A0A077ZFU8_TRITR Loading...

Y phosphatase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 713 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
1M56Low73.3Confident199 Ų199135.3 Ų135.398%0.9863%0.626SS**  0-45.60-83.4-177.47000113D3 H4 Q5M1-D3 PolarHBondContact O-N 3.07Å; M1-H4 PolarHBondContact O-N 3.32Å; M1-Q5 PolarHBondContact O-N 3.26Å
2V68.1Low74.4Confident113 Ų113130.5 Ų130.569%0.68561%0.614SS**Hα-helixtrans-59.9-42.6-177.2-178.50000113.5H4 Q5 R6V2-H4 VanDerWaalsContact C-N 3.31Å; V2-H4 PolarHBondContact O-N 3.22Å; V2-Q5 PolarHBondContact O-N 3.43Å; V2-R6 PolarHBondContact O-N 3.35Å; V2-R6 VanDerWaalsContact O-N 3.07Å
3D70Confident75.3Confident132 Ų132125.2 Ų125.271%0.70660%0.595SS**Hα-helixtrans-65.2-33.3178.1-76.2-31000113.4M1 R6 K7M1-D3 PolarHBondContact O-N 3.07Å; D3-R6 PolarHBondContact O-N 3.49Å; D3-K7 WeakPolarHBondContact O-CB 3.09Å; D3-K7 PolarHBondContact O-N 3.48Å
4H69.1Low76.2Confident129 Ų129128.4 Ų128.460%0.59760%0.6SS**Hα-helixtrans-71.8-36.2179.9-146.6-38.3000111.7M1 V2 N8M1-H4 PolarHBondContact O-N 3.32Å; V2-H4 VanDerWaalsContact C-N 3.31Å; V2-H4 PolarHBondContact O-N 3.22Å; H4-N8 VanDerWaalsContact O-CG 3.3Å; H4-N8 PolarHBondContact O-N 3.37Å; H4-N8 VanDerWaalsContact O-N 3.17Å; H4-N8 PolarHBondContact O-OD1 3.26Å
5Q69.1Low77.1Confident143 Ų143128.2 Ų128.267%0.66860%0.604SS**Hα-helixtrans-69.4-38.4173.6-75.6-164.6-34.900112.2M1 V2 N8 Y9M1-Q5 PolarHBondContact O-N 3.26Å; V2-Q5 PolarHBondContact O-N 3.43Å; Q5-N8 PolarHBondContact O-N 3.17Å; Q5-Y9 PolarHBondContact O-N 3.01Å
6R72.8Confident77.9Confident157 Ų157127.9 Ų127.959%0.59261%0.607SS**Hα-helixtrans-62.3-45.4175.3-125.9-175-153.7177.76.9111.4V2 D3 N8 Y9 Y10V2-R6 PolarHBondContact O-N 3.35Å; V2-R6 VanDerWaalsContact O-N 3.07Å; D3-R6 PolarHBondContact O-N 3.49Å; R6-N8 PolarHBondContact O-N 3.22Å; R6-Y9 PolarHBondContact O-N 3.03Å; R6-Y10 HydrophobicContact CB-CE2 4.5Å; R6-Y10 HydrophobicContact CG-CD2 4.41Å; R6-Y10 HydrophobicContact CG-CE2 3.87Å; R6-Y10 WeakPolarHBondContact O-CD2 3.44Å; R6-Y10 PolarHBondContact O-N 3.43Å
7K75.5Confident78.5Confident135 Ų135123.3 Ų123.359%0.58760%0.595SS**Hα-helixtrans-61.1-45179.8-150.7176.6-177.4-174.90111.7D3 Y9 Y10 E11D3-K7 WeakPolarHBondContact O-CB 3.09Å; D3-K7 PolarHBondContact O-N 3.48Å; K7-Y9 VanDerWaalsContact C-N 3.34Å; K7-Y9 PolarHBondContact O-N 3.05Å; K7-Y10 PolarHBondContact O-N 3.24Å; K7-E11 WeakPolarHBondContact O-CG 3.4Å; K7-E11 PolarHBondContact O-N 2.71Å
8N78.7Confident79.2Confident78 Ų78120.1 Ų120.142%0.41758%0.584SS.*Hα-helixtrans-63.7-36.8176.1-69.48.4000112.6H4 Q5 R6 T12H4-N8 VanDerWaalsContact O-CG 3.3Å; H4-N8 PolarHBondContact O-N 3.37Å; H4-N8 VanDerWaalsContact O-N 3.17Å; H4-N8 PolarHBondContact O-OD1 3.26Å; Q5-N8 PolarHBondContact O-N 3.17Å; R6-N8 PolarHBondContact O-N 3.22Å; N8-T12 WeakPolarHBondContact O-CB 3.45Å; N8-T12 PolarHBondContact O-N 2.95Å; N8-T12 PolarHBondContact O-OG1 3.41Å
9Y82Confident79.8Confident153 Ų153115.5 Ų115.560%0.657%0.572SS**Hα-helixtrans-65.1-47.9176179.4-97.4000111.7Q5 R6 K7 E11 T12 V13Q5-Y9 PolarHBondContact O-N 3.01Å; R6-Y9 PolarHBondContact O-N 3.03Å; K7-Y9 VanDerWaalsContact C-N 3.34Å; K7-Y9 PolarHBondContact O-N 3.05Å; Y9-E11 VanDerWaalsContact C-N 3.35Å; Y9-E11 PolarHBondContact O-N 3.47Å; Y9-T12 PolarHBondContact O-N 3.49Å; Y9-V13 HydrophobicContact CD1-CG2 4.15Å; Y9-V13 HydrophobicContact CD2-CG2 4.44Å; Y9-V13 HydrophobicContact CE1-CG2 3.73Å; Y9-V13 HydrophobicContact CE2-CG2 4.05Å; Y9-V13 HydrophobicContact CG-CG2 4.49Å; Y9-V13 WeakPolarHBondContact O-CG2 3.49Å; Y9-V13 PolarHBondContact O-N 2.91Å
10Y81.6Confident80.4Confident147 Ų147115.2 Ų115.258%0.57657%0.572SS**Hα-helixtrans-63.4-39.9177.5-74.2-66.9000112.3R6 K7 V13 Y14R6-Y10 HydrophobicContact CB-CE2 4.5Å; R6-Y10 HydrophobicContact CG-CD2 4.41Å; R6-Y10 HydrophobicContact CG-CE2 3.87Å; R6-Y10 WeakPolarHBondContact O-CD2 3.44Å; R6-Y10 PolarHBondContact O-N 3.43Å; K7-Y10 PolarHBondContact O-N 3.24Å; Y10-V13 PolarHBondContact O-N 3.34Å; Y10-Y14 VanDerWaalsContact O-CB 3.23Å; Y10-Y14 WeakPolarHBondContact O-CB 3.23Å; Y10-Y14 PolarHBondContact O-N 2.96Å
11E83.6Confident80.8Confident102 Ų102113 Ų11348%0.47757%0.568SS.*Hα-helixtrans-61.5-43.1173.6-76.9176.7-175.100111.6K7 Y9 Y14 L15K7-E11 WeakPolarHBondContact O-CG 3.4Å; K7-E11 PolarHBondContact O-N 2.71Å; Y9-E11 VanDerWaalsContact C-N 3.35Å; Y9-E11 PolarHBondContact O-N 3.47Å; E11-Y14 PolarHBondContact O-N 2.91Å; E11-L15 WeakPolarHBondContact O-CB 3.35Å; E11-L15 WeakPolarHBondContact O-CD1 3.5Å; E11-L15 PolarHBondContact O-N 3.49Å
12T85.8Confident82.5Confident78 Ų78107.2 Ų107.248%0.47954%0.543SS..Hα-helixtrans-65.3-45.1178.6-54.10000112N8 Y9 Y14 L15 L16N8-T12 WeakPolarHBondContact O-CB 3.45Å; N8-T12 PolarHBondContact O-N 2.95Å; N8-T12 PolarHBondContact O-OG1 3.41Å; Y9-T12 PolarHBondContact O-N 3.49Å; T12-Y14 VanDerWaalsContact C-N 3.32Å; T12-Y14 PolarHBondContact O-N 3.22Å; T12-L15 PolarHBondContact O-N 3.21Å; T12-L16 HydrophobicContact CG2-CD1 4.3Å; T12-L16 WeakPolarHBondContact O-CG 3.36Å; T12-L16 PolarHBondContact O-N 2.9Å
13V86.6Confident83.7Confident62 Ų62107.2 Ų107.238%0.37654%0.539SS..Hα-helixtrans-63.9-40.5177.31730000110.6Y9 Y10 L16 A17Y9-V13 HydrophobicContact CD1-CG2 4.15Å; Y9-V13 HydrophobicContact CD2-CG2 4.44Å; Y9-V13 HydrophobicContact CE1-CG2 3.73Å; Y9-V13 HydrophobicContact CE2-CG2 4.05Å; Y9-V13 HydrophobicContact CG-CG2 4.49Å; Y9-V13 WeakPolarHBondContact O-CG2 3.49Å; Y9-V13 PolarHBondContact O-N 2.91Å; Y10-V13 PolarHBondContact O-N 3.34Å; V13-L16 PolarHBondContact O-N 3.19Å; V13-A17 WeakPolarHBondContact O-CB 3.4Å; V13-A17 PolarHBondContact O-N 3.09Å
14Y88.4Confident84.7Confident169 Ų169105.5 Ų105.566%0.66353%0.529SS*.Hα-helixtrans-64.3-45.3176.6-171.2-95.3000111.7Y10 E11 T12 L16 A17 V18Y10-Y14 VanDerWaalsContact O-CB 3.23Å; Y10-Y14 WeakPolarHBondContact O-CB 3.23Å; Y10-Y14 PolarHBondContact O-N 2.96Å; E11-Y14 PolarHBondContact O-N 2.91Å; T12-Y14 VanDerWaalsContact C-N 3.32Å; T12-Y14 PolarHBondContact O-N 3.22Å; Y14-L16 VanDerWaalsContact C-N 3.34Å; Y14-L16 PolarHBondContact O-N 3.27Å; Y14-A17 PolarHBondContact O-N 2.96Å; Y14-V18 HydrophobicContact CD1-CG2 3.96Å; Y14-V18 HydrophobicContact CE1-CG2 3.65Å; Y14-V18 WeakPolarHBondContact O-CB 3.42Å; Y14-V18 VanDerWaalsContact O-CG2 3.28Å; Y14-V18 WeakPolarHBondContact O-CG2 3.4Å; Y14-V18 PolarHBondContact O-N 3.44Å
15L88.8Confident85.8Confident126 Ų126103 Ų10366%0.6652%0.522SS*.Hα-helixtrans-58.7-42.3174.5-91.5148.9000112.4E11 T12 G19E11-L15 WeakPolarHBondContact O-CB 3.35Å; E11-L15 WeakPolarHBondContact O-CD1 3.5Å; E11-L15 PolarHBondContact O-N 3.49Å; T12-L15 PolarHBondContact O-N 3.21Å; L15-G19 PolarHBondContact O-N 3.3Å
16L90.3Very high86.9Confident123 Ų123101.2 Ų101.264%0.64452%0.516SS*.Hα-helixtrans-65.6-42.9175.8-76.2168.2000112.1T12 V13 Y14 G19 L20T12-L16 HydrophobicContact CG2-CD1 4.3Å; T12-L16 WeakPolarHBondContact O-CG 3.36Å; T12-L16 PolarHBondContact O-N 2.9Å; V13-L16 PolarHBondContact O-N 3.19Å; Y14-L16 VanDerWaalsContact C-N 3.34Å; Y14-L16 PolarHBondContact O-N 3.27Å; L16-G19 PolarHBondContact O-N 2.9Å; L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 PolarHBondContact O-N 3.38Å
17A87.7Confident87.7Confident50 Ų5096.8 Ų96.841%0.41351%0.513SS..Hα-helixtrans-65.2-41.1178.100000112V13 Y14 S21V13-A17 WeakPolarHBondContact O-CB 3.4Å; V13-A17 PolarHBondContact O-N 3.09Å; Y14-A17 PolarHBondContact O-N 2.96Å; A17-S21 WeakPolarHBondContact O-CB 3.28Å; A17-S21 PolarHBondContact O-N 3.16Å; A17-S21 PolarHBondContact O-OG 3.37Å
18V90.9Very high88.5Confident65 Ų6593.7 Ų93.739%0.39451%0.505SS..Hα-helixtrans-64.3-45.8173.8172.90000110.3Y14 L20 S21 V22Y14-V18 HydrophobicContact CD1-CG2 3.96Å; Y14-V18 HydrophobicContact CE1-CG2 3.65Å; Y14-V18 WeakPolarHBondContact O-CB 3.42Å; Y14-V18 VanDerWaalsContact O-CG2 3.28Å; Y14-V18 WeakPolarHBondContact O-CG2 3.4Å; Y14-V18 PolarHBondContact O-N 3.44Å; V18-L20 PolarHBondContact O-N 3.18Å; V18-S21 PolarHBondContact O-N 3.19Å; V18-V22 HydrophobicContact CG1-CG2 4.49Å; V18-V22 WeakPolarHBondContact O-CG2 3.49Å; V18-V22 PolarHBondContact O-N 3.09Å
19G90.7Very high89Confident34 Ų3496.7 Ų96.735%0.35152%0.515SS..Hα-helixtrans-58.8-44.6176.800000113L15 L16 V22 L23L15-G19 PolarHBondContact O-N 3.3Å; L16-G19 PolarHBondContact O-N 2.9Å; G19-V22 PolarHBondContact O-N 3.38Å; G19-L23 WeakPolarHBondContact O-CG 3.4Å; G19-L23 PolarHBondContact O-N 2.89Å
20L92Very high89.4Confident109 Ų10991.1 Ų91.157%0.57150%0.504SS*.Hα-helixtrans-63.7-42.4176.1-167.480000111.8L16 V18 V22 L23 I24L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 PolarHBondContact O-N 3.38Å; V18-L20 PolarHBondContact O-N 3.18Å; L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 3.38Å; L20-I24 HydrophobicContact CD2-CD1 4.43Å; L20-I24 HydrophobicContact CG-CD1 4.19Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 2.92Å
21S90Very high89.6Confident69 Ų6987.6 Ų87.648%0.48350%0.501SS..Hα-helixtrans-62.6-42178.5-57.50000111.4A17 V18 I24 V25A17-S21 WeakPolarHBondContact O-CB 3.28Å; A17-S21 PolarHBondContact O-N 3.16Å; A17-S21 PolarHBondContact O-OG 3.37Å; V18-S21 PolarHBondContact O-N 3.19Å; S21-I24 PolarHBondContact O-N 2.97Å; S21-V25 VanDerWaalsContact O-CG2 3.26Å; S21-V25 WeakPolarHBondContact O-CG2 3.43Å; S21-V25 PolarHBondContact O-N 3.42Å
22V91.7Very high89.7Confident78 Ų7886.7 Ų86.747%0.47350%0.498SS..Hα-helixtrans-63.3-42.4175.4172.30000111.3V18 G19 L20 V25 I26V18-V22 HydrophobicContact CG1-CG2 4.49Å; V18-V22 WeakPolarHBondContact O-CG2 3.49Å; V18-V22 PolarHBondContact O-N 3.09Å; G19-V22 PolarHBondContact O-N 3.38Å; L20-V22 VanDerWaalsContact C-N 3.34Å; L20-V22 PolarHBondContact O-N 3.38Å; V22-V25 PolarHBondContact O-N 2.89Å; V22-I26 HydrophobicContact CG1-CD1 3.82Å; V22-I26 HydrophobicContact CG1-CG1 4.46Å; V22-I26 VanDerWaalsContact O-CG1 3.3Å; V22-I26 WeakPolarHBondContact O-CG1 3.42Å; V22-I26 PolarHBondContact O-N 2.98Å
23L91.8Very high89.6Confident113 Ų11384.7 Ų84.759%0.59249%0.494SS*.Hα-helixtrans-63.6-41.4177.1-73.5172000112.6G19 L20 I26 A27G19-L23 WeakPolarHBondContact O-CG 3.4Å; G19-L23 PolarHBondContact O-N 2.89Å; L20-L23 PolarHBondContact O-N 3.38Å; L23-I26 PolarHBondContact O-N 2.74Å; L23-A27 WeakPolarHBondContact O-CB 3.07Å; L23-A27 PolarHBondContact O-N 3.25Å
24I92.1Very high89.4Confident96 Ų9686 Ų8649%0.49250%0.504SS..Hα-helixtrans-62.4-45.2175.9-69166.7000110.2L20 S21 I26 A27 V28L20-I24 HydrophobicContact CD2-CD1 4.43Å; L20-I24 HydrophobicContact CG-CD1 4.19Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 2.92Å; S21-I24 PolarHBondContact O-N 2.97Å; I24-I26 PolarHBondContact O-N 2.9Å; I24-A27 PolarHBondContact O-N 2.89Å; I24-V28 HydrophobicContact CG2-CG2 4.43Å; I24-V28 WeakPolarHBondContact O-CG2 3.11Å; I24-V28 PolarHBondContact O-N 2.76Å
25V91.4Very high89.1Confident76 Ų7684.6 Ų84.646%0.46150%0.502SS..Hα-helixtrans-60.2-46.3177.5170.20000110.8S21 V22 A27 V28 F29S21-V25 VanDerWaalsContact O-CG2 3.26Å; S21-V25 WeakPolarHBondContact O-CG2 3.43Å; S21-V25 PolarHBondContact O-N 3.42Å; V22-V25 PolarHBondContact O-N 2.89Å; V25-A27 VanDerWaalsContact C-N 3.33Å; V25-A27 PolarHBondContact O-N 2.61Å; V25-V28 PolarHBondContact O-N 2.91Å; V25-F29 HydrophobicContact CG1-CD2 3.55Å; V25-F29 HydrophobicContact CG1-CE2 3.65Å; V25-F29 VanDerWaalsContact O-CD2 3.25Å; V25-F29 WeakPolarHBondContact O-CD2 3.37Å; V25-F29 PolarHBondContact O-N 3Å
26I92.1Very high88.7Confident106 Ų10686 Ų8654%0.54450%0.5SS..Hα-helixtrans-60.8-40.9176.1-68.2167.2000111.4V22 L23 I24 G30V22-I26 HydrophobicContact CG1-CD1 3.82Å; V22-I26 HydrophobicContact CG1-CG1 4.46Å; V22-I26 VanDerWaalsContact O-CG1 3.3Å; V22-I26 WeakPolarHBondContact O-CG1 3.42Å; V22-I26 PolarHBondContact O-N 2.98Å; L23-I26 PolarHBondContact O-N 2.74Å; I24-I26 PolarHBondContact O-N 2.9Å; I26-G30 WeakPolarHBondContact O-CA 3.33Å; I26-G30 PolarHBondContact O-N 3.24Å
27A90.8Very high88.2Confident63 Ų6387.4 Ų87.452%0.52150%0.497SS..Hα-helixtrans-67-38.4178.400000112.8L23 I24 V25 S31L23-A27 WeakPolarHBondContact O-CB 3.07Å; L23-A27 PolarHBondContact O-N 3.25Å; I24-A27 PolarHBondContact O-N 2.89Å; V25-A27 VanDerWaalsContact C-N 3.33Å; V25-A27 PolarHBondContact O-N 2.61Å; A27-S31 WeakPolarHBondContact O-CB 3.28Å; A27-S31 PolarHBondContact O-N 2.87Å; A27-S31 PolarHBondContact O-OG 3.29Å
28V91.3Very high87.4Confident71 Ų7188.9 Ų88.943%0.4351%0.505SS..Hα-helixtrans-68.9-47.91761730000110.6I24 V25 G30 S31 I32I24-V28 HydrophobicContact CG2-CG2 4.43Å; I24-V28 WeakPolarHBondContact O-CG2 3.11Å; I24-V28 PolarHBondContact O-N 2.76Å; V25-V28 PolarHBondContact O-N 2.91Å; V28-G30 VanDerWaalsContact C-N 3.32Å; V28-G30 PolarHBondContact O-N 3.13Å; V28-S31 WeakPolarHBondContact CA-OG 3.47Å; V28-S31 PolarHBondContact O-N 3.09Å; V28-S31 PolarHBondContact O-OG 3.44Å; V28-I32 HydrophobicContact CG1-CD1 3.83Å; V28-I32 VanDerWaalsContact O-CG1 3.27Å; V28-I32 WeakPolarHBondContact O-CG1 3.39Å; V28-I32 PolarHBondContact O-N 3.42Å
29F90.1Very high86.5Confident140 Ų14091.4 Ų91.461%0.61451%0.512SS*.Hα-helixtrans-67.2-33.7176.7-80.2-71.6000112.6V25 G33V25-F29 HydrophobicContact CG1-CD2 3.55Å; V25-F29 HydrophobicContact CG1-CE2 3.65Å; V25-F29 VanDerWaalsContact O-CD2 3.25Å; V25-F29 WeakPolarHBondContact O-CD2 3.37Å; V25-F29 PolarHBondContact O-N 3Å; F29-G33 PolarHBondContact O-N 3.32Å
30G89.2Confident85.7Confident37 Ų3794 Ų9438%0.38152%0.517SS..Hα-helixtrans-65.2-42.3173.600000112.4I26 V28 G33 C34I26-G30 WeakPolarHBondContact O-CA 3.33Å; I26-G30 PolarHBondContact O-N 3.24Å; V28-G30 VanDerWaalsContact C-N 3.32Å; V28-G30 PolarHBondContact O-N 3.13Å; G30-G33 PolarHBondContact O-N 3.44Å; G30-C34 WeakPolarHBondContact O-CB 3.43Å; G30-C34 PolarHBondContact O-N 3.37Å; G30-C34 PolarHBondContact O-SG 3.3Å; G30-C34 VanDerWaalsContact O-SG 3.33Å
31S86.1Confident84.5Confident72 Ų7294.1 Ų94.150%0.50351%0.513SS..Hα-helixtrans-70.1-40.5176.652.90000112.5A27 V28 G33 C34 F35A27-S31 WeakPolarHBondContact O-CB 3.28Å; A27-S31 PolarHBondContact O-N 2.87Å; A27-S31 PolarHBondContact O-OG 3.29Å; V28-S31 WeakPolarHBondContact CA-OG 3.47Å; V28-S31 PolarHBondContact O-N 3.09Å; V28-S31 PolarHBondContact O-OG 3.44Å; S31-G33 VanDerWaalsContact C-N 3.34Å; S31-C34 PolarHBondContact O-N 3.04Å; S31-F35 WeakPolarHBondContact O-CB 3.36Å; S31-F35 PolarHBondContact O-N 3.17Å
32I87.1Confident83.1Confident83 Ų8392.5 Ų92.543%0.42651%0.507SS..Hα-helixtrans-61.5-43.5170.8-66.2166.8000110.5V28 F35 Y36V28-I32 HydrophobicContact CG1-CD1 3.83Å; V28-I32 VanDerWaalsContact O-CG1 3.27Å; V28-I32 WeakPolarHBondContact O-CG1 3.39Å; V28-I32 PolarHBondContact O-N 3.42Å; I32-F35 PolarHBondContact O-N 3.29Å; I32-Y36 HydrophobicContact CG2-CD2 4.12Å; I32-Y36 WeakPolarHBondContact O-CB 3.31Å; I32-Y36 PolarHBondContact O-N 3.49Å
33G83.4Confident81.6Confident37 Ų3796.8 Ų96.838%0.38152%0.515SS..Hα-helixtrans-63-42.717700000112.7F29 G30 S31 Y36 Y37F29-G33 PolarHBondContact O-N 3.32Å; G30-G33 PolarHBondContact O-N 3.44Å; S31-G33 VanDerWaalsContact C-N 3.34Å; G33-Y36 PolarHBondContact O-N 2.93Å; G33-Y37 VanDerWaalsContact O-CB 3.23Å; G33-Y37 WeakPolarHBondContact O-CB 3.49Å; G33-Y37 PolarHBondContact O-N 2.8Å
34C82.3Confident79.5Confident88 Ų8895.6 Ų95.660%0.59551%0.509SS*.Hα-helixtrans-64.1-40.1173.1-76.80000112G30 S31 Y37 S38G30-C34 WeakPolarHBondContact O-CB 3.43Å; G30-C34 PolarHBondContact O-N 3.37Å; G30-C34 PolarHBondContact O-SG 3.3Å; G30-C34 VanDerWaalsContact O-SG 3.33Å; S31-C34 PolarHBondContact O-N 3.04Å; C34-Y37 PolarHBondContact O-N 2.81Å; C34-S38 VanDerWaalsContact O-CB 3.29Å; C34-S38 WeakPolarHBondContact O-CB 3.46Å; C34-S38 PolarHBondContact O-N 2.86Å
35F81.1Confident77.6Confident141 Ų14198.2 Ų98.262%0.61852%0.517SS*.Hα-helixtrans-64.3-48.3175.2-175-93.7000110.9S31 I32 Y37 S38 H39S31-F35 WeakPolarHBondContact O-CB 3.36Å; S31-F35 PolarHBondContact O-N 3.17Å; I32-F35 PolarHBondContact O-N 3.29Å; F35-Y37 PolarHBondContact O-N 3.46Å; F35-S38 PolarHBondContact O-N 2.79Å; F35-H39 WeakPolarHBondContact O-CB 3.27Å; F35-H39 PolarHBondContact O-N 3.17Å
36Y81.4Confident75.7Confident156 Ų15698.5 Ų98.561%0.61252%0.518SS*.Hα-helixtrans-61.4-42.4175.2-109.1-84.3000112I32 G33 H39 I40I32-Y36 HydrophobicContact CG2-CD2 4.12Å; I32-Y36 WeakPolarHBondContact O-CB 3.31Å; I32-Y36 PolarHBondContact O-N 3.49Å; G33-Y36 PolarHBondContact O-N 2.93Å; Y36-H39 PolarHBondContact O-N 2.75Å; Y36-I40 HydrophobicContact CD1-CD1 4.14Å; Y36-I40 VanDerWaalsContact O-CB 3.29Å; Y36-I40 WeakPolarHBondContact O-CB 3.45Å; Y36-I40 WeakPolarHBondContact O-CG1 3.26Å; Y36-I40 PolarHBondContact O-N 3.44Å
37Y79.4Confident73.6Confident151 Ų15196.3 Ų96.359%0.59251%0.507SS*.Hα-helixtrans-64.9-40.8175.9178.9-96.8000111.5G33 C34 F35 H39 K41G33-Y37 VanDerWaalsContact O-CB 3.23Å; G33-Y37 WeakPolarHBondContact O-CB 3.49Å; G33-Y37 PolarHBondContact O-N 2.8Å; C34-Y37 PolarHBondContact O-N 2.81Å; F35-Y37 PolarHBondContact O-N 3.46Å; Y37-H39 VanDerWaalsContact C-N 3.33Å; Y37-K41 HydrophobicContact CE1-CB 4.48Å; Y37-K41 HydrophobicContact CE1-CD 3.88Å; Y37-K41 WeakPolarHBondContact O-CA 3.43Å; Y37-K41 WeakPolarHBondContact O-CB 3.1Å; Y37-K41 PolarHBondContact O-N 3.11Å
38S71Confident71.4Confident81 Ų8197.1 Ų97.157%0.56650%0.503SS*.Hα-helixtrans-63.9-40.1174.2-1720000111.4C34 F35 G42C34-S38 VanDerWaalsContact O-CB 3.29Å; C34-S38 WeakPolarHBondContact O-CB 3.46Å; C34-S38 PolarHBondContact O-N 2.86Å; F35-S38 PolarHBondContact O-N 2.79Å; S38-G42 PolarHBondContact O-N 3.34Å
39H72.1Confident69.2Low119 Ų11996.6 Ų96.655%0.55150%0.501SS*.Hα-helixtrans-70.9-44178.6-146.2-75.8000111.4F35 Y36 Y37 G42 W43F35-H39 WeakPolarHBondContact O-CB 3.27Å; F35-H39 PolarHBondContact O-N 3.17Å; Y36-H39 PolarHBondContact O-N 2.75Å; Y37-H39 VanDerWaalsContact C-N 3.33Å; H39-G42 PolarHBondContact O-N 2.74Å; H39-W43 VanDerWaalsContact O-CB 3.27Å; H39-W43 WeakPolarHBondContact O-CB 3.34Å; H39-W43 PolarHBondContact O-N 3.08Å
40I72.8Confident66.9Low87 Ų8794 Ų9445%0.44650%0.496SS..Hα-helixtrans-64.4-42.9174-70.9166.7000109.9Y36 G42 W43 L44Y36-I40 HydrophobicContact CD1-CD1 4.14Å; Y36-I40 VanDerWaalsContact O-CB 3.29Å; Y36-I40 WeakPolarHBondContact O-CB 3.45Å; Y36-I40 WeakPolarHBondContact O-CG1 3.26Å; Y36-I40 PolarHBondContact O-N 3.44Å; I40-G42 VanDerWaalsContact C-N 3.35Å; I40-W43 CarbonylContact O-C 3.51Å; I40-W43 PolarHBondContact O-N 3.43Å; I40-L44 HydrophobicContact CG2-CD1 4.06Å; I40-L44 WeakPolarHBondContact O-CA 3.33Å; I40-L44 VanDerWaalsContact O-CB 3.28Å; I40-L44 WeakPolarHBondContact O-CB 3.44Å; I40-L44 PolarHBondContact O-N 2.75Å
41K67.2Low64.3Low113 Ų11398.6 Ų98.649%0.49151%0.508SS..Hα-helixtrans-67.1-36.9176.9-174.8177.9-178.6176.50111.5Y37 K45Y37-K41 HydrophobicContact CE1-CB 4.48Å; Y37-K41 HydrophobicContact CE1-CD 3.88Å; Y37-K41 WeakPolarHBondContact O-CA 3.43Å; Y37-K41 WeakPolarHBondContact O-CB 3.1Å; Y37-K41 PolarHBondContact O-N 3.11Å; K41-K45 VanDerWaalsContact O-CB 3.29Å; K41-K45 WeakPolarHBondContact O-CB 3.4Å; K41-K45 PolarHBondContact O-N 2.69Å
42G61Low62Low35 Ų3599.8 Ų99.836%0.36151%0.513SS..Hα-helixtrans-59-50.1169.100000110.6S38 H39 I40 K45 T46S38-G42 PolarHBondContact O-N 3.34Å; H39-G42 PolarHBondContact O-N 2.74Å; I40-G42 VanDerWaalsContact C-N 3.35Å; G42-K45 CarbonylContact O-C 3.58Å; G42-K45 WeakPolarHBondContact O-CB 3.45Å; G42-K45 PolarHBondContact O-N 3.48Å; G42-T46 PolarHBondContact O-N 3.42Å; G42-T46 PolarHBondContact O-OG1 3.44Å
43W60.9Low59.6Low167 Ų16799.9 Ų99.963%0.63351%0.514SS*.Hα-helixtrans-67.9-36.8179.4-148.967.5000113.3H39 I40 T46 I47H39-W43 VanDerWaalsContact O-CB 3.27Å; H39-W43 WeakPolarHBondContact O-CB 3.34Å; H39-W43 PolarHBondContact O-N 3.08Å; I40-W43 CarbonylContact O-C 3.51Å; I40-W43 PolarHBondContact O-N 3.43Å; W43-T46 CarbonylContact O-C 3.49Å; W43-T46 WeakPolarHBondContact O-CA 3.32Å; W43-T46 VanDerWaalsContact O-CB 3.26Å; W43-T46 WeakPolarHBondContact O-CB 3.38Å; W43-T46 PolarHBondContact O-N 3.46Å; W43-T46 VanDerWaalsContact O-N 3.17Å; W43-I47 HydrophobicContact CD2-CD1 4.04Å; W43-I47 HydrophobicContact CE3-CD1 3.42Å; W43-I47 VanDerWaalsContact CE3-CD1 3.42Å; W43-I47 HydrophobicContact CE3-CG1 4.48Å; W43-I47 HydrophobicContact CH2-CD1 3.94Å; W43-I47 HydrophobicContact CZ2-CD1 4.49Å; W43-I47 HydrophobicContact CZ3-CD1 3.37Å; W43-I47 WeakPolarHBondContact O-CG1 3.29Å; W43-I47 PolarHBondContact O-N 3.47Å
44L47.8Very low57.2Low89 Ų89102.3 Ų102.347%0.46651%0.514SS..Hα-helixtrans-70.9-36.7174-126.494000110.1I40 T46 I47 L48I40-L44 HydrophobicContact CG2-CD1 4.06Å; I40-L44 WeakPolarHBondContact O-CA 3.33Å; I40-L44 VanDerWaalsContact O-CB 3.28Å; I40-L44 WeakPolarHBondContact O-CB 3.44Å; I40-L44 PolarHBondContact O-N 2.75Å; L44-T46 VanDerWaalsContact C-N 3.28Å; L44-I47 PolarHBondContact O-N 3.23Å; L44-L48 HydrophobicContact CD2-CD1 3.98Å; L44-L48 HydrophobicContact CG-CD1 4.44Å; L44-L48 WeakPolarHBondContact O-CA 3.41Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.47Å; L44-L48 PolarHBondContact O-N 3.4Å
45K52.3Low55Low151 Ų151103.6 Ų103.666%0.65752%0.519SS*.Hα-helixtrans-62.4-39.1167.9-99.1-171.1170.2-169.70110.2K41 G42 C49K41-K45 VanDerWaalsContact O-CB 3.29Å; K41-K45 WeakPolarHBondContact O-CB 3.4Å; K41-K45 PolarHBondContact O-N 2.69Å; G42-K45 CarbonylContact O-C 3.58Å; G42-K45 WeakPolarHBondContact O-CB 3.45Å; G42-K45 PolarHBondContact O-N 3.48Å; K45-C49 WeakPolarHBondContact O-CA 3.28Å; K45-C49 WeakPolarHBondContact O-CB 3.43Å; K45-C49 PolarHBondContact O-N 3.05Å
46T50.8Low52.7Low81 Ų81102.9 Ų102.950%0.49753%0.531SS..Hα-helixtrans-62-47.9173.8-48.90000110.9G42 W43 L44 C49 V50G42-T46 PolarHBondContact O-N 3.42Å; G42-T46 PolarHBondContact O-OG1 3.44Å; W43-T46 CarbonylContact O-C 3.49Å; W43-T46 WeakPolarHBondContact O-CA 3.32Å; W43-T46 VanDerWaalsContact O-CB 3.26Å; W43-T46 WeakPolarHBondContact O-CB 3.38Å; W43-T46 PolarHBondContact O-N 3.46Å; W43-T46 VanDerWaalsContact O-N 3.17Å; L44-T46 VanDerWaalsContact C-N 3.28Å; T46-C49 PolarHBondContact O-N 3.34Å; T46-V50 WeakPolarHBondContact O-CB 3.47Å; T46-V50 WeakPolarHBondContact O-CG2 3.25Å; T46-V50 PolarHBondContact O-N 3.25Å
47I48.1Very low50.7Low61 Ų61100.1 Ų100.131%0.31353%0.527SS..Hα-helixtrans-69.1-43.7179.8-68.3169.9000112.1W43 L44 V50 E51W43-I47 HydrophobicContact CD2-CD1 4.04Å; W43-I47 HydrophobicContact CE3-CD1 3.42Å; W43-I47 VanDerWaalsContact CE3-CD1 3.42Å; W43-I47 HydrophobicContact CE3-CG1 4.48Å; W43-I47 HydrophobicContact CH2-CD1 3.94Å; W43-I47 HydrophobicContact CZ2-CD1 4.49Å; W43-I47 HydrophobicContact CZ3-CD1 3.37Å; W43-I47 WeakPolarHBondContact O-CG1 3.29Å; W43-I47 PolarHBondContact O-N 3.47Å; L44-I47 PolarHBondContact O-N 3.23Å; I47-V50 CarbonylContact O-C 3.51Å; I47-V50 WeakPolarHBondContact O-CA 3.41Å; I47-V50 VanDerWaalsContact O-CB 3.3Å; I47-V50 WeakPolarHBondContact O-CB 3.33Å; I47-V50 PolarHBondContact O-N 2.96Å; I47-V50 VanDerWaalsContact O-N 3.14Å; I47-E51 PolarHBondContact O-N 3.47Å
48L44.2Very low48.9Very low80 Ų80103.9 Ų103.942%0.41954%0.54SS..Hα-helixtrans-68.5-36.2176.5-80.2158.2000111L44 V50 E51 T52L44-L48 HydrophobicContact CD2-CD1 3.98Å; L44-L48 HydrophobicContact CG-CD1 4.44Å; L44-L48 WeakPolarHBondContact O-CA 3.41Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.47Å; L44-L48 PolarHBondContact O-N 3.4Å; L48-V50 VanDerWaalsContact C-N 3.25Å; L48-V50 PolarHBondContact O-N 3.49Å; L48-E51 PolarHBondContact O-N 3.4Å; L48-T52 HydrophobicContact CD2-CG2 4.41Å; L48-T52 WeakPolarHBondContact O-CB 3.31Å; L48-T52 WeakPolarHBondContact O-CG2 3.27Å; L48-T52 PolarHBondContact O-N 2.84Å; L48-T52 PolarHBondContact O-OG1 3.02Å
49C45.7Very low47.9Very low60 Ų60104.5 Ų104.541%0.40554%0.538SS..Hα-helixtrans-64.9-36171.2-160.60000110.3K45 T46 N53K45-C49 WeakPolarHBondContact O-CA 3.28Å; K45-C49 WeakPolarHBondContact O-CB 3.43Å; K45-C49 PolarHBondContact O-N 3.05Å; T46-C49 PolarHBondContact O-N 3.34Å; C49-N53 VanDerWaalsContact O-CB 3.31Å; C49-N53 WeakPolarHBondContact O-CB 3.32Å; C49-N53 PolarHBondContact O-N 3.31Å; C49-N53 PolarHBondContact SG-ND2 2.97Å
50V41.7Very low47.1Very low84 Ų84100.4 Ų100.451%0.50952%0.522SS..Hα-helixtrans-63.9-41.9170.3169.10000111T46 I47 L48 F54T46-V50 WeakPolarHBondContact O-CB 3.47Å; T46-V50 WeakPolarHBondContact O-CG2 3.25Å; T46-V50 PolarHBondContact O-N 3.25Å; I47-V50 CarbonylContact O-C 3.51Å; I47-V50 WeakPolarHBondContact O-CA 3.41Å; I47-V50 VanDerWaalsContact O-CB 3.3Å; I47-V50 WeakPolarHBondContact O-CB 3.33Å; I47-V50 PolarHBondContact O-N 2.96Å; I47-V50 VanDerWaalsContact O-N 3.14Å; L48-V50 VanDerWaalsContact C-N 3.25Å; L48-V50 PolarHBondContact O-N 3.49Å; V50-F54 HydrophobicContact CG1-CE2 4.17Å; V50-F54 WeakPolarHBondContact O-CD2 3.44Å; V50-F54 WeakPolarHBondContact O-CE2 3.25Å
51E33.1Very low46.2Very low134 Ų134101.2 Ų101.263%0.62652%0.523SS*.Hα-helixtrans-82.8-38.4-176.6-76.9-175.2159.700114.8I47 L48I47-E51 PolarHBondContact O-N 3.47Å; L48-E51 PolarHBondContact O-N 3.4Å
52T38.9Very low45.6Very low98 Ų9899.6 Ų99.660%0.60152%0.522SS*.Hα-helixtrans-85.6-20.6-175.763.20000113.5L48L48-T52 HydrophobicContact CD2-CG2 4.41Å; L48-T52 WeakPolarHBondContact O-CB 3.31Å; L48-T52 WeakPolarHBondContact O-CG2 3.27Å; L48-T52 PolarHBondContact O-N 2.84Å; L48-T52 PolarHBondContact O-OG1 3.02Å
53N36.2Very low45.5Very low85 Ų85100.6 Ų100.646%0.45552%0.519SS..THydrogen-bonded Turntrans-90.74.9172.8-68.7-7.3000113.3C49 V55 D91C49-N53 VanDerWaalsContact O-CB 3.31Å; C49-N53 WeakPolarHBondContact O-CB 3.32Å; C49-N53 PolarHBondContact O-N 3.31Å; C49-N53 PolarHBondContact SG-ND2 2.97Å; N53-V55 PolarHBondContact O-N 3.41Å; N53-D91 PolarHBondContact ND2-OD1 3.26Å
54F32.9Very low45.3Very low87 Ų8795.5 Ų95.538%0.38250%0.504SS..  trans-71.470.2156.4-83.2-71.5000109.5V50 S56 S60 F61V50-F54 HydrophobicContact CG1-CE2 4.17Å; V50-F54 WeakPolarHBondContact O-CD2 3.44Å; V50-F54 WeakPolarHBondContact O-CE2 3.25Å; F54-S56 PolarHBondContact O-N 3.45Å; F54-S60 WeakPolarHBondContact CE1-OG 3.49Å; F54-F61 HydrophobicContact CE1-CB 3.98Å; F54-F61 HydrophobicContact CE1-CD2 4.08Å; F54-F61 HydrophobicContact CZ-CB 4.49Å; F54-F61 AromaticContact CZ-CD2 3.74Å; F54-F61 HydrophobicContact CZ-CD2 3.74Å
55V35.6Very low45.5Very low116 Ų11694.2 Ų94.270%0.70350%0.496SS*.  trans-52.8127.4146.2177.10000105.7N53 D57N53-V55 PolarHBondContact O-N 3.41Å; V55-D57 PolarHBondContact O-N 2.94Å
56S34.4Very low46.1Very low125 Ų12594.3 Ų94.387%0.87449%0.492SS*.SBendtrans-62.732.4-165.8-49.90000116.8F54 R58F54-S56 PolarHBondContact O-N 3.45Å; S56-R58 PolarHBondContact O-N 2.69Å
57D39.7Very low46.4Very low98 Ų9891.2 Ų91.252%0.52447%0.473SS..  trans-88.9107175.4-148-8.8000109.2V55 N59 S60V55-D57 PolarHBondContact O-N 2.94Å; D57-N59 PolarHBondContact O-N 3.03Å; D57-S60 PolarHBondContact O-N 2.88Å; D57-S60 PolarHBondContact O-OG 3.23Å
58R40.5Very low46.7Very low230 Ų23091.3 Ų91.387%0.86848%0.477SS*.THydrogen-bonded Turntrans-51.9-19.7179.7-85.9-179.9169.3179.7-2.9113.4S56S56-R58 PolarHBondContact O-N 2.69Å
59N51.1Low46.9Very low95 Ų9594.3 Ų94.351%0.50849%0.486SS..Hα-helixtrans-70.1-29.8177.3-62.6-25.4000113.1D57 F61 T62 D63D57-N59 PolarHBondContact O-N 3.03Å; N59-F61 PolarHBondContact O-N 3.2Å; N59-T62 WeakPolarHBondContact CA-OG1 3.46Å; N59-T62 PolarHBondContact O-N 2.99Å; N59-T62 PolarHBondContact O-OG1 2.58Å; N59-D63 WeakPolarHBondContact O-CB 3.29Å; N59-D63 PolarHBondContact O-N 2.89Å; N59-D63 VanDerWaalsContact O-OD2 3.08Å
60S54Low47Very low32 Ų3294.2 Ų94.222%0.22449%0.485CS..Hα-helixtrans-66.6-36.7-173.7780000113.5F54 D57 L64F54-S60 WeakPolarHBondContact CE1-OG 3.49Å; D57-S60 PolarHBondContact O-N 2.88Å; D57-S60 PolarHBondContact O-OG 3.23Å; S60-L64 VanDerWaalsContact O-CB 3.29Å; S60-L64 WeakPolarHBondContact O-CB 3.3Å; S60-L64 PolarHBondContact O-N 3.36Å
61F53.2Low47.4Very low105 Ų105100.8 Ų100.846%0.46150%0.501SS..Hα-helixtrans-72.8-37.9179.4-170.1-108.1000112.1F54 N59 Q65F54-F61 HydrophobicContact CE1-CB 3.98Å; F54-F61 HydrophobicContact CE1-CD2 4.08Å; F54-F61 HydrophobicContact CZ-CB 4.49Å; F54-F61 AromaticContact CZ-CD2 3.74Å; F54-F61 HydrophobicContact CZ-CD2 3.74Å; N59-F61 PolarHBondContact O-N 3.2Å; F61-Q65 HydrophobicContact CD1-CG 4.38Å; F61-Q65 HydrophobicContact CE1-CG 4.18Å; F61-Q65 HydrophobicContact CZ-CG 4.4Å; F61-Q65 VanDerWaalsContact CZ-NE2 3.27Å; F61-Q65 WeakPolarHBondContact O-CB 3.49Å; F61-Q65 WeakPolarHBondContact O-CG 3.25Å; F61-Q65 PolarHBondContact O-N 3.45Å
62T56.4Low48.7Very low79 Ų79100 Ų10049%0.48550%0.501SS..Hα-helixtrans-67.4-39.8175.445.90000111.2N59 Q65 R66N59-T62 WeakPolarHBondContact CA-OG1 3.46Å; N59-T62 PolarHBondContact O-N 2.99Å; N59-T62 PolarHBondContact O-OG1 2.58Å; T62-Q65 PolarHBondContact O-N 3.09Å; T62-R66 WeakPolarHBondContact O-CB 3.44Å; T62-R66 PolarHBondContact O-N 3.37Å
63D58.5Low50.7Low55 Ų5597 Ų9729%0.29448%0.48SS..Hα-helixtrans-66.9-45.1177.1-64.7-20.5000111.2N59 Q65 R66 V67 L87N59-D63 WeakPolarHBondContact O-CB 3.29Å; N59-D63 PolarHBondContact O-N 2.89Å; N59-D63 VanDerWaalsContact O-OD2 3.08Å; D63-Q65 VanDerWaalsContact C-N 3.33Å; D63-Q65 PolarHBondContact O-N 2.94Å; D63-R66 WeakPolarHBondContact O-CB 3.47Å; D63-R66 PolarHBondContact O-N 3.39Å; D63-R66 VanDerWaalsContact O-N 3.15Å; D63-V67 PolarHBondContact O-N 2.88Å; D63-L87 HydrophobicContact CB-CD1 4.03Å; D63-L87 HydrophobicContact CB-CD2 4.06Å
64L55.5Low53.2Low61 Ų6199.1 Ų99.132%0.31949%0.487SS..Hα-helixtrans-59.9-44.3174.4-166.680.3000110.9S60 R66 V67 T68 L95S60-L64 VanDerWaalsContact O-CB 3.29Å; S60-L64 WeakPolarHBondContact O-CB 3.3Å; S60-L64 PolarHBondContact O-N 3.36Å; L64-R66 VanDerWaalsContact C-N 3.34Å; L64-R66 PolarHBondContact O-N 3.27Å; L64-V67 PolarHBondContact O-N 2.78Å; L64-T68 HydrophobicContact CG-CG2 4.37Å; L64-T68 VanDerWaalsContact O-CB 3.31Å; L64-T68 WeakPolarHBondContact O-CB 3.46Å; L64-T68 VanDerWaalsContact O-CG2 3.31Å; L64-T68 WeakPolarHBondContact O-CG2 3.27Å; L64-T68 PolarHBondContact O-N 3.32Å; L64-T68 PolarHBondContact O-OG1 3.23Å; L64-L95 HydrophobicContact CD1-CD2 4.1Å
65Q53.9Low56Low61 Ų6198.4 Ų98.429%0.28549%0.491SS..Hα-helixtrans-64.1-36.6175.5-79.3-165.61.300112.6F61 T62 D63 K69F61-Q65 HydrophobicContact CD1-CG 4.38Å; F61-Q65 HydrophobicContact CE1-CG 4.18Å; F61-Q65 HydrophobicContact CZ-CG 4.4Å; F61-Q65 VanDerWaalsContact CZ-NE2 3.27Å; F61-Q65 WeakPolarHBondContact O-CB 3.49Å; F61-Q65 WeakPolarHBondContact O-CG 3.25Å; F61-Q65 PolarHBondContact O-N 3.45Å; T62-Q65 PolarHBondContact O-N 3.09Å; D63-Q65 VanDerWaalsContact C-N 3.33Å; D63-Q65 PolarHBondContact O-N 2.94Å; Q65-K69 HydrophobicContact CB-CD 4.19Å; Q65-K69 HydrophobicContact CG-CD 4.43Å; Q65-K69 WeakPolarHBondContact O-CA 3.4Å; Q65-K69 WeakPolarHBondContact O-CB 3.4Å; Q65-K69 WeakPolarHBondContact O-CG 3.34Å; Q65-K69 PolarHBondContact O-N 3.23Å
66R63.7Low58.8Low153 Ų15393.3 Ų93.358%0.57746%0.46SS*.Hα-helixtrans-62.4-49.4177.3-176.3-177.2175.5179.8-3.9111T62 D63 L64 C70T62-R66 WeakPolarHBondContact O-CB 3.44Å; T62-R66 PolarHBondContact O-N 3.37Å; D63-R66 WeakPolarHBondContact O-CB 3.47Å; D63-R66 PolarHBondContact O-N 3.39Å; D63-R66 VanDerWaalsContact O-N 3.15Å; L64-R66 VanDerWaalsContact C-N 3.34Å; L64-R66 PolarHBondContact O-N 3.27Å; R66-C70 WeakPolarHBondContact O-CB 3.36Å; R66-C70 PolarHBondContact O-N 3.4Å
67V56.9Low61.7Low16 Ų1689.4 Ų89.410%0.09743%0.433CS..Hα-helixtrans-72.1-35.4-178.9-174.70000111.9D63 L64 L87 L95D63-V67 PolarHBondContact O-N 2.88Å; L64-V67 PolarHBondContact O-N 2.78Å; V67-L87 HydrophobicContact CG2-CD2 3.91Å; V67-L95 HydrophobicContact CB-CD1 4.1Å; V67-L95 HydrophobicContact CB-CD2 4.19Å; V67-L95 HydrophobicContact CG1-CB 4.24Å; V67-L95 HydrophobicContact CG1-CD1 4.02Å; V67-L95 HydrophobicContact CG1-CD2 3.9Å; V67-L95 HydrophobicContact CG1-CG 4.28Å; V67-L95 HydrophobicContact CG2-CD1 4.18Å
68T53.7Low64.2Low64 Ų6484.9 Ų84.939%0.39341%0.409SS..Hα-helixtrans-87.4-30.1-176.958.30000115L64 L95L64-T68 HydrophobicContact CG-CG2 4.37Å; L64-T68 VanDerWaalsContact O-CB 3.31Å; L64-T68 WeakPolarHBondContact O-CB 3.46Å; L64-T68 VanDerWaalsContact O-CG2 3.31Å; L64-T68 WeakPolarHBondContact O-CG2 3.27Å; L64-T68 PolarHBondContact O-N 3.32Å; L64-T68 PolarHBondContact O-OG1 3.23Å; T68-L95 HydrophobicContact CG2-CD2 3.94Å
69K49.6Very low66.6Low143 Ų14379.7 Ų79.762%0.62240%0.399SS*.Hα-helixtrans-82.6-30.5178.4-69.7179.9173171.30112.7Q65 R71Q65-K69 HydrophobicContact CB-CD 4.19Å; Q65-K69 HydrophobicContact CG-CD 4.43Å; Q65-K69 WeakPolarHBondContact O-CA 3.4Å; Q65-K69 WeakPolarHBondContact O-CB 3.4Å; Q65-K69 WeakPolarHBondContact O-CG 3.34Å; Q65-K69 PolarHBondContact O-N 3.23Å; K69-R71 VanDerWaalsContact C-N 3.29Å; K69-R71 PolarHBondContact O-N 3.43Å
70C46.7Very low68.6Low57 Ų5778.6 Ų78.639%0.38539%0.393SS..  trans-76.983.4170-75.90000109.1R66 D72R66-C70 WeakPolarHBondContact O-CB 3.36Å; R66-C70 PolarHBondContact O-N 3.4Å; C70-D72 CarbonylContact O-C 3.58Å; C70-D72 PolarHBondContact O-N 2.81Å; C70-D72 VanDerWaalsContact O-N 3.15Å
71R51.3Low70.4Confident222 Ų22277.1 Ų77.184%0.83838%0.382SS*.  trans-58.6-17.5166.3-83.2-176.2163.1-173.5-5.4112.8K69 F73K69-R71 VanDerWaalsContact C-N 3.29Å; K69-R71 PolarHBondContact O-N 3.43Å; R71-F73 PolarHBondContact O-N 3.35Å
72D59.3Low72.1Confident118 Ų11872.8 Ų72.863%0.63137%0.365SS*.SBendtrans-82.895.3166.2-57.5-29.6000106.9C70 Q74C70-D72 CarbonylContact O-C 3.58Å; C70-D72 PolarHBondContact O-N 2.81Å; C70-D72 VanDerWaalsContact O-N 3.15Å; D72-Q74 HydrophobicContact CB-CG 4.19Å; D72-Q74 WeakPolarHBondContact O-CG 3.46Å; D72-Q74 PolarHBondContact O-N 3.45Å
73F82.5Confident73.6Confident34 Ų3471.3 Ų71.315%0.14936%0.361CS..  trans-62.581.4171.5-60.5-79.3000109.2R71 E99 S102 F357R71-F73 PolarHBondContact O-N 3.35Å; F73-E99 HydrophobicContact CD1-CB 3.97Å; F73-E99 HydrophobicContact CD1-CG 3.51Å; F73-E99 HydrophobicContact CE1-CB 3.58Å; F73-E99 HydrophobicContact CE1-CG 3.64Å; F73-E99 HydrophobicContact CG-CG 4.01Å; F73-E99 HydrophobicContact CZ-CB 4.16Å; F73-E99 HydrophobicContact CZ-CG 4.24Å; F73-S102 VanDerWaalsContact CE2-CB 3.46Å; F73-F357 HydrophobicContact CB-CB 3.61Å; F73-F357 HydrophobicContact CB-CD1 3.8Å; F73-F357 HydrophobicContact CB-CD2 4.11Å; F73-F357 HydrophobicContact CB-CG 3.56Å; F73-F357 AromaticContact CD2-CD1 3.82Å; F73-F357 HydrophobicContact CD2-CD1 3.82Å; F73-F357 AromaticContact CD2-CD2 3.57Å; F73-F357 HydrophobicContact CD2-CD2 3.57Å; F73-F357 AromaticContact CD2-CE1 3.74Å; F73-F357 HydrophobicContact CD2-CE1 3.74Å; F73-F357 AromaticContact CD2-CE2 3.47Å; F73-F357 HydrophobicContact CD2-CE2 3.47Å; F73-F357 VanDerWaalsContact CD2-CE2 3.47Å; F73-F357 AromaticContact CD2-CG 3.75Å; F73-F357 HydrophobicContact CD2-CG 3.75Å; F73-F357 AromaticContact CD2-CZ 3.56Å; F73-F357 HydrophobicContact CD2-CZ 3.56Å; F73-F357 HydrophobicContact CE2-CD2 4.15Å; F73-F357 AromaticContact CE2-CE2 3.71Å; F73-F357 HydrophobicContact CE2-CE2 3.71Å; F73-F357 AromaticContact CE2-CZ 3.92Å; F73-F357 HydrophobicContact CE2-CZ 3.92Å; F73-F357 HydrophobicContact CG-CB 4.28Å; F73-F357 HydrophobicContact CG-CD1 4.2Å; F73-F357 AromaticContact CG-CD2 3.88Å; F73-F357 HydrophobicContact CG-CD2 3.88Å; F73-F357 HydrophobicContact CG-CE2 4.25Å; F73-F357 AromaticContact CG-CG 3.85Å; F73-F357 HydrophobicContact CG-CG 3.85Å
74Q86.9Confident75.1Confident130 Ų13069.8 Ų69.861%0.60735%0.352SS*.PPolyproline II helixtrans-71.5158.1-170.3-79.6-178.9-7.700112.3D72 T76D72-Q74 HydrophobicContact CB-CG 4.19Å; D72-Q74 WeakPolarHBondContact O-CG 3.46Å; D72-Q74 PolarHBondContact O-N 3.45Å; Q74-T76 PolarHBondContact O-N 3.26Å
75P93.3Very high76.8Confident72 Ų7267.2 Ų67.247%0.46834%0.338SS..PPolyproline II helixtrans-52.2135.6172.1-22.931.1000111.7C353 V354 D355P75-C353 HydrophobicContact CB-CB 4.49Å; P75-V354 CarbonylContact C-O 3.59Å; P75-V354 WeakPolarHBondContact CA-O 3.43Å; P75-D355 HydrophobicContact CB-CB 4.23Å; P75-D355 HydrophobicContact CG-CB 4.07Å
76T93.9Very high78.4Confident10 Ų1066.3 Ų66.36%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-97.9133.2178.9-58.60000109.4Q74 D80 L81 E84 C353 V354Q74-T76 PolarHBondContact O-N 3.26Å; T76-D80 HydrophobicContact CG2-CB 4.26Å; T76-L81 HydrophobicContact CG2-CD2 3.94Å; T76-L81 HydrophobicContact CG2-CG 4.32Å; T76-E84 HydrophobicContact CG2-CB 4.02Å; T76-E84 HydrophobicContact CG2-CG 3.72Å; T76-C353 CarbonylContact O-C 3.58Å; T76-C353 WeakPolarHBondContact O-CA 3.49Å; T76-C353 VanDerWaalsContact O-CB 3.31Å; T76-C353 WeakPolarHBondContact O-CB 3.42Å; T76-V354 PolarHBondContact N-O 2.78Å; T76-V354 PolarHBondContact O-N 2.84Å
77S95.4Very high79.6Confident42 Ų4260 Ų6029%0.29431%0.313SS..EExtended strand (participates in β ladder)trans-57.4140.1172.2179.40000110.1D79 D80 L81S77-D79 PolarHBondContact O-N 3.26Å; S77-D80 WeakPolarHBondContact CB-OD2 3.37Å; S77-D80 PolarHBondContact O-N 2.78Å; S77-L81 PolarHBondContact O-N 3.35Å
78A92.6Very high81.2Confident4 Ų460.1 Ų60.13%0.03331%0.311CS..G310 helixtrans-58.4-38.3178.700000111.6D80 L81 I348 G352 H388A78-D80 VanDerWaalsContact C-N 3.28Å; A78-D80 PolarHBondContact O-N 2.66Å; A78-L81 HydrophobicContact CB-CD1 4.46Å; A78-L81 WeakPolarHBondContact O-CB 3.48Å; A78-L81 PolarHBondContact O-N 3.44Å; A78-I348 HydrophobicContact CB-CG1 4.43Å; A78-I348 HydrophobicContact CB-CG2 3.84Å; A78-G352 WeakPolarHBondContact CB-O 3.34Å; A78-G352 PolarHBondContact N-O 3.01Å; A78-H388 PolarHBondContact O-CD2 3.36Å; A78-H388 PolarHBondContact O-NE2 2.98Å
79D90.8Very high82.8Confident121 Ų12158.7 Ų58.765%0.64730%0.3SS*.G310 helixtrans-64.8-30.5176.9-66.9-31.4000113.4S77 P82 H388S77-D79 PolarHBondContact O-N 3.26Å; D79-P82 WeakPolarHBondContact O-CD 3.41Å; D79-H388 WeakPolarHBondContact CA-NE2 3.48Å; D79-H388 PolarHBondContact N-NE2 2.83Å; D79-H388 IonicContact OD1-CE1 2.74Å; D79-H388 PolarHBondContact OD1-CE1 3.05Å; D79-H388 IonicContact OD1-NE2 3.61Å; D79-H388 PolarHBondContact OD1-NE2 2.87Å
80D91.5Very high84.4Confident72 Ų7258.3 Ų58.339%0.38530%0.295SS..G310 helixtrans-84.2-13.8179.7-66.8-30.3000112.1T76 S77 A78 P82 A83 E84T76-D80 HydrophobicContact CG2-CB 4.26Å; S77-D80 WeakPolarHBondContact CB-OD2 3.37Å; S77-D80 PolarHBondContact O-N 2.78Å; A78-D80 VanDerWaalsContact C-N 3.28Å; A78-D80 PolarHBondContact O-N 2.66Å; D80-P82 VanDerWaalsContact C-CD 3.49Å; D80-A83 PolarHBondContact O-N 3.05Å; D80-E84 HydrophobicContact CB-CG 4.03Å; D80-E84 WeakPolarHBondContact O-CB 3.18Å; D80-E84 WeakPolarHBondContact O-CG 3.35Å; D80-E84 PolarHBondContact O-N 3.19Å
81L91.8Very high86.2Confident0 Ų059.8 Ų59.80%030%0.299CS..Hα-helixtrans-52.7-44.6-174.7-79.3170000114.5T76 S77 A78 A83 E84 Y85 I348 V354 Y381 L384 A385T76-L81 HydrophobicContact CG2-CD2 3.94Å; T76-L81 HydrophobicContact CG2-CG 4.32Å; S77-L81 PolarHBondContact O-N 3.35Å; A78-L81 HydrophobicContact CB-CD1 4.46Å; A78-L81 WeakPolarHBondContact O-CB 3.48Å; A78-L81 PolarHBondContact O-N 3.44Å; L81-A83 VanDerWaalsContact C-N 3.35Å; L81-A83 PolarHBondContact O-N 3.26Å; L81-E84 PolarHBondContact O-N 2.94Å; L81-Y85 VanDerWaalsContact O-CB 3.24Å; L81-Y85 WeakPolarHBondContact O-CB 3.25Å; L81-Y85 PolarHBondContact O-N 3.33Å; L81-I348 HydrophobicContact CD1-CD1 3.83Å; L81-V354 HydrophobicContact CD1-CG1 3.79Å; L81-V354 HydrophobicContact CD2-CG1 3.41Å; L81-V354 VanDerWaalsContact CD2-CG1 3.41Å; L81-V354 HydrophobicContact CG-CG1 3.96Å; L81-Y381 HydrophobicContact CD2-CD1 4.11Å; L81-Y381 HydrophobicContact CD2-CE1 4.33Å; L81-L384 HydrophobicContact CD1-CB 4.22Å; L81-A385 HydrophobicContact CB-CB 3.93Å
82P89.3Confident87.8Confident14 Ų1454.7 Ų54.79%0.09130%0.297CS..Hα-helixtrans-62.7-42.2178.3-24.437.5000112.3D79 D80 L86 A385 M389 L439D79-P82 WeakPolarHBondContact O-CD 3.41Å; D80-P82 VanDerWaalsContact C-CD 3.49Å; P82-L86 VanDerWaalsContact O-CG 3.29Å; P82-L86 WeakPolarHBondContact O-CG 3.35Å; P82-L86 PolarHBondContact O-N 3.37Å; P82-L86 VanDerWaalsContact O-N 3.11Å; P82-A385 HydrophobicContact CG-CB 4.44Å; P82-M389 HydrophobicContact CB-CE 4.22Å; P82-M389 HydrophobicContact CB-CG 4.13Å; P82-M389 HydrophobicContact CB-SD 3.72Å; P82-M389 HydrophobicContact CG-CE 4.46Å; P82-M389 HydrophobicContact CG-CG 3.37Å; P82-M389 HydrophobicContact CG-SD 3.58Å; P82-M389 VanDerWaalsContact CG-SD 3.58Å; P82-L439 HydrophobicContact CB-CD2 4.26Å
83A88Confident89.2Confident48 Ų4850.3 Ų50.340%0.39727%0.274SS..Hα-helixtrans-69.6-4317900000111.4D80 L81 L86 L87D80-A83 PolarHBondContact O-N 3.05Å; L81-A83 VanDerWaalsContact C-N 3.35Å; L81-A83 PolarHBondContact O-N 3.26Å; A83-L86 PolarHBondContact O-N 3.38Å; A83-L87 WeakPolarHBondContact O-CB 3.47Å; A83-L87 PolarHBondContact O-N 2.91Å
84E90.4Very high89.5Confident24 Ų2453.6 Ų53.611%0.11229%0.288CS..Hα-helixtrans-68.5-34.5179.3-71-75127.700112.2T76 D80 L81 R88T76-E84 HydrophobicContact CG2-CB 4.02Å; T76-E84 HydrophobicContact CG2-CG 3.72Å; D80-E84 HydrophobicContact CB-CG 4.03Å; D80-E84 WeakPolarHBondContact O-CB 3.18Å; D80-E84 WeakPolarHBondContact O-CG 3.35Å; D80-E84 PolarHBondContact O-N 3.19Å; L81-E84 PolarHBondContact O-N 2.94Å; E84-R88 WeakPolarHBondContact O-CB 3.33Å; E84-R88 WeakPolarHBondContact O-CG 3.39Å; E84-R88 PolarHBondContact O-N 3.21Å; E84-R88 PolarHBondContact O-NH1 2.95Å; E84-R88 VanDerWaalsContact O-NH1 3.1Å; E84-R88 IonicContact OE2-CZ 3.24Å; E84-R88 IonicContact OE2-NH1 3.08Å; E84-R88 PolarHBondContact OE2-NH1 2.89Å; E84-R88 IonicContact OE2-NH2 3.7Å; E84-R88 PolarHBondContact OE2-NH2 3.44Å
85Y91.1Very high89.7Confident7 Ų747.9 Ų47.93%0.02726%0.262CS..Hα-helixtrans-61.1-54.2169.3171.9-89.1000110.3L81 L87 R88 H89 F96 V378 K382 L439L81-Y85 VanDerWaalsContact O-CB 3.24Å; L81-Y85 WeakPolarHBondContact O-CB 3.25Å; L81-Y85 PolarHBondContact O-N 3.33Å; Y85-L87 VanDerWaalsContact C-N 3.29Å; Y85-L87 PolarHBondContact O-N 3.3Å; Y85-R88 PolarHBondContact O-N 3.47Å; Y85-R88 VanDerWaalsContact O-N 3.14Å; Y85-H89 HydrophobicContact CE1-CB 4.42Å; Y85-H89 AromaticContact CZ-ND1 3.93Å; Y85-H89 VanDerWaalsContact O-CB 3.24Å; Y85-H89 WeakPolarHBondContact O-CB 3.37Å; Y85-H89 PolarHBondContact O-N 3.32Å; Y85-F96 HydrophobicContact CD2-CE2 4.18Å; Y85-F96 AromaticContact CD2-CZ 3.79Å; Y85-F96 HydrophobicContact CD2-CZ 3.79Å; Y85-F96 HydrophobicContact CE2-CE2 4.34Å; Y85-F96 HydrophobicContact CE2-CZ 4.29Å; Y85-F96 HydrophobicContact CG-CZ 4.49Å; Y85-V378 HydrophobicContact CE2-CG1 3.83Å; Y85-K382 HydrophobicContact CD2-CB 4.21Å; Y85-K382 HydrophobicContact CE2-CB 3.59Å; Y85-K382 HydrophobicContact CE2-CG 4.16Å; Y85-L439 HydrophobicContact CD1-CB 3.97Å; Y85-L439 HydrophobicContact CD1-CD1 4.11Å; Y85-L439 HydrophobicContact CD1-CD2 3.76Å; Y85-L439 HydrophobicContact CD1-CG 4.15Å; Y85-L439 HydrophobicContact CE1-CB 3.63Å; Y85-L439 HydrophobicContact CE1-CD1 4.47Å; Y85-L439 HydrophobicContact CE1-CD2 4.28Å; Y85-L439 HydrophobicContact CE1-CG 4.33Å; Y85-L439 VanDerWaalsContact CE1-O 3.31Å; Y85-L439 WeakPolarHBondContact CE1-O 3.42Å; Y85-L439 HydrophobicContact CG-CD1 4.28Å; Y85-L439 HydrophobicContact CG-CD2 4.49Å; Y85-L439 PolarHBondContact OH-O 2.94Å; Y85-L439 VanDerWaalsContact OH-O 3.13Å
86L88.3Confident89.8Confident42 Ų4244.5 Ų44.522%0.2224%0.24CC..Hα-helixtrans-61.6-38.9-178.8-70.9172.8000111.7P82 A83 H89 R90 L436 L439P82-L86 VanDerWaalsContact O-CG 3.29Å; P82-L86 WeakPolarHBondContact O-CG 3.35Å; P82-L86 PolarHBondContact O-N 3.37Å; P82-L86 VanDerWaalsContact O-N 3.11Å; A83-L86 PolarHBondContact O-N 3.38Å; L86-H89 PolarHBondContact O-N 2.94Å; L86-R90 WeakPolarHBondContact O-CG 3.27Å; L86-R90 PolarHBondContact O-N 3.43Å; L86-L436 HydrophobicContact CD1-CD1 3.34Å; L86-L436 HydrophobicContact CD1-CD2 4.49Å; L86-L436 HydrophobicContact CD1-CG 3.61Å; L86-L439 HydrophobicContact CD2-CD2 4.33Å; L86-L439 HydrophobicContact CG-CD2 4.16Å
87L88.2Confident89.8Confident21 Ų2145.8 Ų45.811%0.1125%0.248CC..Hα-helixtrans-61.2-47.4174.5177.563000111.3D63 V67 A83 Y85 H89 R90 L95D63-L87 HydrophobicContact CB-CD1 4.03Å; D63-L87 HydrophobicContact CB-CD2 4.06Å; V67-L87 HydrophobicContact CG2-CD2 3.91Å; A83-L87 WeakPolarHBondContact O-CB 3.47Å; A83-L87 PolarHBondContact O-N 2.91Å; Y85-L87 VanDerWaalsContact C-N 3.29Å; Y85-L87 PolarHBondContact O-N 3.3Å; L87-H89 VanDerWaalsContact C-N 3.32Å; L87-H89 PolarHBondContact O-N 2.93Å; L87-R90 WeakPolarHBondContact O-CB 3.36Å; L87-R90 PolarHBondContact O-N 3.41Å; L87-L95 HydrophobicContact CG-CD1 4.18Å
88R90.5Very high89.7Confident17 Ų1746.2 Ų46.26%0.06425%0.249CC..Hα-helixtrans-71.2-27.4-179.2-82163.2-17264.6-5.6114.3E84 Y85 R90 L95 F96 E99E84-R88 WeakPolarHBondContact O-CB 3.33Å; E84-R88 WeakPolarHBondContact O-CG 3.39Å; E84-R88 PolarHBondContact O-N 3.21Å; E84-R88 PolarHBondContact O-NH1 2.95Å; E84-R88 VanDerWaalsContact O-NH1 3.1Å; E84-R88 IonicContact OE2-CZ 3.24Å; E84-R88 IonicContact OE2-NH1 3.08Å; E84-R88 PolarHBondContact OE2-NH1 2.89Å; E84-R88 IonicContact OE2-NH2 3.7Å; E84-R88 PolarHBondContact OE2-NH2 3.44Å; Y85-R88 PolarHBondContact O-N 3.47Å; Y85-R88 VanDerWaalsContact O-N 3.14Å; R88-R90 VanDerWaalsContact C-N 3.31Å; R88-L95 HydrophobicContact CB-CB 4.18Å; R88-L95 HydrophobicContact CG-CB 3.79Å; R88-L95 HydrophobicContact CG-CD1 4.42Å; R88-F96 VanDerWaalsContact C-CD2 3.45Å; R88-F96 HydrophobicContact CB-CD1 3.77Å; R88-F96 HydrophobicContact CB-CD2 3.54Å; R88-F96 HydrophobicContact CB-CE1 3.63Å; R88-F96 HydrophobicContact CB-CE2 3.41Å; R88-F96 VanDerWaalsContact CB-CE2 3.41Å; R88-F96 HydrophobicContact CB-CG 3.71Å; R88-F96 HydrophobicContact CB-CZ 3.45Å; R88-F96 VanDerWaalsContact CB-CZ 3.45Å; R88-F96 HydrophobicContact CG-CD1 4.24Å; R88-F96 HydrophobicContact CG-CE1 4.17Å; R88-F96 HydrophobicContact CG-CZ 4.4Å; R88-F96 WeakPolarHBondContact O-CD2 3.24Å; R88-E99 IonicContact NE-OE2 3.99Å; R88-E99 PolarHBondContact NE-OE2 3.37Å
89H87.8Confident89.8Confident34 Ų3446.1 Ų46.116%0.15725%0.247CC..Hα-helixtrans-75.3-19-179.9-160.380.6000113.1Y85 L86 L87 N93 F96 D441Y85-H89 HydrophobicContact CE1-CB 4.42Å; Y85-H89 AromaticContact CZ-ND1 3.93Å; Y85-H89 VanDerWaalsContact O-CB 3.24Å; Y85-H89 WeakPolarHBondContact O-CB 3.37Å; Y85-H89 PolarHBondContact O-N 3.32Å; L86-H89 PolarHBondContact O-N 2.94Å; L87-H89 VanDerWaalsContact C-N 3.32Å; L87-H89 PolarHBondContact O-N 2.93Å; H89-N93 WeakPolarHBondContact CA-OD1 3.47Å; H89-N93 PolarHBondContact CE1-OD1 2.63Å; H89-N93 PolarHBondContact ND1-OD1 3.27Å; H89-N93 PolarHBondContact O-N 2.78Å; H89-N93 PolarHBondContact O-OD1 2.88Å; H89-F96 HydrophobicContact CB-CE2 4.03Å; H89-D441 IonicContact CD2-OD1 3.39Å; H89-D441 PolarHBondContact CD2-OD1 2.87Å; H89-D441 IonicContact CE1-OD1 2.66Å; H89-D441 IonicContact CE1-OD2 2.79Å; H89-D441 IonicContact NE2-OD1 3.59Å; H89-D441 PolarHBondContact NE2-OD1 3.4Å; H89-D441 IonicContact NE2-OD2 3.99Å; H89-D441 PolarHBondContact NE2-OD2 3.28Å
90R83.7Confident90Very high136 Ų13642 Ų4251%0.51322%0.224SC..Hα-helixtrans-58158.1176.1-73.1172.9-175.5178.11.5112.3L86 L87 R88 S92 N93 F94L86-R90 WeakPolarHBondContact O-CG 3.27Å; L86-R90 PolarHBondContact O-N 3.43Å; L87-R90 WeakPolarHBondContact O-CB 3.36Å; L87-R90 PolarHBondContact O-N 3.41Å; R88-R90 VanDerWaalsContact C-N 3.31Å; R90-S92 VanDerWaalsContact C-N 3.28Å; R90-S92 PolarHBondContact O-N 2.8Å; R90-N93 PolarHBondContact O-N 3.11Å; R90-F94 PolarHBondContact O-N 2.75Å
91D84Confident90.1Very high87 Ų8745.4 Ų45.447%0.46524%0.237SC..Hα-helixtrans52.243.1175.9-58.4-57.9000113.5N53 F94N53-D91 PolarHBondContact ND2-OD1 3.26Å; D91-F94 HydrophobicContact CB-CB 4.16Å
92S84.4Confident90.2Very high116 Ų11648.1 Ų48.181%0.81126%0.256SS*.Hα-helixtrans6151-177.4-490000113.1R90 F94R90-S92 VanDerWaalsContact C-N 3.28Å; R90-S92 PolarHBondContact O-N 2.8Å; S92-F94 VanDerWaalsContact C-N 3.31Å; S92-F94 PolarHBondContact O-N 2.83Å
93N88.9Confident90.5Very high26 Ų2647.6 Ų47.614%0.13925%0.253CS..Hα-helixtrans61.832.4178.8-62.1-31.7000113.8H89 R90 L95 F96 T97 L374H89-N93 WeakPolarHBondContact CA-OD1 3.47Å; H89-N93 PolarHBondContact CE1-OD1 2.63Å; H89-N93 PolarHBondContact ND1-OD1 3.27Å; H89-N93 PolarHBondContact O-N 2.78Å; H89-N93 PolarHBondContact O-OD1 2.88Å; R90-N93 PolarHBondContact O-N 3.11Å; N93-L95 PolarHBondContact O-N 2.99Å; N93-F96 HydrophobicContact CB-CB 4.11Å; N93-F96 HydrophobicContact CB-CD2 4.3Å; N93-F96 PolarHBondContact O-N 3.24Å; N93-T97 WeakPolarHBondContact O-CB 3.45Å; N93-T97 PolarHBondContact O-N 2.95Å; N93-T97 PolarHBondContact O-OG1 2.86Å; N93-L374 HydrophobicContact CB-CD2 4.26Å
94F89.9Confident90.7Very high103 Ų10347.1 Ų47.145%0.45225%0.246SC..Hα-helixtrans-56.5-50.1-175.2173.7-105.2000112.1R90 D91 S92 T97 V98R90-F94 PolarHBondContact O-N 2.75Å; D91-F94 HydrophobicContact CB-CB 4.16Å; S92-F94 VanDerWaalsContact C-N 3.31Å; S92-F94 PolarHBondContact O-N 2.83Å; F94-T97 WeakPolarHBondContact O-CB 3.4Å; F94-T97 PolarHBondContact O-N 3.05Å; F94-V98 HydrophobicContact CE1-CG2 4.19Å; F94-V98 HydrophobicContact CE2-CG2 4.17Å; F94-V98 HydrophobicContact CZ-CG2 3.94Å; F94-V98 WeakPolarHBondContact O-CG2 3.44Å; F94-V98 PolarHBondContact O-N 3.49Å
95L90.9Very high90.6Very high10 Ų1052.1 Ų52.15%0.05227%0.269CS..Hα-helixtrans-71-37.2-178.6-63.7174000112.1L64 V67 T68 L87 R88 N93 T97 V98 E99L64-L95 HydrophobicContact CD1-CD2 4.1Å; V67-L95 HydrophobicContact CB-CD1 4.1Å; V67-L95 HydrophobicContact CB-CD2 4.19Å; V67-L95 HydrophobicContact CG1-CB 4.24Å; V67-L95 HydrophobicContact CG1-CD1 4.02Å; V67-L95 HydrophobicContact CG1-CD2 3.9Å; V67-L95 HydrophobicContact CG1-CG 4.28Å; V67-L95 HydrophobicContact CG2-CD1 4.18Å; T68-L95 HydrophobicContact CG2-CD2 3.94Å; L87-L95 HydrophobicContact CG-CD1 4.18Å; R88-L95 HydrophobicContact CB-CB 4.18Å; R88-L95 HydrophobicContact CG-CB 3.79Å; R88-L95 HydrophobicContact CG-CD1 4.42Å; N93-L95 PolarHBondContact O-N 2.99Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 3.29Å; L95-V98 PolarHBondContact O-N 2.92Å; L95-E99 WeakPolarHBondContact O-CB 3.36Å; L95-E99 PolarHBondContact O-N 2.63Å
96F94.4Very high90.6Very high0 Ų054.6 Ų54.60%028%0.279CS..Hα-helixtrans-60.6-37.3171-78.6-54.4000112.1Y85 R88 H89 N93 E99 F100 L374 Y377 V378 Y381Y85-F96 HydrophobicContact CD2-CE2 4.18Å; Y85-F96 AromaticContact CD2-CZ 3.79Å; Y85-F96 HydrophobicContact CD2-CZ 3.79Å; Y85-F96 HydrophobicContact CE2-CE2 4.34Å; Y85-F96 HydrophobicContact CE2-CZ 4.29Å; Y85-F96 HydrophobicContact CG-CZ 4.49Å; R88-F96 VanDerWaalsContact C-CD2 3.45Å; R88-F96 HydrophobicContact CB-CD1 3.77Å; R88-F96 HydrophobicContact CB-CD2 3.54Å; R88-F96 HydrophobicContact CB-CE1 3.63Å; R88-F96 HydrophobicContact CB-CE2 3.41Å; R88-F96 VanDerWaalsContact CB-CE2 3.41Å; R88-F96 HydrophobicContact CB-CG 3.71Å; R88-F96 HydrophobicContact CB-CZ 3.45Å; R88-F96 VanDerWaalsContact CB-CZ 3.45Å; R88-F96 HydrophobicContact CG-CD1 4.24Å; R88-F96 HydrophobicContact CG-CE1 4.17Å; R88-F96 HydrophobicContact CG-CZ 4.4Å; R88-F96 WeakPolarHBondContact O-CD2 3.24Å; H89-F96 HydrophobicContact CB-CE2 4.03Å; N93-F96 HydrophobicContact CB-CB 4.11Å; N93-F96 HydrophobicContact CB-CD2 4.3Å; N93-F96 PolarHBondContact O-N 3.24Å; F96-E99 PolarHBondContact O-N 3.07Å; F96-F100 WeakPolarHBondContact O-CB 3.41Å; F96-F100 PolarHBondContact O-N 3.36Å; F96-L374 HydrophobicContact CB-CD1 3.91Å; F96-L374 WeakPolarHBondContact O-CD1 3.22Å; F96-Y377 HydrophobicContact CD1-CD1 4.42Å; F96-V378 HydrophobicContact CB-CG2 3.88Å; F96-V378 HydrophobicContact CD1-CG2 4.2Å; F96-V378 HydrophobicContact CD2-CB 4.45Å; F96-V378 HydrophobicContact CD2-CG1 4.18Å; F96-V378 HydrophobicContact CD2-CG2 3.65Å; F96-V378 HydrophobicContact CE2-CB 4.5Å; F96-V378 HydrophobicContact CE2-CG1 3.9Å; F96-V378 HydrophobicContact CE2-CG2 4.16Å; F96-V378 HydrophobicContact CG-CG2 3.67Å; F96-V378 HydrophobicContact CZ-CG1 4.34Å; F96-Y381 HydrophobicContact CD1-CD2 4.37Å; F96-Y381 HydrophobicContact CE1-CD1 4.31Å; F96-Y381 AromaticContact CE1-CD2 3.56Å; F96-Y381 HydrophobicContact CE1-CD2 3.56Å; F96-Y381 HydrophobicContact CE1-CE2 4.04Å; F96-Y381 AromaticContact CE1-CG 3.71Å; F96-Y381 HydrophobicContact CE1-CG 3.71Å; F96-Y381 HydrophobicContact CZ-CD2 4.41Å; F96-Y381 HydrophobicContact CZ-CG 4.16Å
97T94Very high90.5Very high38 Ų3860.3 Ų60.323%0.23331%0.309CS..Hα-helixtrans-64.5-48.6176.9-57.20000110.3N93 F94 L95 E99 F100 E101 L374N93-T97 WeakPolarHBondContact O-CB 3.45Å; N93-T97 PolarHBondContact O-N 2.95Å; N93-T97 PolarHBondContact O-OG1 2.86Å; F94-T97 WeakPolarHBondContact O-CB 3.4Å; F94-T97 PolarHBondContact O-N 3.05Å; L95-T97 VanDerWaalsContact C-N 3.26Å; L95-T97 PolarHBondContact O-N 3.29Å; T97-E99 VanDerWaalsContact C-N 3.32Å; T97-E99 PolarHBondContact O-N 2.91Å; T97-F100 PolarHBondContact O-N 2.88Å; T97-E101 HydrophobicContact CG2-CG 4.2Å; T97-E101 VanDerWaalsContact O-CB 3.31Å; T97-E101 WeakPolarHBondContact O-CB 3.09Å; T97-E101 VanDerWaalsContact O-CG 3.3Å; T97-E101 WeakPolarHBondContact O-CG 3.4Å; T97-E101 PolarHBondContact O-N 2.69Å; T97-L374 WeakPolarHBondContact OG1-CD2 3.43Å
98V93.2Very high90.7Very high51 Ų5163.4 Ų63.431%0.30932%0.322SS..Hα-helixtrans-57.2-45.6176.8172.30000111.3F94 L95 S102F94-V98 HydrophobicContact CE1-CG2 4.19Å; F94-V98 HydrophobicContact CE2-CG2 4.17Å; F94-V98 HydrophobicContact CZ-CG2 3.94Å; F94-V98 WeakPolarHBondContact O-CG2 3.44Å; F94-V98 PolarHBondContact O-N 3.49Å; L95-V98 PolarHBondContact O-N 2.92Å; V98-S102 WeakPolarHBondContact O-CB 3.45Å; V98-S102 PolarHBondContact O-N 3.02Å; V98-S102 VanDerWaalsContact O-N 3.15Å; V98-S102 PolarHBondContact O-OG 3.43Å
99E93.9Very high91Very high2 Ų268 Ų681%0.00935%0.348CS..Hα-helixtrans-66.2-47.4179.1-175.3174.9158.400112.2F73 R88 L95 F96 T97 S102 L103 F357 Y377 Y381F73-E99 HydrophobicContact CD1-CB 3.97Å; F73-E99 HydrophobicContact CD1-CG 3.51Å; F73-E99 HydrophobicContact CE1-CB 3.58Å; F73-E99 HydrophobicContact CE1-CG 3.64Å; F73-E99 HydrophobicContact CG-CG 4.01Å; F73-E99 HydrophobicContact CZ-CB 4.16Å; F73-E99 HydrophobicContact CZ-CG 4.24Å; R88-E99 IonicContact NE-OE2 3.99Å; R88-E99 PolarHBondContact NE-OE2 3.37Å; L95-E99 WeakPolarHBondContact O-CB 3.36Å; L95-E99 PolarHBondContact O-N 2.63Å; F96-E99 PolarHBondContact O-N 3.07Å; T97-E99 VanDerWaalsContact C-N 3.32Å; T97-E99 PolarHBondContact O-N 2.91Å; E99-S102 WeakPolarHBondContact O-CB 3.44Å; E99-S102 PolarHBondContact O-N 3.31Å; E99-L103 PolarHBondContact O-N 3.42Å; E99-F357 HydrophobicContact CG-CD2 3.83Å; E99-F357 WeakPolarHBondContact O-CE2 3.4Å; E99-Y377 HydrophobicContact CG-CE1 3.96Å; E99-Y377 PolarHBondContact OE1-OH 2.92Å; E99-Y381 PolarHBondContact OE1-OH 2.76Å
100F95.1Very high91.4Very high34 Ų3467.5 Ų67.515%0.14935%0.347CS..Hα-helixtrans-65.1-41.5179.8179.8-103.8000112.9F96 T97 S102 L103 S373 L374 Y377F96-F100 WeakPolarHBondContact O-CB 3.41Å; F96-F100 PolarHBondContact O-N 3.36Å; T97-F100 PolarHBondContact O-N 2.88Å; F100-S102 PolarHBondContact O-N 3.43Å; F100-L103 HydrophobicContact CD2-CD1 3.6Å; F100-L103 HydrophobicContact CE2-CD1 3.98Å; F100-L103 HydrophobicContact CG-CD1 4.4Å; F100-L103 VanDerWaalsContact O-CB 3.31Å; F100-L103 WeakPolarHBondContact O-CB 3.41Å; F100-L103 WeakPolarHBondContact O-CG 3.39Å; F100-L103 PolarHBondContact O-N 2.77Å; F100-S373 VanDerWaalsContact CZ-C 3.49Å; F100-L374 HydrophobicContact CB-CD1 3.77Å; F100-L374 HydrophobicContact CD1-CB 4.26Å; F100-L374 HydrophobicContact CD1-CD1 4.39Å; F100-L374 HydrophobicContact CG-CD1 4.13Å; F100-Y377 HydrophobicContact CB-CD1 4.35Å; F100-Y377 HydrophobicContact CB-CG 4.43Å; F100-Y377 HydrophobicContact CD2-CD1 4.46Å; F100-Y377 AromaticContact CD2-CD2 3.86Å; F100-Y377 HydrophobicContact CD2-CD2 3.86Å; F100-Y377 AromaticContact CD2-CG 3.73Å; F100-Y377 HydrophobicContact CD2-CG 3.73Å
101E94.3Very high92.1Very high143 Ų14365.3 Ų65.367%0.66835%0.349SS*.Hα-helixtrans-68.1-23.9175.7-71.6-178.4169.500112.3T97 L103T97-E101 HydrophobicContact CG2-CG 4.2Å; T97-E101 VanDerWaalsContact O-CB 3.31Å; T97-E101 WeakPolarHBondContact O-CB 3.09Å; T97-E101 VanDerWaalsContact O-CG 3.3Å; T97-E101 WeakPolarHBondContact O-CG 3.4Å; T97-E101 PolarHBondContact O-N 2.69Å; E101-L103 VanDerWaalsContact C-N 3.27Å; E101-L103 PolarHBondContact O-N 3.39Å
102S94.6Very high92.7Very high58 Ų5861.5 Ų61.541%0.40633%0.329SS..THydrogen-bonded Turntrans-78.3-9175.2-60.80000113.5F73 V98 E99 F100F73-S102 VanDerWaalsContact CE2-CB 3.46Å; V98-S102 WeakPolarHBondContact O-CB 3.45Å; V98-S102 PolarHBondContact O-N 3.02Å; V98-S102 VanDerWaalsContact O-N 3.15Å; V98-S102 PolarHBondContact O-OG 3.43Å; E99-S102 WeakPolarHBondContact O-CB 3.44Å; E99-S102 PolarHBondContact O-N 3.31Å; F100-S102 PolarHBondContact O-N 3.43Å
103L94.4Very high93.2Very high3 Ų356.1 Ų56.12%0.01629%0.291CS..SBendtrans-61.9132.6177.7-74.3168.9000110.8E99 F100 E101 H105 F357 V360 S361 R364 Y377E99-L103 PolarHBondContact O-N 3.42Å; F100-L103 HydrophobicContact CD2-CD1 3.6Å; F100-L103 HydrophobicContact CE2-CD1 3.98Å; F100-L103 HydrophobicContact CG-CD1 4.4Å; F100-L103 VanDerWaalsContact O-CB 3.31Å; F100-L103 WeakPolarHBondContact O-CB 3.41Å; F100-L103 WeakPolarHBondContact O-CG 3.39Å; F100-L103 PolarHBondContact O-N 2.77Å; E101-L103 VanDerWaalsContact C-N 3.27Å; E101-L103 PolarHBondContact O-N 3.39Å; L103-H105 PolarHBondContact O-ND1 2.97Å; L103-F357 HydrophobicContact CD2-CD2 3.66Å; L103-F357 HydrophobicContact CD2-CE2 3.72Å; L103-F357 HydrophobicContact CD2-CG 4.33Å; L103-F357 HydrophobicContact CD2-CZ 4.41Å; L103-F357 HydrophobicContact CG-CD2 4.23Å; L103-F357 HydrophobicContact CG-CE2 4.05Å; L103-V360 HydrophobicContact CD1-CG1 3.8Å; L103-V360 HydrophobicContact CD2-CB 4.14Å; L103-V360 HydrophobicContact CD2-CG1 3.98Å; L103-S361 WeakPolarHBondContact CD2-OG 3.36Å; L103-R364 VanDerWaalsContact CB-NH1 3.27Å; L103-Y377 HydrophobicContact CD1-CD2 3.97Å; L103-Y377 HydrophobicContact CD1-CE2 3.81Å; L103-Y377 HydrophobicContact CD2-CE2 4.34Å; L103-Y377 HydrophobicContact CG-CE2 4.45Å
104P92.1Very high93.6Very high38 Ų3859 Ų5925%0.24731%0.307CS..  trans-66.5147.3-177.827.2-34.5000112Y106 S361 R364P104-Y106 HydrophobicContact CB-CD2 4.44Å; P104-Y106 HydrophobicContact CB-CE2 3.7Å; P104-Y106 HydrophobicContact CG-CE2 3.51Å; P104-Y106 WeakPolarHBondContact CG-OH 3.17Å; P104-S361 WeakPolarHBondContact CD-OG 3.25Å; P104-R364 WeakPolarHBondContact O-CD 3.33Å
105H88.5Confident93.9Very high128 Ų12857 Ų5759%0.59330%0.301SS*.  trans-108.3122.1169.2-65.679.9000108.3L103L103-H105 PolarHBondContact O-ND1 2.97Å
106Y90.9Very high94.1Very high60 Ų6061.8 Ų61.824%0.23533%0.332CS..  trans-103.5132.6179.4-61.3-85.5000110.3P104 F108 F130 S361 R364 R365P104-Y106 HydrophobicContact CB-CD2 4.44Å; P104-Y106 HydrophobicContact CB-CE2 3.7Å; P104-Y106 HydrophobicContact CG-CE2 3.51Å; P104-Y106 WeakPolarHBondContact CG-OH 3.17Å; Y106-F108 AromaticContact CD1-CE2 3.96Å; Y106-F108 HydrophobicContact CD1-CE2 3.96Å; Y106-F108 HydrophobicContact CD1-CZ 4.12Å; Y106-F108 AromaticContact CG-CE2 3.89Å; Y106-F108 HydrophobicContact CG-CE2 3.89Å; Y106-F130 WeakPolarHBondContact O-CZ 3.48Å; Y106-S361 WeakPolarHBondContact CE2-O 3.3Å; Y106-R364 HydrophobicContact CD2-CB 4.13Å; Y106-R364 WeakPolarHBondContact CD2-O 3.27Å; Y106-R364 HydrophobicContact CE2-CB 4.3Å; Y106-R365 HydrophobicContact CD1-CG 3.89Å; Y106-R365 HydrophobicContact CD2-CB 4.34Å; Y106-R365 HydrophobicContact CD2-CG 3.63Å; Y106-R365 HydrophobicContact CE1-CG 3.5Å; Y106-R365 HydrophobicContact CE2-CB 4.25Å; Y106-R365 HydrophobicContact CE2-CG 3.21Å; Y106-R365 HydrophobicContact CG-CG 3.94Å; Y106-R365 PolarHBondContact OH-NH1 2.79Å
107N87Confident94Very high162 Ų16267.6 Ų67.687%0.86636%0.359SS*.  trans-111.168.8177.6-65.6-23000109
108F93.1Very high94.1Very high86 Ų8666.2 Ų66.238%0.37735%0.35SS..  trans-79.4162.9170.3-65.1-66.3000110.9Y106 T110 F130 V132 R365Y106-F108 AromaticContact CD1-CE2 3.96Å; Y106-F108 HydrophobicContact CD1-CE2 3.96Å; Y106-F108 HydrophobicContact CD1-CZ 4.12Å; Y106-F108 AromaticContact CG-CE2 3.89Å; Y106-F108 HydrophobicContact CG-CE2 3.89Å; F108-T110 PolarHBondContact O-N 3.08Å; F108-F130 HydrophobicContact CB-CB 4.29Å; F108-F130 HydrophobicContact CB-CD1 3.74Å; F108-F130 HydrophobicContact CB-CD2 4.36Å; F108-F130 HydrophobicContact CB-CE1 4.07Å; F108-F130 HydrophobicContact CB-CG 3.91Å; F108-F130 AromaticContact CD2-CD2 3.89Å; F108-F130 HydrophobicContact CD2-CD2 3.89Å; F108-F130 HydrophobicContact CD2-CE1 4.47Å; F108-F130 AromaticContact CD2-CE2 3.78Å; F108-F130 HydrophobicContact CD2-CE2 3.78Å; F108-F130 HydrophobicContact CD2-CG 4.3Å; F108-F130 HydrophobicContact CD2-CZ 4.08Å; F108-V132 HydrophobicContact CB-CG2 4.49Å; F108-R365 HydrophobicContact CE2-CB 4.34Å; F108-R365 WeakPolarHBondContact CE2-O 3.4Å
109D96.2Very high94.2Very high114 Ų11466.2 Ų66.261%0.6136%0.356SS*.  trans-59.4135179.7-66.8-28.5000112.1V111 F130 D131D109-V111 HydrophobicContact CB-CG2 4.36Å; D109-F130 CarbonylContact O-C 3.6Å; D109-F130 WeakPolarHBondContact O-CA 3.5Å; D109-D131 PolarHBondContact O-N 3.24Å
110T96.3Very high94.2Very high23 Ų2369.5 Ų69.514%0.14138%0.379CS..  trans-12729.7177.657.30000111.4F108 A112 S113 D114 K128 F130F108-T110 PolarHBondContact O-N 3.08Å; T110-A112 VanDerWaalsContact C-N 3.28Å; T110-A112 PolarHBondContact O-N 3.27Å; T110-S113 WeakPolarHBondContact O-CB 3.02Å; T110-S113 PolarHBondContact O-N 2.86Å; T110-D114 PolarHBondContact O-N 2.97Å; T110-D114 VanDerWaalsContact O-N 3.09Å; T110-D114 PolarHBondContact OG1-OD2 3.1Å; T110-K128 HydrophobicContact CG2-CB 3.63Å; T110-K128 HydrophobicContact CG2-CD 4.29Å; T110-K128 WeakPolarHBondContact OG1-CD 3.42Å; T110-F130 HydrophobicContact CG2-CD1 3.84Å; T110-F130 HydrophobicContact CG2-CE1 4.37Å
111V97.3Very high94.2Very high90 Ų9069 Ų6955%0.54538%0.377SS..Hα-helixtrans-54.5-44.6-172.2-179.30000110.7D109 S113 D114 L115 D131D109-V111 HydrophobicContact CB-CG2 4.36Å; V111-S113 VanDerWaalsContact C-N 3.34Å; V111-S113 PolarHBondContact O-N 2.84Å; V111-D114 PolarHBondContact O-N 2.85Å; V111-D114 VanDerWaalsContact O-N 3.13Å; V111-L115 PolarHBondContact O-N 2.78Å; V111-D131 WeakPolarHBondContact CA-OD2 3.41Å; V111-D131 VanDerWaalsContact CB-OD2 3.28Å; V111-D131 WeakPolarHBondContact CB-OD2 3.4Å; V111-D131 PolarHBondContact N-OD2 3.01Å
112A96.4Very high94.3Very high6 Ų663 Ų635%0.0535%0.35CS..Hα-helixtrans-64.6-36.9179.300000112.9T110 D114 N118 D131 Y151T110-A112 VanDerWaalsContact C-N 3.28Å; T110-A112 PolarHBondContact O-N 3.27Å; A112-D114 VanDerWaalsContact C-N 3.25Å; A112-D114 PolarHBondContact O-N 2.66Å; A112-N118 WeakPolarHBondContact O-CB 3.3Å; A112-N118 PolarHBondContact O-ND2 3.39Å; A112-D131 WeakPolarHBondContact CB-OD1 3.44Å; A112-D131 PolarHBondContact N-OD1 2.85Å; A112-D131 PolarHBondContact N-OD2 2.86Å; A112-Y151 HydrophobicContact CB-CD2 3.8Å; A112-Y151 HydrophobicContact CB-CE2 4.24Å
113S96.7Very high94.3Very high3 Ų362.6 Ų62.62%0.02134%0.339CS..Hα-helixtrans-66-29.7174.7-66.40000112.8T110 V111 N122 A129 Y151T110-S113 WeakPolarHBondContact O-CB 3.02Å; T110-S113 PolarHBondContact O-N 2.86Å; V111-S113 VanDerWaalsContact C-N 3.34Å; V111-S113 PolarHBondContact O-N 2.84Å; S113-N122 PolarHBondContact O-ND2 3.44Å; S113-A129 PolarHBondContact OG-N 2.86Å; S113-A129 PolarHBondContact OG-O 2.82Å; S113-Y151 WeakPolarHBondContact CA-OH 3.4Å; S113-Y151 WeakPolarHBondContact CB-OH 3.49Å; S113-Y151 WeakPolarHBondContact OG-CE2 3.39Å; S113-Y151 PolarHBondContact OG-OH 3.4Å
114D96.4Very high94.2Very high86 Ų8665.2 Ų65.246%0.4635%0.349SS..Hα-helixtrans-88.2-7.4-176-72.2-43000114.2T110 V111 A112 K128T110-D114 PolarHBondContact O-N 2.97Å; T110-D114 VanDerWaalsContact O-N 3.09Å; T110-D114 PolarHBondContact OG1-OD2 3.1Å; V111-D114 PolarHBondContact O-N 2.85Å; V111-D114 VanDerWaalsContact O-N 3.13Å; A112-D114 VanDerWaalsContact C-N 3.25Å; A112-D114 PolarHBondContact O-N 2.66Å; D114-K128 VanDerWaalsContact CG-NZ 3.35Å; D114-K128 WeakPolarHBondContact OD1-CD 3.41Å; D114-K128 WeakPolarHBondContact OD1-CE 3.3Å; D114-K128 IonicContact OD1-NZ 3.02Å; D114-K128 PolarHBondContact OD1-NZ 3.24Å; D114-K128 IonicContact OD2-NZ 2.75Å; D114-K128 PolarHBondContact OD2-NZ 3.43Å
115L96.2Very high94.3Very high63 Ų6369.8 Ų69.833%0.3337%0.371SS..SBendtrans-62.6131.5175.3-73.9174.1000111V111 E117 N118 A119V111-L115 PolarHBondContact O-N 2.78Å; L115-E117 VanDerWaalsContact C-N 3.25Å; L115-E117 HydrophobicContact CB-CG 4.26Å; L115-E117 PolarHBondContact O-N 3.28Å; L115-N118 HydrophobicContact CB-CB 4.32Å; L115-N118 WeakPolarHBondContact O-CA 3.44Å; L115-N118 WeakPolarHBondContact O-CB 3.16Å; L115-N118 PolarHBondContact O-N 2.81Å; L115-A119 PolarHBondContact O-N 2.8Å
116P95Very high94.4Very high109 Ų10968.2 Ų68.271%0.70837%0.368SS*.G310 helixtrans-54.2-37.9-178.7-27.935.3000114.2N118 A119P116-N118 PolarHBondContact O-N 3.33Å; P116-A119 WeakPolarHBondContact O-CB 3.13Å; P116-A119 PolarHBondContact O-N 3.38Å
117E93.3Very high94.6Very high123 Ų12365.5 Ų65.558%0.57536%0.357SS*.G310 helixtrans-66.5-19.7177.261.9-92.6-146.500113.8L115L115-E117 VanDerWaalsContact C-N 3.25Å; L115-E117 HydrophobicContact CB-CG 4.26Å; L115-E117 PolarHBondContact O-N 3.28Å
118N95.5Very high95Very high8 Ų860.4 Ų60.44%0.04333%0.327CS..G310 helixtrans-98.8-3.9179.3-69.9-29.9000113.1A112 L115 P116 S120 K121 N122 Y151A112-N118 WeakPolarHBondContact O-CB 3.3Å; A112-N118 PolarHBondContact O-ND2 3.39Å; L115-N118 HydrophobicContact CB-CB 4.32Å; L115-N118 WeakPolarHBondContact O-CA 3.44Å; L115-N118 WeakPolarHBondContact O-CB 3.16Å; L115-N118 PolarHBondContact O-N 2.81Å; P116-N118 PolarHBondContact O-N 3.33Å; N118-S120 VanDerWaalsContact C-N 3.33Å; N118-S120 PolarHBondContact O-N 2.96Å; N118-K121 WeakPolarHBondContact O-CA 3.48Å; N118-K121 WeakPolarHBondContact O-CB 3.5Å; N118-K121 PolarHBondContact O-N 2.83Å; N118-N122 PolarHBondContact O-N 2.9Å; N118-N122 PolarHBondContact O-ND2 3.27Å; N118-Y151 HydrophobicContact CB-CD1 3.49Å; N118-Y151 VanDerWaalsContact CB-CD1 3.49Å; N118-Y151 HydrophobicContact CB-CE1 3.87Å; N118-Y151 HydrophobicContact CB-CG 4.02Å; N118-Y151 VanDerWaalsContact CG-CB 3.47Å; N118-Y151 VanDerWaalsContact CG-CD1 3.43Å; N118-Y151 VanDerWaalsContact ND2-CB 3.31Å; N118-Y151 WeakPolarHBondContact ND2-CB 3.22Å; N118-Y151 WeakPolarHBondContact OD1-CB 3.31Å
119A94.4Very high95.2Very high51 Ų5156.3 Ų56.342%0.42131%0.309SS..G310 helixtrans-57.7-42.8-177.400000112.6L115 P116 K121 N122L115-A119 PolarHBondContact O-N 2.8Å; P116-A119 WeakPolarHBondContact O-CB 3.13Å; P116-A119 PolarHBondContact O-N 3.38Å; A119-K121 PolarHBondContact O-N 3.4Å; A119-N122 PolarHBondContact O-N 2.9Å
120S93.7Very high95.2Very high72 Ų7251.1 Ų51.150%0.50328%0.281SS..G310 helixtrans-68.2-18.3176.157.70000113.6N118 N122N118-S120 VanDerWaalsContact C-N 3.33Å; N118-S120 PolarHBondContact O-N 2.96Å; S120-N122 VanDerWaalsContact C-N 3.32Å
121K95.5Very high95.3Very high24 Ų2451.7 Ų51.710%0.10428%0.283CS..G310 helixtrans-84.4-7.4176.4-57.8-171.5174.9-1530112.9N118 A119 Y151 Q170 T176 D179N118-K121 WeakPolarHBondContact O-CA 3.48Å; N118-K121 WeakPolarHBondContact O-CB 3.5Å; N118-K121 PolarHBondContact O-N 2.83Å; A119-K121 PolarHBondContact O-N 3.4Å; K121-Y151 HydrophobicContact CB-CD1 3.9Å; K121-Y151 HydrophobicContact CB-CE1 3.95Å; K121-Y151 HydrophobicContact CD-CD1 3.95Å; K121-Y151 WeakPolarHBondContact CD-O 3.49Å; K121-Y151 PolarHBondContact NZ-O 2.65Å; K121-Q170 PolarHBondContact O-NE2 2.93Å; K121-T176 HydrophobicContact CB-CG2 3.98Å; K121-T176 HydrophobicContact CG-CG2 4.3Å; K121-D179 WeakPolarHBondContact CE-OD2 3.33Å; K121-D179 IonicContact NZ-OD2 2.61Å; K121-D179 PolarHBondContact NZ-OD2 3.22Å
122N96.2Very high95.3Very high17 Ų1752.3 Ų52.39%0.09129%0.287CS..  trans-97122172.7-63.1-40.6000109.6S113 N118 A119 S120 Y124 Y151 N153S113-N122 PolarHBondContact O-ND2 3.44Å; N118-N122 PolarHBondContact O-N 2.9Å; N118-N122 PolarHBondContact O-ND2 3.27Å; A119-N122 PolarHBondContact O-N 2.9Å; S120-N122 VanDerWaalsContact C-N 3.32Å; N122-Y124 VanDerWaalsContact C-N 3.31Å; N122-Y151 WeakPolarHBondContact OD1-CE1 3.42Å; N122-Y151 PolarHBondContact OD1-OH 3.34Å; N122-N153 PolarHBondContact OD1-ND2 2.8Å
123R94.6Very high95.4Very high49 Ų4953.6 Ų53.619%0.18529%0.294CS..SBendtrans-66.6-37.4172.7176.3-177.7-74.9-80.5-1.5111.6G171 P172 T173 M223 S329R123-G171 PolarHBondContact NE-O 3.04Å; R123-G171 PolarHBondContact NH2-O 2.94Å; R123-P172 VanDerWaalsContact NH2-C 3.33Å; R123-P172 PolarHBondContact NH2-O 2.63Å; R123-T173 HydrophobicContact CB-CG2 4.05Å; R123-T173 HydrophobicContact CG-CG2 4.4Å; R123-M223 PolarHBondContact NH1-O 3.3Å; R123-S329 WeakPolarHBondContact CD-O 3.46Å
124Y93.9Very high95.4Very high58 Ų5854.7 Ų54.723%0.22730%0.298CS..SBendtrans-130.1131.3-179.1-58.7-73.8000109.2N122 D126 I127 S329 A330N122-Y124 VanDerWaalsContact C-N 3.31Å; Y124-D126 WeakPolarHBondContact CB-OD1 3.44Å; Y124-D126 PolarHBondContact O-N 3.2Å; Y124-I127 HydrophobicContact CD2-CG1 4.27Å; Y124-I127 HydrophobicContact CG-CG1 4.33Å; Y124-I127 PolarHBondContact O-N 3.47Å; Y124-S329 PolarHBondContact OH-OG 3.25Å; Y124-A330 HydrophobicContact CD2-CB 3.78Å; Y124-A330 HydrophobicContact CE2-CB 3.8Å
125N92.4Very high95.5Very high133 Ų13350.6 Ų50.671%0.71128%0.276SS*.THydrogen-bonded Turntrans-67.6-25.2-174.3-65.5-17.6000113.3K128N125-K128 VanDerWaalsContact O-CE 3.32Å; N125-K128 WeakPolarHBondContact O-CE 3.23Å
126D90.8Very high95.6Very high96 Ų9653.1 Ų53.151%0.51328%0.284SS..THydrogen-bonded Turntrans-89.9-13.5-179.960.7-36.6000113.2Y124 F369Y124-D126 WeakPolarHBondContact CB-OD1 3.44Å; Y124-D126 PolarHBondContact O-N 3.2Å; D126-F369 WeakPolarHBondContact O-CE2 3.36Å
127I95Very high95.6Very high2 Ų248.1 Ų48.11%0.0125%0.252CS..  trans-99.396.9178.9-53.1-59.2000109.6Y124 N153 A330 V332 F369Y124-I127 HydrophobicContact CD2-CG1 4.27Å; Y124-I127 HydrophobicContact CG-CG1 4.33Å; Y124-I127 PolarHBondContact O-N 3.47Å; I127-N153 PolarHBondContact O-ND2 2.9Å; I127-A330 HydrophobicContact CG1-CB 4.02Å; I127-A330 HydrophobicContact CG2-CB 4.34Å; I127-A330 WeakPolarHBondContact CG2-O 3.4Å; I127-V332 HydrophobicContact CD1-CG2 4.2Å; I127-V332 HydrophobicContact CG2-CG1 3.77Å; I127-F369 HydrophobicContact CD1-CD2 3.74Å; I127-F369 HydrophobicContact CD1-CE2 4.38Å; I127-F369 HydrophobicContact CD1-CG 4.48Å
128K95.4Very high95.6Very high55 Ų5549.3 Ų49.324%0.23926%0.255CS..  trans-113.3144.6-173.7-58.4-177.1-171.6-179.30111.3T110 D114 N125 N368T110-K128 HydrophobicContact CG2-CB 3.63Å; T110-K128 HydrophobicContact CG2-CD 4.29Å; T110-K128 WeakPolarHBondContact OG1-CD 3.42Å; D114-K128 VanDerWaalsContact CG-NZ 3.35Å; D114-K128 WeakPolarHBondContact OD1-CD 3.41Å; D114-K128 WeakPolarHBondContact OD1-CE 3.3Å; D114-K128 IonicContact OD1-NZ 3.02Å; D114-K128 PolarHBondContact OD1-NZ 3.24Å; D114-K128 IonicContact OD2-NZ 2.75Å; D114-K128 PolarHBondContact OD2-NZ 3.43Å; N125-K128 VanDerWaalsContact O-CE 3.32Å; N125-K128 WeakPolarHBondContact O-CE 3.23Å; K128-N368 PolarHBondContact N-ND2 2.88Å; K128-N368 PolarHBondContact O-ND2 3.41Å; K128-N368 PolarHBondContact O-OD1 3.48Å; K128-N368 VanDerWaalsContact O-OD1 3.11Å
129A97.4Very high95Very high0 Ų053.4 Ų53.40%028%0.282CS..  trans-85.1128.2176.500000109.7S113 D131 R134 N155S113-A129 PolarHBondContact OG-N 2.86Å; S113-A129 PolarHBondContact OG-O 2.82Å; A129-D131 PolarHBondContact O-N 2.98Å; A129-R134 HydrophobicContact CB-CB 4Å; A129-N155 WeakPolarHBondContact CA-OD1 3.43Å; A129-N155 WeakPolarHBondContact CB-OD1 2.98Å
130F97.8Very high94Very high5 Ų552.5 Ų52.52%0.02227%0.273CS..  trans-64.4129.9172.4-63.5-34.3000110.8Y106 F108 D109 T110 V132 T133 R134 N155 R364 R365 N368Y106-F130 WeakPolarHBondContact O-CZ 3.48Å; F108-F130 HydrophobicContact CB-CB 4.29Å; F108-F130 HydrophobicContact CB-CD1 3.74Å; F108-F130 HydrophobicContact CB-CD2 4.36Å; F108-F130 HydrophobicContact CB-CE1 4.07Å; F108-F130 HydrophobicContact CB-CG 3.91Å; F108-F130 AromaticContact CD2-CD2 3.89Å; F108-F130 HydrophobicContact CD2-CD2 3.89Å; F108-F130 HydrophobicContact CD2-CE1 4.47Å; F108-F130 AromaticContact CD2-CE2 3.78Å; F108-F130 HydrophobicContact CD2-CE2 3.78Å; F108-F130 HydrophobicContact CD2-CG 4.3Å; F108-F130 HydrophobicContact CD2-CZ 4.08Å; D109-F130 CarbonylContact O-C 3.6Å; D109-F130 WeakPolarHBondContact O-CA 3.5Å; T110-F130 HydrophobicContact CG2-CD1 3.84Å; T110-F130 HydrophobicContact CG2-CE1 4.37Å; F130-V132 HydrophobicContact CB-CG2 3.99Å; F130-V132 PolarHBondContact O-N 3.38Å; F130-T133 PolarHBondContact O-N 3.38Å; F130-R134 VanDerWaalsContact O-CB 3.29Å; F130-R134 WeakPolarHBondContact O-CB 3.01Å; F130-R134 PolarHBondContact O-N 2.89Å; F130-N155 PolarHBondContact N-ND2 2.83Å; F130-N155 PolarHBondContact O-ND2 2.97Å; F130-R364 WeakPolarHBondContact CE2-O 3.3Å; F130-R365 WeakPolarHBondContact CD2-O 3.46Å; F130-N368 HydrophobicContact CE1-CB 3.88Å; F130-N368 HydrophobicContact CE2-CB 4.32Å; F130-N368 HydrophobicContact CZ-CB 3.61Å
131D97.9Very high92.2Very high35 Ų3556 Ų5619%0.18729%0.285CS..THydrogen-bonded Turntrans-62.2-29.2-176.7-79.7-37.9000113.4D109 V111 A112 A129 T133 R134D109-D131 PolarHBondContact O-N 3.24Å; V111-D131 WeakPolarHBondContact CA-OD2 3.41Å; V111-D131 VanDerWaalsContact CB-OD2 3.28Å; V111-D131 WeakPolarHBondContact CB-OD2 3.4Å; V111-D131 PolarHBondContact N-OD2 3.01Å; A112-D131 WeakPolarHBondContact CB-OD1 3.44Å; A112-D131 PolarHBondContact N-OD1 2.85Å; A112-D131 PolarHBondContact N-OD2 2.86Å; A129-D131 PolarHBondContact O-N 2.98Å; D131-T133 VanDerWaalsContact C-N 3.32Å; D131-T133 PolarHBondContact O-N 3.24Å; D131-R134 WeakPolarHBondContact OD1-CD 3.32Å; D131-R134 IonicContact OD1-NE 3.14Å; D131-R134 PolarHBondContact OD1-NE 3.03Å
132V96.9Very high90.2Very high103 Ų10361.3 Ų61.362%0.62431%0.309SS*.THydrogen-bonded Turntrans-68.5-26.8-179-69.50000113.6F108 F130F108-V132 HydrophobicContact CB-CG2 4.49Å; F130-V132 HydrophobicContact CB-CG2 3.99Å; F130-V132 PolarHBondContact O-N 3.38Å
133T97.6Very high87.6Confident33 Ų3370.3 Ų70.320%0.20235%0.35CS..THydrogen-bonded Turntrans-127.2-0.2-175.9540000112.9F130 D131 N155 Y156 Q366F130-T133 PolarHBondContact O-N 3.38Å; D131-T133 VanDerWaalsContact C-N 3.32Å; D131-T133 PolarHBondContact O-N 3.24Å; T133-N155 CarbonylContact O-C 3.53Å; T133-N155 WeakPolarHBondContact O-CA 3.45Å; T133-N155 PolarHBondContact OG1-ND2 2.77Å; T133-Y156 WeakPolarHBondContact O-CD2 3.5Å; T133-Y156 PolarHBondContact O-N 2.91Å; T133-Q366 PolarHBondContact OG1-O 3.27Å
134R98Very high85.4Confident27 Ų2772.1 Ų72.110%0.10238%0.384CS..EExtended strand (participates in β ladder)trans-64.1147.9-17870.4177.7179.481.1-2111.4A129 F130 D131 K136 D150 A154 N155A129-R134 HydrophobicContact CB-CB 4Å; F130-R134 VanDerWaalsContact O-CB 3.29Å; F130-R134 WeakPolarHBondContact O-CB 3.01Å; F130-R134 PolarHBondContact O-N 2.89Å; D131-R134 WeakPolarHBondContact OD1-CD 3.32Å; D131-R134 IonicContact OD1-NE 3.14Å; D131-R134 PolarHBondContact OD1-NE 3.03Å; R134-K136 HydrophobicContact CG-CG 4.47Å; R134-K136 VanDerWaalsContact NH1-CG 3.34Å; R134-D150 IonicContact CZ-OD2 2.81Å; R134-D150 VanDerWaalsContact CZ-OD2 3.31Å; R134-D150 IonicContact NH1-OD1 2.7Å; R134-D150 IonicContact NH1-OD2 3.43Å; R134-D150 PolarHBondContact NH1-OD2 3.22Å; R134-D150 IonicContact NH2-OD1 3.88Å; R134-D150 IonicContact NH2-OD2 2.61Å; R134-D150 PolarHBondContact NH2-OD2 3.39Å; R134-A154 CarbonylContact C-O 3.58Å; R134-A154 VanDerWaalsContact CA-O 3.25Å; R134-A154 WeakPolarHBondContact CA-O 3.49Å; R134-N155 WeakPolarHBondContact CA-ND2 3.48Å; R134-N155 PolarHBondContact N-ND2 3.44Å
135V98.4Very high83.3Confident0 Ų074 Ų740%040%0.401CS..EExtended strand (participates in β ladder)trans-73.4139.8168.2-172.10000109.3I152 A154 Y156 I167 L183 Q187V135-I152 HydrophobicContact CB-CG2 4.28Å; V135-A154 HydrophobicContact CB-CB 4.37Å; V135-A154 HydrophobicContact CG2-CB 4.07Å; V135-A154 PolarHBondContact N-O 3.49Å; V135-Y156 HydrophobicContact CB-CE2 4.2Å; V135-Y156 HydrophobicContact CG1-CE2 4.32Å; V135-Y156 HydrophobicContact CG2-CD1 4.4Å; V135-Y156 HydrophobicContact CG2-CD2 4.03Å; V135-Y156 HydrophobicContact CG2-CE1 4.16Å; V135-Y156 HydrophobicContact CG2-CE2 3.77Å; V135-Y156 HydrophobicContact CG2-CG 4.34Å; V135-I167 HydrophobicContact CG2-CD1 4.41Å; V135-I167 HydrophobicContact CG2-CG1 4.33Å; V135-I167 HydrophobicContact CG2-CG2 3.71Å; V135-L183 HydrophobicContact CB-CD1 3.95Å; V135-L183 HydrophobicContact CG1-CD1 3.36Å; V135-L183 HydrophobicContact CG2-CD1 4.18Å; V135-Q187 HydrophobicContact CG1-CG 3.85Å
136K97.7Very high81.4Confident116 Ų11676.7 Ų76.750%0.50441%0.41SS..EExtended strand (participates in β ladder)trans-118.3120.9177.9-43-162.8176.3172.20109.1R134 D150R134-K136 HydrophobicContact CG-CG 4.47Å; R134-K136 VanDerWaalsContact NH1-CG 3.34Å; K136-D150 HydrophobicContact CB-CB 4.39Å
137L96.4Very high79.7Confident4 Ų480.4 Ų80.42%0.02142%0.424CS..PPolyproline II helixtrans-79.2150.6173.4-58.2-178.8000110.4D150 I152 D179 R182 L183 E186L137-D150 PolarHBondContact N-O 2.66Å; L137-D150 VanDerWaalsContact O-CA 3.27Å; L137-D150 WeakPolarHBondContact O-CA 3.29Å; L137-D150 WeakPolarHBondContact O-CB 3.39Å; L137-I152 HydrophobicContact CD1-CB 4.04Å; L137-I152 HydrophobicContact CD1-CD1 4.49Å; L137-I152 HydrophobicContact CD1-CG2 4.21Å; L137-I152 HydrophobicContact CD2-CG2 4.21Å; L137-I152 HydrophobicContact CG-CB 4.29Å; L137-I152 HydrophobicContact CG-CG2 3.9Å; L137-D179 HydrophobicContact CD1-CB 3.85Å; L137-R182 HydrophobicContact CD1-CB 4.35Å; L137-L183 HydrophobicContact CD2-CB 4.02Å; L137-L183 HydrophobicContact CD2-CD1 4.37Å; L137-E186 VanDerWaalsContact CA-OE2 3.31Å; L137-E186 WeakPolarHBondContact CA-OE2 3.23Å
138K91.6Very high78.6Confident148 Ų14882.3 Ų82.364%0.64344%0.437SS*.PPolyproline II helixtrans-65.8128.2173.9-66.9178.5-177.2176.30109.4S140 R182 E186K138-S140 PolarHBondContact O-N 3.04Å; K138-R182 PolarHBondContact O-NH2 2.8Å; K138-E186 PolarHBondContact N-OE2 3.03Å
139P84.4Confident78.1Confident94 Ų9481.1 Ų81.161%0.6144%0.44SS*.PPolyproline II helixtrans-57133.3176.8-2332.3000111.3N141P139-N141 PolarHBondContact O-N 2.99Å
140S71.7Confident78Confident32 Ų3283.3 Ų83.322%0.22445%0.452CS..BIsolated β-bridgetrans-92.696.9175.3-178.90000109.9K138 K142 K238K138-S140 PolarHBondContact O-N 3.04Å; S140-K142 PolarHBondContact O-N 2.79Å; S140-K142 VanDerWaalsContact O-N 3.16Å; S140-K238 PolarHBondContact OG-NZ 2.83Å
141N57.1Low78Confident144 Ų14483 Ų8377%0.7745%0.451SS*.  trans-68.5107.7170.5-72.8-8.2000109.8P139P139-N141 PolarHBondContact O-N 2.99Å
142K52.9Low78Confident136 Ų13681.8 Ų81.859%0.59144%0.444SS*.  trans-129.8126.9153.8-80-163.4174.5-171.40108.3S140 G144S140-K142 PolarHBondContact O-N 2.79Å; S140-K142 VanDerWaalsContact O-N 3.16Å; K142-G144 PolarHBondContact O-N 2.86Å
143E42.2Very low78Confident206 Ų20677 Ų7796%0.96342%0.415SS*.THydrogen-bonded Turntrans-60.7122.9168.3-66.8178.4166.300108.6
144G48.6Very low78.1Confident87 Ų8775.4 Ų75.490%0.89741%0.405SS*.THydrogen-bonded Turntrans93-3.2169.800000118.2K142K142-G144 PolarHBondContact O-N 2.86Å
145T49.5Very low78.1Confident97 Ų9774.1 Ų74.160%0.59540%0.4SS*.SBendtrans-118.5149.7166.345.10000110.9Q147T145-Q147 PolarHBondContact O-N 2.85Å
146E52Low78.1Confident190 Ų19077.1 Ų77.189%0.88841%0.412SS*.  trans-39.7124.5-179.6-69.7179.7167.100111.4C148E146-C148 PolarHBondContact O-N 2.95Å
147Q56.5Low78.1Confident175 Ų17571.6 Ų71.682%0.81839%0.388SS*.  trans-59.2108177.4-88.6175-20.900109T145 G149T145-Q147 PolarHBondContact O-N 2.85Å; Q147-G149 PolarHBondContact O-N 3.18Å; Q147-G149 VanDerWaalsContact O-N 3.09Å
148C70.5Confident78.1Confident42 Ų4274.9 Ų74.928%0.28440%0.403SS..BIsolated β-bridgetrans-75.4102.1170.5-163.30000108.2E146 D179 R182E146-C148 PolarHBondContact O-N 2.95Å; C148-D179 PolarHBondContact SG-OD1 3.44Å; C148-R182 PolarHBondContact SG-NH1 3.05Å
149G86.3Confident78.3Confident29 Ų2968.1 Ų68.130%0.29938%0.376SS..  trans-62.4176.9-179.200000114.4Q147 Y151Q147-G149 PolarHBondContact O-N 3.18Å; Q147-G149 VanDerWaalsContact O-N 3.09Å; G149-Y151 VanDerWaalsContact C-N 3.26Å; G149-Y151 PolarHBondContact O-N 2.68Å
150D94.9Very high78.8Confident46 Ų4664.4 Ų64.425%0.24635%0.35CS..SBendtrans-76.8-11.1179.774.2-39.1000113.5R134 K136 L137R134-D150 IonicContact CZ-OD2 2.81Å; R134-D150 VanDerWaalsContact CZ-OD2 3.31Å; R134-D150 IonicContact NH1-OD1 2.7Å; R134-D150 IonicContact NH1-OD2 3.43Å; R134-D150 PolarHBondContact NH1-OD2 3.22Å; R134-D150 IonicContact NH2-OD1 3.88Å; R134-D150 IonicContact NH2-OD2 2.61Å; R134-D150 PolarHBondContact NH2-OD2 3.39Å; K136-D150 HydrophobicContact CB-CB 4.39Å; L137-D150 PolarHBondContact N-O 2.66Å; L137-D150 VanDerWaalsContact O-CA 3.27Å; L137-D150 WeakPolarHBondContact O-CA 3.29Å; L137-D150 WeakPolarHBondContact O-CB 3.39Å
151Y97Very high79.8Confident0 Ų069.1 Ų69.10%037%0.366CS..EExtended strand (participates in β ladder)trans-76.4131.1-171.4-176.9-103.2000113.1A112 S113 N118 K121 N122 G149 N153A112-Y151 HydrophobicContact CB-CD2 3.8Å; A112-Y151 HydrophobicContact CB-CE2 4.24Å; S113-Y151 WeakPolarHBondContact CA-OH 3.4Å; S113-Y151 WeakPolarHBondContact CB-OH 3.49Å; S113-Y151 WeakPolarHBondContact OG-CE2 3.39Å; S113-Y151 PolarHBondContact OG-OH 3.4Å; N118-Y151 HydrophobicContact CB-CD1 3.49Å; N118-Y151 VanDerWaalsContact CB-CD1 3.49Å; N118-Y151 HydrophobicContact CB-CE1 3.87Å; N118-Y151 HydrophobicContact CB-CG 4.02Å; N118-Y151 VanDerWaalsContact CG-CB 3.47Å; N118-Y151 VanDerWaalsContact CG-CD1 3.43Å; N118-Y151 VanDerWaalsContact ND2-CB 3.31Å; N118-Y151 WeakPolarHBondContact ND2-CB 3.22Å; N118-Y151 WeakPolarHBondContact OD1-CB 3.31Å; K121-Y151 HydrophobicContact CB-CD1 3.9Å; K121-Y151 HydrophobicContact CB-CE1 3.95Å; K121-Y151 HydrophobicContact CD-CD1 3.95Å; K121-Y151 WeakPolarHBondContact CD-O 3.49Å; K121-Y151 PolarHBondContact NZ-O 2.65Å; N122-Y151 WeakPolarHBondContact OD1-CE1 3.42Å; N122-Y151 PolarHBondContact OD1-OH 3.34Å; G149-Y151 VanDerWaalsContact C-N 3.26Å; G149-Y151 PolarHBondContact O-N 2.68Å; Y151-N153 HydrophobicContact CE1-CB 4.44Å
152I97.8Very high81.2Confident9 Ų964 Ų645%0.04635%0.348CS..EExtended strand (participates in β ladder)trans-140.9142.3161.9-174.9168.4000107.9V135 L137 A154 D179 L183V135-I152 HydrophobicContact CB-CG2 4.28Å; L137-I152 HydrophobicContact CD1-CB 4.04Å; L137-I152 HydrophobicContact CD1-CD1 4.49Å; L137-I152 HydrophobicContact CD1-CG2 4.21Å; L137-I152 HydrophobicContact CD2-CG2 4.21Å; L137-I152 HydrophobicContact CG-CB 4.29Å; L137-I152 HydrophobicContact CG-CG2 3.9Å; I152-A154 VanDerWaalsContact C-N 3.29Å; I152-A154 HydrophobicContact CG2-CB 4.45Å; I152-A154 PolarHBondContact O-N 3.26Å; I152-D179 HydrophobicContact CD1-CB 4.23Å; I152-L183 HydrophobicContact CD1-CB 3.82Å; I152-L183 HydrophobicContact CD1-CD2 3.95Å; I152-L183 HydrophobicContact CD1-CG 4.36Å; I152-L183 HydrophobicContact CG2-CD1 4.43Å
153N97.9Very high82.9Confident1 Ų160.4 Ų60.41%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-77.380.3179.1-167.2-35.7000111.2N122 I127 Y151 Q170 R367N122-N153 PolarHBondContact OD1-ND2 2.8Å; I127-N153 PolarHBondContact O-ND2 2.9Å; Y151-N153 HydrophobicContact CE1-CB 4.44Å; N153-Q170 HydrophobicContact CB-CG 4.13Å; N153-Q170 PolarHBondContact O-N 2.81Å; N153-R367 PolarHBondContact OD1-NH1 2.8Å; N153-R367 PolarHBondContact OD1-NH2 3.46Å
154A98.7Very high85.3Confident0 Ų051.1 Ų51.10%030%0.296CS..EExtended strand (participates in β ladder)trans-153150177.400000111.6R134 V135 I152 I167 A168 A169 L183R134-A154 CarbonylContact C-O 3.58Å; R134-A154 VanDerWaalsContact CA-O 3.25Å; R134-A154 WeakPolarHBondContact CA-O 3.49Å; V135-A154 HydrophobicContact CB-CB 4.37Å; V135-A154 HydrophobicContact CG2-CB 4.07Å; V135-A154 PolarHBondContact N-O 3.49Å; I152-A154 VanDerWaalsContact C-N 3.29Å; I152-A154 HydrophobicContact CG2-CB 4.45Å; I152-A154 PolarHBondContact O-N 3.26Å; A154-I167 HydrophobicContact CB-CG2 3.9Å; A154-A168 CarbonylContact C-O 3.5Å; A154-A168 WeakPolarHBondContact CA-O 3.18Å; A154-A169 HydrophobicContact CB-CB 3.7Å; A154-L183 HydrophobicContact CB-CD2 4.46Å
155N98.7Very high87.7Confident0 Ų049.6 Ų49.60%027%0.267CS..EExtended strand (participates in β ladder)trans-128.5146.5175.3-6588.9000111.2A129 F130 T133 R134 I157 I167 A168 R367A129-N155 WeakPolarHBondContact CA-OD1 3.43Å; A129-N155 WeakPolarHBondContact CB-OD1 2.98Å; F130-N155 PolarHBondContact N-ND2 2.83Å; F130-N155 PolarHBondContact O-ND2 2.97Å; T133-N155 CarbonylContact O-C 3.53Å; T133-N155 WeakPolarHBondContact O-CA 3.45Å; T133-N155 PolarHBondContact OG1-ND2 2.77Å; R134-N155 WeakPolarHBondContact CA-ND2 3.48Å; R134-N155 PolarHBondContact N-ND2 3.44Å; N155-I157 HydrophobicContact CB-CD1 4.43Å; N155-I167 CarbonylContact O-C 3.59Å; N155-I167 WeakPolarHBondContact O-CA 3.36Å; N155-A168 PolarHBondContact N-O 2.87Å; N155-A168 PolarHBondContact O-N 3.22Å; N155-R367 HydrophobicContact CB-CB 4.01Å; N155-R367 HydrophobicContact CB-CG 4.34Å; N155-R367 WeakPolarHBondContact OD1-CG 3.38Å; N155-R367 PolarHBondContact OD1-NH1 3.47Å
156Y98.5Very high90Very high63 Ų6345 Ų4525%0.24724%0.239CC..EExtended strand (participates in β ladder)trans-68.6135.6164.1-63.7-77.5000109.8T133 V135 L165 F166 I167 Q187T133-Y156 WeakPolarHBondContact O-CD2 3.5Å; T133-Y156 PolarHBondContact O-N 2.91Å; V135-Y156 HydrophobicContact CB-CE2 4.2Å; V135-Y156 HydrophobicContact CG1-CE2 4.32Å; V135-Y156 HydrophobicContact CG2-CD1 4.4Å; V135-Y156 HydrophobicContact CG2-CD2 4.03Å; V135-Y156 HydrophobicContact CG2-CE1 4.16Å; V135-Y156 HydrophobicContact CG2-CE2 3.77Å; V135-Y156 HydrophobicContact CG2-CG 4.34Å; Y156-L165 HydrophobicContact CD1-CD1 4.17Å; Y156-L165 HydrophobicContact CD1-CD2 4.15Å; Y156-L165 HydrophobicContact CD1-CG 4.32Å; Y156-F166 CarbonylContact C-O 3.55Å; Y156-F166 WeakPolarHBondContact CA-O 3.36Å; Y156-I167 HydrophobicContact CD1-CD1 4.36Å; Y156-I167 HydrophobicContact CD1-CG1 3.81Å; Y156-I167 HydrophobicContact CE1-CD1 3.95Å; Y156-I167 HydrophobicContact CE1-CG1 3.93Å; Y156-Q187 PolarHBondContact OH-OE1 2.83Å
157I98.2Very high92.2Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-128.5123177.8-54.3-64.8000108.1N155 F166 A168 I339 L363 Q366 R367 M370N155-I157 HydrophobicContact CB-CD1 4.43Å; I157-F166 HydrophobicContact CB-CB 4.13Å; I157-F166 PolarHBondContact N-O 3.3Å; I157-F166 WeakPolarHBondContact O-CB 3.09Å; I157-F166 PolarHBondContact O-N 3.09Å; I157-A168 HydrophobicContact CD1-CB 4.33Å; I157-A168 HydrophobicContact CG1-CB 3.63Å; I157-I339 HydrophobicContact CB-CD1 4.32Å; I157-I339 HydrophobicContact CG1-CD1 4.37Å; I157-I339 HydrophobicContact CG2-CD1 4.19Å; I157-I339 HydrophobicContact CG2-CG2 4.01Å; I157-L363 HydrophobicContact CG2-CD2 3.39Å; I157-Q366 HydrophobicContact CD1-CB 3.57Å; I157-R367 HydrophobicContact CD1-CB 3.79Å; I157-M370 HydrophobicContact CD1-CE 4.31Å; I157-M370 HydrophobicContact CG1-CE 4.36Å
158Q96.4Very high94.3Very high74 Ų7427.6 Ų27.635%0.34616%0.157SC..EExtended strand (participates in β ladder)trans-80.4126.4174-161.166.775.500110.4G162 K164Q158-G162 VanDerWaalsContact CD-CA 3.5Å; Q158-G162 PolarHBondContact NE2-O 2.84Å; Q158-K164 PolarHBondContact NE2-O 3.44Å
159G94.9Very high95.6Very high6 Ų625.7 Ų25.76%0.06215%0.145CC..  trans-70.5-173.8167.300000112.8K161 G162 K164 S343G159-K161 PolarHBondContact O-N 3.47Å; G159-G162 PolarHBondContact O-N 2.82Å; G159-K164 PolarHBondContact N-O 2.73Å; G159-S343 WeakPolarHBondContact CA-OG 3.3Å
160Y94.9Very high96.1Very high16 Ų1624.6 Ų24.66%0.06313%0.132CC..G310 helixtrans-57.9127.9-179.8170.4-107.4000112.4G162 S163 S343 D346 Q347 E350 E351Y160-G162 PolarHBondContact O-N 3.29Å; Y160-S163 WeakPolarHBondContact O-CB 3.21Å; Y160-S163 PolarHBondContact O-N 3.48Å; Y160-S163 PolarHBondContact O-OG 3.2Å; Y160-S343 VanDerWaalsContact CB-O 3.28Å; Y160-S343 WeakPolarHBondContact CB-O 3.11Å; Y160-S343 PolarHBondContact N-OG 2.74Å; Y160-D346 HydrophobicContact CD1-CB 3.84Å; Y160-D346 HydrophobicContact CE1-CB 4.49Å; Y160-Q347 HydrophobicContact CD1-CB 4.45Å; Y160-Q347 HydrophobicContact CD2-CB 3.78Å; Y160-Q347 HydrophobicContact CD2-CG 4.09Å; Y160-Q347 HydrophobicContact CE1-CB 4.28Å; Y160-Q347 HydrophobicContact CE2-CB 3.62Å; Y160-Q347 HydrophobicContact CE2-CG 3.51Å; Y160-Q347 HydrophobicContact CG-CB 4.2Å; Y160-E350 HydrophobicContact CE1-CB 4.36Å; Y160-E350 WeakPolarHBondContact CE1-OE2 3.1Å; Y160-E350 PolarHBondContact OH-OE2 2.77Å; Y160-E350 VanDerWaalsContact OH-OE2 3.14Å; Y160-E351 WeakPolarHBondContact OH-CG 3.45Å; Y160-E351 PolarHBondContact OH-OE1 2.62Å
161K92.1Very high96.2Very high131 Ų13122.4 Ų22.457%0.5712%0.12SC*.G310 helixtrans47.719-175.1-72.2-176.7-177.6167.10116.4G159 S163 E350 E351G159-K161 PolarHBondContact O-N 3.47Å; K161-S163 VanDerWaalsContact C-N 3.3Å; K161-E350 IonicContact NZ-OE1 2.79Å; K161-E350 PolarHBondContact NZ-OE1 3.45Å; K161-E350 IonicContact NZ-OE2 3.98Å; K161-E351 WeakPolarHBondContact CE-OE1 3.31Å; K161-E351 IonicContact NZ-OE1 2.75Å; K161-E351 PolarHBondContact NZ-OE1 3.48Å
162G87.6Confident96.2Very high37 Ų3722.4 Ų22.438%0.38112%0.12SC..G310 helixtrans79.28.5-175.600000115.8Q158 G159 Y160 K164Q158-G162 VanDerWaalsContact CD-CA 3.5Å; Q158-G162 PolarHBondContact NE2-O 2.84Å; G159-G162 PolarHBondContact O-N 2.82Å; Y160-G162 PolarHBondContact O-N 3.29Å; G162-K164 PolarHBondContact O-N 3.25Å; G162-K164 VanDerWaalsContact O-N 3.16Å
163S87.2Confident96.1Very high60 Ų6023 Ų2342%0.4212%0.124SC..SBendtrans-61-25.4-177.568.20000113.7Y160 K161Y160-S163 WeakPolarHBondContact O-CB 3.21Å; Y160-S163 PolarHBondContact O-N 3.48Å; Y160-S163 PolarHBondContact O-OG 3.2Å; K161-S163 VanDerWaalsContact C-N 3.3Å
164K94.6Very high95.8Very high10 Ų1029.7 Ų29.74%0.04316%0.159CC..  trans-143.4138.5179.8-167.4174.4-65.5153.40110.6Q158 G159 G162 F166 F313 A319 V324 D342Q158-K164 PolarHBondContact NE2-O 3.44Å; G159-K164 PolarHBondContact N-O 2.73Å; G162-K164 PolarHBondContact O-N 3.25Å; G162-K164 VanDerWaalsContact O-N 3.16Å; K164-F166 HydrophobicContact CB-CE2 4.12Å; K164-F166 HydrophobicContact CB-CZ 4.4Å; K164-F166 HydrophobicContact CD-CD1 4.35Å; K164-F166 HydrophobicContact CD-CE1 3.6Å; K164-F166 HydrophobicContact CD-CE2 3.97Å; K164-F166 HydrophobicContact CD-CZ 3.41Å; K164-F166 VanDerWaalsContact CD-CZ 3.41Å; K164-F166 HydrophobicContact CG-CD2 4.47Å; K164-F166 HydrophobicContact CG-CE1 4.28Å; K164-F166 HydrophobicContact CG-CE2 4.07Å; K164-F166 HydrophobicContact CG-CZ 4.02Å; K164-F313 HydrophobicContact CD-CZ 4.29Å; K164-A319 WeakPolarHBondContact CD-O 3.5Å; K164-A319 VanDerWaalsContact CE-O 3.29Å; K164-A319 WeakPolarHBondContact CE-O 3.12Å; K164-A319 VanDerWaalsContact CG-O 3.28Å; K164-A319 WeakPolarHBondContact CG-O 3.29Å; K164-V324 HydrophobicContact CD-CG2 4.21Å; K164-V324 HydrophobicContact CG-CG2 4.49Å; K164-D342 IonicContact NZ-OD1 2.84Å; K164-D342 PolarHBondContact NZ-OD1 3Å; K164-D342 VanDerWaalsContact NZ-OD1 3.17Å; K164-D342 IonicContact NZ-OD2 2.87Å; K164-D342 PolarHBondContact NZ-OD2 2.86Å
165L97.6Very high95.5Very high56 Ų5635 Ų3529%0.29319%0.187SC..EExtended strand (participates in β ladder)trans-101.1124.7171.6-177.659.9000109.3Y156 P323 V324Y156-L165 HydrophobicContact CD1-CD1 4.17Å; Y156-L165 HydrophobicContact CD1-CD2 4.15Å; Y156-L165 HydrophobicContact CD1-CG 4.32Å; L165-P323 HydrophobicContact CD2-CG 4.09Å; L165-P323 WeakPolarHBondContact O-CA 3.15Å; L165-V324 PolarHBondContact O-N 2.84Å
166F98.5Very high95.4Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-108157.4173.5-60-87000110.7Y156 I157 K164 F313 V324 V326 F338 I339 D342Y156-F166 CarbonylContact C-O 3.55Å; Y156-F166 WeakPolarHBondContact CA-O 3.36Å; I157-F166 HydrophobicContact CB-CB 4.13Å; I157-F166 PolarHBondContact N-O 3.3Å; I157-F166 WeakPolarHBondContact O-CB 3.09Å; I157-F166 PolarHBondContact O-N 3.09Å; K164-F166 HydrophobicContact CB-CE2 4.12Å; K164-F166 HydrophobicContact CB-CZ 4.4Å; K164-F166 HydrophobicContact CD-CD1 4.35Å; K164-F166 HydrophobicContact CD-CE1 3.6Å; K164-F166 HydrophobicContact CD-CE2 3.97Å; K164-F166 HydrophobicContact CD-CZ 3.41Å; K164-F166 VanDerWaalsContact CD-CZ 3.41Å; K164-F166 HydrophobicContact CG-CD2 4.47Å; K164-F166 HydrophobicContact CG-CE1 4.28Å; K164-F166 HydrophobicContact CG-CE2 4.07Å; K164-F166 HydrophobicContact CG-CZ 4.02Å; F166-F313 HydrophobicContact CE1-CZ 4.44Å; F166-V324 CarbonylContact C-O 3.56Å; F166-V324 VanDerWaalsContact CA-O 3.28Å; F166-V324 WeakPolarHBondContact CA-O 3.4Å; F166-V324 HydrophobicContact CD1-CB 3.88Å; F166-V324 HydrophobicContact CD1-CG1 4.2Å; F166-V324 HydrophobicContact CE1-CB 4.33Å; F166-V324 HydrophobicContact CE1-CG1 4.45Å; F166-V326 HydrophobicContact CD1-CG2 3.65Å; F166-V326 HydrophobicContact CE1-CG2 4.23Å; F166-F338 HydrophobicContact CE1-CE1 4.33Å; F166-I339 HydrophobicContact CB-CD1 3.97Å; F166-I339 HydrophobicContact CB-CG1 4.39Å; F166-I339 HydrophobicContact CD1-CD1 4.49Å; F166-I339 HydrophobicContact CD1-CG1 4.06Å; F166-I339 HydrophobicContact CD2-CG1 4.3Å; F166-I339 HydrophobicContact CD2-CG2 3.81Å; F166-I339 HydrophobicContact CE1-CG1 4.28Å; F166-I339 HydrophobicContact CE2-CG2 3.79Å; F166-I339 HydrophobicContact CG-CD1 4.14Å; F166-I339 HydrophobicContact CG-CG1 4.02Å; F166-I339 HydrophobicContact CG-CG2 4.38Å; F166-I339 HydrophobicContact CZ-CG1 4.45Å; F166-I339 HydrophobicContact CZ-CG2 4.32Å; F166-D342 HydrophobicContact CZ-CB 4.33Å; F166-D342 WeakPolarHBondContact CZ-OD2 3.41Å
167I98.8Very high95.3Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-118114163.5-62.5172.1000106.8V135 A154 N155 Y156 L183 Q187 V189 P323 V324 L325 V326V135-I167 HydrophobicContact CG2-CD1 4.41Å; V135-I167 HydrophobicContact CG2-CG1 4.33Å; V135-I167 HydrophobicContact CG2-CG2 3.71Å; A154-I167 HydrophobicContact CB-CG2 3.9Å; N155-I167 CarbonylContact O-C 3.59Å; N155-I167 WeakPolarHBondContact O-CA 3.36Å; Y156-I167 HydrophobicContact CD1-CD1 4.36Å; Y156-I167 HydrophobicContact CD1-CG1 3.81Å; Y156-I167 HydrophobicContact CE1-CD1 3.95Å; Y156-I167 HydrophobicContact CE1-CG1 3.93Å; I167-L183 HydrophobicContact CD1-CD1 4.42Å; I167-L183 HydrophobicContact CG2-CD1 4.44Å; I167-L183 HydrophobicContact CG2-CD2 4.26Å; I167-Q187 HydrophobicContact CD1-CB 3.86Å; I167-Q187 HydrophobicContact CD1-CG 4.1Å; I167-V189 HydrophobicContact CD1-CG2 4.11Å; I167-P323 HydrophobicContact CD1-CB 3.85Å; I167-P323 HydrophobicContact CG1-CB 4.15Å; I167-V324 PolarHBondContact N-O 3.07Å; I167-L325 HydrophobicContact CB-CD1 3.95Å; I167-L325 HydrophobicContact CG2-CD1 3.67Å; I167-L325 CarbonylContact O-C 3.57Å; I167-L325 WeakPolarHBondContact O-CA 3.14Å; I167-L325 WeakPolarHBondContact O-CD1 3.42Å; I167-V326 PolarHBondContact O-N 2.97Å
168A98.8Very high95.2Very high0 Ų036.3 Ų36.30%020%0.2CC..EExtended strand (participates in β ladder)trans-89.6117.4173.600000109.5A154 N155 I157 V326 T335 I339 M370A154-A168 CarbonylContact C-O 3.5Å; A154-A168 WeakPolarHBondContact CA-O 3.18Å; N155-A168 PolarHBondContact N-O 2.87Å; N155-A168 PolarHBondContact O-N 3.22Å; I157-A168 HydrophobicContact CD1-CB 4.33Å; I157-A168 HydrophobicContact CG1-CB 3.63Å; A168-V326 WeakPolarHBondContact CA-O 3.49Å; A168-T335 HydrophobicContact CB-CG2 3.62Å; A168-I339 HydrophobicContact CB-CD1 4.41Å; A168-M370 HydrophobicContact CB-CE 4.33Å
169A98.6Very high95.2Very high2 Ų233.2 Ų33.22%0.01719%0.185CC..EExtended strand (participates in β ladder)trans-128.6154.2-176.200000112.7A154 F180 L325 V326 H327 G331A154-A169 HydrophobicContact CB-CB 3.7Å; A169-F180 HydrophobicContact CB-CE2 4.31Å; A169-L325 HydrophobicContact CB-CD1 3.64Å; A169-V326 PolarHBondContact N-O 3.31Å; A169-H327 HydrophobicContact CB-CB 4.39Å; A169-H327 VanDerWaalsContact O-CA 3.3Å; A169-H327 WeakPolarHBondContact O-CA 3.38Å; A169-H327 WeakPolarHBondContact O-CB 3.46Å; A169-G331 WeakPolarHBondContact O-CA 3.22Å
170Q97.5Very high95.3Very high6 Ų633.1 Ų33.13%0.02818%0.183CC..PPolyproline II helixtrans-67.4156.8167.773.8178.917.600111.4K121 N153K121-Q170 PolarHBondContact O-NE2 2.93Å; N153-Q170 HydrophobicContact CB-CG 4.13Å; N153-Q170 PolarHBondContact O-N 2.81Å
171G96.9Very high95.5Very high0 Ų032.4 Ų32.40%018%0.18CC..PPolyproline II helixtrans-64.9132.9170.100000110.3R123 C328 S329R123-G171 PolarHBondContact NE-O 3.04Å; R123-G171 PolarHBondContact NH2-O 2.94Å; G171-C328 WeakPolarHBondContact CA-O 3.09Å; G171-C328 PolarHBondContact N-O 3.33Å; G171-S329 PolarHBondContact N-O 3.5Å
172P96.7Very high95.6Very high0 Ų027.7 Ų27.70%016%0.159CC..PPolyproline II helixtrans-56.5140.4-175.8-28.736.7000113.7R123 F180 I225 Y227R123-P172 VanDerWaalsContact NH2-C 3.33Å; R123-P172 PolarHBondContact NH2-O 2.63Å; P172-F180 HydrophobicContact CB-CB 4.3Å; P172-F180 HydrophobicContact CB-CG 4.35Å; P172-F180 HydrophobicContact CG-CB 3.83Å; P172-F180 HydrophobicContact CG-CD1 3.67Å; P172-F180 HydrophobicContact CG-CD2 3.49Å; P172-F180 VanDerWaalsContact CG-CD2 3.49Å; P172-F180 HydrophobicContact CG-CE1 3.99Å; P172-F180 HydrophobicContact CG-CE2 3.79Å; P172-F180 HydrophobicContact CG-CG 3.38Å; P172-F180 HydrophobicContact CG-CZ 4.03Å; P172-I225 HydrophobicContact CB-CD1 4.48Å; P172-I225 HydrophobicContact CB-CG1 4.26Å; P172-I225 WeakPolarHBondContact O-CG1 3.29Å; P172-Y227 HydrophobicContact CG-CD1 3.81Å; P172-Y227 HydrophobicContact CG-CE1 4.45Å; P172-Y227 HydrophobicContact CG-CG 3.94Å
173T94.4Very high96.1Very high20 Ų2025.9 Ų25.912%0.12314%0.141CC..  trans-96.5175166.368.90000109.7R123 D175 T176 V177 I225R123-T173 HydrophobicContact CB-CG2 4.05Å; R123-T173 HydrophobicContact CG-CG2 4.4Å; T173-D175 PolarHBondContact O-N 3.35Å; T173-D175 PolarHBondContact OG1-N 3.07Å; T173-T176 PolarHBondContact N-OG1 2.99Å; T173-T176 PolarHBondContact O-N 3.5Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.28Å; T173-T176 PolarHBondContact OG1-N 2.96Å; T173-T176 PolarHBondContact OG1-OG1 3.17Å; T173-V177 PolarHBondContact O-N 3.44Å; T173-V177 VanDerWaalsContact O-N 3.09Å; T173-I225 VanDerWaalsContact C-CD1 3.48Å; T173-I225 VanDerWaalsContact O-CD1 3.28Å; T173-I225 WeakPolarHBondContact O-CD1 3.33Å
174L92.7Very high96.7Very high142 Ų14223.1 Ų23.174%0.74312%0.121SC*.THydrogen-bonded Turntrans-58.5-36.1174.7-69.3173.8000111.2I225L174-I225 HydrophobicContact CD2-CD1 4.18Å
175D92.7Very high96.7Very high112 Ų11223.8 Ų23.860%0.59912%0.123SC*.THydrogen-bonded Turntrans-76.2-27.9-179.8-52.1-62.2000112.8T173T173-D175 PolarHBondContact O-N 3.35Å; T173-D175 PolarHBondContact OG1-N 3.07Å
176T95.9Very high96.6Very high5 Ų523.2 Ų23.23%0.03112%0.119CC..THydrogen-bonded Turntrans-105.42.7-174.372.80000114.5K121 T173 N178 D179 F180K121-T176 HydrophobicContact CB-CG2 3.98Å; K121-T176 HydrophobicContact CG-CG2 4.3Å; T173-T176 PolarHBondContact N-OG1 2.99Å; T173-T176 PolarHBondContact O-N 3.5Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.28Å; T173-T176 PolarHBondContact OG1-N 2.96Å; T173-T176 PolarHBondContact OG1-OG1 3.17Å; T176-N178 VanDerWaalsContact C-N 3.3Å; T176-N178 PolarHBondContact O-N 2.86Å; T176-D179 PolarHBondContact O-N 3.23Å; T176-F180 WeakPolarHBondContact O-CB 3.08Å; T176-F180 PolarHBondContact O-N 3.03Å
177V96.8Very high96.6Very high19 Ų1925 Ų2512%0.11513%0.128CC..Hα-helixtrans-61.3-39.1-177.370.90000112.4T173 F180 W181 I225 Y236T173-V177 PolarHBondContact O-N 3.44Å; T173-V177 VanDerWaalsContact O-N 3.09Å; V177-F180 PolarHBondContact O-N 3.25Å; V177-W181 PolarHBondContact O-N 3.18Å; V177-I225 HydrophobicContact CB-CD1 4.12Å; V177-I225 HydrophobicContact CG2-CD1 4.25Å; V177-Y236 HydrophobicContact CG1-CD1 4.28Å; V177-Y236 HydrophobicContact CG2-CD1 3.7Å; V177-Y236 HydrophobicContact CG2-CE1 3.89Å
178N95.7Very high96.4Very high67 Ų6727.6 Ų27.636%0.35814%0.142SC..Hα-helixtrans-68.3-42.4177.2-65.8-26.5000111T176 F180 W181 R182 Y236 G237T176-N178 VanDerWaalsContact C-N 3.3Å; T176-N178 PolarHBondContact O-N 2.86Å; N178-F180 VanDerWaalsContact C-N 3.29Å; N178-F180 PolarHBondContact O-N 3.18Å; N178-W181 PolarHBondContact O-N 3.05Å; N178-R182 WeakPolarHBondContact O-CG 3.3Å; N178-R182 PolarHBondContact O-N 3.18Å; N178-Y236 VanDerWaalsContact OD1-CA 3.27Å; N178-Y236 WeakPolarHBondContact OD1-CA 3.29Å; N178-G237 PolarHBondContact OD1-N 2.97Å
179D96.3Very high96.4Very high8 Ų827.6 Ų27.64%0.04314%0.142CC..Hα-helixtrans-65.6-32.6176.8-75.2-13.2000112K121 L137 C148 I152 T176 R182 L183K121-D179 WeakPolarHBondContact CE-OD2 3.33Å; K121-D179 IonicContact NZ-OD2 2.61Å; K121-D179 PolarHBondContact NZ-OD2 3.22Å; L137-D179 HydrophobicContact CD1-CB 3.85Å; C148-D179 PolarHBondContact SG-OD1 3.44Å; I152-D179 HydrophobicContact CD1-CB 4.23Å; T176-D179 PolarHBondContact O-N 3.23Å; D179-R182 WeakPolarHBondContact O-CB 3.33Å; D179-R182 PolarHBondContact O-N 2.93Å; D179-R182 IonicContact OD1-CZ 3.79Å; D179-R182 IonicContact OD1-NH1 3.42Å; D179-R182 PolarHBondContact OD1-NH1 3.16Å; D179-L183 WeakPolarHBondContact O-CB 3.3Å; D179-L183 PolarHBondContact O-N 3.43Å
180F98.2Very high96.4Very high4 Ų429.2 Ų29.22%0.01815%0.147CC..Hα-helixtrans-66.6-42.1175.7-167.2-99.3000112.6A169 P172 T176 V177 N178 L183 I184 V192 Y227 L325 H327A169-F180 HydrophobicContact CB-CE2 4.31Å; P172-F180 HydrophobicContact CB-CB 4.3Å; P172-F180 HydrophobicContact CB-CG 4.35Å; P172-F180 HydrophobicContact CG-CB 3.83Å; P172-F180 HydrophobicContact CG-CD1 3.67Å; P172-F180 HydrophobicContact CG-CD2 3.49Å; P172-F180 VanDerWaalsContact CG-CD2 3.49Å; P172-F180 HydrophobicContact CG-CE1 3.99Å; P172-F180 HydrophobicContact CG-CE2 3.79Å; P172-F180 HydrophobicContact CG-CG 3.38Å; P172-F180 HydrophobicContact CG-CZ 4.03Å; T176-F180 WeakPolarHBondContact O-CB 3.08Å; T176-F180 PolarHBondContact O-N 3.03Å; V177-F180 PolarHBondContact O-N 3.25Å; N178-F180 VanDerWaalsContact C-N 3.29Å; N178-F180 PolarHBondContact O-N 3.18Å; F180-L183 WeakPolarHBondContact O-CB 3.4Å; F180-L183 PolarHBondContact O-N 3.34Å; F180-I184 HydrophobicContact CD1-CD1 3.81Å; F180-I184 HydrophobicContact CE1-CD1 3.7Å; F180-I184 WeakPolarHBondContact O-CG1 2.96Å; F180-I184 PolarHBondContact O-N 2.98Å; F180-I184 VanDerWaalsContact O-N 3.07Å; F180-V192 HydrophobicContact CZ-CG1 4.45Å; F180-Y227 AromaticContact CD1-CD2 3.9Å; F180-Y227 HydrophobicContact CD1-CD2 3.9Å; F180-Y227 HydrophobicContact CD1-CE2 4.04Å; F180-Y227 HydrophobicContact CD1-CG 4.38Å; F180-Y227 AromaticContact CE1-CD2 3.79Å; F180-Y227 HydrophobicContact CE1-CD2 3.79Å; F180-Y227 HydrophobicContact CE1-CE1 4.33Å; F180-Y227 AromaticContact CE1-CE2 3.45Å; F180-Y227 HydrophobicContact CE1-CE2 3.45Å; F180-Y227 VanDerWaalsContact CE1-CE2 3.45Å; F180-Y227 HydrophobicContact CE1-CG 4.36Å; F180-Y227 AromaticContact CE1-CZ 3.73Å; F180-Y227 HydrophobicContact CZ-CE2 4.4Å; F180-L325 HydrophobicContact CE1-CD2 3.95Å; F180-L325 HydrophobicContact CE2-CD1 4.5Å; F180-L325 HydrophobicContact CE2-CD2 3.81Å; F180-L325 HydrophobicContact CE2-CG 4.43Å; F180-L325 HydrophobicContact CZ-CD2 3.47Å; F180-L325 VanDerWaalsContact CZ-CD2 3.47Å; F180-L325 HydrophobicContact CZ-CG 4.19Å; F180-H327 AromaticContact CZ-CD2 3.71Å
181W97.7Very high96.4Very high2 Ų228.9 Ų28.91%0.00815%0.146CC..Hα-helixtrans-71.5-31.5173.3-77.5108000112.9V177 N178 I184 W185 Y227 W228 Y236 I239 V241 F257 I259V177-W181 PolarHBondContact O-N 3.18Å; N178-W181 PolarHBondContact O-N 3.05Å; W181-I184 HydrophobicContact CD2-CD1 4.16Å; W181-I184 HydrophobicContact CE3-CB 4.27Å; W181-I184 HydrophobicContact CE3-CD1 3.66Å; W181-I184 HydrophobicContact CE3-CG2 4.19Å; W181-I184 HydrophobicContact CH2-CD1 4.44Å; W181-I184 HydrophobicContact CZ3-CD1 3.81Å; W181-I184 HydrophobicContact CZ3-CG2 4.26Å; W181-I184 PolarHBondContact O-N 3.31Å; W181-W185 WeakPolarHBondContact O-CB 3.21Å; W181-W185 PolarHBondContact O-N 3.06Å; W181-Y227 HydrophobicContact CZ2-CD2 4.09Å; W181-Y227 HydrophobicContact CZ2-CE2 4.4Å; W181-Y227 PolarHBondContact NE1-O 2.81Å; W181-W228 HydrophobicContact CZ2-CB 4.37Å; W181-Y236 VanDerWaalsContact CD1-CB 3.5Å; W181-Y236 AromaticContact CD1-CD1 3.88Å; W181-Y236 AromaticContact CD1-CD2 3.53Å; W181-Y236 AromaticContact CD1-CG 3.34Å; W181-Y236 HydrophobicContact CG-CD2 4.18Å; W181-Y236 HydrophobicContact CG-CG 4.18Å; W181-Y236 AromaticContact NE1-CD2 3.46Å; W181-Y236 AromaticContact NE1-CE2 3.66Å; W181-Y236 AromaticContact NE1-CG 3.67Å; W181-I239 HydrophobicContact CB-CB 4.23Å; W181-I239 HydrophobicContact CB-CG1 4.37Å; W181-I239 HydrophobicContact CB-CG2 4.43Å; W181-V241 HydrophobicContact CD2-CG2 3.64Å; W181-V241 HydrophobicContact CE3-CG2 3.73Å; W181-V241 HydrophobicContact CG-CG2 4.28Å; W181-V241 HydrophobicContact CH2-CB 4.44Å; W181-V241 HydrophobicContact CH2-CG1 3.59Å; W181-V241 HydrophobicContact CH2-CG2 3.95Å; W181-V241 HydrophobicContact CZ2-CB 4.38Å; W181-V241 HydrophobicContact CZ2-CG1 3.75Å; W181-V241 HydrophobicContact CZ2-CG2 3.86Å; W181-V241 HydrophobicContact CZ3-CG1 4.17Å; W181-V241 HydrophobicContact CZ3-CG2 3.89Å; W181-F257 HydrophobicContact CH2-CD2 4.39Å; W181-F257 HydrophobicContact CH2-CG 4.49Å; W181-I259 HydrophobicContact CE3-CG2 4.27Å; W181-I259 HydrophobicContact CH2-CG2 4.45Å; W181-I259 HydrophobicContact CZ3-CG2 3.74Å
182R95.5Very high96.5Very high31 Ų3129 Ų2912%0.11715%0.146CC..Hα-helixtrans-62.7-43.6169.2-73.8173.159.8-156.33.4111.8L137 K138 C148 N178 D179 I184 W185 E186L137-R182 HydrophobicContact CD1-CB 4.35Å; K138-R182 PolarHBondContact O-NH2 2.8Å; C148-R182 PolarHBondContact SG-NH1 3.05Å; N178-R182 WeakPolarHBondContact O-CG 3.3Å; N178-R182 PolarHBondContact O-N 3.18Å; D179-R182 WeakPolarHBondContact O-CB 3.33Å; D179-R182 PolarHBondContact O-N 2.93Å; D179-R182 IonicContact OD1-CZ 3.79Å; D179-R182 IonicContact OD1-NH1 3.42Å; D179-R182 PolarHBondContact OD1-NH1 3.16Å; R182-I184 VanDerWaalsContact C-N 3.33Å; R182-I184 PolarHBondContact O-N 3.12Å; R182-W185 PolarHBondContact O-N 2.88Å; R182-E186 IonicContact CZ-OE1 3.29Å; R182-E186 IonicContact NE-OE1 3.31Å; R182-E186 PolarHBondContact NE-OE1 3.39Å; R182-E186 IonicContact NH2-OE1 3.04Å; R182-E186 VanDerWaalsContact O-CB 3.25Å; R182-E186 WeakPolarHBondContact O-CB 3.33Å; R182-E186 VanDerWaalsContact O-CG 3.25Å; R182-E186 WeakPolarHBondContact O-CG 3.4Å; R182-E186 PolarHBondContact O-N 3.22Å
183L97.9Very high96.6Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-54.7-50.4172.6171.974.3000110.8V135 L137 I152 A154 I167 D179 F180 W185 Q187 L325V135-L183 HydrophobicContact CB-CD1 3.95Å; V135-L183 HydrophobicContact CG1-CD1 3.36Å; V135-L183 HydrophobicContact CG2-CD1 4.18Å; L137-L183 HydrophobicContact CD2-CB 4.02Å; L137-L183 HydrophobicContact CD2-CD1 4.37Å; I152-L183 HydrophobicContact CD1-CB 3.82Å; I152-L183 HydrophobicContact CD1-CD2 3.95Å; I152-L183 HydrophobicContact CD1-CG 4.36Å; I152-L183 HydrophobicContact CG2-CD1 4.43Å; A154-L183 HydrophobicContact CB-CD2 4.46Å; I167-L183 HydrophobicContact CD1-CD1 4.42Å; I167-L183 HydrophobicContact CG2-CD1 4.44Å; I167-L183 HydrophobicContact CG2-CD2 4.26Å; D179-L183 WeakPolarHBondContact O-CB 3.3Å; D179-L183 PolarHBondContact O-N 3.43Å; F180-L183 WeakPolarHBondContact O-CB 3.4Å; F180-L183 PolarHBondContact O-N 3.34Å; L183-W185 VanDerWaalsContact C-N 3.31Å; L183-W185 PolarHBondContact O-N 2.68Å; L183-Q187 HydrophobicContact CD1-CG 3.74Å; L183-Q187 VanDerWaalsContact O-CB 3.27Å; L183-Q187 WeakPolarHBondContact O-CB 3.49Å; L183-Q187 WeakPolarHBondContact O-CG 3.49Å; L183-Q187 PolarHBondContact O-N 3.18Å; L183-L325 HydrophobicContact CD2-CD1 3.71Å; L183-L325 HydrophobicContact CD2-CD2 3.94Å
184I98.3Very high96.7Very high1 Ų128 Ų281%0.00514%0.14CC..Hα-helixtrans-58.2-45.4179.7-70.8167000110.9F180 W181 R182 D188 V189 V192 I259 V286 L325F180-I184 HydrophobicContact CD1-CD1 3.81Å; F180-I184 HydrophobicContact CE1-CD1 3.7Å; F180-I184 WeakPolarHBondContact O-CG1 2.96Å; F180-I184 PolarHBondContact O-N 2.98Å; F180-I184 VanDerWaalsContact O-N 3.07Å; W181-I184 HydrophobicContact CD2-CD1 4.16Å; W181-I184 HydrophobicContact CE3-CB 4.27Å; W181-I184 HydrophobicContact CE3-CD1 3.66Å; W181-I184 HydrophobicContact CE3-CG2 4.19Å; W181-I184 HydrophobicContact CH2-CD1 4.44Å; W181-I184 HydrophobicContact CZ3-CD1 3.81Å; W181-I184 HydrophobicContact CZ3-CG2 4.26Å; W181-I184 PolarHBondContact O-N 3.31Å; R182-I184 VanDerWaalsContact C-N 3.33Å; R182-I184 PolarHBondContact O-N 3.12Å; I184-D188 PolarHBondContact O-N 2.89Å; I184-V189 HydrophobicContact CB-CB 4.39Å; I184-V189 HydrophobicContact CG1-CB 4.46Å; I184-V189 HydrophobicContact CG2-CB 4.19Å; I184-V189 PolarHBondContact O-N 3.45Å; I184-V192 HydrophobicContact CD1-CG2 3.92Å; I184-V192 HydrophobicContact CG1-CG2 4.25Å; I184-I259 HydrophobicContact CG2-CD1 3.91Å; I184-V286 HydrophobicContact CG2-CG1 4.38Å; I184-V286 HydrophobicContact CG2-CG2 3.92Å; I184-L325 HydrophobicContact CD1-CD2 4.1Å; I184-L325 HydrophobicContact CG1-CD2 3.6Å
185W96.2Very high96.9Very high24 Ų2421.3 Ų21.39%0.09111%0.105CC..Hα-helixtrans-69.5-52.1-179.9-176.7-94.2000112.9W181 R182 L183 Q187 D188 I239 I259 C261 E282 R284W181-W185 WeakPolarHBondContact O-CB 3.21Å; W181-W185 PolarHBondContact O-N 3.06Å; R182-W185 PolarHBondContact O-N 2.88Å; L183-W185 VanDerWaalsContact C-N 3.31Å; L183-W185 PolarHBondContact O-N 2.68Å; W185-Q187 VanDerWaalsContact C-N 3.34Å; W185-Q187 PolarHBondContact O-N 3.34Å; W185-D188 PolarHBondContact O-N 2.94Å; W185-I239 HydrophobicContact CB-CD1 3.76Å; W185-I239 HydrophobicContact CB-CG1 4.28Å; W185-I239 HydrophobicContact CD2-CD1 3.86Å; W185-I239 HydrophobicContact CE3-CD1 4.25Å; W185-I239 HydrophobicContact CG-CD1 3.61Å; W185-I259 HydrophobicContact CE3-CD1 3.78Å; W185-I259 HydrophobicContact CE3-CG1 3.96Å; W185-I259 HydrophobicContact CZ3-CD1 4.33Å; W185-I259 HydrophobicContact CZ3-CG1 4.02Å; W185-C261 HydrophobicContact CD2-CB 4.01Å; W185-C261 HydrophobicContact CE3-CB 4.46Å; W185-C261 HydrophobicContact CH2-CB 3.87Å; W185-C261 HydrophobicContact CZ2-CB 3.31Å; W185-C261 HydrophobicContact CZ3-CB 4.41Å; W185-E282 WeakPolarHBondContact CH2-O 3.29Å; W185-R284 HydrophobicContact CH2-CG 4.41Å; W185-R284 HydrophobicContact CZ3-CB 4.47Å; W185-R284 HydrophobicContact CZ3-CG 4.06Å; W185-R284 PolarHBondContact O-NH1 3.29Å
186E95.6Very high96.9Very high44 Ų4416 Ų1621%0.2068%0.077CC..Hα-helixtrans-70.4-29.6-172.1-67.6177.1-157.400112.8L137 K138 R182L137-E186 VanDerWaalsContact CA-OE2 3.31Å; L137-E186 WeakPolarHBondContact CA-OE2 3.23Å; K138-E186 PolarHBondContact N-OE2 3.03Å; R182-E186 IonicContact CZ-OE1 3.29Å; R182-E186 IonicContact NE-OE1 3.31Å; R182-E186 PolarHBondContact NE-OE1 3.39Å; R182-E186 IonicContact NH2-OE1 3.04Å; R182-E186 VanDerWaalsContact O-CB 3.25Å; R182-E186 WeakPolarHBondContact O-CB 3.33Å; R182-E186 VanDerWaalsContact O-CG 3.25Å; R182-E186 WeakPolarHBondContact O-CG 3.4Å; R182-E186 PolarHBondContact O-N 3.22Å
187Q96.7Very high96.6Very high38 Ų3816.6 Ų16.618%0.1788%0.08CC..THydrogen-bonded Turntrans-97.310.4178.4-54.1-53.4-4200113.6V135 Y156 I167 L183 W185 V189V135-Q187 HydrophobicContact CG1-CG 3.85Å; Y156-Q187 PolarHBondContact OH-OE1 2.83Å; I167-Q187 HydrophobicContact CD1-CB 3.86Å; I167-Q187 HydrophobicContact CD1-CG 4.1Å; L183-Q187 HydrophobicContact CD1-CG 3.74Å; L183-Q187 VanDerWaalsContact O-CB 3.27Å; L183-Q187 WeakPolarHBondContact O-CB 3.49Å; L183-Q187 WeakPolarHBondContact O-CG 3.49Å; L183-Q187 PolarHBondContact O-N 3.18Å; W185-Q187 VanDerWaalsContact C-N 3.34Å; W185-Q187 PolarHBondContact O-N 3.34Å; Q187-V189 HydrophobicContact CB-CG2 4.14Å; Q187-V189 PolarHBondContact O-N 3.16Å
188D96Very high96.4Very high55 Ų5518.2 Ų18.229%0.2949%0.087SC..THydrogen-bonded Turntrans56.929.5178.4-149.746.3000115.2I184 W185 R190 R284I184-D188 PolarHBondContact O-N 2.89Å; W185-D188 PolarHBondContact O-N 2.94Å; D188-R190 VanDerWaalsContact C-NH1 3.35Å; D188-R190 PolarHBondContact O-N 3.4Å; D188-R190 PolarHBondContact O-NH1 3.33Å; D188-R190 IonicContact OD1-CZ 3.58Å; D188-R190 IonicContact OD1-NH1 2.66Å; D188-R190 PolarHBondContact OD1-NH1 3.05Å; D188-R190 IonicContact OD1-NH2 3.89Å; D188-R190 PolarHBondContact OD1-NH2 2.74Å; D188-R190 IonicContact OD2-CZ 3.34Å; D188-R190 IonicContact OD2-NH1 3.45Å; D188-R190 IonicContact OD2-NH2 3.44Å; D188-R190 PolarHBondContact OD2-NH2 3.2Å; D188-R284 IonicContact OD1-CZ 2.86Å; D188-R284 IonicContact OD1-NE 3.8Å; D188-R284 IonicContact OD1-NH1 3.99Å; D188-R284 PolarHBondContact OD1-NH1 3.3Å
189V98.2Very high96Very high0 Ų020.3 Ų20.30%010%0.095CC..  trans-67120.1-179.6176.40000109.8I167 I184 Q187 V191 V192 P323 L325I167-V189 HydrophobicContact CD1-CG2 4.11Å; I184-V189 HydrophobicContact CB-CB 4.39Å; I184-V189 HydrophobicContact CG1-CB 4.46Å; I184-V189 HydrophobicContact CG2-CB 4.19Å; I184-V189 PolarHBondContact O-N 3.45Å; Q187-V189 HydrophobicContact CB-CG2 4.14Å; Q187-V189 PolarHBondContact O-N 3.16Å; V189-V191 VanDerWaalsContact CG1-O 3.23Å; V189-V191 WeakPolarHBondContact CG1-O 3.06Å; V189-V192 HydrophobicContact CG1-CG2 3.98Å; V189-P323 HydrophobicContact CG2-CB 4.47Å; V189-L325 HydrophobicContact CG1-CB 3.61Å; V189-L325 HydrophobicContact CG2-CB 4.2Å
190R97.7Very high95.2Very high35 Ų3520.3 Ų20.313%0.13210%0.095CC..  trans-104.8-10.3170-52-80-177.2-73.6-3.3113.1D188 R284 T285 V286 L287 I318 I322D188-R190 VanDerWaalsContact C-NH1 3.35Å; D188-R190 PolarHBondContact O-N 3.4Å; D188-R190 PolarHBondContact O-NH1 3.33Å; D188-R190 IonicContact OD1-CZ 3.58Å; D188-R190 IonicContact OD1-NH1 2.66Å; D188-R190 PolarHBondContact OD1-NH1 3.05Å; D188-R190 IonicContact OD1-NH2 3.89Å; D188-R190 PolarHBondContact OD1-NH2 2.74Å; D188-R190 IonicContact OD2-CZ 3.34Å; D188-R190 IonicContact OD2-NH1 3.45Å; D188-R190 IonicContact OD2-NH2 3.44Å; D188-R190 PolarHBondContact OD2-NH2 3.2Å; R190-R284 VanDerWaalsContact NH2-CD 3.32Å; R190-T285 WeakPolarHBondContact CD-O 3.27Å; R190-V286 CarbonylContact O-C 3.55Å; R190-V286 WeakPolarHBondContact O-CA 3.48Å; R190-L287 PolarHBondContact O-N 2.87Å; R190-I318 HydrophobicContact CB-CD1 3.81Å; R190-I318 HydrophobicContact CG-CD1 3.79Å; R190-I322 HydrophobicContact CB-CD1 3.31Å; R190-I322 HydrophobicContact CG-CD1 3.37Å
191V98.3Very high93.8Very high0 Ų027.2 Ų27.20%013%0.125CC..EExtended strand (participates in β ladder)trans-130.9121.4-179.3-1720000110.1V189 V193 L287 Y289 F313 L316 I318 A319 V324 L325V189-V191 VanDerWaalsContact CG1-O 3.23Å; V189-V191 WeakPolarHBondContact CG1-O 3.06Å; V191-V193 HydrophobicContact CG1-CG2 4.42Å; V191-L287 CarbonylContact C-O 3.59Å; V191-L287 WeakPolarHBondContact CA-O 3.3Å; V191-Y289 HydrophobicContact CG1-CD2 4.41Å; V191-F313 HydrophobicContact CG1-CD2 4.19Å; V191-F313 HydrophobicContact CG1-CE2 3.93Å; V191-L316 HydrophobicContact CG1-CD1 3.91Å; V191-L316 HydrophobicContact CG2-CD1 3.9Å; V191-I318 HydrophobicContact CG2-CG2 3.94Å; V191-A319 HydrophobicContact CG2-CB 4.49Å; V191-V324 HydrophobicContact CB-CG1 4.4Å; V191-V324 HydrophobicContact CB-CG2 4.48Å; V191-V324 HydrophobicContact CG1-CG1 4.29Å; V191-L325 PolarHBondContact O-N 2.7Å
192V98.7Very high91.9Very high2 Ų231.6 Ų31.61%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-114119175.6-1760000108.8F180 I184 V189 Y227 V286 L287 Q288 Y289 L325F180-V192 HydrophobicContact CZ-CG1 4.45Å; I184-V192 HydrophobicContact CD1-CG2 3.92Å; I184-V192 HydrophobicContact CG1-CG2 4.25Å; V189-V192 HydrophobicContact CG1-CG2 3.98Å; V192-Y227 WeakPolarHBondContact CG1-OH 3.16Å; V192-V286 HydrophobicContact CG2-CG1 3.86Å; V192-L287 PolarHBondContact N-O 3.16Å; V192-Q288 HydrophobicContact CB-CG 4.5Å; V192-Q288 CarbonylContact O-C 3.56Å; V192-Q288 VanDerWaalsContact O-CA 3.3Å; V192-Q288 WeakPolarHBondContact O-CA 3.31Å; V192-Y289 PolarHBondContact O-N 2.97Å; V192-L325 CarbonylContact C-O 3.52Å; V192-L325 VanDerWaalsContact CA-O 3.29Å; V192-L325 WeakPolarHBondContact CA-O 3.43Å; V192-L325 HydrophobicContact CG1-CB 4.5Å; V192-L325 HydrophobicContact CG1-CD2 4.28Å; V192-L325 HydrophobicContact CG1-CG 4.29Å; V192-L325 HydrophobicContact CG2-CB 4.32Å; V192-L325 HydrophobicContact CG2-CD2 4.19Å
193V98.5Very high89.8Confident0 Ų038.4 Ų38.40%017%0.168CC..EExtended strand (participates in β ladder)trans-101115.3174.2-175.80000109.1V191 V195 Y289 F309 F313 V324 L325 V326 H327 F338V191-V193 HydrophobicContact CG1-CG2 4.42Å; V193-V195 HydrophobicContact CG1-CG1 3.89Å; V193-Y289 CarbonylContact C-O 3.43Å; V193-Y289 WeakPolarHBondContact CA-O 3.34Å; V193-F309 HydrophobicContact CG1-CE1 3.86Å; V193-F309 HydrophobicContact CG1-CZ 3.89Å; V193-F313 HydrophobicContact CG2-CD2 3.95Å; V193-F313 HydrophobicContact CG2-CE2 3.84Å; V193-F313 HydrophobicContact CG2-CZ 4.5Å; V193-V324 HydrophobicContact CG2-CG1 3.82Å; V193-L325 PolarHBondContact N-O 2.65Å; V193-V326 HydrophobicContact CB-CB 4.45Å; V193-V326 HydrophobicContact CB-CG1 4.18Å; V193-V326 HydrophobicContact CB-CG2 4.16Å; V193-V326 HydrophobicContact CG1-CG1 4.3Å; V193-V326 HydrophobicContact CG2-CG2 4.49Å; V193-V326 CarbonylContact O-C 3.57Å; V193-V326 WeakPolarHBondContact O-CA 3.46Å; V193-H327 PolarHBondContact O-N 3.44Å; V193-F338 HydrophobicContact CB-CE1 4.25Å; V193-F338 HydrophobicContact CB-CZ 4.31Å; V193-F338 HydrophobicContact CG1-CD1 4.21Å; V193-F338 HydrophobicContact CG1-CD2 4.14Å; V193-F338 HydrophobicContact CG1-CE1 3.87Å; V193-F338 HydrophobicContact CG1-CE2 3.79Å; V193-F338 HydrophobicContact CG1-CG 4.34Å; V193-F338 HydrophobicContact CG1-CZ 3.65Å; V193-F338 HydrophobicContact CG2-CE1 4.07Å; V193-F338 HydrophobicContact CG2-CZ 3.95Å
194M97.7Very high87.4Confident0 Ų042.2 Ų42.20%019%0.191CC..EExtended strand (participates in β ladder)trans-106113.9176.4177168.2178.100109.3T196 L198 C224 Y227 W228 Y289 H290 Y291 H327M194-T196 HydrophobicContact CE-CG2 4.01Å; M194-T196 WeakPolarHBondContact CE-O 3.34Å; M194-T196 HydrophobicContact CG-CG2 4.35Å; M194-L198 HydrophobicContact CE-CD2 3.93Å; M194-C224 HydrophobicContact CE-CB 4.03Å; M194-Y227 HydrophobicContact SD-CE1 3.99Å; M194-W228 HydrophobicContact CE-CH2 4.05Å; M194-W228 HydrophobicContact CE-CZ3 4.12Å; M194-W228 HydrophobicContact SD-CH2 3.92Å; M194-W228 HydrophobicContact SD-CZ3 3.73Å; M194-Y289 PolarHBondContact N-O 2.87Å; M194-H290 HydrophobicContact CB-CB 4.16Å; M194-H290 CarbonylContact O-C 3.58Å; M194-H290 VanDerWaalsContact O-CA 3.3Å; M194-H290 WeakPolarHBondContact O-CA 3.43Å; M194-Y291 PolarHBondContact O-N 3.43Å; M194-H327 WeakPolarHBondContact CB-NE2 3.45Å; M194-H327 WeakPolarHBondContact CG-CE1 3.48Å
195V95.4Very high84.7Confident0 Ų051 Ų510%022%0.224CC..  trans-11238.3-178.9-62.50000112.4V193 W294 F309 H327 C328 R334 F338V193-V195 HydrophobicContact CG1-CG1 3.89Å; V195-W294 HydrophobicContact CB-CE3 4.26Å; V195-W294 HydrophobicContact CB-CZ3 4.5Å; V195-F309 HydrophobicContact CG1-CE1 4.49Å; V195-H327 PolarHBondContact N-O 3.23Å; V195-C328 HydrophobicContact CG2-CB 3.84Å; V195-R334 HydrophobicContact CB-CB 4.45Å; V195-R334 HydrophobicContact CG2-CB 3.66Å; V195-R334 WeakPolarHBondContact O-CD 3.49Å; V195-F338 HydrophobicContact CG1-CB 4.31Å; V195-F338 HydrophobicContact CG1-CD2 4.17Å; V195-F338 HydrophobicContact CG1-CG 4.34Å
196T92.8Very high82Confident0 Ų055.2 Ų55.20%024%0.244CC..SBendtrans-146.3145.8175.3-169.20000109.5M194 E200 M223 C224 H290 C328 R334M194-T196 HydrophobicContact CE-CG2 4.01Å; M194-T196 WeakPolarHBondContact CE-O 3.34Å; M194-T196 HydrophobicContact CG-CG2 4.35Å; T196-E200 PolarHBondContact OG1-OE1 3.39Å; T196-M223 WeakPolarHBondContact OG1-CB 3.37Å; T196-C224 HydrophobicContact CG2-CB 3.88Å; T196-H290 PolarHBondContact O-NE2 2.82Å; T196-C328 VanDerWaalsContact CG2-C 3.49Å; T196-R334 PolarHBondContact OG1-NH1 2.75Å; T196-R334 VanDerWaalsContact OG1-NH1 3.16Å
197N91.3Very high79.2Confident18 Ų1858.9 Ų58.910%0.09627%0.27CS..  trans-75.7167166.2-71-59.1000109.9E200 M223 T292 Y295N197-E200 HydrophobicContact CB-CG 3.92Å; N197-E200 PolarHBondContact N-OE1 2.97Å; N197-M223 WeakPolarHBondContact O-CB 3.32Å; N197-T292 PolarHBondContact ND2-O 2.96Å; N197-T292 WeakPolarHBondContact OD1-CA 3.43Å; N197-Y295 WeakPolarHBondContact ND2-CE1 3.45Å
198L91.2Very high76.4Confident53 Ų5364.8 Ų64.828%0.27730%0.297SS..SBendtrans-66.9-44.1176.9-67.1177.5000111.8M194 M223 C224 I225 K226 W228M194-L198 HydrophobicContact CE-CD2 3.93Å; L198-M223 PolarHBondContact O-N 2.68Å; L198-C224 HydrophobicContact CD2-CB 4.34Å; L198-C224 PolarHBondContact O-N 3.39Å; L198-C224 VanDerWaalsContact O-O 3.11Å; L198-I225 WeakPolarHBondContact CD2-O 3.43Å; L198-K226 HydrophobicContact CD1-CB 3.97Å; L198-K226 HydrophobicContact CD1-CG 4.5Å; L198-K226 HydrophobicContact CD2-CB 4.31Å; L198-W228 HydrophobicContact CD1-CH2 4.37Å; L198-W228 HydrophobicContact CD2-CH2 3.84Å; L198-W228 HydrophobicContact CD2-CZ3 4.19Å; L198-W228 HydrophobicContact CG-CH2 4.29Å
199Q86.7Confident73.8Confident111 Ų11167.6 Ų67.652%0.51932%0.319SS..EExtended strand (participates in β ladder)trans-133.2138.8178.8-65.8179-34.700109.9L220 Q221Q199-L220 HydrophobicContact CB-CD2 3.78Å; Q199-L220 HydrophobicContact CB-CG 4.33Å; Q199-L220 HydrophobicContact CG-CD2 4.41Å; Q199-Q221 VanDerWaalsContact CA-O 3.3Å; Q199-Q221 WeakPolarHBondContact CA-O 3.4Å
200E80.4Confident71.2Confident9 Ų970.2 Ų70.24%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-133.5146-178.9-65-179-164.100110.4T196 N197 Y202 L220 Q221 M223 R334T196-E200 PolarHBondContact OG1-OE1 3.39Å; N197-E200 HydrophobicContact CB-CG 3.92Å; N197-E200 PolarHBondContact N-OE1 2.97Å; E200-Y202 PolarHBondContact O-N 2.73Å; E200-L220 WeakPolarHBondContact O-CA 3.24Å; E200-Q221 PolarHBondContact N-O 2.87Å; E200-Q221 PolarHBondContact O-N 3.32Å; E200-M223 HydrophobicContact CB-CG 3.9Å; E200-M223 HydrophobicContact CG-CG 3.78Å; E200-R334 IonicContact OE1-CZ 3.8Å; E200-R334 IonicContact OE1-NH1 3.47Å; E200-R334 PolarHBondContact OE1-NH1 2.82Å; E200-R334 IonicContact OE1-NH2 3.08Å; E200-R334 IonicContact OE2-CZ 3.27Å; E200-R334 IonicContact OE2-NH1 3.86Å; E200-R334 PolarHBondContact OE2-NH1 2.77Å; E200-R334 IonicContact OE2-NH2 3.24Å; E200-R334 PolarHBondContact OE2-NH2 3.33Å
201K69.5Low69.1Low148 Ų14874.7 Ų74.764%0.64337%0.371SS*.EExtended strand (participates in β ladder)trans-76117.7179.2-72.2-176.6179.6-174.70109.3R203 L220K201-R203 PolarHBondContact O-N 2.74Å; K201-L220 HydrophobicContact CG-CD1 3.77Å
202Y57.6Low66.7Low94 Ų9482 Ų8237%0.36941%0.409SS..  trans-79.9111.8173.8-162.9-91.5000110E200 V204 S218 S219 Y297E200-Y202 PolarHBondContact O-N 2.73Å; Y202-V204 HydrophobicContact CD1-CB 4.33Å; Y202-V204 HydrophobicContact CD1-CG2 3.51Å; Y202-V204 HydrophobicContact CE1-CB 4.19Å; Y202-V204 HydrophobicContact CE1-CG2 3.6Å; Y202-V204 PolarHBondContact O-N 3.01Å; Y202-S218 WeakPolarHBondContact O-CA 3.47Å; Y202-S218 WeakPolarHBondContact O-CB 3.18Å; Y202-S219 VanDerWaalsContact CB-O 3.3Å; Y202-S219 WeakPolarHBondContact CB-O 3.48Å; Y202-S219 PolarHBondContact N-O 2.81Å; Y202-Y297 HydrophobicContact CD2-CD2 4.24Å; Y202-Y297 AromaticContact CD2-CE2 3.59Å; Y202-Y297 HydrophobicContact CD2-CE2 3.59Å; Y202-Y297 HydrophobicContact CE2-CD2 4.25Å; Y202-Y297 AromaticContact CE2-CE2 3.8Å; Y202-Y297 HydrophobicContact CE2-CE2 3.8Å
203R51.9Low64.3Low174 Ų17486.4 Ų86.466%0.65744%0.436SS*.  trans-85.6100.6164.5-75.1-172.6179.3-174.92.6107.8K201 W205K201-R203 PolarHBondContact O-N 2.74Å; R203-W205 VanDerWaalsContact C-N 3.3Å; R203-W205 PolarHBondContact O-N 2.81Å
204V46.6Very low61.6Low81 Ų8191.9 Ų91.949%0.49147%0.471SS..  trans-65.898.6161.4-167.80000106.1Y202 H206Y202-V204 HydrophobicContact CD1-CB 4.33Å; Y202-V204 HydrophobicContact CD1-CG2 3.51Å; Y202-V204 HydrophobicContact CE1-CB 4.19Å; Y202-V204 HydrophobicContact CE1-CG2 3.6Å; Y202-V204 PolarHBondContact O-N 3.01Å; V204-H206 VanDerWaalsContact C-N 3.27Å; V204-H206 PolarHBondContact O-N 3.45Å
205W41Very low59Low186 Ų186100.7 Ų100.771%0.70551%0.51SS*.  trans-70.192.9163.8-95.492.5000106.8R203 T207R203-W205 VanDerWaalsContact C-N 3.3Å; R203-W205 PolarHBondContact O-N 2.81Å; W205-T207 PolarHBondContact O-N 2.78Å
206H39.3Very low56.6Low111 Ų111106.8 Ų106.851%0.51454%0.541SS..  trans-65118.4161.5-68.7-67.8000106.8V204 H208V204-H206 VanDerWaalsContact C-N 3.27Å; V204-H206 PolarHBondContact O-N 3.45Å; H206-H208 PolarHBondContact O-N 2.8Å
207T38.5Very low54.4Low122 Ų122112 Ų11275%0.74858%0.576SS**SBendtrans-58.9-10.7175.9440000112.9W205W205-T207 PolarHBondContact O-N 2.78Å
208H37Very low52.7Low161 Ų161113.3 Ų113.375%0.74559%0.586SS**SBendtrans-135.391.4173.8-61.4-36.9000111H206 S210H206-H208 PolarHBondContact O-N 2.8Å; H208-S210 PolarHBondContact O-N 2.85Å; H208-S210 VanDerWaalsContact O-N 3.07Å
209P41.6Very low51.3Low115 Ų115114.2 Ų114.275%0.74760%0.597SS**  trans-64.3109.6167.124-29.6000109.1
210S43.3Very low50.6Low55 Ų55113.5 Ų113.539%0.38560%0.596SS.*  trans-73.7134.8167.8172.40000109.3H208 L212 T213H208-S210 PolarHBondContact O-N 2.85Å; H208-S210 VanDerWaalsContact O-N 3.07Å; S210-L212 PolarHBondContact O-N 2.87Å; S210-L212 PolarHBondContact OG-N 3.38Å; S210-T213 PolarHBondContact O-N 2.78Å
211P54.2Low50.5Low128 Ų128116.1 Ų116.183%0.83161%0.608SS**THydrogen-bonded Turntrans-60.1-15.7174.917.4-25.2000113.8
212L47.6Very low51.2Low155 Ų155112.3 Ų112.381%0.81260%0.597SS**THydrogen-bonded Turntrans-90.5-8.2-179.2-65.2170.1000114.4S210S210-L212 PolarHBondContact O-N 2.87Å; S210-L212 PolarHBondContact OG-N 3.38Å
213T47.5Very low52.5Low94 Ų94107.9 Ų107.958%0.57758%0.58SS**SBendtrans-128.272.7176.857.30000110.2S210 F215S210-T213 PolarHBondContact O-N 2.78Å; T213-F215 PolarHBondContact O-N 2.81Å
214P42.6Very low54.4Low114 Ų11499.7 Ų99.774%0.7455%0.549SS*.  trans-67.4116.3176.326.9-30.2000109
215F43.1Very low56.6Low185 Ų18597.4 Ų97.481%0.81153%0.534SS*.  trans48.292.3165.6-101-97.5000115.8T213 P217T213-F215 PolarHBondContact O-N 2.81Å; F215-P217 WeakPolarHBondContact O-CD 3.47Å
216I45.3Very low59.2Low128 Ų12893.2 Ų93.266%0.65652%0.521SS*.  trans-64.8126.7156.5-59.3176.6000106.5S218I216-S218 PolarHBondContact O-N 3.35Å
217P45.8Very low61.9Low111 Ų11188 Ų8872%0.72150%0.496SS*.  trans-53.4128.7177.7-22.230.8000109.4F215 S219F215-P217 WeakPolarHBondContact O-CD 3.47Å; P217-S219 PolarHBondContact O-N 2.73Å
218S55.8Low64.7Low44 Ų4482.5 Ų82.531%0.30846%0.462SS..  trans-49112.7175.153.90000109.6Y202 I216 L220Y202-S218 WeakPolarHBondContact O-CA 3.47Å; Y202-S218 WeakPolarHBondContact O-CB 3.18Å; I216-S218 PolarHBondContact O-N 3.35Å; S218-L220 PolarHBondContact O-N 3.24Å
219S62Low67.5Low73 Ų7375.2 Ų75.251%0.5143%0.429SS..  trans-65128.7175.853.40000108.7Y202 P217 Q221Y202-S219 VanDerWaalsContact CB-O 3.3Å; Y202-S219 WeakPolarHBondContact CB-O 3.48Å; Y202-S219 PolarHBondContact N-O 2.81Å; P217-S219 PolarHBondContact O-N 2.73Å; S219-Q221 PolarHBondContact O-N 3.38Å
220L72.1Confident69.9Low96 Ų9671.4 Ų71.450%0.50340%0.401SS..EExtended strand (participates in β ladder)trans-67.8124.2169.9-109.779.1000108.5Q199 E200 K201 S218Q199-L220 HydrophobicContact CB-CD2 3.78Å; Q199-L220 HydrophobicContact CB-CG 4.33Å; Q199-L220 HydrophobicContact CG-CD2 4.41Å; E200-L220 WeakPolarHBondContact O-CA 3.24Å; K201-L220 HydrophobicContact CG-CD1 3.77Å; S218-L220 PolarHBondContact O-N 3.24Å
221Q79Confident72.1Confident63 Ų6376.8 Ų76.829%0.29442%0.42SS..EExtended strand (participates in β ladder)trans-104.4132.5174-171.9171.87.800109.9Q199 E200 S219 M223 Y297Q199-Q221 VanDerWaalsContact CA-O 3.3Å; Q199-Q221 WeakPolarHBondContact CA-O 3.4Å; E200-Q221 PolarHBondContact N-O 2.87Å; E200-Q221 PolarHBondContact O-N 3.32Å; S219-Q221 PolarHBondContact O-N 3.38Å; Q221-M223 HydrophobicContact CB-SD 4.24Å; Q221-M223 HydrophobicContact CG-SD 4.05Å; Q221-M223 PolarHBondContact O-N 3.15Å; Q221-Y297 PolarHBondContact NE2-OH 3.33Å; Q221-Y297 PolarHBondContact OE1-OH 3.34Å
222T83.9Confident74Confident68 Ų6873.8 Ų73.842%0.41741%0.406SS..EExtended strand (participates in β ladder)trans-75.6106.6173.1-58.80000109.4C224T222-C224 WeakPolarHBondContact CG2-O 3.41Å
223M84.9Confident76.3Confident2 Ų269.4 Ų69.41%0.0139%0.386CS..  trans-83.9-34-179.4-57.7-52.5-77.600111.7R123 T196 N197 L198 E200 Q221 Y297 S329R123-M223 PolarHBondContact NH1-O 3.3Å; T196-M223 WeakPolarHBondContact OG1-CB 3.37Å; N197-M223 WeakPolarHBondContact O-CB 3.32Å; L198-M223 PolarHBondContact O-N 2.68Å; E200-M223 HydrophobicContact CB-CG 3.9Å; E200-M223 HydrophobicContact CG-CG 3.78Å; Q221-M223 HydrophobicContact CB-SD 4.24Å; Q221-M223 HydrophobicContact CG-SD 4.05Å; Q221-M223 PolarHBondContact O-N 3.15Å; M223-Y297 HydrophobicContact CE-CE1 3.58Å; M223-Y297 HydrophobicContact CE-CE2 4.16Å; M223-Y297 WeakPolarHBondContact CE-OH 3.47Å; M223-Y297 HydrophobicContact SD-CE2 4.49Å; M223-Y297 PolarHBondContact SD-OH 3.38Å; M223-S329 WeakPolarHBondContact O-CA 3.38Å; M223-S329 WeakPolarHBondContact O-CB 3.45Å; M223-S329 PolarHBondContact O-OG 2.76Å
224C90.8Very high78.7Confident1 Ų167 Ų671%0.00737%0.373CS..SBendtrans-153.1154.1-179-1690000109.2M194 T196 L198 T222M194-C224 HydrophobicContact CE-CB 4.03Å; T196-C224 HydrophobicContact CG2-CB 3.88Å; L198-C224 HydrophobicContact CD2-CB 4.34Å; L198-C224 PolarHBondContact O-N 3.39Å; L198-C224 VanDerWaalsContact O-O 3.11Å; T222-C224 WeakPolarHBondContact CG2-O 3.41Å
225I93.1Very high81.3Confident34 Ų3465.2 Ų65.217%0.17436%0.36CS..  trans-91.4158.2169.576.3176.2000110.1P172 T173 L174 V177 L198 Y227P172-I225 HydrophobicContact CB-CD1 4.48Å; P172-I225 HydrophobicContact CB-CG1 4.26Å; P172-I225 WeakPolarHBondContact O-CG1 3.29Å; T173-I225 VanDerWaalsContact C-CD1 3.48Å; T173-I225 VanDerWaalsContact O-CD1 3.28Å; T173-I225 WeakPolarHBondContact O-CD1 3.33Å; L174-I225 HydrophobicContact CD2-CD1 4.18Å; V177-I225 HydrophobicContact CB-CD1 4.12Å; V177-I225 HydrophobicContact CG2-CD1 4.25Å; L198-I225 WeakPolarHBondContact CD2-O 3.43Å; I225-Y227 WeakPolarHBondContact O-CD1 3.4Å; I225-Y227 PolarHBondContact O-N 3.18Å
226K95.3Very high83.7Confident97 Ų9757.8 Ų57.842%0.42233%0.327SS..  trans-72.495.7168.3-172.3177.8-176.1167.90109L198 W228 E230L198-K226 HydrophobicContact CD1-CB 3.97Å; L198-K226 HydrophobicContact CD1-CG 4.5Å; L198-K226 HydrophobicContact CD2-CB 4.31Å; K226-W228 VanDerWaalsContact C-N 3.31Å; K226-W228 HydrophobicContact CG-CD2 3.99Å; K226-W228 HydrophobicContact CG-CE3 4.32Å; K226-W228 HydrophobicContact CG-CG 4.48Å; K226-W228 HydrophobicContact CG-CH2 4.36Å; K226-W228 HydrophobicContact CG-CZ2 4.02Å; K226-W228 HydrophobicContact CG-CZ3 4.49Å; K226-E230 WeakPolarHBondContact CE-OE2 3.44Å; K226-E230 IonicContact NZ-OE2 3.48Å; K226-E230 PolarHBondContact NZ-OE2 2.85Å
227Y97Very high85.9Confident2 Ų253.9 Ų53.91%0.00832%0.318CS..  trans-89.26.3-177.763.2-93.8000113.5P172 F180 W181 V192 M194 I225 Y236 Q288 H327P172-Y227 HydrophobicContact CG-CD1 3.81Å; P172-Y227 HydrophobicContact CG-CE1 4.45Å; P172-Y227 HydrophobicContact CG-CG 3.94Å; F180-Y227 AromaticContact CD1-CD2 3.9Å; F180-Y227 HydrophobicContact CD1-CD2 3.9Å; F180-Y227 HydrophobicContact CD1-CE2 4.04Å; F180-Y227 HydrophobicContact CD1-CG 4.38Å; F180-Y227 AromaticContact CE1-CD2 3.79Å; F180-Y227 HydrophobicContact CE1-CD2 3.79Å; F180-Y227 HydrophobicContact CE1-CE1 4.33Å; F180-Y227 AromaticContact CE1-CE2 3.45Å; F180-Y227 HydrophobicContact CE1-CE2 3.45Å; F180-Y227 VanDerWaalsContact CE1-CE2 3.45Å; F180-Y227 HydrophobicContact CE1-CG 4.36Å; F180-Y227 AromaticContact CE1-CZ 3.73Å; F180-Y227 HydrophobicContact CZ-CE2 4.4Å; W181-Y227 HydrophobicContact CZ2-CD2 4.09Å; W181-Y227 HydrophobicContact CZ2-CE2 4.4Å; W181-Y227 PolarHBondContact NE1-O 2.81Å; V192-Y227 WeakPolarHBondContact CG1-OH 3.16Å; M194-Y227 HydrophobicContact SD-CE1 3.99Å; I225-Y227 WeakPolarHBondContact O-CD1 3.4Å; I225-Y227 PolarHBondContact O-N 3.18Å; Y227-Y236 PolarHBondContact O-OH 3.5Å; Y227-Q288 PolarHBondContact OH-NE2 2.88Å; Y227-H327 AromaticContact CE1-CE1 3.52Å; Y227-H327 AromaticContact CE1-NE2 3.52Å; Y227-H327 AromaticContact CZ-NE2 3.51Å; Y227-H327 PolarHBondContact OH-NE2 2.85Å
228W97.7Very high88.1Confident7 Ų752.8 Ų52.83%0.02730%0.302CS..SBendtrans-124.8150-17765.390.2000111.7W181 M194 L198 K226 E230 Y236 F257W181-W228 HydrophobicContact CZ2-CB 4.37Å; M194-W228 HydrophobicContact CE-CH2 4.05Å; M194-W228 HydrophobicContact CE-CZ3 4.12Å; M194-W228 HydrophobicContact SD-CH2 3.92Å; M194-W228 HydrophobicContact SD-CZ3 3.73Å; L198-W228 HydrophobicContact CD1-CH2 4.37Å; L198-W228 HydrophobicContact CD2-CH2 3.84Å; L198-W228 HydrophobicContact CD2-CZ3 4.19Å; L198-W228 HydrophobicContact CG-CH2 4.29Å; K226-W228 VanDerWaalsContact C-N 3.31Å; K226-W228 HydrophobicContact CG-CD2 3.99Å; K226-W228 HydrophobicContact CG-CE3 4.32Å; K226-W228 HydrophobicContact CG-CG 4.48Å; K226-W228 HydrophobicContact CG-CH2 4.36Å; K226-W228 HydrophobicContact CG-CZ2 4.02Å; K226-W228 HydrophobicContact CG-CZ3 4.49Å; W228-E230 PolarHBondContact NE1-OE2 3.37Å; W228-Y236 VanDerWaalsContact C-OH 3.31Å; W228-F257 HydrophobicContact CB-CE1 3.87Å; W228-F257 HydrophobicContact CB-CE2 4.33Å; W228-F257 HydrophobicContact CB-CZ 3.57Å; W228-F257 AromaticContact CD1-CZ 3.8Å; W228-F257 HydrophobicContact CG-CE1 4.3Å; W228-F257 AromaticContact CG-CZ 3.79Å; W228-F257 HydrophobicContact CG-CZ 3.79Å
229P96.1Very high90Very high8 Ų850.9 Ų50.95%0.05229%0.289CS..  trans-73.6145.2171.628.5-29.6000111.6A232 V241 P243P229-A232 WeakPolarHBondContact CB-O 3.17Å; P229-V241 HydrophobicContact CG-CB 4.17Å; P229-V241 HydrophobicContact CG-CG1 3.78Å; P229-V241 WeakPolarHBondContact CG-O 3.21Å; P229-P243 HydrophobicContact CB-CG 4.46Å; P229-P243 HydrophobicContact CG-CG 4.48Å
230E90Very high91.6Very high35 Ų3549.4 Ų49.416%0.16427%0.273CS..SBendtrans-101.5-40.2175.2-15575.6-136.600113.1K226 W228 R255K226-E230 WeakPolarHBondContact CE-OE2 3.44Å; K226-E230 IonicContact NZ-OE2 3.48Å; K226-E230 PolarHBondContact NZ-OE2 2.85Å; W228-E230 PolarHBondContact NE1-OE2 3.37Å; E230-R255 IonicContact OE1-NE 3.39Å
231H90.6Very high92.9Very high167 Ų16744.8 Ų44.877%0.77325%0.249SC*.SBendtrans-120.4-39.1-169.9-56.1-52000113.7
232A94.2Very high93.7Very high66 Ų6647.1 Ų47.155%0.54526%0.259SS..SBendtrans-125.3148.4-176.200000110.4P229 S234P229-A232 WeakPolarHBondContact CB-O 3.17Å; A232-S234 PolarHBondContact O-N 3.23Å; A232-S234 PolarHBondContact O-OG 2.95Å
233T96.5Very high94.4Very high63 Ų6344.9 Ų44.939%0.38725%0.245SC..  trans-49.6134.6171.2-58.30000110.7E240 V241 K242T233-E240 HydrophobicContact CG2-CG 3.2Å; T233-V241 WeakPolarHBondContact CA-O 3.33Å; T233-K242 HydrophobicContact CG2-CB 4.3Å
234S97.1Very high95Very high43 Ų4348.8 Ų48.830%0.30127%0.269SS..EExtended strand (participates in β ladder)trans-129.7150.5177.7-64.80000110.3A232 V241A232-S234 PolarHBondContact O-N 3.23Å; A232-S234 PolarHBondContact O-OG 2.95Å; S234-V241 PolarHBondContact N-O 2.88Å; S234-V241 PolarHBondContact O-N 3.32Å
235T96.3Very high95.2Very high76 Ų7653.3 Ų53.347%0.46629%0.293SS..EExtended strand (participates in β ladder)trans-110.9125.7179.5-530000110.1G237 I239 L262T235-G237 WeakPolarHBondContact CG2-O 3.18Å; T235-I239 WeakPolarHBondContact CA-O 3.45Å; T235-L262 HydrophobicContact CG2-CD1 3.68Å
236Y95Very high95.2Very high29 Ų2957 Ų5711%0.11431%0.305CS..EExtended strand (participates in β ladder)trans-114.498.4177.2-57-86.8000108.6V177 N178 W181 Y227 W228 K238 I239 V241V177-Y236 HydrophobicContact CG1-CD1 4.28Å; V177-Y236 HydrophobicContact CG2-CD1 3.7Å; V177-Y236 HydrophobicContact CG2-CE1 3.89Å; N178-Y236 VanDerWaalsContact OD1-CA 3.27Å; N178-Y236 WeakPolarHBondContact OD1-CA 3.29Å; W181-Y236 VanDerWaalsContact CD1-CB 3.5Å; W181-Y236 AromaticContact CD1-CD1 3.88Å; W181-Y236 AromaticContact CD1-CD2 3.53Å; W181-Y236 AromaticContact CD1-CG 3.34Å; W181-Y236 HydrophobicContact CG-CD2 4.18Å; W181-Y236 HydrophobicContact CG-CG 4.18Å; W181-Y236 AromaticContact NE1-CD2 3.46Å; W181-Y236 AromaticContact NE1-CE2 3.66Å; W181-Y236 AromaticContact NE1-CG 3.67Å; Y227-Y236 PolarHBondContact O-OH 3.5Å; W228-Y236 VanDerWaalsContact C-OH 3.31Å; Y236-K238 PolarHBondContact O-N 3.23Å; Y236-K238 VanDerWaalsContact O-N 3.08Å; Y236-I239 PolarHBondContact N-O 3.43Å; Y236-I239 PolarHBondContact O-N 3.19Å; Y236-V241 HydrophobicContact CD2-CB 4.17Å; Y236-V241 HydrophobicContact CD2-CG2 3.64Å; Y236-V241 HydrophobicContact CE2-CB 4Å; Y236-V241 HydrophobicContact CE2-CG2 3.94Å
237G91.8Very high95Very high47 Ų4754.8 Ų54.849%0.48530%0.301SS..THydrogen-bonded Turntrans61.7-110.2-17100000111.4N178 T235N178-G237 PolarHBondContact OD1-N 2.97Å; T235-G237 WeakPolarHBondContact CG2-O 3.18Å
238K91.2Very high94.6Very high88 Ų8859.6 Ų59.638%0.38332%0.323SS..THydrogen-bonded Turntrans-99.1-2.5179-65.4171.9179.3173.40113.3S140 Y236 L262 A263S140-K238 PolarHBondContact OG-NZ 2.83Å; Y236-K238 PolarHBondContact O-N 3.23Å; Y236-K238 VanDerWaalsContact O-N 3.08Å; K238-L262 WeakPolarHBondContact O-CB 3.03Å; K238-L262 WeakPolarHBondContact O-CG 3.42Å; K238-L262 PolarHBondContact O-N 2.92Å; K238-A263 HydrophobicContact CD-CB 4.12Å
239I95.1Very high94.2Very high4 Ų461 Ų612%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-103.6120.5-175.4-53.1-55.7000108.8W181 W185 T235 Y236 V241 I259 R260 C261W181-I239 HydrophobicContact CB-CB 4.23Å; W181-I239 HydrophobicContact CB-CG1 4.37Å; W181-I239 HydrophobicContact CB-CG2 4.43Å; W185-I239 HydrophobicContact CB-CD1 3.76Å; W185-I239 HydrophobicContact CB-CG1 4.28Å; W185-I239 HydrophobicContact CD2-CD1 3.86Å; W185-I239 HydrophobicContact CE3-CD1 4.25Å; W185-I239 HydrophobicContact CG-CD1 3.61Å; T235-I239 WeakPolarHBondContact CA-O 3.45Å; Y236-I239 PolarHBondContact N-O 3.43Å; Y236-I239 PolarHBondContact O-N 3.19Å; I239-V241 HydrophobicContact CG2-CG2 4.1Å; I239-I259 HydrophobicContact CG2-CB 4.19Å; I239-R260 WeakPolarHBondContact CA-O 3.28Å; I239-C261 HydrophobicContact CD1-CB 3.86Å
240E96.4Very high93.5Very high41 Ų4161.7 Ų61.719%0.19233%0.334CS..EExtended strand (participates in β ladder)trans-87.3133167.4-175.9-175.995.500109.3T233 I259 R260 L262T233-E240 HydrophobicContact CG2-CG 3.2Å; E240-I259 VanDerWaalsContact O-CA 3.24Å; E240-I259 WeakPolarHBondContact O-CA 3.29Å; E240-R260 HydrophobicContact CB-CG 3.82Å; E240-R260 PolarHBondContact N-O 2.84Å; E240-R260 PolarHBondContact O-N 2.98Å; E240-R260 IonicContact OE1-CZ 3.04Å; E240-R260 IonicContact OE1-NE 3.61Å; E240-R260 PolarHBondContact OE1-NE 2.75Å; E240-R260 IonicContact OE1-NH2 2.71Å; E240-R260 PolarHBondContact OE1-NH2 3.02Å; E240-R260 IonicContact OE2-CZ 2.8Å; E240-R260 IonicContact OE2-NE 2.75Å; E240-R260 IonicContact OE2-NH2 2.99Å; E240-R260 PolarHBondContact OE2-NH2 3.24Å; E240-L262 HydrophobicContact CB-CD2 4.12Å; E240-L262 HydrophobicContact CB-CG 4.42Å
241V98.2Very high93.4Very high0 Ų060.5 Ų60.50%033%0.329CS..EExtended strand (participates in β ladder)trans-122.7119.6-179.9-176.80000108.3W181 P229 T233 S234 Y236 I239 F257 I259W181-V241 HydrophobicContact CD2-CG2 3.64Å; W181-V241 HydrophobicContact CE3-CG2 3.73Å; W181-V241 HydrophobicContact CG-CG2 4.28Å; W181-V241 HydrophobicContact CH2-CB 4.44Å; W181-V241 HydrophobicContact CH2-CG1 3.59Å; W181-V241 HydrophobicContact CH2-CG2 3.95Å; W181-V241 HydrophobicContact CZ2-CB 4.38Å; W181-V241 HydrophobicContact CZ2-CG1 3.75Å; W181-V241 HydrophobicContact CZ2-CG2 3.86Å; W181-V241 HydrophobicContact CZ3-CG1 4.17Å; W181-V241 HydrophobicContact CZ3-CG2 3.89Å; P229-V241 HydrophobicContact CG-CB 4.17Å; P229-V241 HydrophobicContact CG-CG1 3.78Å; P229-V241 WeakPolarHBondContact CG-O 3.21Å; T233-V241 WeakPolarHBondContact CA-O 3.33Å; S234-V241 PolarHBondContact N-O 2.88Å; S234-V241 PolarHBondContact O-N 3.32Å; Y236-V241 HydrophobicContact CD2-CB 4.17Å; Y236-V241 HydrophobicContact CD2-CG2 3.64Å; Y236-V241 HydrophobicContact CE2-CB 4Å; Y236-V241 HydrophobicContact CE2-CG2 3.94Å; I239-V241 HydrophobicContact CG2-CG2 4.1Å; V241-F257 HydrophobicContact CG1-CB 3.99Å; V241-F257 HydrophobicContact CG1-CD1 3.91Å; V241-F257 HydrophobicContact CG1-CG 4.1Å; V241-I259 HydrophobicContact CB-CG2 4.27Å; V241-I259 HydrophobicContact CG1-CG2 4.04Å; V241-I259 HydrophobicContact CG2-CG2 3.91Å
242K97.4Very high93.5Very high112 Ų11252.8 Ų52.849%0.48729%0.293SS..EExtended strand (participates in β ladder)trans-110.3123.8177.6178.7177.9178-174.20109.6T233 V244 F257 S258T233-K242 HydrophobicContact CG2-CB 4.3Å; K242-V244 PolarHBondContact O-N 2.84Å; K242-F257 CarbonylContact O-C 3.51Å; K242-F257 VanDerWaalsContact O-CA 3.3Å; K242-F257 WeakPolarHBondContact O-CA 3.47Å; K242-S258 PolarHBondContact N-O 3.3Å; K242-S258 PolarHBondContact O-N 3.42Å
243P97.4Very high93.5Very high20 Ų2050 Ų5013%0.1327%0.269CS..EExtended strand (participates in β ladder)trans-66.4133.1170.629.4-31.3000109.5P229 F257P229-P243 HydrophobicContact CB-CG 4.46Å; P229-P243 HydrophobicContact CG-CG 4.48Å; P243-F257 HydrophobicContact CB-CD1 4.42Å; P243-F257 HydrophobicContact CB-CE1 4.45Å
244V96.9Very high93.5Very high84 Ų8448 Ų4851%0.50926%0.256SS..EExtended strand (participates in β ladder)trans-109-54.5-179.3176.80000110.5K242 S256K242-V244 PolarHBondContact O-N 2.84Å; V244-S256 WeakPolarHBondContact CB-O 3.35Å; V244-S256 PolarHBondContact N-O 3.34Å
245D95.1Very high93.5Very high96 Ų9646.9 Ų46.951%0.51325%0.245SC..EExtended strand (participates in β ladder)trans-155.4160.2-176.1-173.132.1000111.3R255 S256D245-R255 CarbonylContact O-C 3.6Å; D245-R255 WeakPolarHBondContact O-CA 3.32Å; D245-S256 PolarHBondContact N-O 2.88Å; D245-S256 PolarHBondContact O-N 3.22Å
246W93.6Very high93.6Very high111 Ų11144.2 Ų44.242%0.4223%0.229SC..EExtended strand (participates in β ladder)trans-151.7144.9172.759.583.6000112.5F248 I254 R255W246-F248 AromaticContact CD1-CD2 3.75Å; W246-F248 AromaticContact CD1-CE2 3.24Å; W246-F248 HydrophobicContact CG-CE2 4.31Å; W246-F248 AromaticContact NE1-CE2 3.6Å; W246-I254 CarbonylContact C-O 3.45Å; W246-I254 WeakPolarHBondContact CA-O 3.46Å; W246-R255 HydrophobicContact CB-CB 4.49Å; W246-R255 HydrophobicContact CB-CG 4Å
247S92.2Very high93.8Very high51 Ų5143 Ų4336%0.35723%0.225SC..EExtended strand (participates in β ladder)trans-126.8123.9177.6-70.10000110.4V253 I254S247-V253 WeakPolarHBondContact O-CA 3.45Å; S247-V253 WeakPolarHBondContact O-CG1 3.41Å; S247-I254 PolarHBondContact N-O 3.48Å; S247-I254 PolarHBondContact O-N 3.48Å
248F88.6Confident94Very high104 Ų10442.4 Ų42.446%0.45621%0.213SC..EExtended strand (participates in β ladder)trans-95.7125.8177.5-70.1-82.6000111.1W246 V253W246-F248 AromaticContact CD1-CD2 3.75Å; W246-F248 AromaticContact CD1-CE2 3.24Å; W246-F248 HydrophobicContact CG-CE2 4.31Å; W246-F248 AromaticContact NE1-CE2 3.6Å; F248-V253 HydrophobicContact CD1-CB 4.28Å; F248-V253 HydrophobicContact CD1-CG1 3.77Å; F248-V253 HydrophobicContact CD1-CG2 3.5Å; F248-V253 HydrophobicContact CE1-CB 4.49Å; F248-V253 HydrophobicContact CE1-CG1 3.79Å; F248-V253 HydrophobicContact CE1-CG2 3.82Å; F248-V253 HydrophobicContact CG-CG1 4.34Å; F248-V253 HydrophobicContact CZ-CG1 4.4Å
249F88.1Confident94.3Very high37 Ų3738.2 Ų38.216%0.16219%0.194CC..  trans-116168.6173.6-54-94.7000109.8D251 Y252 I254 E672F249-D251 VanDerWaalsContact C-N 3.31Å; F249-D251 PolarHBondContact O-N 3.43Å; F249-Y252 CarbonylContact C-O 3.55Å; F249-Y252 WeakPolarHBondContact CA-O 3.21Å; F249-Y252 HydrophobicContact CB-CD1 4.03Å; F249-Y252 HydrophobicContact CB-CD2 4.01Å; F249-Y252 HydrophobicContact CB-CE1 3.86Å; F249-Y252 HydrophobicContact CB-CE2 3.86Å; F249-Y252 HydrophobicContact CB-CG 4.08Å; F249-Y252 VanDerWaalsContact CB-O 3.27Å; F249-Y252 WeakPolarHBondContact CB-O 3.24Å; F249-Y252 AromaticContact CD1-CE2 3.93Å; F249-Y252 HydrophobicContact CD1-CE2 3.93Å; F249-Y252 AromaticContact CD1-CZ 3.75Å; F249-Y252 WeakPolarHBondContact CD1-OH 3.28Å; F249-Y252 AromaticContact CD2-CD2 3.39Å; F249-Y252 HydrophobicContact CD2-CD2 3.39Å; F249-Y252 AromaticContact CD2-CE2 3.07Å; F249-Y252 HydrophobicContact CD2-CE2 3.07Å; F249-Y252 HydrophobicContact CD2-CG 4.28Å; F249-Y252 AromaticContact CD2-CZ 3.75Å; F249-Y252 HydrophobicContact CE1-CE2 4.26Å; F249-Y252 HydrophobicContact CE2-CD2 4.06Å; F249-Y252 AromaticContact CE2-CE2 3.47Å; F249-Y252 HydrophobicContact CE2-CE2 3.47Å; F249-Y252 VanDerWaalsContact CE2-CE2 3.47Å; F249-Y252 AromaticContact CG-CD2 3.85Å; F249-Y252 HydrophobicContact CG-CD2 3.85Å; F249-Y252 HydrophobicContact CG-CE1 4.11Å; F249-Y252 AromaticContact CG-CE2 3.33Å; F249-Y252 HydrophobicContact CG-CE2 3.33Å; F249-Y252 HydrophobicContact CG-CG 4.41Å; F249-Y252 AromaticContact CG-CZ 3.46Å; F249-Y252 VanDerWaalsContact CG-CZ 3.46Å; F249-Y252 HydrophobicContact CZ-CE2 4.05Å; F249-Y252 PolarHBondContact N-O 3.39Å; F249-I254 HydrophobicContact CE2-CB 4.34Å; F249-I254 HydrophobicContact CE2-CD1 3.79Å; F249-I254 HydrophobicContact CE2-CG1 3.94Å; F249-I254 HydrophobicContact CZ-CD1 4.28Å; F249-E672 HydrophobicContact CD1-CG 3.69Å; F249-E672 HydrophobicContact CE1-CG 3.88Å
250C82.6Confident94.3Very high22 Ų2241.1 Ų41.115%0.14921%0.205CC..SBendtrans-60.2-37.4-178.2179.40000113.3R490 Y492C250-R490 PolarHBondContact O-NH2 2.77Å; C250-Y492 HydrophobicContact CB-CD1 4.45Å; C250-Y492 HydrophobicContact CB-CD2 3.84Å; C250-Y492 HydrophobicContact CB-CE1 4.49Å; C250-Y492 HydrophobicContact CB-CE2 3.86Å; C250-Y492 HydrophobicContact CB-CG 4.14Å
251D86.8Confident94Very high10 Ų1040 Ų405%0.05320%0.202CC..SBendtrans-113.1-6.4-175.6-68.5-69.2000114.7F249 Y291 T292 G293 G305 R308 R490F249-D251 VanDerWaalsContact C-N 3.31Å; F249-D251 PolarHBondContact O-N 3.43Å; D251-Y291 HydrophobicContact CB-CD2 4.4Å; D251-Y291 HydrophobicContact CB-CE2 3.76Å; D251-Y291 VanDerWaalsContact O-CD2 3.26Å; D251-Y291 WeakPolarHBondContact O-CD2 3.28Å; D251-T292 PolarHBondContact O-N 3.26Å; D251-T292 PolarHBondContact O-OG1 3.17Å; D251-T292 VanDerWaalsContact O-OG1 3.1Å; D251-G293 PolarHBondContact O-N 2.91Å; D251-G305 VanDerWaalsContact OD2-CA 3.32Å; D251-G305 WeakPolarHBondContact OD2-CA 3.29Å; D251-R308 IonicContact OD2-CZ 3.36Å; D251-R308 IonicContact OD2-NH2 3.65Å; D251-R308 PolarHBondContact OD2-NH2 3.25Å; D251-R490 IonicContact OD1-CZ 2.62Å; D251-R490 IonicContact OD1-NH1 2.86Å; D251-R490 PolarHBondContact OD1-NH1 3.38Å; D251-R490 IonicContact OD1-NH2 3.34Å; D251-R490 PolarHBondContact OD1-NH2 3.13Å
252Y92.7Very high93.5Very high4 Ų442.5 Ų42.52%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-159165.9-17461.1-88.8000112.6F249 I254 H290 T292 R308 F309 Q312F249-Y252 CarbonylContact C-O 3.55Å; F249-Y252 WeakPolarHBondContact CA-O 3.21Å; F249-Y252 HydrophobicContact CB-CD1 4.03Å; F249-Y252 HydrophobicContact CB-CD2 4.01Å; F249-Y252 HydrophobicContact CB-CE1 3.86Å; F249-Y252 HydrophobicContact CB-CE2 3.86Å; F249-Y252 HydrophobicContact CB-CG 4.08Å; F249-Y252 VanDerWaalsContact CB-O 3.27Å; F249-Y252 WeakPolarHBondContact CB-O 3.24Å; F249-Y252 AromaticContact CD1-CE2 3.93Å; F249-Y252 HydrophobicContact CD1-CE2 3.93Å; F249-Y252 AromaticContact CD1-CZ 3.75Å; F249-Y252 WeakPolarHBondContact CD1-OH 3.28Å; F249-Y252 AromaticContact CD2-CD2 3.39Å; F249-Y252 HydrophobicContact CD2-CD2 3.39Å; F249-Y252 AromaticContact CD2-CE2 3.07Å; F249-Y252 HydrophobicContact CD2-CE2 3.07Å; F249-Y252 HydrophobicContact CD2-CG 4.28Å; F249-Y252 AromaticContact CD2-CZ 3.75Å; F249-Y252 HydrophobicContact CE1-CE2 4.26Å; F249-Y252 HydrophobicContact CE2-CD2 4.06Å; F249-Y252 AromaticContact CE2-CE2 3.47Å; F249-Y252 HydrophobicContact CE2-CE2 3.47Å; F249-Y252 VanDerWaalsContact CE2-CE2 3.47Å; F249-Y252 AromaticContact CG-CD2 3.85Å; F249-Y252 HydrophobicContact CG-CD2 3.85Å; F249-Y252 HydrophobicContact CG-CE1 4.11Å; F249-Y252 AromaticContact CG-CE2 3.33Å; F249-Y252 HydrophobicContact CG-CE2 3.33Å; F249-Y252 HydrophobicContact CG-CG 4.41Å; F249-Y252 AromaticContact CG-CZ 3.46Å; F249-Y252 VanDerWaalsContact CG-CZ 3.46Å; F249-Y252 HydrophobicContact CZ-CE2 4.05Å; F249-Y252 PolarHBondContact N-O 3.39Å; Y252-I254 HydrophobicContact CD2-CD1 4.34Å; Y252-I254 HydrophobicContact CD2-CG1 4.01Å; Y252-I254 HydrophobicContact CE2-CD1 3.91Å; Y252-I254 HydrophobicContact CE2-CG1 4.08Å; Y252-H290 CarbonylContact C-O 3.56Å; Y252-H290 WeakPolarHBondContact CA-O 3.11Å; Y252-H290 VanDerWaalsContact CB-O 3.28Å; Y252-H290 WeakPolarHBondContact CB-O 3.28Å; Y252-T292 PolarHBondContact N-OG1 3Å; Y252-R308 HydrophobicContact CE1-CG 4.4Å; Y252-F309 VanDerWaalsContact CB-CD2 3.46Å; Y252-F309 HydrophobicContact CD1-CB 3.93Å; Y252-F309 AromaticContact CD1-CD2 3.91Å; Y252-F309 HydrophobicContact CD1-CD2 3.91Å; Y252-F309 HydrophobicContact CD1-CG 4.41Å; Y252-F309 AromaticContact CD2-CD2 3.82Å; Y252-F309 HydrophobicContact CD2-CD2 3.82Å; Y252-F309 HydrophobicContact CD2-CE2 4.34Å; Y252-F309 HydrophobicContact CE1-CB 4.36Å; Y252-F309 HydrophobicContact CG-CB 4.38Å; Y252-F309 AromaticContact CG-CD2 3.48Å; Y252-F309 HydrophobicContact CG-CD2 3.48Å; Y252-F309 VanDerWaalsContact CG-CD2 3.48Å; Y252-F309 HydrophobicContact CG-CE2 4.2Å; Y252-F309 HydrophobicContact CG-CG 4.37Å; Y252-Q312 HydrophobicContact CE2-CG 4.36Å
253V94.4Very high92.5Very high7 Ų740.1 Ų40.14%0.04222%0.216CC..EExtended strand (participates in β ladder)trans-130.2135.3175.7-171.20000108.4S247 F248 R255 H290 T292S247-V253 WeakPolarHBondContact O-CA 3.45Å; S247-V253 WeakPolarHBondContact O-CG1 3.41Å; F248-V253 HydrophobicContact CD1-CB 4.28Å; F248-V253 HydrophobicContact CD1-CG1 3.77Å; F248-V253 HydrophobicContact CD1-CG2 3.5Å; F248-V253 HydrophobicContact CE1-CB 4.49Å; F248-V253 HydrophobicContact CE1-CG1 3.79Å; F248-V253 HydrophobicContact CE1-CG2 3.82Å; F248-V253 HydrophobicContact CG-CG1 4.34Å; F248-V253 HydrophobicContact CZ-CG1 4.4Å; V253-R255 HydrophobicContact CG1-CG 4.16Å; V253-H290 PolarHBondContact N-O 2.82Å; V253-H290 PolarHBondContact O-N 2.92Å; V253-T292 HydrophobicContact CG2-CG2 4.08Å
254I96.5Very high91Very high22 Ų2242.8 Ų42.811%0.11323%0.229CC..EExtended strand (participates in β ladder)trans-108.2127.6171.3-59.4175.8000107.4W246 S247 F249 Y252 Q288 Y289 Q312W246-I254 CarbonylContact C-O 3.45Å; W246-I254 WeakPolarHBondContact CA-O 3.46Å; S247-I254 PolarHBondContact N-O 3.48Å; S247-I254 PolarHBondContact O-N 3.48Å; F249-I254 HydrophobicContact CE2-CB 4.34Å; F249-I254 HydrophobicContact CE2-CD1 3.79Å; F249-I254 HydrophobicContact CE2-CG1 3.94Å; F249-I254 HydrophobicContact CZ-CD1 4.28Å; Y252-I254 HydrophobicContact CD2-CD1 4.34Å; Y252-I254 HydrophobicContact CD2-CG1 4.01Å; Y252-I254 HydrophobicContact CE2-CD1 3.91Å; Y252-I254 HydrophobicContact CE2-CG1 4.08Å; I254-Q288 CarbonylContact C-O 3.48Å; I254-Q288 WeakPolarHBondContact CA-O 3.28Å; I254-Y289 HydrophobicContact CD1-CD1 4.19Å; I254-Y289 HydrophobicContact CD1-CE1 3.64Å; I254-Y289 HydrophobicContact CD1-CE2 4.29Å; I254-Y289 HydrophobicContact CG1-CD1 4.14Å; I254-Y289 HydrophobicContact CG1-CD2 4.46Å; I254-Y289 HydrophobicContact CG1-CE1 4.07Å; I254-Y289 HydrophobicContact CG1-CE2 4.34Å; I254-Y289 HydrophobicContact CG1-CG 4.35Å; I254-Y289 HydrophobicContact CG2-CD2 4.22Å; I254-Y289 HydrophobicContact CG2-CE2 3.85Å; I254-Q312 HydrophobicContact CD1-CG 3.87Å
255R97.8Very high89.1Confident20 Ų2043.3 Ų43.38%0.07523%0.226CC..EExtended strand (participates in β ladder)trans-120145173.7-57-174.1-179.868.69.1110E230 D245 W246 V253 F257 L287 Q288E230-R255 IonicContact OE1-NE 3.39Å; D245-R255 CarbonylContact O-C 3.6Å; D245-R255 WeakPolarHBondContact O-CA 3.32Å; W246-R255 HydrophobicContact CB-CB 4.49Å; W246-R255 HydrophobicContact CB-CG 4Å; V253-R255 HydrophobicContact CG1-CG 4.16Å; R255-F257 HydrophobicContact CB-CE1 4.45Å; R255-F257 HydrophobicContact CB-CE2 3.67Å; R255-F257 HydrophobicContact CB-CZ 3.61Å; R255-F257 HydrophobicContact CG-CZ 4.33Å; R255-L287 CarbonylContact O-C 3.55Å; R255-L287 WeakPolarHBondContact O-CA 3.48Å; R255-Q288 HydrophobicContact CB-CB 4.33Å; R255-Q288 PolarHBondContact N-O 3.01Å; R255-Q288 PolarHBondContact O-N 2.8Å
256S97.7Very high87Confident20 Ų2040.9 Ų40.914%0.1422%0.216CC..EExtended strand (participates in β ladder)trans-115.5131.3174.1-176.60000109.7V244 D245V244-S256 WeakPolarHBondContact CB-O 3.35Å; V244-S256 PolarHBondContact N-O 3.34Å; D245-S256 PolarHBondContact N-O 2.88Å; D245-S256 PolarHBondContact O-N 3.22Å
257F98.4Very high85.1Confident4 Ų441 Ų412%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-124.8141.3178.5-54.6-77000110.2W181 W228 V241 K242 P243 R255 I259 T285 V286 Q288W181-F257 HydrophobicContact CH2-CD2 4.39Å; W181-F257 HydrophobicContact CH2-CG 4.49Å; W228-F257 HydrophobicContact CB-CE1 3.87Å; W228-F257 HydrophobicContact CB-CE2 4.33Å; W228-F257 HydrophobicContact CB-CZ 3.57Å; W228-F257 AromaticContact CD1-CZ 3.8Å; W228-F257 HydrophobicContact CG-CE1 4.3Å; W228-F257 AromaticContact CG-CZ 3.79Å; W228-F257 HydrophobicContact CG-CZ 3.79Å; V241-F257 HydrophobicContact CG1-CB 3.99Å; V241-F257 HydrophobicContact CG1-CD1 3.91Å; V241-F257 HydrophobicContact CG1-CG 4.1Å; K242-F257 CarbonylContact O-C 3.51Å; K242-F257 VanDerWaalsContact O-CA 3.3Å; K242-F257 WeakPolarHBondContact O-CA 3.47Å; P243-F257 HydrophobicContact CB-CD1 4.42Å; P243-F257 HydrophobicContact CB-CE1 4.45Å; R255-F257 HydrophobicContact CB-CE1 4.45Å; R255-F257 HydrophobicContact CB-CE2 3.67Å; R255-F257 HydrophobicContact CB-CZ 3.61Å; R255-F257 HydrophobicContact CG-CZ 4.33Å; F257-I259 HydrophobicContact CB-CG2 4.37Å; F257-T285 CarbonylContact O-C 3.51Å; F257-T285 VanDerWaalsContact O-CA 3.32Å; F257-T285 WeakPolarHBondContact O-CA 3.45Å; F257-V286 PolarHBondContact N-O 2.94Å; F257-V286 PolarHBondContact O-N 3.39Å; F257-Q288 HydrophobicContact CD2-CB 4.45Å; F257-Q288 HydrophobicContact CE2-CB 3.73Å
258S97.5Very high83.2Confident33 Ų3347.6 Ų47.623%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-98.6123.4164.2179.10000108K242 R284K242-S258 PolarHBondContact N-O 3.3Å; K242-S258 PolarHBondContact O-N 3.42Å; S258-R284 CarbonylContact C-O 3.58Å; S258-R284 WeakPolarHBondContact CA-O 3.24Å
259I97.1Very high81.5Confident0 Ų049.4 Ų49.40%026%0.261CS..EExtended strand (participates in β ladder)trans-116.9147.3-179.969172.1000111.4W181 I184 W185 I239 E240 V241 F257 S283 R284 V286W181-I259 HydrophobicContact CE3-CG2 4.27Å; W181-I259 HydrophobicContact CH2-CG2 4.45Å; W181-I259 HydrophobicContact CZ3-CG2 3.74Å; I184-I259 HydrophobicContact CG2-CD1 3.91Å; W185-I259 HydrophobicContact CE3-CD1 3.78Å; W185-I259 HydrophobicContact CE3-CG1 3.96Å; W185-I259 HydrophobicContact CZ3-CD1 4.33Å; W185-I259 HydrophobicContact CZ3-CG1 4.02Å; I239-I259 HydrophobicContact CG2-CB 4.19Å; E240-I259 VanDerWaalsContact O-CA 3.24Å; E240-I259 WeakPolarHBondContact O-CA 3.29Å; V241-I259 HydrophobicContact CB-CG2 4.27Å; V241-I259 HydrophobicContact CG1-CG2 4.04Å; V241-I259 HydrophobicContact CG2-CG2 3.91Å; F257-I259 HydrophobicContact CB-CG2 4.37Å; I259-S283 CarbonylContact O-C 3.59Å; I259-S283 WeakPolarHBondContact O-CA 3.38Å; I259-R284 HydrophobicContact CD1-CB 4.4Å; I259-R284 HydrophobicContact CG1-CB 3.82Å; I259-R284 PolarHBondContact N-O 3.02Å; I259-R284 PolarHBondContact O-N 3.02Å; I259-V286 HydrophobicContact CD1-CG2 3.54Å; I259-V286 HydrophobicContact CG1-CG2 3.98Å; I259-V286 HydrophobicContact CG2-CG2 4.35Å
260R94.9Very high79.6Confident66 Ų6654.5 Ų54.525%0.24929%0.29CS..EExtended strand (participates in β ladder)trans-145.7144.6175.163.9-175.2-169.494.31.4110.9I239 E240 L262I239-R260 WeakPolarHBondContact CA-O 3.28Å; E240-R260 HydrophobicContact CB-CG 3.82Å; E240-R260 PolarHBondContact N-O 2.84Å; E240-R260 PolarHBondContact O-N 2.98Å; E240-R260 IonicContact OE1-CZ 3.04Å; E240-R260 IonicContact OE1-NE 3.61Å; E240-R260 PolarHBondContact OE1-NE 2.75Å; E240-R260 IonicContact OE1-NH2 2.71Å; E240-R260 PolarHBondContact OE1-NH2 3.02Å; E240-R260 IonicContact OE2-CZ 2.8Å; E240-R260 IonicContact OE2-NE 2.75Å; E240-R260 IonicContact OE2-NH2 2.99Å; E240-R260 PolarHBondContact OE2-NH2 3.24Å; R260-L262 VanDerWaalsContact CZ-CD2 3.41Å
261C91.1Very high78Confident17 Ų1756.8 Ų56.812%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-88124172.7-179.50000110.6W185 I239 A263 D264W185-C261 HydrophobicContact CD2-CB 4.01Å; W185-C261 HydrophobicContact CE3-CB 4.46Å; W185-C261 HydrophobicContact CH2-CB 3.87Å; W185-C261 HydrophobicContact CZ2-CB 3.31Å; W185-C261 HydrophobicContact CZ3-CB 4.41Å; I239-C261 HydrophobicContact CD1-CB 3.86Å; C261-A263 VanDerWaalsContact C-N 3.29Å; C261-A263 PolarHBondContact O-N 3.01Å; C261-D264 VanDerWaalsContact CB-OD2 3.29Å; C261-D264 WeakPolarHBondContact CB-OD2 3.4Å; C261-D264 PolarHBondContact O-N 2.99Å
262L87.6Confident76.6Confident52 Ų5265.2 Ų65.227%0.27234%0.342SS..G310 helixtrans-72.7-21.8179.5-60.4-178.3000112.9T235 K238 E240 R260 D264 Q265T235-L262 HydrophobicContact CG2-CD1 3.68Å; K238-L262 WeakPolarHBondContact O-CB 3.03Å; K238-L262 WeakPolarHBondContact O-CG 3.42Å; K238-L262 PolarHBondContact O-N 2.92Å; E240-L262 HydrophobicContact CB-CD2 4.12Å; E240-L262 HydrophobicContact CB-CG 4.42Å; R260-L262 VanDerWaalsContact CZ-CD2 3.41Å; L262-D264 PolarHBondContact O-N 2.91Å; L262-Q265 PolarHBondContact O-N 3.47Å
263A76.2Confident74.7Confident62 Ų6270 Ų7051%0.51237%0.368SS..G310 helixtrans-74.2-17.1177.400000113.2K238 C261 Q265K238-A263 HydrophobicContact CD-CB 4.12Å; C261-A263 VanDerWaalsContact C-N 3.29Å; C261-A263 PolarHBondContact O-N 3.01Å; A263-Q265 VanDerWaalsContact C-N 3.3Å
264D65.5Low72.8Confident77 Ų7777.4 Ų77.441%0.41240%0.402SS..G310 helixtrans-87.2-1.7177.9-59.8-27.7000112C261 L262C261-D264 VanDerWaalsContact CB-OD2 3.29Å; C261-D264 WeakPolarHBondContact CB-OD2 3.4Å; C261-D264 PolarHBondContact O-N 2.99Å; L262-D264 PolarHBondContact O-N 2.91Å
265Q56.3Low70.5Confident94 Ų9483.7 Ų83.744%0.43943%0.431SS..SBendtrans-67.7127.8176.1-69.9-164.5-34.300110.7L262 A263 D267L262-Q265 PolarHBondContact O-N 3.47Å; A263-Q265 VanDerWaalsContact C-N 3.3Å; Q265-D267 PolarHBondContact O-N 3.2Å
266P50.6Low68.2Low46 Ų4687.8 Ų87.830%0.29946%0.455SS..PPolyproline II helixtrans-61.1139172.224.4-31000109.8K268 A277P266-K268 PolarHBondContact O-N 2.99Å; P266-A277 HydrophobicContact CG-CB 4.23Å
267D53.9Low66Low114 Ų11488.3 Ų88.361%0.6146%0.46SS*.PPolyproline II helixtrans-55.6121.8175.9-153.6-13.1000108.7Q265 N269 N270Q265-D267 PolarHBondContact O-N 3.2Å; D267-N269 PolarHBondContact O-N 3.17Å; D267-N270 PolarHBondContact O-N 3.35Å; D267-N270 VanDerWaalsContact O-N 3.09Å
268K52.8Low63.6Low188 Ų18894.8 Ų94.882%0.81749%0.494SS*.THydrogen-bonded Turntrans-58.3-15.5-175.2-76.9-174176.3-177.90113P266P266-K268 PolarHBondContact O-N 2.99Å
269N52.3Low61.2Low143 Ų14399.8 Ų99.877%0.76552%0.517SS*.THydrogen-bonded Turntrans-88.7-10.2-178-68.2-13.9000114.8D267D267-N269 PolarHBondContact O-N 3.17Å
270N49Very low59Low144 Ų144106.1 Ų106.177%0.7755%0.545SS*.  trans-128.643.9-175.8-88.8-10.9000113.1D267D267-N270 PolarHBondContact O-N 3.35Å; D267-N270 VanDerWaalsContact O-N 3.09Å
271V50Low57.3Low69 Ų69106.9 Ų106.942%0.41856%0.557SS.*  trans-100.789.9174.1-171.20000109.3A277V271-A277 HydrophobicContact CG1-CB 4.01Å
272E56.4Low56.8Low188 Ų188110.8 Ų110.888%0.87957%0.574SS**SBendtrans-83.6-14.5168.3-73.8-171.2162.700112.6
273N53.1Low56.9Low104 Ų104112 Ų11256%0.55659%0.586SS**  trans-138.4118.6178.5-70.4-43.8000112.4Q275 D276N273-Q275 PolarHBondContact O-N 3.43Å; N273-D276 PolarHBondContact O-N 2.82Å
274E54.4Low57.9Low163 Ų163110.6 Ų110.676%0.76257%0.568SS**Hα-helixtrans-58.8-26.6178.5-66.9-175.5151.300113.4L278E274-L278 PolarHBondContact O-N 3.39Å
275Q49.1Very low59.3Low153 Ų153110.7 Ų110.772%0.71557%0.571SS**Hα-helixtrans-66.1-39.9178.2-119.585.524.300113.1N273 A277 L278 L279N273-Q275 PolarHBondContact O-N 3.43Å; Q275-A277 VanDerWaalsContact C-N 3.34Å; Q275-L278 PolarHBondContact O-N 2.81Å; Q275-L279 WeakPolarHBondContact O-CD1 3.4Å; Q275-L279 PolarHBondContact O-N 3.1Å
276D49Very low61.3Low107 Ų107106.2 Ų106.257%0.57255%0.551SS**Hα-helixtrans-74.8-25.5-178.9-82.1-31.2000112.5N273N273-D276 PolarHBondContact O-N 2.82Å
277A50Low63.6Low30 Ų30106 Ų10625%0.24855%0.546CS..Hα-helixtrans-73.5-33.9174.900000112.4P266 V271 Q275P266-A277 HydrophobicContact CG-CB 4.23Å; V271-A277 HydrophobicContact CG1-CB 4.01Å; Q275-A277 VanDerWaalsContact C-N 3.34Å
278L49.1Very low65.7Low141 Ų141100.6 Ų100.674%0.73852%0.518SS*.Hα-helixtrans-74.7-29.4178.6-121.7111.6000113E274 Q275 T281E274-L278 PolarHBondContact O-N 3.39Å; Q275-L278 PolarHBondContact O-N 2.81Å; L278-T281 PolarHBondContact O-OG1 3.1Å
279L47.6Very low67.9Low137 Ų13792 Ų9272%0.71748%0.48SS*.Hα-helixtrans-76.1-19.4-179.4-86.9153.1000114Q275Q275-L279 WeakPolarHBondContact O-CD1 3.4Å; Q275-L279 PolarHBondContact O-N 3.1Å
280K50.8Low70Confident133 Ų13385.7 Ų85.758%0.57845%0.446SS*.SBendtrans-98.1-7.4-176.9-85.4-178.2177.4174.60116E282K280-E282 PolarHBondContact O-N 2.81Å
281T59.6Low72.2Confident83 Ų8379 Ų7951%0.50941%0.41SS..  trans-84.167170.441.30000110.9L278 S283L278-T281 PolarHBondContact O-OG1 3.1Å; T281-S283 PolarHBondContact O-N 2.96Å; T281-S283 VanDerWaalsContact O-N 3.1Å
282E79.9Confident74.1Confident98 Ų9876.7 Ų76.746%0.45840%0.396SS..  trans-67.8108.7170.9-162-162.4152.700108.5W185 K280 R284W185-E282 WeakPolarHBondContact CH2-O 3.29Å; K280-E282 PolarHBondContact O-N 2.81Å; E282-R284 IonicContact OE1-CZ 3.95Å; E282-R284 IonicContact OE1-NE 3.92Å; E282-R284 PolarHBondContact OE1-NE 3.05Å; E282-R284 IonicContact OE1-NH2 3.76Å; E282-R284 PolarHBondContact OE1-NH2 3.3Å; E282-R284 IonicContact OE2-CZ 2.79Å; E282-R284 IonicContact OE2-NE 2.75Å; E282-R284 IonicContact OE2-NH2 2.75Å; E282-R284 PolarHBondContact OE2-NH2 2.96Å; E282-R284 VanDerWaalsContact OE2-NH2 3.08Å
283S90.4Very high75.5Confident77 Ų7768.1 Ų68.154%0.53836%0.358SS..  trans-99.5139.2169.371.20000109.5I259 T281I259-S283 CarbonylContact O-C 3.59Å; I259-S283 WeakPolarHBondContact O-CA 3.38Å; T281-S283 PolarHBondContact O-N 2.96Å; T281-S283 VanDerWaalsContact O-N 3.1Å
284R95.4Very high77.1Confident33 Ų3363.1 Ų63.113%0.12533%0.332CS..EExtended strand (participates in β ladder)trans-118.9142.2-178.4-61.3171.6176.9175.99.6110.1W185 D188 R190 S258 I259 E282W185-R284 HydrophobicContact CH2-CG 4.41Å; W185-R284 HydrophobicContact CZ3-CB 4.47Å; W185-R284 HydrophobicContact CZ3-CG 4.06Å; W185-R284 PolarHBondContact O-NH1 3.29Å; D188-R284 IonicContact OD1-CZ 2.86Å; D188-R284 IonicContact OD1-NE 3.8Å; D188-R284 IonicContact OD1-NH1 3.99Å; D188-R284 PolarHBondContact OD1-NH1 3.3Å; R190-R284 VanDerWaalsContact NH2-CD 3.32Å; S258-R284 CarbonylContact C-O 3.58Å; S258-R284 WeakPolarHBondContact CA-O 3.24Å; I259-R284 HydrophobicContact CD1-CB 4.4Å; I259-R284 HydrophobicContact CG1-CB 3.82Å; I259-R284 PolarHBondContact N-O 3.02Å; I259-R284 PolarHBondContact O-N 3.02Å; E282-R284 IonicContact OE1-CZ 3.95Å; E282-R284 IonicContact OE1-NE 3.92Å; E282-R284 PolarHBondContact OE1-NE 3.05Å; E282-R284 IonicContact OE1-NH2 3.76Å; E282-R284 PolarHBondContact OE1-NH2 3.3Å; E282-R284 IonicContact OE2-CZ 2.79Å; E282-R284 IonicContact OE2-NE 2.75Å; E282-R284 IonicContact OE2-NH2 2.75Å; E282-R284 PolarHBondContact OE2-NH2 2.96Å; E282-R284 VanDerWaalsContact OE2-NH2 3.08Å
285T96.7Very high77.8Confident79 Ų7961 Ų6149%0.48532%0.318SS..EExtended strand (participates in β ladder)trans-93.7127174.4-590000109.9R190 F257R190-T285 WeakPolarHBondContact CD-O 3.27Å; F257-T285 CarbonylContact O-C 3.51Å; F257-T285 VanDerWaalsContact O-CA 3.32Å; F257-T285 WeakPolarHBondContact O-CA 3.45Å
286V98.2Very high78.3Confident1 Ų156.7 Ų56.71%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-117.7125.2175.8179.30000109.7I184 R190 V192 F257 I259I184-V286 HydrophobicContact CG2-CG1 4.38Å; I184-V286 HydrophobicContact CG2-CG2 3.92Å; R190-V286 CarbonylContact O-C 3.55Å; R190-V286 WeakPolarHBondContact O-CA 3.48Å; V192-V286 HydrophobicContact CG2-CG1 3.86Å; F257-V286 PolarHBondContact N-O 2.94Å; F257-V286 PolarHBondContact O-N 3.39Å; I259-V286 HydrophobicContact CD1-CG2 3.54Å; I259-V286 HydrophobicContact CG1-CG2 3.98Å; I259-V286 HydrophobicContact CG2-CG2 4.35Å
287L98.1Very high78.8Confident40 Ų4055.3 Ų55.321%0.20929%0.287CS..EExtended strand (participates in β ladder)trans-95.2124.7172.9-60.2177.7000109.8R190 V191 V192 R255 Y289 L316R190-L287 PolarHBondContact O-N 2.87Å; V191-L287 CarbonylContact C-O 3.59Å; V191-L287 WeakPolarHBondContact CA-O 3.3Å; V192-L287 PolarHBondContact N-O 3.16Å; R255-L287 CarbonylContact O-C 3.55Å; R255-L287 WeakPolarHBondContact O-CA 3.48Å; L287-Y289 HydrophobicContact CB-CD2 4.19Å; L287-Y289 HydrophobicContact CB-CE2 3.97Å; L287-Y289 HydrophobicContact CD1-CE2 4.24Å; L287-L316 HydrophobicContact CD1-CD1 4.22Å; L287-L316 HydrophobicContact CD1-CD2 3.83Å
288Q98.2Very high79.8Confident2 Ų259.6 Ų59.61%0.00930%0.296CS..EExtended strand (participates in β ladder)trans-102.9115.3169.5-176.3-158.553.700109.6V192 Y227 I254 R255 F257V192-Q288 HydrophobicContact CB-CG 4.5Å; V192-Q288 CarbonylContact O-C 3.56Å; V192-Q288 VanDerWaalsContact O-CA 3.3Å; V192-Q288 WeakPolarHBondContact O-CA 3.31Å; Y227-Q288 PolarHBondContact OH-NE2 2.88Å; I254-Q288 CarbonylContact C-O 3.48Å; I254-Q288 WeakPolarHBondContact CA-O 3.28Å; R255-Q288 HydrophobicContact CB-CB 4.33Å; R255-Q288 PolarHBondContact N-O 3.01Å; R255-Q288 PolarHBondContact O-N 2.8Å; F257-Q288 HydrophobicContact CD2-CB 4.45Å; F257-Q288 HydrophobicContact CE2-CB 3.73Å
289Y98.2Very high81.3Confident8 Ų853.8 Ų53.83%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-96.9104.5173.1-85.3-116.6000108.6V191 V192 V193 M194 I254 L287 F309 Q312 F313 L316V191-Y289 HydrophobicContact CG1-CD2 4.41Å; V192-Y289 PolarHBondContact O-N 2.97Å; V193-Y289 CarbonylContact C-O 3.43Å; V193-Y289 WeakPolarHBondContact CA-O 3.34Å; M194-Y289 PolarHBondContact N-O 2.87Å; I254-Y289 HydrophobicContact CD1-CD1 4.19Å; I254-Y289 HydrophobicContact CD1-CE1 3.64Å; I254-Y289 HydrophobicContact CD1-CE2 4.29Å; I254-Y289 HydrophobicContact CG1-CD1 4.14Å; I254-Y289 HydrophobicContact CG1-CD2 4.46Å; I254-Y289 HydrophobicContact CG1-CE1 4.07Å; I254-Y289 HydrophobicContact CG1-CE2 4.34Å; I254-Y289 HydrophobicContact CG1-CG 4.35Å; I254-Y289 HydrophobicContact CG2-CD2 4.22Å; I254-Y289 HydrophobicContact CG2-CE2 3.85Å; L287-Y289 HydrophobicContact CB-CD2 4.19Å; L287-Y289 HydrophobicContact CB-CE2 3.97Å; L287-Y289 HydrophobicContact CD1-CE2 4.24Å; Y289-F309 HydrophobicContact CD1-CD2 4.45Å; Y289-F309 AromaticContact CD1-CE2 3.85Å; Y289-F309 HydrophobicContact CD1-CE2 3.85Å; Y289-F309 HydrophobicContact CD1-CZ 4.34Å; Y289-F309 HydrophobicContact CG-CE2 4.29Å; Y289-Q312 HydrophobicContact CE1-CG 4.08Å; Y289-F313 HydrophobicContact CD1-CB 4.15Å; Y289-F313 HydrophobicContact CE1-CB 4.22Å; Y289-L316 HydrophobicContact CD2-CD1 4.29Å; Y289-L316 HydrophobicContact CE1-CD1 4.39Å; Y289-L316 HydrophobicContact CE2-CD1 3.52Å; Y289-L316 HydrophobicContact CE2-CG 4.44Å; Y289-L316 WeakPolarHBondContact OH-CD1 3.49Å; Y289-L316 WeakPolarHBondContact OH-CG 3.21Å
290H97.3Very high82.8Confident9 Ų947.5 Ų47.54%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-109.2104.5-176.4179.5-178.9000110.3M194 T196 Y252 V253 T292M194-H290 HydrophobicContact CB-CB 4.16Å; M194-H290 CarbonylContact O-C 3.58Å; M194-H290 VanDerWaalsContact O-CA 3.3Å; M194-H290 WeakPolarHBondContact O-CA 3.43Å; T196-H290 PolarHBondContact O-NE2 2.82Å; Y252-H290 CarbonylContact C-O 3.56Å; Y252-H290 WeakPolarHBondContact CA-O 3.11Å; Y252-H290 VanDerWaalsContact CB-O 3.28Å; Y252-H290 WeakPolarHBondContact CB-O 3.28Å; V253-H290 PolarHBondContact N-O 2.82Å; V253-H290 PolarHBondContact O-N 2.92Å; H290-T292 PolarHBondContact O-N 2.81Å
291Y95.3Very high83.7Confident4 Ų449.4 Ų49.42%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-77111.8172.4-172.7-109.5000110.5M194 D251 W294 P300 G305 F306 F309M194-Y291 PolarHBondContact O-N 3.43Å; D251-Y291 HydrophobicContact CB-CD2 4.4Å; D251-Y291 HydrophobicContact CB-CE2 3.76Å; D251-Y291 VanDerWaalsContact O-CD2 3.26Å; D251-Y291 WeakPolarHBondContact O-CD2 3.28Å; Y291-W294 HydrophobicContact CD1-CB 3.78Å; Y291-W294 HydrophobicContact CD1-CE3 4.23Å; Y291-W294 HydrophobicContact CE1-CB 3.75Å; Y291-W294 HydrophobicContact CE1-CE3 4.38Å; Y291-P300 HydrophobicContact CE1-CG 4.33Å; Y291-G305 WeakPolarHBondContact CE2-O 3.29Å; Y291-F306 HydrophobicContact CD1-CD2 4.32Å; Y291-F306 HydrophobicContact CE1-CB 4.47Å; Y291-F306 HydrophobicContact CE1-CD2 4.05Å; Y291-F306 HydrophobicContact CE2-CB 4.32Å; Y291-F306 PolarHBondContact OH-N 2.65Å; Y291-F309 HydrophobicContact CD2-CB 3.68Å; Y291-F309 AromaticContact CD2-CD1 3.97Å; Y291-F309 HydrophobicContact CD2-CD1 3.97Å; Y291-F309 HydrophobicContact CD2-CD2 4.2Å; Y291-F309 AromaticContact CD2-CG 3.69Å; Y291-F309 HydrophobicContact CD2-CG 3.69Å; Y291-F309 HydrophobicContact CE2-CB 4.08Å; Y291-F309 HydrophobicContact CG-CD1 4.2Å; Y291-F309 HydrophobicContact CG-CE1 4.5Å; Y291-F309 HydrophobicContact CG-CG 4.32Å
292T89.9Confident84.6Confident20 Ų2046.5 Ų46.512%0.12323%0.233CC..  trans-97-15-176.256.10000112.7N197 D251 Y252 V253 H290 W294 Y295N197-T292 PolarHBondContact ND2-O 2.96Å; N197-T292 WeakPolarHBondContact OD1-CA 3.43Å; D251-T292 PolarHBondContact O-N 3.26Å; D251-T292 PolarHBondContact O-OG1 3.17Å; D251-T292 VanDerWaalsContact O-OG1 3.1Å; Y252-T292 PolarHBondContact N-OG1 3Å; V253-T292 HydrophobicContact CG2-CG2 4.08Å; H290-T292 PolarHBondContact O-N 2.81Å; T292-W294 PolarHBondContact O-N 2.85Å; T292-Y295 VanDerWaalsContact O-CE2 3.24Å; T292-Y295 WeakPolarHBondContact O-CE2 3.35Å; T292-Y295 PolarHBondContact O-OH 3.38Å
293G85.2Confident84.9Confident8 Ų841.8 Ų41.88%0.08221%0.211CC..  trans-71.9-0.1-179.400000116D251 Y295D251-G293 PolarHBondContact O-N 2.91Å; G293-Y295 PolarHBondContact O-N 3.15Å
294W86Confident84.5Confident0 Ų038.9 Ų38.90%019%0.189CC..  trans-97.683.9179-156.5-31.8000111V195 Y291 T292 P300 F306 R334 T337 Q376V195-W294 HydrophobicContact CB-CE3 4.26Å; V195-W294 HydrophobicContact CB-CZ3 4.5Å; Y291-W294 HydrophobicContact CD1-CB 3.78Å; Y291-W294 HydrophobicContact CD1-CE3 4.23Å; Y291-W294 HydrophobicContact CE1-CB 3.75Å; Y291-W294 HydrophobicContact CE1-CE3 4.38Å; T292-W294 PolarHBondContact O-N 2.85Å; W294-P300 HydrophobicContact CD2-CG 3.61Å; W294-P300 VanDerWaalsContact CE2-CD 3.44Å; W294-P300 HydrophobicContact CE3-CG 3.8Å; W294-P300 HydrophobicContact CG-CG 4.02Å; W294-P300 HydrophobicContact CH2-CG 4.31Å; W294-P300 HydrophobicContact CZ2-CG 4.18Å; W294-P300 HydrophobicContact CZ3-CG 4.14Å; W294-F306 HydrophobicContact CE3-CE2 4.42Å; W294-F306 HydrophobicContact CZ3-CD2 4.42Å; W294-F306 AromaticContact CZ3-CE2 3.93Å; W294-F306 HydrophobicContact CZ3-CE2 3.93Å; W294-R334 HydrophobicContact CD2-CB 4.33Å; W294-R334 HydrophobicContact CD2-CG 4.01Å; W294-R334 HydrophobicContact CE3-CB 4.12Å; W294-R334 HydrophobicContact CE3-CG 4.31Å; W294-R334 HydrophobicContact CH2-CB 3.68Å; W294-R334 HydrophobicContact CH2-CG 3.92Å; W294-R334 HydrophobicContact CZ2-CB 3.88Å; W294-R334 HydrophobicContact CZ2-CG 3.56Å; W294-R334 HydrophobicContact CZ3-CB 3.79Å; W294-R334 HydrophobicContact CZ3-CG 4.27Å; W294-T337 HydrophobicContact CH2-CG2 3.7Å; W294-T337 HydrophobicContact CZ3-CG2 4.49Å; W294-Q376 HydrophobicContact CZ2-CG 4.26Å
295Y69.2Low84.1Confident119 Ų11937.8 Ų37.847%0.46719%0.188SC..  trans-93.2135.4171.8-55.5-84.3000108.4N197 T292 G293N197-Y295 WeakPolarHBondContact ND2-CE1 3.45Å; T292-Y295 VanDerWaalsContact O-CE2 3.24Å; T292-Y295 WeakPolarHBondContact O-CE2 3.35Å; T292-Y295 PolarHBondContact O-OH 3.38Å; G293-Y295 PolarHBondContact O-N 3.15Å
296D59.8Low83.9Confident61 Ų6134 Ų3433%0.32617%0.165SC..SBendtrans89153.4178.6-153.94.3000116.5R298 R334D296-R298 PolarHBondContact O-N 3.21Å; D296-R334 PolarHBondContact O-NH2 3.24Å
297Y60.9Low83.6Confident79 Ų7934.2 Ų34.231%0.3117%0.166SC..SBendtrans-72.9-2.2-176.3-81.1-86.9000114.6Y202 Q221 M223 Q376Y202-Y297 HydrophobicContact CD2-CD2 4.24Å; Y202-Y297 AromaticContact CD2-CE2 3.59Å; Y202-Y297 HydrophobicContact CD2-CE2 3.59Å; Y202-Y297 HydrophobicContact CE2-CD2 4.25Å; Y202-Y297 AromaticContact CE2-CE2 3.8Å; Y202-Y297 HydrophobicContact CE2-CE2 3.8Å; Q221-Y297 PolarHBondContact NE2-OH 3.33Å; Q221-Y297 PolarHBondContact OE1-OH 3.34Å; M223-Y297 HydrophobicContact CE-CE1 3.58Å; M223-Y297 HydrophobicContact CE-CE2 4.16Å; M223-Y297 WeakPolarHBondContact CE-OH 3.47Å; M223-Y297 HydrophobicContact SD-CE2 4.49Å; M223-Y297 PolarHBondContact SD-OH 3.38Å; Y297-Q376 PolarHBondContact O-NE2 3.02Å
298R70.5Confident83.2Confident120 Ų12033.9 Ų33.945%0.45316%0.162SC..SBendtrans-87.8-106.9-178.7-59.1-176-175-150.22.5109.7D296 D375 Q376D296-R298 PolarHBondContact O-N 3.21Å; R298-D375 HydrophobicContact CB-CB 3.82Å; R298-D375 WeakPolarHBondContact CB-OD2 3.38Å; R298-D375 WeakPolarHBondContact CD-OD2 3.32Å; R298-D375 WeakPolarHBondContact CG-OD2 3.39Å; R298-Q376 WeakPolarHBondContact O-CG 3.05Å; R298-Q376 PolarHBondContact O-NE2 3.4Å; R298-Q376 VanDerWaalsContact O-NE2 3.16Å
299A80.9Confident82.9Confident18 Ų1833.8 Ų33.815%0.14916%0.161CC..  trans-138.9169.4177.500000110.1D375 F379A299-D375 HydrophobicContact CB-CB 4.35Å; A299-D375 WeakPolarHBondContact CB-O 3.34Å; A299-F379 HydrophobicContact CB-CB 3.56Å; A299-F379 HydrophobicContact CB-CD2 4.1Å; A299-F379 HydrophobicContact CB-CG 3.87Å
300P78.8Confident82.7Confident6 Ų633.4 Ų33.44%0.03916%0.16CC..  trans-57.2140.2171.5-2134.7000110.7Y291 W294 G302 F306 F379Y291-P300 HydrophobicContact CE1-CG 4.33Å; W294-P300 HydrophobicContact CD2-CG 3.61Å; W294-P300 VanDerWaalsContact CE2-CD 3.44Å; W294-P300 HydrophobicContact CE3-CG 3.8Å; W294-P300 HydrophobicContact CG-CG 4.02Å; W294-P300 HydrophobicContact CH2-CG 4.31Å; W294-P300 HydrophobicContact CZ2-CG 4.18Å; W294-P300 HydrophobicContact CZ3-CG 4.14Å; P300-G302 PolarHBondContact O-N 3.29Å; P300-F306 HydrophobicContact CG-CD2 4.35Å; P300-F379 HydrophobicContact CB-CE2 3.79Å; P300-F379 HydrophobicContact CB-CZ 3.78Å; P300-F379 HydrophobicContact CG-CD1 4.42Å; P300-F379 HydrophobicContact CG-CE1 3.81Å; P300-F379 HydrophobicContact CG-CE2 3.91Å; P300-F379 HydrophobicContact CG-CZ 3.52Å
301E69.5Low82.4Confident172 Ų17234.5 Ų34.580%0.80417%0.165SC*.SBendtrans-59.7-32.5-176.6-67.5-177.9165.500112.8
302G78.5Confident82.3Confident22 Ų2236.6 Ų36.623%0.22717%0.174CC..  trans-141.8155.6174.600000110.9P300P300-G302 PolarHBondContact O-N 3.29Å
303S85.5Confident82.5Confident0 Ų035.6 Ų35.60%017%0.168CC..Hα-helixtrans-79.9-23.7-17786.40000113.1G305 F306 L307 E386S303-G305 PolarHBondContact O-N 3.47Å; S303-F306 CarbonylContact O-C 3.57Å; S303-F306 WeakPolarHBondContact O-CA 3.49Å; S303-F306 WeakPolarHBondContact O-CB 3.4Å; S303-F306 PolarHBondContact O-N 2.74Å; S303-L307 WeakPolarHBondContact O-CG 3.39Å; S303-L307 PolarHBondContact O-N 3.36Å; S303-L307 WeakPolarHBondContact OG-CD1 3.48Å; S303-E386 WeakPolarHBondContact CB-OE2 3.21Å; S303-E386 PolarHBondContact OG-OE2 3.38Å
304F83.4Confident82.9Confident16 Ų1637.3 Ų37.37%0.0717%0.174CC..Hα-helixtrans-57.8-50.3-169.4-60.2-55.7000114.2F306 L307 R308 F390 K679 K682 T683F304-F306 PolarHBondContact O-N 2.76Å; F304-L307 PolarHBondContact O-N 2.58Å; F304-R308 VanDerWaalsContact O-CB 3.32Å; F304-R308 WeakPolarHBondContact O-CB 3.28Å; F304-R308 PolarHBondContact O-N 2.97Å; F304-F390 HydrophobicContact CE1-CD2 4.23Å; F304-K679 HydrophobicContact CB-CD 4.27Å; F304-K679 HydrophobicContact CD1-CB 4.36Å; F304-K679 HydrophobicContact CD1-CD 3.47Å; F304-K679 VanDerWaalsContact CD1-CD 3.47Å; F304-K679 HydrophobicContact CD1-CG 3.74Å; F304-K679 HydrophobicContact CE1-CD 4.15Å; F304-K679 HydrophobicContact CE1-CG 4.04Å; F304-K679 HydrophobicContact CG-CB 4.44Å; F304-K679 HydrophobicContact CG-CD 4.12Å; F304-K679 HydrophobicContact CG-CG 4.3Å; F304-K682 HydrophobicContact CE2-CD 4.14Å; F304-K682 HydrophobicContact CE2-CG 4.1Å; F304-K682 HydrophobicContact CZ-CD 3.63Å; F304-K682 HydrophobicContact CZ-CG 4.11Å; F304-T683 WeakPolarHBondContact CD2-OG1 3.46Å
305G86.1Confident83.1Confident10 Ų1042.5 Ų42.510%0.10320%0.196CC..Hα-helixtrans-61.2-37.2178.100000111.9D251 Y291 S303 F309D251-G305 VanDerWaalsContact OD2-CA 3.32Å; D251-G305 WeakPolarHBondContact OD2-CA 3.29Å; Y291-G305 WeakPolarHBondContact CE2-O 3.29Å; S303-G305 PolarHBondContact O-N 3.47Å; G305-F309 WeakPolarHBondContact O-CB 3.43Å; G305-F309 PolarHBondContact O-N 3.4Å
306F92.1Very high84.3Confident0 Ų038.2 Ų38.20%018%0.181CC..Hα-helixtrans-71.4-46.5178.8-179.2-93.4000112.4Y291 W294 P300 S303 F304 R308 F309 M310 F338 V341 F379Y291-F306 HydrophobicContact CD1-CD2 4.32Å; Y291-F306 HydrophobicContact CE1-CB 4.47Å; Y291-F306 HydrophobicContact CE1-CD2 4.05Å; Y291-F306 HydrophobicContact CE2-CB 4.32Å; Y291-F306 PolarHBondContact OH-N 2.65Å; W294-F306 HydrophobicContact CE3-CE2 4.42Å; W294-F306 HydrophobicContact CZ3-CD2 4.42Å; W294-F306 AromaticContact CZ3-CE2 3.93Å; W294-F306 HydrophobicContact CZ3-CE2 3.93Å; P300-F306 HydrophobicContact CG-CD2 4.35Å; S303-F306 CarbonylContact O-C 3.57Å; S303-F306 WeakPolarHBondContact O-CA 3.49Å; S303-F306 WeakPolarHBondContact O-CB 3.4Å; S303-F306 PolarHBondContact O-N 2.74Å; F304-F306 PolarHBondContact O-N 2.76Å; F306-R308 VanDerWaalsContact C-N 3.31Å; F306-R308 PolarHBondContact O-N 2.81Å; F306-F309 WeakPolarHBondContact O-CB 3.26Å; F306-F309 PolarHBondContact O-N 3.31Å; F306-M310 HydrophobicContact CE1-CE 3.55Å; F306-M310 HydrophobicContact CZ-CE 3.55Å; F306-M310 WeakPolarHBondContact O-CB 3.46Å; F306-M310 PolarHBondContact O-N 2.96Å; F306-F338 HydrophobicContact CE2-CD2 4.09Å; F306-F338 HydrophobicContact CZ-CB 4.38Å; F306-F338 HydrophobicContact CZ-CD2 4.01Å; F306-V341 HydrophobicContact CE1-CB 3.93Å; F306-V341 HydrophobicContact CE1-CG1 3.91Å; F306-V341 HydrophobicContact CE1-CG2 4.04Å; F306-V341 HydrophobicContact CZ-CB 4.47Å; F306-F379 HydrophobicContact CB-CZ 3.97Å; F306-F379 AromaticContact CD1-CE1 3.77Å; F306-F379 HydrophobicContact CD1-CE1 3.77Å; F306-F379 AromaticContact CD1-CZ 3.96Å; F306-F379 HydrophobicContact CD1-CZ 3.96Å; F306-F379 HydrophobicContact CD2-CE1 4.45Å; F306-F379 HydrophobicContact CE1-CE1 4.04Å; F306-F379 AromaticContact CG-CE1 3.99Å; F306-F379 HydrophobicContact CG-CE1 3.99Å; F306-F379 AromaticContact CG-CZ 3.94Å; F306-F379 HydrophobicContact CG-CZ 3.94Å; F306-F379 HydrophobicContact CZ-CE1 4.48Å
307L92.2Very high85.8Confident4 Ų442.7 Ų42.72%0.02120%0.2CC..Hα-helixtrans-62.7-38175.8-70.6177.3000111.5S303 F304 M310 K311 V341 A383 E386 W387S303-L307 WeakPolarHBondContact O-CG 3.39Å; S303-L307 PolarHBondContact O-N 3.36Å; S303-L307 WeakPolarHBondContact OG-CD1 3.48Å; F304-L307 PolarHBondContact O-N 2.58Å; L307-M310 WeakPolarHBondContact O-CB 3.38Å; L307-M310 PolarHBondContact O-N 3.34Å; L307-K311 WeakPolarHBondContact O-CB 3.48Å; L307-K311 PolarHBondContact O-N 2.86Å; L307-V341 HydrophobicContact CD2-CG1 4.39Å; L307-A383 HydrophobicContact CD2-CB 4.19Å; L307-E386 HydrophobicContact CD1-CB 4.38Å; L307-W387 HydrophobicContact CD1-CB 4.09Å; L307-W387 HydrophobicContact CD2-CB 4.1Å
308R89Confident87.2Confident34 Ų3442.4 Ų42.413%0.12820%0.203CC..Hα-helixtrans-63.3-45.4173.2179.7174.259162-4.4112.1D251 Y252 F304 F306 M310 K311 Q312 E672D251-R308 IonicContact OD2-CZ 3.36Å; D251-R308 IonicContact OD2-NH2 3.65Å; D251-R308 PolarHBondContact OD2-NH2 3.25Å; Y252-R308 HydrophobicContact CE1-CG 4.4Å; F304-R308 VanDerWaalsContact O-CB 3.32Å; F304-R308 WeakPolarHBondContact O-CB 3.28Å; F304-R308 PolarHBondContact O-N 2.97Å; F306-R308 VanDerWaalsContact C-N 3.31Å; F306-R308 PolarHBondContact O-N 2.81Å; R308-M310 VanDerWaalsContact C-N 3.33Å; R308-M310 PolarHBondContact O-N 3.11Å; R308-K311 WeakPolarHBondContact O-CB 3.43Å; R308-K311 PolarHBondContact O-N 2.92Å; R308-Q312 PolarHBondContact O-N 3.35Å; R308-E672 IonicContact CZ-OE1 3.44Å; R308-E672 IonicContact NH1-OE1 2.95Å; R308-E672 PolarHBondContact NH1-OE1 3.2Å; R308-E672 IonicContact NH1-OE2 3.18Å; R308-E672 PolarHBondContact NH1-OE2 3.22Å
309F93.6Very high88.2Confident0 Ų036.8 Ų36.80%018%0.182CC..Hα-helixtrans-59-45.2173.6172.8-105.7000111.5V193 V195 Y252 Y289 Y291 G305 F306 K311 Q312 F313 F338V193-F309 HydrophobicContact CG1-CE1 3.86Å; V193-F309 HydrophobicContact CG1-CZ 3.89Å; V195-F309 HydrophobicContact CG1-CE1 4.49Å; Y252-F309 VanDerWaalsContact CB-CD2 3.46Å; Y252-F309 HydrophobicContact CD1-CB 3.93Å; Y252-F309 AromaticContact CD1-CD2 3.91Å; Y252-F309 HydrophobicContact CD1-CD2 3.91Å; Y252-F309 HydrophobicContact CD1-CG 4.41Å; Y252-F309 AromaticContact CD2-CD2 3.82Å; Y252-F309 HydrophobicContact CD2-CD2 3.82Å; Y252-F309 HydrophobicContact CD2-CE2 4.34Å; Y252-F309 HydrophobicContact CE1-CB 4.36Å; Y252-F309 HydrophobicContact CG-CB 4.38Å; Y252-F309 AromaticContact CG-CD2 3.48Å; Y252-F309 HydrophobicContact CG-CD2 3.48Å; Y252-F309 VanDerWaalsContact CG-CD2 3.48Å; Y252-F309 HydrophobicContact CG-CE2 4.2Å; Y252-F309 HydrophobicContact CG-CG 4.37Å; Y289-F309 HydrophobicContact CD1-CD2 4.45Å; Y289-F309 AromaticContact CD1-CE2 3.85Å; Y289-F309 HydrophobicContact CD1-CE2 3.85Å; Y289-F309 HydrophobicContact CD1-CZ 4.34Å; Y289-F309 HydrophobicContact CG-CE2 4.29Å; Y291-F309 HydrophobicContact CD2-CB 3.68Å; Y291-F309 AromaticContact CD2-CD1 3.97Å; Y291-F309 HydrophobicContact CD2-CD1 3.97Å; Y291-F309 HydrophobicContact CD2-CD2 4.2Å; Y291-F309 AromaticContact CD2-CG 3.69Å; Y291-F309 HydrophobicContact CD2-CG 3.69Å; Y291-F309 HydrophobicContact CE2-CB 4.08Å; Y291-F309 HydrophobicContact CG-CD1 4.2Å; Y291-F309 HydrophobicContact CG-CE1 4.5Å; Y291-F309 HydrophobicContact CG-CG 4.32Å; G305-F309 WeakPolarHBondContact O-CB 3.43Å; G305-F309 PolarHBondContact O-N 3.4Å; F306-F309 WeakPolarHBondContact O-CB 3.26Å; F306-F309 PolarHBondContact O-N 3.31Å; F309-K311 PolarHBondContact O-N 2.83Å; F309-Q312 PolarHBondContact O-N 2.97Å; F309-F313 PolarHBondContact O-N 3.23Å; F309-F338 HydrophobicContact CD1-CE2 4.12Å; F309-F338 HydrophobicContact CE1-CD2 4.22Å; F309-F338 AromaticContact CE1-CE2 3.69Å; F309-F338 HydrophobicContact CE1-CE2 3.69Å
310M94Very high88.6Confident0 Ų044 Ų440%021%0.205CC..Hα-helixtrans-59.5-44.3176.3-166.870.777.500111.8F306 L307 R308 Q312 F313 K314 F338 V341 D342 M345F306-M310 HydrophobicContact CE1-CE 3.55Å; F306-M310 HydrophobicContact CZ-CE 3.55Å; F306-M310 WeakPolarHBondContact O-CB 3.46Å; F306-M310 PolarHBondContact O-N 2.96Å; L307-M310 WeakPolarHBondContact O-CB 3.38Å; L307-M310 PolarHBondContact O-N 3.34Å; R308-M310 VanDerWaalsContact C-N 3.33Å; R308-M310 PolarHBondContact O-N 3.11Å; M310-Q312 PolarHBondContact O-N 3.34Å; M310-F313 WeakPolarHBondContact O-CB 3.39Å; M310-F313 PolarHBondContact O-N 2.98Å; M310-F313 HydrophobicContact SD-CD1 4.18Å; M310-K314 PolarHBondContact O-N 2.79Å; M310-F338 HydrophobicContact CE-CD2 3.6Å; M310-F338 HydrophobicContact CE-CE2 3.65Å; M310-F338 HydrophobicContact CE-CG 4.27Å; M310-F338 HydrophobicContact CE-CZ 4.35Å; M310-F338 WeakPolarHBondContact CE-O 3.29Å; M310-F338 HydrophobicContact SD-CD2 4.08Å; M310-F338 HydrophobicContact SD-CE2 3.47Å; M310-F338 WeakPolarHBondContact SD-CE2 3.45Å; M310-F338 HydrophobicContact SD-CZ 3.78Å; M310-V341 HydrophobicContact CE-CB 3.88Å; M310-V341 HydrophobicContact CE-CG1 3.95Å; M310-D342 HydrophobicContact CE-CB 4.15Å; M310-D342 HydrophobicContact SD-CB 3.68Å; M310-M345 HydrophobicContact CG-SD 3.81Å
311K91.1Very high89.2Confident32 Ų3250.4 Ų50.414%0.13924%0.239CC..Hα-helixtrans-58.2-48.4175-179.2-172176.6-172.80111.1L307 R308 F309 F313 K314 K315 D392 D394L307-K311 WeakPolarHBondContact O-CB 3.48Å; L307-K311 PolarHBondContact O-N 2.86Å; R308-K311 WeakPolarHBondContact O-CB 3.43Å; R308-K311 PolarHBondContact O-N 2.92Å; F309-K311 PolarHBondContact O-N 2.83Å; K311-F313 VanDerWaalsContact C-N 3.26Å; K311-F313 PolarHBondContact O-N 2.86Å; K311-K314 PolarHBondContact O-N 3.35Å; K311-K315 PolarHBondContact O-N 3.46Å; K311-D392 WeakPolarHBondContact CE-OD1 3.44Å; K311-D392 WeakPolarHBondContact CE-OD2 3.38Å; K311-D392 IonicContact NZ-OD1 3.96Å; K311-D392 PolarHBondContact NZ-OD1 3.4Å; K311-D392 IonicContact NZ-OD2 3.54Å; K311-D392 PolarHBondContact NZ-OD2 3.31Å; K311-D394 IonicContact NZ-OD2 3.53Å
312Q91.4Very high90.4Very high47 Ų4743.5 Ų43.522%0.2221%0.208CC..Hα-helixtrans-64.6-32.5179.1-172.158.92700112.2Y252 I254 Y289 R308 F309 M310Y252-Q312 HydrophobicContact CE2-CG 4.36Å; I254-Q312 HydrophobicContact CD1-CG 3.87Å; Y289-Q312 HydrophobicContact CE1-CG 4.08Å; R308-Q312 PolarHBondContact O-N 3.35Å; F309-Q312 PolarHBondContact O-N 2.97Å; M310-Q312 PolarHBondContact O-N 3.34Å
313F94.7Very high91.3Very high0 Ų043.5 Ų43.50%020%0.204CC..Hα-helixtrans-69.1-47.3171.7164-105.1000112.2K164 F166 V191 V193 Y289 F309 M310 K311 K315 L316 A319 V324 F338 D342K164-F313 HydrophobicContact CD-CZ 4.29Å; F166-F313 HydrophobicContact CE1-CZ 4.44Å; V191-F313 HydrophobicContact CG1-CD2 4.19Å; V191-F313 HydrophobicContact CG1-CE2 3.93Å; V193-F313 HydrophobicContact CG2-CD2 3.95Å; V193-F313 HydrophobicContact CG2-CE2 3.84Å; V193-F313 HydrophobicContact CG2-CZ 4.5Å; Y289-F313 HydrophobicContact CD1-CB 4.15Å; Y289-F313 HydrophobicContact CE1-CB 4.22Å; F309-F313 PolarHBondContact O-N 3.23Å; M310-F313 WeakPolarHBondContact O-CB 3.39Å; M310-F313 PolarHBondContact O-N 2.98Å; M310-F313 HydrophobicContact SD-CD1 4.18Å; K311-F313 VanDerWaalsContact C-N 3.26Å; K311-F313 PolarHBondContact O-N 2.86Å; F313-K315 PolarHBondContact O-N 3.05Å; F313-K315 VanDerWaalsContact O-N 3.13Å; F313-L316 HydrophobicContact CD2-CD1 4.42Å; F313-L316 VanDerWaalsContact O-CB 3.29Å; F313-L316 WeakPolarHBondContact O-CB 3.47Å; F313-L316 WeakPolarHBondContact O-CG 3.42Å; F313-L316 PolarHBondContact O-N 3.48Å; F313-A319 HydrophobicContact CE2-CB 3.97Å; F313-A319 HydrophobicContact CZ-CB 4.13Å; F313-V324 HydrophobicContact CE2-CG1 3.78Å; F313-V324 HydrophobicContact CE2-CG2 4.25Å; F313-V324 HydrophobicContact CZ-CG1 3.91Å; F313-V324 HydrophobicContact CZ-CG2 4.14Å; F313-F338 AromaticContact CD1-CZ 3.7Å; F313-F338 HydrophobicContact CD1-CZ 3.7Å; F313-F338 HydrophobicContact CE1-CE1 4.18Å; F313-F338 AromaticContact CE1-CZ 3.8Å; F313-F338 HydrophobicContact CE1-CZ 3.8Å; F313-F338 HydrophobicContact CG-CZ 4.08Å; F313-F338 HydrophobicContact CZ-CE1 4.44Å; F313-F338 HydrophobicContact CZ-CZ 4.29Å; F313-D342 WeakPolarHBondContact CE1-OD1 3.43Å
314K93Very high91.9Very high44 Ų4443.5 Ų43.519%0.19120%0.204CC..Hα-helixtrans-63.6-17-179.1-80.4-167.7174.4-67.60114.2M310 K311 L316 D342 D346M310-K314 PolarHBondContact O-N 2.79Å; K311-K314 PolarHBondContact O-N 3.35Å; K314-L316 PolarHBondContact O-N 3.34Å; K314-D342 WeakPolarHBondContact CE-O 3.25Å; K314-D342 WeakPolarHBondContact CE-OD1 3.11Å; K314-D342 WeakPolarHBondContact CG-OD1 3.24Å; K314-D342 VanDerWaalsContact NZ-CG 3.29Å; K314-D342 PolarHBondContact NZ-O 3.34Å; K314-D342 IonicContact NZ-OD1 3.09Å; K314-D342 PolarHBondContact NZ-OD1 2.95Å; K314-D342 IonicContact NZ-OD2 2.95Å; K314-D346 IonicContact NZ-OD1 3.89Å; K314-D346 PolarHBondContact NZ-OD1 2.84Å; K314-D346 IonicContact NZ-OD2 3.07Å; K314-D346 PolarHBondContact NZ-OD2 3.08Å
315K91.8Very high92.6Very high109 Ų10942.7 Ų42.747%0.47420%0.2SC..THydrogen-bonded Turntrans-67.4-18.5170-72.7-176.3175.3-151.80113.8K311 F313 E317K311-K315 PolarHBondContact O-N 3.46Å; F313-K315 PolarHBondContact O-N 3.05Å; F313-K315 VanDerWaalsContact O-N 3.13Å; K315-E317 PolarHBondContact O-N 3.14Å; K315-E317 VanDerWaalsContact O-N 3.17Å
316L93.6Very high93.2Very high29 Ų2942.2 Ų42.215%0.15220%0.195CC..  trans-77.799.2178.9-65.5179.1000110.3V191 L287 Y289 F313 K314 I318 A319V191-L316 HydrophobicContact CG1-CD1 3.91Å; V191-L316 HydrophobicContact CG2-CD1 3.9Å; L287-L316 HydrophobicContact CD1-CD1 4.22Å; L287-L316 HydrophobicContact CD1-CD2 3.83Å; Y289-L316 HydrophobicContact CD2-CD1 4.29Å; Y289-L316 HydrophobicContact CE1-CD1 4.39Å; Y289-L316 HydrophobicContact CE2-CD1 3.52Å; Y289-L316 HydrophobicContact CE2-CG 4.44Å; Y289-L316 WeakPolarHBondContact OH-CD1 3.49Å; Y289-L316 WeakPolarHBondContact OH-CG 3.21Å; F313-L316 HydrophobicContact CD2-CD1 4.42Å; F313-L316 VanDerWaalsContact O-CB 3.29Å; F313-L316 WeakPolarHBondContact O-CB 3.47Å; F313-L316 WeakPolarHBondContact O-CG 3.42Å; F313-L316 PolarHBondContact O-N 3.48Å; K314-L316 PolarHBondContact O-N 3.34Å; L316-I318 HydrophobicContact CB-CG2 4.2Å; L316-I318 PolarHBondContact O-N 3.16Å; L316-A319 HydrophobicContact CB-CB 4.02Å; L316-A319 VanDerWaalsContact O-CB 3.28Å; L316-A319 WeakPolarHBondContact O-CB 3.26Å; L316-A319 PolarHBondContact O-N 3.26Å
317E90.9Very high93.5Very high154 Ų15442.2 Ų42.272%0.7220%0.195SC*.THydrogen-bonded Turntrans-56.5-39.5174.9-65.2-178.3171.800111.7K315 A319 R320K315-E317 PolarHBondContact O-N 3.14Å; K315-E317 VanDerWaalsContact O-N 3.17Å; E317-A319 PolarHBondContact O-N 3.16Å; E317-R320 WeakPolarHBondContact O-CB 3.16Å; E317-R320 PolarHBondContact O-N 3.22Å
318I91.3Very high93.7Very high74 Ų7442.2 Ų42.238%0.37920%0.196SC..Hα-helixtrans-55-29.2176.6-163.7167.8000112.8R190 V191 L316 R320 D321 I322R190-I318 HydrophobicContact CB-CD1 3.81Å; R190-I318 HydrophobicContact CG-CD1 3.79Å; V191-I318 HydrophobicContact CG2-CG2 3.94Å; L316-I318 HydrophobicContact CB-CG2 4.2Å; L316-I318 PolarHBondContact O-N 3.16Å; I318-R320 PolarHBondContact O-N 3Å; I318-R320 VanDerWaalsContact O-N 3.1Å; I318-D321 PolarHBondContact O-N 2.7Å; I318-I322 HydrophobicContact CD1-CD1 4.14Å; I318-I322 HydrophobicContact CG1-CD1 3.7Å; I318-I322 HydrophobicContact CG1-CG1 3.86Å; I318-I322 WeakPolarHBondContact O-CG1 3.44Å; I318-I322 PolarHBondContact O-N 3.37Å
319A90.2Very high93.9Very high1 Ų141 Ų411%0.00819%0.193CC..Hα-helixtrans-69.6-4.8179.400000113.8K164 V191 F313 L316 E317 V324K164-A319 WeakPolarHBondContact CD-O 3.5Å; K164-A319 VanDerWaalsContact CE-O 3.29Å; K164-A319 WeakPolarHBondContact CE-O 3.12Å; K164-A319 VanDerWaalsContact CG-O 3.28Å; K164-A319 WeakPolarHBondContact CG-O 3.29Å; V191-A319 HydrophobicContact CG2-CB 4.49Å; F313-A319 HydrophobicContact CE2-CB 3.97Å; F313-A319 HydrophobicContact CZ-CB 4.13Å; L316-A319 HydrophobicContact CB-CB 4.02Å; L316-A319 VanDerWaalsContact O-CB 3.28Å; L316-A319 WeakPolarHBondContact O-CB 3.26Å; L316-A319 PolarHBondContact O-N 3.26Å; E317-A319 PolarHBondContact O-N 3.16Å; A319-V324 HydrophobicContact CB-CG2 3.79Å
320R90Very high94Very high169 Ų16941.5 Ų41.564%0.63820%0.196SC*.Hα-helixtrans-91.5-33.5175-60.3-179-177.6-170.6-0.8112.5E317 I318E317-R320 WeakPolarHBondContact O-CB 3.16Å; E317-R320 PolarHBondContact O-N 3.22Å; I318-R320 PolarHBondContact O-N 3Å; I318-R320 VanDerWaalsContact O-N 3.1Å
321D91.1Very high94.1Very high141 Ų14141.5 Ų41.575%0.75420%0.196SC*.Hα-helixtrans-93.7-18.8-170.6-58.4-41.6000113.7I318I318-D321 PolarHBondContact O-N 2.7Å
322I94.6Very high94.3Very high28 Ų2840 Ų4014%0.14419%0.19CC..SBendtrans-130.7158.8-17653.6150.1000112.2R190 I318 V324R190-I322 HydrophobicContact CB-CD1 3.31Å; R190-I322 HydrophobicContact CG-CD1 3.37Å; I318-I322 HydrophobicContact CD1-CD1 4.14Å; I318-I322 HydrophobicContact CG1-CD1 3.7Å; I318-I322 HydrophobicContact CG1-CG1 3.86Å; I318-I322 WeakPolarHBondContact O-CG1 3.44Å; I318-I322 PolarHBondContact O-N 3.37Å; I322-V324 PolarHBondContact O-N 3.19Å
323P97.5Very high94.5Very high21 Ų2137.9 Ų37.914%0.13618%0.181CC..  trans-61.3131.4178.7-21.432.7000113L165 I167 V189L165-P323 HydrophobicContact CD2-CG 4.09Å; L165-P323 WeakPolarHBondContact O-CA 3.15Å; I167-P323 HydrophobicContact CD1-CB 3.85Å; I167-P323 HydrophobicContact CG1-CB 4.15Å; V189-P323 HydrophobicContact CG2-CB 4.47Å
324V98.4Very high94.6Very high0 Ų038.4 Ų38.40%018%0.183CC..EExtended strand (participates in β ladder)trans-97.1119172.8179.80000109.8K164 L165 F166 I167 V191 V193 F313 A319 I322 V326K164-V324 HydrophobicContact CD-CG2 4.21Å; K164-V324 HydrophobicContact CG-CG2 4.49Å; L165-V324 PolarHBondContact O-N 2.84Å; F166-V324 CarbonylContact C-O 3.56Å; F166-V324 VanDerWaalsContact CA-O 3.28Å; F166-V324 WeakPolarHBondContact CA-O 3.4Å; F166-V324 HydrophobicContact CD1-CB 3.88Å; F166-V324 HydrophobicContact CD1-CG1 4.2Å; F166-V324 HydrophobicContact CE1-CB 4.33Å; F166-V324 HydrophobicContact CE1-CG1 4.45Å; I167-V324 PolarHBondContact N-O 3.07Å; V191-V324 HydrophobicContact CB-CG1 4.4Å; V191-V324 HydrophobicContact CB-CG2 4.48Å; V191-V324 HydrophobicContact CG1-CG1 4.29Å; V193-V324 HydrophobicContact CG2-CG1 3.82Å; F313-V324 HydrophobicContact CE2-CG1 3.78Å; F313-V324 HydrophobicContact CE2-CG2 4.25Å; F313-V324 HydrophobicContact CZ-CG1 3.91Å; F313-V324 HydrophobicContact CZ-CG2 4.14Å; A319-V324 HydrophobicContact CB-CG2 3.79Å; I322-V324 PolarHBondContact O-N 3.19Å; V324-V326 HydrophobicContact CG1-CG2 4.09Å; V324-V326 PolarHBondContact O-N 2.83Å
325L98.8Very high94.8Very high0 Ų036.3 Ų36.30%017%0.173CC..EExtended strand (participates in β ladder)trans-83.5112.2177.8176.957.7000110.4I167 A169 F180 L183 I184 V189 V191 V192 V193I167-L325 HydrophobicContact CB-CD1 3.95Å; I167-L325 HydrophobicContact CG2-CD1 3.67Å; I167-L325 CarbonylContact O-C 3.57Å; I167-L325 WeakPolarHBondContact O-CA 3.14Å; I167-L325 WeakPolarHBondContact O-CD1 3.42Å; A169-L325 HydrophobicContact CB-CD1 3.64Å; F180-L325 HydrophobicContact CE1-CD2 3.95Å; F180-L325 HydrophobicContact CE2-CD1 4.5Å; F180-L325 HydrophobicContact CE2-CD2 3.81Å; F180-L325 HydrophobicContact CE2-CG 4.43Å; F180-L325 HydrophobicContact CZ-CD2 3.47Å; F180-L325 VanDerWaalsContact CZ-CD2 3.47Å; F180-L325 HydrophobicContact CZ-CG 4.19Å; L183-L325 HydrophobicContact CD2-CD1 3.71Å; L183-L325 HydrophobicContact CD2-CD2 3.94Å; I184-L325 HydrophobicContact CD1-CD2 4.1Å; I184-L325 HydrophobicContact CG1-CD2 3.6Å; V189-L325 HydrophobicContact CG1-CB 3.61Å; V189-L325 HydrophobicContact CG2-CB 4.2Å; V191-L325 PolarHBondContact O-N 2.7Å; V192-L325 CarbonylContact C-O 3.52Å; V192-L325 VanDerWaalsContact CA-O 3.29Å; V192-L325 WeakPolarHBondContact CA-O 3.43Å; V192-L325 HydrophobicContact CG1-CB 4.5Å; V192-L325 HydrophobicContact CG1-CD2 4.28Å; V192-L325 HydrophobicContact CG1-CG 4.29Å; V192-L325 HydrophobicContact CG2-CB 4.32Å; V192-L325 HydrophobicContact CG2-CD2 4.19Å; V193-L325 PolarHBondContact N-O 2.65Å
326V98.7Very high95.1Very high0 Ų031.1 Ų31.10%015%0.151CC..EExtended strand (participates in β ladder)trans-109.5124.8177.5-169.40000109.3F166 I167 A168 A169 V193 V324 T335 F338 I339F166-V326 HydrophobicContact CD1-CG2 3.65Å; F166-V326 HydrophobicContact CE1-CG2 4.23Å; I167-V326 PolarHBondContact O-N 2.97Å; A168-V326 WeakPolarHBondContact CA-O 3.49Å; A169-V326 PolarHBondContact N-O 3.31Å; V193-V326 HydrophobicContact CB-CB 4.45Å; V193-V326 HydrophobicContact CB-CG1 4.18Å; V193-V326 HydrophobicContact CB-CG2 4.16Å; V193-V326 HydrophobicContact CG1-CG1 4.3Å; V193-V326 HydrophobicContact CG2-CG2 4.49Å; V193-V326 CarbonylContact O-C 3.57Å; V193-V326 WeakPolarHBondContact O-CA 3.46Å; V324-V326 HydrophobicContact CG1-CG2 4.09Å; V324-V326 PolarHBondContact O-N 2.83Å; V326-T335 HydrophobicContact CB-CG2 3.96Å; V326-T335 HydrophobicContact CG1-CG2 3.79Å; V326-F338 HydrophobicContact CG1-CB 4.41Å; V326-F338 HydrophobicContact CG1-CD1 3.72Å; V326-F338 HydrophobicContact CG1-CE1 4.39Å; V326-F338 HydrophobicContact CG1-CG 4.28Å; V326-F338 HydrophobicContact CG2-CD1 3.99Å; V326-F338 HydrophobicContact CG2-CE1 4.01Å; V326-I339 HydrophobicContact CB-CD1 4.4Å; V326-I339 HydrophobicContact CG2-CD1 4.4Å; V326-I339 HydrophobicContact CG2-CG1 4.2Å
327H98.3Very high95.2Very high0 Ų029.7 Ų29.70%014%0.144CC..EExtended strand (participates in β ladder)trans-137.3155.1177.577.892.5000112.8A169 F180 V193 M194 V195 Y227A169-H327 HydrophobicContact CB-CB 4.39Å; A169-H327 VanDerWaalsContact O-CA 3.3Å; A169-H327 WeakPolarHBondContact O-CA 3.38Å; A169-H327 WeakPolarHBondContact O-CB 3.46Å; F180-H327 AromaticContact CZ-CD2 3.71Å; V193-H327 PolarHBondContact O-N 3.44Å; M194-H327 WeakPolarHBondContact CB-NE2 3.45Å; M194-H327 WeakPolarHBondContact CG-CE1 3.48Å; V195-H327 PolarHBondContact N-O 3.23Å; Y227-H327 AromaticContact CE1-CE1 3.52Å; Y227-H327 AromaticContact CE1-NE2 3.52Å; Y227-H327 AromaticContact CZ-NE2 3.51Å; Y227-H327 PolarHBondContact OH-NE2 2.85Å
328C95Very high95.6Very high4 Ų422.4 Ų22.43%0.02711%0.109CC..  trans-134.5-135.3170.362.60000108.3G171 V195 T196 G331 R334 T335G171-C328 WeakPolarHBondContact CA-O 3.09Å; G171-C328 PolarHBondContact N-O 3.33Å; V195-C328 HydrophobicContact CG2-CB 3.84Å; T196-C328 VanDerWaalsContact CG2-C 3.49Å; C328-G331 VanDerWaalsContact SG-CA 3.58Å; C328-G331 PolarHBondContact SG-N 2.81Å; C328-R334 HydrophobicContact CB-CB 3.9Å; C328-R334 HydrophobicContact CB-CG 4.5Å; C328-T335 PolarHBondContact N-OG1 3.24Å; C328-T335 PolarHBondContact SG-OG1 3.27Å
329S94.4Very high95.9Very high9 Ų918.9 Ų18.96%0.0639%0.091CC..SBendtrans-79.1-63.1171.1-168.90000111.5R123 Y124 G171 M223R123-S329 WeakPolarHBondContact CD-O 3.46Å; Y124-S329 PolarHBondContact OH-OG 3.25Å; G171-S329 PolarHBondContact N-O 3.5Å; M223-S329 WeakPolarHBondContact O-CA 3.38Å; M223-S329 WeakPolarHBondContact O-CB 3.45Å; M223-S329 PolarHBondContact O-OG 2.76Å
330A94.5Very high96.3Very high9 Ų918.8 Ų18.87%0.0749%0.091CC..SBendtrans-86.4-16.2178.800000113.7Y124 I127 V332 R367Y124-A330 HydrophobicContact CD2-CB 3.78Å; Y124-A330 HydrophobicContact CE2-CB 3.8Å; I127-A330 HydrophobicContact CG1-CB 4.02Å; I127-A330 HydrophobicContact CG2-CB 4.34Å; I127-A330 WeakPolarHBondContact CG2-O 3.4Å; A330-V332 HydrophobicContact CB-CG2 3.81Å; A330-R367 PolarHBondContact O-NH2 3.37Å
331G96.7Very high96.7Very high0 Ų010.8 Ų10.80%06%0.061CC..SBendtrans73.727.2-174.100000114.1A169 C328 T335 R367A169-G331 WeakPolarHBondContact O-CA 3.22Å; C328-G331 VanDerWaalsContact SG-CA 3.58Å; C328-G331 PolarHBondContact SG-N 2.81Å; G331-T335 WeakPolarHBondContact CA-OG1 3.26Å; G331-R367 PolarHBondContact O-NE 2.75Å
332V96.5Very high97Very high0 Ų04 Ų40%03%0.025CC..SBendtrans-130.5-61.8-175.3-58.20000113.4I127 A330 G336 R367 N368 F369 M370 V371I127-V332 HydrophobicContact CD1-CG2 4.2Å; I127-V332 HydrophobicContact CG2-CG1 3.77Å; A330-V332 HydrophobicContact CB-CG2 3.81Å; V332-G336 WeakPolarHBondContact O-CA 3.26Å; V332-G336 PolarHBondContact O-N 3.21Å; V332-R367 HydrophobicContact CG1-CG 4.32Å; V332-N368 VanDerWaalsContact CG1-O 3.27Å; V332-N368 WeakPolarHBondContact CG1-O 3.46Å; V332-F369 HydrophobicContact CB-CB 4.28Å; V332-F369 HydrophobicContact CG2-CB 4.15Å; V332-M370 HydrophobicContact CB-SD 4.39Å; V332-V371 PolarHBondContact O-N 3.03Å
333G95Very high97.1Very high3 Ų32.8 Ų2.83%0.0312%0.018CC..Hα-helixtrans-65.7-76.8-174.400000113T335 G336 T337G333-T335 VanDerWaalsContact C-N 3.29Å; G333-T335 PolarHBondContact O-N 3.48Å; G333-G336 PolarHBondContact O-N 3.48Å; G333-G336 VanDerWaalsContact O-N 3.12Å; G333-T337 PolarHBondContact O-N 2.77Å; G333-T337 PolarHBondContact O-OG1 2.66Å
334R95.4Very high97.1Very high11 Ų111.8 Ų1.84%0.0421%0.012CC..Hα-helixtrans-60.8-37.8179.9-52.9-173.7-178.1159.91.6113V195 T196 E200 W294 D296 C328 T337 F338V195-R334 HydrophobicContact CB-CB 4.45Å; V195-R334 HydrophobicContact CG2-CB 3.66Å; V195-R334 WeakPolarHBondContact O-CD 3.49Å; T196-R334 PolarHBondContact OG1-NH1 2.75Å; T196-R334 VanDerWaalsContact OG1-NH1 3.16Å; E200-R334 IonicContact OE1-CZ 3.8Å; E200-R334 IonicContact OE1-NH1 3.47Å; E200-R334 PolarHBondContact OE1-NH1 2.82Å; E200-R334 IonicContact OE1-NH2 3.08Å; E200-R334 IonicContact OE2-CZ 3.27Å; E200-R334 IonicContact OE2-NH1 3.86Å; E200-R334 PolarHBondContact OE2-NH1 2.77Å; E200-R334 IonicContact OE2-NH2 3.24Å; E200-R334 PolarHBondContact OE2-NH2 3.33Å; W294-R334 HydrophobicContact CD2-CB 4.33Å; W294-R334 HydrophobicContact CD2-CG 4.01Å; W294-R334 HydrophobicContact CE3-CB 4.12Å; W294-R334 HydrophobicContact CE3-CG 4.31Å; W294-R334 HydrophobicContact CH2-CB 3.68Å; W294-R334 HydrophobicContact CH2-CG 3.92Å; W294-R334 HydrophobicContact CZ2-CB 3.88Å; W294-R334 HydrophobicContact CZ2-CG 3.56Å; W294-R334 HydrophobicContact CZ3-CB 3.79Å; W294-R334 HydrophobicContact CZ3-CG 4.27Å; D296-R334 PolarHBondContact O-NH2 3.24Å; C328-R334 HydrophobicContact CB-CB 3.9Å; C328-R334 HydrophobicContact CB-CG 4.5Å; R334-T337 PolarHBondContact O-N 3.17Å; R334-F338 PolarHBondContact O-N 3.02Å
335T97.5Very high97Very high0 Ų02.2 Ų2.20%01%0.014CC..Hα-helixtrans-58.7-48.1174.1-64.50000111.2A168 V326 C328 G331 G333 F338 I339 M370A168-T335 HydrophobicContact CB-CG2 3.62Å; V326-T335 HydrophobicContact CB-CG2 3.96Å; V326-T335 HydrophobicContact CG1-CG2 3.79Å; C328-T335 PolarHBondContact N-OG1 3.24Å; C328-T335 PolarHBondContact SG-OG1 3.27Å; G331-T335 WeakPolarHBondContact CA-OG1 3.26Å; G333-T335 VanDerWaalsContact C-N 3.29Å; G333-T335 PolarHBondContact O-N 3.48Å; T335-F338 PolarHBondContact O-N 2.94Å; T335-I339 HydrophobicContact CG2-CD1 3.98Å; T335-I339 WeakPolarHBondContact O-CG1 3.48Å; T335-I339 PolarHBondContact O-N 3.13Å; T335-M370 HydrophobicContact CG2-CE 4.48Å
336G97.8Very high96.8Very high0 Ų04.5 Ų4.50%03%0.026CC..Hα-helixtrans-65.2-40.3177.400000112.8V332 G333 F338 I339 A340V332-G336 WeakPolarHBondContact O-CA 3.26Å; V332-G336 PolarHBondContact O-N 3.21Å; G333-G336 PolarHBondContact O-N 3.48Å; G333-G336 VanDerWaalsContact O-N 3.12Å; G336-F338 PolarHBondContact O-N 2.97Å; G336-I339 PolarHBondContact O-N 3.38Å; G336-A340 WeakPolarHBondContact O-CB 3.35Å; G336-A340 PolarHBondContact O-N 2.86Å
337T97.4Very high96.7Very high0 Ų05.2 Ų5.20%03%0.029CC..Hα-helixtrans-60.8-43.3174.2-56.90000112W294 G333 R334 A340 V341 Q376 F379 I380W294-T337 HydrophobicContact CH2-CG2 3.7Å; W294-T337 HydrophobicContact CZ3-CG2 4.49Å; G333-T337 PolarHBondContact O-N 2.77Å; G333-T337 PolarHBondContact O-OG1 2.66Å; R334-T337 PolarHBondContact O-N 3.17Å; T337-A340 PolarHBondContact O-N 2.82Å; T337-V341 WeakPolarHBondContact O-CG2 3.27Å; T337-V341 PolarHBondContact O-N 3.42Å; T337-Q376 WeakPolarHBondContact OG1-CB 3.32Å; T337-F379 HydrophobicContact CG2-CD1 3.83Å; T337-F379 HydrophobicContact CG2-CE1 4.4Å; T337-I380 HydrophobicContact CG2-CG1 3.95Å
338F97.8Very high96.6Very high0 Ų06.1 Ų6.10%03%0.034CC..Hα-helixtrans-60.6-50.5176.1176-90.1000112.3F166 V193 V195 F306 F309 M310 F313 V326 R334 T335 G336 A340 V341 D342F166-F338 HydrophobicContact CE1-CE1 4.33Å; V193-F338 HydrophobicContact CB-CE1 4.25Å; V193-F338 HydrophobicContact CB-CZ 4.31Å; V193-F338 HydrophobicContact CG1-CD1 4.21Å; V193-F338 HydrophobicContact CG1-CD2 4.14Å; V193-F338 HydrophobicContact CG1-CE1 3.87Å; V193-F338 HydrophobicContact CG1-CE2 3.79Å; V193-F338 HydrophobicContact CG1-CG 4.34Å; V193-F338 HydrophobicContact CG1-CZ 3.65Å; V193-F338 HydrophobicContact CG2-CE1 4.07Å; V193-F338 HydrophobicContact CG2-CZ 3.95Å; V195-F338 HydrophobicContact CG1-CB 4.31Å; V195-F338 HydrophobicContact CG1-CD2 4.17Å; V195-F338 HydrophobicContact CG1-CG 4.34Å; F306-F338 HydrophobicContact CE2-CD2 4.09Å; F306-F338 HydrophobicContact CZ-CB 4.38Å; F306-F338 HydrophobicContact CZ-CD2 4.01Å; F309-F338 HydrophobicContact CD1-CE2 4.12Å; F309-F338 HydrophobicContact CE1-CD2 4.22Å; F309-F338 AromaticContact CE1-CE2 3.69Å; F309-F338 HydrophobicContact CE1-CE2 3.69Å; M310-F338 HydrophobicContact CE-CD2 3.6Å; M310-F338 HydrophobicContact CE-CE2 3.65Å; M310-F338 HydrophobicContact CE-CG 4.27Å; M310-F338 HydrophobicContact CE-CZ 4.35Å; M310-F338 WeakPolarHBondContact CE-O 3.29Å; M310-F338 HydrophobicContact SD-CD2 4.08Å; M310-F338 HydrophobicContact SD-CE2 3.47Å; M310-F338 WeakPolarHBondContact SD-CE2 3.45Å; M310-F338 HydrophobicContact SD-CZ 3.78Å; F313-F338 AromaticContact CD1-CZ 3.7Å; F313-F338 HydrophobicContact CD1-CZ 3.7Å; F313-F338 HydrophobicContact CE1-CE1 4.18Å; F313-F338 AromaticContact CE1-CZ 3.8Å; F313-F338 HydrophobicContact CE1-CZ 3.8Å; F313-F338 HydrophobicContact CG-CZ 4.08Å; F313-F338 HydrophobicContact CZ-CE1 4.44Å; F313-F338 HydrophobicContact CZ-CZ 4.29Å; V326-F338 HydrophobicContact CG1-CB 4.41Å; V326-F338 HydrophobicContact CG1-CD1 3.72Å; V326-F338 HydrophobicContact CG1-CE1 4.39Å; V326-F338 HydrophobicContact CG1-CG 4.28Å; V326-F338 HydrophobicContact CG2-CD1 3.99Å; V326-F338 HydrophobicContact CG2-CE1 4.01Å; R334-F338 PolarHBondContact O-N 3.02Å; T335-F338 PolarHBondContact O-N 2.94Å; G336-F338 PolarHBondContact O-N 2.97Å; F338-A340 VanDerWaalsContact C-N 3.31Å; F338-A340 PolarHBondContact O-N 3.1Å; F338-V341 PolarHBondContact O-N 2.96Å; F338-D342 PolarHBondContact O-N 3.01Å
339I98.4Very high96.6Very high0 Ų010.2 Ų10.20%07%0.068CC..Hα-helixtrans-62.6-40.5179.7-66.3169.5000111I157 F166 A168 V326 T335 G336 S343 F359 L363 M370I157-I339 HydrophobicContact CB-CD1 4.32Å; I157-I339 HydrophobicContact CG1-CD1 4.37Å; I157-I339 HydrophobicContact CG2-CD1 4.19Å; I157-I339 HydrophobicContact CG2-CG2 4.01Å; F166-I339 HydrophobicContact CB-CD1 3.97Å; F166-I339 HydrophobicContact CB-CG1 4.39Å; F166-I339 HydrophobicContact CD1-CD1 4.49Å; F166-I339 HydrophobicContact CD1-CG1 4.06Å; F166-I339 HydrophobicContact CD2-CG1 4.3Å; F166-I339 HydrophobicContact CD2-CG2 3.81Å; F166-I339 HydrophobicContact CE1-CG1 4.28Å; F166-I339 HydrophobicContact CE2-CG2 3.79Å; F166-I339 HydrophobicContact CG-CD1 4.14Å; F166-I339 HydrophobicContact CG-CG1 4.02Å; F166-I339 HydrophobicContact CG-CG2 4.38Å; F166-I339 HydrophobicContact CZ-CG1 4.45Å; F166-I339 HydrophobicContact CZ-CG2 4.32Å; A168-I339 HydrophobicContact CB-CD1 4.41Å; V326-I339 HydrophobicContact CB-CD1 4.4Å; V326-I339 HydrophobicContact CG2-CD1 4.4Å; V326-I339 HydrophobicContact CG2-CG1 4.2Å; T335-I339 HydrophobicContact CG2-CD1 3.98Å; T335-I339 WeakPolarHBondContact O-CG1 3.48Å; T335-I339 PolarHBondContact O-N 3.13Å; G336-I339 PolarHBondContact O-N 3.38Å; I339-S343 VanDerWaalsContact O-CB 3.24Å; I339-S343 WeakPolarHBondContact O-CB 3.15Å; I339-S343 PolarHBondContact O-N 2.96Å; I339-S343 PolarHBondContact O-OG 3.48Å; I339-F359 HydrophobicContact CG2-CE1 4.42Å; I339-F359 HydrophobicContact CG2-CZ 4.47Å; I339-L363 HydrophobicContact CG2-CD2 3.91Å; I339-M370 HydrophobicContact CD1-CE 4.14Å
340A98.4Very high96.6Very high0 Ų015.5 Ų15.50%09%0.092CC..Hα-helixtrans-60.5-52.6176.900000111.5G336 T337 F338 D342 S343 L344 F359 L363 I380G336-A340 WeakPolarHBondContact O-CB 3.35Å; G336-A340 PolarHBondContact O-N 2.86Å; T337-A340 PolarHBondContact O-N 2.82Å; F338-A340 VanDerWaalsContact C-N 3.31Å; F338-A340 PolarHBondContact O-N 3.1Å; A340-D342 PolarHBondContact O-N 3.31Å; A340-S343 PolarHBondContact O-N 3.33Å; A340-L344 HydrophobicContact CB-CD1 4.34Å; A340-L344 WeakPolarHBondContact O-CB 3.4Å; A340-L344 WeakPolarHBondContact O-CD1 3.44Å; A340-L344 WeakPolarHBondContact O-CG 3.16Å; A340-L344 PolarHBondContact O-N 2.81Å; A340-F359 HydrophobicContact CB-CD1 4.12Å; A340-F359 HydrophobicContact CB-CE1 4.21Å; A340-L363 HydrophobicContact CB-CD1 4.16Å; A340-I380 HydrophobicContact CB-CD1 3.71Å; A340-I380 HydrophobicContact CB-CG1 4.2Å; A340-I380 HydrophobicContact CB-CG2 4.47Å
341V97.7Very high96.7Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-63.3-44.2-179.8178.80000111.2F306 L307 M310 T337 F338 S343 L344 M345 I380 A383 L384F306-V341 HydrophobicContact CE1-CB 3.93Å; F306-V341 HydrophobicContact CE1-CG1 3.91Å; F306-V341 HydrophobicContact CE1-CG2 4.04Å; F306-V341 HydrophobicContact CZ-CB 4.47Å; L307-V341 HydrophobicContact CD2-CG1 4.39Å; M310-V341 HydrophobicContact CE-CB 3.88Å; M310-V341 HydrophobicContact CE-CG1 3.95Å; T337-V341 WeakPolarHBondContact O-CG2 3.27Å; T337-V341 PolarHBondContact O-N 3.42Å; F338-V341 PolarHBondContact O-N 2.96Å; V341-S343 VanDerWaalsContact C-N 3.33Å; V341-S343 PolarHBondContact O-N 2.9Å; V341-L344 PolarHBondContact O-N 3.18Å; V341-M345 HydrophobicContact CG1-CG 4.25Å; V341-M345 HydrophobicContact CG1-SD 3.89Å; V341-M345 WeakPolarHBondContact O-CB 3.27Å; V341-M345 WeakPolarHBondContact O-CG 3.48Å; V341-M345 PolarHBondContact O-N 2.87Å; V341-I380 HydrophobicContact CG2-CB 4.41Å; V341-I380 HydrophobicContact CG2-CG1 4.18Å; V341-I380 HydrophobicContact CG2-CG2 4.29Å; V341-A383 HydrophobicContact CG1-CB 4.24Å; V341-A383 HydrophobicContact CG2-CB 4.14Å; V341-L384 HydrophobicContact CG1-CD2 4.47Å
342D97.3Very high96.7Very high0 Ų020.9 Ų20.90%013%0.126CC..Hα-helixtrans-57-46.9177.6-179.174.5000112.2K164 F166 M310 F313 K314 F338 A340K164-D342 IonicContact NZ-OD1 2.84Å; K164-D342 PolarHBondContact NZ-OD1 3Å; K164-D342 VanDerWaalsContact NZ-OD1 3.17Å; K164-D342 IonicContact NZ-OD2 2.87Å; K164-D342 PolarHBondContact NZ-OD2 2.86Å; F166-D342 HydrophobicContact CZ-CB 4.33Å; F166-D342 WeakPolarHBondContact CZ-OD2 3.41Å; M310-D342 HydrophobicContact CE-CB 4.15Å; M310-D342 HydrophobicContact SD-CB 3.68Å; F313-D342 WeakPolarHBondContact CE1-OD1 3.43Å; K314-D342 WeakPolarHBondContact CE-O 3.25Å; K314-D342 WeakPolarHBondContact CE-OD1 3.11Å; K314-D342 WeakPolarHBondContact CG-OD1 3.24Å; K314-D342 VanDerWaalsContact NZ-CG 3.29Å; K314-D342 PolarHBondContact NZ-O 3.34Å; K314-D342 IonicContact NZ-OD1 3.09Å; K314-D342 PolarHBondContact NZ-OD1 2.95Å; K314-D342 IonicContact NZ-OD2 2.95Å; F338-D342 PolarHBondContact O-N 3.01Å; A340-D342 PolarHBondContact O-N 3.31Å
343S97.7Very high96.7Very high1 Ų122.3 Ų22.31%0.00714%0.135CC..Hα-helixtrans-73.8-39.8-175.2-61.10000112.1G159 Y160 I339 A340 V341 M345 D346 Q347 F359G159-S343 WeakPolarHBondContact CA-OG 3.3Å; Y160-S343 VanDerWaalsContact CB-O 3.28Å; Y160-S343 WeakPolarHBondContact CB-O 3.11Å; Y160-S343 PolarHBondContact N-OG 2.74Å; I339-S343 VanDerWaalsContact O-CB 3.24Å; I339-S343 WeakPolarHBondContact O-CB 3.15Å; I339-S343 PolarHBondContact O-N 2.96Å; I339-S343 PolarHBondContact O-OG 3.48Å; A340-S343 PolarHBondContact O-N 3.33Å; V341-S343 VanDerWaalsContact C-N 3.33Å; V341-S343 PolarHBondContact O-N 2.9Å; S343-M345 VanDerWaalsContact C-N 3.35Å; S343-D346 WeakPolarHBondContact O-CB 3.49Å; S343-D346 PolarHBondContact O-N 3.01Å; S343-D346 VanDerWaalsContact O-N 3.16Å; S343-Q347 PolarHBondContact O-N 3.31Å; S343-F359 VanDerWaalsContact OG-CZ 3.28Å; S343-F359 WeakPolarHBondContact OG-CZ 3.31Å
344L97.9Very high96.8Very high0 Ų022.2 Ų22.20%013%0.134CC..Hα-helixtrans-75.3-25.3-178.7-67.6174.2000112.3A340 V341 D346 Q347 I348 V354 V356 F359 I380 L384A340-L344 HydrophobicContact CB-CD1 4.34Å; A340-L344 WeakPolarHBondContact O-CB 3.4Å; A340-L344 WeakPolarHBondContact O-CD1 3.44Å; A340-L344 WeakPolarHBondContact O-CG 3.16Å; A340-L344 PolarHBondContact O-N 2.81Å; V341-L344 PolarHBondContact O-N 3.18Å; L344-D346 VanDerWaalsContact C-N 3.31Å; L344-Q347 VanDerWaalsContact CD2-OE1 3.24Å; L344-Q347 PolarHBondContact O-N 3.29Å; L344-I348 WeakPolarHBondContact O-CG1 3.33Å; L344-I348 PolarHBondContact O-N 2.66Å; L344-V354 HydrophobicContact CB-CG2 3.63Å; L344-V354 HydrophobicContact CD1-CG2 4.12Å; L344-V354 HydrophobicContact CD2-CG2 3.63Å; L344-V354 HydrophobicContact CG-CG2 3.98Å; L344-V356 HydrophobicContact CD1-CB 4.36Å; L344-V356 HydrophobicContact CD1-CG1 4.44Å; L344-V356 HydrophobicContact CD1-CG2 4.02Å; L344-F359 HydrophobicContact CD1-CB 4.5Å; L344-F359 HydrophobicContact CD2-CB 3.7Å; L344-F359 HydrophobicContact CD2-CD1 4.42Å; L344-F359 HydrophobicContact CD2-CD2 4.2Å; L344-F359 HydrophobicContact CD2-CG 3.85Å; L344-F359 HydrophobicContact CG-CB 4.38Å; L344-F359 HydrophobicContact CG-CD1 4.3Å; L344-F359 HydrophobicContact CG-CG 4.22Å; L344-I380 HydrophobicContact CD1-CG2 3.81Å; L344-L384 HydrophobicContact CB-CD1 3.87Å; L344-L384 HydrophobicContact CB-CD2 3.76Å; L344-L384 HydrophobicContact CB-CG 4.45Å; L344-L384 HydrophobicContact CD1-CD1 3.86Å
345M95.8Very high96.8Very high10 Ų1023.7 Ų23.75%0.04914%0.143CC..Hα-helixtrans-62.4-39.1165.9-73.3170.377.800111.8M310 V341 S343 Q347 I348 A349 L384 W387M310-M345 HydrophobicContact CG-SD 3.81Å; V341-M345 HydrophobicContact CG1-CG 4.25Å; V341-M345 HydrophobicContact CG1-SD 3.89Å; V341-M345 WeakPolarHBondContact O-CB 3.27Å; V341-M345 WeakPolarHBondContact O-CG 3.48Å; V341-M345 PolarHBondContact O-N 2.87Å; S343-M345 VanDerWaalsContact C-N 3.35Å; M345-Q347 VanDerWaalsContact C-N 3.35Å; M345-I348 PolarHBondContact O-N 3.14Å; M345-A349 PolarHBondContact O-N 3.38Å; M345-A349 VanDerWaalsContact O-N 3.12Å; M345-L384 HydrophobicContact CG-CD2 3.95Å; M345-W387 HydrophobicContact CE-CD2 3.55Å; M345-W387 VanDerWaalsContact CE-CE2 3.41Å; M345-W387 HydrophobicContact CE-CE3 4.04Å; M345-W387 HydrophobicContact CE-CG 3.93Å; M345-W387 HydrophobicContact CE-CH2 4.24Å; M345-W387 HydrophobicContact CE-CZ2 3.78Å; M345-W387 HydrophobicContact CE-CZ3 4.36Å
346D95.1Very high96.8Very high47 Ų4723.8 Ų23.825%0.25114%0.143SC..Hα-helixtrans-68.9-36.4175.8-63.1-21.8000110.8Y160 K314 S343 L344 A349 E350Y160-D346 HydrophobicContact CD1-CB 3.84Å; Y160-D346 HydrophobicContact CE1-CB 4.49Å; K314-D346 IonicContact NZ-OD1 3.89Å; K314-D346 PolarHBondContact NZ-OD1 2.84Å; K314-D346 IonicContact NZ-OD2 3.07Å; K314-D346 PolarHBondContact NZ-OD2 3.08Å; S343-D346 WeakPolarHBondContact O-CB 3.49Å; S343-D346 PolarHBondContact O-N 3.01Å; S343-D346 VanDerWaalsContact O-N 3.16Å; L344-D346 VanDerWaalsContact C-N 3.31Å; D346-A349 PolarHBondContact O-N 2.9Å; D346-E350 PolarHBondContact O-N 2.85Å; D346-E350 VanDerWaalsContact O-N 3.1Å
347Q97.2Very high96.8Very high15 Ų1525.5 Ų25.57%0.0715%0.151CC..Hα-helixtrans-61.7-47.4172.9-170.6-179.78.600112.2Y160 S343 L344 M345 A349 E350 E351 C353 D355Y160-Q347 HydrophobicContact CD1-CB 4.45Å; Y160-Q347 HydrophobicContact CD2-CB 3.78Å; Y160-Q347 HydrophobicContact CD2-CG 4.09Å; Y160-Q347 HydrophobicContact CE1-CB 4.28Å; Y160-Q347 HydrophobicContact CE2-CB 3.62Å; Y160-Q347 HydrophobicContact CE2-CG 3.51Å; Y160-Q347 HydrophobicContact CG-CB 4.2Å; S343-Q347 PolarHBondContact O-N 3.31Å; L344-Q347 VanDerWaalsContact CD2-OE1 3.24Å; L344-Q347 PolarHBondContact O-N 3.29Å; M345-Q347 VanDerWaalsContact C-N 3.35Å; Q347-A349 VanDerWaalsContact C-N 3.28Å; Q347-A349 PolarHBondContact O-N 3.47Å; Q347-E350 PolarHBondContact O-N 3.31Å; Q347-E351 HydrophobicContact CG-CB 4.42Å; Q347-E351 HydrophobicContact CG-CG 4.47Å; Q347-E351 WeakPolarHBondContact CG-OE2 3.31Å; Q347-E351 PolarHBondContact NE2-OE2 2.77Å; Q347-E351 WeakPolarHBondContact O-CB 2.97Å; Q347-E351 PolarHBondContact O-N 2.72Å; Q347-C353 WeakPolarHBondContact CG-O 3.38Å; Q347-D355 VanDerWaalsContact OE1-N 3.12Å
348I95.9Very high96.7Very high19 Ų1926.5 Ų26.510%0.09716%0.161CC..Hα-helixtrans-57.9-43.7177-71.6169.9000110.6A78 L81 L344 M345 E350 G352 V354 L384A78-I348 HydrophobicContact CB-CG1 4.43Å; A78-I348 HydrophobicContact CB-CG2 3.84Å; L81-I348 HydrophobicContact CD1-CD1 3.83Å; L344-I348 WeakPolarHBondContact O-CG1 3.33Å; L344-I348 PolarHBondContact O-N 2.66Å; M345-I348 PolarHBondContact O-N 3.14Å; I348-E350 VanDerWaalsContact C-N 3.32Å; I348-E350 PolarHBondContact O-N 3.48Å; I348-G352 VanDerWaalsContact O-CA 3.32Å; I348-G352 WeakPolarHBondContact O-CA 3.41Å; I348-G352 PolarHBondContact O-N 2.94Å; I348-V354 HydrophobicContact CD1-CB 4.25Å; I348-V354 HydrophobicContact CD1-CG2 4.4Å; I348-V354 HydrophobicContact CG1-CB 3.89Å; I348-V354 HydrophobicContact CG1-CG2 4.26Å; I348-L384 HydrophobicContact CD1-CB 4.12Å; I348-L384 HydrophobicContact CD1-CD2 3.84Å; I348-L384 HydrophobicContact CD1-CG 4.48Å
349A93.7Very high96.7Very high90 Ų9027.4 Ų27.474%0.74417%0.165SC*.Hα-helixtrans-65.5-32.1-179.300000113.4M345 D346 Q347M345-A349 PolarHBondContact O-N 3.38Å; M345-A349 VanDerWaalsContact O-N 3.12Å; D346-A349 PolarHBondContact O-N 2.9Å; Q347-A349 VanDerWaalsContact C-N 3.28Å; Q347-A349 PolarHBondContact O-N 3.47Å
350E96Very high96.7Very high120 Ų12027.4 Ų27.456%0.56117%0.165SC*.Hα-helixtrans-91.9-39.7-178.5-168.8-175.1151.900113.3Y160 K161 D346 Q347 I348Y160-E350 HydrophobicContact CE1-CB 4.36Å; Y160-E350 WeakPolarHBondContact CE1-OE2 3.1Å; Y160-E350 PolarHBondContact OH-OE2 2.77Å; Y160-E350 VanDerWaalsContact OH-OE2 3.14Å; K161-E350 IonicContact NZ-OE1 2.79Å; K161-E350 PolarHBondContact NZ-OE1 3.45Å; K161-E350 IonicContact NZ-OE2 3.98Å; D346-E350 PolarHBondContact O-N 2.85Å; D346-E350 VanDerWaalsContact O-N 3.1Å; Q347-E350 PolarHBondContact O-N 3.31Å; I348-E350 VanDerWaalsContact C-N 3.32Å; I348-E350 PolarHBondContact O-N 3.48Å
351E96.4Very high96.6Very high85 Ų8527.7 Ų27.740%0.39717%0.167SC..Hα-helixtrans-112.8-10.7-168.4-61.1-177.4169.400113.6Y160 K161 Q347 C353Y160-E351 WeakPolarHBondContact OH-CG 3.45Å; Y160-E351 PolarHBondContact OH-OE1 2.62Å; K161-E351 WeakPolarHBondContact CE-OE1 3.31Å; K161-E351 IonicContact NZ-OE1 2.75Å; K161-E351 PolarHBondContact NZ-OE1 3.48Å; Q347-E351 HydrophobicContact CG-CB 4.42Å; Q347-E351 HydrophobicContact CG-CG 4.47Å; Q347-E351 WeakPolarHBondContact CG-OE2 3.31Å; Q347-E351 PolarHBondContact NE2-OE2 2.77Å; Q347-E351 WeakPolarHBondContact O-CB 2.97Å; Q347-E351 PolarHBondContact O-N 2.72Å; E351-C353 PolarHBondContact O-N 3.5Å; E351-C353 VanDerWaalsContact O-N 3.16Å
352G95.8Very high96.5Very high38 Ų3830.4 Ų30.439%0.39218%0.182SC..SBendtrans65.112.3-175.300000114.2A78 I348A78-G352 WeakPolarHBondContact CB-O 3.34Å; A78-G352 PolarHBondContact N-O 3.01Å; I348-G352 VanDerWaalsContact O-CA 3.32Å; I348-G352 WeakPolarHBondContact O-CA 3.41Å; I348-G352 PolarHBondContact O-N 2.94Å
353C96.5Very high96.5Very high30 Ų3030.4 Ų30.420%0.20318%0.182CC..EExtended strand (participates in β ladder)trans-143.1172.3178.768.50000110.5P75 T76 Q347 E351P75-C353 HydrophobicContact CB-CB 4.49Å; T76-C353 CarbonylContact O-C 3.58Å; T76-C353 WeakPolarHBondContact O-CA 3.49Å; T76-C353 VanDerWaalsContact O-CB 3.31Å; T76-C353 WeakPolarHBondContact O-CB 3.42Å; Q347-C353 WeakPolarHBondContact CG-O 3.38Å; E351-C353 PolarHBondContact O-N 3.5Å; E351-C353 VanDerWaalsContact O-N 3.16Å
354V96.7Very high96.4Very high0 Ų031 Ų310%018%0.184CC..EExtended strand (participates in β ladder)trans-144.4135-177.5730000112.2P75 T76 L81 L344 I348 V356 L384P75-V354 CarbonylContact C-O 3.59Å; P75-V354 WeakPolarHBondContact CA-O 3.43Å; T76-V354 PolarHBondContact N-O 2.78Å; T76-V354 PolarHBondContact O-N 2.84Å; L81-V354 HydrophobicContact CD1-CG1 3.79Å; L81-V354 HydrophobicContact CD2-CG1 3.41Å; L81-V354 VanDerWaalsContact CD2-CG1 3.41Å; L81-V354 HydrophobicContact CG-CG1 3.96Å; L344-V354 HydrophobicContact CB-CG2 3.63Å; L344-V354 HydrophobicContact CD1-CG2 4.12Å; L344-V354 HydrophobicContact CD2-CG2 3.63Å; L344-V354 HydrophobicContact CG-CG2 3.98Å; I348-V354 HydrophobicContact CD1-CB 4.25Å; I348-V354 HydrophobicContact CD1-CG2 4.4Å; I348-V354 HydrophobicContact CG1-CB 3.89Å; I348-V354 HydrophobicContact CG1-CG2 4.26Å; V354-V356 HydrophobicContact CG1-CG2 4.46Å; V354-V356 HydrophobicContact CG2-CG2 4.29Å; V354-L384 HydrophobicContact CG2-CD1 3.87Å
355D96.8Very high96.3Very high43 Ų4335.8 Ų35.823%0.2320%0.202CC..  trans-114.881.3177.5-177.68.8000110.8P75 Q347 G358 F359P75-D355 HydrophobicContact CB-CB 4.23Å; P75-D355 HydrophobicContact CG-CB 4.07Å; Q347-D355 VanDerWaalsContact OE1-N 3.12Å; D355-G358 WeakPolarHBondContact OD1-CA 3.48Å; D355-G358 PolarHBondContact OD1-N 3.49Å; D355-G358 WeakPolarHBondContact OD2-CA 3.39Å; D355-F359 WeakPolarHBondContact O-CB 3.34Å; D355-F359 PolarHBondContact O-N 3.41Å
356V97.4Very high96.4Very high1 Ų136.5 Ų36.51%0.00621%0.205CC..Hα-helixtrans-64.3-48.1-178.8-176.60000110.8L344 V354 F359 V360 Y377 I380 Y381 L384L344-V356 HydrophobicContact CD1-CB 4.36Å; L344-V356 HydrophobicContact CD1-CG1 4.44Å; L344-V356 HydrophobicContact CD1-CG2 4.02Å; V354-V356 HydrophobicContact CG1-CG2 4.46Å; V354-V356 HydrophobicContact CG2-CG2 4.29Å; V356-F359 PolarHBondContact O-N 3.06Å; V356-V360 HydrophobicContact CG1-CG2 4.24Å; V356-V360 WeakPolarHBondContact O-CB 3.21Å; V356-V360 VanDerWaalsContact O-CG2 3.29Å; V356-V360 WeakPolarHBondContact O-CG2 3.33Å; V356-V360 PolarHBondContact O-N 3.19Å; V356-Y377 HydrophobicContact CG1-CE1 4.46Å; V356-Y377 HydrophobicContact CG1-CE2 3.9Å; V356-I380 HydrophobicContact CG1-CB 4.32Å; V356-I380 HydrophobicContact CG1-CG2 3.78Å; V356-I380 HydrophobicContact CG2-CG2 4.17Å; V356-Y381 HydrophobicContact CB-CD2 4.24Å; V356-Y381 HydrophobicContact CB-CE2 3.49Å; V356-Y381 VanDerWaalsContact CB-CE2 3.49Å; V356-Y381 HydrophobicContact CG1-CD2 4.02Å; V356-Y381 HydrophobicContact CG1-CE2 3.56Å; V356-Y381 HydrophobicContact CG2-CD1 4.37Å; V356-Y381 HydrophobicContact CG2-CD2 3.99Å; V356-Y381 HydrophobicContact CG2-CE1 3.99Å; V356-Y381 HydrophobicContact CG2-CE2 3.59Å; V356-Y381 HydrophobicContact CG2-CG 4.36Å; V356-L384 HydrophobicContact CG2-CD1 4.06Å
357F96.9Very high96.5Very high36 Ų3634.3 Ų34.316%0.15819%0.193CC..Hα-helixtrans-61.7-50.2-178.3-179.2-92000111.9F73 E99 L103 F359 S361 Y377F73-F357 HydrophobicContact CB-CB 3.61Å; F73-F357 HydrophobicContact CB-CD1 3.8Å; F73-F357 HydrophobicContact CB-CD2 4.11Å; F73-F357 HydrophobicContact CB-CG 3.56Å; F73-F357 AromaticContact CD2-CD1 3.82Å; F73-F357 HydrophobicContact CD2-CD1 3.82Å; F73-F357 AromaticContact CD2-CD2 3.57Å; F73-F357 HydrophobicContact CD2-CD2 3.57Å; F73-F357 AromaticContact CD2-CE1 3.74Å; F73-F357 HydrophobicContact CD2-CE1 3.74Å; F73-F357 AromaticContact CD2-CE2 3.47Å; F73-F357 HydrophobicContact CD2-CE2 3.47Å; F73-F357 VanDerWaalsContact CD2-CE2 3.47Å; F73-F357 AromaticContact CD2-CG 3.75Å; F73-F357 HydrophobicContact CD2-CG 3.75Å; F73-F357 AromaticContact CD2-CZ 3.56Å; F73-F357 HydrophobicContact CD2-CZ 3.56Å; F73-F357 HydrophobicContact CE2-CD2 4.15Å; F73-F357 AromaticContact CE2-CE2 3.71Å; F73-F357 HydrophobicContact CE2-CE2 3.71Å; F73-F357 AromaticContact CE2-CZ 3.92Å; F73-F357 HydrophobicContact CE2-CZ 3.92Å; F73-F357 HydrophobicContact CG-CB 4.28Å; F73-F357 HydrophobicContact CG-CD1 4.2Å; F73-F357 AromaticContact CG-CD2 3.88Å; F73-F357 HydrophobicContact CG-CD2 3.88Å; F73-F357 HydrophobicContact CG-CE2 4.25Å; F73-F357 AromaticContact CG-CG 3.85Å; F73-F357 HydrophobicContact CG-CG 3.85Å; E99-F357 HydrophobicContact CG-CD2 3.83Å; E99-F357 WeakPolarHBondContact O-CE2 3.4Å; L103-F357 HydrophobicContact CD2-CD2 3.66Å; L103-F357 HydrophobicContact CD2-CE2 3.72Å; L103-F357 HydrophobicContact CD2-CG 4.33Å; L103-F357 HydrophobicContact CD2-CZ 4.41Å; L103-F357 HydrophobicContact CG-CD2 4.23Å; L103-F357 HydrophobicContact CG-CE2 4.05Å; F357-F359 PolarHBondContact O-N 3.24Å; F357-S361 WeakPolarHBondContact O-CB 3.48Å; F357-S361 PolarHBondContact O-N 3.24Å; F357-S361 PolarHBondContact O-OG 3.14Å; F357-Y377 VanDerWaalsContact CA-OH 3.24Å; F357-Y377 WeakPolarHBondContact CA-OH 3.24Å; F357-Y377 PolarHBondContact N-OH 3.08Å
358G95.8Very high96.3Very high21 Ų2134.4 Ų34.422%0.21619%0.194CC..Hα-helixtrans-64.1-40.3179.600000112.2D355 S361 N362D355-G358 WeakPolarHBondContact OD1-CA 3.48Å; D355-G358 PolarHBondContact OD1-N 3.49Å; D355-G358 WeakPolarHBondContact OD2-CA 3.39Å; G358-S361 WeakPolarHBondContact O-CB 3.32Å; G358-N362 WeakPolarHBondContact O-CB 3.19Å; G358-N362 PolarHBondContact O-N 2.99Å
359F97.5Very high96.3Very high19 Ų1937.3 Ų37.38%0.08321%0.206CC..Hα-helixtrans-67-48.2177.4-168.7-91.3000112.4I339 A340 S343 L344 D355 V356 F357 S361 N362 L363I339-F359 HydrophobicContact CG2-CE1 4.42Å; I339-F359 HydrophobicContact CG2-CZ 4.47Å; A340-F359 HydrophobicContact CB-CD1 4.12Å; A340-F359 HydrophobicContact CB-CE1 4.21Å; S343-F359 VanDerWaalsContact OG-CZ 3.28Å; S343-F359 WeakPolarHBondContact OG-CZ 3.31Å; L344-F359 HydrophobicContact CD1-CB 4.5Å; L344-F359 HydrophobicContact CD2-CB 3.7Å; L344-F359 HydrophobicContact CD2-CD1 4.42Å; L344-F359 HydrophobicContact CD2-CD2 4.2Å; L344-F359 HydrophobicContact CD2-CG 3.85Å; L344-F359 HydrophobicContact CG-CB 4.38Å; L344-F359 HydrophobicContact CG-CD1 4.3Å; L344-F359 HydrophobicContact CG-CG 4.22Å; D355-F359 WeakPolarHBondContact O-CB 3.34Å; D355-F359 PolarHBondContact O-N 3.41Å; V356-F359 PolarHBondContact O-N 3.06Å; F357-F359 PolarHBondContact O-N 3.24Å; F359-S361 VanDerWaalsContact C-N 3.32Å; F359-S361 PolarHBondContact O-N 2.88Å; F359-N362 CarbonylContact O-C 3.59Å; F359-N362 WeakPolarHBondContact O-CA 3.47Å; F359-N362 WeakPolarHBondContact O-CB 3.39Å; F359-N362 PolarHBondContact O-N 2.81Å; F359-L363 HydrophobicContact CD1-CD1 4Å; F359-L363 HydrophobicContact CD1-CD2 4.46Å; F359-L363 HydrophobicContact CD1-CG 3.97Å; F359-L363 HydrophobicContact CE1-CD1 3.77Å; F359-L363 HydrophobicContact CE1-CD2 3.72Å; F359-L363 HydrophobicContact CE1-CG 3.7Å; F359-L363 HydrophobicContact CZ-CD2 4.12Å; F359-L363 HydrophobicContact CZ-CG 4.5Å; F359-L363 PolarHBondContact O-N 3.1Å
360V97.8Very high96.4Very high0 Ų033 Ų330%017%0.171CC..Hα-helixtrans-65.1-37.5177.8176.30000111.1L103 V356 N362 L363 R364 V371 Y377 I380L103-V360 HydrophobicContact CD1-CG1 3.8Å; L103-V360 HydrophobicContact CD2-CB 4.14Å; L103-V360 HydrophobicContact CD2-CG1 3.98Å; V356-V360 HydrophobicContact CG1-CG2 4.24Å; V356-V360 WeakPolarHBondContact O-CB 3.21Å; V356-V360 VanDerWaalsContact O-CG2 3.29Å; V356-V360 WeakPolarHBondContact O-CG2 3.33Å; V356-V360 PolarHBondContact O-N 3.19Å; V360-N362 PolarHBondContact O-N 2.89Å; V360-L363 WeakPolarHBondContact O-CB 3.45Å; V360-L363 PolarHBondContact O-N 3.41Å; V360-R364 PolarHBondContact O-N 3.5Å; V360-V371 HydrophobicContact CG1-CB 3.95Å; V360-V371 HydrophobicContact CG1-CG2 3.96Å; V360-V371 HydrophobicContact CG2-CG2 4.06Å; V360-Y377 HydrophobicContact CB-CE2 4.16Å; V360-Y377 HydrophobicContact CG1-CD2 4.45Å; V360-Y377 HydrophobicContact CG1-CE2 4.28Å; V360-Y377 HydrophobicContact CG2-CD2 4.36Å; V360-Y377 HydrophobicContact CG2-CE2 4.02Å; V360-I380 HydrophobicContact CG2-CD1 4.09Å
361S96.3Very high96.5Very high6 Ų627.3 Ų27.34%0.04214%0.144CC..Hα-helixtrans-57.4-39.3170.5-66.30000111.8L103 P104 Y106 F357 G358 F359 R364 R365L103-S361 WeakPolarHBondContact CD2-OG 3.36Å; P104-S361 WeakPolarHBondContact CD-OG 3.25Å; Y106-S361 WeakPolarHBondContact CE2-O 3.3Å; F357-S361 WeakPolarHBondContact O-CB 3.48Å; F357-S361 PolarHBondContact O-N 3.24Å; F357-S361 PolarHBondContact O-OG 3.14Å; G358-S361 WeakPolarHBondContact O-CB 3.32Å; F359-S361 VanDerWaalsContact C-N 3.32Å; F359-S361 PolarHBondContact O-N 2.88Å; S361-R364 PolarHBondContact O-N 2.82Å; S361-R365 PolarHBondContact O-N 3.43Å
362N95.7Very high96.3Very high58 Ų5827.7 Ų27.731%0.3115%0.146SC..Hα-helixtrans-73.1-34.4175.9-163.942.3000113.3G358 F359 V360 R364 R365 Q366G358-N362 WeakPolarHBondContact O-CB 3.19Å; G358-N362 PolarHBondContact O-N 2.99Å; F359-N362 CarbonylContact O-C 3.59Å; F359-N362 WeakPolarHBondContact O-CA 3.47Å; F359-N362 WeakPolarHBondContact O-CB 3.39Å; F359-N362 PolarHBondContact O-N 2.81Å; V360-N362 PolarHBondContact O-N 2.89Å; N362-R364 VanDerWaalsContact C-N 3.33Å; N362-R365 WeakPolarHBondContact O-CB 3.22Å; N362-R365 PolarHBondContact O-N 2.7Å; N362-R365 PolarHBondContact OD1-NE 3.13Å; N362-R365 VanDerWaalsContact OD1-NE 3.09Å; N362-R365 PolarHBondContact OD1-NH2 2.8Å; N362-Q366 PolarHBondContact O-NE2 2.61Å
363L97.7Very high96.2Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-60.1-45.3171-67.8-178.2000110.8I157 I339 A340 F359 V360 R365 Q366 R367 M370I157-L363 HydrophobicContact CG2-CD2 3.39Å; I339-L363 HydrophobicContact CG2-CD2 3.91Å; A340-L363 HydrophobicContact CB-CD1 4.16Å; F359-L363 HydrophobicContact CD1-CD1 4Å; F359-L363 HydrophobicContact CD1-CD2 4.46Å; F359-L363 HydrophobicContact CD1-CG 3.97Å; F359-L363 HydrophobicContact CE1-CD1 3.77Å; F359-L363 HydrophobicContact CE1-CD2 3.72Å; F359-L363 HydrophobicContact CE1-CG 3.7Å; F359-L363 HydrophobicContact CZ-CD2 4.12Å; F359-L363 HydrophobicContact CZ-CG 4.5Å; F359-L363 PolarHBondContact O-N 3.1Å; V360-L363 WeakPolarHBondContact O-CB 3.45Å; V360-L363 PolarHBondContact O-N 3.41Å; L363-R365 PolarHBondContact O-N 3.42Å; L363-Q366 PolarHBondContact O-N 3.16Å; L363-R367 PolarHBondContact O-N 3.39Å; L363-M370 HydrophobicContact CB-CB 3.72Å; L363-M370 HydrophobicContact CB-CE 4.49Å; L363-M370 HydrophobicContact CB-CG 4.12Å; L363-M370 HydrophobicContact CD1-CE 4.44Å; L363-M370 HydrophobicContact CD2-CE 4.44Å
364R96.9Very high96.1Very high13 Ų1327.7 Ų27.75%0.04914%0.137CC..Hα-helixtrans-64.5-19.5178.5-72.2-173.1178.1-172.34.6114L103 P104 Y106 F130 V360 S361 N362 R367 M370 V371L103-R364 VanDerWaalsContact CB-NH1 3.27Å; P104-R364 WeakPolarHBondContact O-CD 3.33Å; Y106-R364 HydrophobicContact CD2-CB 4.13Å; Y106-R364 WeakPolarHBondContact CD2-O 3.27Å; Y106-R364 HydrophobicContact CE2-CB 4.3Å; F130-R364 WeakPolarHBondContact CE2-O 3.3Å; V360-R364 PolarHBondContact O-N 3.5Å; S361-R364 PolarHBondContact O-N 2.82Å; N362-R364 VanDerWaalsContact C-N 3.33Å; R364-R367 CarbonylContact C-O 3.58Å; R364-R367 WeakPolarHBondContact CA-O 3.46Å; R364-M370 HydrophobicContact CG-CB 4.2Å; R364-M370 PolarHBondContact NE-O 3.4Å; R364-M370 VanDerWaalsContact NE-O 3.07Å; R364-V371 PolarHBondContact NH2-O 2.95Å
365R95.7Very high95.9Very high101 Ų10130.3 Ų30.338%0.38115%0.151SC..Hα-helixtrans-73.6-30.2169.6-76.2-171.3-76.5-106.54.1113.1Y106 F108 F130 S361 N362 L363Y106-R365 HydrophobicContact CD1-CG 3.89Å; Y106-R365 HydrophobicContact CD2-CB 4.34Å; Y106-R365 HydrophobicContact CD2-CG 3.63Å; Y106-R365 HydrophobicContact CE1-CG 3.5Å; Y106-R365 HydrophobicContact CE2-CB 4.25Å; Y106-R365 HydrophobicContact CE2-CG 3.21Å; Y106-R365 HydrophobicContact CG-CG 3.94Å; Y106-R365 PolarHBondContact OH-NH1 2.79Å; F108-R365 HydrophobicContact CE2-CB 4.34Å; F108-R365 WeakPolarHBondContact CE2-O 3.4Å; F130-R365 WeakPolarHBondContact CD2-O 3.46Å; S361-R365 PolarHBondContact O-N 3.43Å; N362-R365 WeakPolarHBondContact O-CB 3.22Å; N362-R365 PolarHBondContact O-N 2.7Å; N362-R365 PolarHBondContact OD1-NE 3.13Å; N362-R365 VanDerWaalsContact OD1-NE 3.09Å; N362-R365 PolarHBondContact OD1-NH2 2.8Å; L363-R365 PolarHBondContact O-N 3.42Å
366Q96.9Very high95.8Very high25 Ų2528.5 Ų28.512%0.11714%0.141CC..Hα-helixtrans-94.3-28.8-172.6-62.1175.47900112.3T133 I157 N362 L363T133-Q366 PolarHBondContact OG1-O 3.27Å; I157-Q366 HydrophobicContact CD1-CB 3.57Å; N362-Q366 PolarHBondContact O-NE2 2.61Å; L363-Q366 PolarHBondContact O-N 3.16Å
367R97.2Very high95.7Very high0 Ų028.5 Ų28.50%014%0.141CC..SBendtrans-150.5142.8170.6-178.8170.2175.879.60.3109.5N153 N155 I157 A330 G331 V332 L363 R364 M370N153-R367 PolarHBondContact OD1-NH1 2.8Å; N153-R367 PolarHBondContact OD1-NH2 3.46Å; N155-R367 HydrophobicContact CB-CB 4.01Å; N155-R367 HydrophobicContact CB-CG 4.34Å; N155-R367 WeakPolarHBondContact OD1-CG 3.38Å; N155-R367 PolarHBondContact OD1-NH1 3.47Å; I157-R367 HydrophobicContact CD1-CB 3.79Å; A330-R367 PolarHBondContact O-NH2 3.37Å; G331-R367 PolarHBondContact O-NE 2.75Å; V332-R367 HydrophobicContact CG1-CG 4.32Å; L363-R367 PolarHBondContact O-N 3.39Å; R364-R367 CarbonylContact C-O 3.58Å; R364-R367 WeakPolarHBondContact CA-O 3.46Å; R367-M370 HydrophobicContact CB-CG 3.92Å; R367-M370 HydrophobicContact CB-SD 4.07Å; R367-M370 HydrophobicContact CG-CG 4.42Å; R367-M370 HydrophobicContact CG-SD 4.18Å; R367-M370 VanDerWaalsContact O-CG 3.25Å; R367-M370 WeakPolarHBondContact O-CG 3.37Å
368N93.5Very high95.6Very high17 Ų1727.2 Ų27.29%0.09114%0.136CC..THydrogen-bonded Turntrans-64.9154.1-178.570.3-9.5000112.2K128 F130 V332 M370K128-N368 PolarHBondContact N-ND2 2.88Å; K128-N368 PolarHBondContact O-ND2 3.41Å; K128-N368 PolarHBondContact O-OD1 3.48Å; K128-N368 VanDerWaalsContact O-OD1 3.11Å; F130-N368 HydrophobicContact CE1-CB 3.88Å; F130-N368 HydrophobicContact CE2-CB 4.32Å; F130-N368 HydrophobicContact CZ-CB 3.61Å; V332-N368 VanDerWaalsContact CG1-O 3.27Å; V332-N368 WeakPolarHBondContact CG1-O 3.46Å; N368-M370 PolarHBondContact O-N 2.88Å
369F94.6Very high95.6Very high80 Ų8026.5 Ų26.535%0.35113%0.127SC..THydrogen-bonded Turntrans55.418172.2-51.6-64.1000117.2D126 I127 V332 V371D126-F369 WeakPolarHBondContact O-CE2 3.36Å; I127-F369 HydrophobicContact CD1-CD2 3.74Å; I127-F369 HydrophobicContact CD1-CE2 4.38Å; I127-F369 HydrophobicContact CD1-CG 4.48Å; V332-F369 HydrophobicContact CB-CB 4.28Å; V332-F369 HydrophobicContact CG2-CB 4.15Å; F369-V371 PolarHBondContact O-N 3.47Å
370M97.4Very high95.6Very high0 Ų025.6 Ų25.60%012%0.123CC..SBendtrans-56.6128.8174.6-66.9-66.4-78.100110I157 A168 V332 T335 I339 L363 R364 R367 N368I157-M370 HydrophobicContact CD1-CE 4.31Å; I157-M370 HydrophobicContact CG1-CE 4.36Å; A168-M370 HydrophobicContact CB-CE 4.33Å; V332-M370 HydrophobicContact CB-SD 4.39Å; T335-M370 HydrophobicContact CG2-CE 4.48Å; I339-M370 HydrophobicContact CD1-CE 4.14Å; L363-M370 HydrophobicContact CB-CB 3.72Å; L363-M370 HydrophobicContact CB-CE 4.49Å; L363-M370 HydrophobicContact CB-CG 4.12Å; L363-M370 HydrophobicContact CD1-CE 4.44Å; L363-M370 HydrophobicContact CD2-CE 4.44Å; R364-M370 HydrophobicContact CG-CB 4.2Å; R364-M370 PolarHBondContact NE-O 3.4Å; R364-M370 VanDerWaalsContact NE-O 3.07Å; R367-M370 HydrophobicContact CB-CG 3.92Å; R367-M370 HydrophobicContact CB-SD 4.07Å; R367-M370 HydrophobicContact CG-CG 4.42Å; R367-M370 HydrophobicContact CG-SD 4.18Å; R367-M370 VanDerWaalsContact O-CG 3.25Å; R367-M370 WeakPolarHBondContact O-CG 3.37Å; N368-M370 PolarHBondContact O-N 2.88Å
371V96.4Very high95.5Very high0 Ų025.9 Ų25.90%012%0.124CC..SBendtrans57.191.3-166.3-170.10000110.6V332 V360 R364 F369 Q376 Y377 I380V332-V371 PolarHBondContact O-N 3.03Å; V360-V371 HydrophobicContact CG1-CB 3.95Å; V360-V371 HydrophobicContact CG1-CG2 3.96Å; V360-V371 HydrophobicContact CG2-CG2 4.06Å; R364-V371 PolarHBondContact NH2-O 2.95Å; F369-V371 PolarHBondContact O-N 3.47Å; V371-Q376 HydrophobicContact CG1-CB 3.88Å; V371-Y377 HydrophobicContact CG1-CD2 4.18Å; V371-I380 HydrophobicContact CG1-CD1 4.11Å; V371-I380 HydrophobicContact CG2-CD1 3.89Å
372Q93.4Very high95.3Very high93 Ų9326.3 Ų26.344%0.43513%0.126SC..  trans-90.4-23.1-161.2-168.5-17922.400113.5
373S93.1Very high95.2Very high29 Ų2923.6 Ų23.620%0.20311%0.111CC..SBendtrans-127.9155-176.268.90000112.2F100 D375 Q376 Y377F100-S373 VanDerWaalsContact CZ-C 3.49Å; S373-D375 VanDerWaalsContact C-N 3.32Å; S373-D375 PolarHBondContact O-N 3.21Å; S373-Q376 WeakPolarHBondContact O-CB 3.46Å; S373-Q376 PolarHBondContact O-N 3.36Å; S373-Q376 VanDerWaalsContact OG-CD 3.24Å; S373-Q376 WeakPolarHBondContact OG-CG 3.29Å; S373-Q376 PolarHBondContact OG-N 3.42Å; S373-Y377 PolarHBondContact O-N 3.37Å
374L94.1Very high95.1Very high40 Ų4023.6 Ų23.621%0.20911%0.111CC..Hα-helixtrans-54.1-46.1172.8179.661.9000112.1N93 F96 T97 F100 Q376 Y377 V378N93-L374 HydrophobicContact CB-CD2 4.26Å; F96-L374 HydrophobicContact CB-CD1 3.91Å; F96-L374 WeakPolarHBondContact O-CD1 3.22Å; T97-L374 WeakPolarHBondContact OG1-CD2 3.43Å; F100-L374 HydrophobicContact CB-CD1 3.77Å; F100-L374 HydrophobicContact CD1-CB 4.26Å; F100-L374 HydrophobicContact CD1-CD1 4.39Å; F100-L374 HydrophobicContact CG-CD1 4.13Å; L374-Q376 VanDerWaalsContact C-N 3.26Å; L374-Q376 PolarHBondContact O-N 3.12Å; L374-Y377 WeakPolarHBondContact O-CA 3.45Å; L374-Y377 VanDerWaalsContact O-CB 3.32Å; L374-Y377 WeakPolarHBondContact O-CB 3.36Å; L374-Y377 PolarHBondContact O-N 3.48Å; L374-V378 HydrophobicContact CD1-CG2 4.14Å; L374-V378 HydrophobicContact CG-CG2 4.2Å; L374-V378 WeakPolarHBondContact O-CG2 3.11Å; L374-V378 PolarHBondContact O-N 2.81Å
375D92.5Very high94.9Very high55 Ų5523 Ų2329%0.29411%0.109SC..Hα-helixtrans-58.7-37.6-178.9-65.3-38.3000112.4R298 A299 S373 Y377 F379R298-D375 HydrophobicContact CB-CB 3.82Å; R298-D375 WeakPolarHBondContact CB-OD2 3.38Å; R298-D375 WeakPolarHBondContact CD-OD2 3.32Å; R298-D375 WeakPolarHBondContact CG-OD2 3.39Å; A299-D375 HydrophobicContact CB-CB 4.35Å; A299-D375 WeakPolarHBondContact CB-O 3.34Å; S373-D375 VanDerWaalsContact C-N 3.32Å; S373-D375 PolarHBondContact O-N 3.21Å; D375-Y377 VanDerWaalsContact C-N 3.34Å; D375-F379 VanDerWaalsContact O-CB 3.26Å; D375-F379 WeakPolarHBondContact O-CB 3.31Å; D375-F379 PolarHBondContact O-N 3.1Å
376Q94.9Very high94.6Very high5 Ų518.2 Ų18.22%0.0239%0.091CC..Hα-helixtrans-66-36.9174.7-72.8166.38.300112.3W294 Y297 R298 T337 V371 S373 L374 I380W294-Q376 HydrophobicContact CZ2-CG 4.26Å; Y297-Q376 PolarHBondContact O-NE2 3.02Å; R298-Q376 WeakPolarHBondContact O-CG 3.05Å; R298-Q376 PolarHBondContact O-NE2 3.4Å; R298-Q376 VanDerWaalsContact O-NE2 3.16Å; T337-Q376 WeakPolarHBondContact OG1-CB 3.32Å; V371-Q376 HydrophobicContact CG1-CB 3.88Å; S373-Q376 WeakPolarHBondContact O-CB 3.46Å; S373-Q376 PolarHBondContact O-N 3.36Å; S373-Q376 VanDerWaalsContact OG-CD 3.24Å; S373-Q376 WeakPolarHBondContact OG-CG 3.29Å; S373-Q376 PolarHBondContact OG-N 3.42Å; L374-Q376 VanDerWaalsContact C-N 3.26Å; L374-Q376 PolarHBondContact O-N 3.12Å; Q376-I380 WeakPolarHBondContact O-CG1 3.42Å; Q376-I380 PolarHBondContact O-N 3.29Å
377Y96.3Very high94.2Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-69.6-47.6177.5-166.9-94.7000111.1F96 E99 F100 L103 V356 F357 V360 V371 S373 L374 D375 F379 I380 Y381F96-Y377 HydrophobicContact CD1-CD1 4.42Å; E99-Y377 HydrophobicContact CG-CE1 3.96Å; E99-Y377 PolarHBondContact OE1-OH 2.92Å; F100-Y377 HydrophobicContact CB-CD1 4.35Å; F100-Y377 HydrophobicContact CB-CG 4.43Å; F100-Y377 HydrophobicContact CD2-CD1 4.46Å; F100-Y377 AromaticContact CD2-CD2 3.86Å; F100-Y377 HydrophobicContact CD2-CD2 3.86Å; F100-Y377 AromaticContact CD2-CG 3.73Å; F100-Y377 HydrophobicContact CD2-CG 3.73Å; L103-Y377 HydrophobicContact CD1-CD2 3.97Å; L103-Y377 HydrophobicContact CD1-CE2 3.81Å; L103-Y377 HydrophobicContact CD2-CE2 4.34Å; L103-Y377 HydrophobicContact CG-CE2 4.45Å; V356-Y377 HydrophobicContact CG1-CE1 4.46Å; V356-Y377 HydrophobicContact CG1-CE2 3.9Å; F357-Y377 VanDerWaalsContact CA-OH 3.24Å; F357-Y377 WeakPolarHBondContact CA-OH 3.24Å; F357-Y377 PolarHBondContact N-OH 3.08Å; V360-Y377 HydrophobicContact CB-CE2 4.16Å; V360-Y377 HydrophobicContact CG1-CD2 4.45Å; V360-Y377 HydrophobicContact CG1-CE2 4.28Å; V360-Y377 HydrophobicContact CG2-CD2 4.36Å; V360-Y377 HydrophobicContact CG2-CE2 4.02Å; V371-Y377 HydrophobicContact CG1-CD2 4.18Å; S373-Y377 PolarHBondContact O-N 3.37Å; L374-Y377 WeakPolarHBondContact O-CA 3.45Å; L374-Y377 VanDerWaalsContact O-CB 3.32Å; L374-Y377 WeakPolarHBondContact O-CB 3.36Å; L374-Y377 PolarHBondContact O-N 3.48Å; D375-Y377 VanDerWaalsContact C-N 3.34Å; Y377-F379 VanDerWaalsContact C-N 3.25Å; Y377-F379 PolarHBondContact O-N 3.12Å; Y377-I380 WeakPolarHBondContact O-CB 3.49Å; Y377-I380 PolarHBondContact O-N 3.15Å; Y377-I380 VanDerWaalsContact O-N 3.11Å; Y377-Y381 HydrophobicContact CD1-CE2 4.44Å; Y377-Y381 HydrophobicContact CE1-CD2 4.31Å; Y377-Y381 AromaticContact CE1-CE2 3.76Å; Y377-Y381 HydrophobicContact CE1-CE2 3.76Å
378V94.7Very high93.8Very high10 Ų1023.2 Ų23.26%0.06111%0.111CC..Hα-helixtrans-57-41.5173.4176.40000110.8Y85 F96 L374 I380 Y381 K382Y85-V378 HydrophobicContact CE2-CG1 3.83Å; F96-V378 HydrophobicContact CB-CG2 3.88Å; F96-V378 HydrophobicContact CD1-CG2 4.2Å; F96-V378 HydrophobicContact CD2-CB 4.45Å; F96-V378 HydrophobicContact CD2-CG1 4.18Å; F96-V378 HydrophobicContact CD2-CG2 3.65Å; F96-V378 HydrophobicContact CE2-CB 4.5Å; F96-V378 HydrophobicContact CE2-CG1 3.9Å; F96-V378 HydrophobicContact CE2-CG2 4.16Å; F96-V378 HydrophobicContact CG-CG2 3.67Å; F96-V378 HydrophobicContact CZ-CG1 4.34Å; L374-V378 HydrophobicContact CD1-CG2 4.14Å; L374-V378 HydrophobicContact CG-CG2 4.2Å; L374-V378 WeakPolarHBondContact O-CG2 3.11Å; L374-V378 PolarHBondContact O-N 2.81Å; V378-I380 VanDerWaalsContact C-N 3.29Å; V378-I380 PolarHBondContact O-N 2.45Å; V378-Y381 PolarHBondContact O-N 2.94Å; V378-K382 PolarHBondContact O-N 2.99Å
379F94.9Very high93.4Very high6 Ų624.4 Ų24.43%0.02612%0.117CC..Hα-helixtrans-63.4-31.2178.6-177.9-96.4000113.6A299 P300 F306 T337 D375 Y377 K382 A383A299-F379 HydrophobicContact CB-CB 3.56Å; A299-F379 HydrophobicContact CB-CD2 4.1Å; A299-F379 HydrophobicContact CB-CG 3.87Å; P300-F379 HydrophobicContact CB-CE2 3.79Å; P300-F379 HydrophobicContact CB-CZ 3.78Å; P300-F379 HydrophobicContact CG-CD1 4.42Å; P300-F379 HydrophobicContact CG-CE1 3.81Å; P300-F379 HydrophobicContact CG-CE2 3.91Å; P300-F379 HydrophobicContact CG-CZ 3.52Å; F306-F379 HydrophobicContact CB-CZ 3.97Å; F306-F379 AromaticContact CD1-CE1 3.77Å; F306-F379 HydrophobicContact CD1-CE1 3.77Å; F306-F379 AromaticContact CD1-CZ 3.96Å; F306-F379 HydrophobicContact CD1-CZ 3.96Å; F306-F379 HydrophobicContact CD2-CE1 4.45Å; F306-F379 HydrophobicContact CE1-CE1 4.04Å; F306-F379 AromaticContact CG-CE1 3.99Å; F306-F379 HydrophobicContact CG-CE1 3.99Å; F306-F379 AromaticContact CG-CZ 3.94Å; F306-F379 HydrophobicContact CG-CZ 3.94Å; F306-F379 HydrophobicContact CZ-CE1 4.48Å; T337-F379 HydrophobicContact CG2-CD1 3.83Å; T337-F379 HydrophobicContact CG2-CE1 4.4Å; D375-F379 VanDerWaalsContact O-CB 3.26Å; D375-F379 WeakPolarHBondContact O-CB 3.31Å; D375-F379 PolarHBondContact O-N 3.1Å; Y377-F379 VanDerWaalsContact C-N 3.25Å; Y377-F379 PolarHBondContact O-N 3.12Å; F379-K382 PolarHBondContact O-N 2.84Å; F379-A383 HydrophobicContact CE1-CB 4.15Å; F379-A383 HydrophobicContact CZ-CB 4.35Å; F379-A383 VanDerWaalsContact O-CB 3.29Å; F379-A383 WeakPolarHBondContact O-CB 3.5Å; F379-A383 PolarHBondContact O-N 3.04Å
380I97Very high92.8Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-60.7-50.4174.6-66.3163.1000109.5T337 A340 V341 L344 V356 V360 V371 Q376 Y377 V378 K382 A383 L384T337-I380 HydrophobicContact CG2-CG1 3.95Å; A340-I380 HydrophobicContact CB-CD1 3.71Å; A340-I380 HydrophobicContact CB-CG1 4.2Å; A340-I380 HydrophobicContact CB-CG2 4.47Å; V341-I380 HydrophobicContact CG2-CB 4.41Å; V341-I380 HydrophobicContact CG2-CG1 4.18Å; V341-I380 HydrophobicContact CG2-CG2 4.29Å; L344-I380 HydrophobicContact CD1-CG2 3.81Å; V356-I380 HydrophobicContact CG1-CB 4.32Å; V356-I380 HydrophobicContact CG1-CG2 3.78Å; V356-I380 HydrophobicContact CG2-CG2 4.17Å; V360-I380 HydrophobicContact CG2-CD1 4.09Å; V371-I380 HydrophobicContact CG1-CD1 4.11Å; V371-I380 HydrophobicContact CG2-CD1 3.89Å; Q376-I380 WeakPolarHBondContact O-CG1 3.42Å; Q376-I380 PolarHBondContact O-N 3.29Å; Y377-I380 WeakPolarHBondContact O-CB 3.49Å; Y377-I380 PolarHBondContact O-N 3.15Å; Y377-I380 VanDerWaalsContact O-N 3.11Å; V378-I380 VanDerWaalsContact C-N 3.29Å; V378-I380 PolarHBondContact O-N 2.45Å; I380-K382 PolarHBondContact O-N 3.23Å; I380-A383 PolarHBondContact O-N 2.94Å; I380-L384 HydrophobicContact CG2-CD1 3.61Å; I380-L384 HydrophobicContact CG2-CG 4.42Å; I380-L384 WeakPolarHBondContact O-CB 3.23Å; I380-L384 WeakPolarHBondContact O-CD1 3.07Å; I380-L384 WeakPolarHBondContact O-CG 3.11Å; I380-L384 PolarHBondContact O-N 3.47Å
381Y95.7Very high92.1Very high5 Ų523 Ų232%0.0212%0.117CC..Hα-helixtrans-58.7-46.9175.2-83.9-92.3000111.9L81 F96 E99 V356 Y377 V378 A383 L384 A385L81-Y381 HydrophobicContact CD2-CD1 4.11Å; L81-Y381 HydrophobicContact CD2-CE1 4.33Å; F96-Y381 HydrophobicContact CD1-CD2 4.37Å; F96-Y381 HydrophobicContact CE1-CD1 4.31Å; F96-Y381 AromaticContact CE1-CD2 3.56Å; F96-Y381 HydrophobicContact CE1-CD2 3.56Å; F96-Y381 HydrophobicContact CE1-CE2 4.04Å; F96-Y381 AromaticContact CE1-CG 3.71Å; F96-Y381 HydrophobicContact CE1-CG 3.71Å; F96-Y381 HydrophobicContact CZ-CD2 4.41Å; F96-Y381 HydrophobicContact CZ-CG 4.16Å; E99-Y381 PolarHBondContact OE1-OH 2.76Å; V356-Y381 HydrophobicContact CB-CD2 4.24Å; V356-Y381 HydrophobicContact CB-CE2 3.49Å; V356-Y381 VanDerWaalsContact CB-CE2 3.49Å; V356-Y381 HydrophobicContact CG1-CD2 4.02Å; V356-Y381 HydrophobicContact CG1-CE2 3.56Å; V356-Y381 HydrophobicContact CG2-CD1 4.37Å; V356-Y381 HydrophobicContact CG2-CD2 3.99Å; V356-Y381 HydrophobicContact CG2-CE1 3.99Å; V356-Y381 HydrophobicContact CG2-CE2 3.59Å; V356-Y381 HydrophobicContact CG2-CG 4.36Å; Y377-Y381 HydrophobicContact CD1-CE2 4.44Å; Y377-Y381 HydrophobicContact CE1-CD2 4.31Å; Y377-Y381 AromaticContact CE1-CE2 3.76Å; Y377-Y381 HydrophobicContact CE1-CE2 3.76Å; V378-Y381 PolarHBondContact O-N 2.94Å; Y381-A383 PolarHBondContact O-N 2.84Å; Y381-L384 PolarHBondContact O-N 3.16Å; Y381-A385 WeakPolarHBondContact O-CB 3.26Å; Y381-A385 PolarHBondContact O-N 2.93Å
382K92.9Very high91.3Very high16 Ų1627.1 Ų27.17%0.0714%0.139CC..Hα-helixtrans-57-50.7178.2-171.1178.8174.7-177.50111.5Y85 V378 F379 I380 L384 A385 E386 L439 E440Y85-K382 HydrophobicContact CD2-CB 4.21Å; Y85-K382 HydrophobicContact CE2-CB 3.59Å; Y85-K382 HydrophobicContact CE2-CG 4.16Å; V378-K382 PolarHBondContact O-N 2.99Å; F379-K382 PolarHBondContact O-N 2.84Å; I380-K382 PolarHBondContact O-N 3.23Å; K382-L384 PolarHBondContact O-N 3.42Å; K382-A385 PolarHBondContact O-N 2.78Å; K382-E386 HydrophobicContact CG-CG 4.48Å; K382-E386 WeakPolarHBondContact O-CB 3.28Å; K382-E386 WeakPolarHBondContact O-CG 3.48Å; K382-E386 PolarHBondContact O-N 3.34Å; K382-L439 HydrophobicContact CG-CB 4.29Å; K382-L439 HydrophobicContact CG-CD1 4.45Å; K382-E440 VanDerWaalsContact CE-OE1 3.32Å; K382-E440 WeakPolarHBondContact CE-OE1 3.41Å; K382-E440 IonicContact NZ-OE1 2.68Å; K382-E440 PolarHBondContact NZ-OE1 3.05Å; K382-E440 IonicContact NZ-OE2 3.69Å; K382-E440 PolarHBondContact NZ-OE2 3.37Å
383A94.1Very high90.9Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-63.6-42.2-177.400000112.1L307 V341 F379 I380 Y381 W387L307-A383 HydrophobicContact CD2-CB 4.19Å; V341-A383 HydrophobicContact CG1-CB 4.24Å; V341-A383 HydrophobicContact CG2-CB 4.14Å; F379-A383 HydrophobicContact CE1-CB 4.15Å; F379-A383 HydrophobicContact CZ-CB 4.35Å; F379-A383 VanDerWaalsContact O-CB 3.29Å; F379-A383 WeakPolarHBondContact O-CB 3.5Å; F379-A383 PolarHBondContact O-N 3.04Å; I380-A383 PolarHBondContact O-N 2.94Å; Y381-A383 PolarHBondContact O-N 2.84Å; A383-W387 VanDerWaalsContact O-CB 3.22Å; A383-W387 WeakPolarHBondContact O-CB 3.41Å; A383-W387 PolarHBondContact O-N 3.32Å
384L95.5Very high90.6Very high0 Ų023.2 Ų23.20%012%0.12CC..Hα-helixtrans-68.4-42.6178-66.8164.7000111.9L81 V341 L344 M345 I348 V354 V356 I380 Y381 K382 W387 H388L81-L384 HydrophobicContact CD1-CB 4.22Å; V341-L384 HydrophobicContact CG1-CD2 4.47Å; L344-L384 HydrophobicContact CB-CD1 3.87Å; L344-L384 HydrophobicContact CB-CD2 3.76Å; L344-L384 HydrophobicContact CB-CG 4.45Å; L344-L384 HydrophobicContact CD1-CD1 3.86Å; M345-L384 HydrophobicContact CG-CD2 3.95Å; I348-L384 HydrophobicContact CD1-CB 4.12Å; I348-L384 HydrophobicContact CD1-CD2 3.84Å; I348-L384 HydrophobicContact CD1-CG 4.48Å; V354-L384 HydrophobicContact CG2-CD1 3.87Å; V356-L384 HydrophobicContact CG2-CD1 4.06Å; I380-L384 HydrophobicContact CG2-CD1 3.61Å; I380-L384 HydrophobicContact CG2-CG 4.42Å; I380-L384 WeakPolarHBondContact O-CB 3.23Å; I380-L384 WeakPolarHBondContact O-CD1 3.07Å; I380-L384 WeakPolarHBondContact O-CG 3.11Å; I380-L384 PolarHBondContact O-N 3.47Å; Y381-L384 PolarHBondContact O-N 3.16Å; K382-L384 PolarHBondContact O-N 3.42Å; L384-W387 PolarHBondContact O-N 2.99Å; L384-H388 WeakPolarHBondContact O-CB 3.48Å; L384-H388 PolarHBondContact O-N 2.89Å
385A92.5Very high90.5Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-64.5-46.9176.900000111.4L81 P82 Y381 K382 W387 H388 M389 L439L81-A385 HydrophobicContact CB-CB 3.93Å; P82-A385 HydrophobicContact CG-CB 4.44Å; Y381-A385 WeakPolarHBondContact O-CB 3.26Å; Y381-A385 PolarHBondContact O-N 2.93Å; K382-A385 PolarHBondContact O-N 2.78Å; A385-W387 VanDerWaalsContact C-N 3.33Å; A385-W387 PolarHBondContact O-N 3.15Å; A385-H388 PolarHBondContact O-N 2.8Å; A385-M389 WeakPolarHBondContact O-CB 3Å; A385-M389 WeakPolarHBondContact O-CG 3.46Å; A385-M389 PolarHBondContact O-N 2.71Å; A385-L439 HydrophobicContact CB-CD1 3.32Å
386E88.6Confident90.5Very high2 Ų222.5 Ų22.51%0.00912%0.116CC..Hα-helixtrans-66-35.4176.6-67.3-167.6132.100112.4S303 L307 K382 M389 F390 L439S303-E386 WeakPolarHBondContact CB-OE2 3.21Å; S303-E386 PolarHBondContact OG-OE2 3.38Å; L307-E386 HydrophobicContact CD1-CB 4.38Å; K382-E386 HydrophobicContact CG-CG 4.48Å; K382-E386 WeakPolarHBondContact O-CB 3.28Å; K382-E386 WeakPolarHBondContact O-CG 3.48Å; K382-E386 PolarHBondContact O-N 3.34Å; E386-M389 PolarHBondContact O-N 2.97Å; E386-F390 HydrophobicContact CB-CD2 4.08Å; E386-F390 HydrophobicContact CB-CE2 4.08Å; E386-F390 HydrophobicContact CG-CE2 4.07Å; E386-F390 WeakPolarHBondContact O-CD2 3.41Å; E386-F390 PolarHBondContact O-N 3.06Å; E386-L439 HydrophobicContact CG-CB 4.35Å; E386-L439 HydrophobicContact CG-CD1 3.66Å; E386-L439 HydrophobicContact CG-CG 4.1Å
387W89Confident90.4Very high62 Ų6223.3 Ų23.324%0.23512%0.124CC..Hα-helixtrans-61-45.4171.5175.8-106.8000111.7L307 M345 A383 L384 A385 G391 D392L307-W387 HydrophobicContact CD1-CB 4.09Å; L307-W387 HydrophobicContact CD2-CB 4.1Å; M345-W387 HydrophobicContact CE-CD2 3.55Å; M345-W387 VanDerWaalsContact CE-CE2 3.41Å; M345-W387 HydrophobicContact CE-CE3 4.04Å; M345-W387 HydrophobicContact CE-CG 3.93Å; M345-W387 HydrophobicContact CE-CH2 4.24Å; M345-W387 HydrophobicContact CE-CZ2 3.78Å; M345-W387 HydrophobicContact CE-CZ3 4.36Å; A383-W387 VanDerWaalsContact O-CB 3.22Å; A383-W387 WeakPolarHBondContact O-CB 3.41Å; A383-W387 PolarHBondContact O-N 3.32Å; L384-W387 PolarHBondContact O-N 2.99Å; A385-W387 VanDerWaalsContact C-N 3.33Å; A385-W387 PolarHBondContact O-N 3.15Å; W387-G391 WeakPolarHBondContact O-CA 3.49Å; W387-G391 PolarHBondContact O-N 3.01Å; W387-D392 HydrophobicContact CH2-CB 4.47Å
388H89.5Confident90.1Very high67 Ų6732.4 Ų32.431%0.3117%0.166SC..Hα-helixtrans-64.8-43.5176.8-172.967.1000112.4A78 D79 L384 A385A78-H388 PolarHBondContact O-CD2 3.36Å; A78-H388 PolarHBondContact O-NE2 2.98Å; D79-H388 WeakPolarHBondContact CA-NE2 3.48Å; D79-H388 PolarHBondContact N-NE2 2.83Å; D79-H388 IonicContact OD1-CE1 2.74Å; D79-H388 PolarHBondContact OD1-CE1 3.05Å; D79-H388 IonicContact OD1-NE2 3.61Å; D79-H388 PolarHBondContact OD1-NE2 2.87Å; L384-H388 WeakPolarHBondContact O-CB 3.48Å; L384-H388 PolarHBondContact O-N 2.89Å; A385-H388 PolarHBondContact O-N 2.8Å
389M84.8Confident90.1Very high42 Ų4239.6 Ų39.621%0.20719%0.192CC..Hα-helixtrans-68.2-42.1-175.7-69.5160.881.400113.7P82 A385 E386 L437 L439P82-M389 HydrophobicContact CB-CE 4.22Å; P82-M389 HydrophobicContact CB-CG 4.13Å; P82-M389 HydrophobicContact CB-SD 3.72Å; P82-M389 HydrophobicContact CG-CE 4.46Å; P82-M389 HydrophobicContact CG-CG 3.37Å; P82-M389 HydrophobicContact CG-SD 3.58Å; P82-M389 VanDerWaalsContact CG-SD 3.58Å; A385-M389 WeakPolarHBondContact O-CB 3Å; A385-M389 WeakPolarHBondContact O-CG 3.46Å; A385-M389 PolarHBondContact O-N 2.71Å; E386-M389 PolarHBondContact O-N 2.97Å; M389-L437 HydrophobicContact CE-CB 4.13Å; M389-L437 HydrophobicContact CE-CD2 3.42Å; M389-L437 VanDerWaalsContact CE-CD2 3.42Å; M389-L437 HydrophobicContact CE-CG 4.29Å; M389-L437 WeakPolarHBondContact CE-O 3.17Å; M389-L439 HydrophobicContact CE-CD2 4.28Å; M389-L439 HydrophobicContact CE-CG 4.38Å; M389-L439 HydrophobicContact SD-CD1 3.93Å; M389-L439 HydrophobicContact SD-CD2 4.07Å; M389-L439 HydrophobicContact SD-CG 3.93Å
390F82.4Confident90Very high28 Ų2839.4 Ų39.412%0.12319%0.192CC..Hα-helixtrans-110.7-18.6-171.2-50.4-57.4000112.8F304 E386 D392 T393 V427 L437 F678F304-F390 HydrophobicContact CE1-CD2 4.23Å; E386-F390 HydrophobicContact CB-CD2 4.08Å; E386-F390 HydrophobicContact CB-CE2 4.08Å; E386-F390 HydrophobicContact CG-CE2 4.07Å; E386-F390 WeakPolarHBondContact O-CD2 3.41Å; E386-F390 PolarHBondContact O-N 3.06Å; F390-D392 PolarHBondContact O-N 2.95Å; F390-T393 HydrophobicContact CB-CG2 4.38Å; F390-T393 WeakPolarHBondContact O-CG2 3.48Å; F390-V427 HydrophobicContact CE1-CG1 3.96Å; F390-L437 WeakPolarHBondContact CZ-O 3.31Å; F390-F678 HydrophobicContact CB-CE1 4.14Å; F390-F678 AromaticContact CD1-CE1 3.57Å; F390-F678 HydrophobicContact CD1-CE1 3.57Å; F390-F678 AromaticContact CD1-CZ 3.57Å; F390-F678 HydrophobicContact CD1-CZ 3.57Å; F390-F678 HydrophobicContact CE1-CE1 4.21Å; F390-F678 AromaticContact CE1-CZ 3.86Å; F390-F678 HydrophobicContact CE1-CZ 3.86Å; F390-F678 AromaticContact CG-CE1 3.79Å; F390-F678 HydrophobicContact CG-CE1 3.79Å; F390-F678 HydrophobicContact CG-CZ 4.26Å
391G81.7Confident89.9Confident22 Ų2246 Ų4623%0.22722%0.222CC..  trans52.7-139.1-175.900000112.8W387 K679W387-G391 WeakPolarHBondContact O-CA 3.49Å; W387-G391 PolarHBondContact O-N 3.01Å; G391-K679 PolarHBondContact O-NZ 3.45Å
392D80.2Confident89.9Confident88 Ų8850.8 Ų50.847%0.47125%0.245SC..  trans-96.699.3-179-168.617.5000112.7K311 W387 F390 D394K311-D392 WeakPolarHBondContact CE-OD1 3.44Å; K311-D392 WeakPolarHBondContact CE-OD2 3.38Å; K311-D392 IonicContact NZ-OD1 3.96Å; K311-D392 PolarHBondContact NZ-OD1 3.4Å; K311-D392 IonicContact NZ-OD2 3.54Å; K311-D392 PolarHBondContact NZ-OD2 3.31Å; W387-D392 HydrophobicContact CH2-CB 4.47Å; F390-D392 PolarHBondContact O-N 2.95Å; D392-D394 WeakPolarHBondContact OD1-CB 3.29Å; D392-D394 PolarHBondContact OD1-N 3.04Å
393T84.3Confident89.9Confident23 Ų2352 Ų5214%0.14125%0.251CS..  trans-94.90.8176.9550000113.3F390 I395 D676 F678 K679F390-T393 HydrophobicContact CB-CG2 4.38Å; F390-T393 WeakPolarHBondContact O-CG2 3.48Å; T393-I395 PolarHBondContact O-N 3.42Å; T393-D676 WeakPolarHBondContact CB-OD2 3.23Å; T393-D676 VanDerWaalsContact O-CG 3.3Å; T393-D676 VanDerWaalsContact OG1-CG 3.25Å; T393-D676 PolarHBondContact OG1-OD1 3.27Å; T393-D676 PolarHBondContact OG1-OD2 2.9Å; T393-F678 HydrophobicContact CG2-CD1 3.9Å; T393-K679 VanDerWaalsContact OG1-CD 3.22Å; T393-K679 WeakPolarHBondContact OG1-CD 3.39Å; T393-K679 WeakPolarHBondContact OG1-CE 3.28Å; T393-K679 WeakPolarHBondContact OG1-CG 3.48Å; T393-K679 PolarHBondContact OG1-NZ 3.22Å
394D87.3Confident90Very high16 Ų1652.2 Ų52.29%0.08625%0.252CS..  trans-79.1117.6177.3-100.90.4000109.9K311 D392 R668K311-D394 IonicContact NZ-OD2 3.53Å; D392-D394 WeakPolarHBondContact OD1-CB 3.29Å; D392-D394 PolarHBondContact OD1-N 3.04Å; D394-R668 IonicContact OD1-CZ 2.73Å; D394-R668 IonicContact OD1-NH1 3.63Å; D394-R668 PolarHBondContact OD1-NH1 2.87Å; D394-R668 IonicContact OD1-NH2 3.47Å; D394-R668 PolarHBondContact OD1-NH2 3.41Å; D394-R668 IonicContact OD2-NH2 3.55Å; D394-R668 PolarHBondContact OD2-NH2 3.03Å; D394-R668 VanDerWaalsContact OD2-NH2 3.07Å
395I91.1Very high90Very high20 Ų2059.2 Ų59.210%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-106.9129-178.5-55.7141.6000108.9T393 R399 I400 H403 K674 I675T393-I395 PolarHBondContact O-N 3.42Å; I395-R399 HydrophobicContact CG2-CB 4.28Å; I395-I400 HydrophobicContact CB-CD1 4.29Å; I395-I400 HydrophobicContact CD1-CD1 4.02Å; I395-I400 HydrophobicContact CG2-CB 4.29Å; I395-I400 HydrophobicContact CG2-CD1 3.88Å; I395-H403 WeakPolarHBondContact CD1-CD2 3.48Å; I395-H403 VanDerWaalsContact CD1-NE2 3.26Å; I395-H403 WeakPolarHBondContact CD1-NE2 3.41Å; I395-H403 HydrophobicContact CG2-CB 4.28Å; I395-K674 CarbonylContact O-C 3.52Å; I395-K674 VanDerWaalsContact O-CA 3.31Å; I395-K674 WeakPolarHBondContact O-CA 3.49Å; I395-I675 PolarHBondContact N-O 3.08Å; I395-I675 PolarHBondContact O-N 2.82Å
396D92.6Very high90Very high60 Ų6064 Ų6432%0.32130%0.3SS..EExtended strand (participates in β ladder)trans-69.3141.8171.6-63.1-54.1000109.9E398 R399 I400 K674D396-E398 PolarHBondContact O-N 3Å; D396-R399 PolarHBondContact O-N 3.2Å; D396-I400 PolarHBondContact O-N 3.47Å; D396-K674 WeakPolarHBondContact OD1-CE 2.96Å
397A92.5Very high90.2Very high23 Ų2364.3 Ų64.319%0.1930%0.302CS..G310 helixtrans-54.3-30.7-175.100000113.8R399 I400 L669 G673 I675 L709A397-R399 VanDerWaalsContact C-N 3.3Å; A397-R399 PolarHBondContact O-N 2.95Å; A397-I400 WeakPolarHBondContact O-CG2 3.48Å; A397-L669 HydrophobicContact CB-CD1 3.63Å; A397-G673 VanDerWaalsContact CB-O 3.28Å; A397-G673 WeakPolarHBondContact CB-O 3.36Å; A397-G673 PolarHBondContact N-O 3.33Å; A397-I675 HydrophobicContact CB-CD1 3.98Å; A397-L709 HydrophobicContact CB-CD1 4.41Å; A397-L709 HydrophobicContact CB-CD2 4.12Å
398E91.7Very high90.4Very high190 Ų19065.5 Ų65.589%0.88831%0.307SS*.G310 helixtrans-70.2-24.3178.5-62174.4-178.200113.5D396D396-E398 PolarHBondContact O-N 3Å
399R94.1Very high90.5Very high161 Ų16169.8 Ų69.861%0.60832%0.32SS*.G310 helixtrans-99.7-4.1-175.6-64.4-176.2-179.8-178.1-0.6113.4I395 D396 A397 E401 E402 H403I395-R399 HydrophobicContact CG2-CB 4.28Å; D396-R399 PolarHBondContact O-N 3.2Å; A397-R399 VanDerWaalsContact C-N 3.3Å; A397-R399 PolarHBondContact O-N 2.95Å; R399-E401 VanDerWaalsContact C-N 3.35Å; R399-E401 PolarHBondContact O-N 2.87Å; R399-E402 PolarHBondContact O-N 2.94Å; R399-H403 WeakPolarHBondContact O-CB 3.44Å; R399-H403 PolarHBondContact O-N 3.09Å
400I93.1Very high90.7Very high3 Ų372.3 Ų72.32%0.01533%0.331CS..Hα-helixtrans-67.4-34.9-171-167.363.4000112.9I395 D396 A397 H403 V404 Y702 V705 L706 L709I395-I400 HydrophobicContact CB-CD1 4.29Å; I395-I400 HydrophobicContact CD1-CD1 4.02Å; I395-I400 HydrophobicContact CG2-CB 4.29Å; I395-I400 HydrophobicContact CG2-CD1 3.88Å; D396-I400 PolarHBondContact O-N 3.47Å; A397-I400 WeakPolarHBondContact O-CG2 3.48Å; I400-H403 PolarHBondContact O-N 2.94Å; I400-V404 HydrophobicContact CD1-CG2 4.24Å; I400-V404 HydrophobicContact CG1-CG2 4.21Å; I400-V404 WeakPolarHBondContact O-CB 3.42Å; I400-V404 VanDerWaalsContact O-CG2 3.29Å; I400-V404 WeakPolarHBondContact O-CG2 3.43Å; I400-V404 PolarHBondContact O-N 2.83Å; I400-Y702 HydrophobicContact CD1-CD1 4.13Å; I400-Y702 HydrophobicContact CD1-CE1 4.07Å; I400-V705 HydrophobicContact CG1-CG1 3.82Å; I400-L706 HydrophobicContact CG1-CD2 4.5Å; I400-L706 HydrophobicContact CG2-CD2 4.06Å; I400-L709 HydrophobicContact CG2-CD1 3.32Å
401E94.7Very high90.8Very high139 Ų13972.8 Ų72.865%0.6534%0.338SS*.Hα-helixtrans-64.8-44.5178.6-173.4177.4177.600111.2R399 R405 L706R399-E401 VanDerWaalsContact C-N 3.35Å; R399-E401 PolarHBondContact O-N 2.87Å; E401-R405 WeakPolarHBondContact O-CB 3.37Å; E401-R405 PolarHBondContact O-N 2.84Å; E401-R405 VanDerWaalsContact O-N 3.07Å; E401-L706 HydrophobicContact CB-CD2 4.19Å
402E95.5Very high90.9Very high104 Ų10477.1 Ų77.149%0.48636%0.359SS..Hα-helixtrans-61.7-47.4173.2175.3165.3-131.200111.4R399 V404 R405 E406R399-E402 PolarHBondContact O-N 2.94Å; E402-V404 PolarHBondContact O-N 3Å; E402-R405 WeakPolarHBondContact O-CB 3.41Å; E402-R405 PolarHBondContact O-N 2.87Å; E402-R405 IonicContact OE1-NH2 2.76Å; E402-E406 WeakPolarHBondContact O-CG 3.38Å; E402-E406 PolarHBondContact O-N 2.91Å
403H93.6Very high91.2Very high43 Ų4380.7 Ų80.720%0.19938%0.378CS..Hα-helixtrans-60.2-45.7179.6179.575.2000112.5I395 R399 I400 R405 E406 L407 Y702I395-H403 WeakPolarHBondContact CD1-CD2 3.48Å; I395-H403 VanDerWaalsContact CD1-NE2 3.26Å; I395-H403 WeakPolarHBondContact CD1-NE2 3.41Å; I395-H403 HydrophobicContact CG2-CB 4.28Å; R399-H403 WeakPolarHBondContact O-CB 3.44Å; R399-H403 PolarHBondContact O-N 3.09Å; I400-H403 PolarHBondContact O-N 2.94Å; H403-R405 VanDerWaalsContact C-N 3.33Å; H403-R405 PolarHBondContact O-N 3.38Å; H403-E406 PolarHBondContact O-N 2.91Å; H403-L407 VanDerWaalsContact NE2-CD1 3.27Å; H403-L407 WeakPolarHBondContact NE2-CD1 2.9Å; H403-L407 WeakPolarHBondContact O-CG 3.31Å; H403-L407 PolarHBondContact O-N 2.88Å; H403-Y702 AromaticContact CD2-CE1 3.9Å
404V94.9Very high91.3Very high3 Ų382.9 Ų82.92%0.01839%0.389CS..Hα-helixtrans-66.1-37.1178.3174.90000111.5I400 E402 E406 L407 R408 Y702 L706I400-V404 HydrophobicContact CD1-CG2 4.24Å; I400-V404 HydrophobicContact CG1-CG2 4.21Å; I400-V404 WeakPolarHBondContact O-CB 3.42Å; I400-V404 VanDerWaalsContact O-CG2 3.29Å; I400-V404 WeakPolarHBondContact O-CG2 3.43Å; I400-V404 PolarHBondContact O-N 2.83Å; E402-V404 PolarHBondContact O-N 3Å; V404-E406 VanDerWaalsContact C-N 3.3Å; V404-E406 PolarHBondContact O-N 2.79Å; V404-L407 PolarHBondContact O-N 2.8Å; V404-R408 HydrophobicContact CG1-CG 4.22Å; V404-R408 WeakPolarHBondContact O-CB 3.2Å; V404-R408 WeakPolarHBondContact O-CG 3.46Å; V404-R408 PolarHBondContact O-N 2.87Å; V404-Y702 HydrophobicContact CG2-CD1 3.38Å; V404-Y702 HydrophobicContact CG2-CE1 4.15Å; V404-Y702 HydrophobicContact CG2-CG 3.93Å; V404-L706 HydrophobicContact CB-CD1 4.07Å; V404-L706 HydrophobicContact CG1-CD1 3.77Å; V404-L706 HydrophobicContact CG2-CD1 4.19Å; V404-L706 HydrophobicContact CG2-CD2 4.37Å; V404-L706 HydrophobicContact CG2-CG 4.34Å
405R95.3Very high91.1Very high148 Ų14887 Ų8756%0.55842%0.416SS*.Hα-helixtrans-61.7-39.5174.5-179.7-178.961.585.54.6111.6E401 E402 H403 R409E401-R405 WeakPolarHBondContact O-CB 3.37Å; E401-R405 PolarHBondContact O-N 2.84Å; E401-R405 VanDerWaalsContact O-N 3.07Å; E402-R405 WeakPolarHBondContact O-CB 3.41Å; E402-R405 PolarHBondContact O-N 2.87Å; E402-R405 IonicContact OE1-NH2 2.76Å; H403-R405 VanDerWaalsContact C-N 3.33Å; H403-R405 PolarHBondContact O-N 3.38Å; R405-R409 PolarHBondContact O-N 3.4Å
406E93.6Very high90.7Very high99 Ų9991.9 Ų91.946%0.46345%0.447SS..Hα-helixtrans-68.1-45.3174.1-70.3178.316800111.7E402 H403 V404 R408 R409E402-E406 WeakPolarHBondContact O-CG 3.38Å; E402-E406 PolarHBondContact O-N 2.91Å; H403-E406 PolarHBondContact O-N 2.91Å; V404-E406 VanDerWaalsContact C-N 3.3Å; V404-E406 PolarHBondContact O-N 2.79Å; E406-R408 VanDerWaalsContact C-N 3.31Å; E406-R408 PolarHBondContact O-N 2.86Å; E406-R409 VanDerWaalsContact O-CB 3.27Å; E406-R409 WeakPolarHBondContact O-CB 3.35Å; E406-R409 PolarHBondContact O-N 3.22Å; E406-R409 VanDerWaalsContact O-N 3.09Å
407L91.8Very high90.3Very high10 Ų1090.5 Ų90.55%0.05244%0.444CS..Hα-helixtrans-58.2-41177.7-78.4-172.8000113H403 V404 R409 T419 E420 M421 Y702H403-L407 VanDerWaalsContact NE2-CD1 3.27Å; H403-L407 WeakPolarHBondContact NE2-CD1 2.9Å; H403-L407 WeakPolarHBondContact O-CG 3.31Å; H403-L407 PolarHBondContact O-N 2.88Å; V404-L407 PolarHBondContact O-N 2.8Å; L407-R409 VanDerWaalsContact C-N 3.32Å; L407-T419 WeakPolarHBondContact O-CB 3.49Å; L407-E420 HydrophobicContact CD2-CB 3.88Å; L407-E420 PolarHBondContact O-N 2.85Å; L407-M421 HydrophobicContact CB-CB 4.06Å; L407-M421 HydrophobicContact CB-CE 4Å; L407-M421 HydrophobicContact CD1-CE 4.17Å; L407-M421 WeakPolarHBondContact O-CB 3.44Å; L407-M421 PolarHBondContact O-N 3.18Å; L407-Y702 HydrophobicContact CD1-CD2 4.47Å; L407-Y702 HydrophobicContact CD1-CE1 3.89Å; L407-Y702 HydrophobicContact CD1-CE2 3.82Å; L407-Y702 VanDerWaalsContact CD1-CZ 3.47Å
408R94.3Very high90Very high86 Ų8692 Ų9233%0.32545%0.449SS..THydrogen-bonded Turntrans-83.3-4.8179.7-67.2176.8175.3166.1-4.2113.5V404 E406 Q410 M421 D699 Q703V404-R408 HydrophobicContact CG1-CG 4.22Å; V404-R408 WeakPolarHBondContact O-CB 3.2Å; V404-R408 WeakPolarHBondContact O-CG 3.46Å; V404-R408 PolarHBondContact O-N 2.87Å; E406-R408 VanDerWaalsContact C-N 3.31Å; E406-R408 PolarHBondContact O-N 2.86Å; R408-Q410 PolarHBondContact O-N 2.99Å; R408-M421 HydrophobicContact CG-CE 3.93Å; R408-D699 IonicContact CZ-OD1 3.17Å; R408-D699 IonicContact NE-OD1 2.84Å; R408-D699 PolarHBondContact NE-OD1 3.01Å; R408-D699 IonicContact NE-OD2 3.85Å; R408-D699 IonicContact NH2-OD1 2.7Å; R408-D699 PolarHBondContact NH2-OD1 2.7Å; R408-D699 IonicContact NH2-OD2 3.6Å; R408-Q703 VanDerWaalsContact NH1-OE1 3.15Å
409R92Very high89.9Confident158 Ų15883.5 Ų83.560%0.59641%0.41SS*.PPolyproline II helixtrans-70.1121.8-175.9-173.7178177.7179.2-1.4110.6R405 E406 L407R405-R409 PolarHBondContact O-N 3.4Å; E406-R409 VanDerWaalsContact O-CB 3.27Å; E406-R409 WeakPolarHBondContact O-CB 3.35Å; E406-R409 PolarHBondContact O-N 3.22Å; E406-R409 VanDerWaalsContact O-N 3.09Å; L407-R409 VanDerWaalsContact C-N 3.32Å
410Q88.6Confident89.6Confident94 Ų9480.3 Ų80.344%0.43940%0.402SS..PPolyproline II helixtrans-71.6135.9170.6-75.3-70-11.500110.9R408 V412 T419R408-Q410 PolarHBondContact O-N 2.99Å; Q410-V412 PolarHBondContact O-N 3.43Å; Q410-T419 HydrophobicContact CG-CG2 4.21Å; Q410-T419 VanDerWaalsContact NE2-CG2 3.28Å
411P83.7Confident89.4Confident39 Ų3980.5 Ų80.525%0.25340%0.403SS..PPolyproline II helixtrans-60130.4173.8-2436.4000111.2D413 D414 A417P411-D413 VanDerWaalsContact C-N 3.34Å; P411-D413 PolarHBondContact O-N 3.24Å; P411-D414 CarbonylContact O-C 3.51Å; P411-A417 HydrophobicContact CB-CB 4.32Å; P411-A417 HydrophobicContact CG-CB 3.91Å
412V84.2Confident89.1Confident112 Ų11276 Ų7668%0.67938%0.382SS*.SBendtrans-68.7-36.5-175.9-1800000111.4Q410Q410-V412 PolarHBondContact O-N 3.43Å
413D87.4Confident88.6Confident164 Ų16475 Ų7588%0.87738%0.376SS*.SBendtrans-80.6-23.6-174.7-58-42.5000113P411P411-D413 VanDerWaalsContact C-N 3.34Å; P411-D413 PolarHBondContact O-N 3.24Å
414D86.4Confident88.1Confident69 Ų6974.7 Ų74.737%0.36938%0.375SS..  trans-147.794.6-179.6-176.52.9000111.1P411 T416 A417P411-D414 CarbonylContact O-C 3.51Å; D414-T416 PolarHBondContact O-N 3.04Å; D414-T416 VanDerWaalsContact O-N 3.09Å; D414-T416 WeakPolarHBondContact OD1-CA 3.29Å; D414-T416 WeakPolarHBondContact OD1-CB 3.47Å; D414-T416 PolarHBondContact OD1-N 3.13Å; D414-T416 PolarHBondContact OD1-OG1 3.45Å; D414-A417 HydrophobicContact CB-CB 3.97Å; D414-A417 WeakPolarHBondContact O-CB 3.42Å; D414-A417 PolarHBondContact O-N 2.89Å; D414-A417 PolarHBondContact OD1-N 2.98Å
415P82Confident87.6Confident101 Ų10176.5 Ų76.566%0.65638%0.382SS*.THydrogen-bonded Turntrans-64.1-9.3175.6-22.433.6000114.6
416T83Confident86.6Confident123 Ų12371 Ų7176%0.75536%0.364SS*.THydrogen-bonded Turntrans-93.3-9.8174.971.30000112.6D414D414-T416 PolarHBondContact O-N 3.04Å; D414-T416 VanDerWaalsContact O-N 3.09Å; D414-T416 WeakPolarHBondContact OD1-CA 3.29Å; D414-T416 WeakPolarHBondContact OD1-CB 3.47Å; D414-T416 PolarHBondContact OD1-N 3.13Å; D414-T416 PolarHBondContact OD1-OG1 3.45Å
417A84.7Confident85.1Confident31 Ų3168.2 Ų68.226%0.25635%0.354SS..SBendtrans-72.6144.417400000110.7P411 D414 T419P411-A417 HydrophobicContact CB-CB 4.32Å; P411-A417 HydrophobicContact CG-CB 3.91Å; D414-A417 HydrophobicContact CB-CB 3.97Å; D414-A417 WeakPolarHBondContact O-CB 3.42Å; D414-A417 PolarHBondContact O-N 2.89Å; D414-A417 PolarHBondContact OD1-N 2.98Å; A417-T419 PolarHBondContact O-N 2.73Å
418L85.6Confident83.2Confident55 Ų5575.5 Ų75.529%0.28838%0.381SS..PPolyproline II helixtrans-61.1136.9177.7-61.5179.3000110.9E422 K423 C430L418-E422 WeakPolarHBondContact CA-OE2 3.47Å; L418-E422 HydrophobicContact CB-CB 3.9Å; L418-E422 HydrophobicContact CD2-CB 4.08Å; L418-E422 HydrophobicContact CD2-CG 4.5Å; L418-E422 HydrophobicContact CG-CB 4.42Å; L418-K423 HydrophobicContact CB-CG 3.98Å; L418-K423 WeakPolarHBondContact O-CE 3.29Å; L418-C430 HydrophobicContact CD1-CB 4.34Å; L418-C430 WeakPolarHBondContact CD1-SG 3.31Å
419T88.9Confident80.5Confident12 Ų1280.1 Ų80.17%0.07440%0.398CS..PPolyproline II helixtrans-60.6161.7166.358.60000111.1L407 Q410 A417 M421 E422 K423L407-T419 WeakPolarHBondContact O-CB 3.49Å; Q410-T419 HydrophobicContact CG-CG2 4.21Å; Q410-T419 VanDerWaalsContact NE2-CG2 3.28Å; A417-T419 PolarHBondContact O-N 2.73Å; T419-M421 PolarHBondContact O-N 3.34Å; T419-E422 WeakPolarHBondContact CB-OE2 3.41Å; T419-E422 PolarHBondContact N-OE2 3.38Å; T419-E422 PolarHBondContact O-N 2.94Å; T419-E422 WeakPolarHBondContact OG1-CB 3.34Å; T419-E422 VanDerWaalsContact OG1-CG 3.24Å; T419-E422 WeakPolarHBondContact OG1-CG 3.4Å; T419-E422 PolarHBondContact OG1-N 3.32Å; T419-E422 VanDerWaalsContact OG1-N 3.11Å; T419-E422 PolarHBondContact OG1-OE2 2.93Å; T419-K423 WeakPolarHBondContact O-CG 3.36Å; T419-K423 PolarHBondContact O-N 3.15Å
420E87.6Confident77.7Confident93 Ų9376.4 Ų76.444%0.43540%0.395SS..Hα-helixtrans-63.2-32.5174.9-62.7-52.8125.400111.7L407 K423 E424L407-E420 HydrophobicContact CD2-CB 3.88Å; L407-E420 PolarHBondContact O-N 2.85Å; E420-K423 PolarHBondContact O-N 2.98Å; E420-K423 IonicContact OE1-NZ 2.66Å; E420-K423 PolarHBondContact OE1-NZ 2.87Å; E420-E424 VanDerWaalsContact O-CB 3.24Å; E420-E424 WeakPolarHBondContact O-CB 3.31Å; E420-E424 PolarHBondContact O-N 2.95Å
421M89.7Confident75.1Confident7 Ų776.4 Ų76.43%0.03440%0.402CS..Hα-helixtrans-63.2-45.3171.9-170.4171.8-7600112.2L407 R408 T419 K423 E424 F425 L695 Y698 D699 Y702L407-M421 HydrophobicContact CB-CB 4.06Å; L407-M421 HydrophobicContact CB-CE 4Å; L407-M421 HydrophobicContact CD1-CE 4.17Å; L407-M421 WeakPolarHBondContact O-CB 3.44Å; L407-M421 PolarHBondContact O-N 3.18Å; R408-M421 HydrophobicContact CG-CE 3.93Å; T419-M421 PolarHBondContact O-N 3.34Å; M421-K423 VanDerWaalsContact C-N 3.31Å; M421-E424 PolarHBondContact O-N 3.46Å; M421-F425 VanDerWaalsContact O-CB 3.28Å; M421-F425 WeakPolarHBondContact O-CB 3.49Å; M421-F425 PolarHBondContact O-N 3.49Å; M421-L695 HydrophobicContact CG-CD1 4.15Å; M421-Y698 HydrophobicContact CG-CD1 4.1Å; M421-Y698 HydrophobicContact CG-CE1 4.36Å; M421-D699 HydrophobicContact CE-CB 4.49Å; M421-D699 WeakPolarHBondContact CE-OD1 3.34Å; M421-D699 HydrophobicContact SD-CB 3.56Å; M421-D699 VanDerWaalsContact SD-CB 3.56Å; M421-D699 VanDerWaalsContact SD-OD1 3.38Å; M421-Y702 HydrophobicContact CE-CD2 3.74Å; M421-Y702 HydrophobicContact CE-CE2 4.3Å; M421-Y702 HydrophobicContact CE-CG 4.21Å
422E88.8Confident72.9Confident46 Ų4684.6 Ų84.622%0.21543%0.434CS..Hα-helixtrans-63.9-40.2176.2-78.4164.9139.200110.9L418 T419 N426 L695L418-E422 WeakPolarHBondContact CA-OE2 3.47Å; L418-E422 HydrophobicContact CB-CB 3.9Å; L418-E422 HydrophobicContact CD2-CB 4.08Å; L418-E422 HydrophobicContact CD2-CG 4.5Å; L418-E422 HydrophobicContact CG-CB 4.42Å; T419-E422 WeakPolarHBondContact CB-OE2 3.41Å; T419-E422 PolarHBondContact N-OE2 3.38Å; T419-E422 PolarHBondContact O-N 2.94Å; T419-E422 WeakPolarHBondContact OG1-CB 3.34Å; T419-E422 VanDerWaalsContact OG1-CG 3.24Å; T419-E422 WeakPolarHBondContact OG1-CG 3.4Å; T419-E422 PolarHBondContact OG1-N 3.32Å; T419-E422 VanDerWaalsContact OG1-N 3.11Å; T419-E422 PolarHBondContact OG1-OE2 2.93Å; E422-N426 WeakPolarHBondContact O-CA 3.33Å; E422-N426 WeakPolarHBondContact O-CB 3.33Å; E422-N426 PolarHBondContact O-N 2.85Å; E422-N426 PolarHBondContact O-ND2 3.43Å; E422-L695 HydrophobicContact CG-CD1 4.09Å; E422-L695 HydrophobicContact CG-CD2 3.46Å; E422-L695 VanDerWaalsContact CG-CD2 3.46Å; E422-L695 HydrophobicContact CG-CG 4.42Å
423K84.4Confident70.6Confident82 Ų8284.9 Ų84.936%0.35743%0.431SS..Hα-helixtrans-62.7-46.7174.1-70.6171.9-171.7166.20111.1L418 T419 E420 M421 N426 V427L418-K423 HydrophobicContact CB-CG 3.98Å; L418-K423 WeakPolarHBondContact O-CE 3.29Å; T419-K423 WeakPolarHBondContact O-CG 3.36Å; T419-K423 PolarHBondContact O-N 3.15Å; E420-K423 PolarHBondContact O-N 2.98Å; E420-K423 IonicContact OE1-NZ 2.66Å; E420-K423 PolarHBondContact OE1-NZ 2.87Å; M421-K423 VanDerWaalsContact C-N 3.31Å; K423-N426 CarbonylContact O-C 3.05Å; K423-N426 PolarHBondContact O-N 2.85Å; K423-V427 VanDerWaalsContact O-CG2 3.29Å; K423-V427 WeakPolarHBondContact O-CG2 3.41Å; K423-V427 PolarHBondContact O-N 3.3Å
424E84Confident68.3Low36 Ų3687.3 Ų87.317%0.16843%0.434CS..Hα-helixtrans-61.3-49179.4-170.7-176.4101.100111.6E420 M421 V427 F678 Y698 Y702E420-E424 VanDerWaalsContact O-CB 3.24Å; E420-E424 WeakPolarHBondContact O-CB 3.31Å; E420-E424 PolarHBondContact O-N 2.95Å; M421-E424 PolarHBondContact O-N 3.46Å; E424-V427 WeakPolarHBondContact O-CB 3.32Å; E424-V427 VanDerWaalsContact O-CG2 3.25Å; E424-V427 WeakPolarHBondContact O-CG2 3.06Å; E424-V427 PolarHBondContact O-N 2.82Å; E424-F678 HydrophobicContact CG-CD2 3.74Å; E424-F678 HydrophobicContact CG-CE2 4.36Å; E424-F678 HydrophobicContact CG-CG 4.41Å; E424-Y698 WeakPolarHBondContact OE1-CE1 3.24Å; E424-Y698 VanDerWaalsContact OE1-CZ 3.31Å; E424-Y698 PolarHBondContact OE1-OH 3.49Å; E424-Y702 PolarHBondContact OE1-OH 2.74Å
425F83.1Confident65.9Low41 Ų4192 Ų9218%0.1846%0.458CS..Hα-helixtrans-63-42.9174178.2-103.4000111.5M421 V427 L695 Y698M421-F425 VanDerWaalsContact O-CB 3.28Å; M421-F425 WeakPolarHBondContact O-CB 3.49Å; M421-F425 PolarHBondContact O-N 3.49Å; F425-V427 VanDerWaalsContact C-N 3.26Å; F425-V427 PolarHBondContact O-N 3.35Å; F425-L695 HydrophobicContact CB-CD1 3.81Å; F425-L695 HydrophobicContact CD1-CB 4.08Å; F425-L695 HydrophobicContact CD1-CD1 4.01Å; F425-L695 HydrophobicContact CE1-CB 4.18Å; F425-L695 HydrophobicContact CG-CD1 3.94Å; F425-Y698 HydrophobicContact CB-CD1 4.02Å; F425-Y698 HydrophobicContact CB-CE1 4.32Å; F425-Y698 HydrophobicContact CB-CG 4.28Å; F425-Y698 HydrophobicContact CD2-CD1 4.15Å; F425-Y698 AromaticContact CD2-CD2 3.71Å; F425-Y698 HydrophobicContact CD2-CD2 3.71Å; F425-Y698 HydrophobicContact CD2-CE2 4.46Å; F425-Y698 AromaticContact CD2-CG 3.53Å; F425-Y698 HydrophobicContact CD2-CG 3.53Å; F425-Y698 HydrophobicContact CE2-CD2 4.38Å; F425-Y698 HydrophobicContact CE2-CG 4.33Å; F425-Y698 HydrophobicContact CG-CD1 4.49Å; F425-Y698 HydrophobicContact CG-CG 4.28Å
426N74.4Confident64Low33 Ų3390.8 Ų90.818%0.17645%0.446CS..G310 helixtrans-85.821.3175.5-62.5-39.9000113E422 K423 R428 W429 C430E422-N426 WeakPolarHBondContact O-CA 3.33Å; E422-N426 WeakPolarHBondContact O-CB 3.33Å; E422-N426 PolarHBondContact O-N 2.85Å; E422-N426 PolarHBondContact O-ND2 3.43Å; K423-N426 CarbonylContact O-C 3.05Å; K423-N426 PolarHBondContact O-N 2.85Å; N426-R428 PolarHBondContact O-N 3.47Å; N426-W429 HydrophobicContact CB-CB 4.14Å; N426-W429 WeakPolarHBondContact O-CA 3.29Å; N426-W429 PolarHBondContact O-N 3.06Å; N426-C430 HydrophobicContact CB-CB 4.31Å; N426-C430 PolarHBondContact O-N 3.11Å
427V63.6Low62.6Low41 Ų4186.7 Ų86.725%0.24842%0.419CS..G310 helixtrans-59.8-8.7163.6171.40000109.6F390 K423 E424 F425 L437 F678F390-V427 HydrophobicContact CE1-CG1 3.96Å; K423-V427 VanDerWaalsContact O-CG2 3.29Å; K423-V427 WeakPolarHBondContact O-CG2 3.41Å; K423-V427 PolarHBondContact O-N 3.3Å; E424-V427 WeakPolarHBondContact O-CB 3.32Å; E424-V427 VanDerWaalsContact O-CG2 3.25Å; E424-V427 WeakPolarHBondContact O-CG2 3.06Å; E424-V427 PolarHBondContact O-N 2.82Å; F425-V427 VanDerWaalsContact C-N 3.26Å; F425-V427 PolarHBondContact O-N 3.35Å; V427-L437 HydrophobicContact CG1-CB 4.38Å; V427-L437 HydrophobicContact CG1-CD1 4.01Å; V427-L437 WeakPolarHBondContact O-CD1 3.11Å; V427-F678 HydrophobicContact CB-CE2 4.24Å; V427-F678 HydrophobicContact CG1-CE2 4.45Å; V427-F678 HydrophobicContact CG1-CZ 4.32Å; V427-F678 HydrophobicContact CG2-CE2 4.39Å
428R50.4Low61.6Low162 Ų16287.5 Ų87.561%0.61142%0.421SS*.G310 helixtrans-81.3-16.6165.6-166.1169.3178.8139.52.5115.8N426N426-R428 PolarHBondContact O-N 3.47Å
429W38.8Very low61.1Low184 Ų18485 Ų8570%0.69741%0.408SS*.THydrogen-bonded Turntrans-135.3-21.4-165.6-55.8108.5000116.7N426N426-W429 HydrophobicContact CB-CB 4.14Å; N426-W429 WeakPolarHBondContact O-CA 3.29Å; N426-W429 PolarHBondContact O-N 3.06Å
430C32.5Very low60.3Low79 Ų7985.3 Ų85.353%0.53441%0.408SS..  trans-111.324.1-164.7-109.20000117.3L418 N426L418-C430 HydrophobicContact CD1-CB 4.34Å; L418-C430 WeakPolarHBondContact CD1-SG 3.31Å; N426-C430 HydrophobicContact CB-CB 4.31Å; N426-C430 PolarHBondContact O-N 3.11Å
431T33.4Very low59.6Low94 Ų9485.2 Ų85.258%0.57741%0.411SS*.SBendtrans-113.6141161.8-31.90000108.6D433 L437T431-D433 PolarHBondContact O-N 3.48Å; T431-L437 WeakPolarHBondContact OG1-CD1 3.42Å
432K38.2Very low58.7Low212 Ų21291.8 Ų91.892%0.92244%0.442SS*.SBendtrans-57.11.9-163-102.4176.8176.51750117.7
433D34.7Very low58.3Low117 Ų11790.9 Ų90.963%0.62644%0.44SS*.SBendtrans-117.3112.1174.4-74.6-42.4000111.7T431 L435 L436T431-D433 PolarHBondContact O-N 3.48Å; D433-L435 PolarHBondContact O-N 3.21Å; D433-L436 PolarHBondContact O-N 3.22Å
434K39Very low58.4Low215 Ų21589.4 Ų89.494%0.93544%0.44SS*.THydrogen-bonded Turntrans-61.520.2-173.2-86.1-179.6171.1178.40116.9
435L37.4Very low58.7Low167 Ų16789.3 Ų89.387%0.87444%0.443SS*.THydrogen-bonded Turntrans-152.84.2-180-123.4114.6000115.7D433D433-L435 PolarHBondContact O-N 3.21Å
436L42.2Very low59.1Low76 Ų7694.5 Ų94.540%0.39847%0.468SS..  trans-106.5135-173-121.373.9000109.8L86 D433L86-L436 HydrophobicContact CD1-CD1 3.34Å; L86-L436 HydrophobicContact CD1-CD2 4.49Å; L86-L436 HydrophobicContact CD1-CG 3.61Å; D433-L436 PolarHBondContact O-N 3.22Å
437L52.5Low59.9Low37 Ų3794.6 Ų94.619%0.19447%0.467CS..SBendtrans145.5-7.6150.7-74.4161.1000112.9M389 F390 V427 T431 K682M389-L437 HydrophobicContact CE-CB 4.13Å; M389-L437 HydrophobicContact CE-CD2 3.42Å; M389-L437 VanDerWaalsContact CE-CD2 3.42Å; M389-L437 HydrophobicContact CE-CG 4.29Å; M389-L437 WeakPolarHBondContact CE-O 3.17Å; F390-L437 WeakPolarHBondContact CZ-O 3.31Å; V427-L437 HydrophobicContact CG1-CB 4.38Å; V427-L437 HydrophobicContact CG1-CD1 4.01Å; V427-L437 WeakPolarHBondContact O-CD1 3.11Å; T431-L437 WeakPolarHBondContact OG1-CD1 3.42Å; L437-K682 PolarHBondContact O-NZ 3.37Å
438T64.8Low61.3Low48 Ų4892.8 Ų92.829%0.29446%0.456SS..  trans-97.2119.1156.1-164.90000108.3E440T438-E440 VanDerWaalsContact OG1-CB 3.31Å; T438-E440 WeakPolarHBondContact OG1-CB 3.48Å; T438-E440 PolarHBondContact OG1-N 3.05Å
439L73.9Confident63.4Low2 Ų288 Ų881%0.0144%0.44CS..  trans-79.7-2.8168.2-56.7-169.6000111.4P82 Y85 L86 K382 A385 E386 M389P82-L439 HydrophobicContact CB-CD2 4.26Å; Y85-L439 HydrophobicContact CD1-CB 3.97Å; Y85-L439 HydrophobicContact CD1-CD1 4.11Å; Y85-L439 HydrophobicContact CD1-CD2 3.76Å; Y85-L439 HydrophobicContact CD1-CG 4.15Å; Y85-L439 HydrophobicContact CE1-CB 3.63Å; Y85-L439 HydrophobicContact CE1-CD1 4.47Å; Y85-L439 HydrophobicContact CE1-CD2 4.28Å; Y85-L439 HydrophobicContact CE1-CG 4.33Å; Y85-L439 VanDerWaalsContact CE1-O 3.31Å; Y85-L439 WeakPolarHBondContact CE1-O 3.42Å; Y85-L439 HydrophobicContact CG-CD1 4.28Å; Y85-L439 HydrophobicContact CG-CD2 4.49Å; Y85-L439 PolarHBondContact OH-O 2.94Å; Y85-L439 VanDerWaalsContact OH-O 3.13Å; L86-L439 HydrophobicContact CD2-CD2 4.33Å; L86-L439 HydrophobicContact CG-CD2 4.16Å; K382-L439 HydrophobicContact CG-CB 4.29Å; K382-L439 HydrophobicContact CG-CD1 4.45Å; A385-L439 HydrophobicContact CB-CD1 3.32Å; E386-L439 HydrophobicContact CG-CB 4.35Å; E386-L439 HydrophobicContact CG-CD1 3.66Å; E386-L439 HydrophobicContact CG-CG 4.1Å; M389-L439 HydrophobicContact CE-CD2 4.28Å; M389-L439 HydrophobicContact CE-CG 4.38Å; M389-L439 HydrophobicContact SD-CD1 3.93Å; M389-L439 HydrophobicContact SD-CD2 4.07Å; M389-L439 HydrophobicContact SD-CG 3.93Å
440E72.8Confident66Low19 Ų1983.2 Ų83.29%0.08942%0.424CS..SBendtrans-73.9136.7173.5-60.9-71.4170.800111K382 T438 V686K382-E440 VanDerWaalsContact CE-OE1 3.32Å; K382-E440 WeakPolarHBondContact CE-OE1 3.41Å; K382-E440 IonicContact NZ-OE1 2.68Å; K382-E440 PolarHBondContact NZ-OE1 3.05Å; K382-E440 IonicContact NZ-OE2 3.69Å; K382-E440 PolarHBondContact NZ-OE2 3.37Å; T438-E440 VanDerWaalsContact OG1-CB 3.31Å; T438-E440 WeakPolarHBondContact OG1-CB 3.48Å; T438-E440 PolarHBondContact OG1-N 3.05Å; E440-V686 HydrophobicContact CB-CG1 4.36Å; E440-V686 HydrophobicContact CG-CG1 3.92Å
441D72.2Confident68.8Low92 Ų9288 Ų8849%0.49244%0.439SS..  trans-54.7139.2166.9-72.3-43.9000110.5H89 P443H89-D441 IonicContact CD2-OD1 3.39Å; H89-D441 PolarHBondContact CD2-OD1 2.87Å; H89-D441 IonicContact CE1-OD1 2.66Å; H89-D441 IonicContact CE1-OD2 2.79Å; H89-D441 IonicContact NE2-OD1 3.59Å; H89-D441 PolarHBondContact NE2-OD1 3.4Å; H89-D441 IonicContact NE2-OD2 3.99Å; H89-D441 PolarHBondContact NE2-OD2 3.28Å; D441-P443 WeakPolarHBondContact O-CD 2.82Å; D441-P443 VanDerWaalsContact O-N 3.09Å
442Q71.4Confident71.6Confident145 Ų14587.3 Ų87.368%0.67843%0.428SS*.  trans-61.9115.4168.9-71.4-60.1-39.700108.1S444Q442-S444 PolarHBondContact O-N 3.45Å
443P79.8Confident74.3Confident27 Ų2777.2 Ų77.218%0.17538%0.384CS..  trans-69.6131.9-175.627.9-34.5000110.5D441 Y465D441-P443 WeakPolarHBondContact O-CD 2.82Å; D441-P443 VanDerWaalsContact O-N 3.09Å; P443-Y465 HydrophobicContact CB-CD1 3.65Å; P443-Y465 HydrophobicContact CB-CD2 3.8Å; P443-Y465 HydrophobicContact CB-CE1 4.12Å; P443-Y465 HydrophobicContact CB-CE2 4.22Å; P443-Y465 HydrophobicContact CB-CG 3.48Å; P443-Y465 VanDerWaalsContact CB-CG 3.48Å; P443-Y465 HydrophobicContact CG-CD1 3.41Å; P443-Y465 VanDerWaalsContact CG-CD1 3.41Å; P443-Y465 HydrophobicContact CG-CD2 3.59Å; P443-Y465 HydrophobicContact CG-CE1 3.32Å; P443-Y465 HydrophobicContact CG-CE2 3.48Å; P443-Y465 VanDerWaalsContact CG-CE2 3.48Å; P443-Y465 HydrophobicContact CG-CG 3.55Å
444S86.7Confident77.1Confident51 Ų5175.1 Ų75.136%0.35737%0.371SS..  trans-63145.4173.7176.90000111.2Q442 E446 Y465 D466Q442-S444 PolarHBondContact O-N 3.45Å; S444-E446 WeakPolarHBondContact OG-CG 3.41Å; S444-E446 PolarHBondContact OG-N 3.03Å; S444-Y465 CarbonylContact O-C 3.56Å; S444-Y465 VanDerWaalsContact O-CA 3.31Å; S444-Y465 WeakPolarHBondContact O-CA 3.43Å; S444-D466 VanDerWaalsContact CB-OD2 3.29Å; S444-D466 WeakPolarHBondContact CB-OD2 3.44Å; S444-D466 PolarHBondContact O-N 3.42Å; S444-D466 PolarHBondContact OG-OD2 3.06Å
445S90.7Very high79.8Confident34 Ų3468.2 Ų68.224%0.23835%0.354CS..  trans-127.617.6169.2540000112F447 A448 H449S445-F447 PolarHBondContact O-N 3.08Å; S445-F447 VanDerWaalsContact O-N 3.16Å; S445-A448 WeakPolarHBondContact O-CB 3.14Å; S445-A448 PolarHBondContact O-N 2.84Å; S445-A448 VanDerWaalsContact O-N 3.11Å; S445-H449 PolarHBondContact O-CD2 3.46Å; S445-H449 PolarHBondContact OG-NE2 3.11Å
446E91.8Very high82.6Confident149 Ų14960.7 Ų60.770%0.69631%0.314SS*.THydrogen-bonded Turntrans-55.6-34.3-174.2-71.6179.8176.400113.2S444 A448 H449 K450 D466S444-E446 WeakPolarHBondContact OG-CG 3.41Å; S444-E446 PolarHBondContact OG-N 3.03Å; E446-A448 VanDerWaalsContact C-N 3.26Å; E446-A448 PolarHBondContact O-N 2.94Å; E446-H449 PolarHBondContact O-N 3.45Å; E446-H449 VanDerWaalsContact O-N 3.14Å; E446-K450 PolarHBondContact O-N 2.79Å; E446-D466 PolarHBondContact N-OD1 2.76Å; E446-D466 PolarHBondContact N-OD2 2.9Å
447F90.9Very high85.1Confident35 Ų3558 Ų5815%0.15430%0.301CS..THydrogen-bonded Turntrans-64.4-34-178.2-162.1-86.5000112.2S445 H449 K450 N453 D466 R469 Y483S445-F447 PolarHBondContact O-N 3.08Å; S445-F447 VanDerWaalsContact O-N 3.16Å; F447-H449 VanDerWaalsContact C-N 3.32Å; F447-K450 HydrophobicContact CD2-CD 4.37Å; F447-K450 VanDerWaalsContact CE2-NZ 3.33Å; F447-N453 PolarHBondContact O-ND2 3.22Å; F447-D466 WeakPolarHBondContact CB-OD1 3.41Å; F447-D466 PolarHBondContact N-OD1 2.86Å; F447-R469 VanDerWaalsContact CE1-NH1 3.34Å; F447-Y483 AromaticContact CD1-CD2 3.84Å; F447-Y483 HydrophobicContact CD1-CD2 3.84Å; F447-Y483 HydrophobicContact CE1-CD2 4.13Å
448A93.6Very high87.1Confident3 Ų358.4 Ų58.43%0.02530%0.3CS..THydrogen-bonded Turntrans-70.5-28.3177.100000112.9S445 E446 K450 V463 Y483S445-A448 WeakPolarHBondContact O-CB 3.14Å; S445-A448 PolarHBondContact O-N 2.84Å; S445-A448 VanDerWaalsContact O-N 3.11Å; E446-A448 VanDerWaalsContact C-N 3.26Å; E446-A448 PolarHBondContact O-N 2.94Å; A448-K450 VanDerWaalsContact C-N 3.34Å; A448-V463 HydrophobicContact CB-CB 3.61Å; A448-V463 HydrophobicContact CB-CG1 3.91Å; A448-V463 HydrophobicContact CB-CG2 3.92Å; A448-Y483 HydrophobicContact CB-CE2 3.81Å; A448-Y483 VanDerWaalsContact CB-OH 3.23Å; A448-Y483 WeakPolarHBondContact CB-OH 3.35Å
449H93.7Very high88.5Confident61 Ų6160.6 Ų60.628%0.28230%0.304SS..THydrogen-bonded Turntrans-919.8-178.3-57.1-69.2000113.7S445 E446 F447 R460S445-H449 PolarHBondContact O-CD2 3.46Å; S445-H449 PolarHBondContact OG-NE2 3.11Å; E446-H449 PolarHBondContact O-N 3.45Å; E446-H449 VanDerWaalsContact O-N 3.14Å; F447-H449 VanDerWaalsContact C-N 3.32Å; H449-R460 PolarHBondContact CE1-O 3.33Å; H449-R460 VanDerWaalsContact CE1-O 3.25Å
450K93.6Very high89.4Confident84 Ų8467.9 Ų67.937%0.36533%0.331SS..SBendtrans-66.1141.1170.2-67.6-176.9177.5-1790109.6E446 F447 A448 F452 N453 E454E446-K450 PolarHBondContact O-N 2.79Å; F447-K450 HydrophobicContact CD2-CD 4.37Å; F447-K450 VanDerWaalsContact CE2-NZ 3.33Å; A448-K450 VanDerWaalsContact C-N 3.34Å; K450-F452 HydrophobicContact CB-CD1 4.4Å; K450-F452 HydrophobicContact CB-CE1 4.06Å; K450-F452 HydrophobicContact CB-CE2 4.35Å; K450-F452 HydrophobicContact CB-CZ 4.05Å; K450-F452 HydrophobicContact CD-CE1 4.03Å; K450-F452 HydrophobicContact CD-CE2 4.23Å; K450-F452 HydrophobicContact CD-CZ 3.54Å; K450-F452 HydrophobicContact CG-CZ 4.43Å; K450-F452 PolarHBondContact O-N 3.16Å; K450-F452 VanDerWaalsContact O-N 3.08Å; K450-N453 HydrophobicContact CB-CB 4.35Å; K450-N453 WeakPolarHBondContact O-CA 3.33Å; K450-N453 PolarHBondContact O-N 3.49Å; K450-E454 WeakPolarHBondContact O-CG 3.47Å; K450-E454 PolarHBondContact O-N 3.23Å; K450-E454 VanDerWaalsContact O-N 3.07Å
451E92.4Very high90.2Very high179 Ų17970.3 Ų70.384%0.83635%0.35SS*.Hα-helixtrans-47.8-43.7-175.7-172.5177.3-178.900113.4N453E451-N453 VanDerWaalsContact C-N 3.35Å; E451-N453 PolarHBondContact O-N 3.14Å
452F91.6Very high91.2Very high80 Ų8066.8 Ų66.835%0.35133%0.331SS..Hα-helixtrans-77.5-12.5179.357.3-100.6000114.9K450 E479 D480K450-F452 HydrophobicContact CB-CD1 4.4Å; K450-F452 HydrophobicContact CB-CE1 4.06Å; K450-F452 HydrophobicContact CB-CE2 4.35Å; K450-F452 HydrophobicContact CB-CZ 4.05Å; K450-F452 HydrophobicContact CD-CE1 4.03Å; K450-F452 HydrophobicContact CD-CE2 4.23Å; K450-F452 HydrophobicContact CD-CZ 3.54Å; K450-F452 HydrophobicContact CG-CZ 4.43Å; K450-F452 PolarHBondContact O-N 3.16Å; K450-F452 VanDerWaalsContact O-N 3.08Å; F452-E479 WeakPolarHBondContact CE2-O 3.38Å; F452-D480 HydrophobicContact CB-CB 4.46Å; F452-D480 HydrophobicContact CD2-CB 3.92Å; F452-D480 WeakPolarHBondContact O-CB 3.3Å
453N95.1Very high92.3Very high0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-101.4-22.4179.3-72.4-22.6000113.3F447 K450 E451 A455 K456 Y483F447-N453 PolarHBondContact O-ND2 3.22Å; K450-N453 HydrophobicContact CB-CB 4.35Å; K450-N453 WeakPolarHBondContact O-CA 3.33Å; K450-N453 PolarHBondContact O-N 3.49Å; E451-N453 VanDerWaalsContact C-N 3.35Å; E451-N453 PolarHBondContact O-N 3.14Å; N453-A455 PolarHBondContact O-N 2.79Å; N453-K456 WeakPolarHBondContact O-CB 3.42Å; N453-K456 PolarHBondContact O-N 3.38Å; N453-Y483 HydrophobicContact CB-CD1 3.58Å; N453-Y483 HydrophobicContact CB-CE1 3.94Å; N453-Y483 HydrophobicContact CB-CG 3.91Å; N453-Y483 VanDerWaalsContact CG-CG 3.48Å; N453-Y483 WeakPolarHBondContact OD1-CB 3.13Å
454E93.1Very high93.1Very high74 Ų7458.8 Ų58.835%0.34629%0.292SS..Hα-helixtrans-55.5-39.9-174.6-66.5-162.7164.100112.1K450 K456 S457 R460K450-E454 WeakPolarHBondContact O-CG 3.47Å; K450-E454 PolarHBondContact O-N 3.23Å; K450-E454 VanDerWaalsContact O-N 3.07Å; E454-K456 PolarHBondContact O-N 2.86Å; E454-K456 VanDerWaalsContact O-N 3.16Å; E454-S457 PolarHBondContact O-N 3.21Å; E454-S457 VanDerWaalsContact O-N 3.16Å; E454-R460 IonicContact OE1-CZ 3.72Å; E454-R460 IonicContact OE1-NH1 3.82Å; E454-R460 PolarHBondContact OE1-NH1 2.58Å; E454-R460 IonicContact OE1-NH2 2.74Å; E454-R460 PolarHBondContact OE1-NH2 2.97Å; E454-R460 IonicContact OE2-NH1 3.7Å; E454-R460 PolarHBondContact OE2-NH1 3.41Å
455A94.8Very high93.4Very high70 Ų7057.9 Ų57.958%0.57928%0.281SS*.THydrogen-bonded Turntrans-67.5-1217900000114.3N453 M503 N505N453-A455 PolarHBondContact O-N 2.79Å; A455-M503 WeakPolarHBondContact O-CE 3.14Å; A455-N505 PolarHBondContact O-ND2 3.4Å
456K96.4Very high93.4Very high9 Ų958.4 Ų58.44%0.03928%0.281CS..THydrogen-bonded Turntrans-92.22.6176.4-65.7-167.7174.1-177.90113.1N453 E454 D480 Y483 Q500 M503 T506 D509N453-K456 WeakPolarHBondContact O-CB 3.42Å; N453-K456 PolarHBondContact O-N 3.38Å; E454-K456 PolarHBondContact O-N 2.86Å; E454-K456 VanDerWaalsContact O-N 3.16Å; K456-D480 WeakPolarHBondContact CE-OD2 3.35Å; K456-D480 VanDerWaalsContact NZ-CG 3.31Å; K456-D480 PolarHBondContact NZ-O 3.35Å; K456-D480 IonicContact NZ-OD1 3.28Å; K456-D480 IonicContact NZ-OD2 2.75Å; K456-D480 PolarHBondContact NZ-OD2 3.3Å; K456-Y483 HydrophobicContact CB-CD1 3.75Å; K456-Y483 HydrophobicContact CB-CE1 3.76Å; K456-Y483 HydrophobicContact CD-CD1 4.03Å; K456-Y483 HydrophobicContact CG-CD1 4.42Å; K456-Q500 PolarHBondContact O-NE2 3.48Å; K456-M503 WeakPolarHBondContact O-CE 3.19Å; K456-T506 HydrophobicContact CB-CG2 3.88Å; K456-T506 HydrophobicContact CG-CG2 4Å; K456-D509 VanDerWaalsContact CE-OD2 3.27Å; K456-D509 WeakPolarHBondContact CE-OD2 3.32Å; K456-D509 IonicContact NZ-OD1 3.39Å; K456-D509 IonicContact NZ-OD2 2.66Å; K456-D509 PolarHBondContact NZ-OD2 3.32Å
457S96Very high93.1Very high18 Ų1857.6 Ų57.613%0.12627%0.271CS..  trans-115.5128.3175.8-69.60000111.2E454 Y483E454-S457 PolarHBondContact O-N 3.21Å; E454-S457 VanDerWaalsContact O-N 3.16Å; S457-Y483 PolarHBondContact OG-OH 3.38Å
458R94.6Very high93.1Very high46 Ų4657 Ų5717%0.17427%0.27CS..SBendtrans-66.7-40.4177.6-173-178-61-77.92.2112D501 M503 E535 R650R458-D501 PolarHBondContact NH2-O 2.87Å; R458-M503 HydrophobicContact CB-SD 3.81Å; R458-M503 HydrophobicContact CG-SD 4.35Å; R458-E535 IonicContact CZ-OE1 3.63Å; R458-E535 IonicContact NH1-OE1 2.77Å; R458-E535 PolarHBondContact NH1-OE1 3.2Å; R458-E535 IonicContact NH2-OE1 2.75Å; R458-E535 PolarHBondContact NH2-OE1 2.91Å; R458-R650 VanDerWaalsContact CD-O 3.28Å; R458-R650 WeakPolarHBondContact CD-O 3.27Å; R458-R650 PolarHBondContact NE-O 3.45Å; R458-R650 VanDerWaalsContact NE-O 3.15Å; R458-R650 VanDerWaalsContact NH1-CZ 3.28Å
459Y94.2Very high93.2Very high95 Ų9558.6 Ų58.637%0.37328%0.275SS..  trans-124124.6178.5-56.5-77.2000109.8S461 I462 D651Y459-S461 PolarHBondContact O-N 2.87Å; Y459-I462 HydrophobicContact CD2-CD1 4.26Å; Y459-I462 HydrophobicContact CG-CD1 4.37Å; Y459-I462 PolarHBondContact O-N 2.86Å; Y459-I462 VanDerWaalsContact O-N 3.13Å; Y459-D651 HydrophobicContact CD2-CB 3.78Å; Y459-D651 HydrophobicContact CE2-CB 3.7Å
460R92.4Very high93.3Very high155 Ų15555.7 Ų55.759%0.58526%0.262SS*.THydrogen-bonded Turntrans-58-32.7177.6-169.6-178.6-176.498.113.1112.2H449 E454H449-R460 PolarHBondContact CE1-O 3.33Å; H449-R460 VanDerWaalsContact CE1-O 3.25Å; E454-R460 IonicContact OE1-CZ 3.72Å; E454-R460 IonicContact OE1-NH1 3.82Å; E454-R460 PolarHBondContact OE1-NH1 2.58Å; E454-R460 IonicContact OE1-NH2 2.74Å; E454-R460 PolarHBondContact OE1-NH2 2.97Å; E454-R460 IonicContact OE2-NH1 3.7Å; E454-R460 PolarHBondContact OE2-NH1 3.41Å
461S88.6Confident93.3Very high69 Ų6956 Ų5648%0.48327%0.267SS..THydrogen-bonded Turntrans-80.6-19.9-179.649.90000114.4Y459 Y690Y459-S461 PolarHBondContact O-N 2.87Å; S461-Y690 WeakPolarHBondContact O-CE2 3.5Å
462I93.1Very high93.4Very high18 Ų1847.6 Ų47.69%0.09223%0.227CC..SBendtrans-116.285-171.1-47.7-179.5000109.1Y459 N485 D651 S653 Y690Y459-I462 HydrophobicContact CD2-CD1 4.26Å; Y459-I462 HydrophobicContact CG-CD1 4.37Å; Y459-I462 PolarHBondContact O-N 2.86Å; Y459-I462 VanDerWaalsContact O-N 3.13Å; I462-N485 PolarHBondContact O-ND2 3.4Å; I462-D651 HydrophobicContact CD1-CB 3.71Å; I462-D651 HydrophobicContact CG2-CB 4.25Å; I462-D651 WeakPolarHBondContact CG2-O 3.49Å; I462-S653 VanDerWaalsContact CG2-OG 3.29Å; I462-S653 WeakPolarHBondContact CG2-OG 3.44Å; I462-Y690 HydrophobicContact CB-CD2 4.43Å; I462-Y690 HydrophobicContact CD1-CD2 4.35Å; I462-Y690 HydrophobicContact CD1-CG 4.45Å; I462-Y690 HydrophobicContact CG1-CD2 3.74Å; I462-Y690 HydrophobicContact CG1-CE2 3.9Å; I462-Y690 HydrophobicContact CG1-CG 4.32Å; I462-Y690 HydrophobicContact CG2-CD2 4.37Å
463V95.6Very high93.4Very high4 Ų445.9 Ų45.92%0.02423%0.228CC..  trans-133.3158.3-173.1-67.90000110.2A448A448-V463 HydrophobicContact CB-CB 3.61Å; A448-V463 HydrophobicContact CB-CG1 3.91Å; A448-V463 HydrophobicContact CB-CG2 3.92Å
464P96Very high93.2Very high1 Ų151.1 Ų51.11%0.00626%0.262CS..BIsolated β-bridgetrans-68.3146.1177.331.3-37.2000110.5R469 Y483 N485 A486 S487P464-R469 HydrophobicContact CB-CB 3.83Å; P464-R469 HydrophobicContact CG-CB 3.9Å; P464-Y483 HydrophobicContact CG-CE2 4.11Å; P464-N485 VanDerWaalsContact CD-OD1 3.27Å; P464-N485 WeakPolarHBondContact CD-OD1 3.29Å; P464-A486 WeakPolarHBondContact CB-O 3.02Å; P464-S487 WeakPolarHBondContact CA-OG 3.43Å; P464-S487 VanDerWaalsContact CB-OG 3.29Å; P464-S487 WeakPolarHBondContact CB-OG 3.25Å
465Y92.8Very high93Very high32 Ų3248.6 Ų48.613%0.12525%0.251CS..  trans-66.7143.2164.2-57.6-41.7000110.2P443 S444 R467 N468 R469 Q685 V686 Q687 S689P443-Y465 HydrophobicContact CB-CD1 3.65Å; P443-Y465 HydrophobicContact CB-CD2 3.8Å; P443-Y465 HydrophobicContact CB-CE1 4.12Å; P443-Y465 HydrophobicContact CB-CE2 4.22Å; P443-Y465 HydrophobicContact CB-CG 3.48Å; P443-Y465 VanDerWaalsContact CB-CG 3.48Å; P443-Y465 HydrophobicContact CG-CD1 3.41Å; P443-Y465 VanDerWaalsContact CG-CD1 3.41Å; P443-Y465 HydrophobicContact CG-CD2 3.59Å; P443-Y465 HydrophobicContact CG-CE1 3.32Å; P443-Y465 HydrophobicContact CG-CE2 3.48Å; P443-Y465 VanDerWaalsContact CG-CE2 3.48Å; P443-Y465 HydrophobicContact CG-CG 3.55Å; S444-Y465 CarbonylContact O-C 3.56Å; S444-Y465 VanDerWaalsContact O-CA 3.31Å; S444-Y465 WeakPolarHBondContact O-CA 3.43Å; Y465-R467 PolarHBondContact O-N 2.75Å; Y465-R467 VanDerWaalsContact O-N 3.08Å; Y465-N468 CarbonylContact O-C 3.37Å; Y465-N468 PolarHBondContact O-N 2.82Å; Y465-R469 PolarHBondContact O-N 2.89Å; Y465-Q685 WeakPolarHBondContact CE2-O 3.4Å; Y465-Q685 PolarHBondContact OH-O 3.46Å; Y465-V686 WeakPolarHBondContact CD2-O 2.96Å; Y465-V686 WeakPolarHBondContact CE2-O 3.2Å; Y465-Q687 VanDerWaalsContact CD2-C 3.47Å; Y465-Q687 WeakPolarHBondContact CD2-O 3.28Å; Y465-S689 WeakPolarHBondContact OH-CA 3.17Å; Y465-S689 PolarHBondContact OH-N 2.91Å
466D90.5Very high92.4Very high44 Ų4455.5 Ų55.524%0.23527%0.268CS..THydrogen-bonded Turntrans-56.2-33.6-175.1-69.2-21.3000112.6S444 E446 F447 R469S444-D466 VanDerWaalsContact CB-OD2 3.29Å; S444-D466 WeakPolarHBondContact CB-OD2 3.44Å; S444-D466 PolarHBondContact O-N 3.42Å; S444-D466 PolarHBondContact OG-OD2 3.06Å; E446-D466 PolarHBondContact N-OD1 2.76Å; E446-D466 PolarHBondContact N-OD2 2.9Å; F447-D466 WeakPolarHBondContact CB-OD1 3.41Å; F447-D466 PolarHBondContact N-OD1 2.86Å; D466-R469 WeakPolarHBondContact O-CG 3Å
467R86.5Confident91.8Very high132 Ų13258.6 Ų58.650%0.49830%0.302SS..THydrogen-bonded Turntrans-76.1-27.3178.474.5-174.3178.9-177.4-4.5113.8Y465 V686Y465-R467 PolarHBondContact O-N 2.75Å; Y465-R467 VanDerWaalsContact O-N 3.08Å; R467-V686 PolarHBondContact NH2-O 3.32Å
468N91.2Very high91.2Very high22 Ų2262 Ų6212%0.11832%0.316CS..THydrogen-bonded Turntrans-101.5-11-177.6-70.393.9000112.8Y465 S487 F488 Q687Y465-N468 CarbonylContact O-C 3.37Å; Y465-N468 PolarHBondContact O-N 2.82Å; N468-S487 CarbonylContact O-C 3.58Å; N468-S487 WeakPolarHBondContact O-CA 3.49Å; N468-F488 PolarHBondContact ND2-O 2.83Å; N468-F488 PolarHBondContact O-N 3.04Å; N468-Q687 VanDerWaalsContact CB-O 3.28Å; N468-Q687 WeakPolarHBondContact CB-O 3.47Å; N468-Q687 VanDerWaalsContact CG-O 3.3Å
469R94.5Very high90.5Very high37 Ų3767.1 Ų67.114%0.1434%0.342CS..EExtended strand (participates in β ladder)trans-60.1143.9-173.776.5-173.4176.790.2-1.7112.5F447 P464 Y465 D466 I471 A486F447-R469 VanDerWaalsContact CE1-NH1 3.34Å; P464-R469 HydrophobicContact CB-CB 3.83Å; P464-R469 HydrophobicContact CG-CB 3.9Å; Y465-R469 PolarHBondContact O-N 2.89Å; D466-R469 WeakPolarHBondContact O-CG 3Å; R469-I471 HydrophobicContact CG-CG1 4.13Å; R469-A486 WeakPolarHBondContact CA-O 3.18Å
470V95.9Very high90.2Very high0 Ų064.8 Ų64.80%034%0.336CS..EExtended strand (participates in β ladder)trans-74.2126.9166.5-175.30000108.6I484 A486 F488 I497 M513 Q517V470-I484 HydrophobicContact CB-CG2 4.08Å; V470-I484 HydrophobicContact CG1-CG2 4.4Å; V470-A486 HydrophobicContact CB-CB 4.13Å; V470-A486 HydrophobicContact CG2-CB 3.78Å; V470-A486 PolarHBondContact N-O 2.89Å; V470-F488 HydrophobicContact CB-CE2 4.06Å; V470-F488 HydrophobicContact CB-CZ 4.36Å; V470-F488 HydrophobicContact CG1-CE2 4.09Å; V470-F488 HydrophobicContact CG1-CZ 3.99Å; V470-F488 HydrophobicContact CG2-CD1 4.36Å; V470-F488 HydrophobicContact CG2-CD2 3.89Å; V470-F488 HydrophobicContact CG2-CE1 4.23Å; V470-F488 HydrophobicContact CG2-CE2 3.76Å; V470-F488 HydrophobicContact CG2-CG 4.2Å; V470-F488 HydrophobicContact CG2-CZ 3.93Å; V470-I497 HydrophobicContact CG2-CD1 4.12Å; V470-I497 HydrophobicContact CG2-CG1 4.14Å; V470-I497 HydrophobicContact CG2-CG2 3.97Å; V470-M513 HydrophobicContact CB-SD 4.18Å; V470-M513 HydrophobicContact CG1-CG 3.9Å; V470-M513 HydrophobicContact CG1-SD 3.98Å; V470-M513 HydrophobicContact CG2-SD 4.1Å; V470-Q517 HydrophobicContact CG1-CG 4.31Å
471I94.8Very high90Very high92 Ų9257.4 Ų57.447%0.47231%0.309SS..EExtended strand (participates in β ladder)trans-104113.6179.1-47.1-173.6000107.7R469R469-I471 HydrophobicContact CG-CG1 4.13Å
472L94.2Very high90.2Very high1 Ų155.7 Ų55.71%0.00530%0.295CS..PPolyproline II helixtrans-79.4153.8175.1-62.4-178.7000111A481 T482 I484 D509 M513 E516L472-A481 WeakPolarHBondContact CB-O 3.41Å; L472-T482 PolarHBondContact N-O 2.92Å; L472-T482 VanDerWaalsContact N-O 3.16Å; L472-T482 WeakPolarHBondContact O-CA 3.39Å; L472-I484 HydrophobicContact CD1-CB 4.03Å; L472-I484 HydrophobicContact CD1-CG2 4.06Å; L472-I484 HydrophobicContact CD2-CG2 4.31Å; L472-I484 HydrophobicContact CG-CB 4.45Å; L472-I484 HydrophobicContact CG-CG2 3.94Å; L472-D509 HydrophobicContact CD1-CB 3.74Å; L472-M513 HydrophobicContact CD2-CB 3.8Å; L472-M513 HydrophobicContact CD2-CG 4.33Å; L472-E516 VanDerWaalsContact CA-OE2 3.31Å; L472-E516 WeakPolarHBondContact CA-OE2 3.2Å
473A91Very high90.4Very high45 Ų4554.8 Ų54.837%0.37229%0.291SS..PPolyproline II helixtrans-56.9137.4175.200000110.8R512 E516A473-R512 PolarHBondContact O-NH2 2.7Å; A473-E516 PolarHBondContact N-OE2 3Å
474P90.6Very high90.5Very high109 Ų10954.9 Ų54.971%0.70829%0.291SS*.PPolyproline II helixtrans-64.614317826.4-33.6000111.1T482P474-T482 HydrophobicContact CB-CG2 3.94Å
475L88.5Confident90.6Very high21 Ų2154.8 Ų54.811%0.1129%0.29CS..BIsolated β-bridgetrans-113.8135.5172.4-59.6172.5000109.4G477 H478 A481 W508L475-G477 PolarHBondContact O-N 2.78Å; L475-H478 HydrophobicContact CB-CB 4.15Å; L475-H478 PolarHBondContact O-N 3.3Å; L475-H478 VanDerWaalsContact O-N 3.16Å; L475-A481 HydrophobicContact CB-CB 3.69Å; L475-A481 HydrophobicContact CD1-CB 3.91Å; L475-A481 HydrophobicContact CG-CB 3.84Å; L475-W508 HydrophobicContact CD1-CH2 3.38Å; L475-W508 HydrophobicContact CD1-CZ2 3.86Å; L475-W508 HydrophobicContact CD1-CZ3 3.89Å
476F83.2Confident90.8Very high215 Ų21553.3 Ų53.394%0.94328%0.284SS*.THydrogen-bonded Turntrans-63.2124.2-178.8-170.1-95.2000110.4
477G82.8Confident91.1Very high74 Ų7451.2 Ų51.276%0.76327%0.273SS*.THydrogen-bonded Turntrans85.22.5-178.800000115.8L475L475-G477 PolarHBondContact O-N 2.78Å
478H83.8Confident91.5Very high90 Ų9047.6 Ų47.642%0.41726%0.261SS..BIsolated β-bridgetrans-120.7101.2178.3-64.9-92.6000110.7L475 D480 A481L475-H478 HydrophobicContact CB-CB 4.15Å; L475-H478 PolarHBondContact O-N 3.3Å; L475-H478 VanDerWaalsContact O-N 3.16Å; H478-D480 VanDerWaalsContact C-N 3.27Å; H478-D480 PolarHBondContact O-N 3.35Å; H478-A481 HydrophobicContact CB-CB 3.51Å; H478-A481 WeakPolarHBondContact O-CB 3.22Å; H478-A481 PolarHBondContact O-N 2.9Å
479E81.1Confident91.6Very high154 Ų15446.6 Ų46.672%0.7226%0.256SS*.THydrogen-bonded Turntrans-67.9-28.9-177.5-61.6-172.416400112.9F452F452-E479 WeakPolarHBondContact CE2-O 3.38Å
480D86.7Confident91Very high45 Ų4548.6 Ų48.624%0.24126%0.264CS..THydrogen-bonded Turntrans-87.6-3.4178.866.6-29.2000113.6F452 K456 H478 T482 Y483F452-D480 HydrophobicContact CB-CB 4.46Å; F452-D480 HydrophobicContact CD2-CB 3.92Å; F452-D480 WeakPolarHBondContact O-CB 3.3Å; K456-D480 WeakPolarHBondContact CE-OD2 3.35Å; K456-D480 VanDerWaalsContact NZ-CG 3.31Å; K456-D480 PolarHBondContact NZ-O 3.35Å; K456-D480 IonicContact NZ-OD1 3.28Å; K456-D480 IonicContact NZ-OD2 2.75Å; K456-D480 PolarHBondContact NZ-OD2 3.3Å; H478-D480 VanDerWaalsContact C-N 3.27Å; H478-D480 PolarHBondContact O-N 3.35Å; D480-T482 PolarHBondContact O-N 3.23Å; D480-T482 VanDerWaalsContact O-N 3.12Å; D480-Y483 PolarHBondContact O-N 3.38Å; D480-Y483 VanDerWaalsContact O-N 3.15Å
481A88.9Confident90.5Very high1 Ų148.9 Ų48.91%0.00827%0.266CS..THydrogen-bonded Turntrans-68.2-13.7-171.300000115L472 L475 H478 R512L472-A481 WeakPolarHBondContact CB-O 3.41Å; L475-A481 HydrophobicContact CB-CB 3.69Å; L475-A481 HydrophobicContact CD1-CB 3.91Å; L475-A481 HydrophobicContact CG-CB 3.84Å; H478-A481 HydrophobicContact CB-CB 3.51Å; H478-A481 WeakPolarHBondContact O-CB 3.22Å; H478-A481 PolarHBondContact O-N 2.9Å; A481-R512 PolarHBondContact O-NH1 3.25Å
482T93.6Very high89.9Confident32 Ų3245.1 Ų45.120%0.19625%0.246CC..THydrogen-bonded Turntrans-92.1-5.1178.564.70000113.2L472 P474 D480L472-T482 PolarHBondContact N-O 2.92Å; L472-T482 VanDerWaalsContact N-O 3.16Å; L472-T482 WeakPolarHBondContact O-CA 3.39Å; P474-T482 HydrophobicContact CB-CG2 3.94Å; D480-T482 PolarHBondContact O-N 3.23Å; D480-T482 VanDerWaalsContact O-N 3.12Å
483Y96Very high89.1Confident0 Ų050.6 Ų50.60%027%0.27CS..EExtended strand (participates in β ladder)trans-107.5135.8-175.9-177.7-108.3000112.3F447 A448 N453 K456 S457 P464 D480F447-Y483 AromaticContact CD1-CD2 3.84Å; F447-Y483 HydrophobicContact CD1-CD2 3.84Å; F447-Y483 HydrophobicContact CE1-CD2 4.13Å; A448-Y483 HydrophobicContact CB-CE2 3.81Å; A448-Y483 VanDerWaalsContact CB-OH 3.23Å; A448-Y483 WeakPolarHBondContact CB-OH 3.35Å; N453-Y483 HydrophobicContact CB-CD1 3.58Å; N453-Y483 HydrophobicContact CB-CE1 3.94Å; N453-Y483 HydrophobicContact CB-CG 3.91Å; N453-Y483 VanDerWaalsContact CG-CG 3.48Å; N453-Y483 WeakPolarHBondContact OD1-CB 3.13Å; K456-Y483 HydrophobicContact CB-CD1 3.75Å; K456-Y483 HydrophobicContact CB-CE1 3.76Å; K456-Y483 HydrophobicContact CD-CD1 4.03Å; K456-Y483 HydrophobicContact CG-CD1 4.42Å; S457-Y483 PolarHBondContact OG-OH 3.38Å; P464-Y483 HydrophobicContact CG-CE2 4.11Å; D480-Y483 PolarHBondContact O-N 3.38Å; D480-Y483 VanDerWaalsContact O-N 3.15Å
484I97.7Very high88.7Confident5 Ų549.9 Ų49.93%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-144.4144.5164.3-176.9167.9000107.4V470 L472 A486 D509 F510 M513V470-I484 HydrophobicContact CB-CG2 4.08Å; V470-I484 HydrophobicContact CG1-CG2 4.4Å; L472-I484 HydrophobicContact CD1-CB 4.03Å; L472-I484 HydrophobicContact CD1-CG2 4.06Å; L472-I484 HydrophobicContact CD2-CG2 4.31Å; L472-I484 HydrophobicContact CG-CB 4.45Å; L472-I484 HydrophobicContact CG-CG2 3.94Å; I484-A486 HydrophobicContact CG1-CB 4.38Å; I484-A486 HydrophobicContact CG2-CB 4.05Å; I484-A486 PolarHBondContact O-N 2.64Å; I484-D509 HydrophobicContact CD1-CB 4.2Å; I484-F510 HydrophobicContact CD1-CB 4.44Å; I484-M513 HydrophobicContact CD1-CB 4.17Å; I484-M513 HydrophobicContact CD1-CE 4.11Å; I484-M513 HydrophobicContact CD1-SD 3.96Å; I484-M513 HydrophobicContact CG2-SD 4.15Å
485N97.9Very high88.6Confident0 Ų052.6 Ų52.60%026%0.258CS..EExtended strand (participates in β ladder)trans-74.272.8174.4-175.4-12.6000110.7I462 P464 T499 Q500 R688I462-N485 PolarHBondContact O-ND2 3.4Å; P464-N485 VanDerWaalsContact CD-OD1 3.27Å; P464-N485 WeakPolarHBondContact CD-OD1 3.29Å; N485-T499 WeakPolarHBondContact O-CA 3.44Å; N485-T499 PolarHBondContact O-OG1 2.91Å; N485-Q500 HydrophobicContact CB-CG 4.16Å; N485-Q500 PolarHBondContact ND2-OE1 2.79Å; N485-Q500 PolarHBondContact O-N 2.88Å; N485-R688 PolarHBondContact OD1-NH1 3.07Å; N485-R688 PolarHBondContact OD1-NH2 2.96Å
486A98.3Very high89Confident0 Ų051.7 Ų51.70%025%0.253CS..EExtended strand (participates in β ladder)trans-142.1140.5178.600000110.9P464 R469 V470 I484 I497 L498 M513P464-A486 WeakPolarHBondContact CB-O 3.02Å; R469-A486 WeakPolarHBondContact CA-O 3.18Å; V470-A486 HydrophobicContact CB-CB 4.13Å; V470-A486 HydrophobicContact CG2-CB 3.78Å; V470-A486 PolarHBondContact N-O 2.89Å; I484-A486 HydrophobicContact CG1-CB 4.38Å; I484-A486 HydrophobicContact CG2-CB 4.05Å; I484-A486 PolarHBondContact O-N 2.64Å; A486-I497 HydrophobicContact CB-CG2 3.84Å; A486-L498 CarbonylContact C-O 3.59Å; A486-L498 VanDerWaalsContact CA-O 3.25Å; A486-L498 WeakPolarHBondContact CA-O 3.39Å; A486-M513 HydrophobicContact CB-CE 4.26Å; A486-M513 HydrophobicContact CB-SD 3.54Å; A486-M513 VanDerWaalsContact CB-SD 3.54Å
487S96.8Very high89.7Confident0 Ų041.4 Ų41.40%021%0.208CC..EExtended strand (participates in β ladder)trans-115.2132.7176.9-580000110.5P464 N468 V489 I497 L498 R688P464-S487 WeakPolarHBondContact CA-OG 3.43Å; P464-S487 VanDerWaalsContact CB-OG 3.29Å; P464-S487 WeakPolarHBondContact CB-OG 3.25Å; N468-S487 CarbonylContact O-C 3.58Å; N468-S487 WeakPolarHBondContact O-CA 3.49Å; S487-V489 PolarHBondContact O-N 2.64Å; S487-I497 CarbonylContact O-C 3.4Å; S487-I497 WeakPolarHBondContact O-CA 3.44Å; S487-L498 PolarHBondContact N-O 3.22Å; S487-L498 PolarHBondContact O-N 3.48Å; S487-R688 PolarHBondContact OG-NH1 2.62Å
488F95Very high90.5Very high56 Ų5637.9 Ų37.925%0.24617%0.172CC..EExtended strand (participates in β ladder)trans-65.9124.5158.5-71-69.5000109.3N468 V470 I497 Q517 P644N468-F488 PolarHBondContact ND2-O 2.83Å; N468-F488 PolarHBondContact O-N 3.04Å; V470-F488 HydrophobicContact CB-CE2 4.06Å; V470-F488 HydrophobicContact CB-CZ 4.36Å; V470-F488 HydrophobicContact CG1-CE2 4.09Å; V470-F488 HydrophobicContact CG1-CZ 3.99Å; V470-F488 HydrophobicContact CG2-CD1 4.36Å; V470-F488 HydrophobicContact CG2-CD2 3.89Å; V470-F488 HydrophobicContact CG2-CE1 4.23Å; V470-F488 HydrophobicContact CG2-CE2 3.76Å; V470-F488 HydrophobicContact CG2-CG 4.2Å; V470-F488 HydrophobicContact CG2-CZ 3.93Å; F488-I497 HydrophobicContact CD1-CD1 4.22Å; F488-I497 HydrophobicContact CD1-CG1 3.71Å; F488-I497 HydrophobicContact CE1-CD1 3.75Å; F488-I497 HydrophobicContact CE1-CG1 3.78Å; F488-I497 HydrophobicContact CZ-CD1 4.47Å; F488-Q517 HydrophobicContact CZ-CG 4.4Å; F488-P644 HydrophobicContact CE1-CG 4.45Å
489V92.5Very high91.2Very high2 Ų233.8 Ų33.81%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-124.2140.3176.81770000108.9S487 Y496 L498 L684 Q687S487-V489 PolarHBondContact O-N 2.64Å; V489-Y496 PolarHBondContact N-O 3Å; V489-Y496 PolarHBondContact O-N 2.82Å; V489-Y496 VanDerWaalsContact O-O 3.07Å; V489-L498 HydrophobicContact CB-CD1 4.35Å; V489-L498 HydrophobicContact CB-CG 4.09Å; V489-L498 HydrophobicContact CG1-CD1 4.45Å; V489-L498 HydrophobicContact CG2-CB 4.35Å; V489-L498 HydrophobicContact CG2-CD1 3.79Å; V489-L498 HydrophobicContact CG2-CG 3.68Å; V489-L684 HydrophobicContact CG1-CD2 3.31Å; V489-Q687 VanDerWaalsContact CA-OE1 3.24Å; V489-Q687 HydrophobicContact CG2-CB 4.24Å
490R82.9Confident91.9Very high79 Ų7926.6 Ų26.630%0.29812%0.119SC..EExtended strand (participates in β ladder)trans-75.7126.7-178.9-172.1170.2-175.7177.3-2.9110.1C250 D251C250-R490 PolarHBondContact O-NH2 2.77Å; D251-R490 IonicContact OD1-CZ 2.62Å; D251-R490 IonicContact OD1-NH1 2.86Å; D251-R490 PolarHBondContact OD1-NH1 3.38Å; D251-R490 IonicContact OD1-NH2 3.34Å; D251-R490 PolarHBondContact OD1-NH2 3.13Å
491G84.3Confident92.4Very high5 Ų524.5 Ų24.55%0.05211%0.108CC..  trans-100.3-177.3163.500000111.7C494 L664G491-C494 CarbonylContact C-O 3.43Å; G491-C494 WeakPolarHBondContact CA-O 3.47Å; G491-C494 PolarHBondContact N-O 2.74Å; G491-L664 VanDerWaalsContact C-CD2 3.48Å
492Y82.2Confident92.8Very high14 Ų1424.5 Ų24.56%0.05511%0.108CC..SBendtrans-75.9-49.1-175.7-166.7-79.6000111.4C250 D667 R668 R671 E672C250-Y492 HydrophobicContact CB-CD1 4.45Å; C250-Y492 HydrophobicContact CB-CD2 3.84Å; C250-Y492 HydrophobicContact CB-CE1 4.49Å; C250-Y492 HydrophobicContact CB-CE2 3.86Å; C250-Y492 HydrophobicContact CB-CG 4.14Å; Y492-D667 HydrophobicContact CD1-CB 4.37Å; Y492-D667 HydrophobicContact CD2-CB 4.34Å; Y492-D667 HydrophobicContact CG-CB 3.93Å; Y492-R668 HydrophobicContact CD2-CB 4.2Å; Y492-R668 HydrophobicContact CE2-CB 3.95Å; Y492-R668 HydrophobicContact CE2-CG 4.12Å; Y492-R671 HydrophobicContact CE1-CB 4.43Å; Y492-R671 HydrophobicContact CE1-CG 4.22Å; Y492-E672 PolarHBondContact OH-OE1 3.3Å; Y492-E672 VanDerWaalsContact OH-OE1 3.09Å
493F78.2Confident93Very high116 Ų11624 Ų2451%0.50910%0.104SC..SBendtrans-111.3-36.3178.1-66.2-64.1000113.6R671F493-R671 HydrophobicContact CE2-CG 4.26Å; F493-R671 HydrophobicContact CZ-CG 3.86Å
494C82.2Confident92.9Very high29 Ų2932.3 Ų32.320%0.19614%0.14CC..SBendtrans-120.3159.1179.257.30000109.4G491 Q636 I645G491-C494 CarbonylContact C-O 3.43Å; G491-C494 WeakPolarHBondContact CA-O 3.47Å; G491-C494 PolarHBondContact N-O 2.74Å; C494-Q636 HydrophobicContact CB-CG 4.12Å; C494-I645 WeakPolarHBondContact SG-CD1 3.37Å
495R88.8Confident92.8Very high166 Ų16636.1 Ų36.163%0.62616%0.161SC*.EExtended strand (participates in β ladder)trans-81.6154.1173.9-70.1179.8-175.2154.11.3110.1P644 I645R495-P644 HydrophobicContact CB-CB 3.97Å; R495-P644 CarbonylContact O-C 3.58Å; R495-P644 WeakPolarHBondContact O-CA 3.32Å; R495-P644 WeakPolarHBondContact O-CB 3.49Å; R495-I645 PolarHBondContact O-N 3.38Å
496Y96.1Very high92.7Very high2 Ų236.3 Ų36.31%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-105.4153.6167.6-59.2-64.9000110.1V489 I645 I647 C660 S663 L664V489-Y496 PolarHBondContact N-O 3Å; V489-Y496 PolarHBondContact O-N 2.82Å; V489-Y496 VanDerWaalsContact O-O 3.07Å; Y496-I645 CarbonylContact C-O 3.5Å; Y496-I645 VanDerWaalsContact CA-O 3.3Å; Y496-I645 WeakPolarHBondContact CA-O 3.31Å; Y496-I645 HydrophobicContact CD1-CB 3.92Å; Y496-I645 HydrophobicContact CD1-CD1 4.41Å; Y496-I645 HydrophobicContact CD1-CG2 4.46Å; Y496-I645 HydrophobicContact CE1-CB 4.21Å; Y496-I645 HydrophobicContact CE1-CD1 3.86Å; Y496-I647 HydrophobicContact CD1-CD1 3.39Å; Y496-I647 HydrophobicContact CD1-CG1 4.34Å; Y496-I647 HydrophobicContact CE1-CD1 3.95Å; Y496-I647 HydrophobicContact CG-CD1 3.84Å; Y496-C660 WeakPolarHBondContact CD2-SG 3.27Å; Y496-S663 PolarHBondContact OH-OG 2.9Å; Y496-L664 HydrophobicContact CE2-CG 4.49Å
497I98.3Very high92.6Very high0 Ų037 Ų370%017%0.165CC..EExtended strand (participates in β ladder)trans-116.5119.7158.6-70.3173.8000106.6V470 A486 S487 F488 M513 Q517 P644 I645 V646 I647V470-I497 HydrophobicContact CG2-CD1 4.12Å; V470-I497 HydrophobicContact CG2-CG1 4.14Å; V470-I497 HydrophobicContact CG2-CG2 3.97Å; A486-I497 HydrophobicContact CB-CG2 3.84Å; S487-I497 CarbonylContact O-C 3.4Å; S487-I497 WeakPolarHBondContact O-CA 3.44Å; F488-I497 HydrophobicContact CD1-CD1 4.22Å; F488-I497 HydrophobicContact CD1-CG1 3.71Å; F488-I497 HydrophobicContact CE1-CD1 3.75Å; F488-I497 HydrophobicContact CE1-CG1 3.78Å; F488-I497 HydrophobicContact CZ-CD1 4.47Å; I497-M513 HydrophobicContact CD1-CG 4.28Å; I497-M513 HydrophobicContact CD1-SD 4.27Å; I497-M513 HydrophobicContact CG2-CE 3.88Å; I497-M513 HydrophobicContact CG2-SD 3.71Å; I497-Q517 HydrophobicContact CD1-CB 4.09Å; I497-Q517 HydrophobicContact CD1-CG 3.9Å; I497-P644 HydrophobicContact CD1-CB 4.27Å; I497-P644 HydrophobicContact CD1-CG 3.41Å; I497-P644 VanDerWaalsContact CD1-CG 3.41Å; I497-P644 HydrophobicContact CG1-CB 3.98Å; I497-P644 HydrophobicContact CG1-CG 3.66Å; I497-I645 PolarHBondContact N-O 3.4Å; I497-V646 HydrophobicContact CB-CG2 3.85Å; I497-V646 HydrophobicContact CD1-CG2 4.18Å; I497-V646 HydrophobicContact CG2-CG2 4.17Å; I497-V646 CarbonylContact O-C 3.59Å; I497-V646 WeakPolarHBondContact O-CA 3.39Å; I497-I647 PolarHBondContact O-N 2.83Å
498L98.5Very high92.6Very high0 Ų039.1 Ų39.10%017%0.173CC..EExtended strand (participates in β ladder)trans-97.4125.8172.2-52.2-169000109.1A486 S487 V489 I647 C660 I691A486-L498 CarbonylContact C-O 3.59Å; A486-L498 VanDerWaalsContact CA-O 3.25Å; A486-L498 WeakPolarHBondContact CA-O 3.39Å; S487-L498 PolarHBondContact N-O 3.22Å; S487-L498 PolarHBondContact O-N 3.48Å; V489-L498 HydrophobicContact CB-CD1 4.35Å; V489-L498 HydrophobicContact CB-CG 4.09Å; V489-L498 HydrophobicContact CG1-CD1 4.45Å; V489-L498 HydrophobicContact CG2-CB 4.35Å; V489-L498 HydrophobicContact CG2-CD1 3.79Å; V489-L498 HydrophobicContact CG2-CG 3.68Å; L498-I647 WeakPolarHBondContact CA-O 3.3Å; L498-I647 HydrophobicContact CD2-CB 3.79Å; L498-I647 HydrophobicContact CD2-CD1 3.76Å; L498-I647 HydrophobicContact CD2-CG1 4.34Å; L498-I647 HydrophobicContact CD2-CG2 4.43Å; L498-C660 HydrophobicContact CD2-CB 4.42Å; L498-I691 HydrophobicContact CD1-CD1 3.72Å; L498-I691 HydrophobicContact CD1-CG1 4.47Å
499T98.5Very high92.7Very high3 Ų336.7 Ų36.72%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-140.5155.5-177.1-176.40000111.2N485 F510 M513 V646 I647 H648 G652N485-T499 WeakPolarHBondContact O-CA 3.44Å; N485-T499 PolarHBondContact O-OG1 2.91Å; T499-F510 HydrophobicContact CG2-CD2 4.26Å; T499-F510 HydrophobicContact CG2-CE2 3.87Å; T499-M513 HydrophobicContact CG2-CE 4.07Å; T499-V646 HydrophobicContact CG2-CG1 3.93Å; T499-I647 PolarHBondContact N-O 2.97Å; T499-I647 VanDerWaalsContact N-O 3.09Å; T499-H648 HydrophobicContact CG2-CB 3.54Å; T499-H648 WeakPolarHBondContact O-CA 3.38Å; T499-H648 WeakPolarHBondContact O-CB 3.33Å; T499-G652 WeakPolarHBondContact O-CA 3.39Å
500Q97.5Very high92.9Very high3 Ų336.7 Ų36.71%0.01416%0.162CC..EExtended strand (participates in β ladder)trans-68.4160.3170.271.8-173.17.800111.4K456 N485 C649K456-Q500 PolarHBondContact O-NE2 3.48Å; N485-Q500 HydrophobicContact CB-CG 4.16Å; N485-Q500 PolarHBondContact ND2-OE1 2.79Å; N485-Q500 PolarHBondContact O-N 2.88Å; Q500-C649 CarbonylContact C-O 3.59Å; Q500-C649 WeakPolarHBondContact CA-O 3.24Å
501D97.3Very high93.6Very high1 Ų132.9 Ų32.91%0.00515%0.148CC..PPolyproline II helixtrans-54.6128.5167.3-72.4-20.3000110.2R458 M503 T526 L531 H648 C649 R650R458-D501 PolarHBondContact NH2-O 2.87Å; D501-M503 PolarHBondContact O-N 2.86Å; D501-T526 VanDerWaalsContact CG-OG1 3.25Å; D501-T526 PolarHBondContact OD1-OG1 2.81Å; D501-T526 VanDerWaalsContact OD1-OG1 3.1Å; D501-T526 WeakPolarHBondContact OD2-CB 3.16Å; D501-T526 WeakPolarHBondContact OD2-CG2 3.31Å; D501-T526 PolarHBondContact OD2-OG1 2.93Å; D501-L531 HydrophobicContact CB-CD2 4.48Å; D501-H648 IonicContact OD1-CE1 3.17Å; D501-H648 PolarHBondContact OD1-CE1 3.01Å; D501-H648 VanDerWaalsContact OD1-CE1 3.28Å; D501-H648 IonicContact OD1-CG 3.33Å; D501-H648 IonicContact OD1-ND1 3.3Å; D501-H648 PolarHBondContact OD1-ND1 2.96Å; D501-C649 PolarHBondContact N-O 3.42Å; D501-C649 VanDerWaalsContact OD1-C 3.3Å; D501-R650 WeakPolarHBondContact OD2-CA 3.29Å; D501-R650 PolarHBondContact OD2-N 3.47Å
502P97.4Very high94.2Very high2 Ų232.8 Ų32.81%0.01315%0.146CC..PPolyproline II helixtrans-53.8126178.7-29.738.2000112.2I507 F510 Y537P502-I507 HydrophobicContact CB-CG1 3.95Å; P502-F510 HydrophobicContact CB-CB 4.28Å; P502-F510 HydrophobicContact CB-CG 4.42Å; P502-F510 HydrophobicContact CG-CB 3.88Å; P502-F510 HydrophobicContact CG-CD1 4Å; P502-F510 HydrophobicContact CG-CD2 3.52Å; P502-F510 HydrophobicContact CG-CE1 4.42Å; P502-F510 HydrophobicContact CG-CE2 3.97Å; P502-F510 HydrophobicContact CG-CG 3.52Å; P502-F510 HydrophobicContact CG-CZ 4.4Å; P502-Y537 HydrophobicContact CB-CD1 3.97Å; P502-Y537 HydrophobicContact CB-CG 4.2Å; P502-Y537 HydrophobicContact CG-CD1 3.47Å; P502-Y537 VanDerWaalsContact CG-CD1 3.47Å; P502-Y537 HydrophobicContact CG-CE1 3.9Å; P502-Y537 HydrophobicContact CG-CG 3.83Å
503M95.7Very high94.9Very high22 Ų2232.1 Ų32.111%0.10814%0.144CC..PPolyproline II helixtrans-85160.5169.6-60.9-175.4-56.900109.2A455 K456 R458 D501 N505 T506 I507A455-M503 WeakPolarHBondContact O-CE 3.14Å; K456-M503 WeakPolarHBondContact O-CE 3.19Å; R458-M503 HydrophobicContact CB-SD 3.81Å; R458-M503 HydrophobicContact CG-SD 4.35Å; D501-M503 PolarHBondContact O-N 2.86Å; M503-N505 WeakPolarHBondContact CB-OD1 3.34Å; M503-N505 PolarHBondContact O-N 3.03Å; M503-T506 HydrophobicContact CB-CG2 4.48Å; M503-T506 HydrophobicContact CE-CG2 3.89Å; M503-T506 PolarHBondContact N-OG1 3.44Å; M503-T506 CarbonylContact O-C 3.53Å; M503-T506 PolarHBondContact O-N 3.4Å; M503-T506 PolarHBondContact O-OG1 3.24Å; M503-I507 WeakPolarHBondContact O-CG1 3.49Å; M503-I507 PolarHBondContact O-N 3Å; M503-I507 VanDerWaalsContact O-N 3.1Å
504K95.2Very high95.7Very high174 Ų17426.7 Ų26.776%0.75712%0.12SC*.THydrogen-bonded Turntrans-47.8-38.7179.9-174.8179.2178.2-178.50113.7G534K504-G534 WeakPolarHBondContact CA-O 3.36Å
505N94.5Very high96.3Very high85 Ų8525.8 Ų25.846%0.45511%0.113SC..THydrogen-bonded Turntrans-85.3-7.3179.164.2-41.3000114.7A455 M503A455-N505 PolarHBondContact O-ND2 3.4Å; M503-N505 WeakPolarHBondContact CB-OD1 3.34Å; M503-N505 PolarHBondContact O-N 3.03Å
506T96.3Very high96.6Very high4 Ų421.2 Ų21.23%0.02510%0.099CC..THydrogen-bonded Turntrans-117.91.8-178.570.80000113.8K456 M503 W508 D509 F510K456-T506 HydrophobicContact CB-CG2 3.88Å; K456-T506 HydrophobicContact CG-CG2 4Å; M503-T506 HydrophobicContact CB-CG2 4.48Å; M503-T506 HydrophobicContact CE-CG2 3.89Å; M503-T506 PolarHBondContact N-OG1 3.44Å; M503-T506 CarbonylContact O-C 3.53Å; M503-T506 PolarHBondContact O-N 3.4Å; M503-T506 PolarHBondContact O-OG1 3.24Å; T506-W508 VanDerWaalsContact C-N 3.28Å; T506-W508 PolarHBondContact O-N 3.37Å; T506-D509 PolarHBondContact O-N 3Å; T506-F510 PolarHBondContact O-N 2.89Å
507I97.3Very high96.4Very high14 Ų1423.5 Ų23.57%0.07211%0.11CC..Hα-helixtrans-57.7-41.9176.7-70171.5000111.4P502 M503 F510 W511 G534 F548P502-I507 HydrophobicContact CB-CG1 3.95Å; M503-I507 WeakPolarHBondContact O-CG1 3.49Å; M503-I507 PolarHBondContact O-N 3Å; M503-I507 VanDerWaalsContact O-N 3.1Å; I507-F510 WeakPolarHBondContact O-CB 3.5Å; I507-F510 PolarHBondContact O-N 2.87Å; I507-W511 PolarHBondContact O-N 2.75Å; I507-W511 VanDerWaalsContact O-N 3.13Å; I507-G534 WeakPolarHBondContact CD1-O 3.26Å; I507-F548 HydrophobicContact CG2-CD1 3.44Å; I507-F548 VanDerWaalsContact CG2-CD1 3.44Å; I507-F548 HydrophobicContact CG2-CD2 4.43Å; I507-F548 HydrophobicContact CG2-CE1 3.46Å; I507-F548 VanDerWaalsContact CG2-CE1 3.46Å; I507-F548 HydrophobicContact CG2-CE2 4.43Å; I507-F548 HydrophobicContact CG2-CG 3.96Å; I507-F548 HydrophobicContact CG2-CZ 3.97Å
508W95.7Very high96.2Very high45 Ų4526.5 Ų26.517%0.1713%0.126CC..Hα-helixtrans-64.9-47.2178.7-179.140.3000111.5L475 T506 F510 W511 R512 F548 P552L475-W508 HydrophobicContact CD1-CH2 3.38Å; L475-W508 HydrophobicContact CD1-CZ2 3.86Å; L475-W508 HydrophobicContact CD1-CZ3 3.89Å; T506-W508 VanDerWaalsContact C-N 3.28Å; T506-W508 PolarHBondContact O-N 3.37Å; W508-F510 VanDerWaalsContact C-N 3.27Å; W508-F510 PolarHBondContact O-N 3.38Å; W508-W511 PolarHBondContact O-N 3.32Å; W508-R512 VanDerWaalsContact O-CG 3.29Å; W508-R512 WeakPolarHBondContact O-CG 3.36Å; W508-R512 PolarHBondContact O-N 3.12Å; W508-F548 HydrophobicContact CB-CB 4.49Å; W508-P552 PolarHBondContact NE1-O 3.39Å
509D96.8Very high96.1Very high5 Ų526.6 Ų26.63%0.02713%0.127CC..Hα-helixtrans-60.3-36.4175.8-70.1-36.1000112.2K456 L472 I484 T506 R512 M513K456-D509 VanDerWaalsContact CE-OD2 3.27Å; K456-D509 WeakPolarHBondContact CE-OD2 3.32Å; K456-D509 IonicContact NZ-OD1 3.39Å; K456-D509 IonicContact NZ-OD2 2.66Å; K456-D509 PolarHBondContact NZ-OD2 3.32Å; L472-D509 HydrophobicContact CD1-CB 3.74Å; I484-D509 HydrophobicContact CD1-CB 4.2Å; T506-D509 PolarHBondContact O-N 3Å; D509-R512 WeakPolarHBondContact O-CB 3.28Å; D509-R512 PolarHBondContact O-N 2.84Å; D509-R512 IonicContact OD1-NH1 2.68Å; D509-R512 PolarHBondContact OD1-NH1 3.38Å; D509-M513 WeakPolarHBondContact O-CB 3.04Å; D509-M513 PolarHBondContact O-N 2.99Å
510F98.2Very high96.1Very high1 Ų126.8 Ų26.80%0.00413%0.128CC..Hα-helixtrans-60.3-51.4174.3-179.9-94000111.4I484 T499 P502 T506 I507 W508 R512 M513 I514 I522 Y537 V646I484-F510 HydrophobicContact CD1-CB 4.44Å; T499-F510 HydrophobicContact CG2-CD2 4.26Å; T499-F510 HydrophobicContact CG2-CE2 3.87Å; P502-F510 HydrophobicContact CB-CB 4.28Å; P502-F510 HydrophobicContact CB-CG 4.42Å; P502-F510 HydrophobicContact CG-CB 3.88Å; P502-F510 HydrophobicContact CG-CD1 4Å; P502-F510 HydrophobicContact CG-CD2 3.52Å; P502-F510 HydrophobicContact CG-CE1 4.42Å; P502-F510 HydrophobicContact CG-CE2 3.97Å; P502-F510 HydrophobicContact CG-CG 3.52Å; P502-F510 HydrophobicContact CG-CZ 4.4Å; T506-F510 PolarHBondContact O-N 2.89Å; I507-F510 WeakPolarHBondContact O-CB 3.5Å; I507-F510 PolarHBondContact O-N 2.87Å; W508-F510 VanDerWaalsContact C-N 3.27Å; W508-F510 PolarHBondContact O-N 3.38Å; F510-R512 VanDerWaalsContact C-N 3.31Å; F510-R512 PolarHBondContact O-N 3.46Å; F510-M513 HydrophobicContact CD2-CE 4.06Å; F510-M513 HydrophobicContact CE2-CE 4.27Å; F510-M513 VanDerWaalsContact O-CB 3.26Å; F510-M513 WeakPolarHBondContact O-CB 3.46Å; F510-M513 PolarHBondContact O-N 3.15Å; F510-M513 VanDerWaalsContact O-N 3.15Å; F510-I514 HydrophobicContact CD1-CG1 4.2Å; F510-I514 HydrophobicContact CE1-CD1 4.22Å; F510-I514 HydrophobicContact CE1-CG1 3.92Å; F510-I514 HydrophobicContact CZ-CD1 4.15Å; F510-I514 HydrophobicContact CZ-CG1 4.33Å; F510-I514 WeakPolarHBondContact O-CG1 3.24Å; F510-I514 PolarHBondContact O-N 2.8Å; F510-I522 HydrophobicContact CE1-CD1 4.1Å; F510-I522 HydrophobicContact CZ-CD1 4.15Å; F510-I522 HydrophobicContact CZ-CG2 4.35Å; F510-Y537 AromaticContact CD1-CD2 3.94Å; F510-Y537 HydrophobicContact CD1-CD2 3.94Å; F510-Y537 HydrophobicContact CD1-CE2 4.18Å; F510-Y537 HydrophobicContact CD1-CG 4.48Å; F510-Y537 AromaticContact CE1-CD2 3.66Å; F510-Y537 HydrophobicContact CE1-CD2 3.66Å; F510-Y537 AromaticContact CE1-CE2 3.42Å; F510-Y537 HydrophobicContact CE1-CE2 3.42Å; F510-Y537 VanDerWaalsContact CE1-CE2 3.42Å; F510-Y537 HydrophobicContact CE1-CG 4.45Å; F510-Y537 AromaticContact CE1-CZ 3.99Å; F510-Y537 HydrophobicContact CZ-CD2 4.5Å; F510-Y537 AromaticContact CZ-CE2 3.95Å; F510-Y537 HydrophobicContact CZ-CE2 3.95Å; F510-V646 HydrophobicContact CE2-CG1 3.99Å; F510-V646 HydrophobicContact CZ-CG1 4.2Å
511W97.3Very high96.1Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-67.7-31.4178.2-74.9111.7000113.3I507 W508 M513 I514 V515 I522 Y537 F548 L554 V556 F572 V574I507-W511 PolarHBondContact O-N 2.75Å; I507-W511 VanDerWaalsContact O-N 3.13Å; W508-W511 PolarHBondContact O-N 3.32Å; W511-M513 VanDerWaalsContact C-N 3.34Å; W511-I514 HydrophobicContact CE3-CB 4.05Å; W511-I514 HydrophobicContact CE3-CG1 4.06Å; W511-I514 HydrophobicContact CE3-CG2 4.01Å; W511-I514 HydrophobicContact CZ3-CB 4.49Å; W511-I514 HydrophobicContact CZ3-CG1 4.37Å; W511-I514 HydrophobicContact CZ3-CG2 4.04Å; W511-I514 PolarHBondContact O-N 2.83Å; W511-V515 WeakPolarHBondContact O-CG2 3.4Å; W511-V515 PolarHBondContact O-N 2.92Å; W511-I522 HydrophobicContact CH2-CD1 4.33Å; W511-I522 HydrophobicContact CZ3-CD1 4.38Å; W511-Y537 AromaticContact CZ2-CD2 3.8Å; W511-Y537 HydrophobicContact CZ2-CD2 3.8Å; W511-Y537 HydrophobicContact CZ2-CE2 4.13Å; W511-Y537 AromaticContact NE1-CD2 3.97Å; W511-Y537 PolarHBondContact NE1-O 2.92Å; W511-F548 AromaticContact CD1-CD2 3.63Å; W511-F548 AromaticContact CD1-CE2 3.84Å; W511-F548 HydrophobicContact CG-CD2 4.43Å; W511-F548 AromaticContact NE1-CD2 3.94Å; W511-F548 AromaticContact NE1-CE2 3.64Å; W511-L554 VanDerWaalsContact C-CD1 3.42Å; W511-L554 HydrophobicContact CB-CD1 3.68Å; W511-V556 HydrophobicContact CD2-CG2 3.52Å; W511-V556 HydrophobicContact CE3-CG2 3.9Å; W511-V556 HydrophobicContact CG-CG2 3.93Å; W511-V556 HydrophobicContact CH2-CG1 3.71Å; W511-V556 HydrophobicContact CH2-CG2 4.21Å; W511-V556 HydrophobicContact CZ2-CB 4.31Å; W511-V556 HydrophobicContact CZ2-CG1 3.6Å; W511-V556 HydrophobicContact CZ2-CG2 3.87Å; W511-V556 HydrophobicContact CZ3-CG1 4.34Å; W511-V556 HydrophobicContact CZ3-CG2 4.23Å; W511-F572 HydrophobicContact CH2-CD2 4.32Å; W511-F572 HydrophobicContact CH2-CG 4.44Å; W511-V574 HydrophobicContact CE3-CG1 4.37Å; W511-V574 HydrophobicContact CE3-CG2 4Å; W511-V574 HydrophobicContact CH2-CG2 4.39Å; W511-V574 HydrophobicContact CZ3-CG2 3.6Å
512R95.3Very high96.1Very high3 Ų326.6 Ų26.61%0.01113%0.127CC..Hα-helixtrans-60.1-46.5170-71.7176.559.1-144-7.6110.9A473 A481 W508 D509 F510 I514 V515 E516 L554A473-R512 PolarHBondContact O-NH2 2.7Å; A481-R512 PolarHBondContact O-NH1 3.25Å; W508-R512 VanDerWaalsContact O-CG 3.29Å; W508-R512 WeakPolarHBondContact O-CG 3.36Å; W508-R512 PolarHBondContact O-N 3.12Å; D509-R512 WeakPolarHBondContact O-CB 3.28Å; D509-R512 PolarHBondContact O-N 2.84Å; D509-R512 IonicContact OD1-NH1 2.68Å; D509-R512 PolarHBondContact OD1-NH1 3.38Å; F510-R512 VanDerWaalsContact C-N 3.31Å; F510-R512 PolarHBondContact O-N 3.46Å; R512-I514 VanDerWaalsContact C-N 3.34Å; R512-I514 PolarHBondContact O-N 2.81Å; R512-V515 PolarHBondContact O-N 2.86Å; R512-E516 IonicContact CZ-OE1 2.64Å; R512-E516 IonicContact NE-OE1 2.64Å; R512-E516 PolarHBondContact NE-OE1 2.82Å; R512-E516 IonicContact NH2-OE1 2.65Å; R512-E516 PolarHBondContact NH2-OE1 2.94Å; R512-E516 VanDerWaalsContact O-CB 3.26Å; R512-E516 WeakPolarHBondContact O-CB 3.25Å; R512-E516 VanDerWaalsContact O-CG 3.22Å; R512-E516 WeakPolarHBondContact O-CG 3.48Å; R512-E516 PolarHBondContact O-N 2.7Å; R512-L554 HydrophobicContact CB-CD1 4.37Å; R512-L554 HydrophobicContact CG-CD1 3.78Å
513M96.9Very high96.2Very high0 Ų026.5 Ų26.50%013%0.126CC..Hα-helixtrans-56.2-46.8174.2-172.4175.165.700112.1V470 L472 I484 A486 I497 T499 D509 F510 W511 V515 Q517 V646V470-M513 HydrophobicContact CB-SD 4.18Å; V470-M513 HydrophobicContact CG1-CG 3.9Å; V470-M513 HydrophobicContact CG1-SD 3.98Å; V470-M513 HydrophobicContact CG2-SD 4.1Å; L472-M513 HydrophobicContact CD2-CB 3.8Å; L472-M513 HydrophobicContact CD2-CG 4.33Å; I484-M513 HydrophobicContact CD1-CB 4.17Å; I484-M513 HydrophobicContact CD1-CE 4.11Å; I484-M513 HydrophobicContact CD1-SD 3.96Å; I484-M513 HydrophobicContact CG2-SD 4.15Å; A486-M513 HydrophobicContact CB-CE 4.26Å; A486-M513 HydrophobicContact CB-SD 3.54Å; A486-M513 VanDerWaalsContact CB-SD 3.54Å; I497-M513 HydrophobicContact CD1-CG 4.28Å; I497-M513 HydrophobicContact CD1-SD 4.27Å; I497-M513 HydrophobicContact CG2-CE 3.88Å; I497-M513 HydrophobicContact CG2-SD 3.71Å; T499-M513 HydrophobicContact CG2-CE 4.07Å; D509-M513 WeakPolarHBondContact O-CB 3.04Å; D509-M513 PolarHBondContact O-N 2.99Å; F510-M513 HydrophobicContact CD2-CE 4.06Å; F510-M513 HydrophobicContact CE2-CE 4.27Å; F510-M513 VanDerWaalsContact O-CB 3.26Å; F510-M513 WeakPolarHBondContact O-CB 3.46Å; F510-M513 PolarHBondContact O-N 3.15Å; F510-M513 VanDerWaalsContact O-N 3.15Å; W511-M513 VanDerWaalsContact C-N 3.34Å; M513-V515 VanDerWaalsContact C-N 3.33Å; M513-V515 PolarHBondContact O-N 2.72Å; M513-Q517 HydrophobicContact CG-CG 4.18Å; M513-Q517 VanDerWaalsContact O-CB 3.23Å; M513-Q517 WeakPolarHBondContact O-CB 3.31Å; M513-Q517 VanDerWaalsContact O-CG 3.28Å; M513-Q517 WeakPolarHBondContact O-CG 3.46Å; M513-Q517 PolarHBondContact O-N 3.34Å; M513-V646 HydrophobicContact CE-CG1 4.34Å; M513-V646 HydrophobicContact CE-CG2 4.22Å
514I97Very high96.3Very high1 Ų125.4 Ų25.41%0.00512%0.121CC..Hα-helixtrans-57.8-45.8179-64-59.8000111.4F510 W511 R512 N518 V519 I522 V585 V646F510-I514 HydrophobicContact CD1-CG1 4.2Å; F510-I514 HydrophobicContact CE1-CD1 4.22Å; F510-I514 HydrophobicContact CE1-CG1 3.92Å; F510-I514 HydrophobicContact CZ-CD1 4.15Å; F510-I514 HydrophobicContact CZ-CG1 4.33Å; F510-I514 WeakPolarHBondContact O-CG1 3.24Å; F510-I514 PolarHBondContact O-N 2.8Å; W511-I514 HydrophobicContact CE3-CB 4.05Å; W511-I514 HydrophobicContact CE3-CG1 4.06Å; W511-I514 HydrophobicContact CE3-CG2 4.01Å; W511-I514 HydrophobicContact CZ3-CB 4.49Å; W511-I514 HydrophobicContact CZ3-CG1 4.37Å; W511-I514 HydrophobicContact CZ3-CG2 4.04Å; W511-I514 PolarHBondContact O-N 2.83Å; R512-I514 VanDerWaalsContact C-N 3.34Å; R512-I514 PolarHBondContact O-N 2.81Å; I514-N518 PolarHBondContact O-N 2.9Å; I514-V519 HydrophobicContact CB-CB 4.44Å; I514-V519 HydrophobicContact CD1-CB 3.9Å; I514-V519 HydrophobicContact CD1-CG1 3.72Å; I514-V519 HydrophobicContact CD1-CG2 4.19Å; I514-V519 HydrophobicContact CG2-CB 4.07Å; I514-V519 PolarHBondContact O-N 3.38Å; I514-I522 HydrophobicContact CD1-CD1 3.73Å; I514-I522 HydrophobicContact CD1-CG1 3.84Å; I514-I522 HydrophobicContact CG1-CD1 4.18Å; I514-V585 HydrophobicContact CG2-CG1 4.35Å; I514-V585 HydrophobicContact CG2-CG2 3.84Å; I514-V646 HydrophobicContact CD1-CB 4.09Å; I514-V646 HydrophobicContact CD1-CG1 4.28Å; I514-V646 HydrophobicContact CD1-CG2 3.72Å
515V94.8Very high96.4Very high10 Ų1017.1 Ų17.16%0.0619%0.085CC..Hα-helixtrans-71.3-52-179.6172.40000111.3W511 R512 M513 Q517 N518 L554 V574W511-V515 WeakPolarHBondContact O-CG2 3.4Å; W511-V515 PolarHBondContact O-N 2.92Å; R512-V515 PolarHBondContact O-N 2.86Å; M513-V515 VanDerWaalsContact C-N 3.33Å; M513-V515 PolarHBondContact O-N 2.72Å; V515-Q517 VanDerWaalsContact C-N 3.27Å; V515-Q517 PolarHBondContact O-N 2.97Å; V515-N518 PolarHBondContact O-N 3.32Å; V515-N518 VanDerWaalsContact O-N 3.1Å; V515-L554 HydrophobicContact CG2-CD1 4.39Å; V515-L554 HydrophobicContact CG2-CD2 4.18Å; V515-V574 HydrophobicContact CG2-CG1 3.79Å
516E93.4Very high96.3Very high71 Ų7113.3 Ų13.333%0.3327%0.065SC..Hα-helixtrans-62.9-32.6-176.3-69.8177-159.700112.2L472 A473 R512L472-E516 VanDerWaalsContact CA-OE2 3.31Å; L472-E516 WeakPolarHBondContact CA-OE2 3.2Å; A473-E516 PolarHBondContact N-OE2 3Å; R512-E516 IonicContact CZ-OE1 2.64Å; R512-E516 IonicContact NE-OE1 2.64Å; R512-E516 PolarHBondContact NE-OE1 2.82Å; R512-E516 IonicContact NH2-OE1 2.65Å; R512-E516 PolarHBondContact NH2-OE1 2.94Å; R512-E516 VanDerWaalsContact O-CB 3.26Å; R512-E516 WeakPolarHBondContact O-CB 3.25Å; R512-E516 VanDerWaalsContact O-CG 3.22Å; R512-E516 WeakPolarHBondContact O-CG 3.48Å; R512-E516 PolarHBondContact O-N 2.7Å
517Q93.7Very high96Very high49 Ų4916.4 Ų16.423%0.2298%0.079CC..THydrogen-bonded Turntrans-93.95.7178.5-56.5-56.3-45.800113.5V470 F488 I497 M513 V515 V519 G643 P644V470-Q517 HydrophobicContact CG1-CG 4.31Å; F488-Q517 HydrophobicContact CZ-CG 4.4Å; I497-Q517 HydrophobicContact CD1-CB 4.09Å; I497-Q517 HydrophobicContact CD1-CG 3.9Å; M513-Q517 HydrophobicContact CG-CG 4.18Å; M513-Q517 VanDerWaalsContact O-CB 3.23Å; M513-Q517 WeakPolarHBondContact O-CB 3.31Å; M513-Q517 VanDerWaalsContact O-CG 3.28Å; M513-Q517 WeakPolarHBondContact O-CG 3.46Å; M513-Q517 PolarHBondContact O-N 3.34Å; V515-Q517 VanDerWaalsContact C-N 3.27Å; V515-Q517 PolarHBondContact O-N 2.97Å; Q517-V519 VanDerWaalsContact C-N 3.3Å; Q517-V519 HydrophobicContact CB-CG2 3.93Å; Q517-V519 PolarHBondContact O-N 2.96Å; Q517-G643 WeakPolarHBondContact O-CA 3.45Å; Q517-P644 HydrophobicContact CB-CG 4.24Å; Q517-P644 VanDerWaalsContact O-CD 3.29Å; Q517-P644 WeakPolarHBondContact O-CD 3.47Å
518N93.8Very high95.5Very high63 Ų6318.4 Ų18.434%0.3379%0.088SC..THydrogen-bonded Turntrans54.440.6-178.6-165.434.5000114I514 V515 S520 R583 E641 G643I514-N518 PolarHBondContact O-N 2.9Å; V515-N518 PolarHBondContact O-N 3.32Å; V515-N518 VanDerWaalsContact O-N 3.1Å; N518-S520 PolarHBondContact O-N 2.8Å; N518-R583 PolarHBondContact OD1-NH1 3.47Å; N518-E641 PolarHBondContact ND2-O 2.79Å; N518-G643 PolarHBondContact O-N 3.36Å
519V96.7Very high95.1Very high3 Ų321 Ų212%0.01811%0.113CC..  trans-74.9125.6-176.1175.30000110.2I514 Q517 C521 I522 P644 V646I514-V519 HydrophobicContact CB-CB 4.44Å; I514-V519 HydrophobicContact CD1-CB 3.9Å; I514-V519 HydrophobicContact CD1-CG1 3.72Å; I514-V519 HydrophobicContact CD1-CG2 4.19Å; I514-V519 HydrophobicContact CG2-CB 4.07Å; I514-V519 PolarHBondContact O-N 3.38Å; Q517-V519 VanDerWaalsContact C-N 3.3Å; Q517-V519 HydrophobicContact CB-CG2 3.93Å; Q517-V519 PolarHBondContact O-N 2.96Å; V519-C521 VanDerWaalsContact CG1-O 3.23Å; V519-C521 WeakPolarHBondContact CG1-O 3.26Å; V519-I522 HydrophobicContact CG1-CG1 4.33Å; V519-P644 HydrophobicContact CG2-CG 4.22Å; V519-P644 WeakPolarHBondContact CG2-O 3.47Å; V519-V646 HydrophobicContact CB-CG2 4.3Å; V519-V646 HydrophobicContact CG1-CB 4.11Å; V519-V646 HydrophobicContact CG1-CG2 3.76Å; V519-V646 HydrophobicContact CG2-CG2 3.67Å
520S96.5Very high94.7Very high6 Ų623.5 Ų23.54%0.04213%0.131CC..  trans-102.4-1617571.80000113N518 G586 R635 S642N518-S520 PolarHBondContact O-N 2.8Å; S520-G586 PolarHBondContact O-N 3.36Å; S520-R635 VanDerWaalsContact O-CZ 3.25Å; S520-R635 PolarHBondContact O-NE 3.07Å; S520-R635 PolarHBondContact O-NH2 3.37Å; S520-S642 VanDerWaalsContact CB-CB 3.47Å; S520-S642 VanDerWaalsContact OG-CB 3.24Å; S520-S642 WeakPolarHBondContact OG-CB 3.36Å; S520-S642 PolarHBondContact OG-OG 3.26Å
521C98Very high94.3Very high0 Ų024.5 Ų24.50%014%0.136CC..EExtended strand (participates in β ladder)trans-135.1125.9-170.5-169.50000111.2V519 G586 R635 I645 V646V519-C521 VanDerWaalsContact CG1-O 3.23Å; V519-C521 WeakPolarHBondContact CG1-O 3.26Å; C521-G586 CarbonylContact C-O 3.6Å; C521-G586 WeakPolarHBondContact CA-O 3.38Å; C521-R635 HydrophobicContact CB-CG 4.42Å; C521-I645 HydrophobicContact CB-CG1 4.25Å; C521-I645 HydrophobicContact CB-CG2 4.24Å; C521-V646 PolarHBondContact O-N 3.39Å
522I98.6Very high93.9Very high0 Ų029.9 Ų29.90%016%0.161CC..EExtended strand (participates in β ladder)trans-117.6136.3174.5-58.6172.7000108.4F510 W511 I514 V519 V585 G586 M587 F588 V646F510-I522 HydrophobicContact CE1-CD1 4.1Å; F510-I522 HydrophobicContact CZ-CD1 4.15Å; F510-I522 HydrophobicContact CZ-CG2 4.35Å; W511-I522 HydrophobicContact CH2-CD1 4.33Å; W511-I522 HydrophobicContact CZ3-CD1 4.38Å; I514-I522 HydrophobicContact CD1-CD1 3.73Å; I514-I522 HydrophobicContact CD1-CG1 3.84Å; I514-I522 HydrophobicContact CG1-CD1 4.18Å; V519-I522 HydrophobicContact CG1-CG1 4.33Å; I522-V585 HydrophobicContact CD1-CG1 3.59Å; I522-V585 HydrophobicContact CG1-CG1 3.83Å; I522-G586 PolarHBondContact N-O 2.8Å; I522-M587 HydrophobicContact CB-CB 4.09Å; I522-M587 HydrophobicContact CB-CG 3.9Å; I522-M587 HydrophobicContact CG2-CG 3.85Å; I522-M587 HydrophobicContact CG2-SD 4.24Å; I522-M587 CarbonylContact O-C 3.45Å; I522-M587 VanDerWaalsContact O-CA 3.22Å; I522-M587 WeakPolarHBondContact O-CA 3.43Å; I522-F588 PolarHBondContact O-N 3.24Å; I522-V646 CarbonylContact C-O 3.5Å; I522-V646 VanDerWaalsContact CA-O 3.27Å; I522-V646 WeakPolarHBondContact CA-O 3.21Å; I522-V646 HydrophobicContact CG1-CB 4.4Å; I522-V646 HydrophobicContact CG2-CG1 4.46Å
523V98.4Very high93.4Very high0 Ų036.4 Ų36.40%020%0.204CC..EExtended strand (participates in β ladder)trans-118.5111.7172.7-174.90000108L525 F588 L628 V632 I645 V646 I647 H648 Y659V523-L525 HydrophobicContact CG1-CD2 3.62Å; V523-L525 HydrophobicContact CG1-CG 4.08Å; V523-F588 CarbonylContact C-O 3.22Å; V523-F588 WeakPolarHBondContact CA-O 3.44Å; V523-L628 HydrophobicContact CG1-CD2 4.2Å; V523-V632 HydrophobicContact CG2-CB 4.48Å; V523-V632 HydrophobicContact CG2-CG1 4.05Å; V523-V632 HydrophobicContact CG2-CG2 3.57Å; V523-I645 HydrophobicContact CG2-CG2 3.97Å; V523-V646 PolarHBondContact N-O 2.86Å; V523-I647 HydrophobicContact CB-CB 4.4Å; V523-I647 HydrophobicContact CB-CG1 4.08Å; V523-I647 HydrophobicContact CB-CG2 4.25Å; V523-I647 HydrophobicContact CG1-CG2 4.44Å; V523-I647 HydrophobicContact CG2-CG1 4.31Å; V523-I647 CarbonylContact O-C 3.43Å; V523-I647 WeakPolarHBondContact O-CA 3.21Å; V523-H648 PolarHBondContact O-N 3.34Å; V523-Y659 HydrophobicContact CG1-CE2 4.32Å
524M97.8Very high92.9Very high0 Ų037.9 Ų37.90%022%0.219CC..EExtended strand (participates in β ladder)trans-96.8119.1175.6173.3176.3-170.300108.8T526 L531 W538 F588 S589 F590 H648M524-T526 VanDerWaalsContact CE-O 3.32Å; M524-T526 WeakPolarHBondContact CE-O 3.48Å; M524-L531 HydrophobicContact CE-CD1 3.52Å; M524-L531 HydrophobicContact CE-CD2 4.08Å; M524-L531 HydrophobicContact CE-CG 3.89Å; M524-W538 HydrophobicContact CE-CH2 3.78Å; M524-W538 HydrophobicContact CE-CZ3 4.28Å; M524-W538 HydrophobicContact SD-CH2 3.53Å; M524-W538 VanDerWaalsContact SD-CH2 3.53Å; M524-W538 HydrophobicContact SD-CZ2 4.47Å; M524-W538 HydrophobicContact SD-CZ3 3.9Å; M524-F588 PolarHBondContact N-O 3.17Å; M524-S589 CarbonylContact O-C 3.53Å; M524-S589 WeakPolarHBondContact O-CA 3.49Å; M524-F590 PolarHBondContact O-N 3.25Å; M524-H648 VanDerWaalsContact CB-NE2 3.27Å; M524-H648 WeakPolarHBondContact CB-NE2 3.4Å; M524-H648 WeakPolarHBondContact CG-CE1 3.39Å
525L96.6Very high92.7Very high0 Ų038.1 Ų38.10%022%0.22CC..  trans-108.92.3-178.3-59.6179.1000113.1V523 F590 W593 L628 I647 H648 C649 R655 Y659V523-L525 HydrophobicContact CG1-CD2 3.62Å; V523-L525 HydrophobicContact CG1-CG 4.08Å; L525-F590 HydrophobicContact CD2-CB 3.83Å; L525-F590 HydrophobicContact CD2-CD1 4.25Å; L525-F590 HydrophobicContact CD2-CG 4.39Å; L525-W593 HydrophobicContact CB-CZ2 3.89Å; L525-W593 HydrophobicContact CD1-CZ2 4.38Å; L525-W593 HydrophobicContact CD2-CZ2 4.1Å; L525-W593 HydrophobicContact CG-CZ2 4.34Å; L525-W593 PolarHBondContact O-NE1 3.02Å; L525-L628 HydrophobicContact CD2-CD2 4.19Å; L525-I647 HydrophobicContact CD1-CG2 3.63Å; L525-I647 HydrophobicContact CG-CG2 4.19Å; L525-H648 PolarHBondContact N-O 3.11Å; L525-C649 HydrophobicContact CB-CB 4.12Å; L525-R655 HydrophobicContact CB-CB 3.99Å; L525-R655 HydrophobicContact CD1-CB 4.14Å; L525-R655 VanDerWaalsContact CD1-O 3.29Å; L525-R655 WeakPolarHBondContact CD1-O 3.44Å; L525-R655 WeakPolarHBondContact O-CD 3.46Å; L525-R655 PolarHBondContact O-NH1 2.99Å; L525-Y659 HydrophobicContact CD1-CG 4.19Å; L525-Y659 HydrophobicContact CD2-CD2 4.37Å
526T93.5Very high92.7Very high5 Ų542.8 Ų42.83%0.03124%0.237CC..SBendtrans-90.2144.7168.7-610000109.7D501 M524 S530 L531 C649 R650D501-T526 VanDerWaalsContact CG-OG1 3.25Å; D501-T526 PolarHBondContact OD1-OG1 2.81Å; D501-T526 VanDerWaalsContact OD1-OG1 3.1Å; D501-T526 WeakPolarHBondContact OD2-CB 3.16Å; D501-T526 WeakPolarHBondContact OD2-CG2 3.31Å; D501-T526 PolarHBondContact OD2-OG1 2.93Å; M524-T526 VanDerWaalsContact CE-O 3.32Å; M524-T526 WeakPolarHBondContact CE-O 3.48Å; T526-S530 WeakPolarHBondContact CG2-OG 3.45Å; T526-L531 HydrophobicContact CG2-CD2 4.18Å; T526-C649 VanDerWaalsContact OG1-CA 3.31Å; T526-C649 WeakPolarHBondContact OG1-CA 3.37Å; T526-R650 PolarHBondContact OG1-N 3.11Å
527E89.5Confident92.9Very high68 Ų6839.5 Ų39.532%0.31822%0.221SC..  trans-72.3136.3172.8-68.8-175.8-161.500111S529 S530E527-S529 PolarHBondContact O-N 3.16Å; E527-S529 PolarHBondContact OE2-OG 2.91Å; E527-S530 PolarHBondContact O-N 3.31Å; E527-S530 PolarHBondContact O-OG 3.19Å
528E87.5Confident93Very high56 Ų5637.5 Ų37.526%0.26221%0.212SC..G310 helixtrans-60.6-30.2-178.7-174.6172.4171.200113.1S530 L531 R536 W538 R570E528-S530 PolarHBondContact O-N 3.48Å; E528-L531 PolarHBondContact O-N 2.86Å; E528-R536 IonicContact OE1-CZ 3.68Å; E528-R536 IonicContact OE1-NE 2.92Å; E528-R536 PolarHBondContact OE1-NE 2.78Å; E528-R536 IonicContact OE1-NH2 3.48Å; E528-R536 PolarHBondContact OE1-NH2 2.9Å; E528-W538 HydrophobicContact CG-CZ2 4.15Å; E528-R570 IonicContact OE1-NH2 3.75Å; E528-R570 IonicContact OE2-CZ 3.65Å; E528-R570 IonicContact OE2-NH1 2.7Å; E528-R570 IonicContact OE2-NH2 3.25Å; E528-R570 PolarHBondContact OE2-NH2 3.09Å
529S87Confident93Very high99 Ų9934.6 Ų34.669%0.69220%0.196SC*.G310 helixtrans-62.2-25.5174.448.50000113.6E527E527-S529 PolarHBondContact O-N 3.16Å; E527-S529 PolarHBondContact OE2-OG 2.91Å
530S87.9Confident92.8Very high58 Ų5837 Ų3741%0.40622%0.217SC..G310 helixtrans-89.9-5-17970.60000113.6T526 E527 E528T526-S530 WeakPolarHBondContact CG2-OG 3.45Å; E527-S530 PolarHBondContact O-N 3.31Å; E527-S530 PolarHBondContact O-OG 3.19Å; E528-S530 PolarHBondContact O-N 3.48Å
531L89.6Confident92.7Very high23 Ų2343.1 Ų43.112%0.1225%0.245CC..SBendtrans-77.7134.9173.4-63.8-173.5000110.8D501 M524 T526 E528 E535 W538D501-L531 HydrophobicContact CB-CD2 4.48Å; M524-L531 HydrophobicContact CE-CD1 3.52Å; M524-L531 HydrophobicContact CE-CD2 4.08Å; M524-L531 HydrophobicContact CE-CG 3.89Å; T526-L531 HydrophobicContact CG2-CD2 4.18Å; E528-L531 PolarHBondContact O-N 2.86Å; L531-E535 HydrophobicContact CB-CB 4.3Å; L531-E535 HydrophobicContact CD2-CB 4.37Å; L531-W538 HydrophobicContact CD1-CH2 3.52Å; L531-W538 HydrophobicContact CD1-CZ3 3.9Å
532E89.7Confident92.6Very high112 Ų11247.7 Ų47.752%0.52327%0.269SS..  trans-68.7155.4170.1-62.1171.9-16600110.4G534 E535 R650E532-G534 PolarHBondContact O-N 3.16Å; E532-E535 HydrophobicContact CB-CG 3.94Å; E532-E535 WeakPolarHBondContact CB-OE2 3.4Å; E532-E535 PolarHBondContact N-OE2 3.27Å; E532-E535 WeakPolarHBondContact O-CB 3.45Å; E532-E535 PolarHBondContact O-N 3.34Å; E532-R650 IonicContact OE1-NH2 2.66Å
533P84Confident92.4Very high140 Ų14052.3 Ų52.391%0.90929%0.294SS*.THydrogen-bonded Turntrans-53.6-24.9-178.2-2935.5000115.3
534G87.2Confident92.2Very high31 Ų3157 Ų5732%0.3232%0.315SS..THydrogen-bonded Turntrans-93.70.8177.600000115.6K504 I507 E532K504-G534 WeakPolarHBondContact CA-O 3.36Å; I507-G534 WeakPolarHBondContact CD1-O 3.26Å; E532-G534 PolarHBondContact O-N 3.16Å
535E93.1Very high91.9Very high6 Ų658.4 Ų58.43%0.02833%0.33CS..THydrogen-bonded Turntrans-103.7-11.7-176.3-64.7-177.7135.700113R458 L531 E532 Y537 R650R458-E535 IonicContact CZ-OE1 3.63Å; R458-E535 IonicContact NH1-OE1 2.77Å; R458-E535 PolarHBondContact NH1-OE1 3.2Å; R458-E535 IonicContact NH2-OE1 2.75Å; R458-E535 PolarHBondContact NH2-OE1 2.91Å; L531-E535 HydrophobicContact CB-CB 4.3Å; L531-E535 HydrophobicContact CD2-CB 4.37Å; E532-E535 HydrophobicContact CB-CG 3.94Å; E532-E535 WeakPolarHBondContact CB-OE2 3.4Å; E532-E535 PolarHBondContact N-OE2 3.27Å; E532-E535 WeakPolarHBondContact O-CB 3.45Å; E532-E535 PolarHBondContact O-N 3.34Å; E535-Y537 PolarHBondContact O-N 3.19Å; E535-R650 IonicContact OE1-CZ 3.58Å; E535-R650 IonicContact OE1-NH1 3.46Å; E535-R650 PolarHBondContact OE1-NH1 3.48Å; E535-R650 IonicContact OE1-NH2 3.62Å; E535-R650 IonicContact OE2-CZ 3.83Å; E535-R650 IonicContact OE2-NH1 2.68Å; E535-R650 PolarHBondContact OE2-NH1 3.22Å; E535-R650 IonicContact OE2-NH2 3.27Å
536R94.8Very high91.9Very high109 Ų10960.6 Ų60.641%0.41134%0.343SS..  trans-64.9100.8170.1-176.2-174.9-79.1158.2-5.5109E528 W538E528-R536 IonicContact OE1-CZ 3.68Å; E528-R536 IonicContact OE1-NE 2.92Å; E528-R536 PolarHBondContact OE1-NE 2.78Å; E528-R536 IonicContact OE1-NH2 3.48Å; E528-R536 PolarHBondContact OE1-NH2 2.9Å; R536-W538 VanDerWaalsContact C-N 3.25Å; R536-W538 HydrophobicContact CG-CD2 3.9Å; R536-W538 HydrophobicContact CG-CE3 4.27Å; R536-W538 HydrophobicContact CG-CG 4.31Å; R536-W538 HydrophobicContact CG-CH2 4.45Å; R536-W538 HydrophobicContact CG-CZ2 4.09Å; R536-W538 WeakPolarHBondContact CG-O 3.42Å; R536-W538 PolarHBondContact O-N 3.23Å
537Y96.2Very high92Very high1 Ų163.7 Ų63.70%0.00437%0.365CS..  trans-85.18.5-17563.9-97.8000114P502 F510 W511 E535 F548 M587 H648P502-Y537 HydrophobicContact CB-CD1 3.97Å; P502-Y537 HydrophobicContact CB-CG 4.2Å; P502-Y537 HydrophobicContact CG-CD1 3.47Å; P502-Y537 VanDerWaalsContact CG-CD1 3.47Å; P502-Y537 HydrophobicContact CG-CE1 3.9Å; P502-Y537 HydrophobicContact CG-CG 3.83Å; F510-Y537 AromaticContact CD1-CD2 3.94Å; F510-Y537 HydrophobicContact CD1-CD2 3.94Å; F510-Y537 HydrophobicContact CD1-CE2 4.18Å; F510-Y537 HydrophobicContact CD1-CG 4.48Å; F510-Y537 AromaticContact CE1-CD2 3.66Å; F510-Y537 HydrophobicContact CE1-CD2 3.66Å; F510-Y537 AromaticContact CE1-CE2 3.42Å; F510-Y537 HydrophobicContact CE1-CE2 3.42Å; F510-Y537 VanDerWaalsContact CE1-CE2 3.42Å; F510-Y537 HydrophobicContact CE1-CG 4.45Å; F510-Y537 AromaticContact CE1-CZ 3.99Å; F510-Y537 HydrophobicContact CZ-CD2 4.5Å; F510-Y537 AromaticContact CZ-CE2 3.95Å; F510-Y537 HydrophobicContact CZ-CE2 3.95Å; W511-Y537 AromaticContact CZ2-CD2 3.8Å; W511-Y537 HydrophobicContact CZ2-CD2 3.8Å; W511-Y537 HydrophobicContact CZ2-CE2 4.13Å; W511-Y537 AromaticContact NE1-CD2 3.97Å; W511-Y537 PolarHBondContact NE1-O 2.92Å; E535-Y537 PolarHBondContact O-N 3.19Å; Y537-F548 WeakPolarHBondContact O-CZ 3.42Å; Y537-M587 HydrophobicContact CE2-SD 4.02Å; Y537-M587 PolarHBondContact OH-SD 2.95Å; Y537-H648 AromaticContact CE1-CE1 3.65Å; Y537-H648 AromaticContact CE1-NE2 3.67Å; Y537-H648 AromaticContact CZ-NE2 3.53Å; Y537-H648 PolarHBondContact OH-NE2 3.24Å
538W96Very high92.2Very high7 Ų761.9 Ų61.93%0.02736%0.356CS..SBendtrans-133.9159.9-178.365.388.9000112.1M524 E528 L531 R536 A540 F572 M587M524-W538 HydrophobicContact CE-CH2 3.78Å; M524-W538 HydrophobicContact CE-CZ3 4.28Å; M524-W538 HydrophobicContact SD-CH2 3.53Å; M524-W538 VanDerWaalsContact SD-CH2 3.53Å; M524-W538 HydrophobicContact SD-CZ2 4.47Å; M524-W538 HydrophobicContact SD-CZ3 3.9Å; E528-W538 HydrophobicContact CG-CZ2 4.15Å; L531-W538 HydrophobicContact CD1-CH2 3.52Å; L531-W538 HydrophobicContact CD1-CZ3 3.9Å; R536-W538 VanDerWaalsContact C-N 3.25Å; R536-W538 HydrophobicContact CG-CD2 3.9Å; R536-W538 HydrophobicContact CG-CE3 4.27Å; R536-W538 HydrophobicContact CG-CG 4.31Å; R536-W538 HydrophobicContact CG-CH2 4.45Å; R536-W538 HydrophobicContact CG-CZ2 4.09Å; R536-W538 WeakPolarHBondContact CG-O 3.42Å; R536-W538 PolarHBondContact O-N 3.23Å; W538-A540 PolarHBondContact O-N 2.88Å; W538-F572 HydrophobicContact CB-CE1 3.73Å; W538-F572 HydrophobicContact CB-CZ 3.78Å; W538-F572 HydrophobicContact CG-CE1 4.16Å; W538-F572 AromaticContact CG-CZ 3.94Å; W538-F572 HydrophobicContact CG-CZ 3.94Å; W538-M587 HydrophobicContact CD2-CE 3.97Å; W538-M587 HydrophobicContact CE3-CE 4.1Å; W538-M587 HydrophobicContact CE3-SD 4.47Å; W538-M587 HydrophobicContact CG-CE 4.48Å; W538-M587 HydrophobicContact CH2-CE 4.4Å; W538-M587 HydrophobicContact CZ2-CE 4.28Å; W538-M587 HydrophobicContact CZ3-CE 4.32Å
539P95.2Very high92.3Very high2 Ų260.5 Ų60.51%0.01336%0.357CS..  trans-63.9133.2177.1-19.530.4000113H544 V546 V556 K558P539-H544 VanDerWaalsContact CB-O 3.31Å; P539-H544 WeakPolarHBondContact CB-O 3.27Å; P539-H544 WeakPolarHBondContact CG-O 3.33Å; P539-V546 HydrophobicContact CB-CG2 3.88Å; P539-V546 HydrophobicContact CG-CB 4.1Å; P539-V546 HydrophobicContact CG-CG2 3.86Å; P539-V556 HydrophobicContact CG-CG1 4.39Å; P539-V556 WeakPolarHBondContact CG-O 3.42Å; P539-K558 HydrophobicContact CB-CB 4.31Å; P539-K558 WeakPolarHBondContact O-CE 3.23Å
540A91.9Very high92.1Very high55 Ų5562.1 Ų62.146%0.45536%0.358SS..SBendtrans-72.4-37.6175.800000112.5W538 K558W538-A540 PolarHBondContact O-N 2.88Å; A540-K558 WeakPolarHBondContact O-CE 3.48Å; A540-K558 PolarHBondContact O-NZ 2.88Å
541E94.5Very high92.1Very high134 Ų13467.4 Ų67.463%0.62637%0.374SS*.SBendtrans-91.3146.5-177.2-66.3179.4-174.400112H544E541-H544 HydrophobicContact CB-CB 3.81Å
542L95.8Very high92Very high96 Ų9666.9 Ų66.950%0.50337%0.372SS..THydrogen-bonded Turntrans-71.3139.1174.8-167.373.6000110.1H544 K558 V559L542-H544 PolarHBondContact O-N 2.94Å; L542-K558 HydrophobicContact CD1-CG 4.37Å; L542-V559 VanDerWaalsContact CD1-C 3.49Å
543N93.9Very high92.1Very high97 Ų9764.8 Ų64.852%0.51936%0.363SS..THydrogen-bonded Turntrans60.28.2-178.1-56.2-45.1000115.1Q557 K558N543-Q557 PolarHBondContact O-NE2 3.11Å; N543-K558 WeakPolarHBondContact CA-O 3.42Å; N543-K558 PolarHBondContact N-O 3.38Å
544H94.1Very high92.6Very high97 Ų9758.1 Ų58.145%0.44932%0.32SS..  trans-89.3129.1169.6-173.577.1000110.3P539 E541 L542P539-H544 VanDerWaalsContact CB-O 3.31Å; P539-H544 WeakPolarHBondContact CB-O 3.27Å; P539-H544 WeakPolarHBondContact CG-O 3.33Å; E541-H544 HydrophobicContact CB-CB 3.81Å; L542-H544 PolarHBondContact O-N 2.94Å
545G93Very high93Very high31 Ų3158.7 Ų58.732%0.3232%0.317SS..EExtended strand (participates in β ladder)trans-96.2127.9177.900000111.5V556G545-V556 CarbonylContact C-O 3.55Å; G545-V556 WeakPolarHBondContact CA-O 3.19Å
546V95.7Very high93.2Very high46 Ų4658.4 Ų58.428%0.27932%0.316SS..EExtended strand (participates in β ladder)trans-108.4132.7171.9-179.80000108.6P539 F548 T555 V556P539-V546 HydrophobicContact CB-CG2 3.88Å; P539-V546 HydrophobicContact CG-CB 4.1Å; P539-V546 HydrophobicContact CG-CG2 3.86Å; V546-F548 HydrophobicContact CB-CE2 4.26Å; V546-F548 HydrophobicContact CB-CZ 4.08Å; V546-F548 HydrophobicContact CG1-CD1 4.43Å; V546-F548 HydrophobicContact CG1-CE1 3.75Å; V546-F548 HydrophobicContact CG1-CE2 4.05Å; V546-F548 HydrophobicContact CG1-CZ 3.54Å; V546-T555 WeakPolarHBondContact O-CA 3.48Å; V546-V556 PolarHBondContact N-O 3.39Å; V546-V556 PolarHBondContact O-N 2.94Å
547S95.1Very high93.4Very high70 Ų7056.3 Ų56.349%0.4931%0.311SS..EExtended strand (participates in β ladder)trans-102.1135.8180-61.80000111L554 T555S547-L554 CarbonylContact C-O 3.58Å; S547-L554 WeakPolarHBondContact CA-O 3.46Å; S547-T555 PolarHBondContact OG-OG1 3.32Å
548F93.8Very high93.5Very high30 Ų3056.6 Ų56.613%0.13231%0.312CS..EExtended strand (participates in β ladder)trans-121.2135.1-179.6-56.6-74.8000110.8I507 W508 W511 Y537 V546 L554 V556I507-F548 HydrophobicContact CG2-CD1 3.44Å; I507-F548 VanDerWaalsContact CG2-CD1 3.44Å; I507-F548 HydrophobicContact CG2-CD2 4.43Å; I507-F548 HydrophobicContact CG2-CE1 3.46Å; I507-F548 VanDerWaalsContact CG2-CE1 3.46Å; I507-F548 HydrophobicContact CG2-CE2 4.43Å; I507-F548 HydrophobicContact CG2-CG 3.96Å; I507-F548 HydrophobicContact CG2-CZ 3.97Å; W508-F548 HydrophobicContact CB-CB 4.49Å; W511-F548 AromaticContact CD1-CD2 3.63Å; W511-F548 AromaticContact CD1-CE2 3.84Å; W511-F548 HydrophobicContact CG-CD2 4.43Å; W511-F548 AromaticContact NE1-CD2 3.94Å; W511-F548 AromaticContact NE1-CE2 3.64Å; Y537-F548 WeakPolarHBondContact O-CZ 3.42Å; V546-F548 HydrophobicContact CB-CE2 4.26Å; V546-F548 HydrophobicContact CB-CZ 4.08Å; V546-F548 HydrophobicContact CG1-CD1 4.43Å; V546-F548 HydrophobicContact CG1-CE1 3.75Å; V546-F548 HydrophobicContact CG1-CE2 4.05Å; V546-F548 HydrophobicContact CG1-CZ 3.54Å; F548-L554 PolarHBondContact N-O 3.44Å; F548-L554 PolarHBondContact O-N 3.02Å; F548-V556 HydrophobicContact CD2-CG2 3.93Å; F548-V556 HydrophobicContact CE2-CB 4.06Å; F548-V556 HydrophobicContact CE2-CG2 3.83Å
549G89.8Confident93.5Very high27 Ų2758.3 Ų58.328%0.27832%0.323SS..  trans71.3178.3179.300000114.9
550D84Confident93.7Very high132 Ų13261.5 Ų61.571%0.70634%0.338SS*.SBendtrans-111.7-43.8-170.9-63.8-29.3000113.2I553D550-I553 WeakPolarHBondContact O-CG1 3.44Å
551K86.2Confident93.9Very high169 Ų16962.1 Ų62.174%0.73533%0.332SS*.THydrogen-bonded Turntrans-151.897.8180-69.1-175.1-175.6171.80111.5
552P87.5Confident94Very high13 Ų1360.4 Ų60.48%0.08432%0.323CS..THydrogen-bonded Turncis-77141.80.831-32.7000112.4W508 N576 K578W508-P552 PolarHBondContact NE1-O 3.39Å; P552-N576 VanDerWaalsContact CB-OD1 3.27Å; P552-N576 WeakPolarHBondContact CB-OD1 3.27Å; P552-K578 HydrophobicContact CB-CD 4.07Å; P552-K578 HydrophobicContact CB-CG 4.04Å
553I92.1Very high94Very high67 Ų6761.5 Ų61.534%0.34433%0.326SS..  trans-71.7128.1160.3-50.3-175.8000107.8D550 S577D550-I553 WeakPolarHBondContact O-CG1 3.44Å; I553-S577 PolarHBondContact N-OG 3.42Å; I553-S577 WeakPolarHBondContact O-CB 3.45Å; I553-S577 PolarHBondContact O-N 3.01Å; I553-S577 PolarHBondContact O-OG 3.46Å
554L95.3Very high94Very high1 Ų157.9 Ų57.91%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-111.3120.2172.3-62.1179.3000109W511 R512 V515 S547 F548 S575 N576W511-L554 VanDerWaalsContact C-CD1 3.42Å; W511-L554 HydrophobicContact CB-CD1 3.68Å; R512-L554 HydrophobicContact CB-CD1 4.37Å; R512-L554 HydrophobicContact CG-CD1 3.78Å; V515-L554 HydrophobicContact CG2-CD1 4.39Å; V515-L554 HydrophobicContact CG2-CD2 4.18Å; S547-L554 CarbonylContact C-O 3.58Å; S547-L554 WeakPolarHBondContact CA-O 3.46Å; F548-L554 PolarHBondContact N-O 3.44Å; F548-L554 PolarHBondContact O-N 3.02Å; L554-S575 WeakPolarHBondContact CA-O 3.45Å; L554-N576 HydrophobicContact CD2-CB 3.76Å
555T96Very high93.8Very high42 Ų4259 Ų5926%0.25832%0.323SS..EExtended strand (participates in β ladder)trans-104.4121.6177.9-540000109.8V546 S547 V574 S575V546-T555 WeakPolarHBondContact O-CA 3.48Å; S547-T555 PolarHBondContact OG-OG1 3.32Å; T555-V574 WeakPolarHBondContact O-CA 3.2Å; T555-S575 WeakPolarHBondContact CB-OG 3.37Å; T555-S575 PolarHBondContact N-O 3.22Å; T555-S575 PolarHBondContact O-N 2.83Å; T555-S575 PolarHBondContact O-OG 3.1Å
556V97.6Very high93.8Very high0 Ų059.7 Ų59.70%032%0.32CS..EExtended strand (participates in β ladder)trans-109.5126-179.8-177.80000108.1W511 P539 G545 V546 F548 F572 N573 V574W511-V556 HydrophobicContact CD2-CG2 3.52Å; W511-V556 HydrophobicContact CE3-CG2 3.9Å; W511-V556 HydrophobicContact CG-CG2 3.93Å; W511-V556 HydrophobicContact CH2-CG1 3.71Å; W511-V556 HydrophobicContact CH2-CG2 4.21Å; W511-V556 HydrophobicContact CZ2-CB 4.31Å; W511-V556 HydrophobicContact CZ2-CG1 3.6Å; W511-V556 HydrophobicContact CZ2-CG2 3.87Å; W511-V556 HydrophobicContact CZ3-CG1 4.34Å; W511-V556 HydrophobicContact CZ3-CG2 4.23Å; P539-V556 HydrophobicContact CG-CG1 4.39Å; P539-V556 WeakPolarHBondContact CG-O 3.42Å; G545-V556 CarbonylContact C-O 3.55Å; G545-V556 WeakPolarHBondContact CA-O 3.19Å; V546-V556 PolarHBondContact N-O 3.39Å; V546-V556 PolarHBondContact O-N 2.94Å; F548-V556 HydrophobicContact CD2-CG2 3.93Å; F548-V556 HydrophobicContact CE2-CB 4.06Å; F548-V556 HydrophobicContact CE2-CG2 3.83Å; V556-F572 HydrophobicContact CG1-CB 4.11Å; V556-F572 HydrophobicContact CG1-CD1 3.96Å; V556-F572 HydrophobicContact CG1-CG 4.2Å; V556-N573 WeakPolarHBondContact CA-O 3.34Å; V556-V574 HydrophobicContact CG1-CG2 4.49Å; V556-V574 HydrophobicContact CG2-CG1 4.34Å; V556-V574 HydrophobicContact CG2-CG2 4.38Å
557Q97.6Very high93.8Very high65 Ų6558.2 Ų58.230%0.30431%0.309SS..EExtended strand (participates in β ladder)trans-123123.3178.3-175.4-176.139.800109.5N543 V559 F572 N573N543-Q557 PolarHBondContact O-NE2 3.11Å; Q557-V559 HydrophobicContact CG-CG1 4.16Å; Q557-V559 PolarHBondContact O-N 3.12Å; Q557-F572 CarbonylContact O-C 3.58Å; Q557-F572 VanDerWaalsContact O-CA 3.24Å; Q557-F572 WeakPolarHBondContact O-CA 3.43Å; Q557-N573 HydrophobicContact CB-CB 4.46Å; Q557-N573 PolarHBondContact N-O 2.63Å; Q557-N573 PolarHBondContact O-N 2.9Å
558K97.8Very high93.8Very high7 Ų755.4 Ų55.43%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-75.4116.1173.3-172.8170.565.8171.30109P539 A540 L542 N543 E561 R570 F572P539-K558 HydrophobicContact CB-CB 4.31Å; P539-K558 WeakPolarHBondContact O-CE 3.23Å; A540-K558 WeakPolarHBondContact O-CE 3.48Å; A540-K558 PolarHBondContact O-NZ 2.88Å; L542-K558 HydrophobicContact CD1-CG 4.37Å; N543-K558 WeakPolarHBondContact CA-O 3.42Å; N543-K558 PolarHBondContact N-O 3.38Å; K558-E561 HydrophobicContact CD-CB 4.49Å; K558-E561 IonicContact NZ-OE1 2.73Å; K558-E561 PolarHBondContact NZ-OE1 3.45Å; K558-E561 IonicContact NZ-OE2 2.7Å; K558-E561 PolarHBondContact NZ-OE2 3.39Å; K558-R570 HydrophobicContact CD-CG 4.49Å; K558-F572 HydrophobicContact CB-CD1 3.92Å; K558-F572 HydrophobicContact CB-CE1 3.77Å; K558-F572 HydrophobicContact CD-CE1 4.14Å; K558-F572 HydrophobicContact CG-CD1 4.22Å; K558-F572 HydrophobicContact CG-CE1 3.8Å
559V97.7Very high94Very high43 Ų4355 Ų5526%0.26129%0.287SS..EExtended strand (participates in β ladder)trans-109.7-12.5-176.6-63.10000113.4L542 Q557 K571 N573L542-V559 VanDerWaalsContact CD1-C 3.49Å; Q557-V559 HydrophobicContact CG-CG1 4.16Å; Q557-V559 PolarHBondContact O-N 3.12Å; V559-K571 HydrophobicContact CG2-CB 3.9Å; V559-K571 WeakPolarHBondContact CG2-O 3.43Å; V559-K571 PolarHBondContact N-O 2.95Å; V559-N573 HydrophobicContact CG1-CB 4.17Å
560H97.7Very high94.4Very high69 Ų6954 Ų5432%0.31927%0.274SS..EExtended strand (participates in β ladder)trans-154.6147.3177.4-173.669.7000110.6R570 K571H560-R570 VanDerWaalsContact O-CA 3.3Å; H560-R570 WeakPolarHBondContact O-CA 3.34Å; H560-K571 HydrophobicContact CB-CB 3.83Å; H560-K571 HydrophobicContact CB-CD 4.02Å; H560-K571 HydrophobicContact CB-CG 3.97Å; H560-K571 PolarHBondContact N-O 3.44Å; H560-K571 PolarHBondContact O-N 2.9Å
561E97.4Very high95.1Very high69 Ų6951.9 Ų51.932%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-148.1129.2173.2-176.2164.886.700108.8K558 H563 I568 F569 R570K558-E561 HydrophobicContact CD-CB 4.49Å; K558-E561 IonicContact NZ-OE1 2.73Å; K558-E561 PolarHBondContact NZ-OE1 3.45Å; K558-E561 IonicContact NZ-OE2 2.7Å; K558-E561 PolarHBondContact NZ-OE2 3.39Å; E561-H563 IonicContact OE1-NE2 3.88Å; E561-I568 HydrophobicContact CG-CG2 3.93Å; E561-F569 CarbonylContact C-O 3.45Å; E561-F569 WeakPolarHBondContact CA-O 3.33Å; E561-R570 HydrophobicContact CB-CG 4.42Å; E561-R570 HydrophobicContact CG-CG 4.11Å; E561-R570 WeakPolarHBondContact OE2-CD 3.4Å; E561-R570 IonicContact OE2-CZ 3.86Å; E561-R570 IonicContact OE2-NE 3.19Å; E561-R570 PolarHBondContact OE2-NE 2.95Å; E561-R570 IonicContact OE2-NH2 2.79Å; E561-R570 PolarHBondContact OE2-NH2 3.34Å
562E96.5Very high95.7Very high97 Ų9743.8 Ų43.845%0.45322%0.224SC..EExtended strand (participates in β ladder)trans-133130.3-179.5-179.9-177.7-177.200108.7I568 F569E562-I568 CarbonylContact O-C 3.55Å; E562-I568 WeakPolarHBondContact O-CA 3.34Å; E562-I568 WeakPolarHBondContact O-CG2 3.18Å; E562-F569 HydrophobicContact CB-CB 4.49Å; E562-F569 PolarHBondContact N-O 2.78Å; E562-F569 PolarHBondContact O-N 3.1Å
563H95.7Very high96.1Very high119 Ų11944.9 Ų44.955%0.55123%0.229SC*.EExtended strand (participates in β ladder)trans-102.6117.2179.7-72.8-120000109.3E561E561-H563 IonicContact OE1-NE2 3.88Å
564T93.6Very high96.4Very high22 Ų2241.8 Ų41.814%0.13521%0.213CC..  trans-104.4167.4168.978.20000109.4N566 Y567T564-N566 PolarHBondContact O-N 3.34Å; T564-Y567 CarbonylContact C-O 3.38Å; T564-Y567 WeakPolarHBondContact CA-O 3.11Å; T564-Y567 HydrophobicContact CG2-CD2 4.04Å; T564-Y567 HydrophobicContact CG2-CE1 4.41Å; T564-Y567 HydrophobicContact CG2-CE2 3.5Å; T564-Y567 VanDerWaalsContact CG2-CE2 3.5Å; T564-Y567 PolarHBondContact N-O 3.49Å; T564-Y567 VanDerWaalsContact O-O 3.05Å; T564-Y567 WeakPolarHBondContact OG1-CD1 3.16Å; T564-Y567 WeakPolarHBondContact OG1-CD2 3.03Å; T564-Y567 VanDerWaalsContact OG1-CG 3.3Å; T564-Y567 PolarHBondContact OG1-N 2.58Å; T564-Y567 PolarHBondContact OG1-O 3.01Å
565P90.8Very high96.3Very high121 Ų12143.9 Ų43.979%0.78623%0.228SC*.SBendtrans-57.2-39175.4-26.736.2000112.8
566N91.7Very high96.1Very high45 Ų4542.7 Ų42.724%0.24122%0.22CC..SBendtrans-98.9-25-169.6-57.6-24.5000113.4T564 F590 K591T564-N566 PolarHBondContact O-N 3.34Å; N566-F590 WeakPolarHBondContact O-CD2 3.33Å; N566-K591 PolarHBondContact O-N 2.89Å
567Y95Very high95.7Very high15 Ų1546.4 Ų46.46%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-149.6169.3-178.358.6-95.5000113T564 F569 F588 S589 D627 L628 K631T564-Y567 CarbonylContact C-O 3.38Å; T564-Y567 WeakPolarHBondContact CA-O 3.11Å; T564-Y567 HydrophobicContact CG2-CD2 4.04Å; T564-Y567 HydrophobicContact CG2-CE1 4.41Å; T564-Y567 HydrophobicContact CG2-CE2 3.5Å; T564-Y567 VanDerWaalsContact CG2-CE2 3.5Å; T564-Y567 PolarHBondContact N-O 3.49Å; T564-Y567 VanDerWaalsContact O-O 3.05Å; T564-Y567 WeakPolarHBondContact OG1-CD1 3.16Å; T564-Y567 WeakPolarHBondContact OG1-CD2 3.03Å; T564-Y567 VanDerWaalsContact OG1-CG 3.3Å; T564-Y567 PolarHBondContact OG1-N 2.58Å; T564-Y567 PolarHBondContact OG1-O 3.01Å; Y567-F569 HydrophobicContact CD2-CB 4.17Å; Y567-F569 HydrophobicContact CE2-CB 4.03Å; Y567-F588 AromaticContact CD2-CD1 3.81Å; Y567-F588 HydrophobicContact CD2-CD1 3.81Å; Y567-F588 AromaticContact CE2-CD1 3.8Å; Y567-F588 HydrophobicContact CE2-CD1 3.8Å; Y567-F588 HydrophobicContact CE2-CE1 4.04Å; Y567-F588 HydrophobicContact CG-CD1 4.43Å; Y567-S589 CarbonylContact C-O 3.53Å; Y567-S589 WeakPolarHBondContact CA-O 3.48Å; Y567-S589 VanDerWaalsContact CB-O 3.31Å; Y567-S589 WeakPolarHBondContact CB-O 3.22Å; Y567-D627 WeakPolarHBondContact CE1-OD2 3.37Å; Y567-L628 HydrophobicContact CD1-CD1 4.42Å; Y567-K631 HydrophobicContact CE1-CG 4.41Å; Y567-K631 WeakPolarHBondContact OH-CG 3.44Å
568I96.9Very high95Very high11 Ų1150.1 Ų50.16%0.05626%0.261CS..EExtended strand (participates in β ladder)trans-111.3128.6163.4-62.9157.7000107.2E561 E562 R570 F588 S589E561-I568 HydrophobicContact CG-CG2 3.93Å; E562-I568 CarbonylContact O-C 3.55Å; E562-I568 WeakPolarHBondContact O-CA 3.34Å; E562-I568 WeakPolarHBondContact O-CG2 3.18Å; I568-R570 HydrophobicContact CG2-CG 4.02Å; I568-F588 CarbonylContact O-C 3.56Å; I568-F588 WeakPolarHBondContact O-CA 3.4Å; I568-S589 PolarHBondContact N-O 2.85Å; I568-S589 PolarHBondContact O-N 3.15Å
569F97.9Very high94.2Very high21 Ų2153.9 Ų53.99%0.09228%0.279CS..EExtended strand (participates in β ladder)trans-101.8129.3173.4-179.9-121.9000110.3E561 E562 Y567 K571 M587 F588E561-F569 CarbonylContact C-O 3.45Å; E561-F569 WeakPolarHBondContact CA-O 3.33Å; E562-F569 HydrophobicContact CB-CB 4.49Å; E562-F569 PolarHBondContact N-O 2.78Å; E562-F569 PolarHBondContact O-N 3.1Å; Y567-F569 HydrophobicContact CD2-CB 4.17Å; Y567-F569 HydrophobicContact CE2-CB 4.03Å; F569-K571 HydrophobicContact CE1-CD 4.26Å; F569-K571 HydrophobicContact CE1-CG 3.87Å; F569-K571 HydrophobicContact CZ-CG 3.9Å; F569-M587 CarbonylContact C-O 3.55Å; F569-M587 WeakPolarHBondContact CA-O 3.36Å; F569-M587 WeakPolarHBondContact CD2-O 3.23Å; F569-F588 HydrophobicContact CB-CD1 4.3Å; F569-F588 HydrophobicContact CB-CE1 4.38Å; F569-F588 AromaticContact CD2-CD1 3.64Å; F569-F588 HydrophobicContact CD2-CD1 3.64Å; F569-F588 HydrophobicContact CD2-CD2 4.21Å; F569-F588 AromaticContact CD2-CE1 3.45Å; F569-F588 HydrophobicContact CD2-CE1 3.45Å; F569-F588 VanDerWaalsContact CD2-CE1 3.45Å; F569-F588 HydrophobicContact CD2-CE2 4.07Å; F569-F588 HydrophobicContact CD2-CG 4.03Å; F569-F588 AromaticContact CD2-CZ 3.69Å; F569-F588 HydrophobicContact CD2-CZ 3.69Å; F569-F588 HydrophobicContact CE2-CD1 4.4Å; F569-F588 HydrophobicContact CE2-CD2 4.33Å; F569-F588 AromaticContact CE2-CE1 3.92Å; F569-F588 HydrophobicContact CE2-CE1 3.92Å; F569-F588 AromaticContact CE2-CE2 3.87Å; F569-F588 HydrophobicContact CE2-CE2 3.87Å; F569-F588 AromaticContact CE2-CZ 3.64Å; F569-F588 HydrophobicContact CE2-CZ 3.64Å; F569-F588 HydrophobicContact CG-CD1 4.3Å; F569-F588 HydrophobicContact CG-CE1 4.05Å; F569-F588 HydrophobicContact CZ-CZ 4.46Å
570R98Very high93.2Very high5 Ų560.3 Ų60.32%0.01931%0.312CS..EExtended strand (participates in β ladder)trans-124.1146.7178-61.8-179.9177.5110.5-7.4110.2E528 K558 H560 E561 I568 F572 G586 M587 S589E528-R570 IonicContact OE1-NH2 3.75Å; E528-R570 IonicContact OE2-CZ 3.65Å; E528-R570 IonicContact OE2-NH1 2.7Å; E528-R570 IonicContact OE2-NH2 3.25Å; E528-R570 PolarHBondContact OE2-NH2 3.09Å; K558-R570 HydrophobicContact CD-CG 4.49Å; H560-R570 VanDerWaalsContact O-CA 3.3Å; H560-R570 WeakPolarHBondContact O-CA 3.34Å; E561-R570 HydrophobicContact CB-CG 4.42Å; E561-R570 HydrophobicContact CG-CG 4.11Å; E561-R570 WeakPolarHBondContact OE2-CD 3.4Å; E561-R570 IonicContact OE2-CZ 3.86Å; E561-R570 IonicContact OE2-NE 3.19Å; E561-R570 PolarHBondContact OE2-NE 2.95Å; E561-R570 IonicContact OE2-NH2 2.79Å; E561-R570 PolarHBondContact OE2-NH2 3.34Å; I568-R570 HydrophobicContact CG2-CG 4.02Å; R570-F572 HydrophobicContact CB-CE1 4.37Å; R570-F572 HydrophobicContact CB-CE2 3.78Å; R570-F572 HydrophobicContact CB-CZ 3.64Å; R570-F572 HydrophobicContact CG-CZ 4.36Å; R570-G586 CarbonylContact O-C 3.55Å; R570-G586 VanDerWaalsContact O-CA 3.25Å; R570-G586 WeakPolarHBondContact O-CA 3.45Å; R570-M587 HydrophobicContact CB-CB 4.48Å; R570-M587 PolarHBondContact N-O 2.96Å; R570-M587 PolarHBondContact O-N 3.29Å; R570-S589 PolarHBondContact NH1-OG 2.8Å; R570-S589 VanDerWaalsContact NH1-OG 3.11Å
571K98Very high92.6Very high88 Ų8862.6 Ų62.638%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-116.6137.8167.5-55.9177.2-174.9172.70109.7V559 H560 F569 V585V559-K571 HydrophobicContact CG2-CB 3.9Å; V559-K571 WeakPolarHBondContact CG2-O 3.43Å; V559-K571 PolarHBondContact N-O 2.95Å; H560-K571 HydrophobicContact CB-CB 3.83Å; H560-K571 HydrophobicContact CB-CD 4.02Å; H560-K571 HydrophobicContact CB-CG 3.97Å; H560-K571 PolarHBondContact N-O 3.44Å; H560-K571 PolarHBondContact O-N 2.9Å; F569-K571 HydrophobicContact CE1-CD 4.26Å; F569-K571 HydrophobicContact CE1-CG 3.87Å; F569-K571 HydrophobicContact CZ-CG 3.9Å; K571-V585 CarbonylContact C-O 3.54Å; K571-V585 WeakPolarHBondContact CA-O 3.29Å
572F98.3Very high92.3Very high0 Ų064.1 Ų64.10%033%0.332CS..EExtended strand (participates in β ladder)trans-123.6138.5179.4-55-74.6000110.4W511 W538 V556 Q557 K558 R570 V574 K584 V585 M587W511-F572 HydrophobicContact CH2-CD2 4.32Å; W511-F572 HydrophobicContact CH2-CG 4.44Å; W538-F572 HydrophobicContact CB-CE1 3.73Å; W538-F572 HydrophobicContact CB-CZ 3.78Å; W538-F572 HydrophobicContact CG-CE1 4.16Å; W538-F572 AromaticContact CG-CZ 3.94Å; W538-F572 HydrophobicContact CG-CZ 3.94Å; V556-F572 HydrophobicContact CG1-CB 4.11Å; V556-F572 HydrophobicContact CG1-CD1 3.96Å; V556-F572 HydrophobicContact CG1-CG 4.2Å; Q557-F572 CarbonylContact O-C 3.58Å; Q557-F572 VanDerWaalsContact O-CA 3.24Å; Q557-F572 WeakPolarHBondContact O-CA 3.43Å; K558-F572 HydrophobicContact CB-CD1 3.92Å; K558-F572 HydrophobicContact CB-CE1 3.77Å; K558-F572 HydrophobicContact CD-CE1 4.14Å; K558-F572 HydrophobicContact CG-CD1 4.22Å; K558-F572 HydrophobicContact CG-CE1 3.8Å; R570-F572 HydrophobicContact CB-CE1 4.37Å; R570-F572 HydrophobicContact CB-CE2 3.78Å; R570-F572 HydrophobicContact CB-CZ 3.64Å; R570-F572 HydrophobicContact CG-CZ 4.36Å; F572-V574 HydrophobicContact CB-CG2 4.42Å; F572-K584 WeakPolarHBondContact O-CA 3.36Å; F572-V585 HydrophobicContact CB-CB 4.43Å; F572-V585 PolarHBondContact N-O 3.29Å; F572-V585 PolarHBondContact O-N 3.05Å; F572-M587 HydrophobicContact CD2-CB 4.34Å; F572-M587 HydrophobicContact CE2-CB 3.64Å; F572-M587 HydrophobicContact CE2-CE 4.01Å; F572-M587 HydrophobicContact CE2-CG 4.43Å; F572-M587 HydrophobicContact CE2-SD 3.88Å; F572-M587 HydrophobicContact CZ-CE 3.95Å; F572-M587 HydrophobicContact CZ-SD 4.34Å
573N97.3Very high92.1Very high36 Ų3661.7 Ų61.719%0.19332%0.319CS..EExtended strand (participates in β ladder)trans-94.6124.8161.2-79.2-7.8000107.7V556 Q557 V559 L582V556-N573 WeakPolarHBondContact CA-O 3.34Å; Q557-N573 HydrophobicContact CB-CB 4.46Å; Q557-N573 PolarHBondContact N-O 2.63Å; Q557-N573 PolarHBondContact O-N 2.9Å; V559-N573 HydrophobicContact CG1-CB 4.17Å; N573-L582 HydrophobicContact CB-CD1 3.93Å; N573-L582 HydrophobicContact CB-CG 4.37Å
574V96.8Very high92.1Very high2 Ų262.1 Ų62.11%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-116.1124.9178.4-172.60000108.2W511 V515 T555 V556 F572 R583 V585W511-V574 HydrophobicContact CE3-CG1 4.37Å; W511-V574 HydrophobicContact CE3-CG2 4Å; W511-V574 HydrophobicContact CH2-CG2 4.39Å; W511-V574 HydrophobicContact CZ3-CG2 3.6Å; V515-V574 HydrophobicContact CG2-CG1 3.79Å; T555-V574 WeakPolarHBondContact O-CA 3.2Å; V556-V574 HydrophobicContact CG1-CG2 4.49Å; V556-V574 HydrophobicContact CG2-CG1 4.34Å; V556-V574 HydrophobicContact CG2-CG2 4.38Å; F572-V574 HydrophobicContact CB-CG2 4.42Å; V574-R583 HydrophobicContact CB-CB 4.41Å; V574-R583 PolarHBondContact N-O 3.3Å; V574-R583 PolarHBondContact O-N 3.37Å; V574-V585 HydrophobicContact CG2-CB 4.41Å; V574-V585 HydrophobicContact CG2-CG2 3.76Å
575S94.4Very high92.3Very high45 Ų4561.1 Ų61.132%0.31531%0.313SS..EExtended strand (participates in β ladder)trans-120.5143.3177.956.30000110.5L554 T555L554-S575 WeakPolarHBondContact CA-O 3.45Å; T555-S575 WeakPolarHBondContact CB-OG 3.37Å; T555-S575 PolarHBondContact N-O 3.22Å; T555-S575 PolarHBondContact O-N 2.83Å; T555-S575 PolarHBondContact O-OG 3.1Å
576N91.9Very high92.6Very high17 Ų1755.4 Ų55.49%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-114122.6-177.2177.1-4.7000109.5P552 L554 K578 E579P552-N576 VanDerWaalsContact CB-OD1 3.27Å; P552-N576 WeakPolarHBondContact CB-OD1 3.27Å; L554-N576 HydrophobicContact CD2-CB 3.76Å; N576-K578 PolarHBondContact O-N 2.67Å; N576-K578 PolarHBondContact OD1-N 2.86Å; N576-E579 HydrophobicContact CB-CB 4.14Å; N576-E579 CarbonylContact O-C 3.54Å; N576-E579 PolarHBondContact O-N 2.98Å
577S88.3Confident92.9Very high77 Ų7753.2 Ų53.254%0.53826%0.264SS..THydrogen-bonded Turntrans-56.9-20.217852.10000115.3I553I553-S577 PolarHBondContact N-OG 3.42Å; I553-S577 WeakPolarHBondContact O-CB 3.45Å; I553-S577 PolarHBondContact O-N 3.01Å; I553-S577 PolarHBondContact O-OG 3.46Å
578K84.2Confident93.1Very high144 Ų14453 Ų5363%0.62626%0.263SS*.THydrogen-bonded Turntrans-90.9-24.7174.8-72-176.2179.2-178.80114.1P552 N576P552-K578 HydrophobicContact CB-CD 4.07Å; P552-K578 HydrophobicContact CB-CG 4.04Å; N576-K578 PolarHBondContact O-N 2.67Å; N576-K578 PolarHBondContact OD1-N 2.86Å
579E80.1Confident93.1Very high85 Ų8552.7 Ų52.740%0.39726%0.263SS..EExtended strand (participates in β ladder)trans-125.1119.9-173.9-64.6174.2-176.600108.9N576 E581 R583N576-E579 HydrophobicContact CB-CB 4.14Å; N576-E579 CarbonylContact O-C 3.54Å; N576-E579 PolarHBondContact O-N 2.98Å; E579-E581 PolarHBondContact O-N 3.33Å; E579-R583 IonicContact OE2-NH2 2.94Å; E579-R583 PolarHBondContact OE2-NH2 2.85Å
580N77.3Confident93Very high179 Ų17951.8 Ų51.896%0.95726%0.258SS*.EExtended strand (participates in β ladder)trans-71.827.8177-83.1-20.6000113.5
581E84.4Confident92.7Very high116 Ų11655.2 Ų55.254%0.54227%0.274SS..EExtended strand (participates in β ladder)trans-98.5128.6176.9-67.9-167.1161.400111E579 R583E579-E581 PolarHBondContact O-N 3.33Å; E581-R583 IonicContact OE2-CZ 3.74Å; E581-R583 IonicContact OE2-NH1 2.87Å; E581-R583 IonicContact OE2-NH2 2.66Å; E581-R583 PolarHBondContact OE2-NH2 3.34Å
582L90.5Very high92.2Very high101 Ų10152.6 Ų52.653%0.52926%0.264SS..EExtended strand (participates in β ladder)trans-92.4114.2172-17173.5000109.3N573N573-L582 HydrophobicContact CB-CD1 3.93Å; N573-L582 HydrophobicContact CB-CG 4.37Å
583R92.9Very high91.7Very high47 Ų4753 Ų5318%0.17727%0.265CS..EExtended strand (participates in β ladder)trans-93.9135.7177-61.2-171.1-169.8-75.6-17.4110.8N518 V574 E579 E581N518-R583 PolarHBondContact OD1-NH1 3.47Å; V574-R583 HydrophobicContact CB-CB 4.41Å; V574-R583 PolarHBondContact N-O 3.3Å; V574-R583 PolarHBondContact O-N 3.37Å; E579-R583 IonicContact OE2-NH2 2.94Å; E579-R583 PolarHBondContact OE2-NH2 2.85Å; E581-R583 IonicContact OE2-CZ 3.74Å; E581-R583 IonicContact OE2-NH1 2.87Å; E581-R583 IonicContact OE2-NH2 2.66Å; E581-R583 PolarHBondContact OE2-NH2 3.34Å
584K95.6Very high91Very high128 Ų12852.9 Ų52.956%0.55727%0.267SS*.EExtended strand (participates in β ladder)trans-100.7109.7176.6-67.8178.7-177.7173.10109.8F572 Y639F572-K584 WeakPolarHBondContact O-CA 3.36Å; K584-Y639 HydrophobicContact CB-CE1 4.46Å
585V97.8Very high89.6Confident1 Ų157.5 Ų57.51%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-110.5136.4-178.5-173.80000109.1I514 I522 K571 F572 V574I514-V585 HydrophobicContact CG2-CG1 4.35Å; I514-V585 HydrophobicContact CG2-CG2 3.84Å; I522-V585 HydrophobicContact CD1-CG1 3.59Å; I522-V585 HydrophobicContact CG1-CG1 3.83Å; K571-V585 CarbonylContact C-O 3.54Å; K571-V585 WeakPolarHBondContact CA-O 3.29Å; F572-V585 HydrophobicContact CB-CB 4.43Å; F572-V585 PolarHBondContact N-O 3.29Å; F572-V585 PolarHBondContact O-N 3.05Å; V574-V585 HydrophobicContact CG2-CB 4.41Å; V574-V585 HydrophobicContact CG2-CG2 3.76Å
586G98.1Very high87.9Confident0 Ų060.1 Ų60.10%031%0.31CS..EExtended strand (participates in β ladder)trans-116.7141.6175.300000109.1S520 C521 I522 R570S520-G586 PolarHBondContact O-N 3.36Å; C521-G586 CarbonylContact C-O 3.6Å; C521-G586 WeakPolarHBondContact CA-O 3.38Å; I522-G586 PolarHBondContact N-O 2.8Å; R570-G586 CarbonylContact O-C 3.55Å; R570-G586 VanDerWaalsContact O-CA 3.25Å; R570-G586 WeakPolarHBondContact O-CA 3.45Å
587M98.2Very high85.9Confident0 Ų063.9 Ų63.90%033%0.334CS..EExtended strand (participates in β ladder)trans-129.6126.7-176-175.3175.687.600110.2I522 Y537 W538 F569 R570 F572I522-M587 HydrophobicContact CB-CB 4.09Å; I522-M587 HydrophobicContact CB-CG 3.9Å; I522-M587 HydrophobicContact CG2-CG 3.85Å; I522-M587 HydrophobicContact CG2-SD 4.24Å; I522-M587 CarbonylContact O-C 3.45Å; I522-M587 VanDerWaalsContact O-CA 3.22Å; I522-M587 WeakPolarHBondContact O-CA 3.43Å; Y537-M587 HydrophobicContact CE2-SD 4.02Å; Y537-M587 PolarHBondContact OH-SD 2.95Å; W538-M587 HydrophobicContact CD2-CE 3.97Å; W538-M587 HydrophobicContact CE3-CE 4.1Å; W538-M587 HydrophobicContact CE3-SD 4.47Å; W538-M587 HydrophobicContact CG-CE 4.48Å; W538-M587 HydrophobicContact CH2-CE 4.4Å; W538-M587 HydrophobicContact CZ2-CE 4.28Å; W538-M587 HydrophobicContact CZ3-CE 4.32Å; F569-M587 CarbonylContact C-O 3.55Å; F569-M587 WeakPolarHBondContact CA-O 3.36Å; F569-M587 WeakPolarHBondContact CD2-O 3.23Å; R570-M587 HydrophobicContact CB-CB 4.48Å; R570-M587 PolarHBondContact N-O 2.96Å; R570-M587 PolarHBondContact O-N 3.29Å; F572-M587 HydrophobicContact CD2-CB 4.34Å; F572-M587 HydrophobicContact CE2-CB 3.64Å; F572-M587 HydrophobicContact CE2-CE 4.01Å; F572-M587 HydrophobicContact CE2-CG 4.43Å; F572-M587 HydrophobicContact CE2-SD 3.88Å; F572-M587 HydrophobicContact CZ-CE 3.95Å; F572-M587 HydrophobicContact CZ-SD 4.34Å
588F98.2Very high83.8Confident9 Ų963.8 Ų63.84%0.03934%0.338CS..EExtended strand (participates in β ladder)trans-102115.3171.3-61.9-89.4000109I522 V523 M524 Y567 I568 F569 L628 K631 V632 R635I522-F588 PolarHBondContact O-N 3.24Å; V523-F588 CarbonylContact C-O 3.22Å; V523-F588 WeakPolarHBondContact CA-O 3.44Å; M524-F588 PolarHBondContact N-O 3.17Å; Y567-F588 AromaticContact CD2-CD1 3.81Å; Y567-F588 HydrophobicContact CD2-CD1 3.81Å; Y567-F588 AromaticContact CE2-CD1 3.8Å; Y567-F588 HydrophobicContact CE2-CD1 3.8Å; Y567-F588 HydrophobicContact CE2-CE1 4.04Å; Y567-F588 HydrophobicContact CG-CD1 4.43Å; I568-F588 CarbonylContact O-C 3.56Å; I568-F588 WeakPolarHBondContact O-CA 3.4Å; F569-F588 HydrophobicContact CB-CD1 4.3Å; F569-F588 HydrophobicContact CB-CE1 4.38Å; F569-F588 AromaticContact CD2-CD1 3.64Å; F569-F588 HydrophobicContact CD2-CD1 3.64Å; F569-F588 HydrophobicContact CD2-CD2 4.21Å; F569-F588 AromaticContact CD2-CE1 3.45Å; F569-F588 HydrophobicContact CD2-CE1 3.45Å; F569-F588 VanDerWaalsContact CD2-CE1 3.45Å; F569-F588 HydrophobicContact CD2-CE2 4.07Å; F569-F588 HydrophobicContact CD2-CG 4.03Å; F569-F588 AromaticContact CD2-CZ 3.69Å; F569-F588 HydrophobicContact CD2-CZ 3.69Å; F569-F588 HydrophobicContact CE2-CD1 4.4Å; F569-F588 HydrophobicContact CE2-CD2 4.33Å; F569-F588 AromaticContact CE2-CE1 3.92Å; F569-F588 HydrophobicContact CE2-CE1 3.92Å; F569-F588 AromaticContact CE2-CE2 3.87Å; F569-F588 HydrophobicContact CE2-CE2 3.87Å; F569-F588 AromaticContact CE2-CZ 3.64Å; F569-F588 HydrophobicContact CE2-CZ 3.64Å; F569-F588 HydrophobicContact CG-CD1 4.3Å; F569-F588 HydrophobicContact CG-CE1 4.05Å; F569-F588 HydrophobicContact CZ-CZ 4.46Å; F588-L628 HydrophobicContact CB-CD1 3.58Å; F588-L628 HydrophobicContact CD1-CD1 4.23Å; F588-L628 HydrophobicContact CG-CD1 4.04Å; F588-K631 HydrophobicContact CE1-CB 3.75Å; F588-K631 HydrophobicContact CZ-CB 3.96Å; F588-V632 HydrophobicContact CD2-CG2 3.64Å; F588-V632 HydrophobicContact CE2-CG2 3.94Å; F588-V632 HydrophobicContact CG-CG2 4.16Å; F588-R635 HydrophobicContact CE2-CB 4.27Å; F588-R635 HydrophobicContact CZ-CB 4.48Å
589S97.1Very high81.5Confident6 Ų660.7 Ų60.74%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-98100.7173.2-59.60000109.5M524 Y567 I568 R570M524-S589 CarbonylContact O-C 3.53Å; M524-S589 WeakPolarHBondContact O-CA 3.49Å; Y567-S589 CarbonylContact C-O 3.53Å; Y567-S589 WeakPolarHBondContact CA-O 3.48Å; Y567-S589 VanDerWaalsContact CB-O 3.31Å; Y567-S589 WeakPolarHBondContact CB-O 3.22Å; I568-S589 PolarHBondContact N-O 2.85Å; I568-S589 PolarHBondContact O-N 3.15Å; R570-S589 PolarHBondContact NH1-OG 2.8Å; R570-S589 VanDerWaalsContact NH1-OG 3.11Å
590F96.1Very high79.1Confident1 Ų162 Ų620%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-74.9136.5-179.4-173.3-119.5000111.2M524 L525 N566 D592 W593 P619 L628M524-F590 PolarHBondContact O-N 3.25Å; L525-F590 HydrophobicContact CD2-CB 3.83Å; L525-F590 HydrophobicContact CD2-CD1 4.25Å; L525-F590 HydrophobicContact CD2-CG 4.39Å; N566-F590 WeakPolarHBondContact O-CD2 3.33Å; F590-D592 HydrophobicContact CE1-CB 4.32Å; F590-D592 WeakPolarHBondContact CE1-O 3.47Å; F590-D592 HydrophobicContact CE2-CB 3.9Å; F590-D592 HydrophobicContact CZ-CB 3.65Å; F590-W593 AromaticContact CD1-CD1 4Å; F590-W593 HydrophobicContact CD1-CD2 4.39Å; F590-W593 AromaticContact CD1-CE2 3.56Å; F590-W593 AromaticContact CD1-CZ2 3.8Å; F590-W593 HydrophobicContact CD1-CZ2 3.8Å; F590-W593 AromaticContact CD1-NE1 3.35Å; F590-W593 VanDerWaalsContact CD1-NE1 3.35Å; F590-W593 HydrophobicContact CE1-CD2 4.27Å; F590-W593 AromaticContact CE1-CE2 3.83Å; F590-W593 HydrophobicContact CE1-CZ2 4.07Å; F590-W593 AromaticContact CE1-NE1 3.94Å; F590-P619 HydrophobicContact CE1-CB 4.24Å; F590-P619 HydrophobicContact CE1-CG 4.37Å; F590-P619 HydrophobicContact CZ-CB 4.27Å; F590-L628 HydrophobicContact CB-CD2 3.75Å; F590-L628 HydrophobicContact CD1-CD2 4.48Å; F590-L628 HydrophobicContact CD2-CB 4.38Å; F590-L628 HydrophobicContact CD2-CD2 3.72Å; F590-L628 HydrophobicContact CE2-CD2 4.45Å; F590-L628 HydrophobicContact CG-CD2 3.74Å
591K90.2Very high77.2Confident78 Ų7858.7 Ų58.734%0.33933%0.332SS..  trans-113.6-24.1-173.8-67.4172.1172.9162.10114.4N566 W593N566-K591 PolarHBondContact O-N 2.89Å; K591-W593 PolarHBondContact O-N 3.1Å
592D88.8Confident74.6Confident33 Ų3360.2 Ų60.218%0.17635%0.35CS..  trans-85.564-163.6-173.636.7000112.3F590 P619 N620 S621 S624F590-D592 HydrophobicContact CE1-CB 4.32Å; F590-D592 WeakPolarHBondContact CE1-O 3.47Å; F590-D592 HydrophobicContact CE2-CB 3.9Å; F590-D592 HydrophobicContact CZ-CB 3.65Å; D592-P619 WeakPolarHBondContact O-CA 3.49Å; D592-N620 PolarHBondContact O-N 3.49Å; D592-N620 VanDerWaalsContact O-N 3.14Å; D592-N620 WeakPolarHBondContact OD1-CB 3.43Å; D592-N620 PolarHBondContact OD1-ND2 2.95Å; D592-S621 WeakPolarHBondContact OD2-CB 3.29Å; D592-S621 PolarHBondContact OD2-N 3.33Å; D592-S624 VanDerWaalsContact OD2-CB 3.26Å; D592-S624 WeakPolarHBondContact OD2-CB 3.3Å; D592-S624 PolarHBondContact OD2-OG 2.93Å
593W87.9Confident71.9Confident8 Ų858.3 Ų58.33%0.0335%0.354CS..BIsolated β-bridgetrans-101.6146.9173.5-65.9100.6000111.1L525 F590 K591 S617 P619 N620 R655 L658L525-W593 HydrophobicContact CB-CZ2 3.89Å; L525-W593 HydrophobicContact CD1-CZ2 4.38Å; L525-W593 HydrophobicContact CD2-CZ2 4.1Å; L525-W593 HydrophobicContact CG-CZ2 4.34Å; L525-W593 PolarHBondContact O-NE1 3.02Å; F590-W593 AromaticContact CD1-CD1 4Å; F590-W593 HydrophobicContact CD1-CD2 4.39Å; F590-W593 AromaticContact CD1-CE2 3.56Å; F590-W593 AromaticContact CD1-CZ2 3.8Å; F590-W593 HydrophobicContact CD1-CZ2 3.8Å; F590-W593 AromaticContact CD1-NE1 3.35Å; F590-W593 VanDerWaalsContact CD1-NE1 3.35Å; F590-W593 HydrophobicContact CE1-CD2 4.27Å; F590-W593 AromaticContact CE1-CE2 3.83Å; F590-W593 HydrophobicContact CE1-CZ2 4.07Å; F590-W593 AromaticContact CE1-NE1 3.94Å; K591-W593 PolarHBondContact O-N 3.1Å; W593-S617 WeakPolarHBondContact CZ3-O 3.42Å; W593-P619 HydrophobicContact CE3-CG 4.18Å; W593-P619 HydrophobicContact CH2-CG 4.18Å; W593-P619 HydrophobicContact CZ3-CG 3.81Å; W593-N620 PolarHBondContact O-ND2 2.79Å; W593-R655 VanDerWaalsContact CD1-NH1 3.34Å; W593-R655 HydrophobicContact CD2-CG 4.45Å; W593-R655 HydrophobicContact CE3-CG 4.22Å; W593-R655 HydrophobicContact CH2-CB 3.57Å; W593-R655 HydrophobicContact CH2-CG 3.64Å; W593-R655 HydrophobicContact CZ2-CB 3.73Å; W593-R655 HydrophobicContact CZ2-CG 3.87Å; W593-R655 HydrophobicContact CZ3-CB 4.23Å; W593-R655 HydrophobicContact CZ3-CG 3.8Å; W593-L658 HydrophobicContact CZ3-CD2 4.36Å
594S82.5Confident69Low33 Ų3365 Ų6523%0.23139%0.388CS..PPolyproline II helixtrans-63.9133.2165.666.90000108.9D596 L618 N620S594-D596 PolarHBondContact O-N 2.86Å; S594-L618 VanDerWaalsContact CB-O 3.26Å; S594-L618 WeakPolarHBondContact CB-O 3.49Å; S594-L618 PolarHBondContact N-O 3.42Å; S594-L618 PolarHBondContact OG-N 3.48Å; S594-L618 VanDerWaalsContact OG-N 3.09Å; S594-L618 PolarHBondContact OG-O 2.89Å; S594-N620 WeakPolarHBondContact CA-OD1 3.36Å; S594-N620 PolarHBondContact N-OD1 2.82Å
595S67.2Low65.9Low99 Ų9964.5 Ų64.569%0.69240%0.4SS*.PPolyproline II helixtrans-58.2140.2174.4-55.20000110.6V597S595-V597 VanDerWaalsContact C-N 3.3Å; S595-V597 PolarHBondContact O-N 3.5Å
596D59.1Low62.7Low100 Ų10072.2 Ų72.254%0.53544%0.441SS..  trans-63.689.9174.1-65-28.4000109S594 A598S594-D596 PolarHBondContact O-N 2.86Å; D596-A598 VanDerWaalsContact C-N 3.31Å; D596-A598 PolarHBondContact O-N 3.04Å
597V50.4Low59.6Low97 Ų9776.7 Ų76.759%0.58849%0.487SS*.  trans-74.694.5168.4-172.40000106S595 T599S595-V597 VanDerWaalsContact C-N 3.3Å; S595-V597 PolarHBondContact O-N 3.5Å; V597-T599 VanDerWaalsContact C-N 3.32Å; V597-T599 HydrophobicContact CG1-CG2 4.33Å; V597-T599 PolarHBondContact O-N 2.91Å
598A43.1Very low56.4Low75 Ų7579.6 Ų79.662%0.6252%0.517SS*.  trans-62.396.8166.900000108D596 P600D596-A598 VanDerWaalsContact C-N 3.31Å; D596-A598 PolarHBondContact O-N 3.04Å; A598-P600 VanDerWaalsContact O-CD 3.26Å; A598-P600 WeakPolarHBondContact O-CD 3.38Å
599T37Very low53.2Low78 Ų7889 Ų8948%0.47956%0.558SS.*  trans-80115.7167.134.80000108.4V597 V601 V615V597-T599 VanDerWaalsContact C-N 3.32Å; V597-T599 HydrophobicContact CG1-CG2 4.33Å; V597-T599 PolarHBondContact O-N 2.91Å; T599-V601 PolarHBondContact O-N 2.85Å; T599-V615 WeakPolarHBondContact OG1-CG2 3.25Å
600P29.6Very low50Low114 Ų11494 Ų9474%0.7459%0.592SS**  trans-69.1114.6170.826-29.9000108.7A598 V602A598-P600 VanDerWaalsContact O-CD 3.26Å; A598-P600 WeakPolarHBondContact O-CD 3.38Å; P600-V602 PolarHBondContact O-N 3.41Å
601V36.8Very low47Very low108 Ų108101.4 Ų101.466%0.65563%0.631SS**  trans-69.8114.2167.5-179.70000107.4T599 G603T599-V601 PolarHBondContact O-N 2.85Å; V601-G603 VanDerWaalsContact C-N 3.26Å; V601-G603 PolarHBondContact O-N 3.23Å
602V30.5Very low44.2Very low149 Ų149102.7 Ų102.790%0.90365%0.645SS**  trans-7387.1167.8-1740000106.6P600P600-V602 PolarHBondContact O-N 3.41Å
603G33.6Very low41.9Very low61 Ų61105.7 Ų105.763%0.62967%0.665SS**  trans-127.8122.5178.400000109.9V601V601-G603 VanDerWaalsContact C-N 3.26Å; V601-G603 PolarHBondContact O-N 3.23Å
604E30.4Very low40.2Very low188 Ų188109.4 Ų109.488%0.87969%0.689SS**  trans-60.3137-165.6-64.1170.314800114.6D606E604-D606 PolarHBondContact O-N 2.89Å
605S31Very low39.1Very low117 Ų117111.3 Ų111.382%0.81870%0.698SS**  trans6.892.6144.1-40.10000117.9
606D31.9Very low39.3Very low163 Ų163107.6 Ų107.687%0.87267%0.672SS**  -176.3119.9125.1-117.4-14.9000112.7E604 G608E604-D606 PolarHBondContact O-N 2.89Å; D606-G608 VanDerWaalsContact C-N 3.34Å; D606-G608 PolarHBondContact O-N 3.46Å
607G31.9Very low40.3Very low93 Ų93103 Ų10396%0.95965%0.647SS**SBendtrans63.8-8.5141.600000123
608G32Very low42.2Very low61 Ų61100 Ų10063%0.62963%0.628SS**SBendtrans-115.1128.7-178.800000112.4D606 C610D606-G608 VanDerWaalsContact C-N 3.34Å; D606-G608 PolarHBondContact O-N 3.46Å; G608-C610 PolarHBondContact O-N 3.46Å
609K30.5Very low44.6Very low207 Ų20796.8 Ų96.890%0.960%0.601SS**  trans-37.6111.3174.4-77173.8175174.40111.2L611K609-L611 PolarHBondContact O-N 2.91Å
610C28.6Very low47.1Very low111 Ų11198 Ų9875%0.7560%0.604SS**  trans-56.3103.9174.9-173.80000108.8G608 T612G608-C610 PolarHBondContact O-N 3.46Å; C610-T612 PolarHBondContact O-N 3.26Å
611L33.7Very low50.1Low157 Ų15794.6 Ų94.682%0.82258%0.584SS**  trans-68.893.8158.6-90.7134.4000105.2K609 T613K609-L611 PolarHBondContact O-N 2.91Å; L611-T613 VanDerWaalsContact C-N 3.33Å; L611-T613 PolarHBondContact O-N 3.35Å
612T32Very low52.8Low105 Ų10590.4 Ų90.464%0.64456%0.558SS**  trans-56.5103.5163.149.20000106.5C610 T614C610-T612 PolarHBondContact O-N 3.26Å; T612-T614 PolarHBondContact O-N 2.81Å
613T39.7Very low55.8Low95 Ų9586.1 Ų86.158%0.58354%0.538SS*.  trans-7280.3168.252.50000106.4L611 V615L611-T613 VanDerWaalsContact C-N 3.33Å; L611-T613 PolarHBondContact O-N 3.35Å; T613-V615 PolarHBondContact O-N 3.07Å
614T51.9Low58.7Low87 Ų8783.3 Ų83.353%0.53451%0.509SS..PPolyproline II helixtrans-53.6122.2164.929.80000106.8T612T612-T614 PolarHBondContact O-N 2.81Å
615V61Low61.8Low72 Ų7274.5 Ų74.544%0.43647%0.468SS..PPolyproline II helixtrans-51.9125.11721780000106.5T599 T613 S617T599-V615 WeakPolarHBondContact OG1-CG2 3.25Å; T613-V615 PolarHBondContact O-N 3.07Å; V615-S617 PolarHBondContact O-N 2.93Å
616P70.2Confident64.8Low22 Ų2270.2 Ų70.214%0.14344%0.435CS..PPolyproline II helixtrans-58.8136.8-177.526.1-36.5000109.6L618 E654 S694 A696 Q697P616-L618 PolarHBondContact O-N 2.81Å; P616-E654 WeakPolarHBondContact CA-OE1 3.26Å; P616-S694 WeakPolarHBondContact CB-OG 3.47Å; P616-S694 VanDerWaalsContact CG-OG 3.28Å; P616-S694 WeakPolarHBondContact CG-OG 3.06Å; P616-A696 HydrophobicContact CG-CB 3.81Å; P616-Q697 HydrophobicContact CB-CG 4.07Å
617S79.8Confident67.8Low2 Ų265.4 Ų65.41%0.01441%0.409CS..PPolyproline II helixtrans-73121.217852.70000110.1W593 V615 E654 R655W593-S617 WeakPolarHBondContact CZ3-O 3.42Å; V615-S617 PolarHBondContact O-N 2.93Å; S617-E654 PolarHBondContact N-OE1 3.35Å; S617-R655 PolarHBondContact OG-NE 3.45Å; S617-R655 PolarHBondContact OG-NH2 3.19Å
618L91.3Very high70.9Confident35 Ų3561 Ų6118%0.18336%0.363CS..  trans-111.6152.6176.5-64.3179.6000109.8S594 P616 L658 A696 Q697 F700S594-L618 VanDerWaalsContact CB-O 3.26Å; S594-L618 WeakPolarHBondContact CB-O 3.49Å; S594-L618 PolarHBondContact N-O 3.42Å; S594-L618 PolarHBondContact OG-N 3.48Å; S594-L618 VanDerWaalsContact OG-N 3.09Å; S594-L618 PolarHBondContact OG-O 2.89Å; P616-L618 PolarHBondContact O-N 2.81Å; L618-L658 HydrophobicContact CD2-CD2 3.95Å; L618-A696 HydrophobicContact CD1-CB 4.3Å; L618-Q697 HydrophobicContact CD2-CB 4.42Å; L618-Q697 HydrophobicContact CD2-CG 3.73Å; L618-F700 HydrophobicContact CB-CD2 4.45Å; L618-F700 HydrophobicContact CD1-CB 4.2Å; L618-F700 HydrophobicContact CD1-CD2 4.12Å; L618-F700 HydrophobicContact CD1-CG 4.35Å; L618-F700 HydrophobicContact CD2-CB 3.92Å; L618-F700 HydrophobicContact CD2-CD1 4.35Å; L618-F700 HydrophobicContact CD2-CD2 4.42Å; L618-F700 HydrophobicContact CD2-CG 3.98Å
619P92.5Very high73.9Confident7 Ų758 Ų585%0.04533%0.333CS..BIsolated β-bridgetrans-60.2141.7170-22.333.8000111.8F590 D592 W593 S621 L625 F700F590-P619 HydrophobicContact CE1-CB 4.24Å; F590-P619 HydrophobicContact CE1-CG 4.37Å; F590-P619 HydrophobicContact CZ-CB 4.27Å; D592-P619 WeakPolarHBondContact O-CA 3.49Å; W593-P619 HydrophobicContact CE3-CG 4.18Å; W593-P619 HydrophobicContact CH2-CG 4.18Å; W593-P619 HydrophobicContact CZ3-CG 3.81Å; P619-S621 PolarHBondContact O-N 2.78Å; P619-L625 HydrophobicContact CG-CD2 4.23Å; P619-F700 HydrophobicContact CB-CZ 4.01Å; P619-F700 HydrophobicContact CG-CE1 3.89Å; P619-F700 HydrophobicContact CG-CZ 3.83Å
620N90.8Very high77Confident103 Ų10349.8 Ų49.855%0.55131%0.306SS*.SBendtrans-69.9-24.3176.7-57.8-61.7000112.2D592 W593 S594D592-N620 PolarHBondContact O-N 3.49Å; D592-N620 VanDerWaalsContact O-N 3.14Å; D592-N620 WeakPolarHBondContact OD1-CB 3.43Å; D592-N620 PolarHBondContact OD1-ND2 2.95Å; W593-N620 PolarHBondContact O-ND2 2.79Å; S594-N620 WeakPolarHBondContact CA-OD1 3.36Å; S594-N620 PolarHBondContact N-OD1 2.82Å
621S91.2Very high80.2Confident44 Ų4449 Ų4931%0.30829%0.29SS..  trans-135.5132.3179.6-176.60000111.2D592 P619 A623 S624D592-S621 WeakPolarHBondContact OD2-CB 3.29Å; D592-S621 PolarHBondContact OD2-N 3.33Å; P619-S621 PolarHBondContact O-N 2.78Å; S621-A623 VanDerWaalsContact C-N 3.33Å; S621-A623 PolarHBondContact OG-N 3.2Å; S621-S624 PolarHBondContact O-OG 3.43Å
622T94.4Very high83.2Confident20 Ų2041.5 Ų41.512%0.12325%0.251CS..Hα-helixtrans-67.6-35.7169.650.90000111.3S624 L625 F626 F700 D707T622-S624 PolarHBondContact O-N 3.13Å; T622-L625 WeakPolarHBondContact O-CB 3.35Å; T622-L625 PolarHBondContact O-N 2.7Å; T622-F626 VanDerWaalsContact O-CD1 3.23Å; T622-F626 WeakPolarHBondContact O-CD1 3.42Å; T622-F626 WeakPolarHBondContact O-CD2 3.32Å; T622-F626 WeakPolarHBondContact O-CG 3.48Å; T622-F626 PolarHBondContact O-N 3.11Å; T622-F700 HydrophobicContact CG2-CE2 3.91Å; T622-F700 HydrophobicContact CG2-CZ 3.8Å; T622-D707 VanDerWaalsContact CB-OD2 3.3Å; T622-D707 WeakPolarHBondContact CB-OD2 3.29Å; T622-D707 HydrophobicContact CG2-CB 4.42Å; T622-D707 WeakPolarHBondContact CG2-OD2 3.32Å; T622-D707 PolarHBondContact OG1-OD2 3.49Å
623A93.5Very high86.1Confident58 Ų5837.8 Ų37.848%0.47923%0.229SC..Hα-helixtrans-62.7-38.2177.700000113.2S621 L625 F626 D627S621-A623 VanDerWaalsContact C-N 3.33Å; S621-A623 PolarHBondContact OG-N 3.2Å; A623-L625 VanDerWaalsContact C-N 3.33Å; A623-F626 PolarHBondContact O-N 3.29Å; A623-D627 PolarHBondContact O-N 3.48Å
624S94.6Very high88.7Confident2 Ų238.2 Ų38.21%0.01423%0.225CC..Hα-helixtrans-66.1-37.7176.671.70000111.7D592 S621 T622 L628D592-S624 VanDerWaalsContact OD2-CB 3.26Å; D592-S624 WeakPolarHBondContact OD2-CB 3.3Å; D592-S624 PolarHBondContact OD2-OG 2.93Å; S621-S624 PolarHBondContact O-OG 3.43Å; T622-S624 PolarHBondContact O-N 3.13Å; S624-L628 PolarHBondContact O-N 3.29Å; S624-L628 VanDerWaalsContact O-N 3.15Å
625L95.1Very high90.8Very high3 Ų334.9 Ų34.92%0.01620%0.202CC..Hα-helixtrans-66.8-41.5173-179.162000111.7P619 T622 A623 L628 V629 Y659 I662 F700P619-L625 HydrophobicContact CG-CD2 4.23Å; T622-L625 WeakPolarHBondContact O-CB 3.35Å; T622-L625 PolarHBondContact O-N 2.7Å; A623-L625 VanDerWaalsContact C-N 3.33Å; L625-L628 HydrophobicContact CD1-CD2 4.5Å; L625-L628 WeakPolarHBondContact O-CB 3.25Å; L625-L628 PolarHBondContact O-N 2.88Å; L625-V629 HydrophobicContact CD1-CG2 4.44Å; L625-V629 WeakPolarHBondContact O-CG2 3.02Å; L625-V629 PolarHBondContact O-N 2.49Å; L625-Y659 HydrophobicContact CD1-CD2 3.77Å; L625-Y659 HydrophobicContact CD1-CE2 4.31Å; L625-I662 HydrophobicContact CD2-CB 4.11Å; L625-I662 HydrophobicContact CD2-CG1 3.9Å; L625-I662 HydrophobicContact CD2-CG2 3.84Å; L625-I662 HydrophobicContact CG-CG2 4.41Å; L625-F700 HydrophobicContact CD2-CE1 4.15Å
626F95Very high92.3Very high28 Ų2832.5 Ų32.512%0.12319%0.187CC..Hα-helixtrans-63.3-42.4177.7-59-18.8000112.2T622 A623 V629 G630 L666 C704 D707 Y708T622-F626 VanDerWaalsContact O-CD1 3.23Å; T622-F626 WeakPolarHBondContact O-CD1 3.42Å; T622-F626 WeakPolarHBondContact O-CD2 3.32Å; T622-F626 WeakPolarHBondContact O-CG 3.48Å; T622-F626 PolarHBondContact O-N 3.11Å; A623-F626 PolarHBondContact O-N 3.29Å; F626-V629 PolarHBondContact O-N 3.37Å; F626-G630 PolarHBondContact O-N 2.75Å; F626-L666 HydrophobicContact CD1-CD1 3.65Å; F626-L666 HydrophobicContact CE1-CD1 4.05Å; F626-L666 HydrophobicContact CE1-CD2 4.39Å; F626-L666 HydrophobicContact CG-CD1 4.5Å; F626-C704 HydrophobicContact CE1-CB 3.98Å; F626-C704 HydrophobicContact CZ-CB 4.22Å; F626-C704 WeakPolarHBondContact CZ-O 3.37Å; F626-D707 HydrophobicContact CE2-CB 4.1Å; F626-D707 HydrophobicContact CZ-CB 4.14Å; F626-Y708 HydrophobicContact CD1-CD2 4.42Å; F626-Y708 HydrophobicContact CD2-CD2 4Å; F626-Y708 HydrophobicContact CE2-CD2 4.13Å; F626-Y708 HydrophobicContact CG-CD2 4.17Å; F626-Y708 HydrophobicContact CZ-CD2 4.41Å
627D94.6Very high93.3Very high61 Ų6137 Ų3733%0.32621%0.209SC..Hα-helixtrans-59.1-47.1174.1179.842000110.5Y567 A623 V629 G630 K631Y567-D627 WeakPolarHBondContact CE1-OD2 3.37Å; A623-D627 PolarHBondContact O-N 3.48Å; D627-V629 PolarHBondContact O-N 3.21Å; D627-G630 PolarHBondContact O-N 3.15Å; D627-K631 VanDerWaalsContact O-CG 3.25Å; D627-K631 WeakPolarHBondContact O-CG 3.4Å; D627-K631 PolarHBondContact O-N 3.43Å; D627-K631 WeakPolarHBondContact OD1-CE 3.38Å
628L96.2Very high93.9Very high0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-57.7-50.1175.517868.1000112.3V523 L525 Y567 F588 F590 S624 L625 G630 K631 V632 Y659V523-L628 HydrophobicContact CG1-CD2 4.2Å; L525-L628 HydrophobicContact CD2-CD2 4.19Å; Y567-L628 HydrophobicContact CD1-CD1 4.42Å; F588-L628 HydrophobicContact CB-CD1 3.58Å; F588-L628 HydrophobicContact CD1-CD1 4.23Å; F588-L628 HydrophobicContact CG-CD1 4.04Å; F590-L628 HydrophobicContact CB-CD2 3.75Å; F590-L628 HydrophobicContact CD1-CD2 4.48Å; F590-L628 HydrophobicContact CD2-CB 4.38Å; F590-L628 HydrophobicContact CD2-CD2 3.72Å; F590-L628 HydrophobicContact CE2-CD2 4.45Å; F590-L628 HydrophobicContact CG-CD2 3.74Å; S624-L628 PolarHBondContact O-N 3.29Å; S624-L628 VanDerWaalsContact O-N 3.15Å; L625-L628 HydrophobicContact CD1-CD2 4.5Å; L625-L628 WeakPolarHBondContact O-CB 3.25Å; L625-L628 PolarHBondContact O-N 2.88Å; L628-G630 VanDerWaalsContact C-N 3.3Å; L628-G630 PolarHBondContact O-N 2.95Å; L628-K631 PolarHBondContact O-N 3.4Å; L628-V632 HydrophobicContact CD1-CG2 4.13Å; L628-V632 HydrophobicContact CG-CG2 4.4Å; L628-V632 WeakPolarHBondContact O-CB 3.38Å; L628-V632 VanDerWaalsContact O-CG2 3.29Å; L628-V632 WeakPolarHBondContact O-CG2 3.25Å; L628-V632 PolarHBondContact O-N 2.93Å; L628-Y659 HydrophobicContact CD2-CD2 4.07Å; L628-Y659 HydrophobicContact CD2-CE2 3.72Å; L628-Y659 HydrophobicContact CG-CE2 4.01Å
629V95.4Very high93.9Very high0 Ų044.2 Ų44.20%024%0.242CC..Hα-helixtrans-57.2-45.5177.7171.40000110.3L625 F626 D627 K631 V632 S633 Y659 L666L625-V629 HydrophobicContact CD1-CG2 4.44Å; L625-V629 WeakPolarHBondContact O-CG2 3.02Å; L625-V629 PolarHBondContact O-N 2.49Å; F626-V629 PolarHBondContact O-N 3.37Å; D627-V629 PolarHBondContact O-N 3.21Å; V629-K631 PolarHBondContact O-N 2.99Å; V629-V632 PolarHBondContact O-N 3.28Å; V629-S633 WeakPolarHBondContact O-CB 3.35Å; V629-S633 PolarHBondContact O-N 3.09Å; V629-S633 PolarHBondContact O-OG 3.06Å; V629-Y659 HydrophobicContact CG2-CD2 4.33Å; V629-Y659 HydrophobicContact CG2-CE2 3.66Å; V629-L666 HydrophobicContact CG1-CD1 4.3Å
630G94.7Very high93.4Very high33 Ų3349.7 Ų49.734%0.3428%0.275SS..Hα-helixtrans-59.3-45.3177.400000113.1F626 D627 L628 S633 Q634F626-G630 PolarHBondContact O-N 2.75Å; D627-G630 PolarHBondContact O-N 3.15Å; L628-G630 VanDerWaalsContact C-N 3.3Å; L628-G630 PolarHBondContact O-N 2.95Å; G630-S633 PolarHBondContact O-N 2.91Å; G630-Q634 WeakPolarHBondContact O-CB 3.34Å; G630-Q634 PolarHBondContact O-N 3.04Å
631K96.2Very high93.2Very high95 Ų9553.7 Ų53.741%0.41329%0.29SS..Hα-helixtrans-67.6-38.4179-64-70.5179.4-173.80112.8Y567 F588 D627 L628 V629 R635Y567-K631 HydrophobicContact CE1-CG 4.41Å; Y567-K631 WeakPolarHBondContact OH-CG 3.44Å; F588-K631 HydrophobicContact CE1-CB 3.75Å; F588-K631 HydrophobicContact CZ-CB 3.96Å; D627-K631 VanDerWaalsContact O-CG 3.25Å; D627-K631 WeakPolarHBondContact O-CG 3.4Å; D627-K631 PolarHBondContact O-N 3.43Å; D627-K631 WeakPolarHBondContact OD1-CE 3.38Å; L628-K631 PolarHBondContact O-N 3.4Å; V629-K631 PolarHBondContact O-N 2.99Å; K631-R635 WeakPolarHBondContact O-CB 3.39Å; K631-R635 PolarHBondContact O-N 3.09Å
632V96.3Very high93Very high0 Ų052.5 Ų52.50%028%0.282CS..Hα-helixtrans-65.8-46.3175.6169.20000110.7V523 F588 L628 V629 R635 Q636 I645 Y659V523-V632 HydrophobicContact CG2-CB 4.48Å; V523-V632 HydrophobicContact CG2-CG1 4.05Å; V523-V632 HydrophobicContact CG2-CG2 3.57Å; F588-V632 HydrophobicContact CD2-CG2 3.64Å; F588-V632 HydrophobicContact CE2-CG2 3.94Å; F588-V632 HydrophobicContact CG-CG2 4.16Å; L628-V632 HydrophobicContact CD1-CG2 4.13Å; L628-V632 HydrophobicContact CG-CG2 4.4Å; L628-V632 WeakPolarHBondContact O-CB 3.38Å; L628-V632 VanDerWaalsContact O-CG2 3.29Å; L628-V632 WeakPolarHBondContact O-CG2 3.25Å; L628-V632 PolarHBondContact O-N 2.93Å; V629-V632 PolarHBondContact O-N 3.28Å; V632-R635 PolarHBondContact O-N 2.88Å; V632-Q636 PolarHBondContact O-N 3.49Å; V632-I645 HydrophobicContact CG1-CD1 3.79Å; V632-I645 HydrophobicContact CG1-CG1 4.47Å; V632-I645 HydrophobicContact CG1-CG2 3.98Å; V632-Y659 WeakPolarHBondContact CB-OH 3.47Å; V632-Y659 WeakPolarHBondContact CG1-OH 3.29Å; V632-Y659 WeakPolarHBondContact CG2-OH 3.21Å
633S93.5Very high92.9Very high26 Ų2652.6 Ų52.618%0.18229%0.287CS..Hα-helixtrans-62.4-43176.3-65.40000112.1V629 G630 R635 Q636 L637V629-S633 WeakPolarHBondContact O-CB 3.35Å; V629-S633 PolarHBondContact O-N 3.09Å; V629-S633 PolarHBondContact O-OG 3.06Å; G630-S633 PolarHBondContact O-N 2.91Å; S633-R635 VanDerWaalsContact C-N 3.33Å; S633-R635 PolarHBondContact O-N 3.5Å; S633-Q636 PolarHBondContact O-N 2.78Å; S633-L637 WeakPolarHBondContact O-CG 3.25Å; S633-L637 PolarHBondContact O-N 2.9Å
634Q94.5Very high93Very high104 Ų10450.4 Ų50.449%0.48627%0.268SS..Hα-helixtrans-59.6-44.6174.9-177.76048.300111.4G630 Q636 L637 D638G630-Q634 WeakPolarHBondContact O-CB 3.34Å; G630-Q634 PolarHBondContact O-N 3.04Å; Q634-Q636 VanDerWaalsContact C-N 3.31Å; Q634-Q636 PolarHBondContact O-N 2.98Å; Q634-L637 WeakPolarHBondContact O-CB 3.29Å; Q634-L637 PolarHBondContact O-N 2.86Å; Q634-L637 VanDerWaalsContact O-N 3.13Å; Q634-D638 PolarHBondContact NE2-OD1 3.28Å; Q634-D638 PolarHBondContact O-N 3.14Å
635R95Very high93.1Very high17 Ų1750.4 Ų50.46%0.06427%0.268CS..Hα-helixtrans-61.1-41.2177-179.5174-179.973.613.7111.8S520 C521 F588 K631 V632 S633 L637 D638 Y639S520-R635 VanDerWaalsContact O-CZ 3.25Å; S520-R635 PolarHBondContact O-NE 3.07Å; S520-R635 PolarHBondContact O-NH2 3.37Å; C521-R635 HydrophobicContact CB-CG 4.42Å; F588-R635 HydrophobicContact CE2-CB 4.27Å; F588-R635 HydrophobicContact CZ-CB 4.48Å; K631-R635 WeakPolarHBondContact O-CB 3.39Å; K631-R635 PolarHBondContact O-N 3.09Å; V632-R635 PolarHBondContact O-N 2.88Å; S633-R635 VanDerWaalsContact C-N 3.33Å; S633-R635 PolarHBondContact O-N 3.5Å; R635-L637 VanDerWaalsContact C-N 3.27Å; R635-L637 PolarHBondContact O-N 3.36Å; R635-D638 PolarHBondContact O-N 3.11Å; R635-Y639 HydrophobicContact CG-CD2 4.37Å; R635-Y639 WeakPolarHBondContact O-CD2 3.5Å; R635-Y639 PolarHBondContact O-N 2.66Å
636Q92.5Very high93.3Very high23 Ų2350.3 Ų50.311%0.10727%0.267CS..Hα-helixtrans-63.4-36.2177-168.966.622.500111.6C494 V632 S633 Q634 Y639 S642 G643 I645C494-Q636 HydrophobicContact CB-CG 4.12Å; V632-Q636 PolarHBondContact O-N 3.49Å; S633-Q636 PolarHBondContact O-N 2.78Å; Q634-Q636 VanDerWaalsContact C-N 3.31Å; Q634-Q636 PolarHBondContact O-N 2.98Å; Q636-Y639 CarbonylContact O-C 3.51Å; Q636-Y639 VanDerWaalsContact O-C 3.22Å; Q636-Y639 PolarHBondContact O-N 2.86Å; Q636-S642 PolarHBondContact NE2-OG 2.85Å; Q636-G643 PolarHBondContact NE2-O 2.94Å; Q636-I645 HydrophobicContact CB-CD1 4.17Å; Q636-I645 HydrophobicContact CG-CD1 4.22Å; Q636-I645 HydrophobicContact CG-CG1 4.38Å
637L91.4Very high93.4Very high116 Ų11649 Ų4961%0.60726%0.261SS*.Hα-helixtrans-67.9-34.7174.7-68.7171.2000112.8S633 Q634 R635 Y639 V640S633-L637 WeakPolarHBondContact O-CG 3.25Å; S633-L637 PolarHBondContact O-N 2.9Å; Q634-L637 WeakPolarHBondContact O-CB 3.29Å; Q634-L637 PolarHBondContact O-N 2.86Å; Q634-L637 VanDerWaalsContact O-N 3.13Å; R635-L637 VanDerWaalsContact C-N 3.27Å; R635-L637 PolarHBondContact O-N 3.36Å; L637-Y639 PolarHBondContact O-N 2.66Å; L637-V640 WeakPolarHBondContact O-CG2 3.2Å
638D93.8Very high93.6Very high105 Ų10546 Ų4656%0.56125%0.246SC*.Hα-helixtrans-68.1-20175.8-62.5-17.2000112.4Q634 R635Q634-D638 PolarHBondContact NE2-OD1 3.28Å; Q634-D638 PolarHBondContact O-N 3.14Å; R635-D638 PolarHBondContact O-N 3.11Å
639Y90.5Very high93.6Very high83 Ų8346.1 Ų46.133%0.32525%0.246SC..THydrogen-bonded Turntrans-124.962.1179.7-66.1-100.6000110.5K584 R635 Q636 L637 E641 S642K584-Y639 HydrophobicContact CB-CE1 4.46Å; R635-Y639 HydrophobicContact CG-CD2 4.37Å; R635-Y639 WeakPolarHBondContact O-CD2 3.5Å; R635-Y639 PolarHBondContact O-N 2.66Å; Q636-Y639 CarbonylContact O-C 3.51Å; Q636-Y639 VanDerWaalsContact O-C 3.22Å; Q636-Y639 PolarHBondContact O-N 2.86Å; L637-Y639 PolarHBondContact O-N 2.66Å; Y639-E641 PolarHBondContact O-N 3.1Å; Y639-E641 VanDerWaalsContact O-N 3.08Å; Y639-S642 WeakPolarHBondContact CB-OG 3.27Å; Y639-S642 VanDerWaalsContact O-CB 3.25Å; Y639-S642 WeakPolarHBondContact O-CB 3.26Å; Y639-S642 PolarHBondContact O-N 2.95Å; Y639-S642 PolarHBondContact O-OG 3.34Å
640V82.8Confident93.5Very high123 Ų12349.3 Ų49.375%0.74526%0.258SS*.THydrogen-bonded Turntrans-54.5-31.7-175.4-173.30000113.6L637 S642L637-V640 WeakPolarHBondContact O-CG2 3.2Å; V640-S642 VanDerWaalsContact C-N 3.32Å
641E85.4Confident93.5Very high186 Ų18648.6 Ų48.687%0.86925%0.246SC*.THydrogen-bonded Turntrans-84.8-2.1178.6-61.3-175.6166.400113.9N518 Y639N518-E641 PolarHBondContact ND2-O 2.79Å; Y639-E641 PolarHBondContact O-N 3.1Å; Y639-E641 VanDerWaalsContact O-N 3.08Å
642S88.4Confident93.5Very high20 Ų2044 Ų4414%0.1423%0.227CC..  trans-74.2154.8179.567.60000112.6S520 Q636 Y639 V640S520-S642 VanDerWaalsContact CB-CB 3.47Å; S520-S642 VanDerWaalsContact OG-CB 3.24Å; S520-S642 WeakPolarHBondContact OG-CB 3.36Å; S520-S642 PolarHBondContact OG-OG 3.26Å; Q636-S642 PolarHBondContact NE2-OG 2.85Å; Y639-S642 WeakPolarHBondContact CB-OG 3.27Å; Y639-S642 VanDerWaalsContact O-CB 3.25Å; Y639-S642 WeakPolarHBondContact O-CB 3.26Å; Y639-S642 PolarHBondContact O-N 2.95Å; Y639-S642 PolarHBondContact O-OG 3.34Å; V640-S642 VanDerWaalsContact C-N 3.32Å
643G91.1Very high93.4Very high22 Ų2244 Ų4423%0.22723%0.227CC..  trans-75.5-151.5177.300000113Q517 N518 Q636Q517-G643 WeakPolarHBondContact O-CA 3.45Å; N518-G643 PolarHBondContact O-N 3.36Å; Q636-G643 PolarHBondContact NE2-O 2.94Å
644P95.6Very high93.3Very high12 Ų1245.4 Ų45.48%0.07823%0.23CC..PPolyproline II helixtrans-68.3156.8-175.428.7-32.3000112.6F488 R495 I497 Q517 V519F488-P644 HydrophobicContact CE1-CG 4.45Å; R495-P644 HydrophobicContact CB-CB 3.97Å; R495-P644 CarbonylContact O-C 3.58Å; R495-P644 WeakPolarHBondContact O-CA 3.32Å; R495-P644 WeakPolarHBondContact O-CB 3.49Å; I497-P644 HydrophobicContact CD1-CB 4.27Å; I497-P644 HydrophobicContact CD1-CG 3.41Å; I497-P644 VanDerWaalsContact CD1-CG 3.41Å; I497-P644 HydrophobicContact CG1-CB 3.98Å; I497-P644 HydrophobicContact CG1-CG 3.66Å; Q517-P644 HydrophobicContact CB-CG 4.24Å; Q517-P644 VanDerWaalsContact O-CD 3.29Å; Q517-P644 WeakPolarHBondContact O-CD 3.47Å; V519-P644 HydrophobicContact CG2-CG 4.22Å; V519-P644 WeakPolarHBondContact CG2-O 3.47Å
645I97.4Very high93.3Very high2 Ų241.8 Ų41.81%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-80.1125167.4-59.3160.6000107.6C494 R495 Y496 I497 C521 V523 V632 Q636 I647C494-I645 WeakPolarHBondContact SG-CD1 3.37Å; R495-I645 PolarHBondContact O-N 3.38Å; Y496-I645 CarbonylContact C-O 3.5Å; Y496-I645 VanDerWaalsContact CA-O 3.3Å; Y496-I645 WeakPolarHBondContact CA-O 3.31Å; Y496-I645 HydrophobicContact CD1-CB 3.92Å; Y496-I645 HydrophobicContact CD1-CD1 4.41Å; Y496-I645 HydrophobicContact CD1-CG2 4.46Å; Y496-I645 HydrophobicContact CE1-CB 4.21Å; Y496-I645 HydrophobicContact CE1-CD1 3.86Å; I497-I645 PolarHBondContact N-O 3.4Å; C521-I645 HydrophobicContact CB-CG1 4.25Å; C521-I645 HydrophobicContact CB-CG2 4.24Å; V523-I645 HydrophobicContact CG2-CG2 3.97Å; V632-I645 HydrophobicContact CG1-CD1 3.79Å; V632-I645 HydrophobicContact CG1-CG1 4.47Å; V632-I645 HydrophobicContact CG1-CG2 3.98Å; Q636-I645 HydrophobicContact CB-CD1 4.17Å; Q636-I645 HydrophobicContact CG-CD1 4.22Å; Q636-I645 HydrophobicContact CG-CG1 4.38Å; I645-I647 HydrophobicContact CG2-CG1 4.19Å
646V98.5Very high93.4Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-86.8125.1174.3167.60000108.9I497 T499 F510 M513 I514 V519 C521 I522 V523I497-V646 HydrophobicContact CB-CG2 3.85Å; I497-V646 HydrophobicContact CD1-CG2 4.18Å; I497-V646 HydrophobicContact CG2-CG2 4.17Å; I497-V646 CarbonylContact O-C 3.59Å; I497-V646 WeakPolarHBondContact O-CA 3.39Å; T499-V646 HydrophobicContact CG2-CG1 3.93Å; F510-V646 HydrophobicContact CE2-CG1 3.99Å; F510-V646 HydrophobicContact CZ-CG1 4.2Å; M513-V646 HydrophobicContact CE-CG1 4.34Å; M513-V646 HydrophobicContact CE-CG2 4.22Å; I514-V646 HydrophobicContact CD1-CB 4.09Å; I514-V646 HydrophobicContact CD1-CG1 4.28Å; I514-V646 HydrophobicContact CD1-CG2 3.72Å; V519-V646 HydrophobicContact CB-CG2 4.3Å; V519-V646 HydrophobicContact CG1-CB 4.11Å; V519-V646 HydrophobicContact CG1-CG2 3.76Å; V519-V646 HydrophobicContact CG2-CG2 3.67Å; C521-V646 PolarHBondContact O-N 3.39Å; I522-V646 CarbonylContact C-O 3.5Å; I522-V646 VanDerWaalsContact CA-O 3.27Å; I522-V646 WeakPolarHBondContact CA-O 3.21Å; I522-V646 HydrophobicContact CG1-CB 4.4Å; I522-V646 HydrophobicContact CG2-CG1 4.46Å; V523-V646 PolarHBondContact N-O 2.86Å
647I98.4Very high93.5Very high0 Ų039.9 Ų39.90%020%0.204CC..EExtended strand (participates in β ladder)trans-118.8130.6175.1-54.6153.5000106.9Y496 I497 L498 T499 V523 L525 I645 Y659Y496-I647 HydrophobicContact CD1-CD1 3.39Å; Y496-I647 HydrophobicContact CD1-CG1 4.34Å; Y496-I647 HydrophobicContact CE1-CD1 3.95Å; Y496-I647 HydrophobicContact CG-CD1 3.84Å; I497-I647 PolarHBondContact O-N 2.83Å; L498-I647 WeakPolarHBondContact CA-O 3.3Å; L498-I647 HydrophobicContact CD2-CB 3.79Å; L498-I647 HydrophobicContact CD2-CD1 3.76Å; L498-I647 HydrophobicContact CD2-CG1 4.34Å; L498-I647 HydrophobicContact CD2-CG2 4.43Å; T499-I647 PolarHBondContact N-O 2.97Å; T499-I647 VanDerWaalsContact N-O 3.09Å; V523-I647 HydrophobicContact CB-CB 4.4Å; V523-I647 HydrophobicContact CB-CG1 4.08Å; V523-I647 HydrophobicContact CB-CG2 4.25Å; V523-I647 HydrophobicContact CG1-CG2 4.44Å; V523-I647 HydrophobicContact CG2-CG1 4.31Å; V523-I647 CarbonylContact O-C 3.43Å; V523-I647 WeakPolarHBondContact O-CA 3.21Å; L525-I647 HydrophobicContact CD1-CG2 3.63Å; L525-I647 HydrophobicContact CG-CG2 4.19Å; I645-I647 HydrophobicContact CG2-CG1 4.19Å; I647-Y659 HydrophobicContact CD1-CD1 3.52Å; I647-Y659 HydrophobicContact CD1-CE1 3.66Å; I647-Y659 HydrophobicContact CG1-CD1 4.06Å; I647-Y659 HydrophobicContact CG1-CE1 4.07Å; I647-Y659 HydrophobicContact CG2-CD1 4.17Å
648H98.1Very high93.7Very high0 Ų034.4 Ų34.40%018%0.175CC..EExtended strand (participates in β ladder)trans-137.7148.2178.178.389.3000112.9T499 D501 V523 M524 L525 Y537 S656T499-H648 HydrophobicContact CG2-CB 3.54Å; T499-H648 WeakPolarHBondContact O-CA 3.38Å; T499-H648 WeakPolarHBondContact O-CB 3.33Å; D501-H648 IonicContact OD1-CE1 3.17Å; D501-H648 PolarHBondContact OD1-CE1 3.01Å; D501-H648 VanDerWaalsContact OD1-CE1 3.28Å; D501-H648 IonicContact OD1-CG 3.33Å; D501-H648 IonicContact OD1-ND1 3.3Å; D501-H648 PolarHBondContact OD1-ND1 2.96Å; V523-H648 PolarHBondContact O-N 3.34Å; M524-H648 VanDerWaalsContact CB-NE2 3.27Å; M524-H648 WeakPolarHBondContact CB-NE2 3.4Å; M524-H648 WeakPolarHBondContact CG-CE1 3.39Å; L525-H648 PolarHBondContact N-O 3.11Å; Y537-H648 AromaticContact CE1-CE1 3.65Å; Y537-H648 AromaticContact CE1-NE2 3.67Å; Y537-H648 AromaticContact CZ-NE2 3.53Å; Y537-H648 PolarHBondContact OH-NE2 3.24Å; H648-S656 VanDerWaalsContact C-OG 3.23Å; H648-S656 WeakPolarHBondContact CA-OG 3.29Å
649C95.5Very high93.8Very high1 Ų129.5 Ų29.51%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-143.4178.117061.10000108.8Q500 D501 L525 T526 D651 G652 S653 R655 S656Q500-C649 CarbonylContact C-O 3.59Å; Q500-C649 WeakPolarHBondContact CA-O 3.24Å; D501-C649 PolarHBondContact N-O 3.42Å; D501-C649 VanDerWaalsContact OD1-C 3.3Å; L525-C649 HydrophobicContact CB-CB 4.12Å; T526-C649 VanDerWaalsContact OG1-CA 3.31Å; T526-C649 WeakPolarHBondContact OG1-CA 3.37Å; C649-D651 VanDerWaalsContact C-N 3.28Å; C649-D651 PolarHBondContact O-N 2.7Å; C649-D651 VanDerWaalsContact O-N 3.09Å; C649-D651 PolarHBondContact SG-OD1 2.8Å; C649-G652 PolarHBondContact O-N 3.15Å; C649-G652 VanDerWaalsContact SG-CA 3.58Å; C649-G652 PolarHBondContact SG-N 3.21Å; C649-G652 VanDerWaalsContact SG-N 3.43Å; C649-S653 PolarHBondContact SG-N 3Å; C649-R655 HydrophobicContact CB-CB 3.78Å; C649-R655 HydrophobicContact CB-CG 4.48Å; C649-S656 PolarHBondContact N-OG 3.08Å; C649-S656 VanDerWaalsContact N-OG 3.14Å; C649-S656 PolarHBondContact SG-N 3.44Å; C649-S656 VanDerWaalsContact SG-N 3.36Å; C649-S656 PolarHBondContact SG-OG 2.73Å
650R94.7Very high94.1Very high68 Ų6825.6 Ų25.626%0.25713%0.133SC..SBendtrans-45-48.8-173.9-167.365.2173.3174.71.3114.4R458 D501 T526 E532 E535R458-R650 VanDerWaalsContact CD-O 3.28Å; R458-R650 WeakPolarHBondContact CD-O 3.27Å; R458-R650 PolarHBondContact NE-O 3.45Å; R458-R650 VanDerWaalsContact NE-O 3.15Å; R458-R650 VanDerWaalsContact NH1-CZ 3.28Å; D501-R650 WeakPolarHBondContact OD2-CA 3.29Å; D501-R650 PolarHBondContact OD2-N 3.47Å; T526-R650 PolarHBondContact OG1-N 3.11Å; E532-R650 IonicContact OE1-NH2 2.66Å; E535-R650 IonicContact OE1-CZ 3.58Å; E535-R650 IonicContact OE1-NH1 3.46Å; E535-R650 PolarHBondContact OE1-NH1 3.48Å; E535-R650 IonicContact OE1-NH2 3.62Å; E535-R650 IonicContact OE2-CZ 3.83Å; E535-R650 IonicContact OE2-NH1 2.68Å; E535-R650 PolarHBondContact OE2-NH1 3.22Å; E535-R650 IonicContact OE2-NH2 3.27Å
651D94.2Very high94.7Very high17 Ų1719.7 Ų19.79%0.09110%0.098CC..SBendtrans-99.7-10.9178.469.6-18.1000114.1Y459 I462 C649 S653 E654 R688Y459-D651 HydrophobicContact CD2-CB 3.78Å; Y459-D651 HydrophobicContact CE2-CB 3.7Å; I462-D651 HydrophobicContact CD1-CB 3.71Å; I462-D651 HydrophobicContact CG2-CB 4.25Å; I462-D651 WeakPolarHBondContact CG2-O 3.49Å; C649-D651 VanDerWaalsContact C-N 3.28Å; C649-D651 PolarHBondContact O-N 2.7Å; C649-D651 VanDerWaalsContact O-N 3.09Å; C649-D651 PolarHBondContact SG-OD1 2.8Å; D651-S653 VanDerWaalsContact C-N 3.26Å; D651-S653 PolarHBondContact O-N 2.87Å; D651-S653 PolarHBondContact OD1-N 2.9Å; D651-E654 PolarHBondContact OD1-N 3.42Å; D651-E654 VanDerWaalsContact OD1-N 3.09Å; D651-E654 PolarHBondContact OD2-N 3.28Å; D651-E654 VanDerWaalsContact OD2-N 3.11Å; D651-R688 PolarHBondContact O-NH2 2.59Å
652G95.5Very high95.2Very high0 Ų010.9 Ų10.90%06%0.057CC..SBendtrans71.512.1-17400000115.4T499 C649 R688T499-G652 WeakPolarHBondContact O-CA 3.39Å; C649-G652 PolarHBondContact O-N 3.15Å; C649-G652 VanDerWaalsContact SG-CA 3.58Å; C649-G652 PolarHBondContact SG-N 3.21Å; C649-G652 VanDerWaalsContact SG-N 3.43Å; G652-R688 WeakPolarHBondContact O-CD 3.44Å; G652-R688 PolarHBondContact O-NE 2.91Å
653S94.2Very high95.5Very high0 Ų010 Ų100%05%0.05CC..SBendtrans-129.7-52.2-174.9-77.90000113.4I462 C649 D651 G657 R688 S689I462-S653 VanDerWaalsContact CG2-OG 3.29Å; I462-S653 WeakPolarHBondContact CG2-OG 3.44Å; C649-S653 PolarHBondContact SG-N 3Å; D651-S653 VanDerWaalsContact C-N 3.26Å; D651-S653 PolarHBondContact O-N 2.87Å; D651-S653 PolarHBondContact OD1-N 2.9Å; S653-G657 WeakPolarHBondContact O-CA 3.16Å; S653-G657 PolarHBondContact O-N 3.22Å; S653-R688 PolarHBondContact OG-NE 2.77Å; S653-S689 VanDerWaalsContact CB-O 3.25Å; S653-S689 WeakPolarHBondContact CB-O 3.32Å; S653-S689 PolarHBondContact OG-O 3.31Å
654E92.1Very high95.6Very high55 Ų5510 Ų1026%0.2575%0.045SC..Hα-helixtrans-61.2-73-171.9-175.5-171.3167.900112.2P616 S617 D651 G657 L658P616-E654 WeakPolarHBondContact CA-OE1 3.26Å; S617-E654 PolarHBondContact N-OE1 3.35Å; D651-E654 PolarHBondContact OD1-N 3.42Å; D651-E654 VanDerWaalsContact OD1-N 3.09Å; D651-E654 PolarHBondContact OD2-N 3.28Å; D651-E654 VanDerWaalsContact OD2-N 3.11Å; E654-G657 PolarHBondContact O-N 2.63Å; E654-L658 PolarHBondContact O-N 2.7Å; E654-L658 VanDerWaalsContact O-N 3.11Å
655R95Very high95.6Very high28 Ų289.4 Ų9.411%0.1064%0.041CC..Hα-helixtrans-68.5-38.3-178.7-63.4179.4-179.1-171.70.9112.1L525 W593 S617 C649 L658 Y659L525-R655 HydrophobicContact CB-CB 3.99Å; L525-R655 HydrophobicContact CD1-CB 4.14Å; L525-R655 VanDerWaalsContact CD1-O 3.29Å; L525-R655 WeakPolarHBondContact CD1-O 3.44Å; L525-R655 WeakPolarHBondContact O-CD 3.46Å; L525-R655 PolarHBondContact O-NH1 2.99Å; W593-R655 VanDerWaalsContact CD1-NH1 3.34Å; W593-R655 HydrophobicContact CD2-CG 4.45Å; W593-R655 HydrophobicContact CE3-CG 4.22Å; W593-R655 HydrophobicContact CH2-CB 3.57Å; W593-R655 HydrophobicContact CH2-CG 3.64Å; W593-R655 HydrophobicContact CZ2-CB 3.73Å; W593-R655 HydrophobicContact CZ2-CG 3.87Å; W593-R655 HydrophobicContact CZ3-CB 4.23Å; W593-R655 HydrophobicContact CZ3-CG 3.8Å; S617-R655 PolarHBondContact OG-NE 3.45Å; S617-R655 PolarHBondContact OG-NH2 3.19Å; C649-R655 HydrophobicContact CB-CB 3.78Å; C649-R655 HydrophobicContact CB-CG 4.48Å; R655-L658 PolarHBondContact O-N 2.74Å; R655-Y659 PolarHBondContact O-N 2.83Å
656S96Very high95.4Very high0 Ų09.4 Ų9.40%04%0.041CC..Hα-helixtrans-63.6-42.2178.7-64.80000112H648 C649 C660H648-S656 VanDerWaalsContact C-OG 3.23Å; H648-S656 WeakPolarHBondContact CA-OG 3.29Å; C649-S656 PolarHBondContact N-OG 3.08Å; C649-S656 VanDerWaalsContact N-OG 3.14Å; C649-S656 PolarHBondContact SG-N 3.44Å; C649-S656 VanDerWaalsContact SG-N 3.36Å; C649-S656 PolarHBondContact SG-OG 2.73Å; S656-C660 VanDerWaalsContact O-CB 3.29Å; S656-C660 WeakPolarHBondContact O-CB 3.31Å; S656-C660 PolarHBondContact O-N 3.33Å
657G94.8Very high95Very high0 Ų010 Ų100%04%0.044CC..Hα-helixtrans-66.4-42.3175.900000112.3S653 E654 C660 A661S653-G657 WeakPolarHBondContact O-CA 3.16Å; S653-G657 PolarHBondContact O-N 3.22Å; E654-G657 PolarHBondContact O-N 2.63Å; G657-C660 PolarHBondContact O-N 3.12Å; G657-A661 WeakPolarHBondContact O-CB 3.14Å; G657-A661 PolarHBondContact O-N 3.49Å
658L95.6Very high94.6Very high1 Ų110.6 Ų10.61%0.0055%0.047CC..Hα-helixtrans-60.4-51.5174.6-177.161.8000111.5W593 L618 E654 R655 C660 A661 I662 V692 Q697 F700W593-L658 HydrophobicContact CZ3-CD2 4.36Å; L618-L658 HydrophobicContact CD2-CD2 3.95Å; E654-L658 PolarHBondContact O-N 2.7Å; E654-L658 VanDerWaalsContact O-N 3.11Å; R655-L658 PolarHBondContact O-N 2.74Å; L658-C660 VanDerWaalsContact C-N 3.28Å; L658-C660 PolarHBondContact O-N 3.13Å; L658-A661 PolarHBondContact O-N 3.27Å; L658-I662 HydrophobicContact CD1-CG1 4.37Å; L658-I662 WeakPolarHBondContact O-CG1 3.49Å; L658-I662 PolarHBondContact O-N 2.76Å; L658-V692 HydrophobicContact CD1-CG2 4.42Å; L658-Q697 HydrophobicContact CD1-CB 4.2Å; L658-Q697 HydrophobicContact CD2-CG 4.34Å; L658-F700 HydrophobicContact CD1-CD1 4.16Å; L658-F700 HydrophobicContact CD2-CD1 4.07Å; L658-F700 HydrophobicContact CD2-CE1 4.38Å; L658-F700 HydrophobicContact CG-CD1 4.49Å
659Y96.3Very high94.3Very high2 Ų211.1 Ų11.11%0.0085%0.049CC..Hα-helixtrans-55.1-45.9176174.9-84.3000111.6V523 L525 L625 L628 V629 V632 I647 R655 A661 I662 S663V523-Y659 HydrophobicContact CG1-CE2 4.32Å; L525-Y659 HydrophobicContact CD1-CG 4.19Å; L525-Y659 HydrophobicContact CD2-CD2 4.37Å; L625-Y659 HydrophobicContact CD1-CD2 3.77Å; L625-Y659 HydrophobicContact CD1-CE2 4.31Å; L628-Y659 HydrophobicContact CD2-CD2 4.07Å; L628-Y659 HydrophobicContact CD2-CE2 3.72Å; L628-Y659 HydrophobicContact CG-CE2 4.01Å; V629-Y659 HydrophobicContact CG2-CD2 4.33Å; V629-Y659 HydrophobicContact CG2-CE2 3.66Å; V632-Y659 WeakPolarHBondContact CB-OH 3.47Å; V632-Y659 WeakPolarHBondContact CG1-OH 3.29Å; V632-Y659 WeakPolarHBondContact CG2-OH 3.21Å; I647-Y659 HydrophobicContact CD1-CD1 3.52Å; I647-Y659 HydrophobicContact CD1-CE1 3.66Å; I647-Y659 HydrophobicContact CG1-CD1 4.06Å; I647-Y659 HydrophobicContact CG1-CE1 4.07Å; I647-Y659 HydrophobicContact CG2-CD1 4.17Å; R655-Y659 PolarHBondContact O-N 2.83Å; Y659-A661 PolarHBondContact O-N 2.9Å; Y659-I662 PolarHBondContact O-N 2.88Å; Y659-S663 WeakPolarHBondContact O-CB 3.46Å; Y659-S663 PolarHBondContact O-N 3.01Å
660C95.7Very high94Very high0 Ų015.9 Ų15.90%07%0.067CC..Hα-helixtrans-61.9-42.8179.4-171.90000111.8Y496 L498 S656 G657 L658 L664 L684Y496-C660 WeakPolarHBondContact CD2-SG 3.27Å; L498-C660 HydrophobicContact CD2-CB 4.42Å; S656-C660 VanDerWaalsContact O-CB 3.29Å; S656-C660 WeakPolarHBondContact O-CB 3.31Å; S656-C660 PolarHBondContact O-N 3.33Å; G657-C660 PolarHBondContact O-N 3.12Å; L658-C660 VanDerWaalsContact C-N 3.28Å; L658-C660 PolarHBondContact O-N 3.13Å; C660-L664 WeakPolarHBondContact O-CB 3.15Å; C660-L664 WeakPolarHBondContact O-CG 3.47Å; C660-L664 PolarHBondContact O-N 3.29Å; C660-L684 HydrophobicContact CB-CD1 4.4Å; C660-L684 VanDerWaalsContact SG-CD2 3.56Å
661A95.3Very high93.6Very high0 Ų020.7 Ų20.70%09%0.085CC..Hα-helixtrans-61.7-49.3176.300000111.2G657 L658 Y659 L664 L665 L684 V692G657-A661 WeakPolarHBondContact O-CB 3.14Å; G657-A661 PolarHBondContact O-N 3.49Å; L658-A661 PolarHBondContact O-N 3.27Å; Y659-A661 PolarHBondContact O-N 2.9Å; A661-L664 PolarHBondContact O-N 2.77Å; A661-L665 VanDerWaalsContact O-CG 3.23Å; A661-L665 WeakPolarHBondContact O-CG 3.11Å; A661-L665 PolarHBondContact O-N 3.45Å; A661-L684 HydrophobicContact CB-CD1 3.73Å; A661-V692 HydrophobicContact CB-CG2 4.07Å
662I96.1Very high93.4Very high1 Ų121.3 Ų21.31%0.0059%0.088CC..Hα-helixtrans-62-48178.1-60.6-51.4000111.2L625 L658 Y659 L664 L665 L666 C701 C704L625-I662 HydrophobicContact CD2-CB 4.11Å; L625-I662 HydrophobicContact CD2-CG1 3.9Å; L625-I662 HydrophobicContact CD2-CG2 3.84Å; L625-I662 HydrophobicContact CG-CG2 4.41Å; L658-I662 HydrophobicContact CD1-CG1 4.37Å; L658-I662 WeakPolarHBondContact O-CG1 3.49Å; L658-I662 PolarHBondContact O-N 2.76Å; Y659-I662 PolarHBondContact O-N 2.88Å; I662-L664 VanDerWaalsContact C-N 3.27Å; I662-L664 PolarHBondContact O-N 3.37Å; I662-L665 HydrophobicContact CD1-CD1 4.47Å; I662-L665 PolarHBondContact O-N 2.84Å; I662-L665 VanDerWaalsContact O-N 3.15Å; I662-L666 HydrophobicContact CG2-CD1 3.82Å; I662-L666 HydrophobicContact CG2-CG 4.02Å; I662-L666 VanDerWaalsContact O-CG 3.29Å; I662-L666 WeakPolarHBondContact O-CG 3.36Å; I662-L666 PolarHBondContact O-N 2.7Å; I662-C701 HydrophobicContact CD1-CB 4.06Å; I662-C704 HydrophobicContact CD1-CB 3.61Å; I662-C704 HydrophobicContact CG1-CB 4.45Å; I662-C704 HydrophobicContact CG2-CB 4.31Å
663S95.3Very high93.1Very high1 Ų123 Ų231%0.00711%0.105CC..Hα-helixtrans-56.8-43.1179.4-170.40000111.7Y496 Y659 D667Y496-S663 PolarHBondContact OH-OG 2.9Å; Y659-S663 WeakPolarHBondContact O-CB 3.46Å; Y659-S663 PolarHBondContact O-N 3.01Å; S663-D667 WeakPolarHBondContact O-CB 3.23Å; S663-D667 PolarHBondContact O-N 2.93Å
664L93.4Very high93Very high21 Ų2123.8 Ų23.811%0.1111%0.109CC..Hα-helixtrans-63.5-46.7175.9-80.7176000112.7G491 Y496 C660 A661 I662 L666 D667 R668 T680 L684G491-L664 VanDerWaalsContact C-CD2 3.48Å; Y496-L664 HydrophobicContact CE2-CG 4.49Å; C660-L664 WeakPolarHBondContact O-CB 3.15Å; C660-L664 WeakPolarHBondContact O-CG 3.47Å; C660-L664 PolarHBondContact O-N 3.29Å; A661-L664 PolarHBondContact O-N 2.77Å; I662-L664 VanDerWaalsContact C-N 3.27Å; I662-L664 PolarHBondContact O-N 3.37Å; L664-L666 VanDerWaalsContact C-N 3.33Å; L664-L666 PolarHBondContact O-N 2.77Å; L664-D667 PolarHBondContact O-N 3.2Å; L664-R668 VanDerWaalsContact O-CB 3.24Å; L664-R668 WeakPolarHBondContact O-CB 3.47Å; L664-R668 PolarHBondContact O-N 3Å; L664-T680 HydrophobicContact CB-CG2 3.89Å; L664-T680 HydrophobicContact CD1-CG2 4.03Å; L664-L684 HydrophobicContact CD1-CD1 4.09Å; L664-L684 HydrophobicContact CD1-CD2 3.74Å; L664-L684 HydrophobicContact CD1-CG 4.09Å
665L94.6Very high92.9Very high1 Ų121.2 Ų21.21%0.00510%0.096CC..Hα-helixtrans-62.3-41.6179.6-69.8167.2000111.3A661 I662 R668 L669 I675 V677 T680 C701 V705A661-L665 VanDerWaalsContact O-CG 3.23Å; A661-L665 WeakPolarHBondContact O-CG 3.11Å; A661-L665 PolarHBondContact O-N 3.45Å; I662-L665 HydrophobicContact CD1-CD1 4.47Å; I662-L665 PolarHBondContact O-N 2.84Å; I662-L665 VanDerWaalsContact O-N 3.15Å; L665-R668 PolarHBondContact O-N 3.36Å; L665-L669 VanDerWaalsContact O-CB 3.25Å; L665-L669 WeakPolarHBondContact O-CB 3.36Å; L665-L669 PolarHBondContact O-N 2.73Å; L665-I675 HydrophobicContact CD2-CG2 3.96Å; L665-V677 HydrophobicContact CD1-CG2 4.04Å; L665-V677 HydrophobicContact CD2-CG2 4.17Å; L665-T680 HydrophobicContact CD2-CG2 4.22Å; L665-T680 HydrophobicContact CG-CG2 4.18Å; L665-C701 HydrophobicContact CD1-CB 3.98Å; L665-V705 HydrophobicContact CB-CG2 4.36Å; L665-V705 HydrophobicContact CD1-CG2 4.44Å
666L93.7Very high92.7Very high1 Ų120 Ų201%0.0059%0.092CC..Hα-helixtrans-68.6-44.8178.8-65.6-175.9000112.4F626 V629 I662 L664 R668 L669 R670 Y708F626-L666 HydrophobicContact CD1-CD1 3.65Å; F626-L666 HydrophobicContact CE1-CD1 4.05Å; F626-L666 HydrophobicContact CE1-CD2 4.39Å; F626-L666 HydrophobicContact CG-CD1 4.5Å; V629-L666 HydrophobicContact CG1-CD1 4.3Å; I662-L666 HydrophobicContact CG2-CD1 3.82Å; I662-L666 HydrophobicContact CG2-CG 4.02Å; I662-L666 VanDerWaalsContact O-CG 3.29Å; I662-L666 WeakPolarHBondContact O-CG 3.36Å; I662-L666 PolarHBondContact O-N 2.7Å; L664-L666 VanDerWaalsContact C-N 3.33Å; L664-L666 PolarHBondContact O-N 2.77Å; L666-R668 VanDerWaalsContact C-N 3.26Å; L666-R668 PolarHBondContact O-N 2.92Å; L666-L669 PolarHBondContact O-N 3.33Å; L666-R670 VanDerWaalsContact O-CG 3.26Å; L666-R670 WeakPolarHBondContact O-CG 3.14Å; L666-R670 PolarHBondContact O-N 2.79Å; L666-Y708 HydrophobicContact CD1-CD2 4.31Å; L666-Y708 HydrophobicContact CD1-CE2 4.48Å; L666-Y708 HydrophobicContact CD2-CD1 3.81Å; L666-Y708 HydrophobicContact CD2-CD2 3.57Å; L666-Y708 HydrophobicContact CD2-CE1 4.27Å; L666-Y708 HydrophobicContact CD2-CE2 4.09Å; L666-Y708 HydrophobicContact CD2-CG 3.42Å; L666-Y708 VanDerWaalsContact CD2-CG 3.42Å
667D91.2Very high92.6Very high13 Ų1320 Ų207%0.079%0.092CC..Hα-helixtrans-61.3-39.6175.7-79.9-18.3000111.4Y492 S663 L664 R670 R671Y492-D667 HydrophobicContact CD1-CB 4.37Å; Y492-D667 HydrophobicContact CD2-CB 4.34Å; Y492-D667 HydrophobicContact CG-CB 3.93Å; S663-D667 WeakPolarHBondContact O-CB 3.23Å; S663-D667 PolarHBondContact O-N 2.93Å; L664-D667 PolarHBondContact O-N 3.2Å; D667-R670 IonicContact OD1-CZ 3.49Å; D667-R670 IonicContact OD1-NH1 2.7Å; D667-R670 PolarHBondContact OD1-NH1 3.34Å; D667-R671 WeakPolarHBondContact O-CB 3.47Å; D667-R671 VanDerWaalsContact O-CG 3.29Å; D667-R671 WeakPolarHBondContact O-CG 3.4Å; D667-R671 PolarHBondContact O-N 2.86Å
668R89.7Confident92.3Very high13 Ų1320.9 Ų20.95%0.04910%0.096CC..Hα-helixtrans-66.1-48.4176.4-170.5178.6-174.4-163.7-7.8112D394 Y492 L664 L665 L666 R670 R671 E672D394-R668 IonicContact OD1-CZ 2.73Å; D394-R668 IonicContact OD1-NH1 3.63Å; D394-R668 PolarHBondContact OD1-NH1 2.87Å; D394-R668 IonicContact OD1-NH2 3.47Å; D394-R668 PolarHBondContact OD1-NH2 3.41Å; D394-R668 IonicContact OD2-NH2 3.55Å; D394-R668 PolarHBondContact OD2-NH2 3.03Å; D394-R668 VanDerWaalsContact OD2-NH2 3.07Å; Y492-R668 HydrophobicContact CD2-CB 4.2Å; Y492-R668 HydrophobicContact CE2-CB 3.95Å; Y492-R668 HydrophobicContact CE2-CG 4.12Å; L664-R668 VanDerWaalsContact O-CB 3.24Å; L664-R668 WeakPolarHBondContact O-CB 3.47Å; L664-R668 PolarHBondContact O-N 3Å; L665-R668 PolarHBondContact O-N 3.36Å; L666-R668 VanDerWaalsContact C-N 3.26Å; L666-R668 PolarHBondContact O-N 2.92Å; R668-R670 VanDerWaalsContact C-N 3.32Å; R668-R670 PolarHBondContact O-N 2.68Å; R668-R671 PolarHBondContact O-N 3.24Å; R668-R671 VanDerWaalsContact O-N 3.12Å; R668-E672 HydrophobicContact CG-CB 4.36Å; R668-E672 HydrophobicContact CG-CG 4.15Å; R668-E672 IonicContact CZ-OE2 2.8Å; R668-E672 IonicContact NE-OE1 3.16Å; R668-E672 IonicContact NE-OE2 2.81Å; R668-E672 PolarHBondContact NE-OE2 3.45Å; R668-E672 IonicContact NH2-OE2 3.87Å; R668-E672 PolarHBondContact NH2-OE2 2.92Å; R668-E672 WeakPolarHBondContact O-CB 3.41Å; R668-E672 PolarHBondContact O-N 3.43Å
669L92Very high91.8Very high11 Ų1122 Ų226%0.05810%0.1CC..Hα-helixtrans-58.9-44.3179.2171.956.1000111.4A397 L665 L666 R671 G673 I675 V705 Y708 L709A397-L669 HydrophobicContact CB-CD1 3.63Å; L665-L669 VanDerWaalsContact O-CB 3.25Å; L665-L669 WeakPolarHBondContact O-CB 3.36Å; L665-L669 PolarHBondContact O-N 2.73Å; L666-L669 PolarHBondContact O-N 3.33Å; L669-R671 VanDerWaalsContact C-N 3.28Å; L669-R671 PolarHBondContact O-N 3.09Å; L669-G673 VanDerWaalsContact O-CA 3.32Å; L669-G673 WeakPolarHBondContact O-CA 3.4Å; L669-G673 PolarHBondContact O-N 3.27Å; L669-I675 HydrophobicContact CB-CG1 4.22Å; L669-I675 HydrophobicContact CD1-CD1 3.45Å; L669-I675 VanDerWaalsContact CD1-CD1 3.45Å; L669-I675 HydrophobicContact CD1-CG1 4.05Å; L669-I675 HydrophobicContact CD2-CD1 4.5Å; L669-I675 HydrophobicContact CD2-CG1 4.42Å; L669-I675 HydrophobicContact CG-CD1 4.35Å; L669-I675 HydrophobicContact CG-CG1 4.45Å; L669-V705 HydrophobicContact CD2-CG1 4.42Å; L669-Y708 HydrophobicContact CD2-CD1 3.48Å; L669-Y708 VanDerWaalsContact CD2-CD1 3.48Å; L669-Y708 HydrophobicContact CD2-CE1 4.01Å; L669-Y708 HydrophobicContact CD2-CG 4.5Å; L669-Y708 HydrophobicContact CG-CD1 4.35Å; L669-Y708 HydrophobicContact CG-CE1 4.41Å; L669-L709 HydrophobicContact CD1-CD2 3.87Å; L669-L709 HydrophobicContact CD2-CD2 3.91Å; L669-L709 HydrophobicContact CD2-CG 3.98Å; L669-L709 HydrophobicContact CG-CD2 4.35Å
670R89.6Confident91.5Very high101 Ų10122.7 Ų22.738%0.38111%0.105SC..Hα-helixtrans-61.8-31.5176.6-70.7174.8-157.7141.81.6113.8L666 D667 R668 Y708L666-R670 VanDerWaalsContact O-CG 3.26Å; L666-R670 WeakPolarHBondContact O-CG 3.14Å; L666-R670 PolarHBondContact O-N 2.79Å; D667-R670 IonicContact OD1-CZ 3.49Å; D667-R670 IonicContact OD1-NH1 2.7Å; D667-R670 PolarHBondContact OD1-NH1 3.34Å; R668-R670 VanDerWaalsContact C-N 3.32Å; R668-R670 PolarHBondContact O-N 2.68Å; R670-Y708 WeakPolarHBondContact CD-OH 3.39Å; R670-Y708 HydrophobicContact CG-CE1 4.24Å; R670-Y708 VanDerWaalsContact CG-OH 3.26Å; R670-Y708 WeakPolarHBondContact CG-OH 3.48Å; R670-Y708 PolarHBondContact NE-OH 3.14Å
671R86Confident91.2Very high168 Ų16822.9 Ų22.963%0.63411%0.106SC*.Hα-helixtrans-98.6-37.8-172.1-71.3-68-174.4-178.12.9113.8Y492 F493 D667 R668 L669Y492-R671 HydrophobicContact CE1-CB 4.43Å; Y492-R671 HydrophobicContact CE1-CG 4.22Å; F493-R671 HydrophobicContact CE2-CG 4.26Å; F493-R671 HydrophobicContact CZ-CG 3.86Å; D667-R671 WeakPolarHBondContact O-CB 3.47Å; D667-R671 VanDerWaalsContact O-CG 3.29Å; D667-R671 WeakPolarHBondContact O-CG 3.4Å; D667-R671 PolarHBondContact O-N 2.86Å; R668-R671 PolarHBondContact O-N 3.24Å; R668-R671 VanDerWaalsContact O-N 3.12Å; L669-R671 VanDerWaalsContact C-N 3.28Å; L669-R671 PolarHBondContact O-N 3.09Å
672E88.8Confident90.7Very high31 Ų3123.9 Ų23.915%0.14511%0.111CC..Hα-helixtrans-108.3-13.9-172.5-56.5-175.1-162.500112.6F249 R308 Y492 R668 K674F249-E672 HydrophobicContact CD1-CG 3.69Å; F249-E672 HydrophobicContact CE1-CG 3.88Å; R308-E672 IonicContact CZ-OE1 3.44Å; R308-E672 IonicContact NH1-OE1 2.95Å; R308-E672 PolarHBondContact NH1-OE1 3.2Å; R308-E672 IonicContact NH1-OE2 3.18Å; R308-E672 PolarHBondContact NH1-OE2 3.22Å; Y492-E672 PolarHBondContact OH-OE1 3.3Å; Y492-E672 VanDerWaalsContact OH-OE1 3.09Å; R668-E672 HydrophobicContact CG-CB 4.36Å; R668-E672 HydrophobicContact CG-CG 4.15Å; R668-E672 IonicContact CZ-OE2 2.8Å; R668-E672 IonicContact NE-OE1 3.16Å; R668-E672 IonicContact NE-OE2 2.81Å; R668-E672 PolarHBondContact NE-OE2 3.45Å; R668-E672 IonicContact NH2-OE2 3.87Å; R668-E672 PolarHBondContact NH2-OE2 2.92Å; R668-E672 WeakPolarHBondContact O-CB 3.41Å; R668-E672 PolarHBondContact O-N 3.43Å; E672-K674 HydrophobicContact CB-CB 4.07Å; E672-K674 PolarHBondContact O-N 3.07Å
673G90.4Very high90.1Very high35 Ų3526 Ų2636%0.36112%0.123SC..SBendtrans62.824.7-170.100000112.5A397 L669A397-G673 VanDerWaalsContact CB-O 3.28Å; A397-G673 WeakPolarHBondContact CB-O 3.36Å; A397-G673 PolarHBondContact N-O 3.33Å; L669-G673 VanDerWaalsContact O-CA 3.32Å; L669-G673 WeakPolarHBondContact O-CA 3.4Å; L669-G673 PolarHBondContact O-N 3.27Å
674K90.4Very high89.8Confident17 Ų1726 Ų267%0.07412%0.123CC..EExtended strand (participates in β ladder)trans-140.2153.8-169.9-73.8177.2171.3-173.50112.6I395 D396 E672I395-K674 CarbonylContact O-C 3.52Å; I395-K674 VanDerWaalsContact O-CA 3.31Å; I395-K674 WeakPolarHBondContact O-CA 3.49Å; D396-K674 WeakPolarHBondContact OD1-CE 2.96Å; E672-K674 HydrophobicContact CB-CB 4.07Å; E672-K674 PolarHBondContact O-N 3.07Å
675I91.9Very high89.5Confident0 Ų027.1 Ų27.10%013%0.128CC..EExtended strand (participates in β ladder)trans-135.7143.9-175.6-55.688.1000109.2I395 A397 L665 L669 V677 V705I395-I675 PolarHBondContact N-O 3.08Å; I395-I675 PolarHBondContact O-N 2.82Å; A397-I675 HydrophobicContact CB-CD1 3.98Å; L665-I675 HydrophobicContact CD2-CG2 3.96Å; L669-I675 HydrophobicContact CB-CG1 4.22Å; L669-I675 HydrophobicContact CD1-CD1 3.45Å; L669-I675 VanDerWaalsContact CD1-CD1 3.45Å; L669-I675 HydrophobicContact CD1-CG1 4.05Å; L669-I675 HydrophobicContact CD2-CD1 4.5Å; L669-I675 HydrophobicContact CD2-CG1 4.42Å; L669-I675 HydrophobicContact CG-CD1 4.35Å; L669-I675 HydrophobicContact CG-CG1 4.45Å; I675-V677 HydrophobicContact CG2-CG2 4.03Å; I675-V705 HydrophobicContact CB-CG1 4.43Å; I675-V705 HydrophobicContact CD1-CG1 4.25Å; I675-V705 HydrophobicContact CG1-CG1 3.72Å; I675-V705 HydrophobicContact CG1-CG2 4.47Å; I675-V705 HydrophobicContact CG2-CG1 4.08Å; I675-V705 HydrophobicContact CG2-CG2 3.8Å
676D90.7Very high89.1Confident2 Ų228.4 Ų28.41%0.01114%0.136CC..  trans-150.391.9170-171.9-27.2000108T393 F678 K679 T680T393-D676 WeakPolarHBondContact CB-OD2 3.23Å; T393-D676 VanDerWaalsContact O-CG 3.3Å; T393-D676 VanDerWaalsContact OG1-CG 3.25Å; T393-D676 PolarHBondContact OG1-OD1 3.27Å; T393-D676 PolarHBondContact OG1-OD2 2.9Å; D676-F678 PolarHBondContact OD1-N 3.43Å; D676-K679 WeakPolarHBondContact OD1-CB 3.49Å; D676-K679 PolarHBondContact OD1-N 3.32Å; D676-K679 WeakPolarHBondContact OD2-CB 3.18Å; D676-K679 WeakPolarHBondContact OD2-CD 3.2Å; D676-K679 VanDerWaalsContact OD2-CG 3.3Å; D676-K679 WeakPolarHBondContact OD2-CG 3.19Å; D676-T680 WeakPolarHBondContact O-CB 3.43Å; D676-T680 PolarHBondContact O-N 2.93Å; D676-T680 PolarHBondContact O-OG1 2.65Å
677V92.8Very high88.8Confident0 Ų029.5 Ų29.50%014%0.141CC..Hα-helixtrans-66.6-46.1-179.3178.70000109.6L665 I675 T680 V681 Y698 C701 Y702L665-V677 HydrophobicContact CD1-CG2 4.04Å; L665-V677 HydrophobicContact CD2-CG2 4.17Å; I675-V677 HydrophobicContact CG2-CG2 4.03Å; V677-T680 PolarHBondContact O-N 3.26Å; V677-V681 HydrophobicContact CG1-CG2 4.16Å; V677-V681 WeakPolarHBondContact O-CB 3.37Å; V677-V681 WeakPolarHBondContact O-CG2 3.28Å; V677-V681 PolarHBondContact O-N 3Å; V677-Y698 HydrophobicContact CG1-CD2 4.28Å; V677-Y698 HydrophobicContact CG1-CE1 4.48Å; V677-Y698 HydrophobicContact CG1-CE2 3.83Å; V677-C701 HydrophobicContact CG1-CB 3.63Å; V677-C701 HydrophobicContact CG2-CB 4.4Å; V677-Y702 HydrophobicContact CB-CD2 4.19Å; V677-Y702 HydrophobicContact CB-CE1 4.08Å; V677-Y702 HydrophobicContact CB-CE2 3.61Å; V677-Y702 HydrophobicContact CG1-CD2 4.06Å; V677-Y702 HydrophobicContact CG1-CE2 3.73Å; V677-Y702 HydrophobicContact CG2-CD1 3.77Å; V677-Y702 HydrophobicContact CG2-CD2 4.04Å; V677-Y702 HydrophobicContact CG2-CE1 3.63Å; V677-Y702 HydrophobicContact CG2-CE2 3.86Å; V677-Y702 HydrophobicContact CG2-CG 4Å
678F88.7Confident88.8Confident19 Ų1928.9 Ų28.98%0.08314%0.138CC..Hα-helixtrans-53.8-59.1-178.8179.7-101.6000113.2F390 T393 E424 V427 D676 T680 V681 K682 Y698F390-F678 HydrophobicContact CB-CE1 4.14Å; F390-F678 AromaticContact CD1-CE1 3.57Å; F390-F678 HydrophobicContact CD1-CE1 3.57Å; F390-F678 AromaticContact CD1-CZ 3.57Å; F390-F678 HydrophobicContact CD1-CZ 3.57Å; F390-F678 HydrophobicContact CE1-CE1 4.21Å; F390-F678 AromaticContact CE1-CZ 3.86Å; F390-F678 HydrophobicContact CE1-CZ 3.86Å; F390-F678 AromaticContact CG-CE1 3.79Å; F390-F678 HydrophobicContact CG-CE1 3.79Å; F390-F678 HydrophobicContact CG-CZ 4.26Å; T393-F678 HydrophobicContact CG2-CD1 3.9Å; E424-F678 HydrophobicContact CG-CD2 3.74Å; E424-F678 HydrophobicContact CG-CE2 4.36Å; E424-F678 HydrophobicContact CG-CG 4.41Å; V427-F678 HydrophobicContact CB-CE2 4.24Å; V427-F678 HydrophobicContact CG1-CE2 4.45Å; V427-F678 HydrophobicContact CG1-CZ 4.32Å; V427-F678 HydrophobicContact CG2-CE2 4.39Å; D676-F678 PolarHBondContact OD1-N 3.43Å; F678-T680 VanDerWaalsContact C-N 3.34Å; F678-T680 PolarHBondContact O-N 3.15Å; F678-V681 PolarHBondContact O-N 2.88Å; F678-K682 HydrophobicContact CE1-CD 4.29Å; F678-K682 HydrophobicContact CZ-CD 4.25Å; F678-K682 WeakPolarHBondContact O-CB 3.27Å; F678-K682 PolarHBondContact O-N 2.88Å; F678-Y698 WeakPolarHBondContact CA-OH 3.28Å; F678-Y698 WeakPolarHBondContact CB-OH 3.24Å; F678-Y698 PolarHBondContact N-OH 3.37Å
679K85.8Confident88.8Confident24 Ų2429 Ų2910%0.10414%0.141CC..Hα-helixtrans-69.3-33-178.7-68.3-174.4178.5132.70111.9F304 G391 T393 D676 T683F304-K679 HydrophobicContact CB-CD 4.27Å; F304-K679 HydrophobicContact CD1-CB 4.36Å; F304-K679 HydrophobicContact CD1-CD 3.47Å; F304-K679 VanDerWaalsContact CD1-CD 3.47Å; F304-K679 HydrophobicContact CD1-CG 3.74Å; F304-K679 HydrophobicContact CE1-CD 4.15Å; F304-K679 HydrophobicContact CE1-CG 4.04Å; F304-K679 HydrophobicContact CG-CB 4.44Å; F304-K679 HydrophobicContact CG-CD 4.12Å; F304-K679 HydrophobicContact CG-CG 4.3Å; G391-K679 PolarHBondContact O-NZ 3.45Å; T393-K679 VanDerWaalsContact OG1-CD 3.22Å; T393-K679 WeakPolarHBondContact OG1-CD 3.39Å; T393-K679 WeakPolarHBondContact OG1-CE 3.28Å; T393-K679 WeakPolarHBondContact OG1-CG 3.48Å; T393-K679 PolarHBondContact OG1-NZ 3.22Å; D676-K679 WeakPolarHBondContact OD1-CB 3.49Å; D676-K679 PolarHBondContact OD1-N 3.32Å; D676-K679 WeakPolarHBondContact OD2-CB 3.18Å; D676-K679 WeakPolarHBondContact OD2-CD 3.2Å; D676-K679 VanDerWaalsContact OD2-CG 3.3Å; D676-K679 WeakPolarHBondContact OD2-CG 3.19Å; K679-T683 WeakPolarHBondContact O-CB 3.4Å; K679-T683 PolarHBondContact O-N 3.35Å; K679-T683 PolarHBondContact O-OG1 3.04Å
680T89.3Confident88.7Confident17 Ų1733.8 Ų33.810%0.10416%0.159CC..Hα-helixtrans-62.2-50.5176.2-610000110.4L664 L665 D676 V677 F678 T683 L684L664-T680 HydrophobicContact CB-CG2 3.89Å; L664-T680 HydrophobicContact CD1-CG2 4.03Å; L665-T680 HydrophobicContact CD2-CG2 4.22Å; L665-T680 HydrophobicContact CG-CG2 4.18Å; D676-T680 WeakPolarHBondContact O-CB 3.43Å; D676-T680 PolarHBondContact O-N 2.93Å; D676-T680 PolarHBondContact O-OG1 2.65Å; V677-T680 PolarHBondContact O-N 3.26Å; F678-T680 VanDerWaalsContact C-N 3.34Å; F678-T680 PolarHBondContact O-N 3.15Å; T680-T683 PolarHBondContact O-N 2.88Å; T680-L684 HydrophobicContact CG2-CD1 4.39Å; T680-L684 WeakPolarHBondContact O-CG 3.37Å; T680-L684 PolarHBondContact O-N 3.25Å; T680-L684 VanDerWaalsContact O-N 3.11Å
681V90.4Very high88.7Confident4 Ų429 Ų292%0.02414%0.14CC..Hα-helixtrans-62.4-47.4178.2170.50000111V677 F678 T683 L684 Q685 V692 Y698V677-V681 HydrophobicContact CG1-CG2 4.16Å; V677-V681 WeakPolarHBondContact O-CB 3.37Å; V677-V681 WeakPolarHBondContact O-CG2 3.28Å; V677-V681 PolarHBondContact O-N 3Å; F678-V681 PolarHBondContact O-N 2.88Å; V681-T683 VanDerWaalsContact C-N 3.33Å; V681-T683 PolarHBondContact O-N 2.82Å; V681-L684 PolarHBondContact O-N 2.9Å; V681-L684 VanDerWaalsContact O-N 3.12Å; V681-Q685 HydrophobicContact CG1-CG 4.26Å; V681-Q685 WeakPolarHBondContact O-CG 3.44Å; V681-Q685 PolarHBondContact O-N 3.07Å; V681-V692 HydrophobicContact CG1-CB 3.88Å; V681-V692 HydrophobicContact CG1-CG1 4.12Å; V681-V692 HydrophobicContact CG2-CB 4.23Å; V681-V692 HydrophobicContact CG2-CG1 4.08Å; V681-V692 HydrophobicContact CG2-CG2 4.23Å; V681-Y698 HydrophobicContact CB-CD2 4.5Å; V681-Y698 HydrophobicContact CB-CE2 4.17Å; V681-Y698 HydrophobicContact CG1-CD2 4.35Å; V681-Y698 HydrophobicContact CG1-CE2 4.34Å; V681-Y698 HydrophobicContact CG2-CD2 4.11Å; V681-Y698 HydrophobicContact CG2-CE2 4.04Å
682K84Confident88.9Confident22 Ų2221 Ų2110%0.09611%0.11CC..Hα-helixtrans-60.1-42.3179-171.1166.7179.7172.70112.2F304 L437 F678 L684 Q685 V686F304-K682 HydrophobicContact CE2-CD 4.14Å; F304-K682 HydrophobicContact CE2-CG 4.1Å; F304-K682 HydrophobicContact CZ-CD 3.63Å; F304-K682 HydrophobicContact CZ-CG 4.11Å; L437-K682 PolarHBondContact O-NZ 3.37Å; F678-K682 HydrophobicContact CE1-CD 4.29Å; F678-K682 HydrophobicContact CZ-CD 4.25Å; F678-K682 WeakPolarHBondContact O-CB 3.27Å; F678-K682 PolarHBondContact O-N 2.88Å; K682-L684 VanDerWaalsContact C-N 3.29Å; K682-L684 PolarHBondContact O-N 3.36Å; K682-Q685 PolarHBondContact O-N 3.24Å; K682-V686 WeakPolarHBondContact O-CG1 3.45Å; K682-V686 PolarHBondContact O-N 3Å
683T83.3Confident88.9Confident44 Ų4422.5 Ų22.527%0.2713%0.125SC..Hα-helixtrans-63.7-33.8177.2-61.50000112.3F304 K679 T680 V681 V686 Q687F304-T683 WeakPolarHBondContact CD2-OG1 3.46Å; K679-T683 WeakPolarHBondContact O-CB 3.4Å; K679-T683 PolarHBondContact O-N 3.35Å; K679-T683 PolarHBondContact O-OG1 3.04Å; T680-T683 PolarHBondContact O-N 2.88Å; V681-T683 VanDerWaalsContact C-N 3.33Å; V681-T683 PolarHBondContact O-N 2.82Å; T683-V686 WeakPolarHBondContact O-CG2 3.47Å; T683-Q687 WeakPolarHBondContact O-CG 3.4Å; T683-Q687 PolarHBondContact O-NE2 3.14Å
684L89.2Confident88.8Confident1 Ų122 Ų221%0.00512%0.115CC..Hα-helixtrans-74.8-42.9175.6-68.9174.2000111.9V489 C660 A661 L664 T680 V681 K682 V686 Q687 R688 I691V489-L684 HydrophobicContact CG1-CD2 3.31Å; C660-L684 HydrophobicContact CB-CD1 4.4Å; C660-L684 VanDerWaalsContact SG-CD2 3.56Å; A661-L684 HydrophobicContact CB-CD1 3.73Å; L664-L684 HydrophobicContact CD1-CD1 4.09Å; L664-L684 HydrophobicContact CD1-CD2 3.74Å; L664-L684 HydrophobicContact CD1-CG 4.09Å; T680-L684 HydrophobicContact CG2-CD1 4.39Å; T680-L684 WeakPolarHBondContact O-CG 3.37Å; T680-L684 PolarHBondContact O-N 3.25Å; T680-L684 VanDerWaalsContact O-N 3.11Å; V681-L684 PolarHBondContact O-N 2.9Å; V681-L684 VanDerWaalsContact O-N 3.12Å; K682-L684 VanDerWaalsContact C-N 3.29Å; K682-L684 PolarHBondContact O-N 3.36Å; L684-V686 PolarHBondContact O-N 3.18Å; L684-Q687 WeakPolarHBondContact O-CA 3.44Å; L684-Q687 WeakPolarHBondContact O-CB 3.43Å; L684-Q687 PolarHBondContact O-N 2.97Å; L684-R688 PolarHBondContact O-N 3.43Å; L684-R688 VanDerWaalsContact O-N 3.1Å; L684-I691 HydrophobicContact CB-CB 4.44Å; L684-I691 HydrophobicContact CB-CD1 3.85Å; L684-I691 HydrophobicContact CB-CG2 3.76Å; L684-I691 HydrophobicContact CD1-CG2 4.15Å
685Q88Confident88.7Confident46 Ų4623.9 Ų23.922%0.21513%0.126CC..Hα-helixtrans-61-28.6-178.8-75.6178-9.200113.8Y465 V681 K682 Q687 R688 I691 V692Y465-Q685 WeakPolarHBondContact CE2-O 3.4Å; Y465-Q685 PolarHBondContact OH-O 3.46Å; V681-Q685 HydrophobicContact CG1-CG 4.26Å; V681-Q685 WeakPolarHBondContact O-CG 3.44Å; V681-Q685 PolarHBondContact O-N 3.07Å; K682-Q685 PolarHBondContact O-N 3.24Å; Q685-Q687 VanDerWaalsContact C-N 3.25Å; Q685-Q687 PolarHBondContact O-N 3.46Å; Q685-R688 CarbonylContact C-O 3.57Å; Q685-R688 WeakPolarHBondContact CA-O 3.37Å; Q685-R688 CarbonylContact O-C 3.52Å; Q685-R688 VanDerWaalsContact O-O 3.12Å; Q685-I691 HydrophobicContact CG-CB 4.19Å; Q685-I691 WeakPolarHBondContact CG-O 3.46Å; Q685-I691 PolarHBondContact NE2-O 2.62Å; Q685-V692 PolarHBondContact NE2-O 2.66Å
686V84.6Confident88.7Confident28 Ų2825.9 Ų25.917%0.1714%0.142CC..THydrogen-bonded Turntrans-76.6-12.5174.5-58.90000112.9E440 Y465 R467 K682 T683 L684E440-V686 HydrophobicContact CB-CG1 4.36Å; E440-V686 HydrophobicContact CG-CG1 3.92Å; Y465-V686 WeakPolarHBondContact CD2-O 2.96Å; Y465-V686 WeakPolarHBondContact CE2-O 3.2Å; R467-V686 PolarHBondContact NH2-O 3.32Å; K682-V686 WeakPolarHBondContact O-CG1 3.45Å; K682-V686 PolarHBondContact O-N 3Å; T683-V686 WeakPolarHBondContact O-CG2 3.47Å; L684-V686 PolarHBondContact O-N 3.18Å
687Q88.2Confident88.8Confident24 Ų2425.8 Ų25.811%0.11214%0.142CC..THydrogen-bonded Turntrans-101.4-26.9179.5-60.8175.636.900112.6Y465 N468 V489 T683 L684 Q685Y465-Q687 VanDerWaalsContact CD2-C 3.47Å; Y465-Q687 WeakPolarHBondContact CD2-O 3.28Å; N468-Q687 VanDerWaalsContact CB-O 3.28Å; N468-Q687 WeakPolarHBondContact CB-O 3.47Å; N468-Q687 VanDerWaalsContact CG-O 3.3Å; V489-Q687 VanDerWaalsContact CA-OE1 3.24Å; V489-Q687 HydrophobicContact CG2-CB 4.24Å; T683-Q687 WeakPolarHBondContact O-CG 3.4Å; T683-Q687 PolarHBondContact O-NE2 3.14Å; L684-Q687 WeakPolarHBondContact O-CA 3.44Å; L684-Q687 WeakPolarHBondContact O-CB 3.43Å; L684-Q687 PolarHBondContact O-N 2.97Å; Q685-Q687 VanDerWaalsContact C-N 3.25Å; Q685-Q687 PolarHBondContact O-N 3.46Å
688R90.8Very high88.8Confident0 Ų026 Ų260%014%0.143CC..BIsolated β-bridgetrans-154.1139.7170.1-171.5175.4178.185.50.4111.1N485 S487 D651 G652 S653 L684 Q685 I691N485-R688 PolarHBondContact OD1-NH1 3.07Å; N485-R688 PolarHBondContact OD1-NH2 2.96Å; S487-R688 PolarHBondContact OG-NH1 2.62Å; D651-R688 PolarHBondContact O-NH2 2.59Å; G652-R688 WeakPolarHBondContact O-CD 3.44Å; G652-R688 PolarHBondContact O-NE 2.91Å; S653-R688 PolarHBondContact OG-NE 2.77Å; L684-R688 PolarHBondContact O-N 3.43Å; L684-R688 VanDerWaalsContact O-N 3.1Å; Q685-R688 CarbonylContact C-O 3.57Å; Q685-R688 WeakPolarHBondContact CA-O 3.37Å; Q685-R688 CarbonylContact O-C 3.52Å; Q685-R688 VanDerWaalsContact O-O 3.12Å; R688-I691 HydrophobicContact CB-CD1 3.93Å; R688-I691 HydrophobicContact CB-CG1 4.36Å
689S90Very high89.1Confident15 Ų1527.4 Ų27.411%0.10515%0.151CC..THydrogen-bonded Turntrans-64.7154.5178560000112.5Y465 S653 I691Y465-S689 WeakPolarHBondContact OH-CA 3.17Å; Y465-S689 PolarHBondContact OH-N 2.91Å; S653-S689 VanDerWaalsContact CB-O 3.25Å; S653-S689 WeakPolarHBondContact CB-O 3.32Å; S653-S689 PolarHBondContact OG-O 3.31Å; S689-I691 VanDerWaalsContact C-N 3.26Å; S689-I691 PolarHBondContact O-N 3.3Å
690Y89.5Confident89.6Confident111 Ų11127.3 Ų27.344%0.43515%0.151SC..THydrogen-bonded Turntrans64.117.2174.5-59.5-89.7000116.2S461 I462 V692S461-Y690 WeakPolarHBondContact O-CE2 3.5Å; I462-Y690 HydrophobicContact CB-CD2 4.43Å; I462-Y690 HydrophobicContact CD1-CD2 4.35Å; I462-Y690 HydrophobicContact CD1-CG 4.45Å; I462-Y690 HydrophobicContact CG1-CD2 3.74Å; I462-Y690 HydrophobicContact CG1-CE2 3.9Å; I462-Y690 HydrophobicContact CG1-CG 4.32Å; I462-Y690 HydrophobicContact CG2-CD2 4.37Å; Y690-V692 PolarHBondContact O-N 3.33Å
691I90.3Very high89.9Confident0 Ų026.5 Ų26.50%015%0.146CC..THydrogen-bonded Turntrans-72.6126.2169-67.4-176.3000109.7L498 L684 Q685 R688 S689 S693L498-I691 HydrophobicContact CD1-CD1 3.72Å; L498-I691 HydrophobicContact CD1-CG1 4.47Å; L684-I691 HydrophobicContact CB-CB 4.44Å; L684-I691 HydrophobicContact CB-CD1 3.85Å; L684-I691 HydrophobicContact CB-CG2 3.76Å; L684-I691 HydrophobicContact CD1-CG2 4.15Å; Q685-I691 HydrophobicContact CG-CB 4.19Å; Q685-I691 WeakPolarHBondContact CG-O 3.46Å; Q685-I691 PolarHBondContact NE2-O 2.62Å; R688-I691 HydrophobicContact CB-CD1 3.93Å; R688-I691 HydrophobicContact CB-CG1 4.36Å; S689-I691 VanDerWaalsContact C-N 3.26Å; S689-I691 PolarHBondContact O-N 3.3Å; I691-S693 PolarHBondContact O-N 3.36Å
692V90.8Very high90.2Very high0 Ų026.4 Ų26.40%015%0.145CC..THydrogen-bonded Turntrans47.359.6178.8-173.90000110L658 A661 V681 Q685 Y690 S694 Q697 Y698L658-V692 HydrophobicContact CD1-CG2 4.42Å; A661-V692 HydrophobicContact CB-CG2 4.07Å; V681-V692 HydrophobicContact CG1-CB 3.88Å; V681-V692 HydrophobicContact CG1-CG1 4.12Å; V681-V692 HydrophobicContact CG2-CB 4.23Å; V681-V692 HydrophobicContact CG2-CG1 4.08Å; V681-V692 HydrophobicContact CG2-CG2 4.23Å; Q685-V692 PolarHBondContact NE2-O 2.66Å; Y690-V692 PolarHBondContact O-N 3.33Å; V692-S694 VanDerWaalsContact C-N 3.33Å; V692-Q697 HydrophobicContact CG1-CB 3.89Å; V692-Y698 HydrophobicContact CG1-CD2 4.1Å
693S87Confident90.8Very high64 Ų6428 Ų2845%0.44815%0.153SC..  trans-91.26.5-171.758.50000113.9I691I691-S693 PolarHBondContact O-N 3.36Å
694S89.2Confident91.4Very high23 Ų2325.9 Ų25.916%0.16114%0.14CC..SBendtrans-130148.5179.964.60000111.1P616 V692 A696 Q697 Y698P616-S694 WeakPolarHBondContact CB-OG 3.47Å; P616-S694 VanDerWaalsContact CG-OG 3.28Å; P616-S694 WeakPolarHBondContact CG-OG 3.06Å; V692-S694 VanDerWaalsContact C-N 3.33Å; S694-A696 PolarHBondContact O-N 2.81Å; S694-Q697 PolarHBondContact O-N 3.18Å; S694-Q697 WeakPolarHBondContact OG-CB 3.41Å; S694-Q697 WeakPolarHBondContact OG-CG 3.3Å; S694-Q697 PolarHBondContact OG-N 3.43Å; S694-Q697 PolarHBondContact OG-OE1 3.31Å; S694-Q697 VanDerWaalsContact OG-OE1 3.14Å; S694-Y698 PolarHBondContact O-N 2.76Å; S694-Y698 VanDerWaalsContact O-N 3.07Å
695L89.2Confident91.7Very high58 Ų5825.9 Ų25.930%0.30414%0.14SC..Hα-helixtrans-59.1-38176.3-178.967.6000111.5M421 E422 F425 Q697 Y698 D699M421-L695 HydrophobicContact CG-CD1 4.15Å; E422-L695 HydrophobicContact CG-CD1 4.09Å; E422-L695 HydrophobicContact CG-CD2 3.46Å; E422-L695 VanDerWaalsContact CG-CD2 3.46Å; E422-L695 HydrophobicContact CG-CG 4.42Å; F425-L695 HydrophobicContact CB-CD1 3.81Å; F425-L695 HydrophobicContact CD1-CB 4.08Å; F425-L695 HydrophobicContact CD1-CD1 4.01Å; F425-L695 HydrophobicContact CE1-CB 4.18Å; F425-L695 HydrophobicContact CG-CD1 3.94Å; L695-Q697 PolarHBondContact O-N 3.48Å; L695-Y698 WeakPolarHBondContact O-CB 3.34Å; L695-Y698 PolarHBondContact O-N 3.34Å; L695-Y698 VanDerWaalsContact O-N 3.15Å; L695-D699 WeakPolarHBondContact O-CB 3.49Å; L695-D699 PolarHBondContact O-N 3.09Å
696A91.6Very high92Very high41 Ų4124.7 Ų24.734%0.33914%0.135SC..Hα-helixtrans-62.9-40.2178.700000112.4P616 L618 S694 Y698 F700P616-A696 HydrophobicContact CG-CB 3.81Å; L618-A696 HydrophobicContact CD1-CB 4.3Å; S694-A696 PolarHBondContact O-N 2.81Å; A696-Y698 VanDerWaalsContact C-N 3.34Å; A696-F700 WeakPolarHBondContact O-CB 3.26Å; A696-F700 PolarHBondContact O-N 3.11Å
697Q93Very high92.6Very high1 Ų125.1 Ų25.11%0.00514%0.136CC..Hα-helixtrans-67.8-36.1173.3-73.2173.3-32.200112.3P616 L618 L658 V692 S694 L695 F700 C701P616-Q697 HydrophobicContact CB-CG 4.07Å; L618-Q697 HydrophobicContact CD2-CB 4.42Å; L618-Q697 HydrophobicContact CD2-CG 3.73Å; L658-Q697 HydrophobicContact CD1-CB 4.2Å; L658-Q697 HydrophobicContact CD2-CG 4.34Å; V692-Q697 HydrophobicContact CG1-CB 3.89Å; S694-Q697 PolarHBondContact O-N 3.18Å; S694-Q697 WeakPolarHBondContact OG-CB 3.41Å; S694-Q697 WeakPolarHBondContact OG-CG 3.3Å; S694-Q697 PolarHBondContact OG-N 3.43Å; S694-Q697 PolarHBondContact OG-OE1 3.31Å; S694-Q697 VanDerWaalsContact OG-OE1 3.14Å; L695-Q697 PolarHBondContact O-N 3.48Å; Q697-F700 PolarHBondContact O-N 3.41Å; Q697-C701 PolarHBondContact O-N 3.09Å; Q697-C701 VanDerWaalsContact O-N 3.09Å; Q697-C701 PolarHBondContact O-SG 3.26Å
698Y93Very high92.8Very high4 Ų425 Ų252%0.01614%0.135CC..Hα-helixtrans-65.5-49177.5-166.4-99.5000111.6M421 E424 F425 V677 F678 V681 V692 S694 L695 A696 F700 C701 Y702M421-Y698 HydrophobicContact CG-CD1 4.1Å; M421-Y698 HydrophobicContact CG-CE1 4.36Å; E424-Y698 WeakPolarHBondContact OE1-CE1 3.24Å; E424-Y698 VanDerWaalsContact OE1-CZ 3.31Å; E424-Y698 PolarHBondContact OE1-OH 3.49Å; F425-Y698 HydrophobicContact CB-CD1 4.02Å; F425-Y698 HydrophobicContact CB-CE1 4.32Å; F425-Y698 HydrophobicContact CB-CG 4.28Å; F425-Y698 HydrophobicContact CD2-CD1 4.15Å; F425-Y698 AromaticContact CD2-CD2 3.71Å; F425-Y698 HydrophobicContact CD2-CD2 3.71Å; F425-Y698 HydrophobicContact CD2-CE2 4.46Å; F425-Y698 AromaticContact CD2-CG 3.53Å; F425-Y698 HydrophobicContact CD2-CG 3.53Å; F425-Y698 HydrophobicContact CE2-CD2 4.38Å; F425-Y698 HydrophobicContact CE2-CG 4.33Å; F425-Y698 HydrophobicContact CG-CD1 4.49Å; F425-Y698 HydrophobicContact CG-CG 4.28Å; V677-Y698 HydrophobicContact CG1-CD2 4.28Å; V677-Y698 HydrophobicContact CG1-CE1 4.48Å; V677-Y698 HydrophobicContact CG1-CE2 3.83Å; F678-Y698 WeakPolarHBondContact CA-OH 3.28Å; F678-Y698 WeakPolarHBondContact CB-OH 3.24Å; F678-Y698 PolarHBondContact N-OH 3.37Å; V681-Y698 HydrophobicContact CB-CD2 4.5Å; V681-Y698 HydrophobicContact CB-CE2 4.17Å; V681-Y698 HydrophobicContact CG1-CD2 4.35Å; V681-Y698 HydrophobicContact CG1-CE2 4.34Å; V681-Y698 HydrophobicContact CG2-CD2 4.11Å; V681-Y698 HydrophobicContact CG2-CE2 4.04Å; V692-Y698 HydrophobicContact CG1-CD2 4.1Å; S694-Y698 PolarHBondContact O-N 2.76Å; S694-Y698 VanDerWaalsContact O-N 3.07Å; L695-Y698 WeakPolarHBondContact O-CB 3.34Å; L695-Y698 PolarHBondContact O-N 3.34Å; L695-Y698 VanDerWaalsContact O-N 3.15Å; A696-Y698 VanDerWaalsContact C-N 3.34Å; Y698-F700 VanDerWaalsContact C-N 3.3Å; Y698-F700 PolarHBondContact O-N 2.94Å; Y698-C701 VanDerWaalsContact O-CB 3.27Å; Y698-C701 WeakPolarHBondContact O-CB 3.21Å; Y698-C701 PolarHBondContact O-N 3.21Å; Y698-C701 VanDerWaalsContact O-N 3.08Å; Y698-Y702 HydrophobicContact CD1-CE2 4.26Å; Y698-Y702 HydrophobicContact CE1-CD2 4.35Å; Y698-Y702 AromaticContact CE1-CE2 3.67Å; Y698-Y702 HydrophobicContact CE1-CE2 3.67Å
699D94.5Very high92.9Very high49 Ų4927.3 Ų27.326%0.26215%0.147SC..Hα-helixtrans-61.2-39.4173.5-174.331.6000111.6R408 M421 L695 C701 Y702 Q703R408-D699 IonicContact CZ-OD1 3.17Å; R408-D699 IonicContact NE-OD1 2.84Å; R408-D699 PolarHBondContact NE-OD1 3.01Å; R408-D699 IonicContact NE-OD2 3.85Å; R408-D699 IonicContact NH2-OD1 2.7Å; R408-D699 PolarHBondContact NH2-OD1 2.7Å; R408-D699 IonicContact NH2-OD2 3.6Å; M421-D699 HydrophobicContact CE-CB 4.49Å; M421-D699 WeakPolarHBondContact CE-OD1 3.34Å; M421-D699 HydrophobicContact SD-CB 3.56Å; M421-D699 VanDerWaalsContact SD-CB 3.56Å; M421-D699 VanDerWaalsContact SD-OD1 3.38Å; L695-D699 WeakPolarHBondContact O-CB 3.49Å; L695-D699 PolarHBondContact O-N 3.09Å; D699-C701 PolarHBondContact O-N 2.93Å; D699-Y702 WeakPolarHBondContact O-CB 3.35Å; D699-Y702 PolarHBondContact O-N 3.39Å; D699-Q703 PolarHBondContact O-N 3.39Å
700F95.8Very high92.9Very high22 Ų2232.4 Ų32.410%0.09617%0.169CC..Hα-helixtrans-61.6-29.1175-171.1-97.1000112.9L618 P619 T622 L625 L658 A696 Q697 Y698 Q703 C704L618-F700 HydrophobicContact CB-CD2 4.45Å; L618-F700 HydrophobicContact CD1-CB 4.2Å; L618-F700 HydrophobicContact CD1-CD2 4.12Å; L618-F700 HydrophobicContact CD1-CG 4.35Å; L618-F700 HydrophobicContact CD2-CB 3.92Å; L618-F700 HydrophobicContact CD2-CD1 4.35Å; L618-F700 HydrophobicContact CD2-CD2 4.42Å; L618-F700 HydrophobicContact CD2-CG 3.98Å; P619-F700 HydrophobicContact CB-CZ 4.01Å; P619-F700 HydrophobicContact CG-CE1 3.89Å; P619-F700 HydrophobicContact CG-CZ 3.83Å; T622-F700 HydrophobicContact CG2-CE2 3.91Å; T622-F700 HydrophobicContact CG2-CZ 3.8Å; L625-F700 HydrophobicContact CD2-CE1 4.15Å; L658-F700 HydrophobicContact CD1-CD1 4.16Å; L658-F700 HydrophobicContact CD2-CD1 4.07Å; L658-F700 HydrophobicContact CD2-CE1 4.38Å; L658-F700 HydrophobicContact CG-CD1 4.49Å; A696-F700 WeakPolarHBondContact O-CB 3.26Å; A696-F700 PolarHBondContact O-N 3.11Å; Q697-F700 PolarHBondContact O-N 3.41Å; Y698-F700 VanDerWaalsContact C-N 3.3Å; Y698-F700 PolarHBondContact O-N 2.94Å; F700-Q703 PolarHBondContact O-N 2.75Å; F700-C704 WeakPolarHBondContact CE1-SG 3.27Å; F700-C704 WeakPolarHBondContact O-CB 3.43Å; F700-C704 PolarHBondContact O-N 2.84Å; F700-C704 PolarHBondContact O-SG 3.31Å; F700-C704 VanDerWaalsContact O-SG 3.36Å
701C96.3Very high92.7Very high0 Ų030.9 Ų30.90%017%0.174CC..Hα-helixtrans-62.9-43.8171.8-64.70000111.9I662 L665 V677 Q697 Y698 D699 V705I662-C701 HydrophobicContact CD1-CB 4.06Å; L665-C701 HydrophobicContact CD1-CB 3.98Å; V677-C701 HydrophobicContact CG1-CB 3.63Å; V677-C701 HydrophobicContact CG2-CB 4.4Å; Q697-C701 PolarHBondContact O-N 3.09Å; Q697-C701 VanDerWaalsContact O-N 3.09Å; Q697-C701 PolarHBondContact O-SG 3.26Å; Y698-C701 VanDerWaalsContact O-CB 3.27Å; Y698-C701 WeakPolarHBondContact O-CB 3.21Å; Y698-C701 PolarHBondContact O-N 3.21Å; Y698-C701 VanDerWaalsContact O-N 3.08Å; D699-C701 PolarHBondContact O-N 2.93Å; C701-V705 WeakPolarHBondContact O-CG2 3.47Å; C701-V705 PolarHBondContact O-N 2.91Å
702Y95.9Very high91.9Very high2 Ų237.5 Ų37.51%0.00820%0.204CC..Hα-helixtrans-66.1-41.5173.1-79-75.8000112.1I400 H403 V404 L407 M421 E424 V677 Y698 D699 C704 V705 L706I400-Y702 HydrophobicContact CD1-CD1 4.13Å; I400-Y702 HydrophobicContact CD1-CE1 4.07Å; H403-Y702 AromaticContact CD2-CE1 3.9Å; V404-Y702 HydrophobicContact CG2-CD1 3.38Å; V404-Y702 HydrophobicContact CG2-CE1 4.15Å; V404-Y702 HydrophobicContact CG2-CG 3.93Å; L407-Y702 HydrophobicContact CD1-CD2 4.47Å; L407-Y702 HydrophobicContact CD1-CE1 3.89Å; L407-Y702 HydrophobicContact CD1-CE2 3.82Å; L407-Y702 VanDerWaalsContact CD1-CZ 3.47Å; M421-Y702 HydrophobicContact CE-CD2 3.74Å; M421-Y702 HydrophobicContact CE-CE2 4.3Å; M421-Y702 HydrophobicContact CE-CG 4.21Å; E424-Y702 PolarHBondContact OE1-OH 2.74Å; V677-Y702 HydrophobicContact CB-CD2 4.19Å; V677-Y702 HydrophobicContact CB-CE1 4.08Å; V677-Y702 HydrophobicContact CB-CE2 3.61Å; V677-Y702 HydrophobicContact CG1-CD2 4.06Å; V677-Y702 HydrophobicContact CG1-CE2 3.73Å; V677-Y702 HydrophobicContact CG2-CD1 3.77Å; V677-Y702 HydrophobicContact CG2-CD2 4.04Å; V677-Y702 HydrophobicContact CG2-CE1 3.63Å; V677-Y702 HydrophobicContact CG2-CE2 3.86Å; V677-Y702 HydrophobicContact CG2-CG 4Å; Y698-Y702 HydrophobicContact CD1-CE2 4.26Å; Y698-Y702 HydrophobicContact CE1-CD2 4.35Å; Y698-Y702 AromaticContact CE1-CE2 3.67Å; Y698-Y702 HydrophobicContact CE1-CE2 3.67Å; D699-Y702 WeakPolarHBondContact O-CB 3.35Å; D699-Y702 PolarHBondContact O-N 3.39Å; Y702-C704 VanDerWaalsContact C-N 3.35Å; Y702-C704 PolarHBondContact O-N 2.95Å; Y702-V705 WeakPolarHBondContact O-CB 3.17Å; Y702-V705 PolarHBondContact O-N 2.9Å; Y702-V705 VanDerWaalsContact O-N 3.11Å; Y702-L706 WeakPolarHBondContact O-CG 3.33Å; Y702-L706 PolarHBondContact O-N 2.87Å
703Q95.9Very high90.1Very high55 Ų5543.5 Ų43.526%0.25727%0.265SS..Hα-helixtrans-59.8-44.4177.2-168.860.438.500112R408 D699 F700 V705 L706 D707R408-Q703 VanDerWaalsContact NH1-OE1 3.15Å; D699-Q703 PolarHBondContact O-N 3.39Å; F700-Q703 PolarHBondContact O-N 2.75Å; Q703-V705 VanDerWaalsContact C-N 3.27Å; Q703-V705 PolarHBondContact O-N 3.03Å; Q703-L706 PolarHBondContact O-N 3.17Å; Q703-D707 PolarHBondContact NE2-OD1 2.98Å; Q703-D707 WeakPolarHBondContact O-CB 3.24Å; Q703-D707 VanDerWaalsContact O-CG 3.29Å; Q703-D707 PolarHBondContact O-N 2.86Å
704C96.4Very high90.2Very high0 Ų042.5 Ų42.50%026%0.256CS..Hα-helixtrans-58.2-39.7174.4-78.10000112.4F626 I662 F700 Y702 Y708F626-C704 HydrophobicContact CE1-CB 3.98Å; F626-C704 HydrophobicContact CZ-CB 4.22Å; F626-C704 WeakPolarHBondContact CZ-O 3.37Å; I662-C704 HydrophobicContact CD1-CB 3.61Å; I662-C704 HydrophobicContact CG1-CB 4.45Å; I662-C704 HydrophobicContact CG2-CB 4.31Å; F700-C704 WeakPolarHBondContact CE1-SG 3.27Å; F700-C704 WeakPolarHBondContact O-CB 3.43Å; F700-C704 PolarHBondContact O-N 2.84Å; F700-C704 PolarHBondContact O-SG 3.31Å; F700-C704 VanDerWaalsContact O-SG 3.36Å; Y702-C704 VanDerWaalsContact C-N 3.35Å; Y702-C704 PolarHBondContact O-N 2.95Å; C704-Y708 WeakPolarHBondContact O-CB 3.49Å; C704-Y708 PolarHBondContact O-N 3.04Å
705V95.2Very high90.3Very high1 Ų143.5 Ų43.51%0.00626%0.261CS..Hα-helixtrans-65.7-45.1178.21690000111.1I400 L665 L669 I675 C701 Y702 Q703 Y708 L709I400-V705 HydrophobicContact CG1-CG1 3.82Å; L665-V705 HydrophobicContact CB-CG2 4.36Å; L665-V705 HydrophobicContact CD1-CG2 4.44Å; L669-V705 HydrophobicContact CD2-CG1 4.42Å; I675-V705 HydrophobicContact CB-CG1 4.43Å; I675-V705 HydrophobicContact CD1-CG1 4.25Å; I675-V705 HydrophobicContact CG1-CG1 3.72Å; I675-V705 HydrophobicContact CG1-CG2 4.47Å; I675-V705 HydrophobicContact CG2-CG1 4.08Å; I675-V705 HydrophobicContact CG2-CG2 3.8Å; C701-V705 WeakPolarHBondContact O-CG2 3.47Å; C701-V705 PolarHBondContact O-N 2.91Å; Y702-V705 WeakPolarHBondContact O-CB 3.17Å; Y702-V705 PolarHBondContact O-N 2.9Å; Y702-V705 VanDerWaalsContact O-N 3.11Å; Q703-V705 VanDerWaalsContact C-N 3.27Å; Q703-V705 PolarHBondContact O-N 3.03Å; V705-Y708 PolarHBondContact O-N 3.4Å; V705-L709 HydrophobicContact CG1-CD1 4.27Å; V705-L709 WeakPolarHBondContact O-CG 3.26Å; V705-L709 PolarHBondContact O-N 3.09Å; V705-L709 VanDerWaalsContact O-N 3.08Å
706L95.7Very high90.4Very high21 Ų2142.7 Ų42.711%0.1126%0.258CS..Hα-helixtrans-61-51.1177.5-68.2174.7000111.5I400 E401 V404 Y702 Q703 Y708 L709 Q710I400-L706 HydrophobicContact CG1-CD2 4.5Å; I400-L706 HydrophobicContact CG2-CD2 4.06Å; E401-L706 HydrophobicContact CB-CD2 4.19Å; V404-L706 HydrophobicContact CB-CD1 4.07Å; V404-L706 HydrophobicContact CG1-CD1 3.77Å; V404-L706 HydrophobicContact CG2-CD1 4.19Å; V404-L706 HydrophobicContact CG2-CD2 4.37Å; V404-L706 HydrophobicContact CG2-CG 4.34Å; Y702-L706 WeakPolarHBondContact O-CG 3.33Å; Y702-L706 PolarHBondContact O-N 2.87Å; Q703-L706 PolarHBondContact O-N 3.17Å; L706-Y708 VanDerWaalsContact C-N 3.27Å; L706-Y708 PolarHBondContact O-N 2.89Å; L706-L709 PolarHBondContact O-N 2.59Å; L706-Q710 WeakPolarHBondContact O-CG 3.33Å; L706-Q710 PolarHBondContact O-N 2.9Å
707D95.6Very high90.3Very high36 Ų3642.8 Ų42.819%0.19325%0.254CS..Hα-helixtrans-62-37.8-179.6-68.4-1.9000111.4T622 F626 Q703 Q710 S711T622-D707 VanDerWaalsContact CB-OD2 3.3Å; T622-D707 WeakPolarHBondContact CB-OD2 3.29Å; T622-D707 HydrophobicContact CG2-CB 4.42Å; T622-D707 WeakPolarHBondContact CG2-OD2 3.32Å; T622-D707 PolarHBondContact OG1-OD2 3.49Å; F626-D707 HydrophobicContact CE2-CB 4.1Å; F626-D707 HydrophobicContact CZ-CB 4.14Å; Q703-D707 PolarHBondContact NE2-OD1 2.98Å; Q703-D707 WeakPolarHBondContact O-CB 3.24Å; Q703-D707 VanDerWaalsContact O-CG 3.29Å; Q703-D707 PolarHBondContact O-N 2.86Å; D707-Q710 PolarHBondContact O-N 3.2Å; D707-S711 PolarHBondContact O-N 3.41Å; D707-S711 VanDerWaalsContact O-N 3.12Å
708Y93.8Very high90.1Very high22 Ų2245.4 Ų45.49%0.08627%0.269CS..Hα-helixtrans-65-42.6177.2-173-97.7000111.5F626 L666 L669 R670 C704 V705 L706 S711 F712F626-Y708 HydrophobicContact CD1-CD2 4.42Å; F626-Y708 HydrophobicContact CD2-CD2 4Å; F626-Y708 HydrophobicContact CE2-CD2 4.13Å; F626-Y708 HydrophobicContact CG-CD2 4.17Å; F626-Y708 HydrophobicContact CZ-CD2 4.41Å; L666-Y708 HydrophobicContact CD1-CD2 4.31Å; L666-Y708 HydrophobicContact CD1-CE2 4.48Å; L666-Y708 HydrophobicContact CD2-CD1 3.81Å; L666-Y708 HydrophobicContact CD2-CD2 3.57Å; L666-Y708 HydrophobicContact CD2-CE1 4.27Å; L666-Y708 HydrophobicContact CD2-CE2 4.09Å; L666-Y708 HydrophobicContact CD2-CG 3.42Å; L666-Y708 VanDerWaalsContact CD2-CG 3.42Å; L669-Y708 HydrophobicContact CD2-CD1 3.48Å; L669-Y708 VanDerWaalsContact CD2-CD1 3.48Å; L669-Y708 HydrophobicContact CD2-CE1 4.01Å; L669-Y708 HydrophobicContact CD2-CG 4.5Å; L669-Y708 HydrophobicContact CG-CD1 4.35Å; L669-Y708 HydrophobicContact CG-CE1 4.41Å; R670-Y708 WeakPolarHBondContact CD-OH 3.39Å; R670-Y708 HydrophobicContact CG-CE1 4.24Å; R670-Y708 VanDerWaalsContact CG-OH 3.26Å; R670-Y708 WeakPolarHBondContact CG-OH 3.48Å; R670-Y708 PolarHBondContact NE-OH 3.14Å; C704-Y708 WeakPolarHBondContact O-CB 3.49Å; C704-Y708 PolarHBondContact O-N 3.04Å; V705-Y708 PolarHBondContact O-N 3.4Å; L706-Y708 VanDerWaalsContact C-N 3.27Å; L706-Y708 PolarHBondContact O-N 2.89Å; Y708-S711 WeakPolarHBondContact O-CB 3.48Å; Y708-S711 PolarHBondContact O-N 2.8Å; Y708-S711 PolarHBondContact O-OG 2.83Å; Y708-F712 HydrophobicContact CD1-CD2 4.41Å; Y708-F712 AromaticContact CD1-CE2 3.66Å; Y708-F712 HydrophobicContact CD1-CE2 3.66Å; Y708-F712 HydrophobicContact CD2-CE2 4.4Å; Y708-F712 HydrophobicContact CE1-CD2 4.29Å; Y708-F712 AromaticContact CE1-CE2 3.24Å; Y708-F712 HydrophobicContact CE1-CE2 3.24Å; Y708-F712 AromaticContact CE1-CZ 3.79Å; Y708-F712 HydrophobicContact CE1-CZ 3.79Å; Y708-F712 HydrophobicContact CE2-CE2 4.03Å; Y708-F712 HydrophobicContact CE2-CZ 4.28Å; Y708-F712 HydrophobicContact CG-CE2 4.23Å; Y708-F712 AromaticContact CZ-CE2 3.42Å; Y708-F712 VanDerWaalsContact CZ-CE2 3.42Å; Y708-F712 AromaticContact CZ-CZ 3.57Å; Y708-F712 WeakPolarHBondContact O-CD2 3.39Å; Y708-F712 WeakPolarHBondContact O-CE2 3.43Å; Y708-F712 VanDerWaalsContact OH-CZ 3.32Å; Y708-F712 WeakPolarHBondContact OH-CZ 3.26Å
709L91.8Very high89.9Confident49 Ų4948.1 Ų48.126%0.25729%0.286SS..Hα-helixtrans-66.7-39.4176.7-73.1169.4000112.6A397 I400 L669 V705 L706 S711 F712A397-L709 HydrophobicContact CB-CD1 4.41Å; A397-L709 HydrophobicContact CB-CD2 4.12Å; I400-L709 HydrophobicContact CG2-CD1 3.32Å; L669-L709 HydrophobicContact CD1-CD2 3.87Å; L669-L709 HydrophobicContact CD2-CD2 3.91Å; L669-L709 HydrophobicContact CD2-CG 3.98Å; L669-L709 HydrophobicContact CG-CD2 4.35Å; V705-L709 HydrophobicContact CG1-CD1 4.27Å; V705-L709 WeakPolarHBondContact O-CG 3.26Å; V705-L709 PolarHBondContact O-N 3.09Å; V705-L709 VanDerWaalsContact O-N 3.08Å; L706-L709 PolarHBondContact O-N 2.59Å; L709-S711 PolarHBondContact O-N 3.27Å; L709-F712 PolarHBondContact O-N 2.99Å; L709-F712 VanDerWaalsContact O-N 3.13Å
710Q89.9Confident89.6Confident122 Ų12248.1 Ų48.157%0.5729%0.288SS*.Hα-helixtrans-62.8-25.3174.4-71.4178-0.300112.5L706 D707 F712 G713L706-Q710 WeakPolarHBondContact O-CG 3.33Å; L706-Q710 PolarHBondContact O-N 2.9Å; D707-Q710 PolarHBondContact O-N 3.2Å; Q710-F712 PolarHBondContact O-N 3.22Å; Q710-G713 PolarHBondContact O-N 2.99Å
711S85.8Confident89.1Confident78 Ų7850.1 Ų50.155%0.54530%0.303SS..THydrogen-bonded Turntrans-71.1-13.4176.278.60000114.7D707 Y708 L709D707-S711 PolarHBondContact O-N 3.41Å; D707-S711 VanDerWaalsContact O-N 3.12Å; Y708-S711 WeakPolarHBondContact O-CB 3.48Å; Y708-S711 PolarHBondContact O-N 2.8Å; Y708-S711 PolarHBondContact O-OG 2.83Å; L709-S711 PolarHBondContact O-N 3.27Å
712F73Confident88.5Confident140 Ų14054.3 Ų54.361%0.61433%0.328SS*.THydrogen-bonded Turntrans-99.3-20.2174.9-65.9-84.2000114.1Y708 L709 Q710Y708-F712 HydrophobicContact CD1-CD2 4.41Å; Y708-F712 AromaticContact CD1-CE2 3.66Å; Y708-F712 HydrophobicContact CD1-CE2 3.66Å; Y708-F712 HydrophobicContact CD2-CE2 4.4Å; Y708-F712 HydrophobicContact CE1-CD2 4.29Å; Y708-F712 AromaticContact CE1-CE2 3.24Å; Y708-F712 HydrophobicContact CE1-CE2 3.24Å; Y708-F712 AromaticContact CE1-CZ 3.79Å; Y708-F712 HydrophobicContact CE1-CZ 3.79Å; Y708-F712 HydrophobicContact CE2-CE2 4.03Å; Y708-F712 HydrophobicContact CE2-CZ 4.28Å; Y708-F712 HydrophobicContact CG-CE2 4.23Å; Y708-F712 AromaticContact CZ-CE2 3.42Å; Y708-F712 VanDerWaalsContact CZ-CE2 3.42Å; Y708-F712 AromaticContact CZ-CZ 3.57Å; Y708-F712 WeakPolarHBondContact O-CD2 3.39Å; Y708-F712 WeakPolarHBondContact O-CE2 3.43Å; Y708-F712 VanDerWaalsContact OH-CZ 3.32Å; Y708-F712 WeakPolarHBondContact OH-CZ 3.26Å; L709-F712 PolarHBondContact O-N 2.99Å; L709-F712 VanDerWaalsContact O-N 3.13Å; Q710-F712 PolarHBondContact O-N 3.22Å
713G53.2Low87.8Confident125 Ų12559 Ų59100%1.28936%0.357SS*.  trans-80.9017700000111.2Q710Q710-G713 PolarHBondContact O-N 2.99Å

Retrieved 713 of 713 residues in 504.6 ms (Link to these results)

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