A0A061HVX4_CRIGR Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A061HVX4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Zdhhc15, Length 337 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
1M46.3Very low47.3Very low209 Ų209132.6 Ų132.6100%1.0364%0.644SS**  0-51.50-105.8171.1169.500114.9R3 G4 W5M1-R3 PolarHBondContact O-N 3.46Å; M1-G4 PolarHBondContact O-N 3.25Å; M1-W5 PolarHBondContact O-N 3.32Å
2R42.4Very low48.8Very low232 Ų232124.6 Ų124.688%0.87562%0.621SS**Hα-helixtrans-62.2-29.5-176.5-80.4-178.1174.7-169-1.7116.9
3R41.8Very low50.5Low223 Ų223124.2 Ų124.284%0.84262%0.622SS**Hα-helixtrans-71.9-35.9174.6-98.6-179.6175.8179.8-1.6113M1 K6 M7M1-R3 PolarHBondContact O-N 3.46Å; R3-K6 PolarHBondContact O-N 2.93Å; R3-M7 WeakPolarHBondContact O-CG 3.41Å; R3-M7 PolarHBondContact O-N 3.37Å
4G41.7Very low51.9Low39 Ų39127 Ų12740%0.40262%0.621SS.*Hα-helixtrans-67.6-37.5178.800000112.9M1 M7 A8M1-G4 PolarHBondContact O-N 3.25Å; G4-M7 PolarHBondContact O-N 3.18Å; G4-A8 WeakPolarHBondContact O-CB 3.46Å; G4-A8 PolarHBondContact O-N 3.5Å
5W40.4Very low53.4Low194 Ų194123.7 Ų123.774%0.73562%0.615SS**Hα-helixtrans-68.5-38.6176.8-78.826.8000113.1M1 A8 L9M1-W5 PolarHBondContact O-N 3.32Å; W5-A8 PolarHBondContact O-N 3.23Å; W5-L9 WeakPolarHBondContact O-CB 3.26Å; W5-L9 WeakPolarHBondContact O-CD1 3.26Å; W5-L9 PolarHBondContact O-N 3.46Å
6K40.6Very low55Low169 Ų169120.8 Ų120.874%0.73561%0.609SS**Hα-helixtrans-66.6-35.5173.2-73.5-172.5175.7-171.90112.5R3 S10R3-K6 PolarHBondContact O-N 2.93Å; K6-S10 WeakPolarHBondContact O-CB 3.25Å; K6-S10 PolarHBondContact O-N 3.12Å; K6-S10 PolarHBondContact O-OG 2.87Å
7M46.8Very low56.6Low132 Ų132122.4 Ų122.465%0.6561%0.606SS**Hα-helixtrans-71.6-39.4175.1-69.2-160-58.700112.5R3 G4 S10 G11R3-M7 WeakPolarHBondContact O-CG 3.41Å; R3-M7 PolarHBondContact O-N 3.37Å; G4-M7 PolarHBondContact O-N 3.18Å; M7-S10 WeakPolarHBondContact CA-OG 3.37Å; M7-S10 PolarHBondContact O-N 3.5Å; M7-S10 PolarHBondContact O-OG 3.13Å; M7-G11 PolarHBondContact O-N 2.86Å
8A50.4Low58Low68 Ų68126.2 Ų126.256%0.56261%0.612SS**Hα-helixtrans-69.1-42.6175.300000112.6G4 W5 S10 G11 G12G4-A8 WeakPolarHBondContact O-CB 3.46Å; G4-A8 PolarHBondContact O-N 3.5Å; W5-A8 PolarHBondContact O-N 3.23Å; A8-S10 VanDerWaalsContact C-N 3.35Å; A8-S10 PolarHBondContact O-N 3.48Å; A8-G11 PolarHBondContact O-N 3.47Å; A8-G12 PolarHBondContact O-N 2.89Å
9L47.6Very low59.5Low116 Ų116124.5 Ų124.561%0.60761%0.61SS**Hα-helixtrans-60.8-42.7172.1-106.494.3000111.6W5 G11 G12 L13W5-L9 WeakPolarHBondContact O-CB 3.26Å; W5-L9 WeakPolarHBondContact O-CD1 3.26Å; W5-L9 PolarHBondContact O-N 3.46Å; L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.47Å; L9-G12 PolarHBondContact O-N 3.12Å; L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 PolarHBondContact O-N 3.43Å
10S60.3Low61Low44 Ų44124.1 Ų124.131%0.30861%0.61SS.*Hα-helixtrans-70-29.117770.70000112.8K6 M7 A8 R14K6-S10 WeakPolarHBondContact O-CB 3.25Å; K6-S10 PolarHBondContact O-N 3.12Å; K6-S10 PolarHBondContact O-OG 2.87Å; M7-S10 WeakPolarHBondContact CA-OG 3.37Å; M7-S10 PolarHBondContact O-N 3.5Å; M7-S10 PolarHBondContact O-OG 3.13Å; A8-S10 VanDerWaalsContact C-N 3.35Å; A8-S10 PolarHBondContact O-N 3.48Å; S10-R14 VanDerWaalsContact O-CB 3.27Å; S10-R14 WeakPolarHBondContact O-CB 3.48Å; S10-R14 WeakPolarHBondContact O-CG 2.9Å; S10-R14 PolarHBondContact O-N 2.88Å; S10-R14 VanDerWaalsContact O-N 3.11Å; S10-R14 PolarHBondContact O-NE 3.02Å; S10-R14 PolarHBondContact OG-NH2 2.95Å; S10-R14 VanDerWaalsContact OG-NH2 3.09Å
11G62.3Low62.5Low33 Ų33120 Ų12034%0.3459%0.594SS.*Hα-helixtrans-68.9-47.8171.400000112.2M7 A8 L9 R14 C15M7-G11 PolarHBondContact O-N 2.86Å; A8-G11 PolarHBondContact O-N 3.47Å; L9-G11 VanDerWaalsContact C-N 3.33Å; L9-G11 PolarHBondContact O-N 3.47Å; G11-R14 PolarHBondContact O-N 3.19Å; G11-C15 WeakPolarHBondContact O-CB 3.39Å; G11-C15 PolarHBondContact O-N 2.87Å
12G64.6Low64.9Low36 Ų36114.4 Ų114.437%0.37156%0.561SS.*Hα-helixtrans-61.1-46.9175.400000112.7A8 L9 R14 C15 C16A8-G12 PolarHBondContact O-N 2.89Å; L9-G12 PolarHBondContact O-N 3.12Å; G12-R14 VanDerWaalsContact C-N 3.33Å; G12-R14 PolarHBondContact O-N 2.89Å; G12-C15 WeakPolarHBondContact O-CB 3.32Å; G12-C15 PolarHBondContact O-N 2.95Å; G12-C16 PolarHBondContact O-N 2.82Å; G12-C16 PolarHBondContact O-SG 3.15Å; G12-C16 VanDerWaalsContact O-SG 3.4Å
13L71Confident67.5Low120 Ų120106.8 Ų106.863%0.62854%0.54SS*.Hα-helixtrans-61.9-38.1174.6-100.174.9000112.5L9 R17L9-L13 WeakPolarHBondContact O-CB 3.44Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 PolarHBondContact O-N 3.43Å; L13-R17 WeakPolarHBondContact O-CB 3.31Å; L13-R17 PolarHBondContact O-N 3.01Å
14R70.9Confident70.2Confident163 Ų16397.7 Ų97.762%0.61551%0.51SS*.Hα-helixtrans-66.9-38.6175.4-80.6179.4-73.2-169.6-1111.9S10 G11 G12 R18S10-R14 VanDerWaalsContact O-CB 3.27Å; S10-R14 WeakPolarHBondContact O-CB 3.48Å; S10-R14 WeakPolarHBondContact O-CG 2.9Å; S10-R14 PolarHBondContact O-N 2.88Å; S10-R14 VanDerWaalsContact O-N 3.11Å; S10-R14 PolarHBondContact O-NE 3.02Å; S10-R14 PolarHBondContact OG-NH2 2.95Å; S10-R14 VanDerWaalsContact OG-NH2 3.09Å; G11-R14 PolarHBondContact O-N 3.19Å; G12-R14 VanDerWaalsContact C-N 3.33Å; G12-R14 PolarHBondContact O-N 2.89Å; R14-R18 WeakPolarHBondContact O-CB 3.4Å; R14-R18 PolarHBondContact O-N 3.15Å
15C74Confident72.8Confident78 Ų7896.3 Ų96.353%0.52749%0.494SS..Hα-helixtrans-64.6-51.1174.3-173.40000111.2G11 G12 R17 R18 V19G11-C15 WeakPolarHBondContact O-CB 3.39Å; G11-C15 PolarHBondContact O-N 2.87Å; G12-C15 WeakPolarHBondContact O-CB 3.32Å; G12-C15 PolarHBondContact O-N 2.95Å; C15-R17 VanDerWaalsContact C-N 3.34Å; C15-R17 PolarHBondContact O-N 2.83Å; C15-R18 WeakPolarHBondContact O-CB 3.47Å; C15-R18 PolarHBondContact O-N 3Å; C15-R18 VanDerWaalsContact O-N 3.1Å; C15-V19 WeakPolarHBondContact O-CG2 3.27Å; C15-V19 PolarHBondContact O-N 3.14Å
16C79.6Confident75.6Confident76 Ų7691.8 Ų91.851%0.51448%0.484SS..Hα-helixtrans-57.9-45.2176.3-690000111.8G12 R18 V19 L20G12-C16 PolarHBondContact O-N 2.82Å; G12-C16 PolarHBondContact O-SG 3.15Å; G12-C16 VanDerWaalsContact O-SG 3.4Å; C16-R18 VanDerWaalsContact C-N 3.31Å; C16-R18 PolarHBondContact O-N 3.42Å; C16-V19 PolarHBondContact O-N 3.24Å; C16-L20 WeakPolarHBondContact O-CB 3.36Å; C16-L20 VanDerWaalsContact O-CG 3.25Å; C16-L20 WeakPolarHBondContact O-CG 3.33Å; C16-L20 PolarHBondContact O-N 2.6Å
17R80.6Confident78.3Confident148 Ų14887.1 Ų87.156%0.55847%0.469SS*.Hα-helixtrans-61-39176.5-173.8177.4177.4-150.8-2.2112.2L13 C15 S21L13-R17 WeakPolarHBondContact O-CB 3.31Å; L13-R17 PolarHBondContact O-N 3.01Å; C15-R17 VanDerWaalsContact C-N 3.34Å; C15-R17 PolarHBondContact O-N 2.83Å; R17-S21 WeakPolarHBondContact O-CB 3.41Å; R17-S21 PolarHBondContact O-N 3.25Å
18R81.9Confident80.7Confident191 Ų19181.8 Ų81.872%0.72144%0.443SS*.Hα-helixtrans-68.3-35.5177.3-171.8177.2-176.8177.80.7112.3R14 C15 C16 S21R14-R18 WeakPolarHBondContact O-CB 3.4Å; R14-R18 PolarHBondContact O-N 3.15Å; C15-R18 WeakPolarHBondContact O-CB 3.47Å; C15-R18 PolarHBondContact O-N 3Å; C15-R18 VanDerWaalsContact O-N 3.1Å; C16-R18 VanDerWaalsContact C-N 3.31Å; C16-R18 PolarHBondContact O-N 3.42Å; R18-S21 PolarHBondContact O-OG 3.11Å
19V86.4Confident82.9Confident95 Ų9581.2 Ų81.258%0.57643%0.432SS*.Hα-helixtrans-72-47.2174.6174.70000110.4C15 C16 S21 W22C15-V19 WeakPolarHBondContact O-CG2 3.27Å; C15-V19 PolarHBondContact O-N 3.14Å; C16-V19 PolarHBondContact O-N 3.24Å; V19-S21 PolarHBondContact O-N 3.47Å; V19-W22 WeakPolarHBondContact O-CB 3.28Å; V19-W22 PolarHBondContact O-N 3.04Å; V19-W22 VanDerWaalsContact O-N 3.11Å
20L91.3Very high85.4Confident116 Ų11681.3 Ų81.361%0.60743%0.433SS*.Hα-helixtrans-63.8-28.3-179.4-70.7172.9000112.9C16 W22 V23C16-L20 WeakPolarHBondContact O-CB 3.36Å; C16-L20 VanDerWaalsContact O-CG 3.25Å; C16-L20 WeakPolarHBondContact O-CG 3.33Å; C16-L20 PolarHBondContact O-N 2.6Å; L20-W22 PolarHBondContact O-N 3.45Å; L20-V23 HydrophobicContact CD2-CG2 4.32Å; L20-V23 WeakPolarHBondContact O-CB 3.17Å; L20-V23 WeakPolarHBondContact O-CG2 3.16Å; L20-V23 PolarHBondContact O-N 3.27Å; L20-V23 VanDerWaalsContact O-N 3.11Å
21S91.9Very high87.1Confident38 Ų3881.2 Ų81.227%0.26643%0.43SS..THydrogen-bonded Turntrans-67.4-16.117782.50000113.7R17 R18 V19 P24 N163R17-S21 WeakPolarHBondContact O-CB 3.41Å; R17-S21 PolarHBondContact O-N 3.25Å; R18-S21 PolarHBondContact O-OG 3.11Å; V19-S21 PolarHBondContact O-N 3.47Å; S21-P24 WeakPolarHBondContact O-CD 3.5Å; S21-N163 VanDerWaalsContact CB-OD1 3.23Å; S21-N163 WeakPolarHBondContact CB-OD1 3.47Å; S21-N163 VanDerWaalsContact O-CG 3.27Å; S21-N163 PolarHBondContact O-OD1 3.05Å; S21-N163 PolarHBondContact OG-ND2 3.02Å; S21-N163 PolarHBondContact OG-OD1 2.85Å
22W96.5Very high88.8Confident92 Ų9280.7 Ų80.735%0.34842%0.421SS..THydrogen-bonded Turntrans-83.8-12.6173.1-73.1100.1000113.9V19 L20 V25 L26 I76 F77 N163V19-W22 WeakPolarHBondContact O-CB 3.28Å; V19-W22 PolarHBondContact O-N 3.04Å; V19-W22 VanDerWaalsContact O-N 3.11Å; L20-W22 PolarHBondContact O-N 3.45Å; W22-V25 HydrophobicContact CE3-CB 4.03Å; W22-V25 HydrophobicContact CE3-CG1 4.05Å; W22-V25 HydrophobicContact CE3-CG2 4.12Å; W22-V25 HydrophobicContact CZ3-CG1 4.19Å; W22-V25 HydrophobicContact CZ3-CG2 4.38Å; W22-V25 WeakPolarHBondContact O-CB 3.48Å; W22-V25 PolarHBondContact O-N 2.91Å; W22-V25 VanDerWaalsContact O-N 3.1Å; W22-L26 WeakPolarHBondContact O-CG 3.3Å; W22-L26 PolarHBondContact O-N 2.87Å; W22-I76 HydrophobicContact CH2-CG2 3.91Å; W22-I76 HydrophobicContact CZ3-CG2 3.84Å; W22-F77 HydrophobicContact CH2-CE1 4.03Å; W22-F77 HydrophobicContact CH2-CZ 4.37Å; W22-N163 HydrophobicContact CE3-CB 4.28Å; W22-N163 WeakPolarHBondContact CZ2-ND2 3.36Å; W22-N163 HydrophobicContact CZ3-CB 4.4Å; W22-N163 PolarHBondContact NE1-ND2 3.2Å
23V96.8Very high90.4Very high72 Ų7283.9 Ų83.944%0.43643%0.429SS..Hα-helixtrans-54.6-46.5-177.6172.30000112.5L20 V25 L26 V27L20-V23 HydrophobicContact CD2-CG2 4.32Å; L20-V23 WeakPolarHBondContact O-CB 3.17Å; L20-V23 WeakPolarHBondContact O-CG2 3.16Å; L20-V23 PolarHBondContact O-N 3.27Å; L20-V23 VanDerWaalsContact O-N 3.11Å; V23-V25 VanDerWaalsContact C-N 3.32Å; V23-V25 PolarHBondContact O-N 3.5Å; V23-L26 PolarHBondContact O-N 2.89Å; V23-V27 HydrophobicContact CG1-CG2 4.44Å; V23-V27 WeakPolarHBondContact O-CG2 3.4Å; V23-V27 PolarHBondContact O-N 3.09Å
24P97.5Very high91.7Very high32 Ų3281 Ų8121%0.20841%0.41CS..Hα-helixtrans-61.1-39.5177.9-22.634.1000113.1S21 V27 I28 P160 W161S21-P24 WeakPolarHBondContact O-CD 3.5Å; P24-V27 PolarHBondContact O-N 3.11Å; P24-I28 WeakPolarHBondContact O-CG1 3.37Å; P24-I28 PolarHBondContact O-N 3.46Å; P24-I28 VanDerWaalsContact O-N 3.13Å; P24-P160 WeakPolarHBondContact CB-O 3.49Å; P24-P160 HydrophobicContact CG-CB 4.18Å; P24-W161 HydrophobicContact CB-CD2 4.5Å; P24-W161 HydrophobicContact CB-CE3 3.94Å; P24-W161 HydrophobicContact CB-CZ3 4.33Å
25V97.8Very high92.9Very high9 Ų973.6 Ų73.66%0.05538%0.382CS..Hα-helixtrans-63.9-44.8176.2175.60000110.5W22 V23 V27 I28 V29 I76 N163W22-V25 HydrophobicContact CE3-CB 4.03Å; W22-V25 HydrophobicContact CE3-CG1 4.05Å; W22-V25 HydrophobicContact CE3-CG2 4.12Å; W22-V25 HydrophobicContact CZ3-CG1 4.19Å; W22-V25 HydrophobicContact CZ3-CG2 4.38Å; W22-V25 WeakPolarHBondContact O-CB 3.48Å; W22-V25 PolarHBondContact O-N 2.91Å; W22-V25 VanDerWaalsContact O-N 3.1Å; V23-V25 VanDerWaalsContact C-N 3.32Å; V23-V25 PolarHBondContact O-N 3.5Å; V25-V27 VanDerWaalsContact C-N 3.32Å; V25-V27 PolarHBondContact O-N 3.07Å; V25-I28 PolarHBondContact O-N 3.38Å; V25-V29 HydrophobicContact CG1-CG2 4.36Å; V25-V29 WeakPolarHBondContact O-CG2 3.43Å; V25-V29 PolarHBondContact O-N 3.2Å; V25-I76 HydrophobicContact CG1-CD1 3.93Å; V25-N163 HydrophobicContact CG2-CB 3.67Å
26L97.7Very high94.1Very high100 Ų10072.9 Ų72.952%0.52437%0.369SS..Hα-helixtrans-60.9-41177.3-69.1173.4000111.8W22 V23 V29 L30W22-L26 WeakPolarHBondContact O-CG 3.3Å; W22-L26 PolarHBondContact O-N 2.87Å; V23-L26 PolarHBondContact O-N 2.89Å; L26-V29 PolarHBondContact O-N 2.89Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.47Å
27V97.6Very high94.9Very high70 Ų7073.5 Ų73.542%0.42436%0.361SS..Hα-helixtrans-59.3-47.9175.5170.10000111V23 P24 V25 V29 L30 V31V23-V27 HydrophobicContact CG1-CG2 4.44Å; V23-V27 WeakPolarHBondContact O-CG2 3.4Å; V23-V27 PolarHBondContact O-N 3.09Å; P24-V27 PolarHBondContact O-N 3.11Å; V25-V27 VanDerWaalsContact C-N 3.32Å; V25-V27 PolarHBondContact O-N 3.07Å; V27-V29 PolarHBondContact O-N 3.18Å; V27-L30 PolarHBondContact O-N 2.91Å; V27-V31 WeakPolarHBondContact O-CG2 3.37Å; V27-V31 PolarHBondContact O-N 3.32Å
28I97.4Very high95.6Very high20 Ų2066.5 Ų66.510%0.10334%0.335CS..Hα-helixtrans-62-45.5177.8-63.7-61.2000111P24 V25 L30 V31 V32 Y72 W161 F223P24-I28 WeakPolarHBondContact O-CG1 3.37Å; P24-I28 PolarHBondContact O-N 3.46Å; P24-I28 VanDerWaalsContact O-N 3.13Å; V25-I28 PolarHBondContact O-N 3.38Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 3.44Å; I28-V31 PolarHBondContact O-N 2.97Å; I28-V32 HydrophobicContact CG2-CG2 4.15Å; I28-V32 WeakPolarHBondContact O-CB 3.34Å; I28-V32 WeakPolarHBondContact O-CG2 3.27Å; I28-V32 PolarHBondContact O-N 3.2Å; I28-Y72 HydrophobicContact CG2-CE1 3.89Å; I28-Y72 HydrophobicContact CG2-CE2 4.38Å; I28-W161 HydrophobicContact CD1-CE3 3.82Å; I28-W161 HydrophobicContact CD1-CZ3 3.99Å; I28-W161 HydrophobicContact CG1-CE3 3.73Å; I28-W161 HydrophobicContact CG1-CZ3 4.21Å; I28-F223 HydrophobicContact CD1-CE1 4.21Å; I28-F223 HydrophobicContact CD1-CZ 4.23Å
29V98.1Very high96.3Very high57 Ų5757.4 Ų57.435%0.34530%0.301SS..Hα-helixtrans-58.8-45177.8170.30000111.1V25 L26 V27 V32 L33 Y72V25-V29 HydrophobicContact CG1-CG2 4.36Å; V25-V29 WeakPolarHBondContact O-CG2 3.43Å; V25-V29 PolarHBondContact O-N 3.2Å; L26-V29 PolarHBondContact O-N 2.89Å; V27-V29 PolarHBondContact O-N 3.18Å; V29-V32 PolarHBondContact O-N 3.4Å; V29-L33 HydrophobicContact CG1-CD1 3.83Å; V29-L33 HydrophobicContact CG1-CG 4.27Å; V29-L33 WeakPolarHBondContact O-CB 3.29Å; V29-L33 VanDerWaalsContact O-CG 3.25Å; V29-L33 WeakPolarHBondContact O-CG 3.43Å; V29-L33 PolarHBondContact O-N 2.78Å; V29-Y72 HydrophobicContact CG2-CE1 4.3Å
30L98.2Very high96.8Very high117 Ų11753.4 Ų53.461%0.61328%0.276SS*.Hα-helixtrans-63.4-44.3178.5-71.3171.9000112L26 V27 I28 L33 W34L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 VanDerWaalsContact O-CG 3.24Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.47Å; V27-L30 PolarHBondContact O-N 2.91Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-L30 PolarHBondContact O-N 3.44Å; L30-L33 PolarHBondContact O-N 3.01Å; L30-W34 WeakPolarHBondContact O-CB 3.22Å; L30-W34 PolarHBondContact O-N 3.3Å
31V97.4Very high96.9Very high43 Ų4352.4 Ų52.426%0.26127%0.267SS..Hα-helixtrans-62.3-43.8176.31710000111V27 I28 W34 S35 V219 F223V27-V31 WeakPolarHBondContact O-CG2 3.37Å; V27-V31 PolarHBondContact O-N 3.32Å; I28-V31 PolarHBondContact O-N 2.97Å; V31-W34 PolarHBondContact O-N 3.4Å; V31-S35 VanDerWaalsContact O-CB 3.32Å; V31-S35 WeakPolarHBondContact O-CB 3.44Å; V31-S35 PolarHBondContact O-N 2.97Å; V31-S35 PolarHBondContact O-OG 3.36Å; V31-V219 HydrophobicContact CG1-CG1 4.03Å; V31-F223 HydrophobicContact CG1-CE2 4.16Å
32V97.8Very high96.9Very high22 Ų2251.1 Ų51.113%0.13326%0.257CS..Hα-helixtrans-64-47.1178.6169.40000111I28 V29 W34 S35 Y36 F65 F68I28-V32 HydrophobicContact CG2-CG2 4.15Å; I28-V32 WeakPolarHBondContact O-CB 3.34Å; I28-V32 WeakPolarHBondContact O-CG2 3.27Å; I28-V32 PolarHBondContact O-N 3.2Å; V29-V32 PolarHBondContact O-N 3.4Å; V32-W34 PolarHBondContact O-N 3Å; V32-S35 WeakPolarHBondContact CA-OG 3.48Å; V32-S35 PolarHBondContact O-N 3.47Å; V32-S35 PolarHBondContact O-OG 3.46Å; V32-Y36 PolarHBondContact O-N 3.4Å; V32-F65 HydrophobicContact CG1-CE2 3.65Å; V32-F65 HydrophobicContact CG1-CZ 4.34Å; V32-F68 HydrophobicContact CB-CE1 4.4Å; V32-F68 HydrophobicContact CG1-CE1 3.85Å; V32-F68 HydrophobicContact CG2-CE1 3.6Å; V32-F68 HydrophobicContact CG2-CZ 3.65Å
33L98.1Very high96.7Very high103 Ų10346.8 Ų46.854%0.53924%0.241SC..Hα-helixtrans-62.5-42.7178.2-71.8174.9000112V29 L30 Y36 Y37V29-L33 HydrophobicContact CG1-CD1 3.83Å; V29-L33 HydrophobicContact CG1-CG 4.27Å; V29-L33 WeakPolarHBondContact O-CB 3.29Å; V29-L33 VanDerWaalsContact O-CG 3.25Å; V29-L33 WeakPolarHBondContact O-CG 3.43Å; V29-L33 PolarHBondContact O-N 2.78Å; L30-L33 PolarHBondContact O-N 3.01Å; L33-Y36 PolarHBondContact O-N 3.44Å; L33-Y37 PolarHBondContact O-N 3.45Å
34W97.6Very high96.6Very high60 Ų6043.4 Ų43.423%0.22722%0.22CC..Hα-helixtrans-62.7-43173.616678000111.6L30 V31 V32 Y36 Y37 A38 H212 F215 L216 V219L30-W34 WeakPolarHBondContact O-CB 3.22Å; L30-W34 PolarHBondContact O-N 3.3Å; V31-W34 PolarHBondContact O-N 3.4Å; V32-W34 PolarHBondContact O-N 3Å; W34-Y36 VanDerWaalsContact C-N 3.28Å; W34-Y36 PolarHBondContact O-N 2.88Å; W34-Y37 WeakPolarHBondContact O-CB 3.35Å; W34-Y37 PolarHBondContact O-N 3.16Å; W34-A38 HydrophobicContact CZ2-CB 4.19Å; W34-A38 WeakPolarHBondContact O-CB 3.43Å; W34-A38 PolarHBondContact O-N 3Å; W34-H212 AromaticContact NE1-CE1 3.69Å; W34-H212 AromaticContact NE1-ND1 3.39Å; W34-H212 PolarHBondContact NE1-ND1 3.47Å; W34-F215 AromaticContact CE2-CD1 3.97Å; W34-F215 HydrophobicContact CE3-CE1 4.44Å; W34-F215 HydrophobicContact CH2-CB 4.08Å; W34-F215 AromaticContact CH2-CD1 3.12Å; W34-F215 HydrophobicContact CH2-CD1 3.12Å; W34-F215 AromaticContact CH2-CE1 3.71Å; W34-F215 HydrophobicContact CH2-CE1 3.71Å; W34-F215 AromaticContact CH2-CG 3.87Å; W34-F215 HydrophobicContact CH2-CG 3.87Å; W34-F215 HydrophobicContact CZ2-CB 4.12Å; W34-F215 AromaticContact CZ2-CD1 3.24Å; W34-F215 HydrophobicContact CZ2-CD1 3.24Å; W34-F215 HydrophobicContact CZ2-CE1 4.01Å; W34-F215 HydrophobicContact CZ2-CG 4.1Å; W34-F215 AromaticContact CZ3-CD1 3.84Å; W34-F215 HydrophobicContact CZ3-CD1 3.84Å; W34-F215 AromaticContact CZ3-CE1 3.94Å; W34-F215 HydrophobicContact CZ3-CE1 3.94Å; W34-L216 HydrophobicContact CH2-CB 4.18Å; W34-L216 HydrophobicContact CH2-CD1 4.16Å; W34-L216 HydrophobicContact CZ3-CD1 4.23Å; W34-V219 HydrophobicContact CH2-CG2 4.4Å; W34-V219 HydrophobicContact CZ3-CB 4.27Å; W34-V219 HydrophobicContact CZ3-CG1 4.33Å; W34-V219 HydrophobicContact CZ3-CG2 4.14Å
35S97.5Very high96.3Very high6 Ų645.8 Ų45.84%0.04223%0.231CC..Hα-helixtrans-63.3-36.3177.874.20000111.9V31 V32 A38 Y39 Y184V31-S35 VanDerWaalsContact O-CB 3.32Å; V31-S35 WeakPolarHBondContact O-CB 3.44Å; V31-S35 PolarHBondContact O-N 2.97Å; V31-S35 PolarHBondContact O-OG 3.36Å; V32-S35 WeakPolarHBondContact CA-OG 3.48Å; V32-S35 PolarHBondContact O-N 3.47Å; V32-S35 PolarHBondContact O-OG 3.46Å; S35-A38 PolarHBondContact O-N 3.04Å; S35-Y39 VanDerWaalsContact O-CB 3.24Å; S35-Y39 WeakPolarHBondContact O-CB 3.36Å; S35-Y39 PolarHBondContact O-N 2.87Å; S35-Y184 PolarHBondContact OG-OH 2.86Å
36Y98.1Very high95.9Very high63 Ų6349 Ų4925%0.24725%0.25CC..Hα-helixtrans-63.1-47.9172.8-177.2-81.4000111.7V32 L33 W34 A38 Y39 V40 F41 Y61 H62 F65V32-Y36 PolarHBondContact O-N 3.4Å; L33-Y36 PolarHBondContact O-N 3.44Å; W34-Y36 VanDerWaalsContact C-N 3.28Å; W34-Y36 PolarHBondContact O-N 2.88Å; Y36-A38 PolarHBondContact O-N 3.36Å; Y36-Y39 PolarHBondContact O-N 3.3Å; Y36-V40 HydrophobicContact CD1-CG2 4.27Å; Y36-V40 HydrophobicContact CD2-CG2 4.18Å; Y36-V40 HydrophobicContact CE1-CB 4.3Å; Y36-V40 HydrophobicContact CE1-CG2 4.01Å; Y36-V40 HydrophobicContact CE2-CG2 3.89Å; Y36-V40 HydrophobicContact CG-CG2 4.33Å; Y36-V40 VanDerWaalsContact O-CB 3.29Å; Y36-V40 WeakPolarHBondContact O-CB 3.12Å; Y36-V40 WeakPolarHBondContact O-CG2 3.11Å; Y36-V40 PolarHBondContact O-N 3Å; Y36-F41 HydrophobicContact CE1-CE2 4.14Å; Y36-Y61 VanDerWaalsContact CA-OH 3.23Å; Y36-Y61 WeakPolarHBondContact CA-OH 3.12Å; Y36-Y61 AromaticContact CD2-CE1 3.66Å; Y36-Y61 HydrophobicContact CD2-CE1 3.66Å; Y36-Y61 AromaticContact CE2-CE1 3.94Å; Y36-Y61 HydrophobicContact CE2-CE1 3.94Å; Y36-H62 AromaticContact CE2-NE2 3.55Å; Y36-H62 AromaticContact CZ-NE2 3.57Å; Y36-H62 PolarHBondContact OH-NE2 2.89Å; Y36-F65 HydrophobicContact CD2-CD1 4.25Å; Y36-F65 HydrophobicContact CD2-CD2 4.11Å; Y36-F65 HydrophobicContact CD2-CE1 4.03Å; Y36-F65 AromaticContact CD2-CE2 3.86Å; Y36-F65 HydrophobicContact CD2-CE2 3.86Å; Y36-F65 HydrophobicContact CD2-CG 4.29Å; Y36-F65 AromaticContact CD2-CZ 3.82Å; Y36-F65 HydrophobicContact CD2-CZ 3.82Å; Y36-F65 HydrophobicContact CE2-CD1 4.33Å; Y36-F65 HydrophobicContact CE2-CE1 4.24Å; Y36-F65 HydrophobicContact CE2-CZ 4.48Å; Y36-F65 HydrophobicContact CG-CZ 4.49Å
37Y96.7Very high95.5Very high90 Ų9044.5 Ų44.535%0.35323%0.227SC..Hα-helixtrans-56.8-51.4174.4169.5-94000111.6L33 W34 Y39 F41 E42 H212L33-Y37 PolarHBondContact O-N 3.45Å; W34-Y37 WeakPolarHBondContact O-CB 3.35Å; W34-Y37 PolarHBondContact O-N 3.16Å; Y37-Y39 PolarHBondContact O-N 3.3Å; Y37-F41 HydrophobicContact CD2-CB 4.33Å; Y37-F41 HydrophobicContact CD2-CD2 4.01Å; Y37-F41 HydrophobicContact CD2-CG 4.33Å; Y37-F41 HydrophobicContact CE2-CB 4.24Å; Y37-F41 HydrophobicContact CE2-CG 4.5Å; Y37-F41 WeakPolarHBondContact O-CB 3.48Å; Y37-F41 PolarHBondContact O-N 3.37Å; Y37-E42 HydrophobicContact CD1-CG 4.42Å; Y37-E42 HydrophobicContact CE1-CG 3.69Å; Y37-E42 PolarHBondContact O-N 3.17Å; Y37-E42 PolarHBondContact OH-OE1 3.42Å; Y37-H212 AromaticContact CE1-CE1 3.78Å; Y37-H212 AromaticContact CE1-NE2 3.97Å
38A95.3Very high95.2Very high1 Ų141.2 Ų41.21%0.00821%0.207CC..Iπ-helixtrans-63.4-42.7-177.300000112.3W34 S35 Y36 E42 L43 H212 L216W34-A38 HydrophobicContact CZ2-CB 4.19Å; W34-A38 WeakPolarHBondContact O-CB 3.43Å; W34-A38 PolarHBondContact O-N 3Å; S35-A38 PolarHBondContact O-N 3.04Å; Y36-A38 PolarHBondContact O-N 3.36Å; A38-E42 WeakPolarHBondContact O-CB 3.31Å; A38-E42 PolarHBondContact O-N 3.13Å; A38-L43 PolarHBondContact O-N 3.08Å; A38-H212 HydrophobicContact CB-CB 4.09Å; A38-L216 HydrophobicContact CB-CD1 4.32Å; A38-L216 HydrophobicContact CB-CD2 4.15Å
39Y96.5Very high94.8Very high0 Ų047.2 Ų47.20%024%0.238CC..Iπ-helixtrans-73.2-50.4-179.4-166.8-89000112S35 Y36 Y37 L43 C44 Y61 Y187 I188 T191 V192 L216S35-Y39 VanDerWaalsContact O-CB 3.24Å; S35-Y39 WeakPolarHBondContact O-CB 3.36Å; S35-Y39 PolarHBondContact O-N 2.87Å; Y36-Y39 PolarHBondContact O-N 3.3Å; Y37-Y39 PolarHBondContact O-N 3.3Å; Y39-L43 HydrophobicContact CD2-CD2 3.79Å; Y39-L43 HydrophobicContact CE2-CD2 3.58Å; Y39-L43 HydrophobicContact CG-CD2 4.49Å; Y39-L43 WeakPolarHBondContact O-CB 3.44Å; Y39-C44 WeakPolarHBondContact CE1-SG 3.25Å; Y39-C44 PolarHBondContact O-N 2.83Å; Y39-C44 PolarHBondContact O-SG 2.91Å; Y39-Y61 AromaticContact CD1-CD1 3.99Å; Y39-Y61 HydrophobicContact CD1-CD1 3.99Å; Y39-Y61 AromaticContact CD1-CD2 3.22Å; Y39-Y61 HydrophobicContact CD1-CD2 3.22Å; Y39-Y61 HydrophobicContact CD1-CE1 4.18Å; Y39-Y61 AromaticContact CD1-CE2 3.44Å; Y39-Y61 HydrophobicContact CD1-CE2 3.44Å; Y39-Y61 VanDerWaalsContact CD1-CE2 3.44Å; Y39-Y61 AromaticContact CD1-CG 3.51Å; Y39-Y61 HydrophobicContact CD1-CG 3.51Å; Y39-Y61 AromaticContact CD1-CZ 3.93Å; Y39-Y61 HydrophobicContact CD2-CD2 4.28Å; Y39-Y61 HydrophobicContact CD2-CE2 4.18Å; Y39-Y61 HydrophobicContact CE1-CD1 4.38Å; Y39-Y61 AromaticContact CE1-CD2 3.34Å; Y39-Y61 HydrophobicContact CE1-CD2 3.34Å; Y39-Y61 HydrophobicContact CE1-CE2 4.04Å; Y39-Y61 AromaticContact CE1-CG 3.54Å; Y39-Y61 HydrophobicContact CE1-CG 3.54Å; Y39-Y61 HydrophobicContact CE2-CD2 4.38Å; Y39-Y61 AromaticContact CG-CD2 3.74Å; Y39-Y61 HydrophobicContact CG-CD2 3.74Å; Y39-Y61 AromaticContact CG-CE2 3.53Å; Y39-Y61 HydrophobicContact CG-CE2 3.53Å; Y39-Y61 HydrophobicContact CG-CG 4.43Å; Y39-Y61 AromaticContact CZ-CD2 3.95Å; Y39-Y187 HydrophobicContact CE1-CE1 4.2Å; Y39-Y187 AromaticContact CZ-CE1 3.75Å; Y39-Y187 WeakPolarHBondContact OH-CE1 3.42Å; Y39-I188 HydrophobicContact CD2-CG1 4.04Å; Y39-I188 HydrophobicContact CD2-CG2 4.44Å; Y39-I188 HydrophobicContact CE2-CG1 4.29Å; Y39-T191 VanDerWaalsContact CE2-OG1 3.24Å; Y39-T191 WeakPolarHBondContact CE2-OG1 3.48Å; Y39-T191 WeakPolarHBondContact OH-CB 3.49Å; Y39-T191 PolarHBondContact OH-OG1 3.42Å; Y39-V192 HydrophobicContact CD2-CG2 4.32Å; Y39-V192 HydrophobicContact CE2-CG2 4.25Å; Y39-L216 HydrophobicContact CD2-CD2 4.01Å
40V96.9Very high94.6Very high10 Ų1047 Ų476%0.06124%0.239CC..Iπ-helixtrans-73-51.9-173.8175.20000110.8Y36 C44 L45 L58 Y61Y36-V40 HydrophobicContact CD1-CG2 4.27Å; Y36-V40 HydrophobicContact CD2-CG2 4.18Å; Y36-V40 HydrophobicContact CE1-CB 4.3Å; Y36-V40 HydrophobicContact CE1-CG2 4.01Å; Y36-V40 HydrophobicContact CE2-CG2 3.89Å; Y36-V40 HydrophobicContact CG-CG2 4.33Å; Y36-V40 VanDerWaalsContact O-CB 3.29Å; Y36-V40 WeakPolarHBondContact O-CB 3.12Å; Y36-V40 WeakPolarHBondContact O-CG2 3.11Å; Y36-V40 PolarHBondContact O-N 3Å; V40-C44 WeakPolarHBondContact O-CB 3.47Å; V40-L45 WeakPolarHBondContact O-CG 3.35Å; V40-L45 PolarHBondContact O-N 3.32Å; V40-L58 HydrophobicContact CB-CD2 4.42Å; V40-L58 HydrophobicContact CG1-CD2 3.94Å; V40-L58 HydrophobicContact CG2-CD2 4.25Å; V40-Y61 HydrophobicContact CG2-CD1 4.02Å; V40-Y61 HydrophobicContact CG2-CE1 3.7Å
41F93.8Very high94.5Very high95 Ų9546.1 Ų46.142%0.41724%0.241SC..Iπ-helixtrans-86.8-52.9-171.2-63.3-93.2000112Y36 Y37 L45 V46Y36-F41 HydrophobicContact CE1-CE2 4.14Å; Y37-F41 HydrophobicContact CD2-CB 4.33Å; Y37-F41 HydrophobicContact CD2-CD2 4.01Å; Y37-F41 HydrophobicContact CD2-CG 4.33Å; Y37-F41 HydrophobicContact CE2-CB 4.24Å; Y37-F41 HydrophobicContact CE2-CG 4.5Å; Y37-F41 WeakPolarHBondContact O-CB 3.48Å; Y37-F41 PolarHBondContact O-N 3.37Å; F41-L45 HydrophobicContact CD1-CD1 3.77Å; F41-L45 HydrophobicContact CE1-CD1 4.19Å; F41-L45 HydrophobicContact CG-CD1 4.42Å; F41-L45 WeakPolarHBondContact O-CB 3.44Å; F41-L45 PolarHBondContact O-N 3.13Å; F41-V46 WeakPolarHBondContact O-CG2 3.3Å; F41-V46 PolarHBondContact O-N 3Å; F41-V46 VanDerWaalsContact O-N 3.1Å
42E92.4Very high94.4Very high12 Ų1247 Ų476%0.05625%0.253CS..Iπ-helixtrans-74.9-43.8-174.3-62.9-73.2169.900112Y37 A38 V46 T47 R208 S209 H212Y37-E42 HydrophobicContact CD1-CG 4.42Å; Y37-E42 HydrophobicContact CE1-CG 3.69Å; Y37-E42 PolarHBondContact O-N 3.17Å; Y37-E42 PolarHBondContact OH-OE1 3.42Å; A38-E42 WeakPolarHBondContact O-CB 3.31Å; A38-E42 PolarHBondContact O-N 3.13Å; E42-V46 WeakPolarHBondContact O-CB 3.44Å; E42-T47 WeakPolarHBondContact O-CB 3.15Å; E42-T47 PolarHBondContact O-N 3.1Å; E42-T47 PolarHBondContact O-OG1 3.4Å; E42-R208 WeakPolarHBondContact OE1-CD 3.24Å; E42-S209 WeakPolarHBondContact OE2-CA 3.42Å; E42-S209 WeakPolarHBondContact OE2-CB 3.42Å; E42-S209 PolarHBondContact OE2-OG 2.84Å; E42-H212 HydrophobicContact CB-CB 4.1Å; E42-H212 HydrophobicContact CG-CB 4.13Å
43L91.8Very high94.3Very high1 Ų148.4 Ų48.41%0.00526%0.258CS..Iπ-helixtrans-80.9-69.6177-178.774.2000111.3A38 Y39 T47 V48 V192 Y195 V213A38-L43 PolarHBondContact O-N 3.08Å; Y39-L43 HydrophobicContact CD2-CD2 3.79Å; Y39-L43 HydrophobicContact CE2-CD2 3.58Å; Y39-L43 HydrophobicContact CG-CD2 4.49Å; Y39-L43 WeakPolarHBondContact O-CB 3.44Å; L43-T47 HydrophobicContact CD1-CG2 4.41Å; L43-T47 CarbonylContact O-C 3.53Å; L43-T47 WeakPolarHBondContact O-CA 3.34Å; L43-T47 VanDerWaalsContact O-CB 3.24Å; L43-T47 WeakPolarHBondContact O-CB 3.34Å; L43-T47 PolarHBondContact O-N 3.38Å; L43-V48 HydrophobicContact CG-CG2 4.36Å; L43-V48 WeakPolarHBondContact O-CG2 3.26Å; L43-V48 PolarHBondContact O-N 2.96Å; L43-V192 HydrophobicContact CD2-CG2 3.83Å; L43-Y195 HydrophobicContact CD1-CD1 3.96Å; L43-Y195 HydrophobicContact CD1-CD2 3.79Å; L43-Y195 HydrophobicContact CD1-CE1 4.48Å; L43-Y195 HydrophobicContact CD1-CE2 4.37Å; L43-Y195 HydrophobicContact CD1-CG 3.58Å; L43-V213 HydrophobicContact CD1-CG2 4.07Å
44C93.8Very high94.1Very high0 Ų045.8 Ų45.80%024%0.242CC..Iπ-helixtrans-66.5-45.4-169.3-67.70000113.7Y39 V40 K54 L58Y39-C44 WeakPolarHBondContact CE1-SG 3.25Å; Y39-C44 PolarHBondContact O-N 2.83Å; Y39-C44 PolarHBondContact O-SG 2.91Å; V40-C44 WeakPolarHBondContact O-CB 3.47Å; C44-K54 WeakPolarHBondContact O-CD 3.38Å; C44-K54 WeakPolarHBondContact O-CE 3.2Å; C44-K54 WeakPolarHBondContact O-CG 3.39Å; C44-K54 PolarHBondContact O-NZ 3.23Å; C44-L58 HydrophobicContact CB-CD2 3.78Å; C44-L58 HydrophobicContact CB-CG 4.03Å
45L91.9Very high94.1Very high82 Ų8246.8 Ų46.843%0.42926%0.255SS..Iπ-helixtrans-78.5-45.7-176.7-64.7-178.6000112.7V40 F41 K54V40-L45 WeakPolarHBondContact O-CG 3.35Å; V40-L45 PolarHBondContact O-N 3.32Å; F41-L45 HydrophobicContact CD1-CD1 3.77Å; F41-L45 HydrophobicContact CE1-CD1 4.19Å; F41-L45 HydrophobicContact CG-CD1 4.42Å; F41-L45 WeakPolarHBondContact O-CB 3.44Å; F41-L45 PolarHBondContact O-N 3.13Å; L45-K54 HydrophobicContact CD2-CD 4.26Å; L45-K54 PolarHBondContact O-NZ 3.18Å
46V89.9Confident94.1Very high76 Ų7651 Ų5146%0.46128%0.276SS..Iπ-helixtrans-89.6-42.2-174173.70000113.3F41 E42F41-V46 WeakPolarHBondContact O-CG2 3.3Å; F41-V46 PolarHBondContact O-N 3Å; F41-V46 VanDerWaalsContact O-N 3.1Å; E42-V46 WeakPolarHBondContact O-CB 3.44Å
47T88.8Confident94.1Very high7 Ų749.9 Ų49.94%0.04327%0.271CS..Iπ-helixtrans-93.7-38.5-169.5-550000113.5E42 L43 L49 Y195 L204E42-T47 WeakPolarHBondContact O-CB 3.15Å; E42-T47 PolarHBondContact O-N 3.1Å; E42-T47 PolarHBondContact O-OG1 3.4Å; L43-T47 HydrophobicContact CD1-CG2 4.41Å; L43-T47 CarbonylContact O-C 3.53Å; L43-T47 WeakPolarHBondContact O-CA 3.34Å; L43-T47 VanDerWaalsContact O-CB 3.24Å; L43-T47 WeakPolarHBondContact O-CB 3.34Å; L43-T47 PolarHBondContact O-N 3.38Å; T47-L49 PolarHBondContact O-N 3.35Å; T47-Y195 HydrophobicContact CG2-CD1 3.57Å; T47-Y195 HydrophobicContact CG2-CE1 3.98Å; T47-L204 HydrophobicContact CG2-CD2 3.56Å
48V91Very high94.1Very high1 Ų147.3 Ų47.31%0.00626%0.264CS..  trans-75.1114178.8-1770000109.8L43 E53 K54 Y57 Y195L43-V48 HydrophobicContact CG-CG2 4.36Å; L43-V48 WeakPolarHBondContact O-CG2 3.26Å; L43-V48 PolarHBondContact O-N 2.96Å; V48-E53 HydrophobicContact CG1-CB 3.94Å; V48-E53 HydrophobicContact CG1-CG 3.96Å; V48-K54 HydrophobicContact CG1-CB 4.05Å; V48-K54 WeakPolarHBondContact O-CE 3.26Å; V48-K54 PolarHBondContact O-NZ 2.84Å; V48-K54 VanDerWaalsContact O-NZ 3.15Å; V48-Y57 HydrophobicContact CG2-CD2 4.45Å; V48-Y195 HydrophobicContact CG2-CE1 4.09Å; V48-Y195 HydrophobicContact CG2-CE2 4.27Å; V48-Y195 WeakPolarHBondContact CG2-OH 3.46Å
49L90.1Very high94.3Very high145 Ų14552.5 Ų52.576%0.75929%0.29SS*.  trans-83.6-35.9-178.9-58.9-179.4000112.7T47 P51T47-L49 PolarHBondContact O-N 3.35Å; L49-P51 WeakPolarHBondContact O-CD 3.41Å
50S93.7Very high94.4Very high52 Ų5256.7 Ų56.736%0.36431%0.312SS..  trans-72.2120.7-178.2174.60000111.2A52 E53 K54S50-A52 VanDerWaalsContact C-N 3.32Å; S50-A52 PolarHBondContact O-N 3.02Å; S50-E53 PolarHBondContact O-N 3.3Å; S50-E53 PolarHBondContact OG-N 2.88Å; S50-K54 WeakPolarHBondContact O-CB 3.37Å; S50-K54 PolarHBondContact O-N 3.21Å
51P94.9Very high94.4Very high100 Ų10056.2 Ų56.265%0.64931%0.309SS*.Hα-helixtrans-61.9-38.5178.6-24.334.8000113L49 K54 V55L49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-K54 PolarHBondContact O-N 3.3Å; P51-V55 WeakPolarHBondContact O-CG2 3.36Å; P51-V55 PolarHBondContact O-N 3.39Å
52A96.3Very high94.7Very high62 Ų6254.7 Ų54.751%0.51230%0.303SS..Hα-helixtrans-65.2-45.9179.300000111.6S50 K54 V55 I56S50-A52 VanDerWaalsContact C-N 3.32Å; S50-A52 PolarHBondContact O-N 3.02Å; A52-K54 VanDerWaalsContact C-N 3.35Å; A52-K54 PolarHBondContact O-N 2.89Å; A52-V55 PolarHBondContact O-N 3.01Å; A52-I56 VanDerWaalsContact O-CG1 3.31Å; A52-I56 WeakPolarHBondContact O-CG1 3.37Å; A52-I56 PolarHBondContact O-N 3.48Å
53E94.8Very high95Very high50 Ų5056.5 Ų56.523%0.23432%0.32CS..Hα-helixtrans-61.3-44.6176.7-172.2-179.6173.100111.1V48 S50 V55 I56 Y57 Y195V48-E53 HydrophobicContact CG1-CB 3.94Å; V48-E53 HydrophobicContact CG1-CG 3.96Å; S50-E53 PolarHBondContact O-N 3.3Å; S50-E53 PolarHBondContact OG-N 2.88Å; E53-V55 PolarHBondContact O-N 3.48Å; E53-I56 PolarHBondContact O-N 3.48Å; E53-Y57 HydrophobicContact CG-CD1 4.06Å; E53-Y57 HydrophobicContact CG-CD2 4.49Å; E53-Y57 HydrophobicContact CG-CE1 3.71Å; E53-Y57 HydrophobicContact CG-CE2 4.18Å; E53-Y57 HydrophobicContact CG-CG 4.44Å; E53-Y57 WeakPolarHBondContact O-CB 3.45Å; E53-Y57 VanDerWaalsContact O-CD1 3.32Å; E53-Y57 WeakPolarHBondContact O-CD1 3.31Å; E53-Y57 PolarHBondContact O-N 3.37Å; E53-Y57 PolarHBondContact OE1-OH 3.47Å; E53-Y195 PolarHBondContact OE1-OH 3.03Å; E53-Y195 PolarHBondContact OE2-OH 2.87Å
54K95.4Very high95.3Very high49 Ų4957.4 Ų57.421%0.21333%0.325CS..Hα-helixtrans-56.9-47.4177.1-174.8177.1-50-156.40112.2C44 L45 V48 S50 P51 A52 Y57 L58C44-K54 WeakPolarHBondContact O-CD 3.38Å; C44-K54 WeakPolarHBondContact O-CE 3.2Å; C44-K54 WeakPolarHBondContact O-CG 3.39Å; C44-K54 PolarHBondContact O-NZ 3.23Å; L45-K54 HydrophobicContact CD2-CD 4.26Å; L45-K54 PolarHBondContact O-NZ 3.18Å; V48-K54 HydrophobicContact CG1-CB 4.05Å; V48-K54 WeakPolarHBondContact O-CE 3.26Å; V48-K54 PolarHBondContact O-NZ 2.84Å; V48-K54 VanDerWaalsContact O-NZ 3.15Å; S50-K54 WeakPolarHBondContact O-CB 3.37Å; S50-K54 PolarHBondContact O-N 3.21Å; P51-K54 PolarHBondContact O-N 3.3Å; A52-K54 VanDerWaalsContact C-N 3.35Å; A52-K54 PolarHBondContact O-N 2.89Å; K54-Y57 PolarHBondContact O-N 3.06Å; K54-L58 HydrophobicContact CG-CD1 3.97Å; K54-L58 WeakPolarHBondContact O-CB 3.06Å; K54-L58 VanDerWaalsContact O-CG 3.25Å; K54-L58 WeakPolarHBondContact O-CG 3.28Å; K54-L58 PolarHBondContact O-N 3.11Å
55V97.3Very high95.5Very high81 Ų8159.2 Ų59.249%0.49133%0.333SS..Hα-helixtrans-64.6-46.6179.5170.50000111.1P51 A52 E53 Y57 L58 I59P51-V55 WeakPolarHBondContact O-CG2 3.36Å; P51-V55 PolarHBondContact O-N 3.39Å; A52-V55 PolarHBondContact O-N 3.01Å; E53-V55 PolarHBondContact O-N 3.48Å; V55-Y57 VanDerWaalsContact C-N 3.32Å; V55-Y57 PolarHBondContact O-N 2.81Å; V55-L58 PolarHBondContact O-N 3.39Å; V55-I59 HydrophobicContact CG1-CD1 3.64Å; V55-I59 HydrophobicContact CG1-CG1 4.39Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.49Å; V55-I59 PolarHBondContact O-N 2.79Å
56I97Very high95.8Very high95 Ų9559.3 Ų59.349%0.48734%0.337SS..Hα-helixtrans-60.4-44.9178.3-67.7166.4000110.4A52 E53 I59 L60A52-I56 VanDerWaalsContact O-CG1 3.31Å; A52-I56 WeakPolarHBondContact O-CG1 3.37Å; A52-I56 PolarHBondContact O-N 3.48Å; E53-I56 PolarHBondContact O-N 3.48Å; I56-I59 PolarHBondContact O-N 2.95Å; I56-L60 HydrophobicContact CG2-CD1 3.91Å; I56-L60 WeakPolarHBondContact O-CG 3.48Å; I56-L60 PolarHBondContact O-N 2.97Å; I56-L60 VanDerWaalsContact O-N 3.15Å
57Y97.4Very high96.2Very high38 Ų3858.8 Ų58.815%0.14933%0.328CS..Hα-helixtrans-62.5-48.1-178.9-79.822.1000111V48 E53 K54 V55 I59 Y61 Y187 T191 Y195V48-Y57 HydrophobicContact CG2-CD2 4.45Å; E53-Y57 HydrophobicContact CG-CD1 4.06Å; E53-Y57 HydrophobicContact CG-CD2 4.49Å; E53-Y57 HydrophobicContact CG-CE1 3.71Å; E53-Y57 HydrophobicContact CG-CE2 4.18Å; E53-Y57 HydrophobicContact CG-CG 4.44Å; E53-Y57 WeakPolarHBondContact O-CB 3.45Å; E53-Y57 VanDerWaalsContact O-CD1 3.32Å; E53-Y57 WeakPolarHBondContact O-CD1 3.31Å; E53-Y57 PolarHBondContact O-N 3.37Å; E53-Y57 PolarHBondContact OE1-OH 3.47Å; K54-Y57 PolarHBondContact O-N 3.06Å; V55-Y57 VanDerWaalsContact C-N 3.32Å; V55-Y57 PolarHBondContact O-N 2.81Å; Y57-I59 PolarHBondContact O-N 2.91Å; Y57-Y61 WeakPolarHBondContact O-CB 3.24Å; Y57-Y61 PolarHBondContact O-N 3.45Å; Y57-Y187 VanDerWaalsContact CA-OH 3.22Å; Y57-Y187 WeakPolarHBondContact CA-OH 3.42Å; Y57-Y187 PolarHBondContact O-OH 3.36Å; Y57-T191 HydrophobicContact CD1-CG2 4.42Å; Y57-T191 HydrophobicContact CD2-CG2 4.33Å; Y57-T191 HydrophobicContact CE1-CG2 4.08Å; Y57-T191 HydrophobicContact CE2-CG2 3.98Å; Y57-Y195 AromaticContact CE2-CE2 3.99Å; Y57-Y195 HydrophobicContact CE2-CE2 3.99Å
58L98.2Very high96.7Very high37 Ų3759 Ų5919%0.19433%0.328CS..Hα-helixtrans-64.4-42.7-179.5-71.3170.5000112.5V40 C44 K54 V55 H62V40-L58 HydrophobicContact CB-CD2 4.42Å; V40-L58 HydrophobicContact CG1-CD2 3.94Å; V40-L58 HydrophobicContact CG2-CD2 4.25Å; C44-L58 HydrophobicContact CB-CD2 3.78Å; C44-L58 HydrophobicContact CB-CG 4.03Å; K54-L58 HydrophobicContact CG-CD1 3.97Å; K54-L58 WeakPolarHBondContact O-CB 3.06Å; K54-L58 VanDerWaalsContact O-CG 3.25Å; K54-L58 WeakPolarHBondContact O-CG 3.28Å; K54-L58 PolarHBondContact O-N 3.11Å; V55-L58 PolarHBondContact O-N 3.39Å; L58-H62 WeakPolarHBondContact O-CB 3.31Å; L58-H62 PolarHBondContact O-N 3.42Å; L58-H62 PolarHBondContact O-ND1 3.34Å
59I98.3Very high97.1Very high110 Ų11060.8 Ų60.856%0.56434%0.344SS*.Hα-helixtrans-63.2-51.5-179.2-70.4170.6000110.9V55 I56 Y57 H62 A63V55-I59 HydrophobicContact CG1-CD1 3.64Å; V55-I59 HydrophobicContact CG1-CG1 4.39Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.49Å; V55-I59 PolarHBondContact O-N 2.79Å; I56-I59 PolarHBondContact O-N 2.95Å; Y57-I59 PolarHBondContact O-N 2.91Å; I59-H62 PolarHBondContact O-N 2.9Å; I59-A63 PolarHBondContact O-N 3.5Å
60L98.3Very high97.5Very high87 Ų8758.9 Ų58.946%0.45533%0.326SS..Hα-helixtrans-66.1-42.4-178.3-67.6176.5000111.4I56 H62 A63 I64 Y187I56-L60 HydrophobicContact CG2-CD1 3.91Å; I56-L60 WeakPolarHBondContact O-CG 3.48Å; I56-L60 PolarHBondContact O-N 2.97Å; I56-L60 VanDerWaalsContact O-N 3.15Å; L60-H62 PolarHBondContact O-N 3.48Å; L60-A63 PolarHBondContact O-N 3.13Å; L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.48Å; L60-Y187 HydrophobicContact CB-CE2 3.73Å; L60-Y187 WeakPolarHBondContact CB-OH 3.28Å; L60-Y187 HydrophobicContact CD1-CE2 4.12Å
61Y98.4Very high97.7Very high0 Ų056.4 Ų56.40%031%0.309CS..Hα-helixtrans-56.6-50.2175.6-179.9-96.1000112Y36 Y39 V40 Y57 A63 I64 F65 Y184 Y187 I188Y36-Y61 VanDerWaalsContact CA-OH 3.23Å; Y36-Y61 WeakPolarHBondContact CA-OH 3.12Å; Y36-Y61 AromaticContact CD2-CE1 3.66Å; Y36-Y61 HydrophobicContact CD2-CE1 3.66Å; Y36-Y61 AromaticContact CE2-CE1 3.94Å; Y36-Y61 HydrophobicContact CE2-CE1 3.94Å; Y39-Y61 AromaticContact CD1-CD1 3.99Å; Y39-Y61 HydrophobicContact CD1-CD1 3.99Å; Y39-Y61 AromaticContact CD1-CD2 3.22Å; Y39-Y61 HydrophobicContact CD1-CD2 3.22Å; Y39-Y61 HydrophobicContact CD1-CE1 4.18Å; Y39-Y61 AromaticContact CD1-CE2 3.44Å; Y39-Y61 HydrophobicContact CD1-CE2 3.44Å; Y39-Y61 VanDerWaalsContact CD1-CE2 3.44Å; Y39-Y61 AromaticContact CD1-CG 3.51Å; Y39-Y61 HydrophobicContact CD1-CG 3.51Å; Y39-Y61 AromaticContact CD1-CZ 3.93Å; Y39-Y61 HydrophobicContact CD2-CD2 4.28Å; Y39-Y61 HydrophobicContact CD2-CE2 4.18Å; Y39-Y61 HydrophobicContact CE1-CD1 4.38Å; Y39-Y61 AromaticContact CE1-CD2 3.34Å; Y39-Y61 HydrophobicContact CE1-CD2 3.34Å; Y39-Y61 HydrophobicContact CE1-CE2 4.04Å; Y39-Y61 AromaticContact CE1-CG 3.54Å; Y39-Y61 HydrophobicContact CE1-CG 3.54Å; Y39-Y61 HydrophobicContact CE2-CD2 4.38Å; Y39-Y61 AromaticContact CG-CD2 3.74Å; Y39-Y61 HydrophobicContact CG-CD2 3.74Å; Y39-Y61 AromaticContact CG-CE2 3.53Å; Y39-Y61 HydrophobicContact CG-CE2 3.53Å; Y39-Y61 HydrophobicContact CG-CG 4.43Å; Y39-Y61 AromaticContact CZ-CD2 3.95Å; V40-Y61 HydrophobicContact CG2-CD1 4.02Å; V40-Y61 HydrophobicContact CG2-CE1 3.7Å; Y57-Y61 WeakPolarHBondContact O-CB 3.24Å; Y57-Y61 PolarHBondContact O-N 3.45Å; Y61-A63 PolarHBondContact O-N 3.05Å; Y61-I64 PolarHBondContact O-N 3.17Å; Y61-F65 HydrophobicContact CE1-CB 4.34Å; Y61-F65 VanDerWaalsContact O-CB 3.22Å; Y61-F65 WeakPolarHBondContact O-CB 3.41Å; Y61-F65 PolarHBondContact O-N 2.89Å; Y61-Y184 HydrophobicContact CD2-CE2 4.34Å; Y61-Y184 HydrophobicContact CE2-CD2 4.41Å; Y61-Y184 AromaticContact CE2-CE2 3.53Å; Y61-Y184 HydrophobicContact CE2-CE2 3.53Å; Y61-Y184 AromaticContact CZ-CE2 3.78Å; Y61-Y184 PolarHBondContact OH-OH 3.43Å; Y61-Y187 HydrophobicContact CD2-CD1 4.13Å; Y61-Y187 HydrophobicContact CD2-CE1 4.06Å; Y61-Y187 HydrophobicContact CG-CE1 4.43Å; Y61-I188 HydrophobicContact CE2-CD1 4.18Å; Y61-I188 HydrophobicContact CE2-CG1 4.14Å
62H98.6Very high97.9Very high63 Ų6352.3 Ų52.329%0.29228%0.281SS..Hα-helixtrans-66.8-36.9-178.6-76.782.9000112.2Y36 L58 I59 L60 F65 V66Y36-H62 AromaticContact CE2-NE2 3.55Å; Y36-H62 AromaticContact CZ-NE2 3.57Å; Y36-H62 PolarHBondContact OH-NE2 2.89Å; L58-H62 WeakPolarHBondContact O-CB 3.31Å; L58-H62 PolarHBondContact O-N 3.42Å; L58-H62 PolarHBondContact O-ND1 3.34Å; I59-H62 PolarHBondContact O-N 2.9Å; L60-H62 PolarHBondContact O-N 3.48Å; H62-F65 PolarHBondContact O-N 3.16Å; H62-V66 WeakPolarHBondContact O-CB 3.45Å; H62-V66 VanDerWaalsContact O-CG2 3.24Å; H62-V66 WeakPolarHBondContact O-CG2 3.49Å; H62-V66 PolarHBondContact O-N 2.96Å
63A98.3Very high98Very high51 Ų5156.9 Ų56.942%0.42129%0.285SS..Hα-helixtrans-58.9-49.9174.200000111.1I59 L60 Y61 F67I59-A63 PolarHBondContact O-N 3.5Å; L60-A63 PolarHBondContact O-N 3.13Å; Y61-A63 PolarHBondContact O-N 3.05Å; A63-F67 WeakPolarHBondContact O-CD2 3.41Å; A63-F67 PolarHBondContact O-N 3Å
64I98.6Very high98.2Very high19 Ų1957.1 Ų57.110%0.09729%0.285CS..Hα-helixtrans-64.7-45178.5-62.8164.4000110.8L60 Y61 V66 F67 F68 L183 Y184 Y187L60-I64 WeakPolarHBondContact O-CG1 3.44Å; L60-I64 PolarHBondContact O-N 3.48Å; Y61-I64 PolarHBondContact O-N 3.17Å; I64-V66 VanDerWaalsContact C-N 3.35Å; I64-V66 PolarHBondContact O-N 2.84Å; I64-F67 PolarHBondContact O-N 3.11Å; I64-F68 WeakPolarHBondContact O-CB 3.23Å; I64-F68 PolarHBondContact O-N 3.27Å; I64-L183 HydrophobicContact CD1-CD2 4.29Å; I64-L183 HydrophobicContact CD1-CG 4.02Å; I64-L183 HydrophobicContact CG1-CD2 3.97Å; I64-L183 HydrophobicContact CG1-CG 4.17Å; I64-L183 HydrophobicContact CG2-CB 4.49Å; I64-L183 HydrophobicContact CG2-CD2 4.32Å; I64-L183 HydrophobicContact CG2-CG 4.13Å; I64-Y184 HydrophobicContact CG2-CD2 4.11Å; I64-Y187 HydrophobicContact CD1-CD1 4.28Å; I64-Y187 HydrophobicContact CD1-CD2 3.71Å; I64-Y187 HydrophobicContact CD1-CE2 4.4Å; I64-Y187 HydrophobicContact CD1-CG 3.64Å
65F98.6Very high98.3Very high39 Ų3954.8 Ų54.817%0.17128%0.275CS..Hα-helixtrans-59.4-42.5-179.8179.4-96.8000112.3V32 Y36 Y61 H62 F68 A69 Y184V32-F65 HydrophobicContact CG1-CE2 3.65Å; V32-F65 HydrophobicContact CG1-CZ 4.34Å; Y36-F65 HydrophobicContact CD2-CD1 4.25Å; Y36-F65 HydrophobicContact CD2-CD2 4.11Å; Y36-F65 HydrophobicContact CD2-CE1 4.03Å; Y36-F65 AromaticContact CD2-CE2 3.86Å; Y36-F65 HydrophobicContact CD2-CE2 3.86Å; Y36-F65 HydrophobicContact CD2-CG 4.29Å; Y36-F65 AromaticContact CD2-CZ 3.82Å; Y36-F65 HydrophobicContact CD2-CZ 3.82Å; Y36-F65 HydrophobicContact CE2-CD1 4.33Å; Y36-F65 HydrophobicContact CE2-CE1 4.24Å; Y36-F65 HydrophobicContact CE2-CZ 4.48Å; Y36-F65 HydrophobicContact CG-CZ 4.49Å; Y61-F65 HydrophobicContact CE1-CB 4.34Å; Y61-F65 VanDerWaalsContact O-CB 3.22Å; Y61-F65 WeakPolarHBondContact O-CB 3.41Å; Y61-F65 PolarHBondContact O-N 2.89Å; H62-F65 PolarHBondContact O-N 3.16Å; F65-F68 PolarHBondContact O-N 3.32Å; F65-A69 VanDerWaalsContact O-CB 3.3Å; F65-A69 WeakPolarHBondContact O-CB 3.21Å; F65-A69 PolarHBondContact O-N 3.31Å; F65-Y184 HydrophobicContact CB-CE2 4.38Å; F65-Y184 AromaticContact CD2-CE2 3.95Å; F65-Y184 HydrophobicContact CD2-CE2 3.95Å
66V98.6Very high98.4Very high84 Ų8451.5 Ų51.551%0.50926%0.255SS..Hα-helixtrans-62-46.5177.2166.70000110.9H62 I64 A69 W70H62-V66 WeakPolarHBondContact O-CB 3.45Å; H62-V66 VanDerWaalsContact O-CG2 3.24Å; H62-V66 WeakPolarHBondContact O-CG2 3.49Å; H62-V66 PolarHBondContact O-N 2.96Å; I64-V66 VanDerWaalsContact C-N 3.35Å; I64-V66 PolarHBondContact O-N 2.84Å; V66-A69 PolarHBondContact O-N 2.86Å; V66-W70 WeakPolarHBondContact O-CB 3.35Å; V66-W70 PolarHBondContact O-N 3.25Å
67F98.4Very high98.5Very high65 Ų6551.6 Ų51.629%0.28525%0.252SS..Hα-helixtrans-67.5-39.9178.1-84.1-78.2000112.7A63 I64 W70 T71 Y180A63-F67 WeakPolarHBondContact O-CD2 3.41Å; A63-F67 PolarHBondContact O-N 3Å; I64-F67 PolarHBondContact O-N 3.11Å; F67-W70 HydrophobicContact CD1-CE3 4.45Å; F67-W70 HydrophobicContact CE1-CE3 4.4Å; F67-W70 HydrophobicContact CE1-CZ3 4.37Å; F67-W70 PolarHBondContact O-N 3.36Å; F67-T71 WeakPolarHBondContact O-CB 3.35Å; F67-T71 WeakPolarHBondContact O-CG2 3.49Å; F67-T71 PolarHBondContact O-N 2.92Å; F67-T71 PolarHBondContact O-OG1 3.11Å; F67-Y180 HydrophobicContact CB-CD1 3.6Å; F67-Y180 HydrophobicContact CB-CD2 4.13Å; F67-Y180 HydrophobicContact CB-CE1 3.51Å; F67-Y180 HydrophobicContact CB-CE2 4.06Å; F67-Y180 HydrophobicContact CB-CG 3.92Å; F67-Y180 HydrophobicContact CD1-CE1 4.24Å; F67-Y180 HydrophobicContact CD1-CE2 4.09Å; F67-Y180 AromaticContact CD1-CZ 3.72Å; F67-Y180 HydrophobicContact CD2-CE1 4.44Å; F67-Y180 HydrophobicContact CG-CD1 4.42Å; F67-Y180 AromaticContact CG-CE1 3.83Å; F67-Y180 HydrophobicContact CG-CE1 3.83Å; F67-Y180 HydrophobicContact CG-CE2 4.38Å; F67-Y180 AromaticContact CG-CZ 3.81Å
68F98.7Very high98.5Very high10 Ų1050.9 Ų50.94%0.04425%0.251CS..Hα-helixtrans-57.7-52.6172.6166.4-93000111.1V32 I64 F65 W70 T71 Y72 F177 S181V32-F68 HydrophobicContact CB-CE1 4.4Å; V32-F68 HydrophobicContact CG1-CE1 3.85Å; V32-F68 HydrophobicContact CG2-CE1 3.6Å; V32-F68 HydrophobicContact CG2-CZ 3.65Å; I64-F68 WeakPolarHBondContact O-CB 3.23Å; I64-F68 PolarHBondContact O-N 3.27Å; F65-F68 PolarHBondContact O-N 3.32Å; F68-W70 VanDerWaalsContact C-N 3.35Å; F68-W70 PolarHBondContact O-N 3.45Å; F68-T71 PolarHBondContact O-N 3.18Å; F68-T71 PolarHBondContact O-OG1 3.22Å; F68-Y72 WeakPolarHBondContact O-CB 3.32Å; F68-Y72 PolarHBondContact O-N 2.74Å; F68-F177 HydrophobicContact CD2-CD2 4.46Å; F68-F177 HydrophobicContact CD2-CE2 4.37Å; F68-F177 HydrophobicContact CE2-CD2 4.23Å; F68-F177 AromaticContact CE2-CE2 3.71Å; F68-F177 HydrophobicContact CE2-CE2 3.71Å; F68-F177 HydrophobicContact CZ-CE2 4.24Å; F68-S181 WeakPolarHBondContact CD2-OG 3.4Å; F68-S181 WeakPolarHBondContact CE2-OG 3.43Å
69A98.6Very high98.5Very high39 Ų3955.7 Ų55.732%0.32228%0.277SS..Hα-helixtrans-63.7-40.9-179.100000111.7F65 V66 W73F65-A69 VanDerWaalsContact O-CB 3.3Å; F65-A69 WeakPolarHBondContact O-CB 3.21Å; F65-A69 PolarHBondContact O-N 3.31Å; V66-A69 PolarHBondContact O-N 2.86Å; A69-W73 VanDerWaalsContact O-CB 3.3Å; A69-W73 WeakPolarHBondContact O-CB 3.43Å; A69-W73 PolarHBondContact O-N 2.77Å
70W98.6Very high98.4Very high105 Ų10551.2 Ų51.240%0.39825%0.254SS..Hα-helixtrans-65.8-44.6179.3-170.78.3000112V66 F67 F68 W73 K74 I283 P284V66-W70 WeakPolarHBondContact O-CB 3.35Å; V66-W70 PolarHBondContact O-N 3.25Å; F67-W70 HydrophobicContact CD1-CE3 4.45Å; F67-W70 HydrophobicContact CE1-CE3 4.4Å; F67-W70 HydrophobicContact CE1-CZ3 4.37Å; F67-W70 PolarHBondContact O-N 3.36Å; F68-W70 VanDerWaalsContact C-N 3.35Å; F68-W70 PolarHBondContact O-N 3.45Å; W70-W73 PolarHBondContact O-N 2.88Å; W70-K74 WeakPolarHBondContact O-CB 3.48Å; W70-K74 VanDerWaalsContact O-CG 3.28Å; W70-K74 WeakPolarHBondContact O-CG 3.48Å; W70-K74 PolarHBondContact O-N 3.15Å; W70-I283 HydrophobicContact CH2-CG2 3.98Å; W70-I283 HydrophobicContact CZ3-CG2 4.31Å; W70-P284 HydrophobicContact CB-CG 4.3Å; W70-P284 HydrophobicContact CD2-CG 3.21Å; W70-P284 VanDerWaalsContact CE2-CG 3.42Å; W70-P284 HydrophobicContact CE3-CG 3.5Å; W70-P284 HydrophobicContact CG-CG 3.56Å; W70-P284 HydrophobicContact CH2-CG 4.14Å; W70-P284 HydrophobicContact CZ2-CG 3.89Å; W70-P284 HydrophobicContact CZ3-CG 3.96Å
71T98.7Very high98.4Very high0 Ų050.3 Ų50.30%025%0.248CC..Hα-helixtrans-70.3-36.1178.351.10000112.5F67 F68 K74 S75 Q176 F177 Y180 P284F67-T71 WeakPolarHBondContact O-CB 3.35Å; F67-T71 WeakPolarHBondContact O-CG2 3.49Å; F67-T71 PolarHBondContact O-N 2.92Å; F67-T71 PolarHBondContact O-OG1 3.11Å; F68-T71 PolarHBondContact O-N 3.18Å; F68-T71 PolarHBondContact O-OG1 3.22Å; T71-K74 PolarHBondContact O-N 3Å; T71-S75 WeakPolarHBondContact O-CB 3.48Å; T71-S75 PolarHBondContact O-N 3.29Å; T71-S75 PolarHBondContact O-OG 3.2Å; T71-Q176 HydrophobicContact CG2-CB 3.6Å; T71-F177 WeakPolarHBondContact OG1-CA 3.23Å; T71-Y180 HydrophobicContact CG2-CD2 3.8Å; T71-Y180 HydrophobicContact CG2-CE2 4.08Å; T71-P284 HydrophobicContact CG2-CB 3.68Å; T71-P284 HydrophobicContact CG2-CG 4.06Å
72Y98.8Very high98.4Very high15 Ų1554.8 Ų54.86%0.05927%0.269CS..Hα-helixtrans-63.1-48.3172.3-171.7-131000111.3I28 V29 F68 K74 S75 I76 W161 V162 F177I28-Y72 HydrophobicContact CG2-CE1 3.89Å; I28-Y72 HydrophobicContact CG2-CE2 4.38Å; V29-Y72 HydrophobicContact CG2-CE1 4.3Å; F68-Y72 WeakPolarHBondContact O-CB 3.32Å; F68-Y72 PolarHBondContact O-N 2.74Å; Y72-K74 VanDerWaalsContact C-N 3.33Å; Y72-K74 PolarHBondContact O-N 3.5Å; Y72-S75 PolarHBondContact O-N 2.88Å; Y72-S75 VanDerWaalsContact O-N 3.13Å; Y72-I76 HydrophobicContact CD1-CD1 3.86Å; Y72-I76 HydrophobicContact CD2-CD1 4.2Å; Y72-I76 HydrophobicContact CD2-CG1 4.49Å; Y72-I76 HydrophobicContact CE1-CD1 3.6Å; Y72-I76 HydrophobicContact CE2-CD1 3.95Å; Y72-I76 HydrophobicContact CE2-CG1 4.28Å; Y72-I76 HydrophobicContact CG-CD1 4.15Å; Y72-I76 WeakPolarHBondContact O-CG1 3.21Å; Y72-I76 PolarHBondContact O-N 3.34Å; Y72-W161 WeakPolarHBondContact CE2-O 3.4Å; Y72-W161 PolarHBondContact OH-O 3.34Å; Y72-V162 HydrophobicContact CD2-CG1 4.07Å; Y72-V162 HydrophobicContact CE2-CG1 3.73Å; Y72-F177 AromaticContact CD2-CD2 3.74Å; Y72-F177 HydrophobicContact CD2-CD2 3.74Å; Y72-F177 HydrophobicContact CD2-CE1 4.26Å; Y72-F177 AromaticContact CD2-CE2 3.33Å; Y72-F177 HydrophobicContact CD2-CE2 3.33Å; Y72-F177 HydrophobicContact CD2-CG 4.36Å; Y72-F177 AromaticContact CD2-CZ 3.62Å; Y72-F177 HydrophobicContact CD2-CZ 3.62Å; Y72-F177 HydrophobicContact CE2-CE2 4.06Å; Y72-F177 AromaticContact CE2-CZ 3.93Å; Y72-F177 HydrophobicContact CE2-CZ 3.93Å; Y72-F177 HydrophobicContact CG-CD2 4.15Å; Y72-F177 AromaticContact CG-CE2 3.89Å; Y72-F177 HydrophobicContact CG-CE2 3.89Å
73W98.7Very high98.3Very high157 Ų15752.1 Ų52.160%0.59526%0.257SS*.Hα-helixtrans-55.3-47.8173.9178.6-83.4000111.7A69 W70 S75 I76 F77A69-W73 VanDerWaalsContact O-CB 3.3Å; A69-W73 WeakPolarHBondContact O-CB 3.43Å; A69-W73 PolarHBondContact O-N 2.77Å; W70-W73 PolarHBondContact O-N 2.88Å; W73-S75 VanDerWaalsContact C-N 3.3Å; W73-S75 PolarHBondContact O-N 3.1Å; W73-I76 PolarHBondContact O-N 3.44Å; W73-F77 AromaticContact CD2-CD2 3.38Å; W73-F77 HydrophobicContact CD2-CD2 3.38Å; W73-F77 AromaticContact CD2-CE2 3.64Å; W73-F77 HydrophobicContact CD2-CE2 3.64Å; W73-F77 HydrophobicContact CD2-CG 4.48Å; W73-F77 AromaticContact CE2-CD2 3.41Å; W73-F77 VanDerWaalsContact CE2-CD2 3.41Å; W73-F77 AromaticContact CE2-CE2 3.89Å; W73-F77 AromaticContact CE3-CD2 3.7Å; W73-F77 HydrophobicContact CE3-CD2 3.7Å; W73-F77 AromaticContact CE3-CE2 3.39Å; W73-F77 HydrophobicContact CE3-CE2 3.39Å; W73-F77 HydrophobicContact CE3-CZ 4.47Å; W73-F77 AromaticContact CG-CD2 3.82Å; W73-F77 HydrophobicContact CG-CD2 3.82Å; W73-F77 HydrophobicContact CG-CE2 4.4Å; W73-F77 HydrophobicContact CH2-CD2 4.04Å; W73-F77 AromaticContact CH2-CE2 3.72Å; W73-F77 HydrophobicContact CH2-CE2 3.72Å; W73-F77 HydrophobicContact CH2-CZ 4.21Å; W73-F77 AromaticContact CZ2-CD2 3.76Å; W73-F77 HydrophobicContact CZ2-CD2 3.76Å; W73-F77 AromaticContact CZ2-CE2 3.95Å; W73-F77 HydrophobicContact CZ2-CE2 3.95Å; W73-F77 HydrophobicContact CZ2-CG 4.3Å; W73-F77 HydrophobicContact CZ3-CD2 4.02Å; W73-F77 AromaticContact CZ3-CE2 3.44Å; W73-F77 HydrophobicContact CZ3-CE2 3.44Å; W73-F77 VanDerWaalsContact CZ3-CE2 3.44Å; W73-F77 HydrophobicContact CZ3-CZ 4.13Å; W73-F77 AromaticContact NE1-CD2 3.84Å; W73-F77 WeakPolarHBondContact O-CD2 3.48Å; W73-F77 PolarHBondContact O-N 3.04Å
74K98.6Very high98.2Very high55 Ų5552.6 Ų52.624%0.23925%0.253CS..Hα-helixtrans-63.9-34.2179.1-74.1-69.7-67.7156.30112.6W70 T71 Y72 T78 F173 P284W70-K74 WeakPolarHBondContact O-CB 3.48Å; W70-K74 VanDerWaalsContact O-CG 3.28Å; W70-K74 WeakPolarHBondContact O-CG 3.48Å; W70-K74 PolarHBondContact O-N 3.15Å; T71-K74 PolarHBondContact O-N 3Å; Y72-K74 VanDerWaalsContact C-N 3.33Å; Y72-K74 PolarHBondContact O-N 3.5Å; K74-T78 PolarHBondContact NZ-OG1 2.76Å; K74-T78 VanDerWaalsContact NZ-OG1 3.11Å; K74-T78 WeakPolarHBondContact O-CB 3.44Å; K74-T78 PolarHBondContact O-N 3.4Å; K74-T78 PolarHBondContact O-OG1 3.08Å; K74-F173 HydrophobicContact CB-CB 3.96Å; K74-F173 HydrophobicContact CB-CD1 4.18Å; K74-F173 HydrophobicContact CB-CD2 3.99Å; K74-F173 HydrophobicContact CB-CG 3.77Å; K74-F173 VanDerWaalsContact CE-CZ 3.45Å; K74-P284 WeakPolarHBondContact CE-O 3.3Å; K74-P284 HydrophobicContact CG-CB 4.3Å
75S98.4Very high98.1Very high0 Ų058.5 Ų58.50%028%0.28CS..Hα-helixtrans-69.6-38.7176.4-58.50000112.3T71 Y72 W73 N164 F173 F174T71-S75 WeakPolarHBondContact O-CB 3.48Å; T71-S75 PolarHBondContact O-N 3.29Å; T71-S75 PolarHBondContact O-OG 3.2Å; Y72-S75 PolarHBondContact O-N 2.88Å; Y72-S75 VanDerWaalsContact O-N 3.13Å; W73-S75 VanDerWaalsContact C-N 3.3Å; W73-S75 PolarHBondContact O-N 3.1Å; S75-N164 PolarHBondContact O-ND2 2.94Å; S75-N164 VanDerWaalsContact O-ND2 3.1Å; S75-F173 VanDerWaalsContact OG-C 3.25Å; S75-F173 PolarHBondContact OG-O 2.64Å; S75-F174 PolarHBondContact OG-N 2.66Å
76I98.4Very high97.9Very high13 Ų1361.7 Ų61.77%0.06729%0.294CS..Hα-helixtrans-70.2-51.7176.9-64.5164.9000111.1W22 V25 Y72 W73 V162 N164W22-I76 HydrophobicContact CH2-CG2 3.91Å; W22-I76 HydrophobicContact CZ3-CG2 3.84Å; V25-I76 HydrophobicContact CG1-CD1 3.93Å; Y72-I76 HydrophobicContact CD1-CD1 3.86Å; Y72-I76 HydrophobicContact CD2-CD1 4.2Å; Y72-I76 HydrophobicContact CD2-CG1 4.49Å; Y72-I76 HydrophobicContact CE1-CD1 3.6Å; Y72-I76 HydrophobicContact CE2-CD1 3.95Å; Y72-I76 HydrophobicContact CE2-CG1 4.28Å; Y72-I76 HydrophobicContact CG-CD1 4.15Å; Y72-I76 WeakPolarHBondContact O-CG1 3.21Å; Y72-I76 PolarHBondContact O-N 3.34Å; W73-I76 PolarHBondContact O-N 3.44Å; I76-V162 HydrophobicContact CG1-CB 3.84Å; I76-V162 HydrophobicContact CG1-CG1 4.23Å; I76-N164 PolarHBondContact O-ND2 2.75Å; I76-N164 VanDerWaalsContact O-ND2 3.08Å
77F98.4Very high97.9Very high96 Ų9657.8 Ų57.842%0.42127%0.27SS..Hα-helixtrans-99.7-4.9-164.7-63.7-70000114.7W22 W73 L79W22-F77 HydrophobicContact CH2-CE1 4.03Å; W22-F77 HydrophobicContact CH2-CZ 4.37Å; W73-F77 AromaticContact CD2-CD2 3.38Å; W73-F77 HydrophobicContact CD2-CD2 3.38Å; W73-F77 AromaticContact CD2-CE2 3.64Å; W73-F77 HydrophobicContact CD2-CE2 3.64Å; W73-F77 HydrophobicContact CD2-CG 4.48Å; W73-F77 AromaticContact CE2-CD2 3.41Å; W73-F77 VanDerWaalsContact CE2-CD2 3.41Å; W73-F77 AromaticContact CE2-CE2 3.89Å; W73-F77 AromaticContact CE3-CD2 3.7Å; W73-F77 HydrophobicContact CE3-CD2 3.7Å; W73-F77 AromaticContact CE3-CE2 3.39Å; W73-F77 HydrophobicContact CE3-CE2 3.39Å; W73-F77 HydrophobicContact CE3-CZ 4.47Å; W73-F77 AromaticContact CG-CD2 3.82Å; W73-F77 HydrophobicContact CG-CD2 3.82Å; W73-F77 HydrophobicContact CG-CE2 4.4Å; W73-F77 HydrophobicContact CH2-CD2 4.04Å; W73-F77 AromaticContact CH2-CE2 3.72Å; W73-F77 HydrophobicContact CH2-CE2 3.72Å; W73-F77 HydrophobicContact CH2-CZ 4.21Å; W73-F77 AromaticContact CZ2-CD2 3.76Å; W73-F77 HydrophobicContact CZ2-CD2 3.76Å; W73-F77 AromaticContact CZ2-CE2 3.95Å; W73-F77 HydrophobicContact CZ2-CE2 3.95Å; W73-F77 HydrophobicContact CZ2-CG 4.3Å; W73-F77 HydrophobicContact CZ3-CD2 4.02Å; W73-F77 AromaticContact CZ3-CE2 3.44Å; W73-F77 HydrophobicContact CZ3-CE2 3.44Å; W73-F77 VanDerWaalsContact CZ3-CE2 3.44Å; W73-F77 HydrophobicContact CZ3-CZ 4.13Å; W73-F77 AromaticContact NE1-CD2 3.84Å; W73-F77 WeakPolarHBondContact O-CD2 3.48Å; W73-F77 PolarHBondContact O-N 3.04Å; F77-L79 PolarHBondContact O-N 2.82Å
78T98.4Very high97.8Very high24 Ų2457 Ų5715%0.14727%0.267CS..SBendtrans-79.8107.6167.1-550000108.7K74 N164 S169 N170 F173K74-T78 PolarHBondContact NZ-OG1 2.76Å; K74-T78 VanDerWaalsContact NZ-OG1 3.11Å; K74-T78 WeakPolarHBondContact O-CB 3.44Å; K74-T78 PolarHBondContact O-N 3.4Å; K74-T78 PolarHBondContact O-OG1 3.08Å; T78-N164 PolarHBondContact O-ND2 3.12Å; T78-S169 WeakPolarHBondContact CG2-O 3.3Å; T78-N170 HydrophobicContact CG2-CB 4.06Å; T78-F173 HydrophobicContact CG2-CD2 4.25Å; T78-F173 HydrophobicContact CG2-CE2 3.95Å; T78-F173 WeakPolarHBondContact OG1-CE2 3.43Å
79L97.7Very high97.6Very high138 Ų13857.3 Ų57.372%0.72327%0.269SS*.PPolyproline II helixtrans-65.2142.2-177.4-63.8175.4000111.6F77 S169F77-L79 PolarHBondContact O-N 2.82Å; L79-S169 PolarHBondContact O-OG 2.83Å
80P97.6Very high97.4Very high15 Ų1557.6 Ų57.610%0.09727%0.268CS..PPolyproline II helixtrans-63.5136.2173.924.2-32.3000110M150 V152 N164 C165 S169P80-M150 HydrophobicContact CB-CE 3.92Å; P80-M150 HydrophobicContact CG-CE 3.68Å; P80-M150 HydrophobicContact CG-SD 4.18Å; P80-M150 WeakPolarHBondContact O-CE 3.39Å; P80-V152 HydrophobicContact CB-CG1 3.82Å; P80-V152 HydrophobicContact CB-CG2 4.06Å; P80-N164 WeakPolarHBondContact CD-OD1 3.33Å; P80-C165 HydrophobicContact CB-CB 4.12Å; P80-C165 HydrophobicContact CG-CB 4.15Å; P80-S169 WeakPolarHBondContact CA-OG 3.17Å
81Q97.4Very high97.1Very high68 Ų6861.3 Ų61.332%0.31828%0.284SS..PPolyproline II helixtrans-78.9140.4179.1-166.2179-19.500111.2L153 S169 D291Q81-L153 HydrophobicContact CB-CD1 4.01Å; Q81-L153 HydrophobicContact CB-CG 4.42Å; Q81-L153 HydrophobicContact CG-CD1 3.64Å; Q81-L153 HydrophobicContact CG-CG 4.48Å; Q81-L153 WeakPolarHBondContact O-CG 3.22Å; Q81-L153 PolarHBondContact O-N 2.83Å; Q81-S169 PolarHBondContact N-OG 2.89Å; Q81-D291 PolarHBondContact NE2-O 3.42Å
82Q97.8Very high96.8Very high95 Ų9564.5 Ų64.544%0.44430%0.303SS..PPolyproline II helixtrans-97.9157176-67.9-170.437.100111.9N84 M150Q82-N84 PolarHBondContact O-N 3.44Å; Q82-M150 HydrophobicContact CG-CB 4.43Å; Q82-M150 HydrophobicContact CG-CE 3.19Å; Q82-M150 HydrophobicContact CG-SD 4.11Å; Q82-M150 PolarHBondContact NE2-SD 3.1Å
83P97.9Very high96.5Very high6 Ų666 Ų664%0.03931%0.312CS..PPolyproline II helixtrans-51.2139.2162.8-24.434.7000111.1F87 H88 L136 P139 C151 L153P83-F87 HydrophobicContact CB-CB 3.95Å; P83-F87 HydrophobicContact CB-CD2 4.2Å; P83-F87 HydrophobicContact CB-CG 4.27Å; P83-H88 PolarHBondContact O-CE1 2.93Å; P83-L136 HydrophobicContact CB-CD1 4.35Å; P83-L136 HydrophobicContact CB-CD2 4.14Å; P83-L136 HydrophobicContact CG-CD1 3.94Å; P83-L136 HydrophobicContact CG-CD2 3.94Å; P83-P139 HydrophobicContact CB-CG 3.96Å; P83-P139 HydrophobicContact CG-CG 3.98Å; P83-C151 WeakPolarHBondContact CD-O 3.32Å; P83-C151 HydrophobicContact CG-CB 3.91Å; P83-L153 HydrophobicContact CB-CD2 4.42Å; P83-L153 HydrophobicContact CG-CD2 3.93Å
84N96.3Very high96.3Very high62 Ų6262.1 Ų62.133%0.33230%0.299SS..PPolyproline II helixtrans-76173.3175.655.313.1000110.9Q82 K86 F87 H88 H293Q82-N84 PolarHBondContact O-N 3.44Å; N84-K86 PolarHBondContact O-N 3.34Å; N84-K86 VanDerWaalsContact O-N 3.08Å; N84-K86 WeakPolarHBondContact OD1-CD 3.49Å; N84-K86 VanDerWaalsContact OD1-CE 3.28Å; N84-K86 WeakPolarHBondContact OD1-CE 3.18Å; N84-K86 VanDerWaalsContact OD1-CG 3.24Å; N84-K86 WeakPolarHBondContact OD1-CG 3.46Å; N84-F87 PolarHBondContact O-N 2.88Å; N84-F87 VanDerWaalsContact O-N 3.13Å; N84-F87 WeakPolarHBondContact OD1-CD2 3.33Å; N84-F87 VanDerWaalsContact OD1-CE2 3.31Å; N84-F87 WeakPolarHBondContact OD1-CE2 3.33Å; N84-H88 PolarHBondContact O-ND1 3.2Å; N84-H88 VanDerWaalsContact O-ND1 3.13Å; N84-H293 PolarHBondContact N-NE2 3.37Å; N84-H293 VanDerWaalsContact N-NE2 3.17Å
85Q94.9Very high96.1Very high142 Ų14263.9 Ų63.966%0.66431%0.309SS*.G310 helixtrans-57.6-29.3-171.9-166.761.928.200113.6F87 H88Q85-F87 PolarHBondContact O-N 3.18Å; Q85-F87 VanDerWaalsContact O-N 3.17Å; Q85-H88 WeakPolarHBondContact O-CB 3.31Å; Q85-H88 PolarHBondContact O-N 2.98Å
86K95.6Very high95.8Very high107 Ų10771.2 Ų71.247%0.46534%0.336SS..G310 helixtrans-62.6-23.3-179.282.9-162.8174.9175.80113.8N84 L117N84-K86 PolarHBondContact O-N 3.34Å; N84-K86 VanDerWaalsContact O-N 3.08Å; N84-K86 WeakPolarHBondContact OD1-CD 3.49Å; N84-K86 VanDerWaalsContact OD1-CE 3.28Å; N84-K86 WeakPolarHBondContact OD1-CE 3.18Å; N84-K86 VanDerWaalsContact OD1-CG 3.24Å; N84-K86 WeakPolarHBondContact OD1-CG 3.46Å; K86-L117 HydrophobicContact CB-CD2 4.47Å; K86-L117 HydrophobicContact CG-CD2 3.95Å; K86-L117 WeakPolarHBondContact O-CD2 3.31Å
87F97.1Very high95.6Very high2 Ų272 Ų721%0.00934%0.339CS..G310 helixtrans-86.8-17.4176.1-70.9-83.5000113.2P83 N84 Q85 L117 P118 V119 L136 I137 P139 H293P83-F87 HydrophobicContact CB-CB 3.95Å; P83-F87 HydrophobicContact CB-CD2 4.2Å; P83-F87 HydrophobicContact CB-CG 4.27Å; N84-F87 PolarHBondContact O-N 2.88Å; N84-F87 VanDerWaalsContact O-N 3.13Å; N84-F87 WeakPolarHBondContact OD1-CD2 3.33Å; N84-F87 VanDerWaalsContact OD1-CE2 3.31Å; N84-F87 WeakPolarHBondContact OD1-CE2 3.33Å; Q85-F87 PolarHBondContact O-N 3.18Å; Q85-F87 VanDerWaalsContact O-N 3.17Å; F87-L117 HydrophobicContact CD1-CD1 3.81Å; F87-L117 HydrophobicContact CD1-CD2 4.32Å; F87-L117 HydrophobicContact CD1-CG 4.49Å; F87-L117 HydrophobicContact CE1-CB 4.23Å; F87-L117 HydrophobicContact CE1-CD1 4.21Å; F87-L117 HydrophobicContact CE1-CD2 4.31Å; F87-L117 HydrophobicContact CE1-CG 4.5Å; F87-P118 HydrophobicContact CZ-CG 4.37Å; F87-V119 HydrophobicContact CE1-CG1 3.8Å; F87-L136 CarbonylContact O-C 3.6Å; F87-L136 WeakPolarHBondContact O-CA 3.15Å; F87-L136 VanDerWaalsContact O-CB 3.26Å; F87-L136 WeakPolarHBondContact O-CB 3.38Å; F87-I137 WeakPolarHBondContact CB-O 3.5Å; F87-I137 VanDerWaalsContact CD1-O 3.31Å; F87-I137 WeakPolarHBondContact CD1-O 3.25Å; F87-I137 PolarHBondContact O-N 2.91Å; F87-P139 HydrophobicContact CD1-CB 4.41Å; F87-P139 HydrophobicContact CD1-CG 3.71Å; F87-P139 HydrophobicContact CD2-CG 3.94Å; F87-P139 HydrophobicContact CE1-CB 3.92Å; F87-P139 HydrophobicContact CE1-CG 3.67Å; F87-P139 HydrophobicContact CE2-CG 3.9Å; F87-P139 HydrophobicContact CG-CG 3.87Å; F87-P139 HydrophobicContact CZ-CB 4Å; F87-P139 HydrophobicContact CZ-CG 3.78Å; F87-H293 AromaticContact CD2-CD2 3.81Å; F87-H293 HydrophobicContact CE2-CB 3.73Å; F87-H293 AromaticContact CE2-CD2 3.31Å; F87-H293 WeakPolarHBondContact CE2-CD2 3.49Å; F87-H293 AromaticContact CE2-CG 3.61Å; F87-H293 HydrophobicContact CZ-CB 3.83Å
88H96.9Very high95.4Very high49 Ų4972.5 Ų72.523%0.22734%0.342CS..BIsolated β-bridgetrans-79145.2178.1-67.776.8000109.8P83 N84 Q85 S90 L136P83-H88 PolarHBondContact O-CE1 2.93Å; N84-H88 PolarHBondContact O-ND1 3.2Å; N84-H88 VanDerWaalsContact O-ND1 3.13Å; Q85-H88 WeakPolarHBondContact O-CB 3.31Å; Q85-H88 PolarHBondContact O-N 2.98Å; H88-S90 PolarHBondContact O-N 3.36Å; H88-L136 HydrophobicContact CB-CB 4.49Å; H88-L136 WeakPolarHBondContact NE2-CD2 3.46Å
89L94.6Very high95.2Very high15 Ų1576.9 Ų76.98%0.07937%0.365CS..PPolyproline II helixtrans-60.8133.1170-87.955.1000108.5D93 K94 Y97 M113 F130 L135L89-D93 HydrophobicContact CB-CB 4.28Å; L89-D93 HydrophobicContact CG-CB 4.23Å; L89-K94 HydrophobicContact CB-CB 4.19Å; L89-Y97 HydrophobicContact CD2-CD1 4.37Å; L89-Y97 HydrophobicContact CD2-CG 4.13Å; L89-M113 HydrophobicContact CD1-CE 3.95Å; L89-M113 HydrophobicContact CD1-SD 4.18Å; L89-M113 HydrophobicContact CD2-CE 4.43Å; L89-M113 HydrophobicContact CG-CE 4.02Å; L89-M113 HydrophobicContact CG-SD 4.09Å; L89-F130 HydrophobicContact CD1-CE2 3.64Å; L89-F130 HydrophobicContact CD1-CZ 4.4Å; L89-F130 HydrophobicContact CD2-CE2 4.21Å; L89-F130 HydrophobicContact CD2-CZ 4.17Å; L89-L135 PolarHBondContact N-O 2.95Å
90S93.7Very high95.1Very high45 Ų4572.2 Ų72.232%0.31534%0.339SS..PPolyproline II helixtrans-61.6162168.774.50000109.6H88 T92 D93 K94H88-S90 PolarHBondContact O-N 3.36Å; S90-T92 PolarHBondContact O-N 3.3Å; S90-T92 PolarHBondContact OG-OG1 3.24Å; S90-T92 VanDerWaalsContact OG-OG1 3.05Å; S90-D93 WeakPolarHBondContact CB-OD2 3.49Å; S90-D93 PolarHBondContact O-N 2.81Å; S90-D93 VanDerWaalsContact O-N 3.14Å; S90-D93 WeakPolarHBondContact OG-CB 3.46Å; S90-D93 PolarHBondContact OG-N 2.98Å; S90-D93 VanDerWaalsContact OG-N 3.11Å; S90-D93 PolarHBondContact OG-OD2 3.01Å; S90-K94 WeakPolarHBondContact O-CB 3.41Å; S90-K94 PolarHBondContact O-N 3.1Å
91Y92.6Very high94.9Very high183 Ų18380.3 Ų80.372%0.71838%0.376SS*.Hα-helixtrans-53.4-43.3177.2177.6-98.7000111.9K94 E95Y91-K94 PolarHBondContact O-N 3.32Å; Y91-E95 PolarHBondContact O-N 3.11Å
92T92.8Very high94.9Very high67 Ų6784.2 Ų84.241%0.41139%0.388SS..Hα-helixtrans-70.3-36.6179.352.60000113.1S90 R96S90-T92 PolarHBondContact O-N 3.3Å; S90-T92 PolarHBondContact OG-OG1 3.24Å; S90-T92 VanDerWaalsContact OG-OG1 3.05Å; T92-R96 VanDerWaalsContact O-CG 3.26Å; T92-R96 WeakPolarHBondContact O-CG 3.16Å; T92-R96 PolarHBondContact O-N 3.33Å; T92-R96 VanDerWaalsContact O-N 3.13Å
93D93.2Very high94.7Very high46 Ų4683.9 Ų83.925%0.24639%0.394CS..Hα-helixtrans-72-36177.8-62.6-39.1000111L89 S90 Y97 M113L89-D93 HydrophobicContact CB-CB 4.28Å; L89-D93 HydrophobicContact CG-CB 4.23Å; S90-D93 WeakPolarHBondContact CB-OD2 3.49Å; S90-D93 PolarHBondContact O-N 2.81Å; S90-D93 VanDerWaalsContact O-N 3.14Å; S90-D93 WeakPolarHBondContact OG-CB 3.46Å; S90-D93 PolarHBondContact OG-N 2.98Å; S90-D93 VanDerWaalsContact OG-N 3.11Å; S90-D93 PolarHBondContact OG-OD2 3.01Å; D93-Y97 WeakPolarHBondContact O-CB 3.46Å; D93-Y97 PolarHBondContact O-N 3.09Å; D93-M113 HydrophobicContact CB-SD 4.02Å
94K93.3Very high94.6Very high76 Ų7690.1 Ų90.133%0.3342%0.423SS..Hα-helixtrans-60.9-51.9174177.4-179.4174174.90111.1L89 S90 Y91 R96 Y97 E98 L135L89-K94 HydrophobicContact CB-CB 4.19Å; S90-K94 WeakPolarHBondContact O-CB 3.41Å; S90-K94 PolarHBondContact O-N 3.1Å; Y91-K94 PolarHBondContact O-N 3.32Å; K94-R96 VanDerWaalsContact C-N 3.33Å; K94-R96 PolarHBondContact O-N 3.36Å; K94-Y97 PolarHBondContact O-N 3.39Å; K94-E98 WeakPolarHBondContact CE-OE1 3.49Å; K94-E98 VanDerWaalsContact CE-OE2 3.26Å; K94-E98 WeakPolarHBondContact CE-OE2 3.33Å; K94-E98 HydrophobicContact CG-CG 4.32Å; K94-E98 IonicContact NZ-OE1 3.24Å; K94-E98 WeakPolarHBondContact O-CB 3.44Å; K94-E98 WeakPolarHBondContact O-CG 3.47Å; K94-E98 PolarHBondContact O-N 2.87Å; K94-L135 HydrophobicContact CD-CD1 3.6Å; K94-L135 HydrophobicContact CG-CD1 4Å
95E94.1Very high94.5Very high93 Ų9389.3 Ų89.344%0.43542%0.42SS..Hα-helixtrans-59.7-44.4179.4-177.6176.4-157.400111.5Y91 Y97 N99Y91-E95 PolarHBondContact O-N 3.11Å; E95-Y97 PolarHBondContact O-N 2.95Å; E95-N99 WeakPolarHBondContact CG-ND2 3.33Å; E95-N99 VanDerWaalsContact O-CB 3.25Å; E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 2.88Å; E95-N99 PolarHBondContact O-ND2 2.88Å; E95-N99 VanDerWaalsContact O-ND2 3.12Å
96R93.8Very high94.5Very high154 Ų15484.8 Ų84.858%0.58140%0.398SS*.Hα-helixtrans-62.3-42.2175.3-71178-142.6-1685.1112.4T92 K94 E100 M109T92-R96 VanDerWaalsContact O-CG 3.26Å; T92-R96 WeakPolarHBondContact O-CG 3.16Å; T92-R96 PolarHBondContact O-N 3.33Å; T92-R96 VanDerWaalsContact O-N 3.13Å; K94-R96 VanDerWaalsContact C-N 3.33Å; K94-R96 PolarHBondContact O-N 3.36Å; R96-E100 VanDerWaalsContact O-CB 3.31Å; R96-E100 WeakPolarHBondContact O-CB 3.5Å; R96-E100 PolarHBondContact O-N 3.27Å; R96-E100 VanDerWaalsContact O-N 3.12Å; R96-M109 HydrophobicContact CB-CE 3.56Å
97Y93.8Very high94.5Very high28 Ų2884.5 Ų84.511%0.1140%0.397CS..Hα-helixtrans-67-44.3-178.9179.3-95.2000111.6L89 D93 K94 E95 Q106 L110 F130L89-Y97 HydrophobicContact CD2-CD1 4.37Å; L89-Y97 HydrophobicContact CD2-CG 4.13Å; D93-Y97 WeakPolarHBondContact O-CB 3.46Å; D93-Y97 PolarHBondContact O-N 3.09Å; K94-Y97 PolarHBondContact O-N 3.39Å; E95-Y97 PolarHBondContact O-N 2.95Å; Y97-Q106 HydrophobicContact CD2-CB 4.11Å; Y97-Q106 HydrophobicContact CD2-CG 4.07Å; Y97-Q106 HydrophobicContact CE2-CB 3.72Å; Y97-Q106 HydrophobicContact CE2-CG 3.97Å; Y97-Q106 PolarHBondContact O-NE2 3.03Å; Y97-L110 HydrophobicContact CD2-CD2 4.38Å; Y97-L110 HydrophobicContact CE2-CD1 4Å; Y97-L110 HydrophobicContact CE2-CD2 4.07Å; Y97-L110 HydrophobicContact CE2-CG 3.98Å; Y97-F130 AromaticContact CE1-CE1 3.77Å; Y97-F130 HydrophobicContact CE1-CE1 3.77Å; Y97-F130 HydrophobicContact CE1-CZ 4.09Å; Y97-F130 AromaticContact CZ-CE1 3.68Å; Y97-F130 WeakPolarHBondContact OH-CE1 3.05Å
98E93.5Very high94.4Very high108 Ų10888.8 Ų88.851%0.50542%0.417SS..Hα-helixtrans-70.1-31.6179.9-70.8178.7160.700112.7K94K94-E98 WeakPolarHBondContact CE-OE1 3.49Å; K94-E98 VanDerWaalsContact CE-OE2 3.26Å; K94-E98 WeakPolarHBondContact CE-OE2 3.33Å; K94-E98 HydrophobicContact CG-CG 4.32Å; K94-E98 IonicContact NZ-OE1 3.24Å; K94-E98 WeakPolarHBondContact O-CB 3.44Å; K94-E98 WeakPolarHBondContact O-CG 3.47Å; K94-E98 PolarHBondContact O-N 2.87Å
99N94.6Very high94.3Very high116 Ų11688.2 Ų88.262%0.6242%0.415SS*.Hα-helixtrans-87.4-12.3179.4-69.1-28000114.1E95 E101E95-N99 WeakPolarHBondContact CG-ND2 3.33Å; E95-N99 VanDerWaalsContact O-CB 3.25Å; E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 2.88Å; E95-N99 PolarHBondContact O-ND2 2.88Å; E95-N99 VanDerWaalsContact O-ND2 3.12Å; N99-E101 PolarHBondContact O-N 2.56Å
100E95.4Very high94.4Very high39 Ų3988.3 Ų88.318%0.18242%0.416CS..  trans-83.2116.6178.7178.459.3-105.900110.4R96 R102 V105 Q106R96-E100 VanDerWaalsContact O-CB 3.31Å; R96-E100 WeakPolarHBondContact O-CB 3.5Å; R96-E100 PolarHBondContact O-N 3.27Å; R96-E100 VanDerWaalsContact O-N 3.12Å; E100-R102 VanDerWaalsContact OE1-CB 3.27Å; E100-R102 WeakPolarHBondContact OE1-CB 3.39Å; E100-R102 WeakPolarHBondContact OE1-CG 3.47Å; E100-R102 IonicContact OE1-CZ 2.97Å; E100-R102 PolarHBondContact OE1-N 3.18Å; E100-R102 IonicContact OE1-NE 3.06Å; E100-R102 PolarHBondContact OE1-NE 3.37Å; E100-R102 IonicContact OE1-NH2 2.63Å; E100-R102 PolarHBondContact OE1-NH2 2.82Å; E100-R102 IonicContact OE2-CZ 2.71Å; E100-R102 IonicContact OE2-NE 3.34Å; E100-R102 IonicContact OE2-NH2 3.1Å; E100-R102 PolarHBondContact OE2-NH2 3.26Å; E100-V105 HydrophobicContact CG-CB 3.74Å; E100-V105 HydrophobicContact CG-CG1 3.83Å; E100-V105 WeakPolarHBondContact OE2-CG1 3.4Å; E100-Q106 HydrophobicContact CB-CG 4.12Å; E100-Q106 HydrophobicContact CG-CG 4.03Å; E100-Q106 PolarHBondContact O-NE2 2.81Å
101E94.5Very high94.5Very high185 Ų18588.2 Ų88.286%0.86441%0.413SS*.  trans-81.5-20.4-178.9-62.9-176.2169.600112.8N99 P103N99-E101 PolarHBondContact O-N 2.56Å; E101-P103 WeakPolarHBondContact O-CD 3.29Å
102R96.6Very high94.6Very high151 Ų15182.6 Ų82.657%0.5740%0.395SS*.  trans-86.9117.2-176.3-62.8169.4-66175.92.4111.2E100 E104 V105 Q106E100-R102 VanDerWaalsContact OE1-CB 3.27Å; E100-R102 WeakPolarHBondContact OE1-CB 3.39Å; E100-R102 WeakPolarHBondContact OE1-CG 3.47Å; E100-R102 IonicContact OE1-CZ 2.97Å; E100-R102 PolarHBondContact OE1-N 3.18Å; E100-R102 IonicContact OE1-NE 3.06Å; E100-R102 PolarHBondContact OE1-NE 3.37Å; E100-R102 IonicContact OE1-NH2 2.63Å; E100-R102 PolarHBondContact OE1-NH2 2.82Å; E100-R102 IonicContact OE2-CZ 2.71Å; E100-R102 IonicContact OE2-NE 3.34Å; E100-R102 IonicContact OE2-NH2 3.1Å; E100-R102 PolarHBondContact OE2-NH2 3.26Å; R102-E104 VanDerWaalsContact C-N 3.3Å; R102-E104 PolarHBondContact O-N 2.84Å; R102-V105 HydrophobicContact CB-CB 4.32Å; R102-V105 HydrophobicContact CB-CG2 3.96Å; R102-V105 PolarHBondContact O-N 3.34Å; R102-V105 VanDerWaalsContact O-N 3.15Å; R102-Q106 PolarHBondContact O-N 3.11Å
103P93.6Very high94.6Very high88 Ų8880.7 Ų80.757%0.57138%0.382SS*.Hα-helixtrans-61.3-34.7-177.7-25.235.3000114.1E101 V105 Q106 K107E101-P103 WeakPolarHBondContact O-CD 3.29Å; P103-V105 VanDerWaalsContact C-N 3.32Å; P103-V105 PolarHBondContact O-N 3.07Å; P103-Q106 PolarHBondContact O-N 2.89Å; P103-K107 WeakPolarHBondContact O-CB 3.23Å; P103-K107 PolarHBondContact O-N 3.04Å
104E95Very high94.7Very high137 Ų13778.6 Ų78.664%0.6437%0.371SS*.Hα-helixtrans-65.8-36.2179.6-61-51.2137.500112.1R102 K107 Q108R102-E104 VanDerWaalsContact C-N 3.3Å; R102-E104 PolarHBondContact O-N 2.84Å; E104-K107 PolarHBondContact O-N 3.03Å; E104-Q108 WeakPolarHBondContact O-CB 3.24Å; E104-Q108 PolarHBondContact O-N 3.46Å
105V95.3Very high94.8Very high45 Ų4582 Ų8227%0.27339%0.386SS..Hα-helixtrans-72-42.9177.4-177.60000110.2E100 R102 P103 K107 Q108 M109E100-V105 HydrophobicContact CG-CB 3.74Å; E100-V105 HydrophobicContact CG-CG1 3.83Å; E100-V105 WeakPolarHBondContact OE2-CG1 3.4Å; R102-V105 HydrophobicContact CB-CB 4.32Å; R102-V105 HydrophobicContact CB-CG2 3.96Å; R102-V105 PolarHBondContact O-N 3.34Å; R102-V105 VanDerWaalsContact O-N 3.15Å; P103-V105 VanDerWaalsContact C-N 3.32Å; P103-V105 PolarHBondContact O-N 3.07Å; V105-K107 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 3.46Å; V105-Q108 PolarHBondContact O-N 3.01Å; V105-M109 HydrophobicContact CG1-SD 4.42Å; V105-M109 VanDerWaalsContact O-CG 3.3Å; V105-M109 WeakPolarHBondContact O-CG 3.36Å; V105-M109 PolarHBondContact O-N 3.24Å
106Q94.6Very high94.8Very high46 Ų4686 Ų8622%0.21540%0.402CS..Hα-helixtrans-55.8-46.6172.3-74-176.3-24.500111.7Y97 E100 R102 P103 Q108 M109 L110Y97-Q106 HydrophobicContact CD2-CB 4.11Å; Y97-Q106 HydrophobicContact CD2-CG 4.07Å; Y97-Q106 HydrophobicContact CE2-CB 3.72Å; Y97-Q106 HydrophobicContact CE2-CG 3.97Å; Y97-Q106 PolarHBondContact O-NE2 3.03Å; E100-Q106 HydrophobicContact CB-CG 4.12Å; E100-Q106 HydrophobicContact CG-CG 4.03Å; E100-Q106 PolarHBondContact O-NE2 2.81Å; R102-Q106 PolarHBondContact O-N 3.11Å; P103-Q106 PolarHBondContact O-N 2.89Å; Q106-Q108 VanDerWaalsContact C-N 3.34Å; Q106-Q108 PolarHBondContact O-N 3.28Å; Q106-M109 PolarHBondContact O-N 3.38Å; Q106-L110 WeakPolarHBondContact O-CG 3.36Å; Q106-L110 PolarHBondContact O-N 2.66Å
107K94.6Very high94.9Very high102 Ų10280.1 Ų80.144%0.44338%0.382SS..Hα-helixtrans-60.1-44.5176.8-174.9-179.4177.3-174.60111.4P103 E104 V105 L110 V111P103-K107 WeakPolarHBondContact O-CB 3.23Å; P103-K107 PolarHBondContact O-N 3.04Å; E104-K107 PolarHBondContact O-N 3.03Å; V105-K107 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 3.46Å; K107-L110 PolarHBondContact O-N 2.89Å; K107-V111 WeakPolarHBondContact O-CG2 3.39Å; K107-V111 PolarHBondContact O-N 2.85Å
108Q95.5Very high94.9Very high92 Ų9280.4 Ų80.443%0.4339%0.387SS..Hα-helixtrans-63.3-42.3178.1-173.755.245.600112.1E104 V105 Q106 L110 V111 D112E104-Q108 WeakPolarHBondContact O-CB 3.24Å; E104-Q108 PolarHBondContact O-N 3.46Å; V105-Q108 PolarHBondContact O-N 3.01Å; Q106-Q108 VanDerWaalsContact C-N 3.34Å; Q106-Q108 PolarHBondContact O-N 3.28Å; Q108-L110 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 3.18Å; Q108-V111 WeakPolarHBondContact O-CB 3.44Å; Q108-V111 PolarHBondContact O-N 3.24Å; Q108-V111 VanDerWaalsContact O-N 3.16Å; Q108-D112 VanDerWaalsContact NE2-CG 3.28Å; Q108-D112 PolarHBondContact NE2-OD1 3.18Å; Q108-D112 PolarHBondContact NE2-OD2 3.41Å; Q108-D112 PolarHBondContact O-N 3.38Å
109M95.3Very high95Very high37 Ų3775.6 Ų75.618%0.18237%0.365CS..Hα-helixtrans-58.2-45.8174.6-69.3172.264.900111.8R96 V105 Q106 V111 D112 M113R96-M109 HydrophobicContact CB-CE 3.56Å; V105-M109 HydrophobicContact CG1-SD 4.42Å; V105-M109 VanDerWaalsContact O-CG 3.3Å; V105-M109 WeakPolarHBondContact O-CG 3.36Å; V105-M109 PolarHBondContact O-N 3.24Å; Q106-M109 PolarHBondContact O-N 3.38Å; M109-V111 VanDerWaalsContact C-N 3.32Å; M109-V111 PolarHBondContact O-N 3.13Å; M109-D112 PolarHBondContact O-N 2.94Å; M109-M113 WeakPolarHBondContact O-CG 3.44Å; M109-M113 PolarHBondContact O-N 3.33Å
110L96.3Very high95Very high16 Ų1674 Ų748%0.08435%0.351CS..Hα-helixtrans-61.7-40.2176.7-65.9176.8000111.8Y97 Q106 K107 Q108 M113 A114 V128 F130Y97-L110 HydrophobicContact CD2-CD2 4.38Å; Y97-L110 HydrophobicContact CE2-CD1 4Å; Y97-L110 HydrophobicContact CE2-CD2 4.07Å; Y97-L110 HydrophobicContact CE2-CG 3.98Å; Q106-L110 WeakPolarHBondContact O-CG 3.36Å; Q106-L110 PolarHBondContact O-N 2.66Å; K107-L110 PolarHBondContact O-N 2.89Å; Q108-L110 VanDerWaalsContact C-N 3.34Å; Q108-L110 PolarHBondContact O-N 3.18Å; L110-M113 HydrophobicContact CD2-CE 3.69Å; L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.46Å; L110-A114 PolarHBondContact O-N 3.33Å; L110-V128 HydrophobicContact CB-CB 4.24Å; L110-V128 HydrophobicContact CB-CG1 4.4Å; L110-F130 HydrophobicContact CD1-CB 3.92Å; L110-F130 HydrophobicContact CD1-CD1 4.15Å; L110-F130 HydrophobicContact CD1-CD2 4.49Å; L110-F130 HydrophobicContact CD1-CG 3.94Å; L110-F130 HydrophobicContact CD2-CB 4.43Å; L110-F130 HydrophobicContact CD2-CD1 4.4Å; L110-F130 HydrophobicContact CD2-CD2 3.58Å; L110-F130 HydrophobicContact CD2-CE2 3.86Å; L110-F130 HydrophobicContact CD2-CG 3.89Å; L110-F130 HydrophobicContact CD2-CZ 4.36Å
111V95.8Very high95Very high44 Ų4472.4 Ų72.427%0.26734%0.344SS..Hα-helixtrans-61.5-46.8174.9167.80000111.3K107 Q108 M109 M113 A114 K115 V128K107-V111 WeakPolarHBondContact O-CG2 3.39Å; K107-V111 PolarHBondContact O-N 2.85Å; Q108-V111 WeakPolarHBondContact O-CB 3.44Å; Q108-V111 PolarHBondContact O-N 3.24Å; Q108-V111 VanDerWaalsContact O-N 3.16Å; M109-V111 VanDerWaalsContact C-N 3.32Å; M109-V111 PolarHBondContact O-N 3.13Å; V111-M113 VanDerWaalsContact C-N 3.32Å; V111-M113 PolarHBondContact O-N 2.9Å; V111-A114 PolarHBondContact O-N 2.92Å; V111-K115 WeakPolarHBondContact O-CG 3.16Å; V111-K115 PolarHBondContact O-N 3.25Å; V111-V128 HydrophobicContact CB-CG2 4.44Å; V111-V128 HydrophobicContact CG2-CG2 3.82Å
112D95.1Very high95.1Very high64 Ų6466.1 Ų66.134%0.34231%0.312SS..Hα-helixtrans-69.3-30.9-177.6-68.4-31.3000113Q108 M109 K115Q108-D112 VanDerWaalsContact NE2-CG 3.28Å; Q108-D112 PolarHBondContact NE2-OD1 3.18Å; Q108-D112 PolarHBondContact NE2-OD2 3.41Å; Q108-D112 PolarHBondContact O-N 3.38Å; M109-D112 PolarHBondContact O-N 2.94Å; D112-K115 IonicContact OD1-NZ 2.84Å; D112-K115 PolarHBondContact OD1-NZ 3.43Å
113M93.8Very high95Very high28 Ų2861 Ų6114%0.13830%0.298CS..Hα-helixtrans-70.4-44.6169-72.2-173.3-68.600111.8L89 D93 M109 L110 V111 K115 K116 I137L89-M113 HydrophobicContact CD1-CE 3.95Å; L89-M113 HydrophobicContact CD1-SD 4.18Å; L89-M113 HydrophobicContact CD2-CE 4.43Å; L89-M113 HydrophobicContact CG-CE 4.02Å; L89-M113 HydrophobicContact CG-SD 4.09Å; D93-M113 HydrophobicContact CB-SD 4.02Å; M109-M113 WeakPolarHBondContact O-CG 3.44Å; M109-M113 PolarHBondContact O-N 3.33Å; L110-M113 HydrophobicContact CD2-CE 3.69Å; V111-M113 VanDerWaalsContact C-N 3.32Å; V111-M113 PolarHBondContact O-N 2.9Å; M113-K115 VanDerWaalsContact C-N 3.28Å; M113-K115 PolarHBondContact O-N 3.13Å; M113-K116 WeakPolarHBondContact O-CB 3.46Å; M113-K116 PolarHBondContact O-N 3.49Å; M113-I137 HydrophobicContact CB-CD1 3.49Å; M113-I137 VanDerWaalsContact CB-CD1 3.49Å
114A95.2Very high95Very high2 Ų260.5 Ų60.52%0.01731%0.308CS..Hα-helixtrans-60.9-34.3-179.700000112.8L110 V111 K116 L117 V119 V128 I137L110-A114 VanDerWaalsContact O-CB 3.26Å; L110-A114 WeakPolarHBondContact O-CB 3.46Å; L110-A114 PolarHBondContact O-N 3.33Å; V111-A114 PolarHBondContact O-N 2.92Å; A114-K116 PolarHBondContact O-N 2.99Å; A114-K116 VanDerWaalsContact O-N 3.11Å; A114-L117 PolarHBondContact O-N 3.42Å; A114-V119 HydrophobicContact CB-CG2 3.87Å; A114-V119 WeakPolarHBondContact O-CG2 3.49Å; A114-V128 HydrophobicContact CB-CG1 3.9Å; A114-V128 HydrophobicContact CB-CG2 3.78Å; A114-I137 HydrophobicContact CB-CD1 4.17Å
115K94.1Very high94.8Very high147 Ų14758.8 Ų58.864%0.63931%0.312SS*.THydrogen-bonded Turntrans-57.2-23.5174.8-74.4171.8-172.2161.40113.8V111 D112 M113V111-K115 WeakPolarHBondContact O-CG 3.16Å; V111-K115 PolarHBondContact O-N 3.25Å; D112-K115 IonicContact OD1-NZ 2.84Å; D112-K115 PolarHBondContact OD1-NZ 3.43Å; M113-K115 VanDerWaalsContact C-N 3.28Å; M113-K115 PolarHBondContact O-N 3.13Å
116K94.7Very high94.7Very high177 Ų17758.9 Ų58.977%0.7732%0.322SS*.THydrogen-bonded Turntrans-92.1-0.2-179.9-57173.4-172.8172.40112.7M113 A114M113-K116 WeakPolarHBondContact O-CB 3.46Å; M113-K116 PolarHBondContact O-N 3.49Å; A114-K116 PolarHBondContact O-N 2.99Å; A114-K116 VanDerWaalsContact O-N 3.11Å
117L95.4Very high94.7Very high30 Ų3057.8 Ų57.816%0.15732%0.321CS..SBendtrans-119.2152.4-174.5-63.8172.7000110.6K86 F87 A114 V119 I137K86-L117 HydrophobicContact CB-CD2 4.47Å; K86-L117 HydrophobicContact CG-CD2 3.95Å; K86-L117 WeakPolarHBondContact O-CD2 3.31Å; F87-L117 HydrophobicContact CD1-CD1 3.81Å; F87-L117 HydrophobicContact CD1-CD2 4.32Å; F87-L117 HydrophobicContact CD1-CG 4.49Å; F87-L117 HydrophobicContact CE1-CB 4.23Å; F87-L117 HydrophobicContact CE1-CD1 4.21Å; F87-L117 HydrophobicContact CE1-CD2 4.31Å; F87-L117 HydrophobicContact CE1-CG 4.5Å; A114-L117 PolarHBondContact O-N 3.42Å; L117-V119 HydrophobicContact CB-CG1 4.16Å; L117-V119 HydrophobicContact CB-CG2 4.05Å; L117-V119 PolarHBondContact O-N 3.36Å; L117-I137 HydrophobicContact CD1-CB 4.03Å; L117-I137 HydrophobicContact CD1-CD1 3.97Å; L117-I137 HydrophobicContact CD1-CG2 4.14Å
118P93.9Very high94.8Very high34 Ų3453.6 Ų53.622%0.22130%0.304CS..  trans-77.968.5175.534-35.4000110.2F87 Y120F87-P118 HydrophobicContact CZ-CG 4.37Å; P118-Y120 HydrophobicContact CB-CE2 4.25Å
119V95.1Very high94.9Very high8 Ų850.6 Ų50.65%0.04829%0.288CS..  trans-124.6110.6-177.7-65.70000111.8F87 A114 L117 R122 I137F87-V119 HydrophobicContact CE1-CG1 3.8Å; A114-V119 HydrophobicContact CB-CG2 3.87Å; A114-V119 WeakPolarHBondContact O-CG2 3.49Å; L117-V119 HydrophobicContact CB-CG1 4.16Å; L117-V119 HydrophobicContact CB-CG2 4.05Å; L117-V119 PolarHBondContact O-N 3.36Å; V119-R122 PolarHBondContact O-NH1 2.76Å; V119-I137 HydrophobicContact CG1-CG2 4.4Å; V119-I137 HydrophobicContact CG2-CG2 4.48Å
120Y94.5Very high95.1Very high82 Ų8249.8 Ų49.832%0.32228%0.284SS..  trans-107.3-13.1-172.5-53.3-79.7000112.7P118 D140 T254 M297 M300P118-Y120 HydrophobicContact CB-CE2 4.25Å; Y120-D140 VanDerWaalsContact CD2-OD2 3.31Å; Y120-D140 WeakPolarHBondContact CD2-OD2 3.28Å; Y120-D140 PolarHBondContact N-OD1 2.94Å; Y120-D140 PolarHBondContact N-OD2 2.64Å; Y120-T254 PolarHBondContact O-N 3.37Å; Y120-M297 VanDerWaalsContact CB-SD 3.6Å; Y120-M297 HydrophobicContact CD1-CE 3.88Å; Y120-M297 HydrophobicContact CD2-CE 3.32Å; Y120-M297 HydrophobicContact CD2-SD 3.75Å; Y120-M297 HydrophobicContact CE1-CE 4.18Å; Y120-M297 HydrophobicContact CE2-CE 3.67Å; Y120-M297 HydrophobicContact CG-CE 3.44Å; Y120-M297 VanDerWaalsContact CG-CE 3.44Å; Y120-M297 HydrophobicContact CG-SD 3.73Å; Y120-M300 HydrophobicContact CD1-CE 4.37Å; Y120-M300 HydrophobicContact CE1-CE 3.71Å; Y120-M300 HydrophobicContact CE2-CE 4.35Å
121T96Very high95.1Very high5 Ų549.3 Ų49.33%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-96.9153.9178.165.20000113.5R129 D140 P251 V252 F253 F262T121-R129 VanDerWaalsContact OG1-CD 3.32Å; T121-R129 WeakPolarHBondContact OG1-CD 3.5Å; T121-R129 PolarHBondContact OG1-NH1 3.16Å; T121-R129 VanDerWaalsContact OG1-NH1 3.15Å; T121-D140 VanDerWaalsContact CB-OD1 3.31Å; T121-D140 WeakPolarHBondContact CB-OD1 3.32Å; T121-D140 HydrophobicContact CG2-CB 4.3Å; T121-D140 WeakPolarHBondContact CG2-OD1 3.41Å; T121-D140 PolarHBondContact N-OD1 3.4Å; T121-D140 PolarHBondContact OG1-OD1 3.34Å; T121-P251 HydrophobicContact CG2-CB 4.34Å; T121-V252 CarbonylContact C-O 3.57Å; T121-V252 WeakPolarHBondContact CA-O 3.33Å; T121-V252 WeakPolarHBondContact CB-O 3.47Å; T121-F253 HydrophobicContact CG2-CD1 4.27Å; T121-F253 HydrophobicContact CG2-CE1 4.08Å; T121-F253 HydrophobicContact CG2-CZ 4.29Å; T121-F262 HydrophobicContact CG2-CE2 4.42Å; T121-F262 HydrophobicContact CG2-CZ 3.94Å
122R96.3Very high95.1Very high53 Ų5352.5 Ų52.520%0.230%0.297CS..EExtended strand (participates in β ladder)trans-131171.6-178.9-62.8-61.5177.9-92.2-1111.1V119 A127 R129 V252V119-R122 PolarHBondContact O-NH1 2.76Å; R122-A127 CarbonylContact C-O 3.53Å; R122-A127 WeakPolarHBondContact CA-O 3.34Å; R122-A127 WeakPolarHBondContact CB-O 3.45Å; R122-A127 WeakPolarHBondContact CD-O 3.18Å; R122-R129 WeakPolarHBondContact O-CD 3.3Å; R122-V252 PolarHBondContact N-O 2.74Å
123T95.8Very high95.1Very high45 Ų4558.3 Ų58.328%0.27631%0.314SS..  trans-69.9169.5168.363.30000110.3S125 G126 A127 R129T123-S125 PolarHBondContact O-N 2.85Å; T123-S125 VanDerWaalsContact O-N 3.16Å; T123-S125 PolarHBondContact OG1-N 3.47Å; T123-S125 PolarHBondContact OG1-OG 3.3Å; T123-G126 PolarHBondContact O-N 2.73Å; T123-A127 HydrophobicContact CG2-CB 4.38Å; T123-A127 PolarHBondContact N-O 2.78Å; T123-A127 WeakPolarHBondContact OG1-CA 3.5Å; T123-A127 WeakPolarHBondContact OG1-CB 3.31Å; T123-A127 PolarHBondContact OG1-N 2.68Å; T123-A127 PolarHBondContact OG1-O 3.24Å; T123-R129 HydrophobicContact CG2-CG 4.1Å
124G91.9Very high95.2Very high76 Ų7658.3 Ų58.378%0.78432%0.317SS*.THydrogen-bonded Turntrans-56.1-28.9172.700000113.7G126G124-G126 VanDerWaalsContact C-N 3.32Å; G124-G126 PolarHBondContact O-N 3.29Å
125S92.5Very high95.3Very high101 Ų10159.7 Ų59.771%0.70632%0.324SS*.THydrogen-bonded Turntrans-86.17.3174.657.10000114.6T123 A127T123-S125 PolarHBondContact O-N 2.85Å; T123-S125 VanDerWaalsContact O-N 3.16Å; T123-S125 PolarHBondContact OG1-N 3.47Å; T123-S125 PolarHBondContact OG1-OG 3.3Å; S125-A127 VanDerWaalsContact C-N 3.27Å; S125-A127 PolarHBondContact O-N 3.3Å
126G92.6Very high95.4Very high47 Ų4752.8 Ų52.849%0.48529%0.294SS..SBendtrans76.93.5-178.400000115.4T123 G124T123-G126 PolarHBondContact O-N 2.73Å; G124-G126 VanDerWaalsContact C-N 3.32Å; G124-G126 PolarHBondContact O-N 3.29Å
127A94.8Very high95.6Very high24 Ų2444.5 Ų44.520%0.19826%0.258CS..  trans-75.9160.8178.400000112.6R122 T123 S125 R129R122-A127 CarbonylContact C-O 3.53Å; R122-A127 WeakPolarHBondContact CA-O 3.34Å; R122-A127 WeakPolarHBondContact CB-O 3.45Å; R122-A127 WeakPolarHBondContact CD-O 3.18Å; T123-A127 HydrophobicContact CG2-CB 4.38Å; T123-A127 PolarHBondContact N-O 2.78Å; T123-A127 WeakPolarHBondContact OG1-CA 3.5Å; T123-A127 WeakPolarHBondContact OG1-CB 3.31Å; T123-A127 PolarHBondContact OG1-N 2.68Å; T123-A127 PolarHBondContact OG1-O 3.24Å; S125-A127 VanDerWaalsContact C-N 3.27Å; S125-A127 PolarHBondContact O-N 3.3Å; A127-R129 PolarHBondContact O-N 3.19Å
128V96.9Very high95.7Very high13 Ų1345.2 Ų45.28%0.07926%0.26CS..BIsolated β-bridgetrans-62.9133.1172.5174.60000109.7L110 V111 A114 F130 I137L110-V128 HydrophobicContact CB-CB 4.24Å; L110-V128 HydrophobicContact CB-CG1 4.4Å; V111-V128 HydrophobicContact CB-CG2 4.44Å; V111-V128 HydrophobicContact CG2-CG2 3.82Å; A114-V128 HydrophobicContact CB-CG1 3.9Å; A114-V128 HydrophobicContact CB-CG2 3.78Å; V128-F130 PolarHBondContact O-N 3.49Å; V128-I137 HydrophobicContact CG1-CD1 4.43Å; V128-I137 HydrophobicContact CG1-CG1 4.27Å; V128-I137 HydrophobicContact CG1-CG2 3.88Å
129R97.8Very high95.9Very high30 Ų3043.6 Ų43.611%0.11325%0.249CC..  trans-72.195.3177.5-66170.569.5-119-4.7109.3T121 R122 T123 A127 K138 P139 C142 H143T121-R129 VanDerWaalsContact OG1-CD 3.32Å; T121-R129 WeakPolarHBondContact OG1-CD 3.5Å; T121-R129 PolarHBondContact OG1-NH1 3.16Å; T121-R129 VanDerWaalsContact OG1-NH1 3.15Å; R122-R129 WeakPolarHBondContact O-CD 3.3Å; T123-R129 HydrophobicContact CG2-CG 4.1Å; A127-R129 PolarHBondContact O-N 3.19Å; R129-K138 HydrophobicContact CB-CB 4.1Å; R129-K138 HydrophobicContact CB-CD 4.33Å; R129-K138 WeakPolarHBondContact O-CB 3.49Å; R129-K138 PolarHBondContact O-N 2.92Å; R129-P139 PolarHBondContact NH1-O 3.4Å; R129-C142 PolarHBondContact NH2-O 2.97Å; R129-H143 PolarHBondContact NH2-NE2 3.41Å
130F97.9Very high96Very high20 Ų2043.3 Ų43.39%0.08825%0.248CC..EExtended strand (participates in β ladder)trans-104.5157.4179.7-177.2-116000112L89 Y97 L110 V128 D132 L135 L136 I137 K138L89-F130 HydrophobicContact CD1-CE2 3.64Å; L89-F130 HydrophobicContact CD1-CZ 4.4Å; L89-F130 HydrophobicContact CD2-CE2 4.21Å; L89-F130 HydrophobicContact CD2-CZ 4.17Å; Y97-F130 AromaticContact CE1-CE1 3.77Å; Y97-F130 HydrophobicContact CE1-CE1 3.77Å; Y97-F130 HydrophobicContact CE1-CZ 4.09Å; Y97-F130 AromaticContact CZ-CE1 3.68Å; Y97-F130 WeakPolarHBondContact OH-CE1 3.05Å; L110-F130 HydrophobicContact CD1-CB 3.92Å; L110-F130 HydrophobicContact CD1-CD1 4.15Å; L110-F130 HydrophobicContact CD1-CD2 4.49Å; L110-F130 HydrophobicContact CD1-CG 3.94Å; L110-F130 HydrophobicContact CD2-CB 4.43Å; L110-F130 HydrophobicContact CD2-CD1 4.4Å; L110-F130 HydrophobicContact CD2-CD2 3.58Å; L110-F130 HydrophobicContact CD2-CE2 3.86Å; L110-F130 HydrophobicContact CD2-CG 3.89Å; L110-F130 HydrophobicContact CD2-CZ 4.36Å; V128-F130 PolarHBondContact O-N 3.49Å; F130-D132 WeakPolarHBondContact CD1-OD1 3.28Å; F130-D132 HydrophobicContact CE1-CB 4.38Å; F130-D132 WeakPolarHBondContact CE1-OD1 3.39Å; F130-L135 HydrophobicContact CZ-CD2 4.04Å; F130-L136 WeakPolarHBondContact CD2-O 3.43Å; F130-I137 HydrophobicContact CD2-CG1 4.41Å; F130-K138 WeakPolarHBondContact O-CE 3.4Å; F130-K138 PolarHBondContact O-NZ 3.34Å
131C97.9Very high96.2Very high6 Ų639.6 Ų39.64%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-122.4107171.7-172.30000110.5R133 C134 L135 L136 K138 H144 C151C131-R133 VanDerWaalsContact C-N 3.26Å; C131-R133 PolarHBondContact O-N 3.01Å; C131-C134 HydrophobicContact CB-CB 4.24Å; C131-C134 PolarHBondContact O-N 2.89Å; C131-L135 VanDerWaalsContact O-CA 3.29Å; C131-L135 WeakPolarHBondContact O-CA 3.42Å; C131-L135 PolarHBondContact O-N 3.24Å; C131-L136 HydrophobicContact CB-CD1 4.41Å; C131-L136 HydrophobicContact CB-CG 4.36Å; C131-L136 PolarHBondContact N-O 3Å; C131-L136 PolarHBondContact O-N 3.17Å; C131-K138 HydrophobicContact CB-CG 4.23Å; C131-H144 PolarHBondContact SG-ND1 3.23Å; C131-C151 VanDerWaalsContact SG-SG 3.63Å
132D94.9Very high96.3Very high110 Ų11039.3 Ų39.359%0.58823%0.231SC*.THydrogen-bonded Turntrans-67.1-28.2-179.1-45.4-65.4000112.9F130 L135F130-D132 WeakPolarHBondContact CD1-OD1 3.28Å; F130-D132 HydrophobicContact CE1-CB 4.38Å; F130-D132 WeakPolarHBondContact CE1-OD1 3.39Å; D132-L135 VanDerWaalsContact O-CD2 3.28Å; D132-L135 WeakPolarHBondContact O-CD2 3.5Å
133R94.6Very high96.4Very high186 Ų18639.5 Ų39.570%0.70223%0.234SC*.THydrogen-bonded Turntrans-74.5-36.3-179.9-62.3-179.9-174.3-173.71.9113C131 H144C131-R133 VanDerWaalsContact C-N 3.26Å; C131-R133 PolarHBondContact O-N 3.01Å; R133-H144 WeakPolarHBondContact CD-NE2 3.47Å
134C96.1Very high96.6Very high28 Ų2839.3 Ų39.319%0.18923%0.23CC..THydrogen-bonded Turntrans-101.2-9.3-178.4-61.30000112.5C131 L136 H144C131-C134 HydrophobicContact CB-CB 4.24Å; C131-C134 PolarHBondContact O-N 2.89Å; C134-L136 HydrophobicContact CB-CD2 3.57Å; C134-L136 HydrophobicContact CB-CG 3.85Å; C134-L136 PolarHBondContact O-N 2.59Å; C134-H144 PolarHBondContact SG-ND1 3.33Å
135L96.7Very high96.9Very high32 Ų3236 Ų3617%0.16820%0.195CC..THydrogen-bonded Turntrans50.653.8-176.6-59.3172.8000112.3L89 K94 F130 C131 D132L89-L135 PolarHBondContact N-O 2.95Å; K94-L135 HydrophobicContact CD-CD1 3.6Å; K94-L135 HydrophobicContact CG-CD1 4Å; F130-L135 HydrophobicContact CZ-CD2 4.04Å; C131-L135 VanDerWaalsContact O-CA 3.29Å; C131-L135 WeakPolarHBondContact O-CA 3.42Å; C131-L135 PolarHBondContact O-N 3.24Å; D132-L135 VanDerWaalsContact O-CD2 3.28Å; D132-L135 WeakPolarHBondContact O-CD2 3.5Å
136L97.5Very high97Very high1 Ų134.6 Ų34.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-141.4150.1-179.86883.9000112P83 F87 H88 F130 C131 C134 K138 C151P83-L136 HydrophobicContact CB-CD1 4.35Å; P83-L136 HydrophobicContact CB-CD2 4.14Å; P83-L136 HydrophobicContact CG-CD1 3.94Å; P83-L136 HydrophobicContact CG-CD2 3.94Å; F87-L136 CarbonylContact O-C 3.6Å; F87-L136 WeakPolarHBondContact O-CA 3.15Å; F87-L136 VanDerWaalsContact O-CB 3.26Å; F87-L136 WeakPolarHBondContact O-CB 3.38Å; H88-L136 HydrophobicContact CB-CB 4.49Å; H88-L136 WeakPolarHBondContact NE2-CD2 3.46Å; F130-L136 WeakPolarHBondContact CD2-O 3.43Å; C131-L136 HydrophobicContact CB-CD1 4.41Å; C131-L136 HydrophobicContact CB-CG 4.36Å; C131-L136 PolarHBondContact N-O 3Å; C131-L136 PolarHBondContact O-N 3.17Å; C134-L136 HydrophobicContact CB-CD2 3.57Å; C134-L136 HydrophobicContact CB-CG 3.85Å; C134-L136 PolarHBondContact O-N 2.59Å; L136-K138 HydrophobicContact CD1-CG 4.18Å; L136-C151 HydrophobicContact CD1-CB 4.29Å; L136-C151 HydrophobicContact CD2-CB 4.09Å
137I98.3Very high97Very high3 Ų335.5 Ų35.52%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-75.8121.7166.1-65175.5000107.3F87 M113 A114 L117 V119 V128 F130 P139F87-I137 WeakPolarHBondContact CB-O 3.5Å; F87-I137 VanDerWaalsContact CD1-O 3.31Å; F87-I137 WeakPolarHBondContact CD1-O 3.25Å; F87-I137 PolarHBondContact O-N 2.91Å; M113-I137 HydrophobicContact CB-CD1 3.49Å; M113-I137 VanDerWaalsContact CB-CD1 3.49Å; A114-I137 HydrophobicContact CB-CD1 4.17Å; L117-I137 HydrophobicContact CD1-CB 4.03Å; L117-I137 HydrophobicContact CD1-CD1 3.97Å; L117-I137 HydrophobicContact CD1-CG2 4.14Å; V119-I137 HydrophobicContact CG1-CG2 4.4Å; V119-I137 HydrophobicContact CG2-CG2 4.48Å; V128-I137 HydrophobicContact CG1-CD1 4.43Å; V128-I137 HydrophobicContact CG1-CG1 4.27Å; V128-I137 HydrophobicContact CG1-CG2 3.88Å; F130-I137 HydrophobicContact CD2-CG1 4.41Å; I137-P139 VanDerWaalsContact O-CD 3.3Å; I137-P139 WeakPolarHBondContact O-CD 3.42Å
138K98.4Very high97Very high46 Ų4636.2 Ų36.220%0.218%0.184CC..PPolyproline II helixtrans-68.7123.5-178.2-64.9171.4-179.4154.60108.7R129 F130 C131 L136 C142R129-K138 HydrophobicContact CB-CB 4.1Å; R129-K138 HydrophobicContact CB-CD 4.33Å; R129-K138 WeakPolarHBondContact O-CB 3.49Å; R129-K138 PolarHBondContact O-N 2.92Å; F130-K138 WeakPolarHBondContact O-CE 3.4Å; F130-K138 PolarHBondContact O-NZ 3.34Å; C131-K138 HydrophobicContact CB-CG 4.23Å; L136-K138 HydrophobicContact CD1-CG 4.18Å; K138-C142 HydrophobicContact CB-CB 4.44Å
139P98.1Very high96.9Very high0 Ų039.1 Ų39.10%021%0.21CC..PPolyproline II helixtrans-54161.8164.3-19.828.8000111.2P83 F87 R129 I137 R141 C142 L153 H293P83-P139 HydrophobicContact CB-CG 3.96Å; P83-P139 HydrophobicContact CG-CG 3.98Å; F87-P139 HydrophobicContact CD1-CB 4.41Å; F87-P139 HydrophobicContact CD1-CG 3.71Å; F87-P139 HydrophobicContact CD2-CG 3.94Å; F87-P139 HydrophobicContact CE1-CB 3.92Å; F87-P139 HydrophobicContact CE1-CG 3.67Å; F87-P139 HydrophobicContact CE2-CG 3.9Å; F87-P139 HydrophobicContact CG-CG 3.87Å; F87-P139 HydrophobicContact CZ-CB 4Å; F87-P139 HydrophobicContact CZ-CG 3.78Å; R129-P139 PolarHBondContact NH1-O 3.4Å; I137-P139 VanDerWaalsContact O-CD 3.3Å; I137-P139 WeakPolarHBondContact O-CD 3.42Å; P139-R141 PolarHBondContact O-N 3.38Å; P139-C142 HydrophobicContact CB-CB 4.09Å; P139-C142 HydrophobicContact CG-CB 4.19Å; P139-C142 WeakPolarHBondContact O-CB 3.34Å; P139-C142 PolarHBondContact O-N 3.46Å; P139-C142 VanDerWaalsContact O-N 3.1Å; P139-L153 HydrophobicContact CB-CD2 4.27Å; P139-L153 HydrophobicContact CG-CD2 3.81Å; P139-H293 HydrophobicContact CB-CB 4.41Å
140D97.6Very high96.9Very high2 Ų238.8 Ų38.81%0.01121%0.21CC..THydrogen-bonded Turntrans-56.7142173.9-66.2-30.3000109.9Y120 T121 C142 F262 F295Y120-D140 VanDerWaalsContact CD2-OD2 3.31Å; Y120-D140 WeakPolarHBondContact CD2-OD2 3.28Å; Y120-D140 PolarHBondContact N-OD1 2.94Å; Y120-D140 PolarHBondContact N-OD2 2.64Å; T121-D140 VanDerWaalsContact CB-OD1 3.31Å; T121-D140 WeakPolarHBondContact CB-OD1 3.32Å; T121-D140 HydrophobicContact CG2-CB 4.3Å; T121-D140 WeakPolarHBondContact CG2-OD1 3.41Å; T121-D140 PolarHBondContact N-OD1 3.4Å; T121-D140 PolarHBondContact OG1-OD1 3.34Å; D140-C142 PolarHBondContact O-N 3.47Å; D140-F262 HydrophobicContact CB-CZ 4.19Å; D140-F295 HydrophobicContact CB-CD2 4.48Å; D140-F295 WeakPolarHBondContact O-CE2 3.45Å
141R98.1Very high97Very high3 Ų337.9 Ų37.91%0.01121%0.206CC..THydrogen-bonded Turntrans62.33.7-177.9-39-176.468.1170.63.3115.6P139 H143 K154 M155 N241 E246 F262 F295P139-R141 PolarHBondContact O-N 3.38Å; R141-H143 PolarHBondContact O-CD2 3.34Å; R141-K154 HydrophobicContact CB-CG 4.26Å; R141-K154 VanDerWaalsContact NH1-CE 3.26Å; R141-K154 CarbonylContact O-C 3.55Å; R141-K154 WeakPolarHBondContact O-CA 3.44Å; R141-K154 PolarHBondContact O-N 2.92Å; R141-M155 PolarHBondContact O-N 3.5Å; R141-M155 VanDerWaalsContact O-N 3.09Å; R141-N241 PolarHBondContact NH1-O 3.46Å; R141-N241 PolarHBondContact NH1-OD1 3.36Å; R141-N241 PolarHBondContact NH2-O 2.92Å; R141-E246 WeakPolarHBondContact CB-OE1 3.33Å; R141-E246 WeakPolarHBondContact CD-OE1 3.5Å; R141-E246 WeakPolarHBondContact CG-OE1 3.39Å; R141-E246 IonicContact CZ-OE1 2.83Å; R141-E246 IonicContact CZ-OE2 3.7Å; R141-E246 VanDerWaalsContact CZ-OE2 3.32Å; R141-E246 IonicContact NE-OE1 2.83Å; R141-E246 PolarHBondContact NE-OE1 3Å; R141-E246 IonicContact NE-OE2 3.42Å; R141-E246 PolarHBondContact NE-OE2 2.89Å; R141-E246 IonicContact NH2-OE1 2.82Å; R141-E246 IonicContact NH2-OE2 3.57Å; R141-E246 PolarHBondContact NH2-OE2 2.84Å; R141-F262 HydrophobicContact CG-CD2 4.18Å; R141-F262 HydrophobicContact CG-CE1 4.32Å; R141-F262 HydrophobicContact CG-CE2 3.64Å; R141-F262 HydrophobicContact CG-CZ 3.73Å; R141-F295 HydrophobicContact CB-CD2 4.39Å; R141-F295 HydrophobicContact CB-CE2 4.03Å; R141-F295 HydrophobicContact CG-CD2 3.84Å; R141-F295 HydrophobicContact CG-CE2 4Å; R141-F295 HydrophobicContact CG-CG 4.48Å
142C98.6Very high97Very high0 Ų037.7 Ų37.70%020%0.204CC..  trans-86.2135.2176-179.60000111.7R129 K138 P139 D140 V152 L153R129-C142 PolarHBondContact NH2-O 2.97Å; K138-C142 HydrophobicContact CB-CB 4.44Å; P139-C142 HydrophobicContact CB-CB 4.09Å; P139-C142 HydrophobicContact CG-CB 4.19Å; P139-C142 WeakPolarHBondContact O-CB 3.34Å; P139-C142 PolarHBondContact O-N 3.46Å; P139-C142 VanDerWaalsContact O-N 3.1Å; D140-C142 PolarHBondContact O-N 3.47Å; C142-V152 WeakPolarHBondContact CA-O 3.21Å; C142-V152 PolarHBondContact SG-O 3.35Å; C142-L153 HydrophobicContact CB-CD2 4.25Å
143H98.6Very high97.2Very high56 Ų5632.4 Ų32.426%0.25918%0.176SC..EExtended strand (participates in β ladder)trans-133.8152.8176.7-62.1-104000111.6R129 R141 C151 V152 M155 L245R129-H143 PolarHBondContact NH2-NE2 3.41Å; R141-H143 PolarHBondContact O-CD2 3.34Å; H143-C151 WeakPolarHBondContact O-CA 3.35Å; H143-V152 PolarHBondContact N-O 3.23Å; H143-V152 PolarHBondContact O-N 3.38Å; H143-M155 HydrophobicContact CB-CB 3.93Å; H143-M155 HydrophobicContact CB-CG 4.31Å; H143-M155 HydrophobicContact CB-SD 3.7Å; H143-L245 HydrophobicContact CB-CD1 3.87Å; H143-L245 VanDerWaalsContact CG-CD1 3.5Å
144H98.5Very high97.4Very high42 Ų4224.2 Ų24.219%0.19415%0.146CC..EExtended strand (participates in β ladder)trans-83.8119.4176.3-177.894.2000110C131 R133 C134C131-H144 PolarHBondContact SG-ND1 3.23Å; R133-H144 WeakPolarHBondContact CD-NE2 3.47Å; C134-H144 PolarHBondContact SG-ND1 3.33Å
145C98.1Very high97.5Very high5 Ų523.7 Ų23.73%0.03414%0.141CC..EExtended strand (participates in β ladder)trans-90.2117.1170.7-179.60000109.6V147 C148 A149 M150 V152 M155 C165C145-V147 VanDerWaalsContact C-N 3.25Å; C145-V147 PolarHBondContact O-N 3.44Å; C145-V147 PolarHBondContact SG-N 3.02Å; C145-C148 HydrophobicContact CB-CB 4Å; C145-C148 PolarHBondContact O-N 3.4Å; C145-C148 PolarHBondContact SG-N 3.01Å; C145-C148 VanDerWaalsContact SG-N 3.39Å; C145-A149 WeakPolarHBondContact O-CA 3.44Å; C145-A149 PolarHBondContact O-N 3.29Å; C145-M150 PolarHBondContact N-O 2.94Å; C145-M150 PolarHBondContact O-N 3.47Å; C145-V152 HydrophobicContact CB-CG2 4.21Å; C145-M155 HydrophobicContact CB-CE 3.81Å; C145-M155 HydrophobicContact CB-SD 3.97Å; C145-C165 VanDerWaalsContact CB-SG 3.6Å; C145-C165 PolarHBondContact SG-SG 2.81Å
146S94.5Very high97.6Very high73 Ų7322.2 Ų22.251%0.5113%0.133SC..THydrogen-bonded Turntrans-68.6-23177.759.90000113.6
147V93.3Very high97.7Very high66 Ų6624.2 Ų24.240%0.414%0.142SC..THydrogen-bonded Turntrans-77-47.4176.3-173.80000110.5C145 A149 H158C145-V147 VanDerWaalsContact C-N 3.25Å; C145-V147 PolarHBondContact O-N 3.44Å; C145-V147 PolarHBondContact SG-N 3.02Å; V147-A149 VanDerWaalsContact C-N 3.26Å; V147-A149 PolarHBondContact O-N 2.97Å; V147-H158 VanDerWaalsContact CG1-CE1 3.43Å; V147-H158 WeakPolarHBondContact CG1-CE1 3.42Å; V147-H158 WeakPolarHBondContact CG1-NE2 3.41Å
148C94.9Very high97.7Very high38 Ų3826.2 Ų26.226%0.25715%0.151SC..THydrogen-bonded Turntrans-76-15.3175.4-59.10000113C145 M150 H158 C165C145-C148 HydrophobicContact CB-CB 4Å; C145-C148 PolarHBondContact O-N 3.4Å; C145-C148 PolarHBondContact SG-N 3.01Å; C145-C148 VanDerWaalsContact SG-N 3.39Å; C148-M150 VanDerWaalsContact C-N 3.28Å; C148-M150 HydrophobicContact CB-CG 3.68Å; C148-M150 HydrophobicContact CB-SD 4.36Å; C148-M150 PolarHBondContact O-N 3.35Å; C148-H158 PolarHBondContact SG-ND1 3.01Å; C148-H158 VanDerWaalsContact SG-ND1 3.36Å; C148-C165 VanDerWaalsContact SG-SG 3.6Å
149A95.8Very high97.7Very high75 Ų7524.4 Ų24.462%0.6215%0.145SC*.THydrogen-bonded Turntrans56.437.9-176.100000113.7C145 V147C145-A149 WeakPolarHBondContact O-CA 3.44Å; C145-A149 PolarHBondContact O-N 3.29Å; V147-A149 VanDerWaalsContact C-N 3.26Å; V147-A149 PolarHBondContact O-N 2.97Å
150M97.2Very high97.6Very high23 Ų2327.6 Ų27.611%0.11317%0.165CC..EExtended strand (participates in β ladder)trans-153.7157.9-177.955.1178.3-91.300111.7P80 Q82 C145 C148 V152P80-M150 HydrophobicContact CB-CE 3.92Å; P80-M150 HydrophobicContact CG-CE 3.68Å; P80-M150 HydrophobicContact CG-SD 4.18Å; P80-M150 WeakPolarHBondContact O-CE 3.39Å; Q82-M150 HydrophobicContact CG-CB 4.43Å; Q82-M150 HydrophobicContact CG-CE 3.19Å; Q82-M150 HydrophobicContact CG-SD 4.11Å; Q82-M150 PolarHBondContact NE2-SD 3.1Å; C145-M150 PolarHBondContact N-O 2.94Å; C145-M150 PolarHBondContact O-N 3.47Å; C148-M150 VanDerWaalsContact C-N 3.28Å; C148-M150 HydrophobicContact CB-CG 3.68Å; C148-M150 HydrophobicContact CB-SD 4.36Å; C148-M150 PolarHBondContact O-N 3.35Å; M150-V152 HydrophobicContact CE-CG2 4.08Å; M150-V152 HydrophobicContact CG-CG2 4.38Å
151C98.7Very high97.7Very high1 Ų134.1 Ų34.11%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-75.8127.2167.3-76.60000110.2P83 C131 L136 H143P83-C151 WeakPolarHBondContact CD-O 3.32Å; P83-C151 HydrophobicContact CG-CB 3.91Å; C131-C151 VanDerWaalsContact SG-SG 3.63Å; L136-C151 HydrophobicContact CD1-CB 4.29Å; L136-C151 HydrophobicContact CD2-CB 4.09Å; H143-C151 WeakPolarHBondContact O-CA 3.35Å
152V98.8Very high97.7Very high1 Ų134 Ų341%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-108.7125.9-178.51780000108.6P80 C142 H143 C145 M150 M155 C165P80-V152 HydrophobicContact CB-CG1 3.82Å; P80-V152 HydrophobicContact CB-CG2 4.06Å; C142-V152 WeakPolarHBondContact CA-O 3.21Å; C142-V152 PolarHBondContact SG-O 3.35Å; H143-V152 PolarHBondContact N-O 3.23Å; H143-V152 PolarHBondContact O-N 3.38Å; C145-V152 HydrophobicContact CB-CG2 4.21Å; M150-V152 HydrophobicContact CE-CG2 4.08Å; M150-V152 HydrophobicContact CG-CG2 4.38Å; V152-M155 HydrophobicContact CB-CB 3.96Å; V152-M155 HydrophobicContact CB-CG 4.14Å; V152-M155 HydrophobicContact CB-SD 4.29Å; V152-M155 HydrophobicContact CG1-CB 4.07Å; V152-M155 HydrophobicContact CG1-CG 4.29Å; V152-C165 HydrophobicContact CG1-CB 4.36Å; V152-C165 HydrophobicContact CG2-CB 4Å
153L98.8Very high97.6Very high0 Ų035.2 Ų35.20%020%0.196CC..THydrogen-bonded Turntrans-67.1138.8175.7-63.5-176.5000110.9Q81 P83 P139 C142 M155 F168 H293Q81-L153 HydrophobicContact CB-CD1 4.01Å; Q81-L153 HydrophobicContact CB-CG 4.42Å; Q81-L153 HydrophobicContact CG-CD1 3.64Å; Q81-L153 HydrophobicContact CG-CG 4.48Å; Q81-L153 WeakPolarHBondContact O-CG 3.22Å; Q81-L153 PolarHBondContact O-N 2.83Å; P83-L153 HydrophobicContact CB-CD2 4.42Å; P83-L153 HydrophobicContact CG-CD2 3.93Å; P139-L153 HydrophobicContact CB-CD2 4.27Å; P139-L153 HydrophobicContact CG-CD2 3.81Å; C142-L153 HydrophobicContact CB-CD2 4.25Å; L153-M155 PolarHBondContact O-N 3.29Å; L153-F168 HydrophobicContact CB-CB 3.98Å; L153-F168 WeakPolarHBondContact O-CB 3.41Å; L153-F168 PolarHBondContact O-N 2.88Å; L153-H293 WeakPolarHBondContact CD1-NE2 3.36Å
154K98.6Very high97.6Very high13 Ų1333.1 Ų33.16%0.05719%0.186CC..THydrogen-bonded Turntrans41.749.2-174.9-156.3-170.6-178.5-176.60112R141 D156 G167 F168 N241 T243 F295R141-K154 HydrophobicContact CB-CG 4.26Å; R141-K154 VanDerWaalsContact NH1-CE 3.26Å; R141-K154 CarbonylContact O-C 3.55Å; R141-K154 WeakPolarHBondContact O-CA 3.44Å; R141-K154 PolarHBondContact O-N 2.92Å; K154-D156 PolarHBondContact O-N 2.8Å; K154-G167 VanDerWaalsContact O-CA 3.23Å; K154-G167 WeakPolarHBondContact O-CA 3.3Å; K154-F168 HydrophobicContact CB-CB 3.77Å; K154-F168 HydrophobicContact CB-CD2 4.37Å; K154-F168 HydrophobicContact CD-CD2 4.29Å; K154-N241 PolarHBondContact NZ-OD1 3.02Å; K154-T243 HydrophobicContact CG-CG2 3.88Å; K154-F295 HydrophobicContact CB-CE1 4.26Å; K154-F295 HydrophobicContact CB-CZ 3.8Å; K154-F295 HydrophobicContact CD-CE1 3.85Å; K154-F295 HydrophobicContact CD-CZ 4.25Å; K154-F295 HydrophobicContact CG-CE1 4.15Å; K154-F295 HydrophobicContact CG-CZ 4.06Å
155M98.8Very high97.6Very high17 Ų1731.1 Ų31.18%0.08418%0.177CC..  trans-62126.9-173.5-177.7173.6166.500109.4R141 H143 C145 V152 L153 L245R141-M155 PolarHBondContact O-N 3.5Å; R141-M155 VanDerWaalsContact O-N 3.09Å; H143-M155 HydrophobicContact CB-CB 3.93Å; H143-M155 HydrophobicContact CB-CG 4.31Å; H143-M155 HydrophobicContact CB-SD 3.7Å; C145-M155 HydrophobicContact CB-CE 3.81Å; C145-M155 HydrophobicContact CB-SD 3.97Å; V152-M155 HydrophobicContact CB-CB 3.96Å; V152-M155 HydrophobicContact CB-CG 4.14Å; V152-M155 HydrophobicContact CB-SD 4.29Å; V152-M155 HydrophobicContact CG1-CB 4.07Å; V152-M155 HydrophobicContact CG1-CG 4.29Å; L153-M155 PolarHBondContact O-N 3.29Å; M155-L245 HydrophobicContact CB-CD1 4.27Å; M155-L245 HydrophobicContact CG-CD1 4.12Å; M155-L245 HydrophobicContact SD-CD1 4.43Å
156D98.8Very high97.7Very high2 Ų230.9 Ų30.91%0.01118%0.176CC..  trans-98.3-63.1175.8-170.4-108000109.9K154 I166 Y171 H234 T243 T244K154-D156 PolarHBondContact O-N 2.8Å; D156-I166 HydrophobicContact CB-CB 4.39Å; D156-I166 HydrophobicContact CB-CG2 4.11Å; D156-I166 WeakPolarHBondContact CB-O 3.01Å; D156-I166 PolarHBondContact N-O 3.33Å; D156-Y171 HydrophobicContact CB-CD2 4.36Å; D156-Y171 HydrophobicContact CB-CE2 4.29Å; D156-H234 IonicContact OD1-CE1 2.6Å; D156-H234 PolarHBondContact OD1-CE1 3.49Å; D156-H234 VanDerWaalsContact OD1-CE1 3.24Å; D156-T243 VanDerWaalsContact OD2-CA 3.31Å; D156-T243 WeakPolarHBondContact OD2-CA 3.43Å; D156-T243 WeakPolarHBondContact OD2-CB 3.47Å; D156-T244 PolarHBondContact OD1-OG1 2.97Å; D156-T244 PolarHBondContact OD2-N 2.86Å; D156-T244 PolarHBondContact OD2-OG1 3.01Å
157H98.6Very high97.9Very high43 Ų4327.4 Ų27.420%0.19915%0.151CC..EExtended strand (participates in β ladder)trans-159.8169.717363.1-80.3000111.4C159 I166 F174H157-C159 WeakPolarHBondContact NE2-CB 3.47Å; H157-I166 PolarHBondContact N-O 3.44Å; H157-I166 PolarHBondContact O-N 3.1Å; H157-F174 AromaticContact CE1-CE1 3.77Å; H157-F174 AromaticContact CE1-CZ 3.67Å; H157-F174 AromaticContact NE2-CZ 3.9Å
158H98.4Very high98.1Very high45 Ų4525.2 Ų25.221%0.20814%0.136CC..EExtended strand (participates in β ladder)trans-92.9123.5164.1-175.185.4000108.7V147 C148 P160V147-H158 VanDerWaalsContact CG1-CE1 3.43Å; V147-H158 WeakPolarHBondContact CG1-CE1 3.42Å; V147-H158 WeakPolarHBondContact CG1-NE2 3.41Å; C148-H158 PolarHBondContact SG-ND1 3.01Å; C148-H158 VanDerWaalsContact SG-ND1 3.36Å; H158-P160 WeakPolarHBondContact O-CD 3.31Å
159C98.4Very high98.3Very high8 Ų824.8 Ų24.85%0.05413%0.134CC..EExtended strand (participates in β ladder)trans-109109.9-175.8-175.90000110.7H157 W161 V162 N163 N164 I166H157-C159 WeakPolarHBondContact NE2-CB 3.47Å; C159-W161 PolarHBondContact O-N 3.08Å; C159-V162 HydrophobicContact CB-CG2 3.65Å; C159-V162 PolarHBondContact O-N 3.3Å; C159-N163 PolarHBondContact O-N 3.42Å; C159-N163 VanDerWaalsContact O-N 3.11Å; C159-N164 PolarHBondContact N-O 3.27Å; C159-N164 PolarHBondContact O-N 3.28Å; C159-I166 HydrophobicContact CB-CD1 4.34Å; C159-I166 HydrophobicContact CB-CG1 3.87Å
160P97.5Very high98.4Very high67 Ų6721.2 Ų21.244%0.43511%0.105SC..G310 helixtrans-61.3-33178.1-23.934.7000112.9P24 H158 V162 N163P24-P160 WeakPolarHBondContact CB-O 3.49Å; P24-P160 HydrophobicContact CG-CB 4.18Å; H158-P160 WeakPolarHBondContact O-CD 3.31Å; P160-V162 PolarHBondContact O-N 2.86Å; P160-N163 PolarHBondContact O-N 3.49Å
161W98.2Very high98.5Very high138 Ų13820.7 Ų20.752%0.52310%0.101SC..G310 helixtrans-67.6-17.8-177.1-58.6108.9000114.6P24 I28 Y72 C159P24-W161 HydrophobicContact CB-CD2 4.5Å; P24-W161 HydrophobicContact CB-CE3 3.94Å; P24-W161 HydrophobicContact CB-CZ3 4.33Å; I28-W161 HydrophobicContact CD1-CE3 3.82Å; I28-W161 HydrophobicContact CD1-CZ3 3.99Å; I28-W161 HydrophobicContact CG1-CE3 3.73Å; I28-W161 HydrophobicContact CG1-CZ3 4.21Å; Y72-W161 WeakPolarHBondContact CE2-O 3.4Å; Y72-W161 PolarHBondContact OH-O 3.34Å; C159-W161 PolarHBondContact O-N 3.08Å
162V98.1Very high98.5Very high0 Ų020.8 Ų20.80%010%0.102CC..G310 helixtrans-115.13.6170.1-61.80000112.1Y72 I76 C159 P160 N164 I166Y72-V162 HydrophobicContact CD2-CG1 4.07Å; Y72-V162 HydrophobicContact CE2-CG1 3.73Å; I76-V162 HydrophobicContact CG1-CB 3.84Å; I76-V162 HydrophobicContact CG1-CG1 4.23Å; C159-V162 HydrophobicContact CB-CG2 3.65Å; C159-V162 PolarHBondContact O-N 3.3Å; P160-V162 PolarHBondContact O-N 2.86Å; V162-N164 HydrophobicContact CG2-CB 4.03Å; V162-N164 WeakPolarHBondContact O-CB 3.47Å; V162-N164 PolarHBondContact O-N 2.72Å; V162-N164 VanDerWaalsContact O-N 3.12Å; V162-I166 HydrophobicContact CG2-CD1 3.87Å
163N98Very high98.5Very high27 Ų2721 Ų2114%0.14410%0.102CC..THydrogen-bonded Turntrans45.440.6-174.4-171.931.4000112.9S21 W22 V25 C159 P160S21-N163 VanDerWaalsContact CB-OD1 3.23Å; S21-N163 WeakPolarHBondContact CB-OD1 3.47Å; S21-N163 VanDerWaalsContact O-CG 3.27Å; S21-N163 PolarHBondContact O-OD1 3.05Å; S21-N163 PolarHBondContact OG-ND2 3.02Å; S21-N163 PolarHBondContact OG-OD1 2.85Å; W22-N163 HydrophobicContact CE3-CB 4.28Å; W22-N163 WeakPolarHBondContact CZ2-ND2 3.36Å; W22-N163 HydrophobicContact CZ3-CB 4.4Å; W22-N163 PolarHBondContact NE1-ND2 3.2Å; V25-N163 HydrophobicContact CG2-CB 3.67Å; C159-N163 PolarHBondContact O-N 3.42Å; C159-N163 VanDerWaalsContact O-N 3.11Å; P160-N163 PolarHBondContact O-N 3.49Å
164N98.3Very high98.5Very high11 Ų1121.1 Ų21.16%0.05910%0.103CC..EExtended strand (participates in β ladder)trans-152.5157.7-173.1-163.213.2000111.3S75 I76 T78 P80 C159 V162 N170S75-N164 PolarHBondContact O-ND2 2.94Å; S75-N164 VanDerWaalsContact O-ND2 3.1Å; I76-N164 PolarHBondContact O-ND2 2.75Å; I76-N164 VanDerWaalsContact O-ND2 3.08Å; T78-N164 PolarHBondContact O-ND2 3.12Å; P80-N164 WeakPolarHBondContact CD-OD1 3.33Å; C159-N164 PolarHBondContact N-O 3.27Å; C159-N164 PolarHBondContact O-N 3.28Å; V162-N164 HydrophobicContact CG2-CB 4.03Å; V162-N164 WeakPolarHBondContact O-CB 3.47Å; V162-N164 PolarHBondContact O-N 2.72Å; V162-N164 VanDerWaalsContact O-N 3.12Å; N164-N170 PolarHBondContact ND2-ND2 2.99Å
165C98.6Very high98.5Very high0 Ų020.8 Ų20.80%010%0.102CC..EExtended strand (participates in β ladder)trans-80133.5170.5-112.20000110.6P80 C145 C148 V152 N170P80-C165 HydrophobicContact CB-CB 4.12Å; P80-C165 HydrophobicContact CG-CB 4.15Å; C145-C165 VanDerWaalsContact CB-SG 3.6Å; C145-C165 PolarHBondContact SG-SG 2.81Å; C148-C165 VanDerWaalsContact SG-SG 3.6Å; V152-C165 HydrophobicContact CG1-CB 4.36Å; V152-C165 HydrophobicContact CG2-CB 4Å; C165-N170 PolarHBondContact O-ND2 3.33Å; C165-N170 PolarHBondContact O-OD1 2.95Å
166I98.8Very high98.5Very high0 Ų020.2 Ų20.20%010%0.099CC..EExtended strand (participates in β ladder)trans-89.2122.8169.7-53.7-50.2000107.9D156 H157 C159 V162 N170 Y171 F174D156-I166 HydrophobicContact CB-CB 4.39Å; D156-I166 HydrophobicContact CB-CG2 4.11Å; D156-I166 WeakPolarHBondContact CB-O 3.01Å; D156-I166 PolarHBondContact N-O 3.33Å; H157-I166 PolarHBondContact N-O 3.44Å; H157-I166 PolarHBondContact O-N 3.1Å; C159-I166 HydrophobicContact CB-CD1 4.34Å; C159-I166 HydrophobicContact CB-CG1 3.87Å; V162-I166 HydrophobicContact CG2-CD1 3.87Å; I166-N170 WeakPolarHBondContact CA-OD1 3.22Å; I166-Y171 HydrophobicContact CG2-CD2 3.6Å; I166-Y171 HydrophobicContact CG2-CE2 4.34Å; I166-F174 HydrophobicContact CD1-CB 4.01Å; I166-F174 HydrophobicContact CD1-CD2 3.81Å; I166-F174 HydrophobicContact CD1-CG 4Å; I166-F174 HydrophobicContact CG1-CD2 4.01Å; I166-F174 HydrophobicContact CG1-CE2 4.39Å; I166-F174 HydrophobicContact CG1-CG 4.11Å; I166-F174 HydrophobicContact CG2-CB 4.02Å; I166-F174 HydrophobicContact CG2-CD1 4.01Å; I166-F174 HydrophobicContact CG2-CG 4Å
167G98.6Very high98.5Very high0 Ų021.1 Ų21.10%010%0.103CC..SBendtrans-162.2-156.4179.500000111.6K154 S169 N170 Y171K154-G167 VanDerWaalsContact O-CA 3.23Å; K154-G167 WeakPolarHBondContact O-CA 3.3Å; G167-S169 VanDerWaalsContact C-N 3.34Å; G167-S169 PolarHBondContact O-N 2.99Å; G167-N170 PolarHBondContact N-OD1 3.25Å; G167-N170 PolarHBondContact O-N 3.42Å; G167-N170 PolarHBondContact O-OD1 3.45Å; G167-Y171 VanDerWaalsContact O-CB 3.29Å; G167-Y171 WeakPolarHBondContact O-CB 3.21Å; G167-Y171 PolarHBondContact O-N 2.85Å
168F98.6Very high98.5Very high20 Ų2019.1 Ų19.19%0.0889%0.094CC..THydrogen-bonded Turntrans-50.3-48.1-171.6-178.7-105.2000114.2L153 K154 N170 P289 G290 F295L153-F168 HydrophobicContact CB-CB 3.98Å; L153-F168 WeakPolarHBondContact O-CB 3.41Å; L153-F168 PolarHBondContact O-N 2.88Å; K154-F168 HydrophobicContact CB-CB 3.77Å; K154-F168 HydrophobicContact CB-CD2 4.37Å; K154-F168 HydrophobicContact CD-CD2 4.29Å; F168-N170 PolarHBondContact O-N 3.47Å; F168-P289 WeakPolarHBondContact CE2-O 3.42Å; F168-P289 WeakPolarHBondContact CZ-O 3.33Å; F168-G290 WeakPolarHBondContact CZ-O 3.39Å; F168-F295 HydrophobicContact CD2-CE1 4.12Å; F168-F295 HydrophobicContact CD2-CZ 4.41Å; F168-F295 HydrophobicContact CE2-CE1 4.31Å
169S98.1Very high98.5Very high30 Ų3018.6 Ų18.621%0.2110%0.097CC..THydrogen-bonded Turntrans-73.9-20.2-171.8550000114.9T78 L79 P80 Q81 G167T78-S169 WeakPolarHBondContact CG2-O 3.3Å; L79-S169 PolarHBondContact O-OG 2.83Å; P80-S169 WeakPolarHBondContact CA-OG 3.17Å; Q81-S169 PolarHBondContact N-OG 2.89Å; G167-S169 VanDerWaalsContact C-N 3.34Å; G167-S169 PolarHBondContact O-N 2.99Å
170N98.5Very high98.5Very high0 Ų019.5 Ų19.50%010%0.1CC..THydrogen-bonded Turntrans-1330.8-172.667.7-9.9000114.9T78 N164 C165 I166 G167 F168 K172 F173 F174T78-N170 HydrophobicContact CG2-CB 4.06Å; N164-N170 PolarHBondContact ND2-ND2 2.99Å; C165-N170 PolarHBondContact O-ND2 3.33Å; C165-N170 PolarHBondContact O-OD1 2.95Å; I166-N170 WeakPolarHBondContact CA-OD1 3.22Å; G167-N170 PolarHBondContact N-OD1 3.25Å; G167-N170 PolarHBondContact O-N 3.42Å; G167-N170 PolarHBondContact O-OD1 3.45Å; F168-N170 PolarHBondContact O-N 3.47Å; N170-K172 VanDerWaalsContact C-N 3.29Å; N170-K172 PolarHBondContact O-N 3.32Å; N170-F173 HydrophobicContact CB-CD2 4.1Å; N170-F173 PolarHBondContact O-N 2.79Å; N170-F174 PolarHBondContact O-N 3.21Å
171Y98.8Very high98.6Very high12 Ų1216.5 Ų16.55%0.0478%0.08CC..Hα-helixtrans-57.1-41.8-179.9-168.1-128.7000112.6D156 I166 G167 F173 F174 L175 H234 V238 V273D156-Y171 HydrophobicContact CB-CD2 4.36Å; D156-Y171 HydrophobicContact CB-CE2 4.29Å; I166-Y171 HydrophobicContact CG2-CD2 3.6Å; I166-Y171 HydrophobicContact CG2-CE2 4.34Å; G167-Y171 VanDerWaalsContact O-CB 3.29Å; G167-Y171 WeakPolarHBondContact O-CB 3.21Å; G167-Y171 PolarHBondContact O-N 2.85Å; Y171-F173 VanDerWaalsContact C-N 3.34Å; Y171-F173 PolarHBondContact O-N 2.78Å; Y171-F174 HydrophobicContact CD2-CD1 4.42Å; Y171-F174 HydrophobicContact CE2-CD1 4.42Å; Y171-F174 WeakPolarHBondContact O-CB 3.47Å; Y171-F174 PolarHBondContact O-N 2.91Å; Y171-L175 HydrophobicContact CD1-CD1 4.15Å; Y171-L175 HydrophobicContact CE1-CD1 4.01Å; Y171-L175 HydrophobicContact CE1-CG 4.47Å; Y171-L175 HydrophobicContact CE2-CD2 4.46Å; Y171-L175 WeakPolarHBondContact O-CG 3.41Å; Y171-L175 PolarHBondContact O-N 3.42Å; Y171-H234 AromaticContact CE2-ND1 3.65Å; Y171-H234 AromaticContact CZ-ND1 3.78Å; Y171-H234 PolarHBondContact OH-ND1 2.72Å; Y171-V238 HydrophobicContact CE1-CG2 3.74Å; Y171-V273 HydrophobicContact CD1-CG1 3.99Å; Y171-V273 HydrophobicContact CD1-CG2 4.06Å; Y171-V273 HydrophobicContact CE1-CG2 4.31Å
172K98.5Very high98.6Very high2 Ų211 Ų111%0.0096%0.062CC..Hα-helixtrans-55.9-47.4173.4180-173.6171.3-173.90111.9N170 F174 L175 Q176 V273 F274 L280 I283 I285 S287N170-K172 VanDerWaalsContact C-N 3.29Å; N170-K172 PolarHBondContact O-N 3.32Å; K172-F174 VanDerWaalsContact C-N 3.31Å; K172-F174 PolarHBondContact O-N 3.5Å; K172-L175 PolarHBondContact O-N 3.03Å; K172-Q176 WeakPolarHBondContact O-CG 3.29Å; K172-Q176 PolarHBondContact O-N 3.19Å; K172-V273 HydrophobicContact CB-CG1 4.1Å; K172-F274 HydrophobicContact CD-CD1 4.26Å; K172-F274 HydrophobicContact CG-CD1 3.91Å; K172-F274 HydrophobicContact CG-CE1 4Å; K172-L280 PolarHBondContact NZ-O 2.75Å; K172-I283 PolarHBondContact NZ-O 2.84Å; K172-I285 PolarHBondContact NZ-O 2.94Å; K172-S287 PolarHBondContact NZ-OG 2.77Å
173F98.7Very high98.6Very high5 Ų514.6 Ų14.62%0.0228%0.08CC..Hα-helixtrans-66-36.8-178.9-53.9-41.7000111.6K74 S75 T78 N170 Y171 Q176 F177 P284K74-F173 HydrophobicContact CB-CB 3.96Å; K74-F173 HydrophobicContact CB-CD1 4.18Å; K74-F173 HydrophobicContact CB-CD2 3.99Å; K74-F173 HydrophobicContact CB-CG 3.77Å; K74-F173 VanDerWaalsContact CE-CZ 3.45Å; S75-F173 VanDerWaalsContact OG-C 3.25Å; S75-F173 PolarHBondContact OG-O 2.64Å; T78-F173 HydrophobicContact CG2-CD2 4.25Å; T78-F173 HydrophobicContact CG2-CE2 3.95Å; T78-F173 WeakPolarHBondContact OG1-CE2 3.43Å; N170-F173 HydrophobicContact CB-CD2 4.1Å; N170-F173 PolarHBondContact O-N 2.79Å; Y171-F173 VanDerWaalsContact C-N 3.34Å; Y171-F173 PolarHBondContact O-N 2.78Å; F173-Q176 PolarHBondContact O-N 3.42Å; F173-F177 VanDerWaalsContact O-CB 3.28Å; F173-F177 WeakPolarHBondContact O-CB 3.42Å; F173-F177 PolarHBondContact O-N 2.83Å; F173-P284 HydrophobicContact CD1-CB 4.08Å; F173-P284 HydrophobicContact CE1-CB 4.42Å; F173-P284 WeakPolarHBondContact CE1-O 3.42Å
174F98.8Very high98.6Very high3 Ų313.8 Ų13.81%0.0138%0.075CC..Hα-helixtrans-63.9-45.6174.9176.3-105.2000112S75 H157 I166 N170 Y171 K172 Q176 F177 L178 L230 H234S75-F174 PolarHBondContact OG-N 2.66Å; H157-F174 AromaticContact CE1-CE1 3.77Å; H157-F174 AromaticContact CE1-CZ 3.67Å; H157-F174 AromaticContact NE2-CZ 3.9Å; I166-F174 HydrophobicContact CD1-CB 4.01Å; I166-F174 HydrophobicContact CD1-CD2 3.81Å; I166-F174 HydrophobicContact CD1-CG 4Å; I166-F174 HydrophobicContact CG1-CD2 4.01Å; I166-F174 HydrophobicContact CG1-CE2 4.39Å; I166-F174 HydrophobicContact CG1-CG 4.11Å; I166-F174 HydrophobicContact CG2-CB 4.02Å; I166-F174 HydrophobicContact CG2-CD1 4.01Å; I166-F174 HydrophobicContact CG2-CG 4Å; N170-F174 PolarHBondContact O-N 3.21Å; Y171-F174 HydrophobicContact CD2-CD1 4.42Å; Y171-F174 HydrophobicContact CE2-CD1 4.42Å; Y171-F174 WeakPolarHBondContact O-CB 3.47Å; Y171-F174 PolarHBondContact O-N 2.91Å; K172-F174 VanDerWaalsContact C-N 3.31Å; K172-F174 PolarHBondContact O-N 3.5Å; F174-Q176 PolarHBondContact O-N 2.88Å; F174-F177 HydrophobicContact CD2-CD1 4.22Å; F174-F177 HydrophobicContact CE2-CD1 4.46Å; F174-F177 WeakPolarHBondContact O-CB 3.38Å; F174-F177 PolarHBondContact O-N 2.8Å; F174-L178 HydrophobicContact CD1-CD1 4.21Å; F174-L178 HydrophobicContact CE1-CD1 3.58Å; F174-L178 HydrophobicContact CE1-CG 4.2Å; F174-L178 HydrophobicContact CE2-CD1 4.5Å; F174-L178 HydrophobicContact CE2-CD2 4.29Å; F174-L178 HydrophobicContact CE2-CG 4.34Å; F174-L178 HydrophobicContact CZ-CD1 3.76Å; F174-L178 HydrophobicContact CZ-CD2 4.16Å; F174-L178 HydrophobicContact CZ-CG 4.07Å; F174-L178 WeakPolarHBondContact O-CG 3.43Å; F174-L178 PolarHBondContact O-N 3.49Å; F174-L230 HydrophobicContact CZ-CD2 4.47Å; F174-H234 AromaticContact CE1-CD2 3.86Å; F174-H234 AromaticContact CE1-CE1 3.89Å; F174-H234 AromaticContact CE1-NE2 3.62Å
175L98.8Very high98.7Very high6 Ų613.8 Ų13.83%0.0318%0.076CC..Hα-helixtrans-61.5-43.4175.6-67174000112.3Y171 K172 L178 A179 H234 V238 V273 F274Y171-L175 HydrophobicContact CD1-CD1 4.15Å; Y171-L175 HydrophobicContact CE1-CD1 4.01Å; Y171-L175 HydrophobicContact CE1-CG 4.47Å; Y171-L175 HydrophobicContact CE2-CD2 4.46Å; Y171-L175 WeakPolarHBondContact O-CG 3.41Å; Y171-L175 PolarHBondContact O-N 3.42Å; K172-L175 PolarHBondContact O-N 3.03Å; L175-L178 PolarHBondContact O-N 2.74Å; L175-A179 PolarHBondContact O-N 3.03Å; L175-H234 HydrophobicContact CD2-CB 3.56Å; L175-V238 HydrophobicContact CD1-CG2 3.54Å; L175-V238 HydrophobicContact CD2-CG2 4.24Å; L175-V273 HydrophobicContact CD1-CG1 3.78Å; L175-F274 HydrophobicContact CB-CZ 4.2Å; L175-F274 HydrophobicContact CD1-CE2 3.93Å; L175-F274 HydrophobicContact CD1-CZ 3.87Å
176Q98.7Very high98.6Very high6 Ų617.3 Ų17.33%0.02810%0.095CC..Hα-helixtrans-63.2-43.8175.3-70.5172.8-34.400110.8T71 K172 F173 F174 L178 A179 Y180 F274 W281 I283 P284T71-Q176 HydrophobicContact CG2-CB 3.6Å; K172-Q176 WeakPolarHBondContact O-CG 3.29Å; K172-Q176 PolarHBondContact O-N 3.19Å; F173-Q176 PolarHBondContact O-N 3.42Å; F174-Q176 PolarHBondContact O-N 2.88Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-L178 PolarHBondContact O-N 3.4Å; Q176-A179 PolarHBondContact O-N 2.69Å; Q176-Y180 HydrophobicContact CB-CD2 4.24Å; Q176-Y180 HydrophobicContact CB-CE2 4.28Å; Q176-Y180 WeakPolarHBondContact O-CD2 3.48Å; Q176-Y180 PolarHBondContact O-N 3.19Å; Q176-F274 HydrophobicContact CG-CE1 4.26Å; Q176-W281 PolarHBondContact NE2-O 3.47Å; Q176-I283 PolarHBondContact NE2-O 3.29Å; Q176-P284 VanDerWaalsContact OE1-CA 3.28Å
177F98.8Very high98.6Very high20 Ų2018.5 Ų18.59%0.08810%0.099CC..Hα-helixtrans-55.9-47.2174.7160.6-112.7000111.2F68 T71 Y72 F173 F174 S181F68-F177 HydrophobicContact CD2-CD2 4.46Å; F68-F177 HydrophobicContact CD2-CE2 4.37Å; F68-F177 HydrophobicContact CE2-CD2 4.23Å; F68-F177 AromaticContact CE2-CE2 3.71Å; F68-F177 HydrophobicContact CE2-CE2 3.71Å; F68-F177 HydrophobicContact CZ-CE2 4.24Å; T71-F177 WeakPolarHBondContact OG1-CA 3.23Å; Y72-F177 AromaticContact CD2-CD2 3.74Å; Y72-F177 HydrophobicContact CD2-CD2 3.74Å; Y72-F177 HydrophobicContact CD2-CE1 4.26Å; Y72-F177 AromaticContact CD2-CE2 3.33Å; Y72-F177 HydrophobicContact CD2-CE2 3.33Å; Y72-F177 HydrophobicContact CD2-CG 4.36Å; Y72-F177 AromaticContact CD2-CZ 3.62Å; Y72-F177 HydrophobicContact CD2-CZ 3.62Å; Y72-F177 HydrophobicContact CE2-CE2 4.06Å; Y72-F177 AromaticContact CE2-CZ 3.93Å; Y72-F177 HydrophobicContact CE2-CZ 3.93Å; Y72-F177 HydrophobicContact CG-CD2 4.15Å; Y72-F177 AromaticContact CG-CE2 3.89Å; Y72-F177 HydrophobicContact CG-CE2 3.89Å; F173-F177 VanDerWaalsContact O-CB 3.28Å; F173-F177 WeakPolarHBondContact O-CB 3.42Å; F173-F177 PolarHBondContact O-N 2.83Å; F174-F177 HydrophobicContact CD2-CD1 4.22Å; F174-F177 HydrophobicContact CE2-CD1 4.46Å; F174-F177 WeakPolarHBondContact O-CB 3.38Å; F174-F177 PolarHBondContact O-N 2.8Å; F177-S181 WeakPolarHBondContact CD2-OG 3.13Å; F177-S181 WeakPolarHBondContact CE2-OG 3.43Å; F177-S181 VanDerWaalsContact O-CB 3.25Å; F177-S181 WeakPolarHBondContact O-CB 3.39Å; F177-S181 PolarHBondContact O-N 2.87Å; F177-S181 PolarHBondContact O-OG 2.89Å
178L98.8Very high98.6Very high1 Ų118.7 Ų18.71%0.00510%0.1CC..Hα-helixtrans-59.5-48.2175-66.8-178.2000111.8F174 L175 Q176 S181 V182 L227 L230 F231F174-L178 HydrophobicContact CD1-CD1 4.21Å; F174-L178 HydrophobicContact CE1-CD1 3.58Å; F174-L178 HydrophobicContact CE1-CG 4.2Å; F174-L178 HydrophobicContact CE2-CD1 4.5Å; F174-L178 HydrophobicContact CE2-CD2 4.29Å; F174-L178 HydrophobicContact CE2-CG 4.34Å; F174-L178 HydrophobicContact CZ-CD1 3.76Å; F174-L178 HydrophobicContact CZ-CD2 4.16Å; F174-L178 HydrophobicContact CZ-CG 4.07Å; F174-L178 WeakPolarHBondContact O-CG 3.43Å; F174-L178 PolarHBondContact O-N 3.49Å; L175-L178 PolarHBondContact O-N 2.74Å; Q176-L178 VanDerWaalsContact C-N 3.33Å; Q176-L178 PolarHBondContact O-N 3.4Å; L178-S181 WeakPolarHBondContact O-CB 3.24Å; L178-S181 PolarHBondContact O-N 2.83Å; L178-V182 WeakPolarHBondContact O-CG2 3.49Å; L178-V182 PolarHBondContact O-N 2.97Å; L178-L227 HydrophobicContact CD2-CD2 3.89Å; L178-L230 HydrophobicContact CD1-CD2 4.29Å; L178-L230 HydrophobicContact CD1-CG 4Å; L178-L230 HydrophobicContact CD2-CD2 3.73Å; L178-L230 HydrophobicContact CD2-CG 4.25Å; L178-F231 HydrophobicContact CB-CB 4.2Å; L178-F231 HydrophobicContact CB-CD2 3.72Å; L178-F231 HydrophobicContact CB-CG 4.34Å; L178-F231 HydrophobicContact CD1-CD2 4.47Å
179A98.7Very high98.5Very high34 Ų3418.4 Ų18.428%0.28110%0.102SC..Hα-helixtrans-60.8-47.4-179.900000112.6L175 Q176 S181 V182 L183 F231L175-A179 PolarHBondContact O-N 3.03Å; Q176-A179 PolarHBondContact O-N 2.69Å; A179-S181 VanDerWaalsContact C-N 3.32Å; A179-S181 PolarHBondContact O-N 3.42Å; A179-V182 PolarHBondContact O-N 3.13Å; A179-L183 WeakPolarHBondContact O-CB 3.49Å; A179-L183 PolarHBondContact O-N 3.33Å; A179-F231 HydrophobicContact CB-CD2 4.43Å; A179-F231 HydrophobicContact CB-CE2 3.74Å; A179-F231 HydrophobicContact CB-CZ 3.78Å
180Y98.8Very high98.5Very high28 Ų2821 Ų2111%0.1112%0.117CC..Hα-helixtrans-70.4-27.9177.6-73.6-67.4000112.4F67 T71 Q176 L183 Y184 L282F67-Y180 HydrophobicContact CB-CD1 3.6Å; F67-Y180 HydrophobicContact CB-CD2 4.13Å; F67-Y180 HydrophobicContact CB-CE1 3.51Å; F67-Y180 HydrophobicContact CB-CE2 4.06Å; F67-Y180 HydrophobicContact CB-CG 3.92Å; F67-Y180 HydrophobicContact CD1-CE1 4.24Å; F67-Y180 HydrophobicContact CD1-CE2 4.09Å; F67-Y180 AromaticContact CD1-CZ 3.72Å; F67-Y180 HydrophobicContact CD2-CE1 4.44Å; F67-Y180 HydrophobicContact CG-CD1 4.42Å; F67-Y180 AromaticContact CG-CE1 3.83Å; F67-Y180 HydrophobicContact CG-CE1 3.83Å; F67-Y180 HydrophobicContact CG-CE2 4.38Å; F67-Y180 AromaticContact CG-CZ 3.81Å; T71-Y180 HydrophobicContact CG2-CD2 3.8Å; T71-Y180 HydrophobicContact CG2-CE2 4.08Å; Q176-Y180 HydrophobicContact CB-CD2 4.24Å; Q176-Y180 HydrophobicContact CB-CE2 4.28Å; Q176-Y180 WeakPolarHBondContact O-CD2 3.48Å; Q176-Y180 PolarHBondContact O-N 3.19Å; Y180-L183 HydrophobicContact CD1-CD2 4.33Å; Y180-Y184 WeakPolarHBondContact O-CB 3.4Å; Y180-Y184 PolarHBondContact O-N 3.21Å; Y180-L282 PolarHBondContact OH-O 3.13Å
181S98.7Very high98.3Very high4 Ų421.6 Ų21.63%0.02812%0.12CC..Hα-helixtrans-68.2-44171.8-55.90000111.5F68 F177 L178 A179 L183 Y184 C185F68-S181 WeakPolarHBondContact CD2-OG 3.4Å; F68-S181 WeakPolarHBondContact CE2-OG 3.43Å; F177-S181 WeakPolarHBondContact CD2-OG 3.13Å; F177-S181 WeakPolarHBondContact CE2-OG 3.43Å; F177-S181 VanDerWaalsContact O-CB 3.25Å; F177-S181 WeakPolarHBondContact O-CB 3.39Å; F177-S181 PolarHBondContact O-N 2.87Å; F177-S181 PolarHBondContact O-OG 2.89Å; L178-S181 WeakPolarHBondContact O-CB 3.24Å; L178-S181 PolarHBondContact O-N 2.83Å; A179-S181 VanDerWaalsContact C-N 3.32Å; A179-S181 PolarHBondContact O-N 3.42Å; S181-L183 VanDerWaalsContact C-N 3.35Å; S181-Y184 PolarHBondContact O-N 3.19Å; S181-C185 WeakPolarHBondContact O-CB 3.49Å; S181-C185 PolarHBondContact O-N 3.22Å; S181-C185 PolarHBondContact O-SG 3.46Å; S181-C185 VanDerWaalsContact O-SG 3.35Å
182V98.8Very high98.1Very high22 Ų2221 Ų2113%0.13312%0.118CC..Hα-helixtrans-58.8-48.2172.9170.30000110.2L178 A179 Y184 C185 L186 F224 L227 V228 F231L178-V182 WeakPolarHBondContact O-CG2 3.49Å; L178-V182 PolarHBondContact O-N 2.97Å; A179-V182 PolarHBondContact O-N 3.13Å; V182-Y184 PolarHBondContact O-N 2.94Å; V182-C185 PolarHBondContact O-N 2.84Å; V182-L186 VanDerWaalsContact O-CB 3.24Å; V182-L186 WeakPolarHBondContact O-CB 3.2Å; V182-L186 PolarHBondContact O-N 3.34Å; V182-F224 HydrophobicContact CG1-CD2 4.13Å; V182-F224 HydrophobicContact CG1-CE2 3.75Å; V182-L227 HydrophobicContact CG2-CB 3.71Å; V182-V228 HydrophobicContact CG1-CG2 3.74Å; V182-V228 HydrophobicContact CG2-CG2 4.02Å; V182-F231 HydrophobicContact CG2-CB 4.38Å
183L98.6Very high97.9Very high75 Ų7526.4 Ų26.439%0.39314%0.141SC..Hα-helixtrans-62.1-41.9178.6-177.360.6000112.1I64 A179 Y180 S181 L186 Y187I64-L183 HydrophobicContact CD1-CD2 4.29Å; I64-L183 HydrophobicContact CD1-CG 4.02Å; I64-L183 HydrophobicContact CG1-CD2 3.97Å; I64-L183 HydrophobicContact CG1-CG 4.17Å; I64-L183 HydrophobicContact CG2-CB 4.49Å; I64-L183 HydrophobicContact CG2-CD2 4.32Å; I64-L183 HydrophobicContact CG2-CG 4.13Å; A179-L183 WeakPolarHBondContact O-CB 3.49Å; A179-L183 PolarHBondContact O-N 3.33Å; Y180-L183 HydrophobicContact CD1-CD2 4.33Å; S181-L183 VanDerWaalsContact C-N 3.35Å; L183-L186 PolarHBondContact O-N 2.91Å; L183-Y187 WeakPolarHBondContact O-CB 3.25Å; L183-Y187 PolarHBondContact O-N 3.27Å
184Y98.7Very high97.5Very high10 Ų1028.4 Ų28.44%0.03916%0.156CC..Hα-helixtrans-62-50.3177.2-179.1-108.2000112S35 Y61 I64 F65 Y180 S181 V182 L186 Y187 I188S35-Y184 PolarHBondContact OG-OH 2.86Å; Y61-Y184 HydrophobicContact CD2-CE2 4.34Å; Y61-Y184 HydrophobicContact CE2-CD2 4.41Å; Y61-Y184 AromaticContact CE2-CE2 3.53Å; Y61-Y184 HydrophobicContact CE2-CE2 3.53Å; Y61-Y184 AromaticContact CZ-CE2 3.78Å; Y61-Y184 PolarHBondContact OH-OH 3.43Å; I64-Y184 HydrophobicContact CG2-CD2 4.11Å; F65-Y184 HydrophobicContact CB-CE2 4.38Å; F65-Y184 AromaticContact CD2-CE2 3.95Å; F65-Y184 HydrophobicContact CD2-CE2 3.95Å; Y180-Y184 WeakPolarHBondContact O-CB 3.4Å; Y180-Y184 PolarHBondContact O-N 3.21Å; S181-Y184 PolarHBondContact O-N 3.19Å; V182-Y184 PolarHBondContact O-N 2.94Å; Y184-L186 PolarHBondContact O-N 3.5Å; Y184-Y187 PolarHBondContact O-N 3.45Å; Y184-I188 HydrophobicContact CD1-CD1 3.96Å; Y184-I188 HydrophobicContact CD2-CD1 4.32Å; Y184-I188 HydrophobicContact CE1-CD1 3.48Å; Y184-I188 VanDerWaalsContact CE1-CD1 3.48Å; Y184-I188 HydrophobicContact CE2-CD1 3.89Å; Y184-I188 HydrophobicContact CG-CD1 4.36Å; Y184-I188 VanDerWaalsContact CZ-CD1 3.46Å; Y184-I188 WeakPolarHBondContact O-CG1 3.42Å; Y184-I188 PolarHBondContact O-N 3.39Å
185C98.6Very high97.1Very high11 Ų1128.4 Ų28.47%0.07416%0.156CC..Hα-helixtrans-63.6-41.9177.4-67.40000112S181 V182 I188 A189 F224S181-C185 WeakPolarHBondContact O-CB 3.49Å; S181-C185 PolarHBondContact O-N 3.22Å; S181-C185 PolarHBondContact O-SG 3.46Å; S181-C185 VanDerWaalsContact O-SG 3.35Å; V182-C185 PolarHBondContact O-N 2.84Å; C185-I188 PolarHBondContact O-N 2.6Å; C185-A189 VanDerWaalsContact O-CB 3.29Å; C185-A189 WeakPolarHBondContact O-CB 3.24Å; C185-A189 PolarHBondContact O-N 2.94Å; C185-F224 HydrophobicContact CB-CB 3.86Å; C185-F224 HydrophobicContact CB-CD2 4.34Å
186L98.4Very high96.6Very high74 Ų7429.7 Ų29.739%0.38716%0.161SC..Hα-helixtrans-62.8-44.1177.3-178.361.4000111.6V182 L183 Y184 A189 T190 F224V182-L186 VanDerWaalsContact O-CB 3.24Å; V182-L186 WeakPolarHBondContact O-CB 3.2Å; V182-L186 PolarHBondContact O-N 3.34Å; L183-L186 PolarHBondContact O-N 2.91Å; Y184-L186 PolarHBondContact O-N 3.5Å; L186-A189 PolarHBondContact O-N 3.23Å; L186-T190 HydrophobicContact CD1-CG2 3.93Å; L186-T190 HydrophobicContact CG-CG2 4.37Å; L186-T190 WeakPolarHBondContact O-CB 3.24Å; L186-T190 VanDerWaalsContact O-CG2 3.3Å; L186-T190 WeakPolarHBondContact O-CG2 3.39Å; L186-T190 PolarHBondContact O-N 2.87Å; L186-T190 PolarHBondContact O-OG1 3.35Å; L186-F224 HydrophobicContact CB-CD2 4.06Å; L186-F224 HydrophobicContact CB-CE2 3.78Å; L186-F224 HydrophobicContact CD1-CE2 3.94Å; L186-F224 HydrophobicContact CD1-CZ 4.08Å; L186-F224 HydrophobicContact CD2-CE2 4.47Å; L186-F224 HydrophobicContact CG-CE2 4.28Å
187Y98.4Very high96.2Very high26 Ų2632.3 Ų32.310%0.10217%0.174CC..Hα-helixtrans-62.4-46.3179-177.1-93.8000111.5Y39 Y57 L60 Y61 I64 L183 Y184 T190 T191Y39-Y187 HydrophobicContact CE1-CE1 4.2Å; Y39-Y187 AromaticContact CZ-CE1 3.75Å; Y39-Y187 WeakPolarHBondContact OH-CE1 3.42Å; Y57-Y187 VanDerWaalsContact CA-OH 3.22Å; Y57-Y187 WeakPolarHBondContact CA-OH 3.42Å; Y57-Y187 PolarHBondContact O-OH 3.36Å; L60-Y187 HydrophobicContact CB-CE2 3.73Å; L60-Y187 WeakPolarHBondContact CB-OH 3.28Å; L60-Y187 HydrophobicContact CD1-CE2 4.12Å; Y61-Y187 HydrophobicContact CD2-CD1 4.13Å; Y61-Y187 HydrophobicContact CD2-CE1 4.06Å; Y61-Y187 HydrophobicContact CG-CE1 4.43Å; I64-Y187 HydrophobicContact CD1-CD1 4.28Å; I64-Y187 HydrophobicContact CD1-CD2 3.71Å; I64-Y187 HydrophobicContact CD1-CE2 4.4Å; I64-Y187 HydrophobicContact CD1-CG 3.64Å; L183-Y187 WeakPolarHBondContact O-CB 3.25Å; L183-Y187 PolarHBondContact O-N 3.27Å; Y184-Y187 PolarHBondContact O-N 3.45Å; Y187-T190 PolarHBondContact O-OG1 3.35Å; Y187-T190 VanDerWaalsContact O-OG1 3.13Å; Y187-T191 HydrophobicContact CE1-CG2 4.17Å; Y187-T191 HydrophobicContact CE2-CG2 4.11Å; Y187-T191 WeakPolarHBondContact O-CB 3.14Å; Y187-T191 WeakPolarHBondContact O-CG2 3.48Å; Y187-T191 PolarHBondContact O-N 2.92Å; Y187-T191 VanDerWaalsContact O-N 3.1Å; Y187-T191 PolarHBondContact O-OG1 3.14Å
188I97.9Very high95.6Very high4 Ų435 Ų352%0.02119%0.186CC..Hα-helixtrans-60.9-51.6174.3-70.1174.2000110.2Y39 Y61 Y184 C185 T190 T191 V192 L216 A220Y39-I188 HydrophobicContact CD2-CG1 4.04Å; Y39-I188 HydrophobicContact CD2-CG2 4.44Å; Y39-I188 HydrophobicContact CE2-CG1 4.29Å; Y61-I188 HydrophobicContact CE2-CD1 4.18Å; Y61-I188 HydrophobicContact CE2-CG1 4.14Å; Y184-I188 HydrophobicContact CD1-CD1 3.96Å; Y184-I188 HydrophobicContact CD2-CD1 4.32Å; Y184-I188 HydrophobicContact CE1-CD1 3.48Å; Y184-I188 VanDerWaalsContact CE1-CD1 3.48Å; Y184-I188 HydrophobicContact CE2-CD1 3.89Å; Y184-I188 HydrophobicContact CG-CD1 4.36Å; Y184-I188 VanDerWaalsContact CZ-CD1 3.46Å; Y184-I188 WeakPolarHBondContact O-CG1 3.42Å; Y184-I188 PolarHBondContact O-N 3.39Å; C185-I188 PolarHBondContact O-N 2.6Å; I188-T190 PolarHBondContact O-N 3.48Å; I188-T191 PolarHBondContact O-N 2.96Å; I188-T191 PolarHBondContact O-OG1 3.15Å; I188-V192 HydrophobicContact CG2-CG2 3.89Å; I188-V192 WeakPolarHBondContact O-CB 3.2Å; I188-V192 WeakPolarHBondContact O-CG2 3.45Å; I188-V192 PolarHBondContact O-N 3.16Å; I188-L216 HydrophobicContact CG2-CD1 4.03Å; I188-L216 HydrophobicContact CG2-CD2 4.04Å; I188-L216 HydrophobicContact CG2-CG 3.62Å; I188-A220 HydrophobicContact CB-CB 4.15Å; I188-A220 HydrophobicContact CG2-CB 3.73Å
189A97.2Very high95Very high14 Ų1438 Ų3812%0.11620%0.198CC..Hα-helixtrans-59.4-46.5-176.100000112C185 L186 F193 L217 A220C185-A189 VanDerWaalsContact O-CB 3.29Å; C185-A189 WeakPolarHBondContact O-CB 3.24Å; C185-A189 PolarHBondContact O-N 2.94Å; L186-A189 PolarHBondContact O-N 3.23Å; A189-F193 WeakPolarHBondContact O-CB 3.2Å; A189-F193 PolarHBondContact O-N 3.42Å; A189-L217 HydrophobicContact CB-CD1 4.12Å; A189-A220 HydrophobicContact CB-CB 4.41Å
190T96.6Very high94.4Very high85 Ų8544.4 Ų44.452%0.52122%0.215SC..Hα-helixtrans-66.8-44.2-178.752.30000112.7L186 Y187 I188L186-T190 HydrophobicContact CD1-CG2 3.93Å; L186-T190 HydrophobicContact CG-CG2 4.37Å; L186-T190 WeakPolarHBondContact O-CB 3.24Å; L186-T190 VanDerWaalsContact O-CG2 3.3Å; L186-T190 WeakPolarHBondContact O-CG2 3.39Å; L186-T190 PolarHBondContact O-N 2.87Å; L186-T190 PolarHBondContact O-OG1 3.35Å; Y187-T190 PolarHBondContact O-OG1 3.35Å; Y187-T190 VanDerWaalsContact O-OG1 3.13Å; I188-T190 PolarHBondContact O-N 3.48Å
191T95.6Very high93.9Very high11 Ų1151.4 Ų51.47%0.06724%0.241CC..Hα-helixtrans-71.9-37.2179.1540000112.3Y39 Y57 Y187 I188 S194 Y195Y39-T191 VanDerWaalsContact CE2-OG1 3.24Å; Y39-T191 WeakPolarHBondContact CE2-OG1 3.48Å; Y39-T191 WeakPolarHBondContact OH-CB 3.49Å; Y39-T191 PolarHBondContact OH-OG1 3.42Å; Y57-T191 HydrophobicContact CD1-CG2 4.42Å; Y57-T191 HydrophobicContact CD2-CG2 4.33Å; Y57-T191 HydrophobicContact CE1-CG2 4.08Å; Y57-T191 HydrophobicContact CE2-CG2 3.98Å; Y187-T191 HydrophobicContact CE1-CG2 4.17Å; Y187-T191 HydrophobicContact CE2-CG2 4.11Å; Y187-T191 WeakPolarHBondContact O-CB 3.14Å; Y187-T191 WeakPolarHBondContact O-CG2 3.48Å; Y187-T191 PolarHBondContact O-N 2.92Å; Y187-T191 VanDerWaalsContact O-N 3.1Å; Y187-T191 PolarHBondContact O-OG1 3.14Å; I188-T191 PolarHBondContact O-N 2.96Å; I188-T191 PolarHBondContact O-OG1 3.15Å; T191-S194 PolarHBondContact O-OG 3.22Å; T191-Y195 VanDerWaalsContact O-CD2 3.31Å; T191-Y195 WeakPolarHBondContact O-CD2 3.44Å
192V94.7Very high93.2Very high0 Ų053.9 Ų53.90%027%0.267CS..Hα-helixtrans-73.2-30.2177.91760000112Y39 L43 I188 S194 Y195 F196 V213 L216 L217Y39-V192 HydrophobicContact CD2-CG2 4.32Å; Y39-V192 HydrophobicContact CE2-CG2 4.25Å; L43-V192 HydrophobicContact CD2-CG2 3.83Å; I188-V192 HydrophobicContact CG2-CG2 3.89Å; I188-V192 WeakPolarHBondContact O-CB 3.2Å; I188-V192 WeakPolarHBondContact O-CG2 3.45Å; I188-V192 PolarHBondContact O-N 3.16Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 3.34Å; V192-Y195 CarbonylContact O-C 3.56Å; V192-Y195 WeakPolarHBondContact O-CA 3.14Å; V192-Y195 PolarHBondContact O-N 2.85Å; V192-F196 PolarHBondContact O-N 3.41Å; V192-V213 HydrophobicContact CG1-CG1 3.92Å; V192-V213 WeakPolarHBondContact CG1-O 3.22Å; V192-L216 HydrophobicContact CG2-CD2 3.89Å; V192-L216 HydrophobicContact CG2-CG 4.36Å; V192-L217 HydrophobicContact CG1-CB 3.9Å
193F93.7Very high92.5Very high116 Ų11658.1 Ų58.151%0.50929%0.285SS..Hα-helixtrans-57-41.1-174.8-173.3-106000113.1A189 Y195 F196 I197 L217A189-F193 WeakPolarHBondContact O-CB 3.2Å; A189-F193 PolarHBondContact O-N 3.42Å; F193-Y195 VanDerWaalsContact C-N 3.29Å; F193-Y195 PolarHBondContact O-N 3.06Å; F193-F196 WeakPolarHBondContact O-CB 3.4Å; F193-F196 PolarHBondContact O-N 3.47Å; F193-I197 HydrophobicContact CE1-CD1 4.48Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.22Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 WeakPolarHBondContact O-CG1 3.36Å; F193-I197 PolarHBondContact O-N 2.93Å; F193-L217 HydrophobicContact CD2-CD2 4.41Å
194S90.1Very high91.5Very high46 Ų4655 Ų5532%0.32227%0.269SS..Hα-helixtrans-62.3-37.3176.964.40000112.2T191 V192 I197 K198T191-S194 PolarHBondContact O-OG 3.22Å; V192-S194 VanDerWaalsContact C-N 3.31Å; V192-S194 PolarHBondContact O-N 3.34Å; S194-I197 PolarHBondContact O-N 2.92Å; S194-K198 WeakPolarHBondContact O-CG 3.45Å; S194-K198 PolarHBondContact O-N 3.01Å
195Y89.8Confident90.1Very high4 Ų459.2 Ų59.22%0.01630%0.298CS..Hα-helixtrans-77-30.1177-67.9-88.8000112.8L43 T47 V48 E53 Y57 T191 V192 F193 I197 K198 Y199 L204L43-Y195 HydrophobicContact CD1-CD1 3.96Å; L43-Y195 HydrophobicContact CD1-CD2 3.79Å; L43-Y195 HydrophobicContact CD1-CE1 4.48Å; L43-Y195 HydrophobicContact CD1-CE2 4.37Å; L43-Y195 HydrophobicContact CD1-CG 3.58Å; T47-Y195 HydrophobicContact CG2-CD1 3.57Å; T47-Y195 HydrophobicContact CG2-CE1 3.98Å; V48-Y195 HydrophobicContact CG2-CE1 4.09Å; V48-Y195 HydrophobicContact CG2-CE2 4.27Å; V48-Y195 WeakPolarHBondContact CG2-OH 3.46Å; E53-Y195 PolarHBondContact OE1-OH 3.03Å; E53-Y195 PolarHBondContact OE2-OH 2.87Å; Y57-Y195 AromaticContact CE2-CE2 3.99Å; Y57-Y195 HydrophobicContact CE2-CE2 3.99Å; T191-Y195 VanDerWaalsContact O-CD2 3.31Å; T191-Y195 WeakPolarHBondContact O-CD2 3.44Å; V192-Y195 CarbonylContact O-C 3.56Å; V192-Y195 WeakPolarHBondContact O-CA 3.14Å; V192-Y195 PolarHBondContact O-N 2.85Å; F193-Y195 VanDerWaalsContact C-N 3.29Å; F193-Y195 PolarHBondContact O-N 3.06Å; Y195-I197 VanDerWaalsContact C-N 3.33Å; Y195-K198 HydrophobicContact CD1-CD 4.31Å; Y195-K198 PolarHBondContact O-N 3.29Å; Y195-Y199 PolarHBondContact O-N 3.39Å; Y195-L204 HydrophobicContact CD1-CD2 4.37Å
196F89Confident88.9Confident33 Ų3360 Ų6015%0.14530%0.303CS..Hα-helixtrans-63.1-39.1168.9174.3-93000111.3V192 F193 Y199 W200 L214 L217V192-F196 PolarHBondContact O-N 3.41Å; F193-F196 WeakPolarHBondContact O-CB 3.4Å; F193-F196 PolarHBondContact O-N 3.47Å; F196-Y199 VanDerWaalsContact O-CB 3.29Å; F196-Y199 WeakPolarHBondContact O-CB 3.4Å; F196-Y199 PolarHBondContact O-N 3.33Å; F196-W200 AromaticContact CD1-CD1 3.83Å; F196-W200 AromaticContact CD1-NE1 3.93Å; F196-W200 AromaticContact CD2-NE1 3.82Å; F196-W200 AromaticContact CE1-CD1 3.55Å; F196-W200 AromaticContact CE1-NE1 3.33Å; F196-W200 VanDerWaalsContact CE1-NE1 3.33Å; F196-W200 AromaticContact CE2-NE1 3.2Å; F196-W200 AromaticContact CZ-CD1 3.69Å; F196-W200 AromaticContact CZ-CE2 4Å; F196-W200 HydrophobicContact CZ-CZ2 4.5Å; F196-W200 AromaticContact CZ-NE1 2.95Å; F196-W200 PolarHBondContact O-N 3.42Å; F196-L214 HydrophobicContact CD2-CD1 3.88Å; F196-L214 HydrophobicContact CE2-CD1 3.44Å; F196-L214 VanDerWaalsContact CE2-CD1 3.44Å; F196-L217 HydrophobicContact CB-CD2 3.84Å; F196-L217 HydrophobicContact CD1-CD2 3.99Å; F196-L217 HydrophobicContact CD2-CD2 3.58Å; F196-L217 HydrophobicContact CE1-CD2 4.4Å; F196-L217 HydrophobicContact CE2-CD2 4.01Å; F196-L217 HydrophobicContact CG-CD2 3.54Å; F196-L217 HydrophobicContact CZ-CD2 4.37Å
197I89.7Confident87.4Confident60 Ų6061.3 Ų61.331%0.30831%0.314SS..Hα-helixtrans-64.5-43.7172.5-61.3-57.5000111.2F193 S194 Y195 Y199 W200 R201F193-I197 HydrophobicContact CE1-CD1 4.48Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.22Å; F193-I197 HydrophobicContact CZ-CG1 4.48Å; F193-I197 WeakPolarHBondContact O-CG1 3.36Å; F193-I197 PolarHBondContact O-N 2.93Å; S194-I197 PolarHBondContact O-N 2.92Å; Y195-I197 VanDerWaalsContact C-N 3.33Å; I197-Y199 VanDerWaalsContact C-N 3.25Å; I197-Y199 PolarHBondContact O-N 2.87Å; I197-W200 PolarHBondContact O-N 3.08Å; I197-R201 WeakPolarHBondContact O-CG 3.4Å; I197-R201 PolarHBondContact O-N 3.33Å; I197-R201 VanDerWaalsContact O-N 3.12Å
198K87.9Confident86.2Confident77 Ų7768.4 Ų68.434%0.33534%0.341SS..Hα-helixtrans-60.3-34.5174.8-67.7-179.9-176.3176.70112.6S194 Y195 R201 G202 E203 L204S194-K198 WeakPolarHBondContact O-CG 3.45Å; S194-K198 PolarHBondContact O-N 3.01Å; Y195-K198 HydrophobicContact CD1-CD 4.31Å; Y195-K198 PolarHBondContact O-N 3.29Å; K198-R201 PolarHBondContact O-N 3.37Å; K198-G202 PolarHBondContact O-N 3.42Å; K198-E203 HydrophobicContact CB-CB 4.25Å; K198-E203 PolarHBondContact O-N 2.85Å; K198-L204 HydrophobicContact CB-CD2 3.95Å; K198-L204 HydrophobicContact CB-CG 4.26Å
199Y85.6Confident84.9Confident64 Ų6468.3 Ų68.325%0.25134%0.34SS..Hα-helixtrans-57.8-52.5173.8169.3-108.6000111.4Y195 F196 I197 R201 G202 L204 K210Y195-Y199 PolarHBondContact O-N 3.39Å; F196-Y199 VanDerWaalsContact O-CB 3.29Å; F196-Y199 WeakPolarHBondContact O-CB 3.4Å; F196-Y199 PolarHBondContact O-N 3.33Å; I197-Y199 VanDerWaalsContact C-N 3.25Å; I197-Y199 PolarHBondContact O-N 2.87Å; Y199-R201 PolarHBondContact O-N 3.34Å; Y199-G202 PolarHBondContact O-N 2.97Å; Y199-L204 HydrophobicContact CD2-CD1 4.14Å; Y199-L204 HydrophobicContact CG-CD1 4.31Å; Y199-K210 HydrophobicContact CD2-CB 3.76Å; Y199-K210 HydrophobicContact CD2-CD 3.9Å; Y199-K210 HydrophobicContact CD2-CG 3.56Å; Y199-K210 HydrophobicContact CE2-CB 3.51Å; Y199-K210 HydrophobicContact CE2-CD 3.71Å; Y199-K210 HydrophobicContact CE2-CG 3.64Å
200W85.4Confident83.9Confident169 Ų16970.1 Ų70.164%0.6435%0.346SS*.Hα-helixtrans-67.5-24.7-178.9-72.7108.1000113.6F196 I197 G202F196-W200 AromaticContact CD1-CD1 3.83Å; F196-W200 AromaticContact CD1-NE1 3.93Å; F196-W200 AromaticContact CD2-NE1 3.82Å; F196-W200 AromaticContact CE1-CD1 3.55Å; F196-W200 AromaticContact CE1-NE1 3.33Å; F196-W200 VanDerWaalsContact CE1-NE1 3.33Å; F196-W200 AromaticContact CE2-NE1 3.2Å; F196-W200 AromaticContact CZ-CD1 3.69Å; F196-W200 AromaticContact CZ-CE2 4Å; F196-W200 HydrophobicContact CZ-CZ2 4.5Å; F196-W200 AromaticContact CZ-NE1 2.95Å; F196-W200 PolarHBondContact O-N 3.42Å; I197-W200 PolarHBondContact O-N 3.08Å; W200-G202 VanDerWaalsContact C-N 3.28Å
201R88.4Confident83.2Confident175 Ų17573 Ų7366%0.6635%0.351SS*.THydrogen-bonded Turntrans-80.6-5.8172.7-65.9179.5-177-168.9-0.4113.9I197 K198 Y199 E203I197-R201 WeakPolarHBondContact O-CG 3.4Å; I197-R201 PolarHBondContact O-N 3.33Å; I197-R201 VanDerWaalsContact O-N 3.12Å; K198-R201 PolarHBondContact O-N 3.37Å; Y199-R201 PolarHBondContact O-N 3.34Å; R201-E203 VanDerWaalsContact C-N 3.28Å; R201-E203 HydrophobicContact CB-CG 3.87Å; R201-E203 WeakPolarHBondContact CB-OE1 3.29Å; R201-E203 VanDerWaalsContact CD-OE1 3.25Å; R201-E203 WeakPolarHBondContact CD-OE1 3.43Å; R201-E203 PolarHBondContact O-N 3.41Å
202G83.5Confident82.7Confident55 Ų5574.3 Ų74.357%0.56736%0.356SS*.THydrogen-bonded Turntrans75.714.5-177.400000114.3K198 Y199 W200K198-G202 PolarHBondContact O-N 3.42Å; Y199-G202 PolarHBondContact O-N 2.97Å; W200-G202 VanDerWaalsContact C-N 3.28Å
203E83.8Confident82Confident111 Ų11174.3 Ų74.352%0.51936%0.357SS..  trans-88.2-2.7-174.2-63.9169.9-163.500113.1K198 R201K198-E203 HydrophobicContact CB-CB 4.25Å; K198-E203 PolarHBondContact O-N 2.85Å; R201-E203 VanDerWaalsContact C-N 3.28Å; R201-E203 HydrophobicContact CB-CG 3.87Å; R201-E203 WeakPolarHBondContact CB-OE1 3.29Å; R201-E203 VanDerWaalsContact CD-OE1 3.25Å; R201-E203 WeakPolarHBondContact CD-OE1 3.43Å; R201-E203 PolarHBondContact O-N 3.41Å
204L78.2Confident81.6Confident10 Ų1070.7 Ų70.75%0.05234%0.342CS..  trans-83.7128.1-179.5-71.5-171.6000112.7T47 Y195 K198 Y199 K210T47-L204 HydrophobicContact CG2-CD2 3.56Å; Y195-L204 HydrophobicContact CD1-CD2 4.37Å; K198-L204 HydrophobicContact CB-CD2 3.95Å; K198-L204 HydrophobicContact CB-CG 4.26Å; Y199-L204 HydrophobicContact CD2-CD1 4.14Å; Y199-L204 HydrophobicContact CG-CD1 4.31Å; L204-K210 HydrophobicContact CB-CG 4.36Å; L204-K210 HydrophobicContact CD1-CG 4.28Å; L204-K210 VanDerWaalsContact O-CE 3.32Å; L204-K210 WeakPolarHBondContact O-CE 3.39Å
205P69.8Low81.7Confident98 Ų9874.1 Ų74.164%0.63635%0.352SS*.SBendtrans-74.5-27.8-16926.9-34.1000115.1
206S72.4Confident81.9Confident28 Ų2874 Ų7420%0.19635%0.352CS..  trans-115.1142.4-172.965.30000112.1S209 K210S206-S209 WeakPolarHBondContact OG-CB 3.36Å; S206-S209 PolarHBondContact OG-OG 3.3Å; S206-K210 VanDerWaalsContact O-CE 3.24Å; S206-K210 WeakPolarHBondContact O-CE 3.35Å; S206-K210 WeakPolarHBondContact O-CG 3.41Å
207V68.3Low82.1Confident101 Ų10173.1 Ų73.161%0.61235%0.348SS*.Hα-helixtrans-77.5-35.9177.6179.60000112.3K210 F211V207-K210 WeakPolarHBondContact O-CB 3.37Å; V207-K210 PolarHBondContact O-N 2.79Å; V207-F211 HydrophobicContact CG1-CE2 4.37Å
208R71.9Confident82.4Confident175 Ų17576 Ų7666%0.6636%0.359SS*.Hα-helixtrans-64.9-45.5179.6-176.1179.7-66171-0.1112.1E42 K210 F211 H212E42-R208 WeakPolarHBondContact OE1-CD 3.24Å; R208-K210 PolarHBondContact O-N 3.49Å; R208-F211 PolarHBondContact O-N 3.28Å; R208-H212 PolarHBondContact O-CD2 3.03Å
209S70.9Confident82.8Confident2 Ų273.3 Ų73.31%0.01435%0.348CS..Hα-helixtrans-68-20.9-177.7-40.60000112E42 S206 F211 H212 V213E42-S209 WeakPolarHBondContact OE2-CA 3.42Å; E42-S209 WeakPolarHBondContact OE2-CB 3.42Å; E42-S209 PolarHBondContact OE2-OG 2.84Å; S206-S209 WeakPolarHBondContact OG-CB 3.36Å; S206-S209 PolarHBondContact OG-OG 3.3Å; S209-F211 PolarHBondContact O-N 3.49Å; S209-H212 PolarHBondContact O-N 3.03Å; S209-V213 VanDerWaalsContact O-CB 3.32Å; S209-V213 WeakPolarHBondContact O-CB 3.34Å; S209-V213 WeakPolarHBondContact O-CG2 3.38Å; S209-V213 PolarHBondContact O-N 3.34Å
210K75.9Confident83.4Confident52 Ų5270.5 Ų70.523%0.22634%0.339CS..Hα-helixtrans-59.3-46173.9-67.2174.7-170.7-1710112.9Y199 L204 S206 V207 R208 L214Y199-K210 HydrophobicContact CD2-CB 3.76Å; Y199-K210 HydrophobicContact CD2-CD 3.9Å; Y199-K210 HydrophobicContact CD2-CG 3.56Å; Y199-K210 HydrophobicContact CE2-CB 3.51Å; Y199-K210 HydrophobicContact CE2-CD 3.71Å; Y199-K210 HydrophobicContact CE2-CG 3.64Å; L204-K210 HydrophobicContact CB-CG 4.36Å; L204-K210 HydrophobicContact CD1-CG 4.28Å; L204-K210 VanDerWaalsContact O-CE 3.32Å; L204-K210 WeakPolarHBondContact O-CE 3.39Å; S206-K210 VanDerWaalsContact O-CE 3.24Å; S206-K210 WeakPolarHBondContact O-CE 3.35Å; S206-K210 WeakPolarHBondContact O-CG 3.41Å; V207-K210 WeakPolarHBondContact O-CB 3.37Å; V207-K210 PolarHBondContact O-N 2.79Å; R208-K210 PolarHBondContact O-N 3.49Å; K210-L214 WeakPolarHBondContact O-CB 3.45Å; K210-L214 PolarHBondContact O-N 2.84Å; K210-L214 VanDerWaalsContact O-N 3.09Å
211F82.1Confident83.9Confident145 Ų14565 Ų6564%0.63633%0.325SS*.Hα-helixtrans-67.3-41.8-180-72-76.7000112V207 R208 S209 F215V207-F211 HydrophobicContact CG1-CE2 4.37Å; R208-F211 PolarHBondContact O-N 3.28Å; S209-F211 PolarHBondContact O-N 3.49Å; F211-F215 WeakPolarHBondContact O-CB 3.39Å; F211-F215 PolarHBondContact O-N 3.39Å
212H85.1Confident84.4Confident39 Ų3961.8 Ų61.818%0.18132%0.319CS..Hα-helixtrans-65.9-47178.5-74.2-76.1000111.8W34 Y37 A38 E42 R208 S209 L214 F215 L216W34-H212 AromaticContact NE1-CE1 3.69Å; W34-H212 AromaticContact NE1-ND1 3.39Å; W34-H212 PolarHBondContact NE1-ND1 3.47Å; Y37-H212 AromaticContact CE1-CE1 3.78Å; Y37-H212 AromaticContact CE1-NE2 3.97Å; A38-H212 HydrophobicContact CB-CB 4.09Å; E42-H212 HydrophobicContact CB-CB 4.1Å; E42-H212 HydrophobicContact CG-CB 4.13Å; R208-H212 PolarHBondContact O-CD2 3.03Å; S209-H212 PolarHBondContact O-N 3.03Å; H212-L214 VanDerWaalsContact C-N 3.34Å; H212-L214 PolarHBondContact O-N 2.89Å; H212-F215 PolarHBondContact O-N 3.19Å; H212-L216 WeakPolarHBondContact O-CB 3.35Å; H212-L216 PolarHBondContact O-N 2.96Å
213V80.5Confident85Confident1 Ų162 Ų621%0.00630%0.304CS..Hα-helixtrans-58.9-44.7177.7167.20000111.3L43 V192 S209 L217L43-V213 HydrophobicContact CD1-CG2 4.07Å; V192-V213 HydrophobicContact CG1-CG1 3.92Å; V192-V213 WeakPolarHBondContact CG1-O 3.22Å; S209-V213 VanDerWaalsContact O-CB 3.32Å; S209-V213 WeakPolarHBondContact O-CB 3.34Å; S209-V213 WeakPolarHBondContact O-CG2 3.38Å; S209-V213 PolarHBondContact O-N 3.34Å; V213-L217 PolarHBondContact O-N 3.26Å
214L85.5Confident85.7Confident40 Ų4059.5 Ų59.521%0.20929%0.292CS..Hα-helixtrans-62.4-54.4178.6-176.164.1000111.9F196 K210 H212 L216 L217 F218F196-L214 HydrophobicContact CD2-CD1 3.88Å; F196-L214 HydrophobicContact CE2-CD1 3.44Å; F196-L214 VanDerWaalsContact CE2-CD1 3.44Å; K210-L214 WeakPolarHBondContact O-CB 3.45Å; K210-L214 PolarHBondContact O-N 2.84Å; K210-L214 VanDerWaalsContact O-N 3.09Å; H212-L214 VanDerWaalsContact C-N 3.34Å; H212-L214 PolarHBondContact O-N 2.89Å; L214-L216 VanDerWaalsContact C-N 3.3Å; L214-L216 PolarHBondContact O-N 3.45Å; L214-L217 PolarHBondContact O-N 3.47Å; L214-F218 HydrophobicContact CD1-CD2 4.04Å; L214-F218 HydrophobicContact CD1-CE2 3.35Å; L214-F218 HydrophobicContact CD1-CZ 4.2Å; L214-F218 HydrophobicContact CD2-CE2 4.4Å; L214-F218 HydrophobicContact CG-CD2 4.01Å; L214-F218 HydrophobicContact CG-CE2 3.66Å; L214-F218 WeakPolarHBondContact O-CD2 3.39Å; L214-F218 PolarHBondContact O-N 3.27Å
215F91.4Very high86.7Confident117 Ų11763.2 Ų63.251%0.51332%0.315SS..Hα-helixtrans-66.7-34.5-176.8-169.1-126.9000111.6W34 F211 H212 L217 F218 V219W34-F215 AromaticContact CE2-CD1 3.97Å; W34-F215 HydrophobicContact CE3-CE1 4.44Å; W34-F215 HydrophobicContact CH2-CB 4.08Å; W34-F215 AromaticContact CH2-CD1 3.12Å; W34-F215 HydrophobicContact CH2-CD1 3.12Å; W34-F215 AromaticContact CH2-CE1 3.71Å; W34-F215 HydrophobicContact CH2-CE1 3.71Å; W34-F215 AromaticContact CH2-CG 3.87Å; W34-F215 HydrophobicContact CH2-CG 3.87Å; W34-F215 HydrophobicContact CZ2-CB 4.12Å; W34-F215 AromaticContact CZ2-CD1 3.24Å; W34-F215 HydrophobicContact CZ2-CD1 3.24Å; W34-F215 HydrophobicContact CZ2-CE1 4.01Å; W34-F215 HydrophobicContact CZ2-CG 4.1Å; W34-F215 AromaticContact CZ3-CD1 3.84Å; W34-F215 HydrophobicContact CZ3-CD1 3.84Å; W34-F215 AromaticContact CZ3-CE1 3.94Å; W34-F215 HydrophobicContact CZ3-CE1 3.94Å; F211-F215 WeakPolarHBondContact O-CB 3.39Å; F211-F215 PolarHBondContact O-N 3.39Å; H212-F215 PolarHBondContact O-N 3.19Å; F215-L217 PolarHBondContact O-N 3.47Å; F215-F218 PolarHBondContact O-N 2.85Å; F215-V219 HydrophobicContact CD1-CG2 4.14Å; F215-V219 HydrophobicContact CD2-CG2 4Å; F215-V219 HydrophobicContact CE1-CG2 3.76Å; F215-V219 HydrophobicContact CE2-CG2 3.66Å; F215-V219 HydrophobicContact CG-CG2 4.21Å; F215-V219 HydrophobicContact CZ-CG2 3.5Å; F215-V219 WeakPolarHBondContact O-CB 3.46Å; F215-V219 VanDerWaalsContact O-CG2 3.28Å; F215-V219 WeakPolarHBondContact O-CG2 3.35Å; F215-V219 PolarHBondContact O-N 3.32Å
216L93.6Very high88Confident3 Ų362.1 Ų62.12%0.01631%0.309CS..Hα-helixtrans-62.4-42.3178-17264.1000111.9W34 A38 Y39 I188 V192 H212 L214 A220W34-L216 HydrophobicContact CH2-CB 4.18Å; W34-L216 HydrophobicContact CH2-CD1 4.16Å; W34-L216 HydrophobicContact CZ3-CD1 4.23Å; A38-L216 HydrophobicContact CB-CD1 4.32Å; A38-L216 HydrophobicContact CB-CD2 4.15Å; Y39-L216 HydrophobicContact CD2-CD2 4.01Å; I188-L216 HydrophobicContact CG2-CD1 4.03Å; I188-L216 HydrophobicContact CG2-CD2 4.04Å; I188-L216 HydrophobicContact CG2-CG 3.62Å; V192-L216 HydrophobicContact CG2-CD2 3.89Å; V192-L216 HydrophobicContact CG2-CG 4.36Å; H212-L216 WeakPolarHBondContact O-CB 3.35Å; H212-L216 PolarHBondContact O-N 2.96Å; L214-L216 VanDerWaalsContact C-N 3.3Å; L214-L216 PolarHBondContact O-N 3.45Å; L216-A220 WeakPolarHBondContact O-CB 3.02Å; L216-A220 PolarHBondContact O-N 2.74Å
217L94.8Very high89.2Confident13 Ų1361.9 Ų61.97%0.06831%0.306CS..Hα-helixtrans-63.1-48.7175-178.262.1000111.7A189 V192 F193 F196 V213 L214 F215 A220 C221A189-L217 HydrophobicContact CB-CD1 4.12Å; V192-L217 HydrophobicContact CG1-CB 3.9Å; F193-L217 HydrophobicContact CD2-CD2 4.41Å; F196-L217 HydrophobicContact CB-CD2 3.84Å; F196-L217 HydrophobicContact CD1-CD2 3.99Å; F196-L217 HydrophobicContact CD2-CD2 3.58Å; F196-L217 HydrophobicContact CE1-CD2 4.4Å; F196-L217 HydrophobicContact CE2-CD2 4.01Å; F196-L217 HydrophobicContact CG-CD2 3.54Å; F196-L217 HydrophobicContact CZ-CD2 4.37Å; V213-L217 PolarHBondContact O-N 3.26Å; L214-L217 PolarHBondContact O-N 3.47Å; F215-L217 PolarHBondContact O-N 3.47Å; L217-A220 PolarHBondContact O-N 2.71Å; L217-C221 WeakPolarHBondContact O-CB 3.16Å; L217-C221 PolarHBondContact O-N 2.94Å; L217-C221 PolarHBondContact O-SG 3.42Å; L217-C221 VanDerWaalsContact O-SG 3.35Å
218F95.1Very high90.7Very high122 Ų12259.8 Ų59.854%0.53529%0.293SS..Hα-helixtrans-62.1-46.5-178.9-75.5-62.7000112.5L214 F215 C221 M222L214-F218 HydrophobicContact CD1-CD2 4.04Å; L214-F218 HydrophobicContact CD1-CE2 3.35Å; L214-F218 HydrophobicContact CD1-CZ 4.2Å; L214-F218 HydrophobicContact CD2-CE2 4.4Å; L214-F218 HydrophobicContact CG-CD2 4.01Å; L214-F218 HydrophobicContact CG-CE2 3.66Å; L214-F218 WeakPolarHBondContact O-CD2 3.39Å; L214-F218 PolarHBondContact O-N 3.27Å; F215-F218 PolarHBondContact O-N 2.85Å; F218-C221 PolarHBondContact O-N 2.93Å; F218-M222 WeakPolarHBondContact O-CB 3.5Å; F218-M222 PolarHBondContact O-N 3.44Å
219V96.4Very high91.9Very high19 Ų1957.1 Ų57.112%0.11529%0.291CS..Hα-helixtrans-62.9-44.1177.7173.20000110.5V31 W34 F215 M222 F223V31-V219 HydrophobicContact CG1-CG1 4.03Å; W34-V219 HydrophobicContact CH2-CG2 4.4Å; W34-V219 HydrophobicContact CZ3-CB 4.27Å; W34-V219 HydrophobicContact CZ3-CG1 4.33Å; W34-V219 HydrophobicContact CZ3-CG2 4.14Å; F215-V219 HydrophobicContact CD1-CG2 4.14Å; F215-V219 HydrophobicContact CD2-CG2 4Å; F215-V219 HydrophobicContact CE1-CG2 3.76Å; F215-V219 HydrophobicContact CE2-CG2 3.66Å; F215-V219 HydrophobicContact CG-CG2 4.21Å; F215-V219 HydrophobicContact CZ-CG2 3.5Å; F215-V219 WeakPolarHBondContact O-CB 3.46Å; F215-V219 VanDerWaalsContact O-CG2 3.28Å; F215-V219 WeakPolarHBondContact O-CG2 3.35Å; F215-V219 PolarHBondContact O-N 3.32Å; V219-M222 PolarHBondContact O-N 3.31Å; V219-F223 HydrophobicContact CG1-CD2 3.77Å; V219-F223 HydrophobicContact CG1-CE2 3.87Å; V219-F223 WeakPolarHBondContact O-CD2 3.36Å; V219-F223 PolarHBondContact O-N 2.79Å; V219-F223 VanDerWaalsContact O-N 3.08Å
220A97.5Very high93.2Very high6 Ų660.2 Ų60.25%0.0531%0.307CS..Hα-helixtrans-61.3-46.5177.800000112.1I188 A189 L216 L217 F224I188-A220 HydrophobicContact CB-CB 4.15Å; I188-A220 HydrophobicContact CG2-CB 3.73Å; A189-A220 HydrophobicContact CB-CB 4.41Å; L216-A220 WeakPolarHBondContact O-CB 3.02Å; L216-A220 PolarHBondContact O-N 2.74Å; L217-A220 PolarHBondContact O-N 2.71Å; A220-F224 WeakPolarHBondContact O-CB 3.4Å; A220-F224 PolarHBondContact O-N 3.1Å
221C97.8Very high94.3Very high53 Ų5360.6 Ų60.636%0.35831%0.309SS..Hα-helixtrans-65-41.5178.2-71.20000112.6L217 F218 F224 V225L217-C221 WeakPolarHBondContact O-CB 3.16Å; L217-C221 PolarHBondContact O-N 2.94Å; L217-C221 PolarHBondContact O-SG 3.42Å; L217-C221 VanDerWaalsContact O-SG 3.35Å; F218-C221 PolarHBondContact O-N 2.93Å; C221-F224 PolarHBondContact O-N 3.5Å; C221-V225 WeakPolarHBondContact O-CG2 3.18Å; C221-V225 PolarHBondContact O-N 2.9Å; C221-V225 VanDerWaalsContact O-N 3.09Å
222M97.1Very high95.1Very high108 Ų10855.6 Ų55.653%0.53230%0.298SS..Hα-helixtrans-58.5-51.9177.1-178.1-165.876.300111F218 V219 S226F218-M222 WeakPolarHBondContact O-CB 3.5Å; F218-M222 PolarHBondContact O-N 3.44Å; V219-M222 PolarHBondContact O-N 3.31Å; M222-S226 PolarHBondContact O-N 3.44Å; M222-S226 PolarHBondContact O-OG 2.94Å
223F97.6Very high95.8Very high59 Ų5957.1 Ų57.126%0.25930%0.302SS..Hα-helixtrans-65.8-39.9177.5-83.1-70.5000112I28 V31 V219 V225 S226 L227I28-F223 HydrophobicContact CD1-CE1 4.21Å; I28-F223 HydrophobicContact CD1-CZ 4.23Å; V31-F223 HydrophobicContact CG1-CE2 4.16Å; V219-F223 HydrophobicContact CG1-CD2 3.77Å; V219-F223 HydrophobicContact CG1-CE2 3.87Å; V219-F223 WeakPolarHBondContact O-CD2 3.36Å; V219-F223 PolarHBondContact O-N 2.79Å; V219-F223 VanDerWaalsContact O-N 3.08Å; F223-V225 PolarHBondContact O-N 3.5Å; F223-S226 PolarHBondContact O-N 3.09Å; F223-L227 HydrophobicContact CB-CD1 4.09Å; F223-L227 WeakPolarHBondContact O-CB 3.44Å; F223-L227 WeakPolarHBondContact O-CD1 3.04Å; F223-L227 WeakPolarHBondContact O-CG 3.5Å; F223-L227 PolarHBondContact O-N 3.33Å
224F98.4Very high96.6Very high59 Ų5957.2 Ų57.226%0.25930%0.303SS..Hα-helixtrans-55.6-50.1179.5177.8-101.1000112.1V182 C185 L186 A220 C221 S226 L227 V228V182-F224 HydrophobicContact CG1-CD2 4.13Å; V182-F224 HydrophobicContact CG1-CE2 3.75Å; C185-F224 HydrophobicContact CB-CB 3.86Å; C185-F224 HydrophobicContact CB-CD2 4.34Å; L186-F224 HydrophobicContact CB-CD2 4.06Å; L186-F224 HydrophobicContact CB-CE2 3.78Å; L186-F224 HydrophobicContact CD1-CE2 3.94Å; L186-F224 HydrophobicContact CD1-CZ 4.08Å; L186-F224 HydrophobicContact CD2-CE2 4.47Å; L186-F224 HydrophobicContact CG-CE2 4.28Å; A220-F224 WeakPolarHBondContact O-CB 3.4Å; A220-F224 PolarHBondContact O-N 3.1Å; C221-F224 PolarHBondContact O-N 3.5Å; F224-S226 PolarHBondContact O-N 3.35Å; F224-L227 PolarHBondContact O-N 2.63Å; F224-V228 HydrophobicContact CD1-CG2 4.36Å; F224-V228 HydrophobicContact CD2-CG2 4.03Å; F224-V228 HydrophobicContact CE1-CG2 4.03Å; F224-V228 HydrophobicContact CE2-CG2 3.66Å; F224-V228 HydrophobicContact CG-CG2 4.37Å; F224-V228 HydrophobicContact CZ-CG2 3.67Å; F224-V228 WeakPolarHBondContact O-CB 3.33Å; F224-V228 VanDerWaalsContact O-CG2 3.29Å; F224-V228 WeakPolarHBondContact O-CG2 3.16Å; F224-V228 PolarHBondContact O-N 3.01Å
225V98.1Very high97.2Very high87 Ų8757.9 Ų57.953%0.52731%0.31SS..Hα-helixtrans-60.5-50.1-179.1172.90000111C221 F223 L227 V228 I229C221-V225 WeakPolarHBondContact O-CG2 3.18Å; C221-V225 PolarHBondContact O-N 2.9Å; C221-V225 VanDerWaalsContact O-N 3.09Å; F223-V225 PolarHBondContact O-N 3.5Å; V225-L227 PolarHBondContact O-N 2.84Å; V225-V228 PolarHBondContact O-N 2.82Å; V225-I229 HydrophobicContact CG1-CD1 4.24Å; V225-I229 WeakPolarHBondContact O-CG1 3.32Å; V225-I229 PolarHBondContact O-N 3.23Å
226S97.2Very high97.6Very high75 Ų7556.7 Ų56.752%0.52430%0.302SS..Hα-helixtrans-62.9-40.8179.4-58.40000112.6M222 F223 F224 L230M222-S226 PolarHBondContact O-N 3.44Å; M222-S226 PolarHBondContact O-OG 2.94Å; F223-S226 PolarHBondContact O-N 3.09Å; F224-S226 PolarHBondContact O-N 3.35Å; S226-L230 PolarHBondContact O-N 3.13Å; S226-L230 VanDerWaalsContact O-N 3.13Å
227L98.4Very high97.8Very high23 Ų2356.5 Ų56.512%0.1230%0.302CS..Hα-helixtrans-72.2-36.6-178.1-72.7167.4000112.7L178 V182 F223 F224 V225 I229 L230 F231L178-L227 HydrophobicContact CD2-CD2 3.89Å; V182-L227 HydrophobicContact CG2-CB 3.71Å; F223-L227 HydrophobicContact CB-CD1 4.09Å; F223-L227 WeakPolarHBondContact O-CB 3.44Å; F223-L227 WeakPolarHBondContact O-CD1 3.04Å; F223-L227 WeakPolarHBondContact O-CG 3.5Å; F223-L227 PolarHBondContact O-N 3.33Å; F224-L227 PolarHBondContact O-N 2.63Å; V225-L227 PolarHBondContact O-N 2.84Å; L227-I229 VanDerWaalsContact C-N 3.33Å; L227-L230 PolarHBondContact O-N 2.6Å; L227-F231 WeakPolarHBondContact O-CB 3.47Å; L227-F231 PolarHBondContact O-N 3.17Å
228V98.6Very high98Very high58 Ų5856.4 Ų56.435%0.35230%0.302SS..Hα-helixtrans-63.3-41.7176.3165.60000110.8V182 F224 V225 G232V182-V228 HydrophobicContact CG1-CG2 3.74Å; V182-V228 HydrophobicContact CG2-CG2 4.02Å; F224-V228 HydrophobicContact CD1-CG2 4.36Å; F224-V228 HydrophobicContact CD2-CG2 4.03Å; F224-V228 HydrophobicContact CE1-CG2 4.03Å; F224-V228 HydrophobicContact CE2-CG2 3.66Å; F224-V228 HydrophobicContact CG-CG2 4.37Å; F224-V228 HydrophobicContact CZ-CG2 3.67Å; F224-V228 WeakPolarHBondContact O-CB 3.33Å; F224-V228 VanDerWaalsContact O-CG2 3.29Å; F224-V228 WeakPolarHBondContact O-CG2 3.16Å; F224-V228 PolarHBondContact O-N 3.01Å; V225-V228 PolarHBondContact O-N 2.82Å; V228-G232 PolarHBondContact O-N 3.47Å
229I98.5Very high98.1Very high119 Ų11952 Ų5261%0.6129%0.285SS*.Hα-helixtrans-63.3-49.9176.6-65165.9000110.3V225 L227 F231 G232 Y233V225-I229 HydrophobicContact CG1-CD1 4.24Å; V225-I229 WeakPolarHBondContact O-CG1 3.32Å; V225-I229 PolarHBondContact O-N 3.23Å; L227-I229 VanDerWaalsContact C-N 3.33Å; I229-F231 PolarHBondContact O-N 2.75Å; I229-G232 PolarHBondContact O-N 3.41Å; I229-Y233 PolarHBondContact O-N 2.98Å
230L98.4Very high98.1Very high67 Ų6752.1 Ų52.135%0.35128%0.284SS..Hα-helixtrans-62.8-44.4179.7-178.160.9000111.9F174 L178 S226 L227 Y233 H234F174-L230 HydrophobicContact CZ-CD2 4.47Å; L178-L230 HydrophobicContact CD1-CD2 4.29Å; L178-L230 HydrophobicContact CD1-CG 4Å; L178-L230 HydrophobicContact CD2-CD2 3.73Å; L178-L230 HydrophobicContact CD2-CG 4.25Å; S226-L230 PolarHBondContact O-N 3.13Å; S226-L230 VanDerWaalsContact O-N 3.13Å; L227-L230 PolarHBondContact O-N 2.6Å; L230-Y233 PolarHBondContact O-N 3.16Å; L230-H234 PolarHBondContact O-CD2 3.05Å; L230-H234 VanDerWaalsContact O-CD2 3.28Å; L230-H234 PolarHBondContact O-N 2.84Å
231F98.7Very high98.1Very high60 Ų6052 Ų5226%0.26328%0.283SS..Hα-helixtrans-63.8-43177.1-177.7-117.4000111.6L178 A179 V182 L227 I229 Y233 H234 C235L178-F231 HydrophobicContact CB-CB 4.2Å; L178-F231 HydrophobicContact CB-CD2 3.72Å; L178-F231 HydrophobicContact CB-CG 4.34Å; L178-F231 HydrophobicContact CD1-CD2 4.47Å; A179-F231 HydrophobicContact CB-CD2 4.43Å; A179-F231 HydrophobicContact CB-CE2 3.74Å; A179-F231 HydrophobicContact CB-CZ 3.78Å; V182-F231 HydrophobicContact CG2-CB 4.38Å; L227-F231 WeakPolarHBondContact O-CB 3.47Å; L227-F231 PolarHBondContact O-N 3.17Å; I229-F231 PolarHBondContact O-N 2.75Å; F231-Y233 PolarHBondContact O-N 3.42Å; F231-H234 PolarHBondContact O-N 2.91Å; F231-C235 VanDerWaalsContact CZ-SG 3.53Å; F231-C235 WeakPolarHBondContact O-CB 3.17Å; F231-C235 PolarHBondContact O-N 3.43Å; F231-C235 PolarHBondContact O-SG 2.99Å
232G98.7Very high98.1Very high39 Ų3950.5 Ų50.540%0.40227%0.27SS..Hα-helixtrans-59-46175.200000112.4V228 I229 H234 C235 W236V228-G232 PolarHBondContact O-N 3.47Å; I229-G232 PolarHBondContact O-N 3.41Å; G232-H234 PolarHBondContact O-N 3.06Å; G232-C235 WeakPolarHBondContact O-CB 3.24Å; G232-C235 PolarHBondContact O-N 3.47Å; G232-W236 PolarHBondContact O-N 2.94Å
233Y98.7Very high98.2Very high71 Ų7145.5 Ų45.528%0.27825%0.245SC..Hα-helixtrans-58.9-46.3175174.4-113.7000112.1I229 L230 F231 C235 W236 L237 T244I229-Y233 PolarHBondContact O-N 2.98Å; L230-Y233 PolarHBondContact O-N 3.16Å; F231-Y233 PolarHBondContact O-N 3.42Å; Y233-C235 PolarHBondContact O-N 3.25Å; Y233-W236 HydrophobicContact CD2-CE3 4.31Å; Y233-W236 HydrophobicContact CE2-CE3 4.09Å; Y233-W236 HydrophobicContact CE2-CZ3 4.08Å; Y233-W236 WeakPolarHBondContact O-CB 3.29Å; Y233-W236 PolarHBondContact O-N 3.39Å; Y233-L237 HydrophobicContact CD1-CD1 4.01Å; Y233-L237 HydrophobicContact CE1-CD1 3.44Å; Y233-L237 VanDerWaalsContact CE1-CD1 3.44Å; Y233-L237 HydrophobicContact CE1-CG 4.12Å; Y233-L237 HydrophobicContact CE2-CD1 4.44Å; Y233-L237 HydrophobicContact CE2-CD2 4.35Å; Y233-L237 HydrophobicContact CE2-CG 4.25Å; Y233-L237 PolarHBondContact O-N 2.84Å; Y233-T244 HydrophobicContact CE1-CG2 4.27Å
234H98.7Very high98.2Very high3 Ų343.8 Ų43.81%0.01424%0.24CC..Hα-helixtrans-69.8-30.7178-82.3-75.5000113.5D156 Y171 F174 L175 L230 F231 G232 W236 L237 V238D156-H234 IonicContact OD1-CE1 2.6Å; D156-H234 PolarHBondContact OD1-CE1 3.49Å; D156-H234 VanDerWaalsContact OD1-CE1 3.24Å; Y171-H234 AromaticContact CE2-ND1 3.65Å; Y171-H234 AromaticContact CZ-ND1 3.78Å; Y171-H234 PolarHBondContact OH-ND1 2.72Å; F174-H234 AromaticContact CE1-CD2 3.86Å; F174-H234 AromaticContact CE1-CE1 3.89Å; F174-H234 AromaticContact CE1-NE2 3.62Å; L175-H234 HydrophobicContact CD2-CB 3.56Å; L230-H234 PolarHBondContact O-CD2 3.05Å; L230-H234 VanDerWaalsContact O-CD2 3.28Å; L230-H234 PolarHBondContact O-N 2.84Å; F231-H234 PolarHBondContact O-N 2.91Å; G232-H234 PolarHBondContact O-N 3.06Å; H234-W236 VanDerWaalsContact C-N 3.31Å; H234-L237 PolarHBondContact O-N 3.32Å; H234-V238 VanDerWaalsContact O-CG2 3.24Å; H234-V238 WeakPolarHBondContact O-CG2 3.34Å; H234-V238 PolarHBondContact O-N 3.34Å
235C98.6Very high98.2Very high55 Ų5543.7 Ų43.737%0.37224%0.242SC..Hα-helixtrans-61.4-41.2169.9-76.50000111.4F231 G232 Y233 V238 S239F231-C235 VanDerWaalsContact CZ-SG 3.53Å; F231-C235 WeakPolarHBondContact O-CB 3.17Å; F231-C235 PolarHBondContact O-N 3.43Å; F231-C235 PolarHBondContact O-SG 2.99Å; G232-C235 WeakPolarHBondContact O-CB 3.24Å; G232-C235 PolarHBondContact O-N 3.47Å; Y233-C235 PolarHBondContact O-N 3.25Å; C235-V238 PolarHBondContact O-N 3.1Å; C235-S239 WeakPolarHBondContact O-CB 3.25Å; C235-S239 PolarHBondContact O-N 2.96Å
236W98.4Very high98.2Very high91 Ų9140.2 Ų40.235%0.34522%0.22SC..Hα-helixtrans-64.7-41.8172.3175.691.5000112.1G232 Y233 H234 V238 S239 R240 A247G232-W236 PolarHBondContact O-N 2.94Å; Y233-W236 HydrophobicContact CD2-CE3 4.31Å; Y233-W236 HydrophobicContact CE2-CE3 4.09Å; Y233-W236 HydrophobicContact CE2-CZ3 4.08Å; Y233-W236 WeakPolarHBondContact O-CB 3.29Å; Y233-W236 PolarHBondContact O-N 3.39Å; H234-W236 VanDerWaalsContact C-N 3.31Å; W236-V238 PolarHBondContact O-N 3.49Å; W236-S239 PolarHBondContact O-N 2.99Å; W236-S239 PolarHBondContact O-OG 2.91Å; W236-R240 WeakPolarHBondContact O-CG 3.14Å; W236-R240 PolarHBondContact O-N 3.13Å; W236-A247 HydrophobicContact CZ3-CB 4.16Å
237L98.5Very high98.1Very high0 Ų038.4 Ų38.40%021%0.209CC..Hα-helixtrans-60.5-45.4175-72.8178.4000112.4Y233 H234 R240 N241 K242 T244 A247Y233-L237 HydrophobicContact CD1-CD1 4.01Å; Y233-L237 HydrophobicContact CE1-CD1 3.44Å; Y233-L237 VanDerWaalsContact CE1-CD1 3.44Å; Y233-L237 HydrophobicContact CE1-CG 4.12Å; Y233-L237 HydrophobicContact CE2-CD1 4.44Å; Y233-L237 HydrophobicContact CE2-CD2 4.35Å; Y233-L237 HydrophobicContact CE2-CG 4.25Å; Y233-L237 PolarHBondContact O-N 2.84Å; H234-L237 PolarHBondContact O-N 3.32Å; L237-R240 CarbonylContact O-C 3.42Å; L237-R240 PolarHBondContact O-N 3.05Å; L237-N241 PolarHBondContact O-N 3.08Å; L237-K242 HydrophobicContact CD2-CB 3.87Å; L237-K242 PolarHBondContact O-N 2.84Å; L237-T244 WeakPolarHBondContact CD1-OG1 3.46Å; L237-A247 HydrophobicContact CD2-CB 3.68Å
238V98.4Very high97.9Very high11 Ų1144.9 Ų44.97%0.06724%0.237CC..Hα-helixtrans-63.2-42.6177.9172.50000110.7Y171 L175 H234 C235 W236 R240 N241 N269 I270 V273Y171-V238 HydrophobicContact CE1-CG2 3.74Å; L175-V238 HydrophobicContact CD1-CG2 3.54Å; L175-V238 HydrophobicContact CD2-CG2 4.24Å; H234-V238 VanDerWaalsContact O-CG2 3.24Å; H234-V238 WeakPolarHBondContact O-CG2 3.34Å; H234-V238 PolarHBondContact O-N 3.34Å; C235-V238 PolarHBondContact O-N 3.1Å; W236-V238 PolarHBondContact O-N 3.49Å; V238-R240 PolarHBondContact O-N 3.49Å; V238-R240 VanDerWaalsContact O-N 3.14Å; V238-N241 PolarHBondContact O-N 3.41Å; V238-N241 VanDerWaalsContact O-N 3.15Å; V238-N269 VanDerWaalsContact O-CB 3.24Å; V238-N269 WeakPolarHBondContact O-CB 3.45Å; V238-I270 HydrophobicContact CG1-CG1 3.95Å; V238-V273 HydrophobicContact CG1-CG2 4.36Å; V238-V273 HydrophobicContact CG2-CG2 4.49Å
239S97.6Very high97.7Very high28 Ų2846.6 Ų46.620%0.19625%0.25CS..Hα-helixtrans-62.4-22.9-179.274.80000113C235 W236 N269C235-S239 WeakPolarHBondContact O-CB 3.25Å; C235-S239 PolarHBondContact O-N 2.96Å; W236-S239 PolarHBondContact O-N 2.99Å; W236-S239 PolarHBondContact O-OG 2.91Å; S239-N269 PolarHBondContact O-ND2 3.27Å
240R96.9Very high97.5Very high22 Ų2243 Ų438%0.08323%0.234CC..THydrogen-bonded Turntrans-109.94.3-179.8-49.1-171.298-142.1-3.2113.7W236 L237 V238 K242 D316W236-R240 WeakPolarHBondContact O-CG 3.14Å; W236-R240 PolarHBondContact O-N 3.13Å; L237-R240 CarbonylContact O-C 3.42Å; L237-R240 PolarHBondContact O-N 3.05Å; V238-R240 PolarHBondContact O-N 3.49Å; V238-R240 VanDerWaalsContact O-N 3.14Å; R240-K242 VanDerWaalsContact C-N 3.26Å; R240-K242 HydrophobicContact CB-CD 4.27Å; R240-K242 HydrophobicContact CB-CG 4.27Å; R240-K242 PolarHBondContact O-N 3.38Å; R240-D316 VanDerWaalsContact CZ-CG 3.42Å; R240-D316 IonicContact CZ-OD1 3.32Å; R240-D316 IonicContact CZ-OD2 3.54Å; R240-D316 IonicContact NE-OD1 2.73Å; R240-D316 IonicContact NH1-OD1 3.3Å; R240-D316 PolarHBondContact NH1-OD1 3.43Å; R240-D316 IonicContact NH1-OD2 3.62Å; R240-D316 PolarHBondContact NH1-OD2 3.48Å; R240-D316 IonicContact NH2-OD1 2.68Å; R240-D316 PolarHBondContact NH2-OD1 2.82Å; R240-D316 IonicContact NH2-OD2 3.57Å; R240-D316 PolarHBondContact NH2-OD2 3.48Å
241N97.9Very high97.2Very high5 Ų540.8 Ų40.83%0.02722%0.224CC..THydrogen-bonded Turntrans50.442.5-174.9-160.8-2.5000113.7R141 K154 L237 V238 F262 N269R141-N241 PolarHBondContact NH1-O 3.46Å; R141-N241 PolarHBondContact NH1-OD1 3.36Å; R141-N241 PolarHBondContact NH2-O 2.92Å; K154-N241 PolarHBondContact NZ-OD1 3.02Å; L237-N241 PolarHBondContact O-N 3.08Å; V238-N241 PolarHBondContact O-N 3.41Å; V238-N241 VanDerWaalsContact O-N 3.15Å; N241-F262 WeakPolarHBondContact CB-O 3.41Å; N241-F262 PolarHBondContact ND2-O 3.22Å; N241-N269 HydrophobicContact CB-CB 3.99Å; N241-N269 WeakPolarHBondContact CB-OD1 3.48Å
242K97.8Very high97.1Very high20 Ų2039.1 Ų39.19%0.08722%0.218CC..  trans-103.7148.2175-67.3178178.9175.20110.3L237 R240 E246 K259L237-K242 HydrophobicContact CD2-CB 3.87Å; L237-K242 PolarHBondContact O-N 2.84Å; R240-K242 VanDerWaalsContact C-N 3.26Å; R240-K242 HydrophobicContact CB-CD 4.27Å; R240-K242 HydrophobicContact CB-CG 4.27Å; R240-K242 PolarHBondContact O-N 3.38Å; K242-E246 WeakPolarHBondContact CA-OE2 3.16Å; K242-E246 HydrophobicContact CB-CB 4.44Å; K242-K259 WeakPolarHBondContact CE-O 3.01Å
243T98.5Very high96.8Very high3 Ų337.7 Ų37.72%0.01820%0.201CC..  trans-85.7165.2157.567.40000109.7K154 D156 L245 E246 A247K154-T243 HydrophobicContact CG-CG2 3.88Å; D156-T243 VanDerWaalsContact OD2-CA 3.31Å; D156-T243 WeakPolarHBondContact OD2-CA 3.43Å; D156-T243 WeakPolarHBondContact OD2-CB 3.47Å; T243-L245 PolarHBondContact O-N 3.37Å; T243-L245 PolarHBondContact OG1-N 3.49Å; T243-E246 PolarHBondContact N-OE2 2.64Å; T243-E246 PolarHBondContact O-N 2.85Å; T243-E246 VanDerWaalsContact O-N 3.16Å; T243-E246 WeakPolarHBondContact OG1-CG 3.49Å; T243-E246 PolarHBondContact OG1-N 3.46Å; T243-A247 PolarHBondContact O-N 2.71Å
244T98.3Very high96.2Very high24 Ų2439.3 Ų39.315%0.14722%0.219CC..Hα-helixtrans-54.6-42.7171.2-57.60000111.2D156 Y233 L237 E246 A247 F248D156-T244 PolarHBondContact OD1-OG1 2.97Å; D156-T244 PolarHBondContact OD2-N 2.86Å; D156-T244 PolarHBondContact OD2-OG1 3.01Å; Y233-T244 HydrophobicContact CE1-CG2 4.27Å; L237-T244 WeakPolarHBondContact CD1-OG1 3.46Å; T244-E246 VanDerWaalsContact C-N 3.34Å; T244-E246 PolarHBondContact O-N 2.88Å; T244-A247 WeakPolarHBondContact O-CB 3.03Å; T244-A247 PolarHBondContact O-N 3.48Å; T244-F248 HydrophobicContact CG2-CD2 4.04Å; T244-F248 HydrophobicContact CG2-CE2 3.73Å; T244-F248 WeakPolarHBondContact O-CD2 3.38Å; T244-F248 PolarHBondContact O-N 2.96Å
245L97.6Very high95.6Very high57 Ų5743.4 Ų43.430%0.29825%0.247SC..Hα-helixtrans-60.6-41.7177.2-66.8176.4000112.5H143 M155 T243 A247 F248 C249H143-L245 HydrophobicContact CB-CD1 3.87Å; H143-L245 VanDerWaalsContact CG-CD1 3.5Å; M155-L245 HydrophobicContact CB-CD1 4.27Å; M155-L245 HydrophobicContact CG-CD1 4.12Å; M155-L245 HydrophobicContact SD-CD1 4.43Å; T243-L245 PolarHBondContact O-N 3.37Å; T243-L245 PolarHBondContact OG1-N 3.49Å; L245-A247 VanDerWaalsContact C-N 3.31Å; L245-F248 PolarHBondContact O-N 3.44Å; L245-C249 WeakPolarHBondContact O-CB 3.22Å; L245-C249 PolarHBondContact O-N 3.21Å
246E97.4Very high95.2Very high14 Ų1441.9 Ų41.97%0.06524%0.241CC..Hα-helixtrans-72.2-26.1179.7-70.4159.5-175.800112.9R141 K242 T243 T244 F248 C249R141-E246 WeakPolarHBondContact CB-OE1 3.33Å; R141-E246 WeakPolarHBondContact CD-OE1 3.5Å; R141-E246 WeakPolarHBondContact CG-OE1 3.39Å; R141-E246 IonicContact CZ-OE1 2.83Å; R141-E246 IonicContact CZ-OE2 3.7Å; R141-E246 VanDerWaalsContact CZ-OE2 3.32Å; R141-E246 IonicContact NE-OE1 2.83Å; R141-E246 PolarHBondContact NE-OE1 3Å; R141-E246 IonicContact NE-OE2 3.42Å; R141-E246 PolarHBondContact NE-OE2 2.89Å; R141-E246 IonicContact NH2-OE1 2.82Å; R141-E246 IonicContact NH2-OE2 3.57Å; R141-E246 PolarHBondContact NH2-OE2 2.84Å; K242-E246 WeakPolarHBondContact CA-OE2 3.16Å; K242-E246 HydrophobicContact CB-CB 4.44Å; T243-E246 PolarHBondContact N-OE2 2.64Å; T243-E246 PolarHBondContact O-N 2.85Å; T243-E246 VanDerWaalsContact O-N 3.16Å; T243-E246 WeakPolarHBondContact OG1-CG 3.49Å; T243-E246 PolarHBondContact OG1-N 3.46Å; T244-E246 VanDerWaalsContact C-N 3.34Å; T244-E246 PolarHBondContact O-N 2.88Å; E246-F248 VanDerWaalsContact C-N 3.33Å; E246-C249 WeakPolarHBondContact CA-O 3.46Å; E246-C249 CarbonylContact O-C 3.15Å
247A96Very high94.9Very high36 Ų3641.4 Ų41.430%0.29825%0.25SC..Hα-helixtrans-68.3-33.5173.500000112.2W236 L237 T243 T244 L245W236-A247 HydrophobicContact CZ3-CB 4.16Å; L237-A247 HydrophobicContact CD2-CB 3.68Å; T243-A247 PolarHBondContact O-N 2.71Å; T244-A247 WeakPolarHBondContact O-CB 3.03Å; T244-A247 PolarHBondContact O-N 3.48Å; L245-A247 VanDerWaalsContact C-N 3.31Å
248F94.4Very high94.6Very high160 Ų16044 Ų4470%0.70226%0.261SS*.Hα-helixtrans-90.6-27.3175.8-69.7-70.9000113.6T244 L245 E246T244-F248 HydrophobicContact CG2-CD2 4.04Å; T244-F248 HydrophobicContact CG2-CE2 3.73Å; T244-F248 WeakPolarHBondContact O-CD2 3.38Å; T244-F248 PolarHBondContact O-N 2.96Å; L245-F248 PolarHBondContact O-N 3.44Å; E246-F248 VanDerWaalsContact C-N 3.33Å
249C93.6Very high94.3Very high94 Ų9448.3 Ų48.364%0.63528%0.279SS*.SBendtrans-133.9101.5-176.5-65.70000109.6L245 E246L245-C249 WeakPolarHBondContact O-CB 3.22Å; L245-C249 PolarHBondContact O-N 3.21Å; E246-C249 WeakPolarHBondContact CA-O 3.46Å; E246-C249 CarbonylContact O-C 3.15Å
250T93.4Very high94.1Very high43 Ų4348.5 Ų48.526%0.26428%0.278SS..  trans-55.4126.9-179.9-63.10000110.9V252 P257 K259T250-V252 PolarHBondContact O-N 3.3Å; T250-P257 HydrophobicContact CG2-CB 4.05Å; T250-K259 HydrophobicContact CG2-CB 4.47Å; T250-K259 HydrophobicContact CG2-CG 3.95Å; T250-K259 WeakPolarHBondContact OG1-CG 3.24Å
251P93.8Very high93.9Very high21 Ų2147.5 Ų47.514%0.13628%0.275CS..  trans-64.6134.9174.725.2-32000110.7T121 F253 E258 F262T121-P251 HydrophobicContact CG2-CB 4.34Å; P251-F253 HydrophobicContact CB-CE2 4.02Å; P251-F253 HydrophobicContact CG-CE2 3.89Å; P251-F253 HydrophobicContact CG-CZ 4.49Å; P251-E258 PolarHBondContact O-N 3.25Å; P251-E258 VanDerWaalsContact O-N 3.07Å; P251-F262 HydrophobicContact CB-CE2 4.27Å; P251-F262 HydrophobicContact CG-CD2 4.48Å; P251-F262 HydrophobicContact CG-CE2 4.21Å
252V95.5Very high93.8Very high25 Ų2547.6 Ų47.615%0.15228%0.275CS..EExtended strand (participates in β ladder)trans-95.8115.4176.5-176.90000108.7T121 R122 T250 P257T121-V252 CarbonylContact C-O 3.57Å; T121-V252 WeakPolarHBondContact CA-O 3.33Å; T121-V252 WeakPolarHBondContact CB-O 3.47Å; R122-V252 PolarHBondContact N-O 2.74Å; T250-V252 PolarHBondContact O-N 3.3Å; V252-P257 HydrophobicContact CG2-CB 4.41Å; V252-P257 HydrophobicContact CG2-CG 4.25Å
253F93.4Very high93.7Very high9 Ų948.3 Ų48.34%0.03928%0.28CS..EExtended strand (participates in β ladder)trans-88.5173.4173.1-67.2-97.6000110.1T121 P251 S255 G256 E258 F262 M297T121-F253 HydrophobicContact CG2-CD1 4.27Å; T121-F253 HydrophobicContact CG2-CE1 4.08Å; T121-F253 HydrophobicContact CG2-CZ 4.29Å; P251-F253 HydrophobicContact CB-CE2 4.02Å; P251-F253 HydrophobicContact CG-CE2 3.89Å; P251-F253 HydrophobicContact CG-CZ 4.49Å; F253-S255 PolarHBondContact O-N 3.49Å; F253-G256 PolarHBondContact N-O 3Å; F253-G256 PolarHBondContact O-N 3.02Å; F253-E258 HydrophobicContact CD2-CB 3.65Å; F253-E258 HydrophobicContact CD2-CG 4.04Å; F253-E258 HydrophobicContact CE2-CB 3.87Å; F253-F262 HydrophobicContact CE1-CE1 4.08Å; F253-F262 HydrophobicContact CE1-CE2 4.39Å; F253-F262 AromaticContact CE1-CZ 3.89Å; F253-F262 HydrophobicContact CE1-CZ 3.89Å; F253-F262 HydrophobicContact CE2-CE2 4.5Å; F253-F262 HydrophobicContact CZ-CD1 4.44Å; F253-F262 HydrophobicContact CZ-CD2 4.11Å; F253-F262 HydrophobicContact CZ-CE1 4.05Å; F253-F262 AromaticContact CZ-CE2 3.68Å; F253-F262 HydrophobicContact CZ-CE2 3.68Å; F253-F262 HydrophobicContact CZ-CG 4.46Å; F253-F262 AromaticContact CZ-CZ 3.64Å; F253-F262 HydrophobicContact CZ-CZ 3.64Å; F253-M297 HydrophobicContact CD1-SD 4.06Å; F253-M297 HydrophobicContact CE1-CG 4.1Å; F253-M297 HydrophobicContact CE1-SD 3.64Å
254T84.9Confident93.5Very high105 Ų10549.1 Ų49.164%0.64428%0.284SS*.THydrogen-bonded Turntrans-61.8-25.3174.549.10000113.4Y120Y120-T254 PolarHBondContact O-N 3.37Å
255S85.9Confident93.3Very high89 Ų8949.4 Ų49.462%0.62229%0.292SS*.THydrogen-bonded Turntrans-79.2-14.5173.330.50000113.6F253 E258F253-S255 PolarHBondContact O-N 3.49Å; S255-E258 PolarHBondContact OG-OE1 3.49Å
256G90.7Very high93.1Very high22 Ų2252.7 Ų52.723%0.22730%0.304CS..EExtended strand (participates in β ladder)trans123.9-175.7-173.400000113.1F253 E258F253-G256 PolarHBondContact N-O 3Å; F253-G256 PolarHBondContact O-N 3.02Å; G256-E258 PolarHBondContact O-N 3.39Å
257P92.6Very high93Very high82 Ų8256.8 Ų56.853%0.53233%0.325SS..EExtended strand (participates in β ladder)trans-65127.1176.9-18.832.3000112.1T250 V252T250-P257 HydrophobicContact CG2-CB 4.05Å; V252-P257 HydrophobicContact CG2-CB 4.41Å; V252-P257 HydrophobicContact CG2-CG 4.25Å
258E92.4Very high92.9Very high53 Ų5359.3 Ų59.325%0.24833%0.329CS..  trans-133.2106.3177.8-62.8-178.8-142.100111.5P251 F253 S255 G256 N260 G261P251-E258 PolarHBondContact O-N 3.25Å; P251-E258 VanDerWaalsContact O-N 3.07Å; F253-E258 HydrophobicContact CD2-CB 3.65Å; F253-E258 HydrophobicContact CD2-CG 4.04Å; F253-E258 HydrophobicContact CE2-CB 3.87Å; S255-E258 PolarHBondContact OG-OE1 3.49Å; G256-E258 PolarHBondContact O-N 3.39Å; E258-N260 PolarHBondContact O-N 3.42Å; E258-N260 VanDerWaalsContact O-N 3.17Å; E258-G261 PolarHBondContact O-N 3.3Å
259K91.1Very high93.1Very high103 Ų10351.7 Ų51.745%0.44830%0.296SS..THydrogen-bonded Turntrans-56.1-34.5178.5-72-175.2-179.7-176.40112.3K242 T250K242-K259 WeakPolarHBondContact CE-O 3.01Å; T250-K259 HydrophobicContact CG2-CB 4.47Å; T250-K259 HydrophobicContact CG2-CG 3.95Å; T250-K259 WeakPolarHBondContact OG1-CG 3.24Å
260N93.4Very high93.3Very high32 Ų3248.5 Ų48.517%0.17127%0.272CS..THydrogen-bonded Turntrans-112.419.7-172.6-66.9-35.6000113.2E258 F262 N263E258-N260 PolarHBondContact O-N 3.42Å; E258-N260 VanDerWaalsContact O-N 3.17Å; N260-F262 PolarHBondContact O-N 3.09Å; N260-F262 VanDerWaalsContact O-N 3.1Å; N260-N263 HydrophobicContact CB-CB 4.07Å; N260-N263 WeakPolarHBondContact O-CB 3.4Å; N260-N263 PolarHBondContact O-N 2.93Å
261G93.3Very high93.5Very high1 Ų148.6 Ų48.61%0.0127%0.27CS..THydrogen-bonded Turntrans-61.8-22.7-172.900000115.3E258 M297 R298E258-G261 PolarHBondContact O-N 3.3Å; G261-M297 CarbonylContact O-C 3.55Å; G261-M297 VanDerWaalsContact O-CA 3.31Å; G261-M297 WeakPolarHBondContact O-CA 3.44Å; G261-R298 PolarHBondContact O-N 3.29Å
262F95.9Very high93.6Very high7 Ų749.2 Ų49.23%0.03127%0.271CS..THydrogen-bonded Turntrans-103.62.8173.9-60.1-66.1000114T121 D140 R141 N241 P251 F253 N260 L264 F295 M297T121-F262 HydrophobicContact CG2-CE2 4.42Å; T121-F262 HydrophobicContact CG2-CZ 3.94Å; D140-F262 HydrophobicContact CB-CZ 4.19Å; R141-F262 HydrophobicContact CG-CD2 4.18Å; R141-F262 HydrophobicContact CG-CE1 4.32Å; R141-F262 HydrophobicContact CG-CE2 3.64Å; R141-F262 HydrophobicContact CG-CZ 3.73Å; N241-F262 WeakPolarHBondContact CB-O 3.41Å; N241-F262 PolarHBondContact ND2-O 3.22Å; P251-F262 HydrophobicContact CB-CE2 4.27Å; P251-F262 HydrophobicContact CG-CD2 4.48Å; P251-F262 HydrophobicContact CG-CE2 4.21Å; F253-F262 HydrophobicContact CE1-CE1 4.08Å; F253-F262 HydrophobicContact CE1-CE2 4.39Å; F253-F262 AromaticContact CE1-CZ 3.89Å; F253-F262 HydrophobicContact CE1-CZ 3.89Å; F253-F262 HydrophobicContact CE2-CE2 4.5Å; F253-F262 HydrophobicContact CZ-CD1 4.44Å; F253-F262 HydrophobicContact CZ-CD2 4.11Å; F253-F262 HydrophobicContact CZ-CE1 4.05Å; F253-F262 AromaticContact CZ-CE2 3.68Å; F253-F262 HydrophobicContact CZ-CE2 3.68Å; F253-F262 HydrophobicContact CZ-CG 4.46Å; F253-F262 AromaticContact CZ-CZ 3.64Å; F253-F262 HydrophobicContact CZ-CZ 3.64Å; N260-F262 PolarHBondContact O-N 3.09Å; N260-F262 VanDerWaalsContact O-N 3.1Å; F262-L264 PolarHBondContact O-N 3.22Å; F262-F295 HydrophobicContact CD1-CB 3.94Å; F262-F295 HydrophobicContact CE1-CB 4.06Å; F262-M297 HydrophobicContact CD1-CG 3.94Å; F262-M297 HydrophobicContact CE1-CG 3.79Å; F262-M297 HydrophobicContact CE1-SD 4.43Å
263N96Very high93.8Very high34 Ų3448.3 Ų48.318%0.18227%0.265CS..  trans-78.1123-179.2-174.3-4.6000110.1N260 G265 N269N260-N263 HydrophobicContact CB-CB 4.07Å; N260-N263 WeakPolarHBondContact O-CB 3.4Å; N260-N263 PolarHBondContact O-N 2.93Å; N263-G265 PolarHBondContact OD1-N 3.43Å; N263-N269 PolarHBondContact OD1-ND2 3.35Å
264L94Very high94Very high20 Ų2049.3 Ų49.311%0.10527%0.27CS..  trans-112.48.1-177.4-52.8173.5000112.6F262 K268 N269 Q272 P296 N301F262-L264 PolarHBondContact O-N 3.22Å; L264-K268 HydrophobicContact CB-CB 3.74Å; L264-K268 HydrophobicContact CB-CD 4.15Å; L264-K268 WeakPolarHBondContact O-CD 3.24Å; L264-N269 PolarHBondContact N-OD1 2.92Å; L264-Q272 HydrophobicContact CD1-CG 4.02Å; L264-P296 HydrophobicContact CD1-CB 3.76Å; L264-P296 HydrophobicContact CD1-CG 4.11Å; L264-P296 HydrophobicContact CD2-CB 4.07Å; L264-N301 HydrophobicContact CD2-CB 4.4Å
265G93.7Very high94.5Very high31 Ų3144.5 Ų44.532%0.3224%0.241SC..  trans93.1153.2-169.100000112.9N263 I267 K268 N269N263-G265 PolarHBondContact OD1-N 3.43Å; G265-I267 PolarHBondContact O-N 3.45Å; G265-K268 PolarHBondContact O-N 2.89Å; G265-N269 WeakPolarHBondContact O-CB 3.44Å; G265-N269 PolarHBondContact O-N 3.32Å; G265-N269 PolarHBondContact O-ND2 3.23Å; G265-N269 PolarHBondContact O-OD1 3.27Å
266F93.2Very high94.9Very high125 Ų12545.8 Ų45.855%0.54824%0.241SC..Hα-helixtrans-50.1-52.8-165.9-176.2-97.2000114.3N269 I270F266-N269 PolarHBondContact O-N 3.25Å; F266-I270 HydrophobicContact CD1-CD1 3.91Å; F266-I270 HydrophobicContact CE1-CD1 3.4Å; F266-I270 HydrophobicContact CE2-CD1 4.31Å; F266-I270 HydrophobicContact CZ-CD1 3.63Å; F266-I270 WeakPolarHBondContact O-CG1 3.39Å; F266-I270 PolarHBondContact O-N 3.15Å; F266-I270 VanDerWaalsContact O-N 3.16Å
267I94.8Very high95.2Very high100 Ų10048.8 Ų48.851%0.51325%0.252SS..Hα-helixtrans-67.6-45.4-176.7-61.5-64.6000111.5G265 N269 I270 Q271G265-I267 PolarHBondContact O-N 3.45Å; I267-N269 VanDerWaalsContact C-N 3.28Å; I267-N269 PolarHBondContact O-N 3.36Å; I267-I270 PolarHBondContact O-N 2.86Å; I267-Q271 HydrophobicContact CG2-CG 4.49Å; I267-Q271 WeakPolarHBondContact O-CG 3.32Å; I267-Q271 PolarHBondContact O-N 2.82Å; I267-Q271 PolarHBondContact O-OE1 3.48Å
268K95.8Very high95.2Very high89 Ų8951.9 Ų51.939%0.38726%0.257SS..Hα-helixtrans-62.4-38.4178.8-72.4-175.3179.8172.40110.9L264 G265 I270 Q271 Q272L264-K268 HydrophobicContact CB-CB 3.74Å; L264-K268 HydrophobicContact CB-CD 4.15Å; L264-K268 WeakPolarHBondContact O-CD 3.24Å; G265-K268 PolarHBondContact O-N 2.89Å; K268-I270 PolarHBondContact O-N 3.43Å; K268-Q271 WeakPolarHBondContact O-CB 3.24Å; K268-Q271 PolarHBondContact O-N 3.15Å; K268-Q272 WeakPolarHBondContact O-CG 3.07Å; K268-Q272 PolarHBondContact O-N 3.49Å
269N97.4Very high95.2Very high0 Ų057.8 Ų57.80%028%0.282CS..Hα-helixtrans-63.3-42.1176.8-63.8-18.4000112.4V238 S239 N241 N263 L264 G265 F266 I267 Q272V238-N269 VanDerWaalsContact O-CB 3.24Å; V238-N269 WeakPolarHBondContact O-CB 3.45Å; S239-N269 PolarHBondContact O-ND2 3.27Å; N241-N269 HydrophobicContact CB-CB 3.99Å; N241-N269 WeakPolarHBondContact CB-OD1 3.48Å; N263-N269 PolarHBondContact OD1-ND2 3.35Å; L264-N269 PolarHBondContact N-OD1 2.92Å; G265-N269 WeakPolarHBondContact O-CB 3.44Å; G265-N269 PolarHBondContact O-N 3.32Å; G265-N269 PolarHBondContact O-ND2 3.23Å; G265-N269 PolarHBondContact O-OD1 3.27Å; F266-N269 PolarHBondContact O-N 3.25Å; I267-N269 VanDerWaalsContact C-N 3.28Å; I267-N269 PolarHBondContact O-N 3.36Å; N269-Q272 WeakPolarHBondContact O-CB 3.21Å; N269-Q272 PolarHBondContact O-N 2.99Å
270I97.4Very high95.4Very high27 Ų2755.2 Ų55.214%0.13827%0.273CS..Hα-helixtrans-63.4-43.4173.6-66.5171.2000110.3V238 F266 I267 K268 Q272 V273 F274 W281V238-I270 HydrophobicContact CG1-CG1 3.95Å; F266-I270 HydrophobicContact CD1-CD1 3.91Å; F266-I270 HydrophobicContact CE1-CD1 3.4Å; F266-I270 HydrophobicContact CE2-CD1 4.31Å; F266-I270 HydrophobicContact CZ-CD1 3.63Å; F266-I270 WeakPolarHBondContact O-CG1 3.39Å; F266-I270 PolarHBondContact O-N 3.15Å; F266-I270 VanDerWaalsContact O-N 3.16Å; I267-I270 PolarHBondContact O-N 2.86Å; K268-I270 PolarHBondContact O-N 3.43Å; I270-Q272 VanDerWaalsContact C-N 3.26Å; I270-Q272 PolarHBondContact O-N 3.21Å; I270-V273 PolarHBondContact O-N 3Å; I270-F274 HydrophobicContact CG2-CD2 3.8Å; I270-F274 HydrophobicContact CG2-CE2 4.49Å; I270-F274 PolarHBondContact O-N 3Å; I270-W281 HydrophobicContact CG2-CE3 4.48Å; I270-W281 HydrophobicContact CG2-CH2 3.5Å; I270-W281 HydrophobicContact CG2-CZ2 3.97Å; I270-W281 HydrophobicContact CG2-CZ3 3.8Å
271Q97.4Very high95.5Very high45 Ų4556.6 Ų56.621%0.2128%0.275CS..Hα-helixtrans-62-31.4176.7-71.1171.4-62.100112.6I267 K268 V273 G275 D276 W281 P289I267-Q271 HydrophobicContact CG2-CG 4.49Å; I267-Q271 WeakPolarHBondContact O-CG 3.32Å; I267-Q271 PolarHBondContact O-N 2.82Å; I267-Q271 PolarHBondContact O-OE1 3.48Å; K268-Q271 WeakPolarHBondContact O-CB 3.24Å; K268-Q271 PolarHBondContact O-N 3.15Å; Q271-V273 PolarHBondContact O-N 3.36Å; Q271-V273 VanDerWaalsContact O-N 3.13Å; Q271-G275 WeakPolarHBondContact O-CA 3.48Å; Q271-G275 PolarHBondContact O-N 2.92Å; Q271-D276 PolarHBondContact NE2-OD1 2.69Å; Q271-W281 HydrophobicContact CG-CZ2 4.41Å; Q271-P289 WeakPolarHBondContact O-CD 3.31Å; Q271-P289 WeakPolarHBondContact O-CG 3.34Å
272Q97.6Very high95.6Very high35 Ų3562.4 Ų62.416%0.16431%0.306CS..Hα-helixtrans-62.8-15.6172.7-69.7-64.4-5800113.5L264 K268 N269 I270L264-Q272 HydrophobicContact CD1-CG 4.02Å; K268-Q272 WeakPolarHBondContact O-CG 3.07Å; K268-Q272 PolarHBondContact O-N 3.49Å; N269-Q272 WeakPolarHBondContact O-CB 3.21Å; N269-Q272 PolarHBondContact O-N 2.99Å; I270-Q272 VanDerWaalsContact C-N 3.26Å; I270-Q272 PolarHBondContact O-N 3.21Å
273V97.9Very high95.6Very high5 Ų564.7 Ų64.73%0.0332%0.318CS..Hα-helixtrans-108.9-45.1176.4-177.70000111.7Y171 K172 L175 V238 I270 Q271 S288Y171-V273 HydrophobicContact CD1-CG1 3.99Å; Y171-V273 HydrophobicContact CD1-CG2 4.06Å; Y171-V273 HydrophobicContact CE1-CG2 4.31Å; K172-V273 HydrophobicContact CB-CG1 4.1Å; L175-V273 HydrophobicContact CD1-CG1 3.78Å; V238-V273 HydrophobicContact CG1-CG2 4.36Å; V238-V273 HydrophobicContact CG2-CG2 4.49Å; I270-V273 PolarHBondContact O-N 3Å; Q271-V273 PolarHBondContact O-N 3.36Å; Q271-V273 VanDerWaalsContact O-N 3.13Å; V273-S288 WeakPolarHBondContact O-CA 3.42Å; V273-S288 WeakPolarHBondContact O-CB 3.34Å; V273-S288 PolarHBondContact O-OG 3.43Å
274F97.6Very high95.6Very high31 Ų3163.1 Ų63.114%0.13631%0.309CS..Hα-helixtrans-99.1-11-172.5-67.2-88.8000114.3K172 L175 Q176 I270 W281 S287K172-F274 HydrophobicContact CD-CD1 4.26Å; K172-F274 HydrophobicContact CG-CD1 3.91Å; K172-F274 HydrophobicContact CG-CE1 4Å; L175-F274 HydrophobicContact CB-CZ 4.2Å; L175-F274 HydrophobicContact CD1-CE2 3.93Å; L175-F274 HydrophobicContact CD1-CZ 3.87Å; Q176-F274 HydrophobicContact CG-CE1 4.26Å; I270-F274 HydrophobicContact CG2-CD2 3.8Å; I270-F274 HydrophobicContact CG2-CE2 4.49Å; I270-F274 PolarHBondContact O-N 3Å; F274-W281 HydrophobicContact CB-CB 4.49Å; F274-W281 HydrophobicContact CB-CD2 3.93Å; F274-W281 HydrophobicContact CB-CG 3.77Å; F274-W281 HydrophobicContact CD1-CB 4.22Å; F274-W281 HydrophobicContact CD1-CG 4.36Å; F274-W281 HydrophobicContact CG-CD2 4.45Å; F274-W281 HydrophobicContact CG-CG 4.32Å; F274-S287 PolarHBondContact O-OG 2.86Å
275G96.5Very high95.6Very high4 Ų466.1 Ų66.14%0.04133%0.325CS..  trans77175.8-175.500000113.6Q271 W281 S287Q271-G275 WeakPolarHBondContact O-CA 3.48Å; Q271-G275 PolarHBondContact O-N 2.92Å; G275-W281 PolarHBondContact O-NE1 3.45Å; G275-S287 WeakPolarHBondContact CA-O 3.29Å; G275-S287 PolarHBondContact N-O 3Å
276D95Very high95.6Very high116 Ų11667.4 Ų67.462%0.6234%0.338SS*.SBendtrans-77.1-29-175-60.9-47.1000113.5Q271 K278Q271-D276 PolarHBondContact NE2-OD1 2.69Å; D276-K278 PolarHBondContact O-N 2.92Å
277N95.4Very high95.7Very high84 Ų8462.8 Ų62.845%0.44932%0.321SS..  trans-79.294.9-179.9-171.5-9.9000111.3K279 L280N277-K279 PolarHBondContact O-N 3.28Å; N277-K279 VanDerWaalsContact O-N 3.08Å; N277-K279 WeakPolarHBondContact OD1-CB 3.15Å; N277-K279 PolarHBondContact OD1-N 2.91Å; N277-K279 VanDerWaalsContact OD1-N 3.16Å; N277-L280 HydrophobicContact CB-CD1 4.23Å; N277-L280 HydrophobicContact CB-CG 4.35Å; N277-L280 PolarHBondContact O-N 2.9Å
278K93.4Very high95.8Very high148 Ų14859.7 Ų59.764%0.64331%0.308SS*.G310 helixtrans-53.1-28.9178.8-63.5-175.5-178.5-179.80114.4D276 L280 W281D276-K278 PolarHBondContact O-N 2.92Å; K278-L280 PolarHBondContact O-N 2.69Å; K278-W281 VanDerWaalsContact CA-CD1 3.47Å; K278-W281 HydrophobicContact CB-CD2 4.49Å; K278-W281 HydrophobicContact CG-CD2 4.41Å; K278-W281 HydrophobicContact CG-CH2 4.47Å; K278-W281 HydrophobicContact CG-CZ2 4.02Å; K278-W281 WeakPolarHBondContact O-CB 3.22Å; K278-W281 PolarHBondContact O-N 3.25Å; K278-W281 VanDerWaalsContact O-N 3.13Å
279K93.3Very high95.8Very high177 Ų17757.5 Ų57.577%0.7730%0.303SS*.G310 helixtrans-63.6-26178.4-60.9-178.7179.3179.60112.4N277N277-K279 PolarHBondContact O-N 3.28Å; N277-K279 VanDerWaalsContact O-N 3.08Å; N277-K279 WeakPolarHBondContact OD1-CB 3.15Å; N277-K279 PolarHBondContact OD1-N 2.91Å; N277-K279 VanDerWaalsContact OD1-N 3.16Å
280L94.8Very high95.6Very high49 Ų4960.5 Ų60.526%0.25733%0.334SS..G310 helixtrans-90.3-2.6-179.9-59-179.8000113K172 N277 K278 L282 I283K172-L280 PolarHBondContact NZ-O 2.75Å; N277-L280 HydrophobicContact CB-CD1 4.23Å; N277-L280 HydrophobicContact CB-CG 4.35Å; N277-L280 PolarHBondContact O-N 2.9Å; K278-L280 PolarHBondContact O-N 2.69Å; L280-L282 VanDerWaalsContact C-N 3.32Å; L280-L282 PolarHBondContact O-N 3.1Å; L280-I283 HydrophobicContact CD2-CD1 4.35Å; L280-I283 PolarHBondContact O-N 3.24Å
281W95.6Very high95.5Very high61 Ų6162 Ų6223%0.23134%0.342CS..SBendtrans-66-34.9-174.4-74.416.6000112.9Q176 I270 Q271 F274 G275 K278Q176-W281 PolarHBondContact NE2-O 3.47Å; I270-W281 HydrophobicContact CG2-CE3 4.48Å; I270-W281 HydrophobicContact CG2-CH2 3.5Å; I270-W281 HydrophobicContact CG2-CZ2 3.97Å; I270-W281 HydrophobicContact CG2-CZ3 3.8Å; Q271-W281 HydrophobicContact CG-CZ2 4.41Å; F274-W281 HydrophobicContact CB-CB 4.49Å; F274-W281 HydrophobicContact CB-CD2 3.93Å; F274-W281 HydrophobicContact CB-CG 3.77Å; F274-W281 HydrophobicContact CD1-CB 4.22Å; F274-W281 HydrophobicContact CD1-CG 4.36Å; F274-W281 HydrophobicContact CG-CD2 4.45Å; F274-W281 HydrophobicContact CG-CG 4.32Å; G275-W281 PolarHBondContact O-NE1 3.45Å; K278-W281 VanDerWaalsContact CA-CD1 3.47Å; K278-W281 HydrophobicContact CB-CD2 4.49Å; K278-W281 HydrophobicContact CG-CD2 4.41Å; K278-W281 HydrophobicContact CG-CH2 4.47Å; K278-W281 HydrophobicContact CG-CZ2 4.02Å; K278-W281 WeakPolarHBondContact O-CB 3.22Å; K278-W281 PolarHBondContact O-N 3.25Å; K278-W281 VanDerWaalsContact O-N 3.13Å
282L94.7Very high95.4Very high123 Ų12359.9 Ų59.964%0.64433%0.332SS*.SBendtrans-90-13.5177.9-59.8-178.6000112.8Y180 L280Y180-L282 PolarHBondContact OH-O 3.13Å; L280-L282 VanDerWaalsContact C-N 3.32Å; L280-L282 PolarHBondContact O-N 3.1Å
283I95.8Very high95.3Very high55 Ų5558.5 Ų58.528%0.28233%0.326SS..SBendtrans-93.9131.9-176.5-48.6-179.1000109.2W70 K172 Q176 L280 I285W70-I283 HydrophobicContact CH2-CG2 3.98Å; W70-I283 HydrophobicContact CZ3-CG2 4.31Å; K172-I283 PolarHBondContact NZ-O 2.84Å; Q176-I283 PolarHBondContact NE2-O 3.29Å; L280-I283 HydrophobicContact CD2-CD1 4.35Å; L280-I283 PolarHBondContact O-N 3.24Å; I283-I285 HydrophobicContact CG2-CD1 3.56Å; I283-I285 HydrophobicContact CG2-CG1 3.83Å; I283-I285 PolarHBondContact O-N 2.86Å
284P95.6Very high95.1Very high1 Ų160.6 Ų60.61%0.00634%0.341CS..  trans-79.556.1-178.634.2-38.2000113.2W70 T71 K74 F173 Q176W70-P284 HydrophobicContact CB-CG 4.3Å; W70-P284 HydrophobicContact CD2-CG 3.21Å; W70-P284 VanDerWaalsContact CE2-CG 3.42Å; W70-P284 HydrophobicContact CE3-CG 3.5Å; W70-P284 HydrophobicContact CG-CG 3.56Å; W70-P284 HydrophobicContact CH2-CG 4.14Å; W70-P284 HydrophobicContact CZ2-CG 3.89Å; W70-P284 HydrophobicContact CZ3-CG 3.96Å; T71-P284 HydrophobicContact CG2-CB 3.68Å; T71-P284 HydrophobicContact CG2-CG 4.06Å; K74-P284 WeakPolarHBondContact CE-O 3.3Å; K74-P284 HydrophobicContact CG-CB 4.3Å; F173-P284 HydrophobicContact CD1-CB 4.08Å; F173-P284 HydrophobicContact CE1-CB 4.42Å; F173-P284 WeakPolarHBondContact CE1-O 3.42Å; Q176-P284 VanDerWaalsContact OE1-CA 3.28Å
285I95.5Very high95Very high83 Ų8359.9 Ų59.943%0.42634%0.338SS..SBendtrans-111.6145.1171.9-63166.4000108.4K172 I283 S287K172-I285 PolarHBondContact NZ-O 2.94Å; I283-I285 HydrophobicContact CG2-CD1 3.56Å; I283-I285 HydrophobicContact CG2-CG1 3.83Å; I283-I285 PolarHBondContact O-N 2.86Å; I285-S287 PolarHBondContact O-N 3.26Å
286G93.2Very high94.9Very high58 Ų5862.5 Ų62.560%0.59835%0.354SS*.  trans-63.2125.6178.700000111
287S95.6Very high94.7Very high28 Ų2857.2 Ų57.220%0.19633%0.326CS..  trans-148.77.2177.964.20000113.4K172 F274 G275 I285K172-S287 PolarHBondContact NZ-OG 2.77Å; F274-S287 PolarHBondContact O-OG 2.86Å; G275-S287 WeakPolarHBondContact CA-O 3.29Å; G275-S287 PolarHBondContact N-O 3Å; I285-S287 PolarHBondContact O-N 3.26Å
288S96.1Very high94.2Very high35 Ų3556.2 Ų56.225%0.24532%0.316CS..  trans-66.8127.5176.3-49.80000109.2V273V273-S288 WeakPolarHBondContact O-CA 3.42Å; V273-S288 WeakPolarHBondContact O-CB 3.34Å; V273-S288 PolarHBondContact O-OG 3.43Å
289P95.5Very high93.6Very high42 Ų4251.9 Ų51.927%0.27330%0.304SS..  trans-74.3163.8178.632.1-36.3000111.6F168 Q271F168-P289 WeakPolarHBondContact CE2-O 3.42Å; F168-P289 WeakPolarHBondContact CZ-O 3.33Å; Q271-P289 WeakPolarHBondContact O-CD 3.31Å; Q271-P289 WeakPolarHBondContact O-CG 3.34Å
290G93.8Very high92.7Very high63 Ų6347.1 Ų47.165%0.64929%0.285SS*.SBendtrans89.8178.3177.400000114F168F168-G290 WeakPolarHBondContact CZ-O 3.39Å
291D94.6Very high91.4Very high60 Ų6046.4 Ų46.432%0.32128%0.282SS..  trans-103-10.1-179.364.9-2.3000113.2Q81 H293 S294Q81-D291 PolarHBondContact NE2-O 3.42Å; D291-H293 VanDerWaalsContact C-N 3.26Å; D291-H293 PolarHBondContact O-ND1 2.91Å; D291-H293 WeakPolarHBondContact OD1-CA 3.09Å; D291-H293 PolarHBondContact OD1-N 2.82Å; D291-H293 IonicContact OD1-ND1 3.75Å; D291-H293 IonicContact OD2-ND1 3.7Å; D291-S294 PolarHBondContact OD1-N 3.38Å
292G95.6Very high90.4Very high0 Ų045.7 Ų45.70%028%0.281CS..SBendtrans82-2-17500000114.1F295G292-F295 WeakPolarHBondContact O-CE2 3.39Å; G292-F295 VanDerWaalsContact O-CZ 3.3Å; G292-F295 WeakPolarHBondContact O-CZ 3.32Å
293H96Very high89.1Confident5 Ų544.2 Ų44.22%0.02328%0.281CS..SBendtrans-98.6-38.9179-57.3102.3000112N84 F87 P139 L153 D291N84-H293 PolarHBondContact N-NE2 3.37Å; N84-H293 VanDerWaalsContact N-NE2 3.17Å; F87-H293 AromaticContact CD2-CD2 3.81Å; F87-H293 HydrophobicContact CE2-CB 3.73Å; F87-H293 AromaticContact CE2-CD2 3.31Å; F87-H293 WeakPolarHBondContact CE2-CD2 3.49Å; F87-H293 AromaticContact CE2-CG 3.61Å; F87-H293 HydrophobicContact CZ-CB 3.83Å; P139-H293 HydrophobicContact CB-CB 4.41Å; L153-H293 WeakPolarHBondContact CD1-NE2 3.36Å; D291-H293 VanDerWaalsContact C-N 3.26Å; D291-H293 PolarHBondContact O-ND1 2.91Å; D291-H293 WeakPolarHBondContact OD1-CA 3.09Å; D291-H293 PolarHBondContact OD1-N 2.82Å; D291-H293 IonicContact OD1-ND1 3.75Å; D291-H293 IonicContact OD2-ND1 3.7Å
294S94.4Very high87.5Confident50 Ų5049.3 Ų49.335%0.3530%0.304SS..  trans-120.8146.9174.563.90000111.1D291D291-S294 PolarHBondContact OD1-N 3.38Å
295F95.3Very high85.9Confident15 Ų1552.7 Ų52.77%0.06632%0.322CS..  trans-131.3140.4-178.7-60-84.2000108.9D140 R141 K154 F168 F262 G292 M297D140-F295 HydrophobicContact CB-CD2 4.48Å; D140-F295 WeakPolarHBondContact O-CE2 3.45Å; R141-F295 HydrophobicContact CB-CD2 4.39Å; R141-F295 HydrophobicContact CB-CE2 4.03Å; R141-F295 HydrophobicContact CG-CD2 3.84Å; R141-F295 HydrophobicContact CG-CE2 4Å; R141-F295 HydrophobicContact CG-CG 4.48Å; K154-F295 HydrophobicContact CB-CE1 4.26Å; K154-F295 HydrophobicContact CB-CZ 3.8Å; K154-F295 HydrophobicContact CD-CE1 3.85Å; K154-F295 HydrophobicContact CD-CZ 4.25Å; K154-F295 HydrophobicContact CG-CE1 4.15Å; K154-F295 HydrophobicContact CG-CZ 4.06Å; F168-F295 HydrophobicContact CD2-CE1 4.12Å; F168-F295 HydrophobicContact CD2-CZ 4.41Å; F168-F295 HydrophobicContact CE2-CE1 4.31Å; F262-F295 HydrophobicContact CD1-CB 3.94Å; F262-F295 HydrophobicContact CE1-CB 4.06Å; G292-F295 WeakPolarHBondContact O-CE2 3.39Å; G292-F295 VanDerWaalsContact O-CZ 3.3Å; G292-F295 WeakPolarHBondContact O-CZ 3.32Å; F295-M297 PolarHBondContact O-N 3.22Å
296P93.9Very high84.4Confident60 Ų6053.2 Ų53.239%0.3933%0.33SS..  trans-60.8137.6171.5-14.626.8000109.7L264L264-P296 HydrophobicContact CD1-CB 3.76Å; L264-P296 HydrophobicContact CD1-CG 4.11Å; L264-P296 HydrophobicContact CD2-CB 4.07Å
297M90.4Very high82.8Confident5 Ų557 Ų573%0.02534%0.336CS..  trans-113.4152.2-178.4-63.8173.5-68.600110.1Y120 F253 G261 F262 F295 S299 M300 N301Y120-M297 VanDerWaalsContact CB-SD 3.6Å; Y120-M297 HydrophobicContact CD1-CE 3.88Å; Y120-M297 HydrophobicContact CD2-CE 3.32Å; Y120-M297 HydrophobicContact CD2-SD 3.75Å; Y120-M297 HydrophobicContact CE1-CE 4.18Å; Y120-M297 HydrophobicContact CE2-CE 3.67Å; Y120-M297 HydrophobicContact CG-CE 3.44Å; Y120-M297 VanDerWaalsContact CG-CE 3.44Å; Y120-M297 HydrophobicContact CG-SD 3.73Å; F253-M297 HydrophobicContact CD1-SD 4.06Å; F253-M297 HydrophobicContact CE1-CG 4.1Å; F253-M297 HydrophobicContact CE1-SD 3.64Å; G261-M297 CarbonylContact O-C 3.55Å; G261-M297 VanDerWaalsContact O-CA 3.31Å; G261-M297 WeakPolarHBondContact O-CA 3.44Å; F262-M297 HydrophobicContact CD1-CG 3.94Å; F262-M297 HydrophobicContact CE1-CG 3.79Å; F262-M297 HydrophobicContact CE1-SD 4.43Å; F295-M297 PolarHBondContact O-N 3.22Å; M297-S299 PolarHBondContact O-N 3.26Å; M297-M300 HydrophobicContact CE-CE 3.35Å; M297-M300 HydrophobicContact CE-CG 3.94Å; M297-M300 HydrophobicContact CE-SD 3.39Å; M297-M300 WeakPolarHBondContact CE-SD 3.42Å; M297-M300 PolarHBondContact O-N 3.02Å; M297-N301 PolarHBondContact O-N 3.33Å; M297-N301 VanDerWaalsContact O-N 3.08Å
298R85.6Confident80.9Confident62 Ų6257.6 Ų57.623%0.23434%0.337CS..Hα-helixtrans-57.3-51.2-179.4-177.1178.4173.8165.86111.7G261 M300 N301 E302G261-R298 PolarHBondContact O-N 3.29Å; R298-M300 VanDerWaalsContact C-N 3.31Å; R298-M300 PolarHBondContact O-N 3.05Å; R298-N301 CarbonylContact O-C 3.59Å; R298-N301 WeakPolarHBondContact O-CA 3.5Å; R298-N301 WeakPolarHBondContact O-CB 3.31Å; R298-N301 PolarHBondContact O-N 3.32Å; R298-E302 HydrophobicContact CG-CG 4.36Å; R298-E302 IonicContact CZ-OE1 3.17Å; R298-E302 IonicContact NE-OE1 3.93Å; R298-E302 PolarHBondContact NE-OE1 3.39Å; R298-E302 IonicContact NH2-OE1 3.9Å; R298-E302 PolarHBondContact NH2-OE1 3.42Å; R298-E302 VanDerWaalsContact NH2-OE1 3.1Å; R298-E302 PolarHBondContact O-N 3.43Å
299S79.4Confident79.1Confident57 Ų5758.4 Ų58.440%0.39935%0.346SS..Hα-helixtrans-57.6-40.2-179.6550000113.2M297 S303M297-S299 PolarHBondContact O-N 3.26Å; S299-S303 WeakPolarHBondContact O-CB 3.42Å; S299-S303 PolarHBondContact O-N 3.04Å
300M74.7Confident76.9Confident77 Ų7762.8 Ų62.838%0.37937%0.367SS..Hα-helixtrans-66.4-40.9174.1-72.4-171.1170.500112Y120 M297 R298 S303 Q304Y120-M300 HydrophobicContact CD1-CE 4.37Å; Y120-M300 HydrophobicContact CE1-CE 3.71Å; Y120-M300 HydrophobicContact CE2-CE 4.35Å; M297-M300 HydrophobicContact CE-CE 3.35Å; M297-M300 HydrophobicContact CE-CG 3.94Å; M297-M300 HydrophobicContact CE-SD 3.39Å; M297-M300 WeakPolarHBondContact CE-SD 3.42Å; M297-M300 PolarHBondContact O-N 3.02Å; R298-M300 VanDerWaalsContact C-N 3.31Å; R298-M300 PolarHBondContact O-N 3.05Å; M300-S303 PolarHBondContact O-N 3.44Å; M300-S303 PolarHBondContact O-OG 2.98Å; M300-Q304 WeakPolarHBondContact O-CG 3.34Å; M300-Q304 PolarHBondContact O-N 3.36Å
301N69.1Low74.9Confident34 Ų3466 Ų6618%0.18237%0.365CS..Hα-helixtrans-69-36.9179.3-17558.2000112.2L264 M297 R298 Q304 N305 L308L264-N301 HydrophobicContact CD2-CB 4.4Å; M297-N301 PolarHBondContact O-N 3.33Å; M297-N301 VanDerWaalsContact O-N 3.08Å; R298-N301 CarbonylContact O-C 3.59Å; R298-N301 WeakPolarHBondContact O-CA 3.5Å; R298-N301 WeakPolarHBondContact O-CB 3.31Å; R298-N301 PolarHBondContact O-N 3.32Å; N301-Q304 PolarHBondContact O-N 3.15Å; N301-N305 PolarHBondContact O-N 2.85Å; N301-L308 WeakPolarHBondContact ND2-CD1 3.47Å
302E74.1Confident72.6Confident47 Ų4771.2 Ų71.222%0.2239%0.388CS..Hα-helixtrans-67.7-39.7173.4-72.9172.4169.900111.9R298 Q304 N305 A309R298-E302 HydrophobicContact CG-CG 4.36Å; R298-E302 IonicContact CZ-OE1 3.17Å; R298-E302 IonicContact NE-OE1 3.93Å; R298-E302 PolarHBondContact NE-OE1 3.39Å; R298-E302 IonicContact NH2-OE1 3.9Å; R298-E302 PolarHBondContact NH2-OE1 3.42Å; R298-E302 VanDerWaalsContact NH2-OE1 3.1Å; R298-E302 PolarHBondContact O-N 3.43Å; E302-Q304 PolarHBondContact O-N 3.29Å; E302-N305 CarbonylContact O-C 3.51Å; E302-N305 PolarHBondContact O-N 3.01Å; E302-A309 HydrophobicContact CB-CB 4.47Å; E302-A309 HydrophobicContact CG-CB 4.42Å
303S67.1Low70.3Confident92 Ų9274.9 Ų74.964%0.64341%0.412SS*.Hα-helixtrans-63.1-29.5175.274.30000113.3S299 M300S299-S303 WeakPolarHBondContact O-CB 3.42Å; S299-S303 PolarHBondContact O-N 3.04Å; M300-S303 PolarHBondContact O-N 3.44Å; M300-S303 PolarHBondContact O-OG 2.98Å
304Q63Low67.8Low162 Ų16286 Ų8676%0.75745%0.453SS*.Hα-helixtrans-85.3-24.2177.4-72.3179.7-8.100113.1M300 N301 E302M300-Q304 WeakPolarHBondContact O-CG 3.34Å; M300-Q304 PolarHBondContact O-N 3.36Å; N301-Q304 PolarHBondContact O-N 3.15Å; E302-Q304 PolarHBondContact O-N 3.29Å
305N62.3Low65.1Low71 Ų7191.4 Ų91.438%0.3847%0.473SS..  trans-141.490.6177.3-167.9-11.6000110.9N301 E302 L307 L308N301-N305 PolarHBondContact O-N 2.85Å; E302-N305 CarbonylContact O-C 3.51Å; E302-N305 PolarHBondContact O-N 3.01Å; N305-L307 PolarHBondContact O-N 3.24Å; N305-L307 PolarHBondContact OD1-N 2.58Å; N305-L308 HydrophobicContact CB-CD1 4.13Å; N305-L308 HydrophobicContact CB-CG 4.3Å; N305-L308 WeakPolarHBondContact O-CB 3.31Å; N305-L308 PolarHBondContact O-N 3.17Å
306P62.2Low62.7Low94 Ų9493.7 Ų93.761%0.6149%0.486SS*.G310 helixtrans-59-20.2-174.6-2634.4000114.8L308 A309P306-L308 PolarHBondContact O-N 3.37Å; P306-A309 WeakPolarHBondContact O-CB 3.25Å; P306-A309 PolarHBondContact O-N 3.19Å
307L59.5Low60Low138 Ų13898 Ų9872%0.72351%0.506SS*.G310 helixtrans-67.9-23.5177-63.7175.1000112.7N305 A309N305-L307 PolarHBondContact O-N 3.24Å; N305-L307 PolarHBondContact OD1-N 2.58Å; L307-A309 VanDerWaalsContact C-N 3.35Å
308L57Low57.9Low40 Ų40103.2 Ų103.221%0.20953%0.53CS..G310 helixtrans-80.8-15.1176.9-63178.9000113.1N301 N305 P306 N310 E311N301-L308 WeakPolarHBondContact ND2-CD1 3.47Å; N305-L308 HydrophobicContact CB-CD1 4.13Å; N305-L308 HydrophobicContact CB-CG 4.3Å; N305-L308 WeakPolarHBondContact O-CB 3.31Å; N305-L308 PolarHBondContact O-N 3.17Å; P306-L308 PolarHBondContact O-N 3.37Å; L308-N310 PolarHBondContact O-N 3.41Å; L308-E311 PolarHBondContact O-N 3.22Å
309A58.1Low55.8Low52 Ų52108.2 Ų108.243%0.4356%0.561SS.*G310 helixtrans-68-19.3174.500000112.3E302 P306 L307E302-A309 HydrophobicContact CB-CB 4.47Å; E302-A309 HydrophobicContact CG-CB 4.42Å; P306-A309 WeakPolarHBondContact O-CB 3.25Å; P306-A309 PolarHBondContact O-N 3.19Å; L307-A309 VanDerWaalsContact C-N 3.35Å
310N49.5Very low54Low135 Ų135110.4 Ų110.472%0.72257%0.569SS**G310 helixtrans-990-178.2-66.9-8000113.7L308 E312L308-N310 PolarHBondContact O-N 3.41Å; N310-E312 PolarHBondContact O-N 3.48Å; N310-E312 VanDerWaalsContact O-N 3.15Å
311E51.4Low52.2Low129 Ų129114.4 Ų114.460%0.60359%0.592SS**SBendtrans-72.6106.3168.7-76.5-172165.500108L308L308-E311 PolarHBondContact O-N 3.22Å
312E45.8Very low50.7Low171 Ų171119.8 Ų119.880%0.79962%0.616SS**  trans-53135.5178.5-72.8-156156.500110.3N310 W314N310-E312 PolarHBondContact O-N 3.48Å; N310-E312 VanDerWaalsContact O-N 3.15Å; E312-W314 PolarHBondContact O-N 2.97Å
313P47.3Very low48.7Very low77 Ų77125.2 Ų125.250%0.565%0.646SS.*  trans-53132.5172.2-19.430.2000108.9E315P313-E315 VanDerWaalsContact C-N 3.26Å; P313-E315 PolarHBondContact O-N 3.26Å
314W43Very low47.2Very low238 Ų238129.2 Ų129.290%0.90265%0.649SS**  trans-58.7101.4158-69.682.4000106.2E312 D316E312-W314 PolarHBondContact O-N 2.97Å; W314-D316 PolarHBondContact O-N 3.12Å
315E39.6Very low45.8Very low163 Ų163127.5 Ų127.576%0.76265%0.651SS**  trans-57.3108.9177.3-72-175.6152.400107.6P313 N317P313-E315 VanDerWaalsContact C-N 3.26Å; P313-E315 PolarHBondContact O-N 3.26Å; E315-N317 PolarHBondContact O-N 3.37Å
316D43.9Very low44.4Very low64 Ų64133.1 Ų133.134%0.34268%0.675SS.*  trans-70.6110.1154.8-58.3-50.2000105.1R240 W314 E318R240-D316 VanDerWaalsContact CZ-CG 3.42Å; R240-D316 IonicContact CZ-OD1 3.32Å; R240-D316 IonicContact CZ-OD2 3.54Å; R240-D316 IonicContact NE-OD1 2.73Å; R240-D316 IonicContact NH1-OD1 3.3Å; R240-D316 PolarHBondContact NH1-OD1 3.43Å; R240-D316 IonicContact NH1-OD2 3.62Å; R240-D316 PolarHBondContact NH1-OD2 3.48Å; R240-D316 IonicContact NH2-OD1 2.68Å; R240-D316 PolarHBondContact NH2-OD1 2.82Å; R240-D316 IonicContact NH2-OD2 3.57Å; R240-D316 PolarHBondContact NH2-OD2 3.48Å; W314-D316 PolarHBondContact O-N 3.12Å; D316-E318 HydrophobicContact CB-CB 4.47Å; D316-E318 HydrophobicContact CB-CG 4.48Å; D316-E318 PolarHBondContact O-N 3.34Å
317N37.1Very low42.9Very low149 Ų149132.5 Ų132.580%0.79769%0.686SS**  trans-67.775.1159.1-72.8-40.2000108.1E315E315-N317 PolarHBondContact O-N 3.37Å
318E45.6Very low41.5Very low115 Ų115131.3 Ų131.354%0.53769%0.689SS.*  trans-124.391.2165.8-75-176.1171.300107.5D316 D320D316-E318 HydrophobicContact CB-CB 4.47Å; D316-E318 HydrophobicContact CB-CG 4.48Å; D316-E318 PolarHBondContact O-N 3.34Å; E318-D320 VanDerWaalsContact C-N 3.33Å; E318-D320 PolarHBondContact O-N 3.03Å
319D41.9Very low40.2Very low167 Ų167134.8 Ų134.889%0.89372%0.717SS**  trans-55.396.6158.1-104-25.4000108.2
320D42Very low38.9Very low103 Ų103137.8 Ų137.855%0.55174%0.735SS**  trans-13075.7165.3-101.4-26.2000107.9E318 Q322E318-D320 VanDerWaalsContact C-N 3.33Å; E318-D320 PolarHBondContact O-N 3.03Å; D320-Q322 PolarHBondContact O-N 3.4Å
321N36.8Very low38Very low162 Ų162139 Ų13987%0.86674%0.74SS**  trans-64.788155.6-108-6.8000107.6
322Q37.5Very low36.8Very low147 Ų147138.2 Ų138.269%0.68775%0.749SS**  trans-102.498.5161.6-76.3-178.814.100108.1D320 Y324D320-Q322 PolarHBondContact O-N 3.4Å; Q322-Y324 PolarHBondContact O-N 3.44Å
323D33.1Very low36.3Very low160 Ų160136 Ų13686%0.85675%0.747SS**  trans-49.6119.4163-94.1-31000109.2
324Y34.3Very low35.5Very low177 Ų177141.2 Ų141.269%0.69477%0.765SS**  trans-72.9127.1162.9-69.5-88.3000107.4Q322 E326Q322-Y324 PolarHBondContact O-N 3.44Å; Y324-E326 PolarHBondContact O-N 3.48Å
325P33.5Very low35Very low126 Ų126135.6 Ų135.682%0.81876%0.757SS**  trans-68.6111.5173.225.3-29000108.9G327P325-G327 PolarHBondContact O-N 3.48Å; P325-G327 VanDerWaalsContact O-N 3.13Å
326E32.7Very low34.5Very low188 Ų188136.4 Ų136.488%0.87976%0.761SS**  trans-62.2109.3165.4-76.2-170.9157.300109Y324 S328Y324-E326 PolarHBondContact O-N 3.48Å; E326-S328 PolarHBondContact O-N 3.39Å
327G31.9Very low34.1Very low81 Ų81143.6 Ų143.684%0.83581%0.807SS**  trans-75.9112.1160.500000109.2P325P325-G327 PolarHBondContact O-N 3.48Å; P325-G327 VanDerWaalsContact O-N 3.13Å
328S28.8Very low33.9Very low113 Ų113143.4 Ų143.479%0.7981%0.808SS**  trans-129.8132.7153.871.90000110.5E326E326-S328 PolarHBondContact O-N 3.39Å
329S31.1Very low33.3Very low114 Ų114144.8 Ų144.880%0.79782%0.822SS**  trans-75.8145.3-179.653.50000112.5
330S29.8Very low32.8Very low114 Ų114143.6 Ų143.680%0.79782%0.818SS**  173.1144.3117.352.40000112.8
331L30.6Very low32.3Very low160 Ų160146 Ų14684%0.83883%0.834SS**  trans-39.2144.7173-72.891.6000116.6
332S26.6Very low32Very low113 Ų113145 Ų14579%0.7983%0.832SS**  -145.6124.112553.20000110.4
333V36.1Very low31.7Very low126 Ų126144.9 Ų144.976%0.76484%0.842SS**  trans-84.7118.6161.4168.70000105.5
334E29Very low31.5Very low185 Ų185143.8 Ų143.886%0.86484%0.841SS**  trans-137132.7156.8-82.3-172.3160.600109.9
335T32.1Very low31.3Very low121 Ų121141.2 Ų141.274%0.74285%0.852SS**  trans-75.4170.9178.832.30000113.4
336E29.6Very low31.2Very low180 Ų180142.5 Ų142.584%0.84186%0.855SS**  trans88.4106.2165.1-52.3-170.1159.400114.3
337T35.7Very low31Very low215 Ų215138.4 Ų138.4100%1.31985%0.853SS**  -170.9070.124.10000110.3

Retrieved 337 of 337 residues in 73.8 ms (Link to these results)

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