.82Å; R547-L551 WeakPolarHBondContact O-CB 3.34Å; R547-L551 VanDerWaalsContact O-CG 3.3Å; R547-L551 WeakPolarHBondContact O-CG 3.35Å; R547-L551 PolarHBondContact O-N 3.08Å
548L95.9Very high94.6Very high0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-63.6-38.9177.4-73.2168.2000111.8F443 Y446 I458 V532 L533 M544 F545 L551 R552F443-L548 HydrophobicContact CE1-CD2 3.95Å; F443-L548 HydrophobicContact CZ-CD2 4.42Å; F443-L548 WeakPolarHBondContact CZ-O 3.41Å; Y446-L548 HydrophobicContact CD2-CD1 3.79Å; Y446-L548 HydrophobicContact CE2-CD1 3.7Å; Y446-L548 HydrophobicContact CG-CD1 4.23Å; I458-L548 HydrophobicContact CD1-CB 4.08Å; I458-L548 HydrophobicContact CD1-CD1 4.07Å; I458-L548 HydrophobicContact CG1-CD1 4.33Å; V532-L548 HydrophobicContact CG1-CD2 3.95Å; V532-L548 HydrophobicContact CG1-CG 4.27Å; L533-L548 HydrophobicContact CD2-CD1 4.34Å; L533-L548 HydrophobicContact CD2-CD2 4.17Å; M544-L548 HydrophobicContact CG-CD1 3.87Å; M544-L548 HydrophobicContact CG-CG 4.42Å; M544-L548 WeakPolarHBondContact O-CG 3.31Å; M544-L548 PolarHBondContact O-N 3.33Å; F545-L548 HydrophobicContact CD1-CD1 4.26Å; F545-L548 PolarHBondContact O-N 2.86Å; F545-L548 VanDerWaalsContact O-N 3.15Å; L548-L551 PolarHBondContact O-N 2.98Å; L548-R552 WeakPolarHBondContact O-CB 3.07Å; L548-R552 PolarHBondContact O-N 3.01Å
549H95.8Very high95Very high24 Ų2430.7 Ų30.711%0.11114%0.139CC..Hα-helixtrans-62.5-46172.8-86.5-79.4000112.2I458 P459 L464 F545 C546 R547 L551 R552 A553I458-H549 WeakPolarHBondContact CG2-NE2 3.43Å; P459-H549 PolarHBondContact O-NE2 2.99Å; L464-H549 WeakPolarHBondContact CD1-CD2 3.5Å; F545-H549 PolarHBondContact O-CD2 2.87Å; F545-H549 VanDerWaalsContact O-CD2 3.3Å; F545-H549 PolarHBondContact O-N 3.13Å; C546-H549 PolarHBondContact O-N 3.49Å; R547-H549 VanDerWaalsContact C-N 3.34Å; R547-H549 PolarHBondContact O-N 2.91Å; H549-L551 PolarHBondContact O-N 3.09Å; H549-R552 PolarHBondContact O-N 3.14Å; H549-A553 PolarHBondContact O-N 3.39Å
550L96.8Very high95.3Very high0 Ų027.7 Ų27.70%012%0.122CC..Hα-helixtrans-58.9-47.1174.5177.162.9000111.7L123 E474 L478 L482 C546 R547 R552 A553 L554L123-L550 HydrophobicContact CD1-CB 4.07Å; L123-L550 HydrophobicContact CD1-CD1 4.44Å; L123-L550 HydrophobicContact CD2-CD1 4.48Å; E474-L550 HydrophobicContact CB-CD2 3.92Å; E474-L550 HydrophobicContact CG-CD2 4.15Å; L478-L550 HydrophobicContact CB-CD1 4.21Å; L478-L550 HydrophobicContact CD1-CD1 4.47Å; L482-L550 HydrophobicContact CD1-CD1 3.66Å; C546-L550 PolarHBondContact O-N 3.49Å; C546-L550 VanDerWaalsContact O-N 3.12Å; R547-L550 PolarHBondContact O-N 2.82Å; L550-R552 VanDerWaalsContact C-N 3.34Å; L550-R552 PolarHBondContact O-N 2.99Å; L550-A553 WeakPolarHBondContact O-CB 3.22Å; L550-A553 PolarHBondContact O-N 3.27Å; L550-L554 WeakPolarHBondContact O-CG 3.33Å; L550-L554 PolarHBondContact O-N 3.15Å
551L96.8Very high95.6Very high0 Ų024.6 Ų24.60%011%0.106CC..Hα-helixtrans-71.8-28.4-178.3-66.9-175.1000113L439 L442 F443 F523 Y526 V532 R547 L548 H549 L554 R555L439-L551 HydrophobicContact CD2-CB 4.1Å; L439-L551 HydrophobicContact CD2-CD2 4.32Å; L442-L551 HydrophobicContact CD2-CB 4.47Å; L442-L551 HydrophobicContact CD2-CD1 3.53Å; F443-L551 HydrophobicContact CE2-CB 4.31Å; F443-L551 HydrophobicContact CZ-CB 4.15Å; F523-L551 HydrophobicContact CD2-CD2 4.07Å; F523-L551 HydrophobicContact CE2-CD2 3.7Å; Y526-L551 HydrophobicContact CD1-CD2 4.48Å; Y526-L551 HydrophobicContact CE1-CD2 4.03Å; V532-L551 HydrophobicContact CB-CD1 4.37Å; V532-L551 HydrophobicContact CG1-CD1 3.93Å; V532-L551 HydrophobicContact CG2-CD1 3.6Å; R547-L551 WeakPolarHBondContact O-CB 3.34Å; R547-L551 VanDerWaalsContact O-CG 3.3Å; R547-L551 WeakPolarHBondContact O-CG 3.35Å; R547-L551 PolarHBondContact O-N 3.08Å; L548-L551 PolarHBondContact O-N 2.98Å; H549-L551 PolarHBondContact O-N 3.09Å; L551-L554 HydrophobicContact CD2-CD1 3.87Å; L551-L554 PolarHBondContact O-N 3.03Å; L551-R555 PolarHBondContact O-N 3.15Å
552R95.6Very high95.8Very high93 Ų9322.9 Ų22.935%0.35110%0.099SC..Hα-helixtrans-67.1-43.6172.9-178.9-176.5-73.9168.8-12.9109.9F443 L548 H549 L550 L554 R555 E556F443-R552 HydrophobicContact CE1-CB 4.13Å; F443-R552 HydrophobicContact CE2-CB 4.4Å; F443-R552 HydrophobicContact CZ-CB 3.65Å; L548-R552 WeakPolarHBondContact O-CB 3.07Å; L548-R552 PolarHBondContact O-N 3.01Å; H549-R552 PolarHBondContact O-N 3.14Å; L550-R552 VanDerWaalsContact C-N 3.34Å; L550-R552 PolarHBondContact O-N 2.99Å; R552-L554 VanDerWaalsContact C-N 3.33Å; R552-L554 PolarHBondContact O-N 2.85Å; R552-R555 PolarHBondContact O-N 3.33Å; R552-E556 PolarHBondContact O-N 2.87Å; R552-E556 VanDerWaalsContact O-N 3.07Å
553A96.3Very high95.8Very high3 Ų323.5 Ų23.53%0.02510%0.1CC..Hα-helixtrans-59.9-43.3173.600000111.8L123 T127 L482 H549 L550 E556 L557L123-A553 HydrophobicContact CD2-CB 4.04Å; T127-A553 HydrophobicContact CG2-CB 3.37Å; L482-A553 HydrophobicContact CD1-CB 3.9Å; L482-A553 HydrophobicContact CD2-CB 3.8Å; H549-A553 PolarHBondContact O-N 3.39Å; L550-A553 WeakPolarHBondContact O-CB 3.22Å; L550-A553 PolarHBondContact O-N 3.27Å; A553-E556 PolarHBondContact O-N 3.4Å; A553-L557 WeakPolarHBondContact O-CB 3.39Å; A553-L557 PolarHBondContact O-N 2.89Å
554L96.6Very high95.8Very high0 Ų020.7 Ų20.70%09%0.087CC..Hα-helixtrans-65.1-39.3175.5-70.2179.4000112.9L477 L482 L519 F523 L550 L551 R552 L557 Y558L477-L554 HydrophobicContact CB-CD1 4.08Å; L477-L554 HydrophobicContact CD1-CD1 3.85Å; L477-L554 HydrophobicContact CD2-CD1 3.92Å; L477-L554 HydrophobicContact CG-CD1 4.16Å; L482-L554 HydrophobicContact CD1-CD2 4.29Å; L482-L554 HydrophobicContact CD2-CD2 4.35Å; L482-L554 HydrophobicContact CG-CD2 4Å; L519-L554 HydrophobicContact CD1-CD2 3.96Å; F523-L554 HydrophobicContact CD2-CD1 4.44Å; L550-L554 WeakPolarHBondContact O-CG 3.33Å; L550-L554 PolarHBondContact O-N 3.15Å; L551-L554 HydrophobicContact CD2-CD1 3.87Å; L551-L554 PolarHBondContact O-N 3.03Å; R552-L554 VanDerWaalsContact C-N 3.33Å; R552-L554 PolarHBondContact O-N 2.85Å; L554-L557 WeakPolarHBondContact O-CB 3.47Å; L554-L557 PolarHBondContact O-N 2.86Å; L554-Y558 VanDerWaalsContact O-CD2 3.25Å; L554-Y558 WeakPolarHBondContact O-CD2 3.33Å; L554-Y558 PolarHBondContact O-N 3.05Å
555R95.6Very high95.7Very high49 Ų4920.1 Ų20.119%0.1858%0.084CC..Hα-helixtrans-58.5-49.1175.5-176.7-17871.4177.53.3110.9L439 F443 L551 R552 L557 Y558 H559L439-R555 HydrophobicContact CB-CB 4.42Å; L439-R555 HydrophobicContact CB-CG 4.42Å; L439-R555 HydrophobicContact CD1-CB 4.27Å; F443-R555 HydrophobicContact CE2-CB 4.43Å; L551-R555 PolarHBondContact O-N 3.15Å; R552-R555 PolarHBondContact O-N 3.33Å; R555-L557 VanDerWaalsContact C-N 3.31Å; R555-L557 PolarHBondContact O-N 3.19Å; R555-Y558 WeakPolarHBondContact O-CB 3.4Å; R555-Y558 PolarHBondContact O-N 2.93Å; R555-H559 PolarHBondContact O-CD2 3.46Å; R555-H559 VanDerWaalsContact O-CD2 3.27Å; R555-H559 VanDerWaalsContact O-CG 3.3Å; R555-H559 PolarHBondContact O-N 2.87Å
556E95.3Very high95.7Very high56 Ų5622.1 Ų22.126%0.26210%0.095SC..Hα-helixtrans-63.7-39.7177.5-17363.3-166.400111.2L131 R552 A553 Y558 H559 R560L131-E556 HydrophobicContact CD1-CB 3.64Å; L131-E556 HydrophobicContact CD1-CG 3.28Å; R552-E556 PolarHBondContact O-N 2.87Å; R552-E556 VanDerWaalsContact O-N 3.07Å; A553-E556 PolarHBondContact O-N 3.4Å; E556-Y558 PolarHBondContact O-N 3.27Å; E556-H559 PolarHBondContact O-N 2.81Å; E556-R560 HydrophobicContact CG-CG 4.35Å; E556-R560 VanDerWaalsContact O-CG 3.26Å; E556-R560 WeakPolarHBondContact O-CG 3.47Å; E556-R560 PolarHBondContact O-N 2.9Å; E556-R560 IonicContact OE1-CZ 3.53Å; E556-R560 IonicContact OE1-NE 2.79Å; E556-R560 PolarHBondContact OE1-NE 2.95Å; E556-R560 IonicContact OE1-NH2 3.35Å; E556-R560 PolarHBondContact OE1-NH2 2.88Å
557L96.5Very high95.6Very high0 Ų022.2 Ų22.20%010%0.095CC..Hα-helixtrans-59.9-42.6174.1-179.7154.2000112.5L131 L482 F485 F515 L519 A553 L554 R555 H559 R560 A561L131-L557 HydrophobicContact CD2-CB 3.67Å; L131-L557 HydrophobicContact CD2-CD1 4.14Å; L131-L557 HydrophobicContact CD2-CG 4.13Å; L482-L557 HydrophobicContact CD2-CB 4.28Å; L482-L557 HydrophobicContact CD2-CD1 3.65Å; L482-L557 HydrophobicContact CG-CD1 4.19Å; F485-L557 HydrophobicContact CB-CD1 3.95Å; F485-L557 HydrophobicContact CD1-CD1 4.3Å; F485-L557 HydrophobicContact CD1-CG 4.2Å; F485-L557 HydrophobicContact CD2-CD1 4.44Å; F485-L557 HydrophobicContact CD2-CG 4.32Å; F485-L557 HydrophobicContact CE1-CG 4.46Å; F485-L557 HydrophobicContact CG-CD1 3.99Å; F485-L557 HydrophobicContact CG-CG 4.13Å; F515-L557 HydrophobicContact CE1-CD2 3.57Å; F515-L557 HydrophobicContact CE1-CG 4.4Å; F515-L557 HydrophobicContact CZ-CD1 4.15Å; F515-L557 HydrophobicContact CZ-CD2 3.82Å; F515-L557 HydrophobicContact CZ-CG 4.38Å; L519-L557 HydrophobicContact CD2-CD2 3.34Å; A553-L557 WeakPolarHBondContact O-CB 3.39Å; A553-L557 PolarHBondContact O-N 2.89Å; L554-L557 WeakPolarHBondContact O-CB 3.47Å; L554-L557 PolarHBondContact O-N 2.86Å; R555-L557 VanDerWaalsContact C-N 3.31Å; R555-L557 PolarHBondContact O-N 3.19Å; L557-H559 VanDerWaalsContact C-N 3.35Å; L557-R560 PolarHBondContact O-N 3.26Å; L557-A561 VanDerWaalsContact O-CB 3.31Å; L557-A561 WeakPolarHBondContact O-CB 3.36Å; L557-A561 PolarHBondContact O-N 3.11Å
558Y96.4Very high95.4Very high0 Ų024.6 Ų24.60%011%0.114CC..Hα-helixtrans-57.4-49.1172.5-92.5-72.9000111.3V432 L439 L516 L519 S520 L554 R555 E556 R560 A561 L562V432-Y558 HydrophobicContact CG1-CD1 4.36Å; V432-Y558 HydrophobicContact CG1-CE1 4.08Å; L439-Y558 HydrophobicContact CD1-CD2 3.56Å; L439-Y558 HydrophobicContact CD1-CE2 3.72Å; L516-Y558 HydrophobicContact CD2-CD1 3.71Å; L516-Y558 HydrophobicContact CD2-CE1 4.03Å; L519-Y558 HydrophobicContact CD2-CD1 4.25Å; L519-Y558 HydrophobicContact CD2-CD2 4.03Å; L519-Y558 HydrophobicContact CD2-CE1 3.9Å; L519-Y558 HydrophobicContact CD2-CE2 3.66Å; L519-Y558 HydrophobicContact CD2-CG 4.31Å; L519-Y558 HydrophobicContact CG-CE1 4.33Å; L519-Y558 HydrophobicContact CG-CE2 3.94Å; S520-Y558 WeakPolarHBondContact CA-OH 3.18Å; S520-Y558 WeakPolarHBondContact CB-OH 3.29Å; S520-Y558 PolarHBondContact N-OH 3.49Å; S520-Y558 WeakPolarHBondContact OG-CE1 3.37Å; S520-Y558 PolarHBondContact OG-OH 3.4Å; L554-Y558 VanDerWaalsContact O-CD2 3.25Å; L554-Y558 WeakPolarHBondContact O-CD2 3.33Å; L554-Y558 PolarHBondContact O-N 3.05Å; R555-Y558 WeakPolarHBondContact O-CB 3.4Å; R555-Y558 PolarHBondContact O-N 2.93Å; E556-Y558 PolarHBondContact O-N 3.27Å; Y558-R560 PolarHBondContact O-N 2.88Å; Y558-A561 PolarHBondContact O-N 2.85Å; Y558-L562 VanDerWaalsContact O-CB 3.27Å; Y558-L562 WeakPolarHBondContact O-CB 3.38Å; Y558-L562 VanDerWaalsContact O-CG 3.25Å; Y558-L562 WeakPolarHBondContact O-CG 3.38Å; Y558-L562 PolarHBondContact O-N 3.38Å
559H95.3Very high94.9Very high21 Ų2126.9 Ų26.910%0.09713%0.129CC..Hα-helixtrans-59.8-48.9-179.7-63.7178.4000110.7H440 R555 E556 L557 A561 L562 E563H440-H559 AromaticContact CD2-NE2 3.85Å; H440-H559 AromaticContact NE2-CE1 3.4Å; H440-H559 PolarHBondContact NE2-CE1 2.79Å; H440-H559 AromaticContact NE2-NE2 3.34Å; H440-H559 PolarHBondContact NE2-NE2 2.72Å; R555-H559 PolarHBondContact O-CD2 3.46Å; R555-H559 VanDerWaalsContact O-CD2 3.27Å; R555-H559 VanDerWaalsContact O-CG 3.3Å; R555-H559 PolarHBondContact O-N 2.87Å; E556-H559 PolarHBondContact O-N 2.81Å; L557-H559 VanDerWaalsContact C-N 3.35Å; H559-A561 PolarHBondContact O-N 2.9Å; H559-L562 PolarHBondContact O-N 3.36Å; H559-E563 VanDerWaalsContact O-CB 3.32Å; H559-E563 WeakPolarHBondContact O-CB 3.25Å; H559-E563 WeakPolarHBondContact O-CG 3.37Å; H559-E563 PolarHBondContact O-N 3.08Å
560R95.2Very high94.4Very high81 Ų8126.2 Ų26.231%0.30613%0.126SC..Hα-helixtrans-61.5-42.3179.3-64.5-63170.9-165.64.7112.9L131 F485 E556 L557 Y558 E563 T564L131-R560 HydrophobicContact CB-CG 4.3Å; F485-R560 HydrophobicContact CE1-CB 3.98Å; F485-R560 HydrophobicContact CZ-CB 4.14Å; E556-R560 HydrophobicContact CG-CG 4.35Å; E556-R560 VanDerWaalsContact O-CG 3.26Å; E556-R560 WeakPolarHBondContact O-CG 3.47Å; E556-R560 PolarHBondContact O-N 2.9Å; E556-R560 IonicContact OE1-CZ 3.53Å; E556-R560 IonicContact OE1-NE 2.79Å; E556-R560 PolarHBondContact OE1-NE 2.95Å; E556-R560 IonicContact OE1-NH2 3.35Å; E556-R560 PolarHBondContact OE1-NH2 2.88Å; L557-R560 PolarHBondContact O-N 3.26Å; Y558-R560 PolarHBondContact O-N 2.88Å; R560-E563 IonicContact CZ-OE2 2.9Å; R560-E563 IonicContact NH1-OE1 3.91Å; R560-E563 IonicContact NH1-OE2 3.1Å; R560-E563 PolarHBondContact NH1-OE2 2.99Å; R560-T564 WeakPolarHBondContact O-CG2 3.38Å; R560-T564 PolarHBondContact O-N 3.12Å
561A95.8Very high93.3Very high0 Ų035.6 Ų35.60%016%0.161CC..Hα-helixtrans-68.3-42.8177.500000112.1F485 I512 L516 L557 Y558 H559 T564F485-A561 HydrophobicContact CE2-CB 3.86Å; F485-A561 HydrophobicContact CZ-CB 3.95Å; I512-A561 HydrophobicContact CG2-CB 4.42Å; L516-A561 HydrophobicContact CD1-CB 4.15Å; L516-A561 HydrophobicContact CD2-CB 3.66Å; L516-A561 HydrophobicContact CG-CB 3.99Å; L557-A561 VanDerWaalsContact O-CB 3.31Å; L557-A561 WeakPolarHBondContact O-CB 3.36Å; L557-A561 PolarHBondContact O-N 3.11Å; Y558-A561 PolarHBondContact O-N 2.85Å; H559-A561 PolarHBondContact O-N 2.9Å; A561-T564 PolarHBondContact O-N 3.42Å; A561-T564 PolarHBondContact O-OG1 3.39Å
562L95.9Very high92.2Very high0 Ų041.1 Ų41.10%019%0.187CC..Hα-helixtrans-68.3-34.7177.6-73.1170.4000112.6V432 M433 C436 L516 Y558 H559 T564 L565 N566 L567V432-L562 HydrophobicContact CG1-CD2 4Å; M433-L562 HydrophobicContact SD-CD1 3.94Å; M433-L562 HydrophobicContact SD-CD2 3.78Å; C436-L562 HydrophobicContact CB-CD1 4.3Å; L516-L562 HydrophobicContact CD1-CD2 3.86Å; L516-L562 HydrophobicContact CD1-CG 4.29Å; Y558-L562 VanDerWaalsContact O-CB 3.27Å; Y558-L562 WeakPolarHBondContact O-CB 3.38Å; Y558-L562 VanDerWaalsContact O-CG 3.25Å; Y558-L562 WeakPolarHBondContact O-CG 3.38Å; Y558-L562 PolarHBondContact O-N 3.38Å; H559-L562 PolarHBondContact O-N 3.36Å; L562-T564 PolarHBondContact O-N 3.31Å; L562-L565 CarbonylContact O-C 3.58Å; L562-L565 WeakPolarHBondContact O-CA 3.46Å; L562-L565 WeakPolarHBondContact O-CB 3.45Å; L562-L565 PolarHBondContact O-N 3.18Å; L562-N566 PolarHBondContact O-N 3.03Å; L562-L567 CarbonylContact C-O 3.52Å; L562-L567 HydrophobicContact CB-CB 4.28Å; L562-L567 WeakPolarHBondContact CB-O 3.36Å; L562-L567 HydrophobicContact CD2-CB 4.13Å; L562-L567 HydrophobicContact CD2-CD1 4.03Å; L562-L567 PolarHBondContact O-N 3.13Å
563E94.3Very high90.7Very high63 Ų6338.8 Ų38.829%0.29418%0.181SC..Hα-helixtrans-58.5-34172.2-78.9169.9-175.400111.3R180 H559 R560 L565 N566R180-E563 IonicContact CZ-OE2 3.96Å; R180-E563 IonicContact NH1-OE2 3.89Å; R180-E563 IonicContact NH2-OE2 3.05Å; R180-E563 PolarHBondContact NH2-OE2 3.05Å; H559-E563 VanDerWaalsContact O-CB 3.32Å; H559-E563 WeakPolarHBondContact O-CB 3.25Å; H559-E563 WeakPolarHBondContact O-CG 3.37Å; H559-E563 PolarHBondContact O-N 3.08Å; R560-E563 IonicContact CZ-OE2 2.9Å; R560-E563 IonicContact NH1-OE1 3.91Å; R560-E563 IonicContact NH1-OE2 3.1Å; R560-E563 PolarHBondContact NH1-OE2 2.99Å; E563-L565 PolarHBondContact O-N 3.35Å; E563-N566 PolarHBondContact O-N 2.88Å
564T93.9Very high90.5Very high0 Ų040.6 Ų40.60%019%0.189CC..THydrogen-bonded Turntrans-66.4-17.6174.5740000113.6H173 A176 L177 L489 R560 A561 L562H173-T564 PolarHBondContact ND1-O 2.87Å; A176-T564 WeakPolarHBondContact CB-O 3.4Å; L177-T564 HydrophobicContact CD2-CG2 3.77Å; L177-T564 HydrophobicContact CG-CG2 4.46Å; L489-T564 HydrophobicContact CD2-CG2 4.25Å; R560-T564 WeakPolarHBondContact O-CG2 3.38Å; R560-T564 PolarHBondContact O-N 3.12Å; A561-T564 PolarHBondContact O-N 3.42Å; A561-T564 PolarHBondContact O-OG1 3.39Å; L562-T564 PolarHBondContact O-N 3.31Å
565L95Very high90.1Very high0 Ų042.7 Ų42.70%020%0.199CC..THydrogen-bonded Turntrans-103.18176-63.4170.5000111.3R399 F400 L403 I512 L516 L562 E563 L567R399-L565 WeakPolarHBondContact CD-O 3.05Å; R399-L565 PolarHBondContact NE-O 2.88Å; F400-L565 HydrophobicContact CE2-CD1 4.04Å; F400-L565 HydrophobicContact CZ-CD1 4.25Å; L403-L565 HydrophobicContact CD1-CD2 3.89Å; I512-L565 HydrophobicContact CG2-CD1 4.18Å; I512-L565 HydrophobicContact CG2-CG 4.33Å; L516-L565 HydrophobicContact CD1-CD1 3.89Å; L562-L565 CarbonylContact O-C 3.58Å; L562-L565 WeakPolarHBondContact O-CA 3.46Å; L562-L565 WeakPolarHBondContact O-CB 3.45Å; L562-L565 PolarHBondContact O-N 3.18Å; E563-L565 PolarHBondContact O-N 3.35Å; L565-L567 HydrophobicContact CB-CD1 3.96Å; L565-L567 HydrophobicContact CB-CG 4.01Å; L565-L567 HydrophobicContact CD1-CD1 4.27Å; L565-L567 PolarHBondContact O-N 2.75Å
566N94.1Very high89.8Confident54 Ų5442.3 Ų42.329%0.28920%0.2SC..THydrogen-bonded Turntrans49.638.8-172.5-66.7-39.4000113D172 G205 L562 E563D172-N566 PolarHBondContact OD1-ND2 3.07Å; D172-N566 PolarHBondContact OD2-ND2 2.94Å; G205-N566 WeakPolarHBondContact O-CB 3.3Å; L562-N566 PolarHBondContact O-N 3.03Å; E563-N566 PolarHBondContact O-N 2.88Å
567L94.6Very high89.5Confident2 Ų241.5 Ų41.51%0.0120%0.196CC..  trans-104.9110.6174.3-66.2175.1000108.4A396 F400 L562 L565A396-L567 HydrophobicContact CB-CD1 3.89Å; A396-L567 HydrophobicContact CB-CD2 3.98Å; F400-L567 HydrophobicContact CD2-CD1 4.47Å; F400-L567 HydrophobicContact CE2-CD1 4.01Å; L562-L567 CarbonylContact C-O 3.52Å; L562-L567 HydrophobicContact CB-CB 4.28Å; L562-L567 WeakPolarHBondContact CB-O 3.36Å; L562-L567 HydrophobicContact CD2-CB 4.13Å; L562-L567 HydrophobicContact CD2-CD1 4.03Å; L562-L567 PolarHBondContact O-N 3.13Å; L565-L567 HydrophobicContact CB-CD1 3.96Å; L565-L567 HydrophobicContact CB-CG 4.01Å; L565-L567 HydrophobicContact CD1-CD1 4.27Å; L565-L567 PolarHBondContact O-N 2.75Å
568P91.7Very high89.1Confident71 Ų7144.1 Ų44.146%0.46121%0.208SC..PPolyproline II helixtrans-69.4144176.829.1-34.2000110.1V392 M433V392-P568 HydrophobicContact CG1-CG 4.18Å; V392-P568 HydrophobicContact CG2-CG 3.65Å; M433-P568 WeakPolarHBondContact CE-O 3.04Å
569P85.6Confident88.6Confident48 Ų4847.1 Ų47.131%0.31222%0.222SC..PPolyproline II helixtrans-65.1142.717428.6-33.7000110.1
570I84.5Confident88.1Confident10 Ų1048.9 Ų48.95%0.05123%0.231CC..PPolyproline II helixtrans-102.413817653.9171.3000109.6V392 M393 M433 A437 L573V392-I570 HydrophobicContact CB-CG2 4.29Å; V392-I570 HydrophobicContact CG1-CG2 3.79Å; M393-I570 HydrophobicContact SD-CD1 3.87Å; M433-I570 HydrophobicContact CB-CD1 3.82Å; M433-I570 HydrophobicContact CB-CG1 4.41Å; M433-I570 HydrophobicContact CE-CD1 4.43Å; M433-I570 HydrophobicContact CE-CG1 4.06Å; M433-I570 HydrophobicContact CE-CG2 4.07Å; A437-I570 WeakPolarHBondContact CA-O 3.42Å; A437-I570 HydrophobicContact CB-CD1 4.27Å; A437-I570 HydrophobicContact CB-CG1 4.11Å; I570-L573 HydrophobicContact CD1-CB 3.7Å; I570-L573 HydrophobicContact CD1-CD1 3.29Å; I570-L573 HydrophobicContact CD1-CD2 4.42Å; I570-L573 HydrophobicContact CD1-CG 3.96Å
571R74.8Confident87.6Confident197 Ų19746.5 Ų46.574%0.74323%0.225SC*.SBendtrans-78.5-27.7-176.2-63.6-173.3-179.9-170.10.1113.1
572Q72.4Confident86.9Confident116 Ų11650.3 Ų50.354%0.54224%0.244SC..  trans-150.3143.6-177.262.5-175.68.300111.3
573L65.9Low86.1Confident43 Ų4354.9 Ų54.923%0.22527%0.266CS..  trans-162.50175.9-155.2107000114.9K376 Y377 I389 M393 Y434 A437 I570K376-L573 PolarHBondContact NZ-OXT 2.68Å; Y377-L573 PolarHBondContact OH-O 2.91Å; Y377-L573 PolarHBondContact OH-OXT 2.74Å; I389-L573 HydrophobicContact CG2-CD1 3.59Å; M393-L573 HydrophobicContact CE-CD1 3.87Å; M393-L573 HydrophobicContact CE-CD2 3.56Å; M393-L573 HydrophobicContact CE-CG 4.37Å; M393-L573 HydrophobicContact CG-CD1 3.71Å; M393-L573 HydrophobicContact SD-CD1 3.59Å; M393-L573 VanDerWaalsContact SD-CD1 3.59Å; M393-L573 HydrophobicContact SD-CD2 4.26Å; Y434-L573 HydrophobicContact CD2-CB 4.38Å; Y434-L573 HydrophobicContact CD2-CD2 4.19Å; A437-L573 HydrophobicContact CB-CB 3.85Å; I570-L573 HydrophobicContact CD1-CB 3.7Å; I570-L573 HydrophobicContact CD1-CD1 3.29Å; I570-L573 HydrophobicContact CD1-CD2 4.42Å; I570-L573 HydrophobicContact CD1-CG 3.96Å

Retrieved 573 of 573 residues in 164.8 ms (Link to these results)

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