A0A087X7S7_POEFO Loading...

TAP binding protein (tapasin), tandem duplicate 2

AlphaFold DB , UniProt , Accession A0A087X7S7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 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
1M49.3Very low53.2Low234 Ų234125.4 Ų125.4100%1.15364%0.64SS**  040.80-146.8172.6-163.200110.3
2T48.5Very low53.3Low101 Ų101121.7 Ų121.762%0.6262%0.621SS**  trans-125.8-29.3-165.333.80000112.2F4 S5T2-F4 VanDerWaalsContact C-N 3.35Å; T2-F4 PolarHBondContact O-N 2.83Å; T2-S5 PolarHBondContact O-N 2.8Å
3D50.4Low53.3Low111 Ų111121.2 Ų121.259%0.59462%0.619SS**Hα-helixtrans-77.1-17.1-172-47.1-68.8000114.1S5 T6 I7D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.44Å; D3-T6 PolarHBondContact O-OG1 3.28Å; D3-I7 WeakPolarHBondContact O-CG1 3.32Å
4F50.9Low53Low184 Ų184116.4 Ų116.481%0.80761%0.607SS**Hα-helixtrans-69.8-24.5171.4-88-84.3000112.9T2 Y8T2-F4 VanDerWaalsContact C-N 3.35Å; T2-F4 PolarHBondContact O-N 2.83Å; F4-Y8 PolarHBondContact O-N 3.17Å
5S55.6Low52.4Low68 Ų68118.1 Ų118.148%0.47661%0.608SS.*Hα-helixtrans-77.4-34.6-178.1-167.60000112.7T2 D3 K9T2-S5 PolarHBondContact O-N 2.8Å; D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.44Å; S5-K9 WeakPolarHBondContact O-CG 3.48Å; S5-K9 PolarHBondContact O-N 3.18Å
6T54.9Low51.9Low80 Ų80117.6 Ų117.649%0.49161%0.606SS.*Hα-helixtrans-72.4-41.7178.236.10000111.9D3 K9 L10D3-T6 PolarHBondContact O-OG1 3.28Å; T6-K9 PolarHBondContact O-N 3.12Å; T6-L10 WeakPolarHBondContact O-CB 3.3Å; T6-L10 WeakPolarHBondContact O-CG 3.39Å; T6-L10 PolarHBondContact O-N 2.96Å
7I58.8Low50.9Low106 Ų106113.5 Ų113.554%0.54460%0.599SS.*Hα-helixtrans-61.3-46.3176.1-62.8170.2000110.3D3 K9 L10 S11D3-I7 WeakPolarHBondContact O-CG1 3.32Å; I7-K9 VanDerWaalsContact C-N 3.35Å; I7-K9 PolarHBondContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 2.89Å; I7-S11 PolarHBondContact O-N 3.3Å; I7-S11 PolarHBondContact O-OG 2.72Å; I7-S11 VanDerWaalsContact O-OG 3.07Å
8Y54.9Low50Low175 Ų175117.6 Ų117.669%0.68661%0.611SS**Hα-helixtrans-64.6-37179.5-146.4-95.3000112.7F4 S11 I12F4-Y8 PolarHBondContact O-N 3.17Å; Y8-S11 PolarHBondContact O-N 3.28Å; Y8-I12 HydrophobicContact CD1-CD1 3.66Å; Y8-I12 HydrophobicContact CD1-CG1 4.33Å; Y8-I12 HydrophobicContact CE1-CD1 3.85Å; Y8-I12 HydrophobicContact CE1-CG1 4.46Å; Y8-I12 WeakPolarHBondContact O-CG1 3.33Å; Y8-I12 PolarHBondContact O-N 3.13Å
9K53.6Low49.2Very low135 Ų135117.6 Ų117.659%0.58761%0.611SS**Hα-helixtrans-67.6-40.8174.1-75.8178.5179.4-177.40112.7S5 T6 I7 I12 I13S5-K9 WeakPolarHBondContact O-CG 3.48Å; S5-K9 PolarHBondContact O-N 3.18Å; T6-K9 PolarHBondContact O-N 3.12Å; I7-K9 VanDerWaalsContact C-N 3.35Å; I7-K9 PolarHBondContact O-N 3.11Å; K9-I12 PolarHBondContact O-N 3.08Å; K9-I13 VanDerWaalsContact O-CG1 3.31Å; K9-I13 WeakPolarHBondContact O-CG1 3.36Å; K9-I13 PolarHBondContact O-N 2.79Å
10L53.8Low48.5Very low118 Ų118119.5 Ų119.562%0.61862%0.617SS**Hα-helixtrans-64.9-40.3174.2-78.2163.5000111.6T6 I7 I13 A14T6-L10 WeakPolarHBondContact O-CB 3.3Å; T6-L10 WeakPolarHBondContact O-CG 3.39Å; T6-L10 PolarHBondContact O-N 2.96Å; I7-L10 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 2.99Å; L10-A14 WeakPolarHBondContact O-CB 3.42Å; L10-A14 PolarHBondContact O-N 2.73Å
11S54.8Low47.9Very low67 Ų67116.6 Ų116.647%0.46962%0.616SS.*Hα-helixtrans-62.4-41.3173.4-61.30000112.3I7 Y8 A14 F15I7-S11 PolarHBondContact O-N 3.3Å; I7-S11 PolarHBondContact O-OG 2.72Å; I7-S11 VanDerWaalsContact O-OG 3.07Å; Y8-S11 PolarHBondContact O-N 3.28Å; S11-A14 PolarHBondContact O-N 2.74Å; S11-F15 WeakPolarHBondContact O-CB 3.34Å; S11-F15 PolarHBondContact O-N 2.9Å
12I54Low47.3Very low81 Ų81110.8 Ų110.842%0.41560%0.597SS.*Hα-helixtrans-66.9-40.1175.6-71.3168000111.6Y8 K9 F15 I16Y8-I12 HydrophobicContact CD1-CD1 3.66Å; Y8-I12 HydrophobicContact CD1-CG1 4.33Å; Y8-I12 HydrophobicContact CE1-CD1 3.85Å; Y8-I12 HydrophobicContact CE1-CG1 4.46Å; Y8-I12 WeakPolarHBondContact O-CG1 3.33Å; Y8-I12 PolarHBondContact O-N 3.13Å; K9-I12 PolarHBondContact O-N 3.08Å; I12-F15 PolarHBondContact O-N 3.04Å; I12-I16 HydrophobicContact CG2-CD1 3.68Å; I12-I16 HydrophobicContact CG2-CG1 4.33Å; I12-I16 WeakPolarHBondContact O-CB 3.3Å; I12-I16 VanDerWaalsContact O-CG1 3.28Å; I12-I16 WeakPolarHBondContact O-CG1 3.24Å; I12-I16 PolarHBondContact O-N 3.28Å
13I52.9Low46.9Very low115 Ų115111.6 Ų111.659%0.5961%0.607SS**Hα-helixtrans-66.3-39.1176.1-67.6164.5000110.8K9 L10 G17K9-I13 VanDerWaalsContact O-CG1 3.31Å; K9-I13 WeakPolarHBondContact O-CG1 3.36Å; K9-I13 PolarHBondContact O-N 2.79Å; L10-I13 PolarHBondContact O-N 2.99Å; I13-G17 PolarHBondContact O-N 2.98Å
14A49.1Very low47Very low55 Ų55109.9 Ų109.946%0.45560%0.603SS.*Hα-helixtrans-64.4-40.5172.300000112L10 S11 G17 F18L10-A14 WeakPolarHBondContact O-CB 3.42Å; L10-A14 PolarHBondContact O-N 2.73Å; S11-A14 PolarHBondContact O-N 2.74Å; A14-G17 CarbonylContact O-C 3.5Å; A14-G17 PolarHBondContact O-N 3.01Å; A14-F18 WeakPolarHBondContact O-CD2 3.38Å; A14-F18 PolarHBondContact O-N 3.1Å
15F44.1Very low48.2Very low142 Ų142105.2 Ų105.262%0.62359%0.593SS**Hα-helixtrans-69.6-37.6178.6-147.3-107.4000112.2S11 I12 F18 I19S11-F15 WeakPolarHBondContact O-CB 3.34Å; S11-F15 PolarHBondContact O-N 2.9Å; I12-F15 PolarHBondContact O-N 3.04Å; F15-F18 CarbonylContact O-C 3.57Å; F15-F18 PolarHBondContact O-N 2.94Å; F15-I19 HydrophobicContact CD1-CD1 3.5Å; F15-I19 VanDerWaalsContact CD1-CD1 3.5Å; F15-I19 HydrophobicContact CD1-CG1 4.45Å; F15-I19 HydrophobicContact CE1-CD1 3.56Å; F15-I19 HydrophobicContact CG-CD1 4.48Å; F15-I19 WeakPolarHBondContact O-CB 3.27Å; F15-I19 WeakPolarHBondContact O-CG1 3.46Å; F15-I19 PolarHBondContact O-N 3.38Å
16I45.3Very low49.6Very low110 Ų110103 Ų10356%0.56458%0.577SS**Hα-helixtrans-67.3-37.7171.3-67.4167.7000110.5I12 F18 I19 Q20I12-I16 HydrophobicContact CG2-CD1 3.68Å; I12-I16 HydrophobicContact CG2-CG1 4.33Å; I12-I16 WeakPolarHBondContact O-CB 3.3Å; I12-I16 VanDerWaalsContact O-CG1 3.28Å; I12-I16 WeakPolarHBondContact O-CG1 3.24Å; I12-I16 PolarHBondContact O-N 3.28Å; I16-F18 PolarHBondContact O-N 2.88Å; I16-I19 CarbonylContact O-C 3.55Å; I16-I19 PolarHBondContact O-N 2.96Å; I16-Q20 PolarHBondContact O-N 3.13Å
17G34.1Very low51.1Low48 Ų4899.2 Ų99.250%0.49555%0.554SS.*Hα-helixtrans-65.4-22.9172.100000114.4I13 A14I13-G17 PolarHBondContact O-N 2.98Å; A14-G17 CarbonylContact O-C 3.5Å; A14-G17 PolarHBondContact O-N 3.01Å
18F34.8Very low52.6Low187 Ų18797.7 Ų97.782%0.8255%0.549SS*.Hα-helixtrans-91.4-20.3171.7-95.6-86.4000113.8A14 F15 I16 Q20A14-F18 WeakPolarHBondContact O-CD2 3.38Å; A14-F18 PolarHBondContact O-N 3.1Å; F15-F18 CarbonylContact O-C 3.57Å; F15-F18 PolarHBondContact O-N 2.94Å; I16-F18 PolarHBondContact O-N 2.88Å; F18-Q20 VanDerWaalsContact C-N 3.34Å
19I35.1Very low54.2Low118 Ų11889.6 Ų89.661%0.60552%0.518SS*.Hα-helixtrans-922.1172.5-65.9169.4000111.5F15 I16 G21F15-I19 HydrophobicContact CD1-CD1 3.5Å; F15-I19 VanDerWaalsContact CD1-CD1 3.5Å; F15-I19 HydrophobicContact CD1-CG1 4.45Å; F15-I19 HydrophobicContact CE1-CD1 3.56Å; F15-I19 HydrophobicContact CG-CD1 4.48Å; F15-I19 WeakPolarHBondContact O-CB 3.27Å; F15-I19 WeakPolarHBondContact O-CG1 3.46Å; F15-I19 PolarHBondContact O-N 3.38Å; I16-I19 CarbonylContact O-C 3.55Å; I16-I19 PolarHBondContact O-N 2.96Å; I19-G21 PolarHBondContact O-N 3.25Å
20Q35.4Very low56Low155 Ų15587 Ų8772%0.72451%0.508SS*.SBendtrans-71.577.1160.2-160.6156.2-2.100108.5I16 F18 C22I16-Q20 PolarHBondContact O-N 3.13Å; F18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-C22 PolarHBondContact O-N 2.84Å
21G35.9Very low57.9Low58 Ų5881.6 Ų81.660%0.59848%0.48SS*.  trans-47.2134.1177.800000109.4I19 S23I19-G21 PolarHBondContact O-N 3.25Å; G21-S23 PolarHBondContact O-N 3.41Å
22C35.5Very low59.8Low112 Ų11283.8 Ų83.876%0.75748%0.478SS*.  trans-55.6108.9-165.7-153.10000110Q20 C24Q20-C22 PolarHBondContact O-N 2.84Å; C22-C24 PolarHBondContact O-N 2.88Å
23S41.7Very low61.7Low119 Ų11980.2 Ų80.283%0.83246%0.46SS*.  trans-7160163.8-72.40000109.2G21 S25G21-S23 PolarHBondContact O-N 3.41Å; S23-S25 VanDerWaalsContact C-N 3.25Å; S23-S25 PolarHBondContact O-N 2.81Å
24C52.5Low63.6Low74 Ų7475.2 Ų75.250%0.543%0.434SS..  trans-61.794.9160.9-91.20000106.5C22 C26C22-C24 PolarHBondContact O-N 2.88Å; C24-C26 PolarHBondContact O-N 3.37Å; C24-C26 VanDerWaalsContact O-N 3.08Å
25S75.3Confident65.4Low87 Ų8776.6 Ų76.661%0.60843%0.431SS*.PPolyproline II helixtrans-53.4118.7161.9-176.50000106.9S23 N96S23-S25 VanDerWaalsContact C-N 3.25Å; S23-S25 PolarHBondContact O-N 2.81Å; S25-N96 PolarHBondContact O-ND2 2.92Å
26C85Confident67Low21 Ų2176.7 Ų76.714%0.14243%0.434CS..PPolyproline II helixtrans-68.2152.7172-61.50000109.5C24 I57 C91C24-C26 PolarHBondContact O-N 3.37Å; C24-C26 VanDerWaalsContact O-N 3.08Å; C26-I57 HydrophobicContact CB-CB 3.9Å; C26-I57 HydrophobicContact CB-CG2 3.85Å; C26-I57 VanDerWaalsContact CB-O 3.24Å; C26-I57 WeakPolarHBondContact CB-O 3.27Å; C26-C91 HydrophobicContact CB-CB 3.91Å; C26-C91 WeakPolarHBondContact CB-SG 3.41Å; C26-C91 WeakPolarHBondContact SG-CB 3.44Å; C26-C91 CovalentContact SG-SG 2.04Å; C26-C91 PolarHBondContact SG-SG 2.94Å
27P87.3Confident68.1Low1 Ų177 Ų771%0.00643%0.431CS..PPolyproline II helixtrans-72.9156.8-175.328.2-34.2000112.7M29 I57 L90 L95 N96P27-M29 HydrophobicContact CB-CG 3.67Å; P27-M29 HydrophobicContact CB-SD 4.4Å; P27-M29 HydrophobicContact CG-CE 4.19Å; P27-M29 HydrophobicContact CG-CG 3.8Å; P27-M29 HydrophobicContact CG-SD 3.97Å; P27-I57 HydrophobicContact CG-CB 4.41Å; P27-I57 HydrophobicContact CG-CG1 4Å; P27-I57 WeakPolarHBondContact O-CB 3.12Å; P27-I57 WeakPolarHBondContact O-CG1 3.41Å; P27-I57 PolarHBondContact O-N 3.03Å; P27-L90 VanDerWaalsContact CD-O 3.24Å; P27-L90 WeakPolarHBondContact CD-O 3.28Å; P27-L90 VanDerWaalsContact CG-O 3.26Å; P27-L90 WeakPolarHBondContact CG-O 3.46Å; P27-L95 VanDerWaalsContact CB-O 3.3Å; P27-L95 WeakPolarHBondContact CB-O 3.3Å; P27-L95 HydrophobicContact CG-CB 4.33Å; P27-N96 HydrophobicContact CB-CB 3.74Å; P27-N96 HydrophobicContact CG-CB 4.34Å
28V88.8Confident69.2Low73 Ų7380.9 Ų80.944%0.44245%0.447SS..EExtended strand (participates in β ladder)trans-100.8116.5152.9-178.90000106.4L54 L55V28-L54 HydrophobicContact CG1-CD1 3.79Å; V28-L54 HydrophobicContact CG1-CD2 4.07Å; V28-L54 HydrophobicContact CG1-CG 3.81Å; V28-L55 CarbonylContact C-O 3.52Å; V28-L55 VanDerWaalsContact CA-O 3.26Å; V28-L55 WeakPolarHBondContact CA-O 3.14Å
29M89.4Confident70.1Confident5 Ų574 Ų743%0.02543%0.43CS..EExtended strand (participates in β ladder)trans-111.7134.3-172.4-63.8-167.6-73.600111.9P27 L54 L55 I57 L95 P105 F144P27-M29 HydrophobicContact CB-CG 3.67Å; P27-M29 HydrophobicContact CB-SD 4.4Å; P27-M29 HydrophobicContact CG-CE 4.19Å; P27-M29 HydrophobicContact CG-CG 3.8Å; P27-M29 HydrophobicContact CG-SD 3.97Å; M29-L54 CarbonylContact O-C 3.25Å; M29-L54 WeakPolarHBondContact O-CA 3.44Å; M29-L55 HydrophobicContact CB-CB 4.46Å; M29-L55 PolarHBondContact N-O 3.11Å; M29-L55 PolarHBondContact O-N 3.19Å; M29-I57 HydrophobicContact CE-CD1 3.88Å; M29-I57 HydrophobicContact CE-CG1 3.79Å; M29-L95 HydrophobicContact SD-CB 3.97Å; M29-L95 HydrophobicContact SD-CD2 4.27Å; M29-P105 HydrophobicContact SD-CG 4.38Å; M29-F144 HydrophobicContact CE-CD1 3.54Å; M29-F144 HydrophobicContact CE-CE1 3.44Å; M29-F144 VanDerWaalsContact CE-CE1 3.44Å; M29-F144 HydrophobicContact CE-CZ 4.42Å; M29-F144 HydrophobicContact SD-CD1 4.19Å
30E91.1Very high70.9Confident82 Ų8280.8 Ų80.838%0.38345%0.448SS..EExtended strand (participates in β ladder)trans-81132.4164.2-73.9166.5-135.900109.2S53 L54 I75 K104E30-S53 WeakPolarHBondContact CA-O 3.49Å; E30-L54 HydrophobicContact CG-CD1 3.91Å; E30-I75 HydrophobicContact CG-CD1 4.32Å; E30-K104 IonicContact OE1-NZ 3.42Å; E30-K104 PolarHBondContact OE1-NZ 2.82Å; E30-K104 IonicContact OE2-NZ 3.51Å; E30-K104 PolarHBondContact OE2-NZ 3.45Å
31C93.9Very high71.4Confident4 Ų476.8 Ų76.83%0.02745%0.448CS..EExtended strand (participates in β ladder)trans-136.5154.5-174.7-65.80000110.6S53 L55 C107 I109C31-S53 VanDerWaalsContact CB-OG 3.31Å; C31-S53 WeakPolarHBondContact CB-OG 3.38Å; C31-S53 PolarHBondContact N-O 3.04Å; C31-S53 PolarHBondContact O-N 3.42Å; C31-S53 PolarHBondContact O-OG 3.1Å; C31-L55 HydrophobicContact CB-CG 4.42Å; C31-L55 WeakPolarHBondContact SG-CD1 3.4Å; C31-C107 HydrophobicContact CB-CB 3.71Å; C31-C107 WeakPolarHBondContact CB-SG 3.47Å; C31-C107 WeakPolarHBondContact SG-CB 3.43Å; C31-C107 CovalentContact SG-SG 2.02Å; C31-C107 PolarHBondContact SG-SG 2.84Å; C31-I109 HydrophobicContact CB-CD1 3.71Å; C31-I109 HydrophobicContact CB-CG1 4.02Å
32W94.9Very high72Confident113 Ų11377.4 Ų77.443%0.42845%0.454SS..EExtended strand (participates in β ladder)trans-92114.9169.5-66103.2000110V34 Q50 K52 C107 E108 I109W32-V34 HydrophobicContact CB-CG2 4.13Å; W32-V34 PolarHBondContact O-N 2.67Å; W32-Q50 HydrophobicContact CE3-CB 4.15Å; W32-K52 HydrophobicContact CE3-CG 4.24Å; W32-K52 HydrophobicContact CH2-CG 3.83Å; W32-K52 HydrophobicContact CZ3-CG 3.6Å; W32-C107 PolarHBondContact N-O 2.96Å; W32-E108 CarbonylContact O-C 3.59Å; W32-E108 WeakPolarHBondContact O-CA 3.41Å; W32-I109 PolarHBondContact O-N 3.11Å
33F93.9Very high72.8Confident6 Ų676.4 Ų76.43%0.02646%0.463CS..EExtended strand (participates in β ladder)trans-77.7115.3165.2-177.8-90000108.1Q35 Q50 E51 R79 Y81 I109 P111 F140F33-Q35 HydrophobicContact CE1-CB 3.98Å; F33-Q50 WeakPolarHBondContact O-CA 3.4Å; F33-E51 HydrophobicContact CB-CB 4.48Å; F33-E51 PolarHBondContact N-O 3.32Å; F33-E51 PolarHBondContact O-N 3.34Å; F33-R79 VanDerWaalsContact CE1-NH2 3.34Å; F33-Y81 HydrophobicContact CD2-CE2 4.44Å; F33-I109 CarbonylContact C-O 3.54Å; F33-I109 WeakPolarHBondContact CA-O 3.42Å; F33-I109 HydrophobicContact CD2-CB 4.38Å; F33-I109 HydrophobicContact CD2-CG2 4.2Å; F33-P111 HydrophobicContact CE2-CG 4.27Å; F33-P111 HydrophobicContact CZ-CG 3.71Å; F33-F140 HydrophobicContact CE2-CD1 4.13Å; F33-F140 AromaticContact CE2-CE1 3.9Å; F33-F140 HydrophobicContact CE2-CE1 3.9Å
34V92.8Very high73Confident9 Ų978 Ų786%0.05546%0.461CS..EExtended strand (participates in β ladder)trans-112136.5-176.4-177.20000109.2W32 T49 Q50 E108 I109 N110 P111W32-V34 HydrophobicContact CB-CG2 4.13Å; W32-V34 PolarHBondContact O-N 2.67Å; V34-T49 WeakPolarHBondContact CA-O 3.19Å; V34-Q50 HydrophobicContact CG2-CG 4.06Å; V34-E108 HydrophobicContact CB-CG 4.2Å; V34-E108 HydrophobicContact CG2-CG 3.54Å; V34-I109 PolarHBondContact N-O 2.96Å; V34-N110 WeakPolarHBondContact CB-OD1 3.35Å; V34-N110 PolarHBondContact O-OD1 2.87Å; V34-P111 WeakPolarHBondContact O-CD 3.2Å
35Q87.2Confident73.1Confident84 Ų8481 Ų8139%0.39348%0.478SS..EExtended strand (participates in β ladder)trans-144.3127.2178.4-172.317120.500110.3F33 T49 P111F33-Q35 HydrophobicContact CE1-CB 3.98Å; Q35-T49 PolarHBondContact N-O 3.17Å; Q35-T49 PolarHBondContact O-N 2.64Å; Q35-T49 PolarHBondContact O-OG1 3.09Å; Q35-T49 VanDerWaalsContact O-OG1 3.11Å; Q35-P111 HydrophobicContact CG-CG 4.37Å
36E78.3Confident72.3Confident145 Ų14578 Ų7868%0.67846%0.46SS*.EExtended strand (participates in β ladder)trans-71.8125167.8-62.3-166.7157.700109.8T48E36-T48 HydrophobicContact CG-CG2 4.08Å
37K66.8Low71.5Confident116 Ų11680.5 Ų80.550%0.50448%0.482SS..PPolyproline II helixtrans-77.2137.2167.4-72.6177.9170.7168.50109.3G39 G46 A47 T49K37-G39 PolarHBondContact O-N 2.86Å; K37-G39 VanDerWaalsContact O-N 3.17Å; K37-G46 WeakPolarHBondContact O-CA 3.26Å; K37-A47 WeakPolarHBondContact CB-O 3.4Å; K37-A47 PolarHBondContact N-O 2.93Å; K37-T49 HydrophobicContact CD-CG2 4.1Å; K37-T49 VanDerWaalsContact NZ-CG2 3.26Å
38P57.8Low71.1Confident129 Ų12984.4 Ų84.484%0.83851%0.506SS*.PPolyproline II helixtrans-59.5123.5171.224.1-32.4000109.8
39G53.1Low70.9Confident44 Ų4482.4 Ų82.445%0.45449%0.494SS..PPolyproline II helixtrans-58.5139.9177.100000111K37 G41K37-G39 PolarHBondContact O-N 2.86Å; K37-G39 VanDerWaalsContact O-N 3.17Å; G39-G41 PolarHBondContact O-N 2.81Å
40R51.8Low71Confident260 Ų26088 Ų8898%0.98152%0.52SS*.SBendtrans-78.455.9-173.6-158.7-176.8-170.8-179.63.9112.7
41G46.9Very low71.1Confident71 Ų7187.6 Ų87.673%0.73252%0.518SS*.SBendtrans78.8133.1-179.400000113.8G39G39-G41 PolarHBondContact O-N 2.81Å
42G47.7Very low71Confident70 Ų7091.1 Ų91.172%0.72253%0.533SS*.SBendtrans92.667.9167.200000116.5L44G42-L44 PolarHBondContact O-N 2.8Å
43G52.1Low70.9Confident92 Ų9285.8 Ų85.895%0.94851%0.513SS*.SBendtrans67.6-8.6150.300000119.4
44L47.3Very low70.9Confident152 Ų15285.9 Ų85.980%0.79651%0.514SS*.SBendtrans-91.3139.1174.5-66174.8000110.7G42 G46G42-L44 PolarHBondContact O-N 2.8Å; L44-G46 PolarHBondContact O-N 2.9Å
45T53.8Low70.9Confident138 Ų13885.5 Ų85.585%0.84751%0.511SS*.PPolyproline II helixtrans-57.8134.1170.145.90000109.4
46G58.3Low71.2Confident22 Ų2282.7 Ų82.723%0.22750%0.498CS..PPolyproline II helixtrans-74.2159.3-178.300000112K37 L44 T48K37-G46 WeakPolarHBondContact O-CA 3.26Å; L44-G46 PolarHBondContact O-N 2.9Å; G46-T48 PolarHBondContact O-N 2.82Å
47A68.1Low71.9Confident75 Ų7576.5 Ų76.562%0.6247%0.47SS*.PPolyproline II helixtrans-64.6124.8178.200000110.6K37K37-A47 WeakPolarHBondContact CB-O 3.4Å; K37-A47 PolarHBondContact N-O 2.93Å
48T78.5Confident73.1Confident83 Ų8372.2 Ų72.251%0.50945%0.451SS..EExtended strand (participates in β ladder)trans-70134.7170.140.80000110.2E36 G46E36-T48 HydrophobicContact CG-CG2 4.08Å; G46-T48 PolarHBondContact O-N 2.82Å
49T86.3Confident74.7Confident31 Ų3169 Ų6919%0.1943%0.428CS..EExtended strand (participates in β ladder)trans-104.4137.8166.730.60000110.1V34 Q35 K37V34-T49 WeakPolarHBondContact CA-O 3.19Å; Q35-T49 PolarHBondContact N-O 3.17Å; Q35-T49 PolarHBondContact O-N 2.64Å; Q35-T49 PolarHBondContact O-OG1 3.09Å; Q35-T49 VanDerWaalsContact O-OG1 3.11Å; K37-T49 HydrophobicContact CD-CG2 4.1Å; K37-T49 VanDerWaalsContact NZ-CG2 3.26Å
50Q90.3Very high76.3Confident122 Ų12271.1 Ų71.157%0.5743%0.43SS*.EExtended strand (participates in β ladder)trans-120.7126174.8-55.3-171.3-27.300108.3W32 F33 V34W32-Q50 HydrophobicContact CE3-CB 4.15Å; F33-Q50 WeakPolarHBondContact O-CA 3.4Å; V34-Q50 HydrophobicContact CG2-CG 4.06Å
51E92.4Very high77.7Confident73 Ų7364.1 Ų64.134%0.34141%0.406SS..EExtended strand (participates in β ladder)trans-124.7141.1-180-69.3173.5-166.400108.9F33 R79F33-E51 HydrophobicContact CB-CB 4.48Å; F33-E51 PolarHBondContact N-O 3.32Å; F33-E51 PolarHBondContact O-N 3.34Å; E51-R79 IonicContact OE1-NH2 3.88Å; E51-R79 IonicContact OE2-CZ 3.31Å; E51-R79 IonicContact OE2-NE 3.11Å; E51-R79 PolarHBondContact OE2-NE 3.44Å; E51-R79 IonicContact OE2-NH2 2.74Å; E51-R79 PolarHBondContact OE2-NH2 2.86Å
52K93.1Very high78.9Confident79 Ų7968.3 Ų68.334%0.34341%0.407SS..EExtended strand (participates in β ladder)trans-68.8138.3174.4-68.7-170.6178.7-168.70109.8W32 D74 I75 R79W32-K52 HydrophobicContact CE3-CG 4.24Å; W32-K52 HydrophobicContact CH2-CG 3.83Å; W32-K52 HydrophobicContact CZ3-CG 3.6Å; K52-D74 IonicContact NZ-OD2 2.72Å; K52-D74 PolarHBondContact NZ-OD2 2.91Å; K52-I75 HydrophobicContact CB-CG1 4.11Å; K52-R79 VanDerWaalsContact O-CB 3.27Å; K52-R79 WeakPolarHBondContact O-CB 3.2Å
53S93.6Very high79.9Confident1 Ų167.1 Ų67.11%0.00739%0.387CS..EExtended strand (participates in β ladder)trans-134.8158.1176.760.60000110.8E30 C31 R79E30-S53 WeakPolarHBondContact CA-O 3.49Å; C31-S53 VanDerWaalsContact CB-OG 3.31Å; C31-S53 WeakPolarHBondContact CB-OG 3.38Å; C31-S53 PolarHBondContact N-O 3.04Å; C31-S53 PolarHBondContact O-N 3.42Å; C31-S53 PolarHBondContact O-OG 3.1Å; S53-R79 CarbonylContact C-O 3.58Å; S53-R79 WeakPolarHBondContact CA-O 3.4Å; S53-R79 WeakPolarHBondContact CB-O 3.17Å
54L92.9Very high80.3Confident7 Ų769.7 Ų69.74%0.03738%0.379CS..EExtended strand (participates in β ladder)trans-126.4130179-164.271.2000109.2V28 M29 E30 D71 I75 R79 V80 Y81V28-L54 HydrophobicContact CG1-CD1 3.79Å; V28-L54 HydrophobicContact CG1-CD2 4.07Å; V28-L54 HydrophobicContact CG1-CG 3.81Å; M29-L54 CarbonylContact O-C 3.25Å; M29-L54 WeakPolarHBondContact O-CA 3.44Å; E30-L54 HydrophobicContact CG-CD1 3.91Å; L54-D71 HydrophobicContact CD2-CB 4.23Å; L54-I75 HydrophobicContact CB-CD1 3.95Å; L54-I75 HydrophobicContact CB-CG2 4.36Å; L54-I75 HydrophobicContact CD1-CD1 3.96Å; L54-I75 HydrophobicContact CG-CD1 4.43Å; L54-R79 PolarHBondContact N-O 2.9Å; L54-V80 HydrophobicContact CB-CG1 4.4Å; L54-V80 HydrophobicContact CB-CG2 4.2Å; L54-V80 WeakPolarHBondContact O-CA 3.35Å; L54-Y81 PolarHBondContact O-N 3.21Å
55L93.6Very high80.8Confident1 Ų165.7 Ų65.71%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-111.5123.4177.8-62.9-170.5000110.9V28 M29 C31 I57 Y81 I83 I109 F144V28-L55 CarbonylContact C-O 3.52Å; V28-L55 VanDerWaalsContact CA-O 3.26Å; V28-L55 WeakPolarHBondContact CA-O 3.14Å; M29-L55 HydrophobicContact CB-CB 4.46Å; M29-L55 PolarHBondContact N-O 3.11Å; M29-L55 PolarHBondContact O-N 3.19Å; C31-L55 HydrophobicContact CB-CG 4.42Å; C31-L55 WeakPolarHBondContact SG-CD1 3.4Å; L55-I57 HydrophobicContact CB-CD1 3.97Å; L55-I57 HydrophobicContact CD1-CD1 4.37Å; L55-Y81 WeakPolarHBondContact CA-O 3.34Å; L55-Y81 HydrophobicContact CD2-CD2 3.87Å; L55-Y81 HydrophobicContact CD2-CG 4.26Å; L55-I83 HydrophobicContact CB-CG1 4.23Å; L55-I83 HydrophobicContact CD1-CG1 4.1Å; L55-I83 HydrophobicContact CD2-CD1 3.82Å; L55-I83 HydrophobicContact CD2-CG1 3.81Å; L55-I83 HydrophobicContact CG-CG1 4.28Å; L55-I109 HydrophobicContact CD1-CD1 3.87Å; L55-I109 HydrophobicContact CD1-CG1 4.48Å; L55-I109 HydrophobicContact CD2-CD1 3.63Å; L55-I109 HydrophobicContact CG-CD1 3.91Å; L55-F144 HydrophobicContact CD1-CE1 3.73Å; L55-F144 HydrophobicContact CD1-CZ 4.01Å
56H92.3Very high80.6Confident25 Ų2564.8 Ų64.812%0.11636%0.356CS..EExtended strand (participates in β ladder)trans-96.4106.5166.8-61.5-99.3000108.4V65 D71 Y81 V82 I83H56-V65 HydrophobicContact CB-CG1 4.21Å; H56-D71 IonicContact CE1-OD1 3.96Å; H56-D71 IonicContact NE2-OD1 1.85Å; H56-Y81 PolarHBondContact N-O 2.92Å; H56-V82 HydrophobicContact CB-CG2 4.4Å; H56-V82 WeakPolarHBondContact O-CA 3.22Å; H56-I83 PolarHBondContact O-N 2.65Å
57I93Very high80.2Confident15 Ų1567.5 Ų67.58%0.07738%0.384CS..EExtended strand (participates in β ladder)trans-84.7136.2179.4-51.4-51.4000109.8C26 P27 M29 L55 I83 L90C26-I57 HydrophobicContact CB-CB 3.9Å; C26-I57 HydrophobicContact CB-CG2 3.85Å; C26-I57 VanDerWaalsContact CB-O 3.24Å; C26-I57 WeakPolarHBondContact CB-O 3.27Å; P27-I57 HydrophobicContact CG-CB 4.41Å; P27-I57 HydrophobicContact CG-CG1 4Å; P27-I57 WeakPolarHBondContact O-CB 3.12Å; P27-I57 WeakPolarHBondContact O-CG1 3.41Å; P27-I57 PolarHBondContact O-N 3.03Å; M29-I57 HydrophobicContact CE-CD1 3.88Å; M29-I57 HydrophobicContact CE-CG1 3.79Å; L55-I57 HydrophobicContact CB-CD1 3.97Å; L55-I57 HydrophobicContact CD1-CD1 4.37Å; I57-I83 HydrophobicContact CD1-CB 3.67Å; I57-I83 HydrophobicContact CD1-CG1 3.8Å; I57-I83 HydrophobicContact CD1-CG2 4.25Å; I57-L90 HydrophobicContact CD1-CB 4.49Å; I57-L90 HydrophobicContact CD1-CD1 3.97Å; I57-L90 HydrophobicContact CG1-CB 4.36Å; I57-L90 HydrophobicContact CG2-CB 3.7Å
58R92Very high79.2Confident27 Ų2768.6 Ų68.610%0.10239%0.387CS..EExtended strand (participates in β ladder)trans-139.1151.7171.865.2179.7-176.9-175.1-10.5110.7D60 K61 V82 I83 T84 D85 E165R58-D60 WeakPolarHBondContact CD-O 3.47Å; R58-K61 PolarHBondContact NH1-O 3Å; R58-V82 HydrophobicContact CG-CG1 4.41Å; R58-I83 PolarHBondContact N-O 3.15Å; R58-T84 HydrophobicContact CG-CG2 4.32Å; R58-T84 PolarHBondContact NE-OG1 3.24Å; R58-T84 PolarHBondContact NH2-OG1 2.94Å; R58-T84 VanDerWaalsContact NH2-OG1 3.14Å; R58-T84 CarbonylContact O-C 3.51Å; R58-T84 WeakPolarHBondContact O-CA 3.25Å; R58-D85 PolarHBondContact O-N 3.05Å; R58-E165 IonicContact CZ-OE2 2.66Å; R58-E165 IonicContact NH1-OE2 3.99Å; R58-E165 IonicContact NH2-OE2 3.37Å; R58-E165 PolarHBondContact NH2-OE2 3.16Å
59T91.5Very high78.2Confident61 Ų6170 Ų7037%0.37439%0.387SS..SBendtrans-86.9-28.717647.90000113.5D85 P86 A88T59-D85 WeakPolarHBondContact CA-O 3.31Å; T59-P86 WeakPolarHBondContact O-CA 3.45Å; T59-A88 HydrophobicContact CG2-CB 3.69Å
60D86.8Confident77.4Confident89 Ų8980 Ų8048%0.47642%0.422SS..  trans-135.5143.9-178.517914.9000110.4R58 Q62 S63R58-D60 WeakPolarHBondContact CD-O 3.47Å; D60-Q62 PolarHBondContact O-N 3.23Å; D60-Q62 PolarHBondContact OD1-N 3.3Å; D60-Q62 WeakPolarHBondContact OD2-CB 3.47Å; D60-S63 PolarHBondContact O-N 2.78Å; D60-S63 VanDerWaalsContact O-N 3.11Å; D60-S63 PolarHBondContact O-OG 2.9Å
61K80.4Confident76.7Confident112 Ų11277.9 Ų77.949%0.48741%0.414SS..THydrogen-bonded Turntrans-60.8-29.3175.4-61.4-169.4175.8-168.90112.7R58 S63 T84 D167R58-K61 PolarHBondContact NH1-O 3Å; K61-S63 VanDerWaalsContact C-N 3.3Å; K61-T84 HydrophobicContact CG-CG2 3.85Å; K61-D167 WeakPolarHBondContact CE-OD1 3.41Å; K61-D167 WeakPolarHBondContact CE-OD2 3.24Å; K61-D167 IonicContact NZ-OD1 2.73Å; K61-D167 PolarHBondContact NZ-OD1 3.29Å; K61-D167 VanDerWaalsContact NZ-OD1 3.11Å; K61-D167 IonicContact NZ-OD2 3.81Å; K61-D167 PolarHBondContact NZ-OD2 3.33Å
62Q73.9Confident76.2Confident160 Ų16076.5 Ų76.575%0.74841%0.412SS*.THydrogen-bonded Turntrans-79-12.4178.7-163.754.774.300113.5D60 D64D60-Q62 PolarHBondContact O-N 3.23Å; D60-Q62 PolarHBondContact OD1-N 3.3Å; D60-Q62 WeakPolarHBondContact OD2-CB 3.47Å; Q62-D64 PolarHBondContact O-N 2.94Å
63S68.2Low75.4Confident45 Ų4579 Ų7932%0.31544%0.439SS..SBendtrans-76.1119.517567.10000110.8D60 K61 V65D60-S63 PolarHBondContact O-N 2.78Å; D60-S63 VanDerWaalsContact O-N 3.11Å; D60-S63 PolarHBondContact O-OG 2.9Å; K61-S63 VanDerWaalsContact C-N 3.3Å; S63-V65 PolarHBondContact O-N 2.87Å
64D59.8Low75Confident145 Ų14583.3 Ų83.378%0.77546%0.462SS*.  trans-61.3126.8174.1-89.6-32.8000109.9Q62 T66Q62-D64 PolarHBondContact O-N 2.94Å; D64-T66 PolarHBondContact O-N 2.96Å
65V58.6Low74.8Confident69 Ų6983.7 Ų83.742%0.41846%0.464SS..  trans-61.5107.4161-179.20000105.9H56 S63 G67 V82H56-V65 HydrophobicContact CB-CG1 4.21Å; S63-V65 PolarHBondContact O-N 2.87Å; V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 2.85Å; V65-V82 HydrophobicContact CG2-CG1 4.2Å
66T50.1Low74.5Confident119 Ų11987.2 Ų87.273%0.7348%0.482SS*.  trans-68.983.7-171.435.90000111.4D64 S68D64-T66 PolarHBondContact O-N 2.96Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 2.84Å; T66-S68 PolarHBondContact O-OG 2.82Å
67G49.3Very low74.3Confident79 Ų7990.4 Ų90.481%0.81451%0.505SS*.  trans-6382.8-176.500000113V65V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 2.85Å
68S47.2Very low74.1Confident98 Ų9894.4 Ų94.469%0.68553%0.527SS*.  trans-133.2-0.117161.80000113.2T66T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 2.84Å; T66-S68 PolarHBondContact O-OG 2.82Å
69Q57.8Low74.1Confident112 Ų11295.1 Ų95.152%0.52353%0.53SS..SBendtrans-113.1133.5169-87.2179-78.500109.7R99Q69-R99 VanDerWaalsContact OE1-NE 3.08Å
70R67.8Low74.1Confident242 Ų24293.3 Ų93.391%0.91352%0.518SS*.PPolyproline II helixtrans-82.3131.8168.3178.4-178.6-83.5177.1-7.6107.4
71D77.3Confident74.4Confident76 Ų7689.6 Ų89.641%0.40650%0.498SS..PPolyproline II helixtrans-57.7148.4-178.9-54.9-27.4000111.5L54 H56 S73L54-D71 HydrophobicContact CD2-CB 4.23Å; H56-D71 IonicContact CE1-OD1 3.96Å; H56-D71 IonicContact NE2-OD1 1.85Å; D71-S73 PolarHBondContact O-N 3.46Å
72P80.4Confident75.1Confident45 Ų4585.8 Ų85.829%0.29248%0.484SS..PPolyproline II helixtrans-58.5129.5176.6-21.934000111.1D74 I75P72-D74 WeakPolarHBondContact CB-OD1 3.21Å; P72-D74 PolarHBondContact O-N 2.87Å; P72-D74 VanDerWaalsContact O-N 3.09Å; P72-I75 HydrophobicContact CB-CD1 4.03Å; P72-I75 HydrophobicContact CB-CG1 4.16Å; P72-I75 HydrophobicContact CG-CD1 3.89Å; P72-I75 PolarHBondContact O-N 2.93Å; P72-I75 VanDerWaalsContact O-N 3.17Å
73S77.5Confident76.1Confident130 Ų13078.3 Ų78.391%0.90945%0.449SS*.THydrogen-bonded Turntrans-69.5-6.1-175.754.80000114.6D71D71-S73 PolarHBondContact O-N 3.46Å
74D85.4Confident77.4Confident93 Ų9376.4 Ų76.450%0.49744%0.436SS..THydrogen-bonded Turntrans-96.34.4176.366.5-53.6000113.7K52 P72K52-D74 IonicContact NZ-OD2 2.72Å; K52-D74 PolarHBondContact NZ-OD2 2.91Å; P72-D74 WeakPolarHBondContact CB-OD1 3.21Å; P72-D74 PolarHBondContact O-N 2.87Å; P72-D74 VanDerWaalsContact O-N 3.09Å
75I87.7Confident79.1Confident14 Ų1469.5 Ų69.57%0.07240%0.399CS..SBendtrans-105.6134.4175-59.4-179000109.2E30 K52 L54 P72 V80E30-I75 HydrophobicContact CG-CD1 4.32Å; K52-I75 HydrophobicContact CB-CG1 4.11Å; L54-I75 HydrophobicContact CB-CD1 3.95Å; L54-I75 HydrophobicContact CB-CG2 4.36Å; L54-I75 HydrophobicContact CD1-CD1 3.96Å; L54-I75 HydrophobicContact CG-CD1 4.43Å; P72-I75 HydrophobicContact CB-CD1 4.03Å; P72-I75 HydrophobicContact CB-CG1 4.16Å; P72-I75 HydrophobicContact CG-CD1 3.89Å; P72-I75 PolarHBondContact O-N 2.93Å; P72-I75 VanDerWaalsContact O-N 3.17Å; I75-V80 HydrophobicContact CG2-CG2 4.19Å
76D88.1Confident80.7Confident75 Ų7569.6 Ų69.640%0.40140%0.4SS..  trans-66.8127.3173.9-174.5-33000109.3N78 R79D76-N78 PolarHBondContact O-N 2.72Å; D76-N78 VanDerWaalsContact OD1-CB 3.27Å; D76-N78 WeakPolarHBondContact OD1-CB 3.47Å; D76-N78 PolarHBondContact OD1-N 2.89Å; D76-N78 PolarHBondContact OD1-ND2 2.86Å; D76-N78 VanDerWaalsContact OD1-ND2 3.08Å; D76-R79 HydrophobicContact CB-CG 4.15Å; D76-R79 WeakPolarHBondContact O-CA 3.49Å; D76-R79 PolarHBondContact O-N 2.72Å
77P87.5Confident82.7Confident92 Ų9265.1 Ų65.160%0.59737%0.374SS*.G310 helixtrans-53.9-20.9175.3-27.836.1000114.9R79 K164P77-R79 VanDerWaalsContact C-N 3.28Å; P77-K164 PolarHBondContact O-NZ 3.07Å
78N88.9Confident84.8Confident100 Ų10063.4 Ų63.454%0.53535%0.352SS..G310 helixtrans-77.2-11.6174-61.1-47.1000114.2D76D76-N78 PolarHBondContact O-N 2.72Å; D76-N78 VanDerWaalsContact OD1-CB 3.27Å; D76-N78 WeakPolarHBondContact OD1-CB 3.47Å; D76-N78 PolarHBondContact OD1-N 2.89Å; D76-N78 PolarHBondContact OD1-ND2 2.86Å; D76-N78 VanDerWaalsContact OD1-ND2 3.08Å
79R91.2Very high86.9Confident42 Ų4260.7 Ų60.716%0.15833%0.33CS..G310 helixtrans-108.916.7177.2-57.6-55.5-172.1-176.43.7113F33 E51 K52 S53 L54 D76 P77 Y81F33-R79 VanDerWaalsContact CE1-NH2 3.34Å; E51-R79 IonicContact OE1-NH2 3.88Å; E51-R79 IonicContact OE2-CZ 3.31Å; E51-R79 IonicContact OE2-NE 3.11Å; E51-R79 PolarHBondContact OE2-NE 3.44Å; E51-R79 IonicContact OE2-NH2 2.74Å; E51-R79 PolarHBondContact OE2-NH2 2.86Å; K52-R79 VanDerWaalsContact O-CB 3.27Å; K52-R79 WeakPolarHBondContact O-CB 3.2Å; S53-R79 CarbonylContact C-O 3.58Å; S53-R79 WeakPolarHBondContact CA-O 3.4Å; S53-R79 WeakPolarHBondContact CB-O 3.17Å; L54-R79 PolarHBondContact N-O 2.9Å; D76-R79 HydrophobicContact CB-CG 4.15Å; D76-R79 WeakPolarHBondContact O-CA 3.49Å; D76-R79 PolarHBondContact O-N 2.72Å; P77-R79 VanDerWaalsContact C-N 3.28Å; R79-Y81 HydrophobicContact CB-CE2 4.5Å; R79-Y81 WeakPolarHBondContact CD-OH 3.35Å; R79-Y81 PolarHBondContact NH1-OH 2.82Å; R79-Y81 VanDerWaalsContact NH1-OH 3.13Å
80V92.7Very high88.6Confident22 Ų2255.4 Ų55.413%0.13331%0.305CS..EExtended strand (participates in β ladder)trans-96.3119.7169.1-176.60000108.2L54 I75 K164L54-V80 HydrophobicContact CB-CG1 4.4Å; L54-V80 HydrophobicContact CB-CG2 4.2Å; L54-V80 WeakPolarHBondContact O-CA 3.35Å; I75-V80 HydrophobicContact CG2-CG2 4.19Å; V80-K164 WeakPolarHBondContact O-CD 3.41Å
81Y93.6Very high89.8Confident12 Ų1244.3 Ų44.35%0.04727%0.265CS..EExtended strand (participates in β ladder)trans-124.3148.6-176.5-50.7-77.3000111F33 L54 L55 H56 R79 I109 K164 H166F33-Y81 HydrophobicContact CD2-CE2 4.44Å; L54-Y81 PolarHBondContact O-N 3.21Å; L55-Y81 WeakPolarHBondContact CA-O 3.34Å; L55-Y81 HydrophobicContact CD2-CD2 3.87Å; L55-Y81 HydrophobicContact CD2-CG 4.26Å; H56-Y81 PolarHBondContact N-O 2.92Å; R79-Y81 HydrophobicContact CB-CE2 4.5Å; R79-Y81 WeakPolarHBondContact CD-OH 3.35Å; R79-Y81 PolarHBondContact NH1-OH 2.82Å; R79-Y81 VanDerWaalsContact NH1-OH 3.13Å; Y81-I109 HydrophobicContact CD2-CD1 4.49Å; Y81-K164 WeakPolarHBondContact CA-O 3.33Å; Y81-K164 HydrophobicContact CD1-CB 4.36Å; Y81-H166 AromaticContact CD1-CE1 3.82Å; Y81-H166 AromaticContact CD1-NE2 3.2Å; Y81-H166 WeakPolarHBondContact CD1-NE2 3.39Å; Y81-H166 AromaticContact CE1-NE2 3.76Å; Y81-H166 AromaticContact CG-NE2 3.78Å
82V93.9Very high90.5Very high31 Ų3143.9 Ų43.919%0.18826%0.26CS..EExtended strand (participates in β ladder)trans-108.4119.2173.4-178.30000107.9H56 R58 V65 K164 E165 H166H56-V82 HydrophobicContact CB-CG2 4.4Å; H56-V82 WeakPolarHBondContact O-CA 3.22Å; R58-V82 HydrophobicContact CG-CG1 4.41Å; V65-V82 HydrophobicContact CG2-CG1 4.2Å; V82-K164 PolarHBondContact N-O 3.08Å; V82-E165 HydrophobicContact CB-CG 4.38Å; V82-E165 WeakPolarHBondContact O-CA 3.41Å; V82-H166 PolarHBondContact O-N 2.66Å
83I95.3Very high91Very high4 Ų445.5 Ų45.52%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-107.3118.3-176.1-47.6-57.8000109.3L55 H56 I57 R58 L90 H166 V168L55-I83 HydrophobicContact CB-CG1 4.23Å; L55-I83 HydrophobicContact CD1-CG1 4.1Å; L55-I83 HydrophobicContact CD2-CD1 3.82Å; L55-I83 HydrophobicContact CD2-CG1 3.81Å; L55-I83 HydrophobicContact CG-CG1 4.28Å; H56-I83 PolarHBondContact O-N 2.65Å; I57-I83 HydrophobicContact CD1-CB 3.67Å; I57-I83 HydrophobicContact CD1-CG1 3.8Å; I57-I83 HydrophobicContact CD1-CG2 4.25Å; R58-I83 PolarHBondContact N-O 3.15Å; I83-L90 HydrophobicContact CG2-CD1 4.05Å; I83-H166 WeakPolarHBondContact CA-O 3.36Å; I83-H166 HydrophobicContact CD1-CB 3.59Å; I83-V168 HydrophobicContact CG2-CG2 3.66Å
84T95.1Very high91.6Very high5 Ų539.6 Ų39.63%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-88.2114.1169.2-36.50000109.1R58 K61 H166 D167 V168R58-T84 HydrophobicContact CG-CG2 4.32Å; R58-T84 PolarHBondContact NE-OG1 3.24Å; R58-T84 PolarHBondContact NH2-OG1 2.94Å; R58-T84 VanDerWaalsContact NH2-OG1 3.14Å; R58-T84 CarbonylContact O-C 3.51Å; R58-T84 WeakPolarHBondContact O-CA 3.25Å; K61-T84 HydrophobicContact CG-CG2 3.85Å; T84-H166 PolarHBondContact N-O 2.83Å; T84-D167 WeakPolarHBondContact CB-OD1 3.45Å; T84-D167 PolarHBondContact OG1-OD1 3.21Å; T84-V168 WeakPolarHBondContact O-CG2 3.26Å; T84-V168 PolarHBondContact O-N 3.43Å
85D94.9Very high91.9Very high0 Ų035.1 Ų35.10%021%0.212CC..  trans-119.690173.7175.621.8000110.9R58 T59 S87 A88 N89 L90 V168R58-D85 PolarHBondContact O-N 3.05Å; T59-D85 WeakPolarHBondContact CA-O 3.31Å; D85-S87 PolarHBondContact O-N 3Å; D85-S87 VanDerWaalsContact O-N 3.16Å; D85-S87 WeakPolarHBondContact OD1-CB 2.98Å; D85-S87 PolarHBondContact OD1-N 3.17Å; D85-S87 VanDerWaalsContact OD1-N 3.08Å; D85-S87 PolarHBondContact OD1-OG 3.26Å; D85-A88 PolarHBondContact O-N 3.25Å; D85-N89 PolarHBondContact OD2-N 2.72Å; D85-L90 HydrophobicContact CB-CB 4.42Å; D85-L90 HydrophobicContact CB-CD1 4.11Å; D85-L90 HydrophobicContact CB-CG 4.35Å; D85-L90 WeakPolarHBondContact OD2-CB 3.46Å; D85-L90 WeakPolarHBondContact OD2-CG 3.47Å; D85-L90 PolarHBondContact OD2-N 2.9Å; D85-V168 HydrophobicContact CB-CG2 4.07Å
86P93.6Very high92Very high70 Ų7037.3 Ų37.346%0.45522%0.224SC..THydrogen-bonded Turntrans-61.5-20.7177.8-2334.7000114T59 A88 W194T59-P86 WeakPolarHBondContact O-CA 3.45Å; P86-A88 PolarHBondContact O-N 2.76Å; P86-W194 HydrophobicContact CB-CH2 3.96Å; P86-W194 HydrophobicContact CB-CZ2 3.94Å; P86-W194 HydrophobicContact CG-CH2 3.91Å; P86-W194 HydrophobicContact CG-CZ2 4.37Å
87S91.9Very high91.8Very high25 Ų2535.1 Ų35.118%0.17521%0.214CC..THydrogen-bonded Turntrans-76.9-11.5177.476.90000113.5D85 N89D85-S87 PolarHBondContact O-N 3Å; D85-S87 VanDerWaalsContact O-N 3.16Å; D85-S87 WeakPolarHBondContact OD1-CB 2.98Å; D85-S87 PolarHBondContact OD1-N 3.17Å; D85-S87 VanDerWaalsContact OD1-N 3.08Å; D85-S87 PolarHBondContact OD1-OG 3.26Å; S87-N89 WeakPolarHBondContact CB-ND2 3.46Å; S87-N89 PolarHBondContact O-N 2.98Å; S87-N89 WeakPolarHBondContact OG-CB 3.48Å; S87-N89 PolarHBondContact OG-ND2 2.99Å
88A92.9Very high91.5Very high43 Ų4335.9 Ų35.936%0.35522%0.219SC..  trans56.212.6-176.100000115.4T59 D85 P86 L90 C91T59-A88 HydrophobicContact CG2-CB 3.69Å; D85-A88 PolarHBondContact O-N 3.25Å; P86-A88 PolarHBondContact O-N 2.76Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 2.95Å; A88-C91 WeakPolarHBondContact O-CB 3.49Å; A88-C91 PolarHBondContact O-N 2.87Å
89N91.8Very high90.8Very high42 Ų4240.4 Ų40.423%0.22523%0.229CC..G310 helixtrans-63.2-34.2179.8-78.7-41.9000112.2D85 S87 C91 T173D85-N89 PolarHBondContact OD2-N 2.72Å; S87-N89 WeakPolarHBondContact CB-ND2 3.46Å; S87-N89 PolarHBondContact O-N 2.98Å; S87-N89 WeakPolarHBondContact OG-CB 3.48Å; S87-N89 PolarHBondContact OG-ND2 2.99Å; N89-C91 PolarHBondContact O-N 2.89Å; N89-T173 HydrophobicContact CB-CG2 3.61Å
90L93.7Very high90Very high0 Ų042.2 Ų42.20%026%0.261CS..G310 helixtrans-74.9-9.8173.7-62.7-178.7000113.7P27 I57 I83 D85 A88 H92 L95 F144 V153 T155 V168P27-L90 VanDerWaalsContact CD-O 3.24Å; P27-L90 WeakPolarHBondContact CD-O 3.28Å; P27-L90 VanDerWaalsContact CG-O 3.26Å; P27-L90 WeakPolarHBondContact CG-O 3.46Å; I57-L90 HydrophobicContact CD1-CB 4.49Å; I57-L90 HydrophobicContact CD1-CD1 3.97Å; I57-L90 HydrophobicContact CG1-CB 4.36Å; I57-L90 HydrophobicContact CG2-CB 3.7Å; I83-L90 HydrophobicContact CG2-CD1 4.05Å; D85-L90 HydrophobicContact CB-CB 4.42Å; D85-L90 HydrophobicContact CB-CD1 4.11Å; D85-L90 HydrophobicContact CB-CG 4.35Å; D85-L90 WeakPolarHBondContact OD2-CB 3.46Å; D85-L90 WeakPolarHBondContact OD2-CG 3.47Å; D85-L90 PolarHBondContact OD2-N 2.9Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 2.95Å; L90-H92 VanDerWaalsContact C-N 3.31Å; L90-L95 HydrophobicContact CD2-CD1 4.43Å; L90-F144 HydrophobicContact CD1-CE2 4.25Å; L90-F144 HydrophobicContact CD1-CZ 4.15Å; L90-F144 HydrophobicContact CD2-CD1 4.26Å; L90-F144 HydrophobicContact CD2-CD2 3.47Å; L90-F144 VanDerWaalsContact CD2-CD2 3.47Å; L90-F144 HydrophobicContact CD2-CE1 4.25Å; L90-F144 HydrophobicContact CD2-CE2 3.47Å; L90-F144 VanDerWaalsContact CD2-CE2 3.47Å; L90-F144 HydrophobicContact CD2-CG 3.89Å; L90-F144 HydrophobicContact CD2-CZ 3.88Å; L90-V153 HydrophobicContact CD2-CB 4.08Å; L90-V153 HydrophobicContact CD2-CG1 3.69Å; L90-T155 HydrophobicContact CD1-CG2 4.41Å; L90-T155 HydrophobicContact CD2-CG2 4.35Å; L90-V168 HydrophobicContact CD1-CG2 4.46Å
91C92.4Very high89.5Confident10 Ų1043.1 Ų43.17%0.06827%0.268CS..G310 helixtrans-91.812.7178.4-500000113.1C26 A88 N89C26-C91 HydrophobicContact CB-CB 3.91Å; C26-C91 WeakPolarHBondContact CB-SG 3.41Å; C26-C91 WeakPolarHBondContact SG-CB 3.44Å; C26-C91 CovalentContact SG-SG 2.04Å; C26-C91 PolarHBondContact SG-SG 2.94Å; A88-C91 WeakPolarHBondContact O-CB 3.49Å; A88-C91 PolarHBondContact O-N 2.87Å; N89-C91 PolarHBondContact O-N 2.89Å
92H92.4Very high89Confident66 Ų6650.6 Ų50.631%0.30631%0.307SS..  trans-62.8141.5177.1-168.2-101.2000112.6L90 S94 L95 N96 I151L90-H92 VanDerWaalsContact C-N 3.31Å; H92-S94 VanDerWaalsContact C-N 3.27Å; H92-S94 PolarHBondContact CE1-OG 3.41Å; H92-S94 PolarHBondContact ND1-N 3.15Å; H92-S94 PolarHBondContact ND1-OG 2.79Å; H92-S94 PolarHBondContact O-N 3.09Å; H92-S94 VanDerWaalsContact O-N 3.15Å; H92-L95 HydrophobicContact CB-CD1 4.36Å; H92-L95 WeakPolarHBondContact O-CA 3.39Å; H92-L95 WeakPolarHBondContact O-CB 3.24Å; H92-L95 PolarHBondContact O-N 3.19Å; H92-N96 PolarHBondContact O-N 2.85Å; H92-I151 HydrophobicContact CB-CD1 4.09Å; H92-I151 HydrophobicContact CB-CG2 4.46Å
93A90.3Very high88.7Confident79 Ų7954.9 Ų54.965%0.65333%0.325SS*.G310 helixtrans-58.8-33.2-173.300000114.2L95 N96A93-L95 PolarHBondContact O-N 3.01Å; A93-N96 CarbonylContact O-C 3.6Å; A93-N96 PolarHBondContact O-N 2.86Å; A93-N96 VanDerWaalsContact O-N 3.1Å
94S91.2Very high88.4Confident6 Ų659.3 Ų59.34%0.04234%0.344CS..G310 helixtrans-72.8-11.317768.40000114.4H92 G146 L147 I151H92-S94 VanDerWaalsContact C-N 3.27Å; H92-S94 PolarHBondContact CE1-OG 3.41Å; H92-S94 PolarHBondContact ND1-N 3.15Å; H92-S94 PolarHBondContact ND1-OG 2.79Å; H92-S94 PolarHBondContact O-N 3.09Å; H92-S94 VanDerWaalsContact O-N 3.15Å; S94-G146 WeakPolarHBondContact O-CA 3.3Å; S94-L147 PolarHBondContact O-N 2.9Å; S94-I151 VanDerWaalsContact OG-CG2 3.29Å; S94-I151 WeakPolarHBondContact OG-CG2 3.25Å
95L91.2Very high88.3Confident0 Ų059.9 Ų59.90%035%0.348CS..G310 helixtrans-96.2-12.5170.4-63.3173.1000111.8P27 M29 L90 H92 A93 P97 P105 F144 I151 V153P27-L95 VanDerWaalsContact CB-O 3.3Å; P27-L95 WeakPolarHBondContact CB-O 3.3Å; P27-L95 HydrophobicContact CG-CB 4.33Å; M29-L95 HydrophobicContact SD-CB 3.97Å; M29-L95 HydrophobicContact SD-CD2 4.27Å; L90-L95 HydrophobicContact CD2-CD1 4.43Å; H92-L95 HydrophobicContact CB-CD1 4.36Å; H92-L95 WeakPolarHBondContact O-CA 3.39Å; H92-L95 WeakPolarHBondContact O-CB 3.24Å; H92-L95 PolarHBondContact O-N 3.19Å; A93-L95 PolarHBondContact O-N 3.01Å; L95-P97 VanDerWaalsContact O-CD 3.24Å; L95-P97 WeakPolarHBondContact O-CD 3.04Å; L95-P105 HydrophobicContact CD2-CB 3.93Å; L95-F144 HydrophobicContact CD2-CB 4.04Å; L95-I151 HydrophobicContact CD1-CG2 4.33Å; L95-I151 HydrophobicContact CG-CG2 4.17Å; L95-V153 HydrophobicContact CD1-CG2 4.14Å
96N89Confident88.2Confident59 Ų5965.5 Ų65.532%0.31637%0.374SS..SBendtrans-116.766.6177.6-1648.3000112.6S25 P27 H92 A93S25-N96 PolarHBondContact O-ND2 2.92Å; P27-N96 HydrophobicContact CB-CB 3.74Å; P27-N96 HydrophobicContact CG-CB 4.34Å; H92-N96 PolarHBondContact O-N 2.85Å; A93-N96 CarbonylContact O-C 3.6Å; A93-N96 PolarHBondContact O-N 2.86Å; A93-N96 VanDerWaalsContact O-N 3.1Å
97P83.6Confident88.3Confident29 Ų2962.6 Ų62.619%0.18836%0.355CS..PPolyproline II helixtrans-65.1151.2176.729.5-35.8000111.9L95 L147L95-P97 VanDerWaalsContact O-CD 3.24Å; L95-P97 WeakPolarHBondContact O-CD 3.04Å; P97-L147 HydrophobicContact CB-CD1 3.83Å; P97-L147 HydrophobicContact CG-CD1 4.47Å
98P81.4Confident88.5Confident109 Ų10965 Ų6571%0.70836%0.364SS*.PPolyproline II helixtrans-53.7142.8175.5-26.635000113G100 S101P98-G100 PolarHBondContact O-N 3.21Å; P98-S101 VanDerWaalsContact O-CB 3.26Å; P98-S101 WeakPolarHBondContact O-CB 3.06Å; P98-S101 PolarHBondContact O-N 3.41Å
99R74.5Confident88.6Confident194 Ų19463 Ų6373%0.73235%0.347SS*.THydrogen-bonded Turntrans-53.1130.8178.2-68.8-177.2178.6165.80.9110.8Q69Q69-R99 VanDerWaalsContact OE1-NE 3.08Å
100G74.4Confident88.8Confident81 Ų8162.9 Ų62.984%0.83535%0.346SS*.THydrogen-bonded Turntrans86.52.5-176.600000115P98 I102P98-G100 PolarHBondContact O-N 3.21Å; G100-I102 PolarHBondContact O-N 2.88Å
101S82.8Confident88.8Confident41 Ų4165.7 Ų65.729%0.28736%0.364SS..  trans-56.9131.1169.4-177.10000111.3P98 Q103P98-S101 VanDerWaalsContact O-CB 3.26Å; P98-S101 WeakPolarHBondContact O-CB 3.06Å; P98-S101 PolarHBondContact O-N 3.41Å; S101-Q103 WeakPolarHBondContact CB-O 3.25Å; S101-Q103 PolarHBondContact OG-N 2.97Å; S101-Q103 PolarHBondContact OG-O 2.73Å
102I83.6Confident89Confident169 Ų16966.9 Ų66.987%0.86737%0.369SS*.SBendtrans-71-36.7174.7-59.9172.7000110.1G100G100-I102 PolarHBondContact O-N 2.88Å
103Q86.8Confident89.1Confident120 Ų12069.9 Ų69.956%0.56139%0.386SS*.  trans-85.7123.8173.8-67.1-177.5-10.900109.5S101 L147S101-Q103 WeakPolarHBondContact CB-O 3.25Å; S101-Q103 PolarHBondContact OG-N 2.97Å; S101-Q103 PolarHBondContact OG-O 2.73Å; Q103-L147 HydrophobicContact CB-CD2 3.89Å
104K88.6Confident89.3Confident98 Ų9867.3 Ų67.343%0.42636%0.363SS..  trans-113.1150.7173.8-59.4-173.6-171.5-176.60109.2E30 L147E30-K104 IonicContact OE1-NZ 3.42Å; E30-K104 PolarHBondContact OE1-NZ 2.82Å; E30-K104 IonicContact OE2-NZ 3.51Å; E30-K104 PolarHBondContact OE2-NZ 3.45Å; K104-L147 WeakPolarHBondContact O-CD2 3.22Å
105P92.5Very high89.4Confident16 Ų1673 Ų7310%0.10439%0.389CS..  trans-58.6154.6168.428.4-36.5000110.4M29 L95 Q145M29-P105 HydrophobicContact SD-CG 4.38Å; L95-P105 HydrophobicContact CD2-CB 3.93Å; P105-Q145 CarbonylContact C-O 3.49Å; P105-Q145 VanDerWaalsContact CA-O 3.31Å; P105-Q145 WeakPolarHBondContact CA-O 3.48Å; P105-Q145 VanDerWaalsContact CB-O 3.25Å; P105-Q145 WeakPolarHBondContact CB-O 3.42Å
106Q94.1Very high89.4Confident119 Ų11976.4 Ų76.456%0.55641%0.411SS*.EExtended strand (participates in β ladder)trans-81.3140.5169.4-58.2-61.8-39.400108.9F144 Q145Q106-F144 WeakPolarHBondContact O-CA 3.39Å; Q106-Q145 HydrophobicContact CB-CB 4.04Å; Q106-Q145 PolarHBondContact N-O 2.8Å; Q106-Q145 PolarHBondContact O-N 2.95Å
107C95.4Very high89.5Confident8 Ų875.1 Ų75.15%0.05441%0.407CS..EExtended strand (participates in β ladder)trans-149.2127.6177.41790000110.7C31 W32 S143 F144C31-C107 HydrophobicContact CB-CB 3.71Å; C31-C107 WeakPolarHBondContact CB-SG 3.47Å; C31-C107 WeakPolarHBondContact SG-CB 3.43Å; C31-C107 CovalentContact SG-SG 2.02Å; C31-C107 PolarHBondContact SG-SG 2.84Å; W32-C107 PolarHBondContact N-O 2.96Å; C107-S143 WeakPolarHBondContact CA-O 3.42Å; C107-F144 HydrophobicContact CB-CD1 4.11Å; C107-F144 WeakPolarHBondContact SG-CD1 3.26Å; C107-F144 WeakPolarHBondContact SG-CE1 3.43Å
108E95.8Very high89.8Confident76 Ų7679.2 Ų79.236%0.35544%0.436SS..EExtended strand (participates in β ladder)trans-128.1140.3175.1-161-177.6119.700109.7W32 V34 N110 S142 S143W32-E108 CarbonylContact O-C 3.59Å; W32-E108 WeakPolarHBondContact O-CA 3.41Å; V34-E108 HydrophobicContact CB-CG 4.2Å; V34-E108 HydrophobicContact CG2-CG 3.54Å; E108-N110 PolarHBondContact OE1-ND2 2.92Å; E108-S142 CarbonylContact O-C 3.5Å; E108-S142 VanDerWaalsContact O-CA 3.25Å; E108-S142 WeakPolarHBondContact O-CA 3.37Å; E108-S143 PolarHBondContact N-O 2.68Å; E108-S143 PolarHBondContact O-N 3.03Å
109I95.7Very high90.3Very high1 Ų176 Ų761%0.00541%0.413CS..EExtended strand (participates in β ladder)trans-129.2125.9178.8-51.6169.1000107.9C31 W32 F33 V34 L55 Y81 F140C31-I109 HydrophobicContact CB-CD1 3.71Å; C31-I109 HydrophobicContact CB-CG1 4.02Å; W32-I109 PolarHBondContact O-N 3.11Å; F33-I109 CarbonylContact C-O 3.54Å; F33-I109 WeakPolarHBondContact CA-O 3.42Å; F33-I109 HydrophobicContact CD2-CB 4.38Å; F33-I109 HydrophobicContact CD2-CG2 4.2Å; V34-I109 PolarHBondContact N-O 2.96Å; L55-I109 HydrophobicContact CD1-CD1 3.87Å; L55-I109 HydrophobicContact CD1-CG1 4.48Å; L55-I109 HydrophobicContact CD2-CD1 3.63Å; L55-I109 HydrophobicContact CG-CD1 3.91Å; Y81-I109 HydrophobicContact CD2-CD1 4.49Å; I109-F140 HydrophobicContact CG2-CB 4.18Å; I109-F140 HydrophobicContact CG2-CD1 4.3Å
110N95.2Very high91Very high40 Ų4073.3 Ų73.321%0.21441%0.413CS..EExtended strand (participates in β ladder)trans-122.1145.7177.5-71.6-83.5000110.3V34 E108 F112 F140 S141V34-N110 WeakPolarHBondContact CB-OD1 3.35Å; V34-N110 PolarHBondContact O-OD1 2.87Å; E108-N110 PolarHBondContact OE1-ND2 2.92Å; N110-F112 PolarHBondContact O-N 3.14Å; N110-F140 CarbonylContact O-C 3.57Å; N110-F140 VanDerWaalsContact O-CA 3.26Å; N110-F140 WeakPolarHBondContact O-CA 3.4Å; N110-S141 PolarHBondContact N-O 3.17Å; N110-S141 PolarHBondContact O-N 2.02Å
111P94.9Very high91.6Very high58 Ų5872.6 Ų72.638%0.37739%0.385SS..EExtended strand (participates in β ladder)trans-56.4132161.7-22.934000110.5F33 V34 Q35F33-P111 HydrophobicContact CE2-CG 4.27Å; F33-P111 HydrophobicContact CZ-CG 3.71Å; V34-P111 WeakPolarHBondContact O-CD 3.2Å; Q35-P111 HydrophobicContact CG-CG 4.37Å
112F95.2Very high92.1Very high36 Ų3670.8 Ų70.816%0.15837%0.372CS..EExtended strand (participates in β ladder)trans-110141.2176.3-176.1-96.1000109.8N110 P114 W139 I156 L276 L277N110-F112 PolarHBondContact O-N 3.14Å; F112-P114 HydrophobicContact CD1-CG 4.16Å; F112-P114 HydrophobicContact CE1-CB 4.4Å; F112-P114 HydrophobicContact CE1-CG 4.19Å; F112-W139 HydrophobicContact CB-CB 4.11Å; F112-W139 HydrophobicContact CD1-CB 4.13Å; F112-W139 PolarHBondContact N-O 2.99Å; F112-W139 WeakPolarHBondContact O-CB 3.05Å; F112-I156 HydrophobicContact CD1-CD1 4.43Å; F112-I156 HydrophobicContact CD1-CG2 4.3Å; F112-I156 HydrophobicContact CD2-CD1 3.76Å; F112-I156 HydrophobicContact CE2-CD1 3.96Å; F112-I156 HydrophobicContact CG-CD1 4.02Å; F112-I156 HydrophobicContact CZ-CD1 4.39Å; F112-L276 HydrophobicContact CD1-CD2 4.42Å; F112-L276 HydrophobicContact CE1-CD2 3.74Å; F112-L277 HydrophobicContact CE2-CG 4.43Å
113L94.3Very high92.5Very high128 Ų12865 Ų6567%0.6735%0.349SS*.  trans-115.1109174.6-178.463.3000109.2Q115L113-Q115 PolarHBondContact O-N 3.17Å
114P94.8Very high92.8Very high26 Ų2659.5 Ų59.517%0.16932%0.324CS..  trans-59.4124.4175.6-24.734.2000111.9F112 L135 W139 Y275 L276F112-P114 HydrophobicContact CD1-CG 4.16Å; F112-P114 HydrophobicContact CE1-CB 4.4Å; F112-P114 HydrophobicContact CE1-CG 4.19Å; P114-L135 HydrophobicContact CB-CD1 4.12Å; P114-L135 HydrophobicContact CB-CD2 4.16Å; P114-L135 HydrophobicContact CG-CD2 4.5Å; P114-W139 HydrophobicContact CG-CB 4.26Å; P114-W139 VanDerWaalsContact CG-CD1 3.46Å; P114-W139 HydrophobicContact CG-CD2 3.85Å; P114-W139 HydrophobicContact CG-CG 3.62Å; P114-Y275 CarbonylContact C-O 3.57Å; P114-Y275 VanDerWaalsContact CA-O 3.24Å; P114-Y275 WeakPolarHBondContact CA-O 3.29Å; P114-L276 HydrophobicContact CB-CD2 3.99Å; P114-L276 HydrophobicContact CG-CD2 4Å
115Q92.7Very high93Very high126 Ų12655.4 Ų55.459%0.58931%0.307SS*.  trans-152.5146.9-177.461.6-175.6-26.500110.5L113 Y275L113-Q115 PolarHBondContact O-N 3.17Å; Q115-Y275 PolarHBondContact N-O 3.25Å; Q115-Y275 CarbonylContact O-C 3.53Å; Q115-Y275 WeakPolarHBondContact O-CA 3.29Å
116P92Very high92.9Very high71 Ų7155.7 Ų55.746%0.46131%0.308SS..  trans-63.5144.3177.228.9-34.9000110.4T126 Y275P116-T126 HydrophobicContact CB-CG2 4.03Å; P116-Y275 HydrophobicContact CB-CD1 4.29Å; P116-Y275 HydrophobicContact CB-CE1 4.17Å; P116-Y275 HydrophobicContact CG-CE1 4.39Å
117S91.6Very high92.4Very high32 Ų3256 Ų5622%0.22431%0.309CS..  trans-68.8140.3174.8-174.40000110.4L119S117-L119 PolarHBondContact O-N 2.91Å; S117-L119 WeakPolarHBondContact OG-CB 3.17Å; S117-L119 WeakPolarHBondContact OG-CG 3.47Å; S117-L119 PolarHBondContact OG-N 3.23Å
118S89.7Confident91.7Very high114 Ų11459.3 Ų59.380%0.79733%0.333SS*.  trans-80.60172.855.70000113.4
119L91.5Very high90.8Very high43 Ų4359.9 Ų59.923%0.22535%0.351CS..  trans-87.2124.7-175-58175.1000111.6S117 W121 V122 A123 E209 Y272S117-L119 PolarHBondContact O-N 2.91Å; S117-L119 WeakPolarHBondContact OG-CB 3.17Å; S117-L119 WeakPolarHBondContact OG-CG 3.47Å; S117-L119 PolarHBondContact OG-N 3.23Å; L119-W121 HydrophobicContact CB-CD2 4.28Å; L119-W121 HydrophobicContact CB-CZ2 4.14Å; L119-W121 HydrophobicContact CD1-CZ2 3.86Å; L119-W121 HydrophobicContact CD2-CH2 4.05Å; L119-W121 HydrophobicContact CD2-CZ2 3.84Å; L119-W121 HydrophobicContact CG-CZ2 4.17Å; L119-W121 PolarHBondContact O-N 2.79Å; L119-W121 VanDerWaalsContact O-N 3.15Å; L119-V122 HydrophobicContact CB-CB 4.42Å; L119-V122 HydrophobicContact CB-CG2 4.01Å; L119-V122 HydrophobicContact CD1-CG2 4.42Å; L119-V122 PolarHBondContact O-N 2.97Å; L119-A123 PolarHBondContact O-N 2.72Å; L119-E209 VanDerWaalsContact CD1-OE2 3.3Å; L119-E209 WeakPolarHBondContact CD1-OE2 3.07Å; L119-Y272 HydrophobicContact CD1-CE1 4.34Å; L119-Y272 HydrophobicContact CD1-CE2 4.41Å; L119-Y272 VanDerWaalsContact CD1-OH 3.25Å; L119-Y272 WeakPolarHBondContact CD1-OH 3.46Å
120N88.8Confident90.2Very high137 Ų13766 Ų6673%0.73338%0.383SS*.THydrogen-bonded Turntrans-58.2-31-175.7-67.3-22.2000114.1V122N120-V122 VanDerWaalsContact C-N 3.31Å
121W88.6Confident89.7Confident65 Ų6568.4 Ų68.425%0.24640%0.403CS..THydrogen-bonded Turntrans-78.3-11177.354.285.7000114.1L119 E209 L220 A223 A232L119-W121 HydrophobicContact CB-CD2 4.28Å; L119-W121 HydrophobicContact CB-CZ2 4.14Å; L119-W121 HydrophobicContact CD1-CZ2 3.86Å; L119-W121 HydrophobicContact CD2-CH2 4.05Å; L119-W121 HydrophobicContact CD2-CZ2 3.84Å; L119-W121 HydrophobicContact CG-CZ2 4.17Å; L119-W121 PolarHBondContact O-N 2.79Å; L119-W121 VanDerWaalsContact O-N 3.15Å; W121-E209 VanDerWaalsContact CZ2-OE2 3.28Å; W121-E209 WeakPolarHBondContact CZ2-OE2 3.48Å; W121-E209 PolarHBondContact NE1-OE2 2.83Å; W121-L220 HydrophobicContact CH2-CD2 4.08Å; W121-L220 HydrophobicContact CZ2-CD1 4.48Å; W121-L220 HydrophobicContact CZ2-CD2 4.18Å; W121-L220 HydrophobicContact CZ3-CD2 4.32Å; W121-A223 HydrophobicContact CD2-CB 4.22Å; W121-A223 HydrophobicContact CG-CB 3.93Å; W121-A232 HydrophobicContact CB-CB 4.37Å
122V92.6Very high89.4Confident4 Ų467.9 Ų67.92%0.02440%0.399CS..THydrogen-bonded Turntrans-104.6-9.8176.5-169.80000111.4L119 N120 S124 L125 A207 Y272L119-V122 HydrophobicContact CB-CB 4.42Å; L119-V122 HydrophobicContact CB-CG2 4.01Å; L119-V122 HydrophobicContact CD1-CG2 4.42Å; L119-V122 PolarHBondContact O-N 2.97Å; N120-V122 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 3.31Å; V122-L125 HydrophobicContact CG1-CD1 3.73Å; V122-L125 HydrophobicContact CG1-CG 4.17Å; V122-L125 WeakPolarHBondContact O-CB 3.43Å; V122-L125 PolarHBondContact O-N 3.47Å; V122-A207 HydrophobicContact CG1-CB 4.35Å; V122-A207 HydrophobicContact CG2-CB 4.28Å; V122-Y272 HydrophobicContact CG1-CD1 3.98Å; V122-Y272 HydrophobicContact CG1-CD2 4.37Å; V122-Y272 HydrophobicContact CG1-CG 3.75Å; V122-Y272 HydrophobicContact CG2-CD1 4.35Å; V122-Y272 HydrophobicContact CG2-CD2 3.82Å; V122-Y272 HydrophobicContact CG2-CE2 4.05Å; V122-Y272 HydrophobicContact CG2-CG 3.99Å
123A91.5Very high89.2Confident46 Ų4671.3 Ų71.338%0.3842%0.423SS..G310 helixtrans-57.4-27.3-17300000114.2L119 L125 T126 E127L119-A123 PolarHBondContact O-N 2.72Å; A123-L125 PolarHBondContact O-N 3.11Å; A123-T126 PolarHBondContact O-N 3.16Å; A123-T126 VanDerWaalsContact O-N 3.17Å; A123-E127 PolarHBondContact O-N 2.89Å
124S92.6Very high89.1Confident5 Ų568 Ų684%0.03540%0.402CS..G310 helixtrans-56.1-34.1175.264.10000112.3V122 T126 E127 D225 K227V122-S124 PolarHBondContact O-N 3.31Å; S124-T126 PolarHBondContact O-N 2.87Å; S124-E127 WeakPolarHBondContact O-CG 3.42Å; S124-D225 WeakPolarHBondContact CB-OD2 3.28Å; S124-D225 PolarHBondContact OG-OD1 3.15Å; S124-D225 PolarHBondContact OG-OD2 2.9Å; S124-K227 WeakPolarHBondContact O-CD 3.21Å; S124-K227 PolarHBondContact O-NZ 2.93Å
125L92.9Very high89Confident12 Ų1267.6 Ų67.66%0.06340%0.399CS..G310 helixtrans-68.4-18.6-178.4-57.1-172000113.5V122 A123 A207 K227 P274V122-L125 HydrophobicContact CG1-CD1 3.73Å; V122-L125 HydrophobicContact CG1-CG 4.17Å; V122-L125 WeakPolarHBondContact O-CB 3.43Å; V122-L125 PolarHBondContact O-N 3.47Å; A123-L125 PolarHBondContact O-N 3.11Å; L125-A207 HydrophobicContact CD1-CB 4.18Å; L125-K227 HydrophobicContact CD2-CB 3.86Å; L125-K227 HydrophobicContact CD2-CD 4.26Å; L125-P274 HydrophobicContact CB-CG 4.26Å; L125-P274 WeakPolarHBondContact O-CB 3.22Å
126T91.4Very high89Confident22 Ų2268.6 Ų68.614%0.13540%0.403CS..G310 helixtrans-129.324-174.956.30000114.1P116 A123 S124 S128 A129 P274 Y275P116-T126 HydrophobicContact CB-CG2 4.03Å; A123-T126 PolarHBondContact O-N 3.16Å; A123-T126 VanDerWaalsContact O-N 3.17Å; S124-T126 PolarHBondContact O-N 2.87Å; T126-S128 PolarHBondContact O-N 3.44Å; T126-S128 VanDerWaalsContact O-N 3.1Å; T126-A129 PolarHBondContact O-N 3.43Å; T126-P274 HydrophobicContact CG2-CB 4.38Å; T126-Y275 HydrophobicContact CG2-CD1 4.31Å; T126-Y275 HydrophobicContact CG2-CD2 4.08Å; T126-Y275 HydrophobicContact CG2-CE1 4.08Å; T126-Y275 HydrophobicContact CG2-CE2 3.85Å; T126-Y275 HydrophobicContact CG2-CG 4.3Å
127E83.7Confident89.1Confident125 Ų12566 Ų6658%0.58439%0.388SS*.THydrogen-bonded Turntrans-53.3-29.4-179.9-74.7167.9162.800115A123 S124 A129 K227A123-E127 PolarHBondContact O-N 2.89Å; S124-E127 WeakPolarHBondContact O-CG 3.42Å; E127-A129 PolarHBondContact O-N 2.85Å; E127-K227 IonicContact OE2-NZ 3.14Å; E127-K227 PolarHBondContact OE2-NZ 3.35Å
128S80.5Confident89.3Confident79 Ų7967.4 Ų67.455%0.55239%0.393SS*.THydrogen-bonded Turntrans-65-18.717963.20000113.5T126 L130T126-S128 PolarHBondContact O-N 3.44Å; T126-S128 VanDerWaalsContact O-N 3.1Å; S128-L130 WeakPolarHBondContact O-CG 3.41Å; S128-L130 PolarHBondContact O-N 2.91Å
129A76.3Confident89.6Confident88 Ų8862.3 Ų62.373%0.72736%0.356SS*.  trans52.319.4-174.100000114.7T126 E127T126-A129 PolarHBondContact O-N 3.43Å; E127-A129 PolarHBondContact O-N 2.85Å
130L83.9Confident89.9Confident129 Ų12961.4 Ų61.468%0.67535%0.35SS*.  trans-121.9119.6-178.8-69.4174.5000109.9S128 P132 Y275S128-L130 WeakPolarHBondContact O-CG 3.41Å; S128-L130 PolarHBondContact O-N 2.91Å; L130-P132 VanDerWaalsContact O-CD 3.3Å; L130-P132 WeakPolarHBondContact O-CD 3.46Å; L130-Y275 PolarHBondContact O-OH 3.28Å
131S84.1Confident90.3Very high90 Ų9056.5 Ų56.563%0.62933%0.326SS*.  trans-67.6119.5175.2-54.30000110.7
132P88.4Confident90.7Very high48 Ų4853.7 Ų53.731%0.31232%0.317SS..  trans-61.8142.8178-24.834.9000112.5L130 Y134 L135 Y275L130-P132 VanDerWaalsContact O-CD 3.3Å; L130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-Y134 PolarHBondContact O-N 2.86Å; P132-Y134 VanDerWaalsContact O-N 3.1Å; P132-L135 WeakPolarHBondContact O-CB 3.45Å; P132-L135 PolarHBondContact O-N 2.85Å; P132-Y275 VanDerWaalsContact CD-CE2 3.43Å; P132-Y275 HydrophobicContact CG-CE2 4.2Å
133V91Very high90.9Very high108 Ų10856 Ų5666%0.65533%0.334SS*.G310 helixtrans-56.3-28.7174.8179.70000111.8L135 Q136V133-L135 PolarHBondContact O-N 3.48Å; V133-L135 VanDerWaalsContact O-N 3.13Å; V133-Q136 VanDerWaalsContact O-CB 3.3Å; V133-Q136 WeakPolarHBondContact O-CB 3.48Å; V133-Q136 WeakPolarHBondContact O-CG 3.48Å; V133-Q136 PolarHBondContact O-N 3.44Å
134Y91.9Very high91.1Very high57 Ų5754.2 Ų54.222%0.22432%0.317CS..G310 helixtrans-54-30.2174.5-176.8-99.4000113.9P132 Q136 W139 R158 I169 T199 P200 L201P132-Y134 PolarHBondContact O-N 2.86Å; P132-Y134 VanDerWaalsContact O-N 3.1Å; Y134-Q136 VanDerWaalsContact C-N 3.26Å; Y134-Q136 PolarHBondContact O-N 3.26Å; Y134-W139 HydrophobicContact CD1-CZ2 4.44Å; Y134-W139 AromaticContact CE1-CH2 3.98Å; Y134-W139 HydrophobicContact CE1-CH2 3.98Å; Y134-W139 HydrophobicContact CE1-CZ2 4.24Å; Y134-R158 PolarHBondContact O-NE 2.96Å; Y134-R158 PolarHBondContact O-NH2 2.89Å; Y134-I169 WeakPolarHBondContact OH-CD1 3.33Å; Y134-T199 HydrophobicContact CE1-CG2 4.43Å; Y134-T199 WeakPolarHBondContact OH-CG2 3.48Å; Y134-P200 HydrophobicContact CD1-CG 4.23Å; Y134-P200 HydrophobicContact CD2-CG 4.18Å; Y134-P200 HydrophobicContact CG-CG 3.89Å; Y134-L201 HydrophobicContact CD1-CD1 4.29Å; Y134-L201 HydrophobicContact CD1-CG 4.34Å; Y134-L201 HydrophobicContact CE1-CD1 4.15Å; Y134-L201 HydrophobicContact CE1-CG 4.43Å
135L92.6Very high91.3Very high19 Ų1957.2 Ų57.210%0.09933%0.33CS..G310 helixtrans-72.6-12.8177.5-59.1-177.7000113.9P114 P132 V133 A137 W139 L201 Y275 L276P114-L135 HydrophobicContact CB-CD1 4.12Å; P114-L135 HydrophobicContact CB-CD2 4.16Å; P114-L135 HydrophobicContact CG-CD2 4.5Å; P132-L135 WeakPolarHBondContact O-CB 3.45Å; P132-L135 PolarHBondContact O-N 2.85Å; V133-L135 PolarHBondContact O-N 3.48Å; V133-L135 VanDerWaalsContact O-N 3.13Å; L135-A137 VanDerWaalsContact C-N 3.28Å; L135-A137 PolarHBondContact O-N 3.06Å; L135-W139 HydrophobicContact CD2-CH2 4.3Å; L135-W139 HydrophobicContact CD2-CZ2 3.74Å; L135-W139 PolarHBondContact O-NE1 2.87Å; L135-L201 HydrophobicContact CD2-CD1 4.45Å; L135-Y275 HydrophobicContact CD1-CD1 4.09Å; L135-Y275 HydrophobicContact CD1-CD2 3.68Å; L135-Y275 HydrophobicContact CD1-CE2 4.39Å; L135-Y275 HydrophobicContact CD1-CG 3.52Å; L135-L276 HydrophobicContact CD2-CD2 4.45Å
136Q92.9Very high91.3Very high147 Ų14756.8 Ų56.869%0.68733%0.329SS*.  trans-73.882.1176.8-61.5-179-2.200110.4V133 Y134V133-Q136 VanDerWaalsContact O-CB 3.3Å; V133-Q136 WeakPolarHBondContact O-CB 3.48Å; V133-Q136 WeakPolarHBondContact O-CG 3.48Å; V133-Q136 PolarHBondContact O-N 3.44Å; Y134-Q136 VanDerWaalsContact C-N 3.26Å; Y134-Q136 PolarHBondContact O-N 3.26Å
137A94.6Very high91.3Very high17 Ų1757.3 Ų57.314%0.1433%0.331CS..SBendtrans-160.9171.9-179.700000109.1L135 R158L135-A137 VanDerWaalsContact C-N 3.28Å; L135-A137 PolarHBondContact O-N 3.06Å; A137-R158 HydrophobicContact CB-CG 3.65Å
138D95.6Very high91.6Very high60 Ų6057.5 Ų57.532%0.32134%0.336SS..EExtended strand (participates in β ladder)trans-82.5136.2166.9-56.4-19000107.7F140 A159 T161 G162D138-F140 HydrophobicContact CB-CE2 3.94Å; D138-F140 HydrophobicContact CB-CZ 4.25Å; D138-A159 HydrophobicContact CB-CB 4.44Å; D138-A159 PolarHBondContact N-O 2.81Å; D138-A159 PolarHBondContact O-N 2.84Å; D138-A159 VanDerWaalsContact O-O 3.13Å; D138-T161 PolarHBondContact OD1-OG1 2.95Å; D138-T161 VanDerWaalsContact OD1-OG1 3.12Å; D138-T161 WeakPolarHBondContact OD2-CA 3.39Å; D138-G162 PolarHBondContact OD2-N 2.82Å
139W96.5Very high92.1Very high8 Ų858.3 Ų58.33%0.0333%0.331CS..EExtended strand (participates in β ladder)trans-125.3145.9-177.6-67.883000110.7F112 P114 Y134 L135 I156 S157 R158 I169 L201 L276F112-W139 HydrophobicContact CB-CB 4.11Å; F112-W139 HydrophobicContact CD1-CB 4.13Å; F112-W139 PolarHBondContact N-O 2.99Å; F112-W139 WeakPolarHBondContact O-CB 3.05Å; P114-W139 HydrophobicContact CG-CB 4.26Å; P114-W139 VanDerWaalsContact CG-CD1 3.46Å; P114-W139 HydrophobicContact CG-CD2 3.85Å; P114-W139 HydrophobicContact CG-CG 3.62Å; Y134-W139 HydrophobicContact CD1-CZ2 4.44Å; Y134-W139 AromaticContact CE1-CH2 3.98Å; Y134-W139 HydrophobicContact CE1-CH2 3.98Å; Y134-W139 HydrophobicContact CE1-CZ2 4.24Å; L135-W139 HydrophobicContact CD2-CH2 4.3Å; L135-W139 HydrophobicContact CD2-CZ2 3.74Å; L135-W139 PolarHBondContact O-NE1 2.87Å; W139-I156 HydrophobicContact CE3-CG2 3.55Å; W139-I156 HydrophobicContact CZ3-CG2 3.83Å; W139-S157 WeakPolarHBondContact CA-O 2.91Å; W139-R158 HydrophobicContact CD2-CB 4.17Å; W139-R158 HydrophobicContact CD2-CG 4.21Å; W139-R158 HydrophobicContact CE3-CB 3.88Å; W139-R158 HydrophobicContact CE3-CG 4.38Å; W139-R158 HydrophobicContact CH2-CB 3.97Å; W139-R158 HydrophobicContact CH2-CG 4.05Å; W139-R158 HydrophobicContact CZ2-CB 4.21Å; W139-R158 HydrophobicContact CZ2-CG 3.82Å; W139-R158 HydrophobicContact CZ3-CB 3.79Å; W139-R158 HydrophobicContact CZ3-CG 4.32Å; W139-I169 HydrophobicContact CH2-CG1 4.14Å; W139-I169 HydrophobicContact CH2-CG2 4.39Å; W139-I169 HydrophobicContact CZ3-CB 4.09Å; W139-I169 HydrophobicContact CZ3-CG1 3.77Å; W139-I169 HydrophobicContact CZ3-CG2 4.27Å; W139-L201 HydrophobicContact CH2-CD1 4.39Å; W139-L276 HydrophobicContact CD2-CD2 4.42Å; W139-L276 HydrophobicContact CE3-CD1 4.48Å; W139-L276 HydrophobicContact CE3-CD2 3.97Å; W139-L276 HydrophobicContact CH2-CD1 3.9Å; W139-L276 HydrophobicContact CH2-CD2 4.03Å; W139-L276 HydrophobicContact CZ3-CD1 3.59Å; W139-L276 HydrophobicContact CZ3-CD2 3.75Å; W139-L276 HydrophobicContact CZ3-CG 4.35Å
140F96.6Very high92.9Very high24 Ų2459.2 Ų59.211%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-138.4132.1-178.2-56.9-89.2000110.9F33 I109 N110 D138 S157 A159 H166F33-F140 HydrophobicContact CE2-CD1 4.13Å; F33-F140 AromaticContact CE2-CE1 3.9Å; F33-F140 HydrophobicContact CE2-CE1 3.9Å; I109-F140 HydrophobicContact CG2-CB 4.18Å; I109-F140 HydrophobicContact CG2-CD1 4.3Å; N110-F140 CarbonylContact O-C 3.57Å; N110-F140 VanDerWaalsContact O-CA 3.26Å; N110-F140 WeakPolarHBondContact O-CA 3.4Å; D138-F140 HydrophobicContact CB-CE2 3.94Å; D138-F140 HydrophobicContact CB-CZ 4.25Å; F140-S157 PolarHBondContact N-O 2.86Å; F140-S157 PolarHBondContact O-N 3.48Å; F140-S157 PolarHBondContact O-OG 2.76Å; F140-A159 HydrophobicContact CD2-CB 4.43Å; F140-A159 HydrophobicContact CE2-CB 3.95Å; F140-H166 AromaticContact CD2-CE1 3.17Å; F140-H166 WeakPolarHBondContact CD2-CE1 3.49Å; F140-H166 AromaticContact CD2-ND1 3.49Å; F140-H166 WeakPolarHBondContact CD2-ND1 3.34Å; F140-H166 AromaticContact CD2-NE2 3.96Å; F140-H166 AromaticContact CE2-CE1 3.4Å; F140-H166 VanDerWaalsContact CE2-CE1 3.4Å; F140-H166 WeakPolarHBondContact CE2-CE1 2.99Å; F140-H166 AromaticContact CE2-NE2 3.76Å; F140-H166 AromaticContact CG-CE1 3.66Å
141S97.3Very high93.4Very high33 Ų3353.4 Ų53.423%0.23129%0.29CS..EExtended strand (participates in β ladder)trans-95.8127.5167.752.80000109.2N110 T155 I156N110-S141 PolarHBondContact N-O 3.17Å; N110-S141 PolarHBondContact O-N 2.02Å; S141-T155 WeakPolarHBondContact CA-O 3.44Å; S141-I156 VanDerWaalsContact CB-CD1 3.47Å
142S97Very high94Very high6 Ų649.2 Ų49.24%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-124.5135179.7-540000110.2E108 F144 S154 T155E108-S142 CarbonylContact O-C 3.5Å; E108-S142 VanDerWaalsContact O-CA 3.25Å; E108-S142 WeakPolarHBondContact O-CA 3.37Å; S142-F144 VanDerWaalsContact CB-CE2 3.43Å; S142-F144 VanDerWaalsContact CB-CZ 3.48Å; S142-S154 CarbonylContact O-C 3.54Å; S142-S154 VanDerWaalsContact O-CA 3.29Å; S142-S154 WeakPolarHBondContact O-CA 3.34Å; S142-T155 PolarHBondContact N-O 2.6Å; S142-T155 PolarHBondContact O-N 2.87Å
143S97.3Very high94.5Very high54 Ų5447 Ų4738%0.37825%0.246SC..EExtended strand (participates in β ladder)trans-117.9133.7174.963.50000110.1C107 E108C107-S143 WeakPolarHBondContact CA-O 3.42Å; E108-S143 PolarHBondContact N-O 2.68Å; E108-S143 PolarHBondContact O-N 3.03Å
144F96.4Very high94.8Very high7 Ų742.4 Ų42.43%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-128.6132.4-175.1-51.2-90.7000109.4M29 L55 L90 L95 Q106 C107 S142 G152 V153 T155M29-F144 HydrophobicContact CE-CD1 3.54Å; M29-F144 HydrophobicContact CE-CE1 3.44Å; M29-F144 VanDerWaalsContact CE-CE1 3.44Å; M29-F144 HydrophobicContact CE-CZ 4.42Å; M29-F144 HydrophobicContact SD-CD1 4.19Å; L55-F144 HydrophobicContact CD1-CE1 3.73Å; L55-F144 HydrophobicContact CD1-CZ 4.01Å; L90-F144 HydrophobicContact CD1-CE2 4.25Å; L90-F144 HydrophobicContact CD1-CZ 4.15Å; L90-F144 HydrophobicContact CD2-CD1 4.26Å; L90-F144 HydrophobicContact CD2-CD2 3.47Å; L90-F144 VanDerWaalsContact CD2-CD2 3.47Å; L90-F144 HydrophobicContact CD2-CE1 4.25Å; L90-F144 HydrophobicContact CD2-CE2 3.47Å; L90-F144 VanDerWaalsContact CD2-CE2 3.47Å; L90-F144 HydrophobicContact CD2-CG 3.89Å; L90-F144 HydrophobicContact CD2-CZ 3.88Å; L95-F144 HydrophobicContact CD2-CB 4.04Å; Q106-F144 WeakPolarHBondContact O-CA 3.39Å; C107-F144 HydrophobicContact CB-CD1 4.11Å; C107-F144 WeakPolarHBondContact SG-CD1 3.26Å; C107-F144 WeakPolarHBondContact SG-CE1 3.43Å; S142-F144 VanDerWaalsContact CB-CE2 3.43Å; S142-F144 VanDerWaalsContact CB-CZ 3.48Å; F144-G152 CarbonylContact O-C 3.52Å; F144-G152 WeakPolarHBondContact O-CA 3.28Å; F144-V153 HydrophobicContact CB-CB 4.19Å; F144-V153 HydrophobicContact CD2-CB 4.11Å; F144-V153 HydrophobicContact CD2-CG1 4.36Å; F144-V153 PolarHBondContact N-O 2.83Å; F144-V153 PolarHBondContact O-N 2.8Å; F144-T155 HydrophobicContact CE2-CG2 4.18Å
145Q96Very high95.1Very high68 Ų6839.9 Ų39.932%0.31821%0.209SC..EExtended strand (participates in β ladder)trans-122.7113.7171.8-161.3179.532.200109.3P105 Q106P105-Q145 CarbonylContact C-O 3.49Å; P105-Q145 VanDerWaalsContact CA-O 3.31Å; P105-Q145 WeakPolarHBondContact CA-O 3.48Å; P105-Q145 VanDerWaalsContact CB-O 3.25Å; P105-Q145 WeakPolarHBondContact CB-O 3.42Å; Q106-Q145 HydrophobicContact CB-CB 4.04Å; Q106-Q145 PolarHBondContact N-O 2.8Å; Q106-Q145 PolarHBondContact O-N 2.95Å
146G93.4Very high95.4Very high4 Ų439 Ų394%0.04121%0.205CC..  trans-65.5157.5175.900000112.6S94 Q149 I151S94-G146 WeakPolarHBondContact O-CA 3.3Å; G146-Q149 PolarHBondContact O-N 2.94Å; G146-I151 PolarHBondContact N-O 2.82Å
147L92.4Very high95.6Very high33 Ų3332 Ų3217%0.17317%0.172CC..G310 helixtrans-53.3144.7175.9-67.1-176.9000112.1S94 P97 Q103 K104 Q149 Q150S94-L147 PolarHBondContact O-N 2.9Å; P97-L147 HydrophobicContact CB-CD1 3.83Å; P97-L147 HydrophobicContact CG-CD1 4.47Å; Q103-L147 HydrophobicContact CB-CD2 3.89Å; K104-L147 WeakPolarHBondContact O-CD2 3.22Å; L147-Q149 PolarHBondContact O-N 3.24Å; L147-Q149 VanDerWaalsContact O-N 3.1Å; L147-Q150 WeakPolarHBondContact O-CG 3.37Å; L147-Q150 PolarHBondContact O-N 2.83Å
148N90.2Very high95.7Very high128 Ų12833.4 Ų33.468%0.68417%0.174SC*.G310 helixtrans52.827.4-178.1-55.4-36.4000114.4Q150N148-Q150 HydrophobicContact CB-CG 4.35Å; N148-Q150 PolarHBondContact O-N 2.9Å; N148-Q150 VanDerWaalsContact O-N 3.16Å
149Q90.6Very high95.7Very high97 Ų9730.5 Ų30.545%0.45316%0.158SC..G310 helixtrans58.724.1-179.5-55.5179.8-13.700113.7G146 L147 I151 M177G146-Q149 PolarHBondContact O-N 2.94Å; L147-Q149 PolarHBondContact O-N 3.24Å; L147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-I151 VanDerWaalsContact C-N 3.29Å; Q149-I151 PolarHBondContact O-N 2.87Å; Q149-M177 HydrophobicContact CB-CB 4.03Å; Q149-M177 WeakPolarHBondContact O-CB 3.38Å
150Q91.6Very high95.5Very high107 Ų10732.8 Ų32.850%0.517%0.174SC..SBendtrans-68.8-24.9-177.2-72-175.6-26.900114.3L147 N148L147-Q150 WeakPolarHBondContact O-CG 3.37Å; L147-Q150 PolarHBondContact O-N 2.83Å; N148-Q150 HydrophobicContact CB-CG 4.35Å; N148-Q150 PolarHBondContact O-N 2.9Å; N148-Q150 VanDerWaalsContact O-N 3.16Å
151I95.3Very high94.9Very high7 Ų736.5 Ų36.54%0.03620%0.199CC..  trans-151.8143.6174-158.3173000109.6H92 S94 L95 G146 Q149 V153 S174 R175H92-I151 HydrophobicContact CB-CD1 4.09Å; H92-I151 HydrophobicContact CB-CG2 4.46Å; S94-I151 VanDerWaalsContact OG-CG2 3.29Å; S94-I151 WeakPolarHBondContact OG-CG2 3.25Å; L95-I151 HydrophobicContact CD1-CG2 4.33Å; L95-I151 HydrophobicContact CG-CG2 4.17Å; G146-I151 PolarHBondContact N-O 2.82Å; Q149-I151 VanDerWaalsContact C-N 3.29Å; Q149-I151 PolarHBondContact O-N 2.87Å; I151-V153 HydrophobicContact CD1-CG2 3.91Å; I151-V153 HydrophobicContact CG1-CG2 4.03Å; I151-V153 HydrophobicContact CG2-CG2 4.42Å; I151-S174 CarbonylContact C-O 3.53Å; I151-S174 VanDerWaalsContact CA-O 3.27Å; I151-S174 WeakPolarHBondContact CA-O 3.47Å; I151-S174 WeakPolarHBondContact CG1-O 3.46Å; I151-R175 HydrophobicContact CG1-CG 4.41Å
152G97.3Very high94.2Very high1 Ų138.4 Ų38.41%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-113.3137.9157.200000109F144 T173 S174 M177F144-G152 CarbonylContact O-C 3.52Å; F144-G152 WeakPolarHBondContact O-CA 3.28Å; G152-T173 CarbonylContact O-C 3.48Å; G152-T173 WeakPolarHBondContact O-CA 3.33Å; G152-S174 PolarHBondContact N-O 2.85Å; G152-S174 PolarHBondContact O-N 2.86Å; G152-M177 WeakPolarHBondContact CA-SD 3.46Å; G152-M177 VanDerWaalsContact N-CG 3.34Å; G152-M177 PolarHBondContact N-SD 2.72Å; G152-M177 VanDerWaalsContact N-SD 3.42Å
153V97.7Very high93.9Very high1 Ų141 Ų411%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-127.7139.2174-171.70000108L90 L95 F144 I151 T155 I172 T173L90-V153 HydrophobicContact CD2-CB 4.08Å; L90-V153 HydrophobicContact CD2-CG1 3.69Å; L95-V153 HydrophobicContact CD1-CG2 4.14Å; F144-V153 HydrophobicContact CB-CB 4.19Å; F144-V153 HydrophobicContact CD2-CB 4.11Å; F144-V153 HydrophobicContact CD2-CG1 4.36Å; F144-V153 PolarHBondContact N-O 2.83Å; F144-V153 PolarHBondContact O-N 2.8Å; I151-V153 HydrophobicContact CD1-CG2 3.91Å; I151-V153 HydrophobicContact CG1-CG2 4.03Å; I151-V153 HydrophobicContact CG2-CG2 4.42Å; V153-T155 HydrophobicContact CG1-CG2 3.97Å; V153-I172 CarbonylContact C-O 3.54Å; V153-I172 VanDerWaalsContact CA-O 3.26Å; V153-I172 WeakPolarHBondContact CA-O 3.28Å; V153-T173 HydrophobicContact CG1-CG2 4.04Å; V153-T173 HydrophobicContact CG2-CG2 4.04Å
154S98.1Very high93.6Very high13 Ų1342.5 Ų42.59%0.09124%0.239CC..EExtended strand (participates in β ladder)trans-134.9123.6172.5-69.30000109.4S142 I172 Q279S142-S154 CarbonylContact O-C 3.54Å; S142-S154 VanDerWaalsContact O-CA 3.29Å; S142-S154 WeakPolarHBondContact O-CA 3.34Å; S154-I172 PolarHBondContact N-O 3.49Å; S154-I172 PolarHBondContact O-N 3.27Å; S154-Q279 VanDerWaalsContact CB-O 3.28Å; S154-Q279 WeakPolarHBondContact CB-O 3.45Å; S154-Q279 PolarHBondContact OG-O 2.82Å
155T98.2Very high93.4Very high3 Ų346.8 Ų46.82%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-120.6145-174.566.30000111.7L90 S141 S142 F144 V153 V168 L170L90-T155 HydrophobicContact CD1-CG2 4.41Å; L90-T155 HydrophobicContact CD2-CG2 4.35Å; S141-T155 WeakPolarHBondContact CA-O 3.44Å; S142-T155 PolarHBondContact N-O 2.6Å; S142-T155 PolarHBondContact O-N 2.87Å; F144-T155 HydrophobicContact CE2-CG2 4.18Å; V153-T155 HydrophobicContact CG1-CG2 3.97Å; T155-V168 HydrophobicContact CG2-CG1 4.02Å; T155-V168 HydrophobicContact CG2-CG2 4.41Å; T155-L170 CarbonylContact C-O 3.52Å; T155-L170 WeakPolarHBondContact CA-O 3.29Å
156I98.2Very high93.4Very high2 Ų243.7 Ų43.71%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-103.7123.2157.2-61-52.8000107.2F112 W139 S141 I169 L170 L276 L277 A278F112-I156 HydrophobicContact CD1-CD1 4.43Å; F112-I156 HydrophobicContact CD1-CG2 4.3Å; F112-I156 HydrophobicContact CD2-CD1 3.76Å; F112-I156 HydrophobicContact CE2-CD1 3.96Å; F112-I156 HydrophobicContact CG-CD1 4.02Å; F112-I156 HydrophobicContact CZ-CD1 4.39Å; W139-I156 HydrophobicContact CE3-CG2 3.55Å; W139-I156 HydrophobicContact CZ3-CG2 3.83Å; S141-I156 VanDerWaalsContact CB-CD1 3.47Å; I156-I169 PolarHBondContact O-N 3.36Å; I156-L170 HydrophobicContact CB-CB 4.29Å; I156-L170 HydrophobicContact CG1-CD2 4.47Å; I156-L170 PolarHBondContact N-O 3.32Å; I156-L170 PolarHBondContact O-N 2.98Å; I156-L276 HydrophobicContact CG2-CD1 4.13Å; I156-L276 HydrophobicContact CG2-CD2 4.23Å; I156-L277 VanDerWaalsContact CD1-O 3.29Å; I156-L277 WeakPolarHBondContact CD1-O 3.23Å; I156-L277 VanDerWaalsContact CG1-O 3.29Å; I156-L277 WeakPolarHBondContact CG1-O 3.44Å; I156-A278 HydrophobicContact CG1-CB 4.16Å
157S97.3Very high93.5Very high0 Ų044.9 Ų44.90%025%0.25CS..EExtended strand (participates in β ladder)trans-119.8148.2179.665.70000111.4W139 F140 H166 D167W139-S157 WeakPolarHBondContact CA-O 2.91Å; F140-S157 PolarHBondContact N-O 2.86Å; F140-S157 PolarHBondContact O-N 3.48Å; F140-S157 PolarHBondContact O-OG 2.76Å; S157-H166 PolarHBondContact OG-ND1 2.67Å; S157-D167 CarbonylContact C-O 3.6Å; S157-D167 WeakPolarHBondContact CA-O 3.36Å; S157-D167 WeakPolarHBondContact CB-O 3.4Å
158R96.8Very high93.8Very high45 Ų4543.3 Ų43.317%0.1724%0.242CC..EExtended strand (participates in β ladder)trans-115.5126.1-178.6-176.2-176.5177.7-77.3-3.6108.9Y134 A137 W139 D167 I169Y134-R158 PolarHBondContact O-NE 2.96Å; Y134-R158 PolarHBondContact O-NH2 2.89Å; A137-R158 HydrophobicContact CB-CG 3.65Å; W139-R158 HydrophobicContact CD2-CB 4.17Å; W139-R158 HydrophobicContact CD2-CG 4.21Å; W139-R158 HydrophobicContact CE3-CB 3.88Å; W139-R158 HydrophobicContact CE3-CG 4.38Å; W139-R158 HydrophobicContact CH2-CB 3.97Å; W139-R158 HydrophobicContact CH2-CG 4.05Å; W139-R158 HydrophobicContact CZ2-CB 4.21Å; W139-R158 HydrophobicContact CZ2-CG 3.82Å; W139-R158 HydrophobicContact CZ3-CB 3.79Å; W139-R158 HydrophobicContact CZ3-CG 4.32Å; R158-D167 PolarHBondContact N-O 2.9Å; R158-D167 PolarHBondContact O-N 3.11Å; R158-I169 HydrophobicContact CB-CD1 4Å; R158-I169 HydrophobicContact CB-CG1 3.6Å
159A95.3Very high94.1Very high0 Ų037.3 Ų37.30%021%0.21CC..EExtended strand (participates in β ladder)trans-115.1125.9172.600000109.3D138 F140 T161D138-A159 HydrophobicContact CB-CB 4.44Å; D138-A159 PolarHBondContact N-O 2.81Å; D138-A159 PolarHBondContact O-N 2.84Å; D138-A159 VanDerWaalsContact O-O 3.13Å; F140-A159 HydrophobicContact CD2-CB 4.43Å; F140-A159 HydrophobicContact CE2-CB 3.95Å; A159-T161 PolarHBondContact O-N 3.37Å
160P91.9Very high94.5Very high56 Ų5632.7 Ų32.736%0.36419%0.189SC..  trans-53134.5166.8-24.133.1000110.4G162 T163P160-G162 PolarHBondContact O-N 2.84Å; P160-T163 HydrophobicContact CB-CG2 3.98Å; P160-T163 WeakPolarHBondContact CD-OG1 3.36Å; P160-T163 WeakPolarHBondContact O-CB 3.35Å; P160-T163 WeakPolarHBondContact O-CG2 3.37Å; P160-T163 PolarHBondContact O-N 2.96Å; P160-T163 PolarHBondContact O-OG1 2.54Å
161T85.8Confident94.7Very high102 Ų10227.6 Ų27.663%0.62617%0.165SC*.THydrogen-bonded Turntrans-55.8127.9-167.5-62.20000112.9D138 A159 T163D138-T161 PolarHBondContact OD1-OG1 2.95Å; D138-T161 VanDerWaalsContact OD1-OG1 3.12Å; D138-T161 WeakPolarHBondContact OD2-CA 3.39Å; A159-T161 PolarHBondContact O-N 3.37Å; T161-T163 VanDerWaalsContact C-N 3.33Å
162G81.4Confident94.9Very high73 Ų7327.3 Ų27.375%0.75316%0.163SC*.THydrogen-bonded Turntrans79.46.1-17700000115.6D138 P160D138-G162 PolarHBondContact OD2-N 2.82Å; P160-G162 PolarHBondContact O-N 2.84Å
163T90.3Very high94.9Very high60 Ų6027.6 Ų27.637%0.36817%0.165SC..  trans-97.2160.9170.7710000111.7P160 T161P160-T163 HydrophobicContact CB-CG2 3.98Å; P160-T163 WeakPolarHBondContact CD-OG1 3.36Å; P160-T163 WeakPolarHBondContact O-CB 3.35Å; P160-T163 WeakPolarHBondContact O-CG2 3.37Å; P160-T163 PolarHBondContact O-N 2.96Å; P160-T163 PolarHBondContact O-OG1 2.54Å; T161-T163 VanDerWaalsContact C-N 3.33Å
164K90.6Very high94.9Very high86 Ų8627.6 Ų27.637%0.37417%0.165SC..SBendtrans-1067.7173.7-65.1172.8179.1178.80112.3P77 V80 Y81 V82P77-K164 PolarHBondContact O-NZ 3.07Å; V80-K164 WeakPolarHBondContact O-CD 3.41Å; Y81-K164 WeakPolarHBondContact CA-O 3.33Å; Y81-K164 HydrophobicContact CD1-CB 4.36Å; V82-K164 PolarHBondContact N-O 3.08Å
165E93.6Very high94.8Very high97 Ų9734.3 Ų34.345%0.45319%0.188SC..EExtended strand (participates in β ladder)trans-97.3117.5176.2-69.3-169.5-131.900108.7R58 V82R58-E165 IonicContact CZ-OE2 2.66Å; R58-E165 IonicContact NH1-OE2 3.99Å; R58-E165 IonicContact NH2-OE2 3.37Å; R58-E165 PolarHBondContact NH2-OE2 3.16Å; V82-E165 HydrophobicContact CB-CG 4.38Å; V82-E165 WeakPolarHBondContact O-CA 3.41Å
166H95.3Very high94.7Very high2 Ų236 Ų361%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-110.5133.2-179.5-61.5-154.5000108.3Y81 V82 I83 T84 F140 S157Y81-H166 AromaticContact CD1-CE1 3.82Å; Y81-H166 AromaticContact CD1-NE2 3.2Å; Y81-H166 WeakPolarHBondContact CD1-NE2 3.39Å; Y81-H166 AromaticContact CE1-NE2 3.76Å; Y81-H166 AromaticContact CG-NE2 3.78Å; V82-H166 PolarHBondContact O-N 2.66Å; I83-H166 WeakPolarHBondContact CA-O 3.36Å; I83-H166 HydrophobicContact CD1-CB 3.59Å; T84-H166 PolarHBondContact N-O 2.83Å; F140-H166 AromaticContact CD2-CE1 3.17Å; F140-H166 WeakPolarHBondContact CD2-CE1 3.49Å; F140-H166 AromaticContact CD2-ND1 3.49Å; F140-H166 WeakPolarHBondContact CD2-ND1 3.34Å; F140-H166 AromaticContact CD2-NE2 3.96Å; F140-H166 AromaticContact CE2-CE1 3.4Å; F140-H166 VanDerWaalsContact CE2-CE1 3.4Å; F140-H166 WeakPolarHBondContact CE2-CE1 2.99Å; F140-H166 AromaticContact CE2-NE2 3.76Å; F140-H166 AromaticContact CG-CE1 3.66Å; S157-H166 PolarHBondContact OG-ND1 2.67Å
167D96.3Very high94.6Very high29 Ų2936.8 Ų36.816%0.15520%0.202CC..EExtended strand (participates in β ladder)trans-102.4128169.9-62.6-40.7000108.9K61 T84 S157 R158 I169K61-D167 WeakPolarHBondContact CE-OD1 3.41Å; K61-D167 WeakPolarHBondContact CE-OD2 3.24Å; K61-D167 IonicContact NZ-OD1 2.73Å; K61-D167 PolarHBondContact NZ-OD1 3.29Å; K61-D167 VanDerWaalsContact NZ-OD1 3.11Å; K61-D167 IonicContact NZ-OD2 3.81Å; K61-D167 PolarHBondContact NZ-OD2 3.33Å; T84-D167 WeakPolarHBondContact CB-OD1 3.45Å; T84-D167 PolarHBondContact OG1-OD1 3.21Å; S157-D167 CarbonylContact C-O 3.6Å; S157-D167 WeakPolarHBondContact CA-O 3.36Å; S157-D167 WeakPolarHBondContact CB-O 3.4Å; R158-D167 PolarHBondContact N-O 2.9Å; R158-D167 PolarHBondContact O-N 3.11Å; D167-I169 HydrophobicContact CB-CD1 4.26Å; D167-I169 PolarHBondContact O-N 3.38Å
168V97.3Very high94.5Very high1 Ų139.5 Ų39.51%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-70.9122.9174.3174.90000108.8I83 T84 D85 L90 T155 W194I83-V168 HydrophobicContact CG2-CG2 3.66Å; T84-V168 WeakPolarHBondContact O-CG2 3.26Å; T84-V168 PolarHBondContact O-N 3.43Å; D85-V168 HydrophobicContact CB-CG2 4.07Å; L90-V168 HydrophobicContact CD1-CG2 4.46Å; T155-V168 HydrophobicContact CG2-CG1 4.02Å; T155-V168 HydrophobicContact CG2-CG2 4.41Å; V168-W194 HydrophobicContact CG1-CZ3 4.26Å; V168-W194 WeakPolarHBondContact O-CZ3 3.11Å
169I97.5Very high94.4Very high2 Ų238.1 Ų38.11%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-103.1-38.2-177.2-55-49000111.4Y134 W139 I156 R158 D167 V195 D196 T199 L201 L276Y134-I169 WeakPolarHBondContact OH-CD1 3.33Å; W139-I169 HydrophobicContact CH2-CG1 4.14Å; W139-I169 HydrophobicContact CH2-CG2 4.39Å; W139-I169 HydrophobicContact CZ3-CB 4.09Å; W139-I169 HydrophobicContact CZ3-CG1 3.77Å; W139-I169 HydrophobicContact CZ3-CG2 4.27Å; I156-I169 PolarHBondContact O-N 3.36Å; R158-I169 HydrophobicContact CB-CD1 4Å; R158-I169 HydrophobicContact CB-CG1 3.6Å; D167-I169 HydrophobicContact CB-CD1 4.26Å; D167-I169 PolarHBondContact O-N 3.38Å; I169-V195 WeakPolarHBondContact O-CA 3.26Å; I169-D196 PolarHBondContact O-N 2.7Å; I169-T199 HydrophobicContact CD1-CG2 4.15Å; I169-T199 HydrophobicContact CG2-CG2 4.24Å; I169-L201 HydrophobicContact CG2-CD1 4.3Å; I169-L276 HydrophobicContact CG2-CD1 4.04Å
170L97.9Very high94.5Very high0 Ų044.6 Ų44.60%025%0.248CC..EExtended strand (participates in β ladder)trans-132133.3173.2170.364.9000107.7T155 I156 I172 F193 W194 V195 I271 L273 A278T155-L170 CarbonylContact C-O 3.52Å; T155-L170 WeakPolarHBondContact CA-O 3.29Å; I156-L170 HydrophobicContact CB-CB 4.29Å; I156-L170 HydrophobicContact CG1-CD2 4.47Å; I156-L170 PolarHBondContact N-O 3.32Å; I156-L170 PolarHBondContact O-N 2.98Å; L170-I172 HydrophobicContact CD1-CG1 4.45Å; L170-F193 HydrophobicContact CD1-CB 4.42Å; L170-F193 HydrophobicContact CD1-CD2 4.28Å; L170-W194 WeakPolarHBondContact CA-O 3.45Å; L170-V195 HydrophobicContact CD1-CG2 4.17Å; L170-I271 HydrophobicContact CD1-CG2 4.28Å; L170-L273 HydrophobicContact CB-CD1 3.99Å; L170-L273 HydrophobicContact CD1-CD1 4.13Å; L170-L273 HydrophobicContact CD2-CD1 4.21Å; L170-L273 HydrophobicContact CD2-CG 4.37Å; L170-L273 HydrophobicContact CG-CD1 4.33Å; L170-A278 HydrophobicContact CD2-CB 3.88Å; L170-A278 HydrophobicContact CG-CB 4.32Å
171S97.6Very high94.7Very high0 Ų042.6 Ų42.60%024%0.235CC..EExtended strand (participates in β ladder)trans-130.3129.5173-172.10000108.8F193 W194S171-F193 CarbonylContact O-C 3.58Å; S171-F193 WeakPolarHBondContact O-CA 3.3Å; S171-F193 WeakPolarHBondContact O-CB 3.5Å; S171-W194 PolarHBondContact N-O 3.29Å; S171-W194 PolarHBondContact O-N 3.17Å
172I98.3Very high95.2Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-114.4136.1171.3-55.2173.9000107.5V153 S154 L170 F193 I271 A278 V280V153-I172 CarbonylContact C-O 3.54Å; V153-I172 VanDerWaalsContact CA-O 3.26Å; V153-I172 WeakPolarHBondContact CA-O 3.28Å; S154-I172 PolarHBondContact N-O 3.49Å; S154-I172 PolarHBondContact O-N 3.27Å; L170-I172 HydrophobicContact CD1-CG1 4.45Å; I172-F193 HydrophobicContact CG1-CB 4.09Å; I172-I271 HydrophobicContact CD1-CB 3.68Å; I172-I271 HydrophobicContact CD1-CG1 3.61Å; I172-I271 HydrophobicContact CG1-CB 4.14Å; I172-I271 HydrophobicContact CG1-CG1 3.91Å; I172-A278 HydrophobicContact CD1-CB 3.4Å; I172-A278 VanDerWaalsContact CD1-CB 3.4Å; I172-A278 WeakPolarHBondContact CD1-O 3.38Å; I172-A278 HydrophobicContact CG1-CB 3.95Å; I172-V280 HydrophobicContact CG2-CB 4.36Å; I172-V280 HydrophobicContact CG2-CG1 3.75Å
173T97.8Very high95.9Very high8 Ų842.1 Ų42.15%0.04920%0.203CC..EExtended strand (participates in β ladder)trans-127.8145.6179.655.70000111.3N89 G152 V153 C191 S192N89-T173 HydrophobicContact CB-CG2 3.61Å; G152-T173 CarbonylContact O-C 3.48Å; G152-T173 WeakPolarHBondContact O-CA 3.33Å; V153-T173 HydrophobicContact CG1-CG2 4.04Å; V153-T173 HydrophobicContact CG2-CG2 4.04Å; T173-C191 WeakPolarHBondContact O-CA 3.24Å; T173-S192 PolarHBondContact N-O 3.17Å; T173-S192 PolarHBondContact O-N 2.8Å; T173-S192 PolarHBondContact OG1-O 3.42Å
174S97.8Very high96.1Very high0 Ų041.4 Ų41.40%021%0.207CC..EExtended strand (participates in β ladder)trans-140130.9168.1-178.70000110.3I151 G152 T176 D190 M282I151-S174 CarbonylContact C-O 3.53Å; I151-S174 VanDerWaalsContact CA-O 3.27Å; I151-S174 WeakPolarHBondContact CA-O 3.47Å; I151-S174 WeakPolarHBondContact CG1-O 3.46Å; G152-S174 PolarHBondContact N-O 2.85Å; G152-S174 PolarHBondContact O-N 2.86Å; S174-T176 PolarHBondContact OG-N 3.03Å; S174-D190 WeakPolarHBondContact CA-O 3.45Å; S174-D190 WeakPolarHBondContact CB-O 3.41Å; S174-D190 PolarHBondContact OG-O 2.96Å; S174-M282 WeakPolarHBondContact OG-CE 3.4Å; S174-M282 PolarHBondContact OG-SD 2.86Å; S174-M282 VanDerWaalsContact OG-SD 3.39Å
175R95.9Very high96.4Very high154 Ų15441.6 Ų41.658%0.58121%0.209SC*.SBendtrans-940.6170.8-70169.8-78.6-142.5-4.4113.3I151 D190I151-R175 HydrophobicContact CG1-CG 4.41Å; R175-D190 WeakPolarHBondContact CB-OD2 3.46Å; R175-D190 PolarHBondContact N-OD2 2.93Å; R175-D190 IonicContact NE-OD2 3.87Å; R175-D190 PolarHBondContact NE-OD2 3.33Å; R175-D190 IonicContact NH2-OD1 2.72Å; R175-D190 IonicContact NH2-OD2 3.76Å
176T95.3Very high96.5Very high39 Ų3941.4 Ų41.424%0.23922%0.217CC..  trans-120.449.9-177.657.50000111.9S174 S178 D190 M282S174-T176 PolarHBondContact OG-N 3.03Å; T176-S178 PolarHBondContact O-N 2.66Å; T176-S178 VanDerWaalsContact O-N 3.16Å; T176-D190 HydrophobicContact CG2-CB 3.91Å; T176-D190 WeakPolarHBondContact OG1-CB 3.45Å; T176-D190 PolarHBondContact OG1-N 3.04Å; T176-M282 WeakPolarHBondContact O-CE 3.08Å; T176-M282 WeakPolarHBondContact OG1-CE 3.42Å
177M95.9Very high96.6Very high19 Ų1941.8 Ų41.89%0.09422%0.219CC..SBendtrans-59.2-26179.5-64-58.9-69.900113.8Q149 G152 V280 A281 M282 E283Q149-M177 HydrophobicContact CB-CB 4.03Å; Q149-M177 WeakPolarHBondContact O-CB 3.38Å; G152-M177 WeakPolarHBondContact CA-SD 3.46Å; G152-M177 VanDerWaalsContact N-CG 3.34Å; G152-M177 PolarHBondContact N-SD 2.72Å; G152-M177 VanDerWaalsContact N-SD 3.42Å; M177-V280 HydrophobicContact CE-CG2 4.09Å; M177-V280 HydrophobicContact SD-CG2 3.77Å; M177-A281 WeakPolarHBondContact CE-O 3.32Å; M177-M282 WeakPolarHBondContact O-CA 3.3Å; M177-M282 HydrophobicContact SD-CG 4.22Å; M177-E283 PolarHBondContact O-N 2.88Å
178S95.7Very high96.7Very high56 Ų5644.2 Ų44.239%0.39224%0.235SC..EExtended strand (participates in β ladder)trans-137127164.3-1780000109.3T176 E283T176-S178 PolarHBondContact O-N 2.66Å; T176-S178 VanDerWaalsContact O-N 3.16Å; S178-E283 CarbonylContact C-O 3.58Å; S178-E283 WeakPolarHBondContact CA-O 3.15Å
179A95.6Very high96.7Very high17 Ų1744.2 Ų44.214%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-121.9145.4179.400000110.5L189 E283 L284 E285A179-L189 HydrophobicContact CB-CD2 3.86Å; A179-E283 PolarHBondContact N-O 2.89Å; A179-L284 HydrophobicContact CB-CD1 3.99Å; A179-E285 PolarHBondContact O-N 2.98Å
180K95.8Very high96.7Very high136 Ų13645.2 Ų45.259%0.59124%0.241SC*.EExtended strand (participates in β ladder)trans-128.4140.2172.8-57.1-165.3-178.7-140.70109.7E285 V287K180-E285 WeakPolarHBondContact CA-O 3.17Å; K180-E285 VanDerWaalsContact CE-OE2 3.23Å; K180-E285 WeakPolarHBondContact CE-OE2 3.19Å; K180-E285 HydrophobicContact CG-CB 4.44Å; K180-E285 IonicContact NZ-OE2 2.68Å; K180-E285 PolarHBondContact NZ-OE2 2.82Å; K180-V287 HydrophobicContact CD-CG2 4.23Å
181S97.1Very high96.7Very high13 Ų1345.2 Ų45.29%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-147155.7-179.7178.80000111V187 E285 I286 V287S181-V187 VanDerWaalsContact OG-CG2 3.25Å; S181-V187 WeakPolarHBondContact OG-CG2 3.31Å; S181-E285 PolarHBondContact N-O 3.18Å; S181-I286 CarbonylContact O-C 3.52Å; S181-I286 WeakPolarHBondContact O-CA 3.27Å; S181-V287 PolarHBondContact O-N 3.25Å
182R95.9Very high96.8Very high107 Ų10746.2 Ų46.240%0.40425%0.247SC..  trans-84.5168.6174.2-65179.6163.8-122.2-8.3111.7G184 E185 A259 E288R182-G184 PolarHBondContact O-N 3Å; R182-E185 HydrophobicContact CB-CG 4.07Å; R182-E185 WeakPolarHBondContact CB-OE2 3.42Å; R182-E185 WeakPolarHBondContact CD-OE1 3.47Å; R182-E185 PolarHBondContact N-OE2 3.37Å; R182-E185 PolarHBondContact O-N 2.92Å; R182-A259 WeakPolarHBondContact O-CB 3.37Å; R182-E288 WeakPolarHBondContact CB-OE2 3.41Å
183L95.7Very high96.7Very high59 Ų5947.1 Ų47.131%0.30925%0.251SS..THydrogen-bonded Turntrans-66.7127.3176.9-164.372.4000110.7E185 V261 I286 E288 T353L183-E185 VanDerWaalsContact C-N 3.33Å; L183-E185 PolarHBondContact O-N 2.98Å; L183-V261 HydrophobicContact CD1-CG2 3.79Å; L183-I286 HydrophobicContact CD1-CG2 4.29Å; L183-E288 HydrophobicContact CB-CB 4.33Å; L183-E288 HydrophobicContact CB-CG 4.28Å; L183-E288 PolarHBondContact N-OE2 2.8Å; L183-T353 HydrophobicContact CD2-CG2 3.91Å
184G95.4Very high96.7Very high44 Ų4449.7 Ų49.745%0.45426%0.26SS..THydrogen-bonded Turntrans81.9-3.3179.100000115.8R182 A259R182-G184 PolarHBondContact O-N 3Å; G184-A259 PolarHBondContact N-O 2.77Å
185E96.5Very high96.7Very high90 Ų9050.9 Ų50.942%0.42127%0.268SS..  trans-77.9149172.8-75179.1169.200111.3R182 L183 A259R182-E185 HydrophobicContact CB-CG 4.07Å; R182-E185 WeakPolarHBondContact CB-OE2 3.42Å; R182-E185 WeakPolarHBondContact CD-OE1 3.47Å; R182-E185 PolarHBondContact N-OE2 3.37Å; R182-E185 PolarHBondContact O-N 2.92Å; L183-E185 VanDerWaalsContact C-N 3.33Å; L183-E185 PolarHBondContact O-N 2.98Å; E185-A259 WeakPolarHBondContact O-CB 3.33Å; E185-A259 PolarHBondContact O-N 3.01Å
186P96.8Very high96.7Very high94 Ų9444.5 Ų44.561%0.6125%0.245SC*.  trans-70.7148171.229.7-34.5000111.1L256 E257P186-L256 CarbonylContact C-O 3.49Å; P186-L256 VanDerWaalsContact CA-O 3.27Å; P186-L256 WeakPolarHBondContact CA-O 3.26Å; P186-E257 WeakPolarHBondContact CA-O 3.39Å
187V96.6Very high96.6Very high9 Ų947.4 Ų47.46%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-130.2127.8-179.2-175.50000110.1S181 L189 V255 L256 A259 L284S181-V187 VanDerWaalsContact OG-CG2 3.25Å; S181-V187 WeakPolarHBondContact OG-CG2 3.31Å; V187-L189 HydrophobicContact CG1-CD2 4.06Å; V187-L189 HydrophobicContact CG1-CG 4.38Å; V187-V255 CarbonylContact O-C 3.6Å; V187-V255 WeakPolarHBondContact O-CA 3.25Å; V187-L256 HydrophobicContact CB-CB 4.33Å; V187-L256 PolarHBondContact N-O 2.83Å; V187-L256 PolarHBondContact O-N 2.97Å; V187-A259 HydrophobicContact CG2-CB 3.93Å; V187-L284 HydrophobicContact CG1-CD1 3.84Å; V187-L284 HydrophobicContact CG1-CD2 4.19Å
188T97.4Very high96.4Very high81 Ų8151.2 Ų51.250%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-107.9123168.9-52.80000109.7L254 V255T188-L254 CarbonylContact C-O 3.57Å; T188-L254 WeakPolarHBondContact CA-O 3.47Å; T188-V255 HydrophobicContact CG2-CG2 4.26Å
189L98.1Very high96.2Very high0 Ų048.8 Ų48.80%028%0.276CS..EExtended strand (participates in β ladder)trans-98.5104.8170.7-63.7-174.8000108.1A179 V187 C191 W210 S253 L254 Y267 M282A179-L189 HydrophobicContact CB-CD2 3.86Å; V187-L189 HydrophobicContact CG1-CD2 4.06Å; V187-L189 HydrophobicContact CG1-CG 4.38Å; L189-C191 PolarHBondContact O-N 3.07Å; L189-W210 HydrophobicContact CB-CH2 3.65Å; L189-W210 HydrophobicContact CB-CZ2 4.42Å; L189-W210 HydrophobicContact CB-CZ3 4.11Å; L189-W210 HydrophobicContact CD1-CZ3 4.14Å; L189-S253 CarbonylContact O-C 3.58Å; L189-S253 VanDerWaalsContact O-CA 3.22Å; L189-S253 WeakPolarHBondContact O-CA 3.42Å; L189-S253 WeakPolarHBondContact O-CB 3.24Å; L189-L254 HydrophobicContact CB-CB 4.43Å; L189-L254 HydrophobicContact CD1-CD2 4.48Å; L189-L254 PolarHBondContact N-O 3.12Å; L189-L254 PolarHBondContact O-N 3.44Å; L189-L254 VanDerWaalsContact O-N 3.1Å; L189-Y267 HydrophobicContact CD1-CD1 3.82Å; L189-Y267 HydrophobicContact CD1-CD2 3.78Å; L189-Y267 HydrophobicContact CD1-CE1 4.4Å; L189-Y267 HydrophobicContact CD1-CE2 4.37Å; L189-Y267 HydrophobicContact CD1-CG 3.48Å; L189-Y267 VanDerWaalsContact CD1-CG 3.48Å; L189-M282 HydrophobicContact CB-CE 3.6Å; L189-M282 HydrophobicContact CD2-CE 4.23Å; L189-M282 HydrophobicContact CG-CE 4.39Å
190D98.1Very high96Very high24 Ų2451.1 Ų51.113%0.12829%0.29CS..  trans-60119.3-179.1-177.859.2000110.6S174 R175 T176 S253 M282S174-D190 WeakPolarHBondContact CA-O 3.45Å; S174-D190 WeakPolarHBondContact CB-O 3.41Å; S174-D190 PolarHBondContact OG-O 2.96Å; R175-D190 WeakPolarHBondContact CB-OD2 3.46Å; R175-D190 PolarHBondContact N-OD2 2.93Å; R175-D190 IonicContact NE-OD2 3.87Å; R175-D190 PolarHBondContact NE-OD2 3.33Å; R175-D190 IonicContact NH2-OD1 2.72Å; R175-D190 IonicContact NH2-OD2 3.76Å; T176-D190 HydrophobicContact CG2-CB 3.91Å; T176-D190 WeakPolarHBondContact OG1-CB 3.45Å; T176-D190 PolarHBondContact OG1-N 3.04Å; D190-S253 WeakPolarHBondContact CA-OG 3.26Å; D190-M282 WeakPolarHBondContact O-CE 3.32Å
191C98.3Very high95.7Very high0 Ų044.8 Ų44.80%026%0.262CS..  trans-141.3115.6167.3-174.90000108.3T173 L189 W210 N251 A252 S253 C269T173-C191 WeakPolarHBondContact O-CA 3.24Å; L189-C191 PolarHBondContact O-N 3.07Å; C191-W210 HydrophobicContact CB-CH2 3.97Å; C191-W210 HydrophobicContact CB-CZ2 3.45Å; C191-W210 VanDerWaalsContact CB-CZ2 3.45Å; C191-N251 PolarHBondContact O-OD1 2.8Å; C191-A252 HydrophobicContact CB-CB 4.49Å; C191-A252 CarbonylContact O-C 3.53Å; C191-A252 VanDerWaalsContact O-C 3.25Å; C191-A252 WeakPolarHBondContact O-CA 3.44Å; C191-A252 PolarHBondContact O-N 3.46Å; C191-S253 PolarHBondContact N-OG 3.36Å; C191-S253 PolarHBondContact O-N 2.96Å; C191-S253 PolarHBondContact O-OG 2.8Å; C191-C269 HydrophobicContact CB-CB 3.73Å; C191-C269 WeakPolarHBondContact CB-SG 3.38Å; C191-C269 WeakPolarHBondContact SG-CB 3.44Å; C191-C269 CovalentContact SG-SG 2.04Å; C191-C269 PolarHBondContact SG-SG 3.37Å
192S97.9Very high95.3Very high20 Ų2046.1 Ų46.114%0.1427%0.271CS..EExtended strand (participates in β ladder)trans-127.3133178.7-65.20000109.6T173 G250T173-S192 PolarHBondContact N-O 3.17Å; T173-S192 PolarHBondContact O-N 2.8Å; T173-S192 PolarHBondContact OG1-O 3.42Å; S192-G250 CarbonylContact C-O 3.58Å; S192-G250 WeakPolarHBondContact CA-O 3.5Å
193F97.9Very high94.8Very high19 Ų1949.5 Ų49.58%0.08329%0.292CS..EExtended strand (participates in β ladder)trans-119.5155.117974.8-87000113.1L170 S171 I172 V195 F206 L246 G250 A252 I271L170-F193 HydrophobicContact CD1-CB 4.42Å; L170-F193 HydrophobicContact CD1-CD2 4.28Å; S171-F193 CarbonylContact O-C 3.58Å; S171-F193 WeakPolarHBondContact O-CA 3.3Å; S171-F193 WeakPolarHBondContact O-CB 3.5Å; I172-F193 HydrophobicContact CG1-CB 4.09Å; F193-V195 HydrophobicContact CD2-CG2 3.78Å; F193-V195 HydrophobicContact CE2-CG2 3.81Å; F193-F206 HydrophobicContact CE1-CD2 4.3Å; F193-F206 HydrophobicContact CE1-CE2 4.41Å; F193-F206 HydrophobicContact CE2-CG 4.33Å; F193-F206 HydrophobicContact CZ-CB 4.39Å; F193-F206 HydrophobicContact CZ-CD1 4.12Å; F193-F206 AromaticContact CZ-CD2 3.74Å; F193-F206 HydrophobicContact CZ-CD2 3.74Å; F193-F206 HydrophobicContact CZ-CE1 4.38Å; F193-F206 HydrophobicContact CZ-CE2 4.03Å; F193-F206 AromaticContact CZ-CG 3.81Å; F193-F206 HydrophobicContact CZ-CG 3.81Å; F193-F206 HydrophobicContact CZ-CZ 4.35Å; F193-L246 HydrophobicContact CE1-CD1 3.75Å; F193-L246 HydrophobicContact CZ-CD1 4.47Å; F193-G250 WeakPolarHBondContact CD1-O 3.46Å; F193-G250 WeakPolarHBondContact CE1-O 3.24Å; F193-G250 PolarHBondContact N-O 3.03Å; F193-A252 HydrophobicContact CD1-CB 4.15Å; F193-A252 HydrophobicContact CE1-CB 4.34Å; F193-I271 HydrophobicContact CB-CG1 3.99Å; F193-I271 HydrophobicContact CB-CG2 4.43Å; F193-I271 HydrophobicContact CD1-CD1 3.66Å; F193-I271 HydrophobicContact CD1-CG1 3.89Å; F193-I271 HydrophobicContact CD1-CG2 4.1Å; F193-I271 HydrophobicContact CD2-CG2 3.92Å; F193-I271 HydrophobicContact CE1-CD1 4.08Å; F193-I271 HydrophobicContact CE1-CG2 4.34Å; F193-I271 HydrophobicContact CE2-CG2 4.18Å; F193-I271 HydrophobicContact CG-CB 4.48Å; F193-I271 HydrophobicContact CG-CD1 4.3Å; F193-I271 HydrophobicContact CG-CG1 4.02Å; F193-I271 HydrophobicContact CG-CG2 3.89Å; F193-I271 HydrophobicContact CZ-CG2 4.39Å
194W97.4Very high94.4Very high63 Ų6349 Ų4924%0.23929%0.293CS..EExtended strand (participates in β ladder)trans-131.4140.8174.7175.488.4000109.2P86 V168 L170 S171 D196P86-W194 HydrophobicContact CB-CH2 3.96Å; P86-W194 HydrophobicContact CB-CZ2 3.94Å; P86-W194 HydrophobicContact CG-CH2 3.91Å; P86-W194 HydrophobicContact CG-CZ2 4.37Å; V168-W194 HydrophobicContact CG1-CZ3 4.26Å; V168-W194 WeakPolarHBondContact O-CZ3 3.11Å; L170-W194 WeakPolarHBondContact CA-O 3.45Å; S171-W194 PolarHBondContact N-O 3.29Å; S171-W194 PolarHBondContact O-N 3.17Å; W194-D196 VanDerWaalsContact CH2-CA 3.47Å; W194-D196 HydrophobicContact CH2-CB 3.59Å; W194-D196 HydrophobicContact CZ2-CB 4.29Å; W194-D196 HydrophobicContact CZ3-CB 3.97Å
195V96.9Very high94.3Very high25 Ų2547.7 Ų47.715%0.15228%0.28CS..EExtended strand (participates in β ladder)trans-123.5137.5177.7-1720000107.9I169 L170 F193 P197 L273I169-V195 WeakPolarHBondContact O-CA 3.26Å; L170-V195 HydrophobicContact CD1-CG2 4.17Å; F193-V195 HydrophobicContact CD2-CG2 3.78Å; F193-V195 HydrophobicContact CE2-CG2 3.81Å; V195-P197 VanDerWaalsContact O-CD 3.24Å; V195-P197 WeakPolarHBondContact O-CD 3.46Å; V195-L273 HydrophobicContact CB-CD1 4.49Å; V195-L273 HydrophobicContact CG1-CD1 3.67Å; V195-L273 HydrophobicContact CG1-CD2 4.42Å; V195-L273 HydrophobicContact CG2-CD1 4.02Å; V195-L273 HydrophobicContact CG2-CD2 4Å
196D95.6Very high94.3Very high20 Ų2044.8 Ų44.811%0.10727%0.266CS..  trans-65.3113.2177.2178.5-1.6000110.6I169 W194 S198 T199I169-D196 PolarHBondContact O-N 2.7Å; W194-D196 VanDerWaalsContact CH2-CA 3.47Å; W194-D196 HydrophobicContact CH2-CB 3.59Å; W194-D196 HydrophobicContact CZ2-CB 4.29Å; W194-D196 HydrophobicContact CZ3-CB 3.97Å; D196-S198 PolarHBondContact O-N 2.87Å; D196-S198 VanDerWaalsContact OD1-CB 3.28Å; D196-S198 WeakPolarHBondContact OD1-CB 3.45Å; D196-S198 PolarHBondContact OD1-N 3.39Å; D196-S198 PolarHBondContact OD1-OG 2.04Å; D196-S198 PolarHBondContact OD2-OG 2.97Å; D196-T199 HydrophobicContact CB-CG2 3.69Å; D196-T199 WeakPolarHBondContact O-CB 3.36Å; D196-T199 WeakPolarHBondContact O-CG2 3.46Å; D196-T199 PolarHBondContact O-N 2.89Å; D196-T199 PolarHBondContact O-OG1 3.21Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.31Å
197P94.3Very high94.3Very high100 Ų10040.3 Ų40.365%0.64924%0.236SC*.THydrogen-bonded Turntrans-72.7-8.8-177.132.8-37000113V195 T199V195-P197 VanDerWaalsContact O-CD 3.24Å; V195-P197 WeakPolarHBondContact O-CD 3.46Å; P197-T199 PolarHBondContact O-N 2.86Å
198S91.9Very high94.4Very high99 Ų9939.9 Ų39.969%0.69223%0.234SC*.THydrogen-bonded Turntrans-77-5.3172.477.30000113.1D196D196-S198 PolarHBondContact O-N 2.87Å; D196-S198 VanDerWaalsContact OD1-CB 3.28Å; D196-S198 WeakPolarHBondContact OD1-CB 3.45Å; D196-S198 PolarHBondContact OD1-N 3.39Å; D196-S198 PolarHBondContact OD1-OG 2.04Å; D196-S198 PolarHBondContact OD2-OG 2.97Å
199T91.6Very high94.3Very high4 Ų436.1 Ų36.13%0.02521%0.211CC..SBendtrans-103.7145.3-172.1750000112.8Y134 I169 D196 P197 L201 S202Y134-T199 HydrophobicContact CE1-CG2 4.43Å; Y134-T199 WeakPolarHBondContact OH-CG2 3.48Å; I169-T199 HydrophobicContact CD1-CG2 4.15Å; I169-T199 HydrophobicContact CG2-CG2 4.24Å; D196-T199 HydrophobicContact CB-CG2 3.69Å; D196-T199 WeakPolarHBondContact O-CB 3.36Å; D196-T199 WeakPolarHBondContact O-CG2 3.46Å; D196-T199 PolarHBondContact O-N 2.89Å; D196-T199 PolarHBondContact O-OG1 3.21Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.31Å; P197-T199 PolarHBondContact O-N 2.86Å; T199-L201 PolarHBondContact O-N 2.81Å; T199-L201 VanDerWaalsContact O-N 3.09Å; T199-S202 PolarHBondContact O-N 2.82Å; T199-S202 VanDerWaalsContact O-N 3.17Å; T199-S202 PolarHBondContact O-OG 2.94Å
200P90.6Very high94.3Very high67 Ų6736.1 Ų36.144%0.43521%0.211SC..THydrogen-bonded Turntrans-67.2-9.9175.930.1-36.6000113.3Y134 S204Y134-P200 HydrophobicContact CD1-CG 4.23Å; Y134-P200 HydrophobicContact CD2-CG 4.18Å; Y134-P200 HydrophobicContact CG-CG 3.89Å; P200-S204 PolarHBondContact O-OG 3.2Å
201L90.2Very high94.2Very high2 Ų239 Ų391%0.0122%0.22CC..THydrogen-bonded Turntrans-76.5-28.6176.6-60-178.7000111.9Y134 L135 W139 I169 T199 E203 S204 P274 L276Y134-L201 HydrophobicContact CD1-CD1 4.29Å; Y134-L201 HydrophobicContact CD1-CG 4.34Å; Y134-L201 HydrophobicContact CE1-CD1 4.15Å; Y134-L201 HydrophobicContact CE1-CG 4.43Å; L135-L201 HydrophobicContact CD2-CD1 4.45Å; W139-L201 HydrophobicContact CH2-CD1 4.39Å; I169-L201 HydrophobicContact CG2-CD1 4.3Å; T199-L201 PolarHBondContact O-N 2.81Å; T199-L201 VanDerWaalsContact O-N 3.09Å; L201-E203 PolarHBondContact O-N 3.16Å; L201-S204 PolarHBondContact O-N 2.61Å; L201-P274 HydrophobicContact CD2-CB 4.1Å; L201-P274 HydrophobicContact CD2-CG 4.37Å; L201-L276 HydrophobicContact CD1-CD1 3.5Å; L201-L276 HydrophobicContact CD1-CG 4.08Å
202S88.9Confident94.1Very high41 Ų4139.6 Ų39.629%0.28722%0.222SC..G310 helixtrans-63.9-38.8-179.265.80000113.2T199 S204T199-S202 PolarHBondContact O-N 2.82Å; T199-S202 VanDerWaalsContact O-N 3.17Å; T199-S202 PolarHBondContact O-OG 2.94Å; S202-S204 VanDerWaalsContact C-N 3.29Å; S202-S204 PolarHBondContact O-N 3.42Å
203E85.3Confident93.9Very high179 Ų17942.9 Ų42.984%0.83624%0.235SC*.G310 helixtrans-78.5-9.9178.7-59.6-173.4156.900113.8L201 G205L201-E203 PolarHBondContact O-N 3.16Å; E203-G205 VanDerWaalsContact C-N 3.33Å; E203-G205 PolarHBondContact O-N 2.89Å
204S87.4Confident93.6Very high49 Ų4943.9 Ų43.934%0.34324%0.243SC..G310 helixtrans-87.3-0.4-172.5-64.50000114.3P200 L201 S202P200-S204 PolarHBondContact O-OG 3.2Å; L201-S204 PolarHBondContact O-N 2.61Å; S202-S204 VanDerWaalsContact C-N 3.29Å; S202-S204 PolarHBondContact O-N 3.42Å
205G92.8Very high93Very high16 Ų1652.9 Ų52.917%0.16528%0.277CS..  trans84.4171.8-175.500000113.9E203E203-G205 VanDerWaalsContact C-N 3.33Å; E203-G205 PolarHBondContact O-N 2.89Å
206F96.3Very high92.3Very high28 Ų2855 Ų5512%0.12330%0.304CS..  trans-136.2165.5-178.763.6-89.7000110.6F193 V208 Y224 G226 L246 H247 Y272 L273F193-F206 HydrophobicContact CE1-CD2 4.3Å; F193-F206 HydrophobicContact CE1-CE2 4.41Å; F193-F206 HydrophobicContact CE2-CG 4.33Å; F193-F206 HydrophobicContact CZ-CB 4.39Å; F193-F206 HydrophobicContact CZ-CD1 4.12Å; F193-F206 AromaticContact CZ-CD2 3.74Å; F193-F206 HydrophobicContact CZ-CD2 3.74Å; F193-F206 HydrophobicContact CZ-CE1 4.38Å; F193-F206 HydrophobicContact CZ-CE2 4.03Å; F193-F206 AromaticContact CZ-CG 3.81Å; F193-F206 HydrophobicContact CZ-CG 3.81Å; F193-F206 HydrophobicContact CZ-CZ 4.35Å; F206-V208 HydrophobicContact CD2-CG2 4.06Å; F206-V208 HydrophobicContact CE2-CG2 4.03Å; F206-Y224 HydrophobicContact CE2-CD1 4.42Å; F206-Y224 HydrophobicContact CE2-CE1 4.14Å; F206-Y224 HydrophobicContact CZ-CE1 4.45Å; F206-G226 VanDerWaalsContact O-CA 3.25Å; F206-G226 WeakPolarHBondContact O-CA 3.44Å; F206-G226 PolarHBondContact O-N 2.77Å; F206-L246 HydrophobicContact CE2-CD1 3.84Å; F206-L246 HydrophobicContact CE2-CD2 4.05Å; F206-L246 HydrophobicContact CE2-CG 3.85Å; F206-L246 HydrophobicContact CZ-CD1 4.25Å; F206-L246 HydrophobicContact CZ-CD2 4.4Å; F206-L246 HydrophobicContact CZ-CG 3.93Å; F206-H247 AromaticContact CZ-CD2 3.77Å; F206-H247 AromaticContact CZ-NE2 3.97Å; F206-Y272 CarbonylContact C-O 3.55Å; F206-Y272 VanDerWaalsContact CA-O 3.28Å; F206-Y272 WeakPolarHBondContact CA-O 3.49Å; F206-L273 HydrophobicContact CB-CD2 3.91Å
207A97.3Very high91.8Very high0 Ų059.2 Ų59.20%033%0.327CS..EExtended strand (participates in β ladder)trans-134.8147.7166.200000110.9V122 L125 Y224 Y272V122-A207 HydrophobicContact CG1-CB 4.35Å; V122-A207 HydrophobicContact CG2-CB 4.28Å; L125-A207 HydrophobicContact CD1-CB 4.18Å; A207-Y224 CarbonylContact C-O 3.57Å; A207-Y224 WeakPolarHBondContact CA-O 3.45Å; A207-Y224 WeakPolarHBondContact CB-O 3.16Å; A207-Y272 HydrophobicContact CB-CD2 4.5Å; A207-Y272 PolarHBondContact N-O 2.88Å; A207-Y272 PolarHBondContact O-N 3.35Å
208V97.6Very high91.6Very high0 Ų056 Ų560%031%0.312CS..EExtended strand (participates in β ladder)trans-112.7137-179.8-177.40000109F206 A223 Y224 L241 L246 A252 I271F206-V208 HydrophobicContact CD2-CG2 4.06Å; F206-V208 HydrophobicContact CE2-CG2 4.03Å; V208-A223 CarbonylContact O-C 3.6Å; V208-A223 VanDerWaalsContact O-CA 3.3Å; V208-A223 WeakPolarHBondContact O-CA 3.4Å; V208-Y224 HydrophobicContact CG2-CD1 4.43Å; V208-Y224 PolarHBondContact N-O 3.1Å; V208-Y224 PolarHBondContact O-N 3.36Å; V208-L241 HydrophobicContact CB-CD1 4.28Å; V208-L241 HydrophobicContact CG1-CD1 4.03Å; V208-L246 HydrophobicContact CG2-CD1 3.88Å; V208-L246 HydrophobicContact CG2-CD2 4.23Å; V208-A252 HydrophobicContact CG1-CB 3.89Å; V208-A252 HydrophobicContact CG2-CB 4.1Å; V208-I271 HydrophobicContact CB-CD1 4.24Å; V208-I271 HydrophobicContact CG1-CD1 4.01Å; V208-I271 HydrophobicContact CG2-CD1 3.83Å
209E96.9Very high91.6Very high3 Ų354.8 Ų54.81%0.01429%0.292CS..EExtended strand (participates in β ladder)trans-132.5130.5171.1177.1171.2143.300110.6L119 W121 R211 L220 T270 Y272L119-E209 VanDerWaalsContact CD1-OE2 3.3Å; L119-E209 WeakPolarHBondContact CD1-OE2 3.07Å; W121-E209 VanDerWaalsContact CZ2-OE2 3.28Å; W121-E209 WeakPolarHBondContact CZ2-OE2 3.48Å; W121-E209 PolarHBondContact NE1-OE2 2.83Å; E209-R211 HydrophobicContact CG-CG 3.9Å; E209-R211 WeakPolarHBondContact OE1-CD 3.23Å; E209-R211 WeakPolarHBondContact OE1-CG 3.39Å; E209-R211 IonicContact OE1-CZ 2.72Å; E209-R211 IonicContact OE1-NE 2.64Å; E209-R211 IonicContact OE1-NH1 3.67Å; E209-R211 PolarHBondContact OE1-NH1 3.45Å; E209-L220 HydrophobicContact CG-CD1 3.66Å; E209-T270 PolarHBondContact N-O 2.85Å; E209-T270 PolarHBondContact O-N 2.83Å; E209-Y272 HydrophobicContact CB-CE2 3.77Å
210W97.5Very high91.7Very high0 Ų056.4 Ų56.40%030%0.3CS..EExtended strand (participates in β ladder)trans-111.4117.7166.4-80.894.9000109.9L189 C191 V221 L222 A252 L254 Y267 I268 C269 M282L189-W210 HydrophobicContact CB-CH2 3.65Å; L189-W210 HydrophobicContact CB-CZ2 4.42Å; L189-W210 HydrophobicContact CB-CZ3 4.11Å; L189-W210 HydrophobicContact CD1-CZ3 4.14Å; C191-W210 HydrophobicContact CB-CH2 3.97Å; C191-W210 HydrophobicContact CB-CZ2 3.45Å; C191-W210 VanDerWaalsContact CB-CZ2 3.45Å; W210-V221 HydrophobicContact CB-CB 4.31Å; W210-V221 WeakPolarHBondContact O-CB 3.32Å; W210-V221 PolarHBondContact O-N 2.97Å; W210-L222 HydrophobicContact CB-CB 4.38Å; W210-L222 PolarHBondContact N-O 2.04Å; W210-L222 PolarHBondContact O-N 2.83Å; W210-A252 PolarHBondContact NE1-O 3.4Å; W210-L254 HydrophobicContact CB-CD2 4.25Å; W210-L254 HydrophobicContact CD2-CB 3.65Å; W210-L254 HydrophobicContact CD2-CD2 3.95Å; W210-L254 HydrophobicContact CD2-CG 4.36Å; W210-L254 HydrophobicContact CE3-CB 4.17Å; W210-L254 HydrophobicContact CE3-CD2 3.99Å; W210-L254 HydrophobicContact CG-CB 4.01Å; W210-L254 HydrophobicContact CG-CD1 4.45Å; W210-L254 HydrophobicContact CG-CD2 4.09Å; W210-L254 HydrophobicContact CG-CG 4.43Å; W210-L254 HydrophobicContact CH2-CB 4.12Å; W210-L254 HydrophobicContact CZ2-CB 3.62Å; W210-L254 HydrophobicContact CZ3-CB 4.39Å; W210-Y267 HydrophobicContact CE3-CD1 4.37Å; W210-I268 WeakPolarHBondContact CA-O 3.48Å; W210-C269 HydrophobicContact CD2-CB 4.02Å; W210-C269 HydrophobicContact CE3-CB 4Å; W210-C269 HydrophobicContact CH2-CB 3.66Å; W210-C269 HydrophobicContact CZ2-CB 3.63Å; W210-C269 HydrophobicContact CZ3-CB 3.81Å; W210-M282 HydrophobicContact CH2-CE 4.14Å; W210-M282 HydrophobicContact CH2-SD 3.73Å; W210-M282 HydrophobicContact CZ3-SD 4.03Å
211R95.5Very high91.9Very high84 Ų8453.3 Ų53.332%0.31728%0.28SS..EExtended strand (participates in β ladder)trans-106.2145.3171-54.6-173.372.578.12.5110.4E209 Y267 I268E209-R211 HydrophobicContact CG-CG 3.9Å; E209-R211 WeakPolarHBondContact OE1-CD 3.23Å; E209-R211 WeakPolarHBondContact OE1-CG 3.39Å; E209-R211 IonicContact OE1-CZ 2.72Å; E209-R211 IonicContact OE1-NE 2.64Å; E209-R211 IonicContact OE1-NH1 3.67Å; E209-R211 PolarHBondContact OE1-NH1 3.45Å; R211-Y267 CarbonylContact O-C 3.6Å; R211-Y267 WeakPolarHBondContact O-CA 3.18Å; R211-I268 HydrophobicContact CB-CB 4.42Å; R211-I268 PolarHBondContact N-O 3.44Å; R211-I268 PolarHBondContact O-N 3.04Å
212Y95.5Very high92.1Very high13 Ų1353.4 Ų53.45%0.05128%0.281CS..EExtended strand (participates in β ladder)trans-106.8136.8165.8168.6-98000109T214 G218 R219 R262 S264 Y267Y212-T214 HydrophobicContact CE1-CG2 3.56Å; Y212-T214 WeakPolarHBondContact OH-CB 3.34Å; Y212-T214 WeakPolarHBondContact OH-CG2 3.05Å; Y212-G218 CarbonylContact O-C 3.6Å; Y212-G218 VanDerWaalsContact O-CA 3.24Å; Y212-G218 WeakPolarHBondContact O-CA 3.06Å; Y212-R219 HydrophobicContact CD1-CG 4.01Å; Y212-R219 PolarHBondContact N-O 3.44Å; Y212-R219 PolarHBondContact O-N 3.47Å; Y212-R262 PolarHBondContact OH-O 2.79Å; Y212-R262 VanDerWaalsContact OH-O 3.04Å; Y212-S264 PolarHBondContact OH-O 3.1Å; Y212-Y267 HydrophobicContact CD2-CD2 4.06Å; Y212-Y267 HydrophobicContact CD2-CE1 4.17Å; Y212-Y267 AromaticContact CD2-CE2 3.55Å; Y212-Y267 HydrophobicContact CD2-CE2 3.55Å; Y212-Y267 AromaticContact CD2-CZ 3.61Å; Y212-Y267 AromaticContact CE2-CE2 4Å; Y212-Y267 HydrophobicContact CE2-CE2 4Å
213Q94.2Very high92.5Very high88 Ų8851.4 Ų51.441%0.41127%0.267SS..EExtended strand (participates in β ladder)trans-134.2132.6176.8-165.817314.700110.6D217 T266Q213-D217 CarbonylContact C-O 3.54Å; Q213-D217 WeakPolarHBondContact CA-O 3.06Å; Q213-D217 WeakPolarHBondContact CG-O 3.45Å; Q213-T266 PolarHBondContact N-O 3.21Å; Q213-T266 PolarHBondContact O-N 3.16Å
214T91.8Very high93Very high41 Ų4143 Ų4325%0.25223%0.227SC..EExtended strand (participates in β ladder)trans-147.3129.1174.9-164.40000110.4Y212 G216 D217Y212-T214 HydrophobicContact CE1-CG2 3.56Å; Y212-T214 WeakPolarHBondContact OH-CB 3.34Å; Y212-T214 WeakPolarHBondContact OH-CG2 3.05Å; T214-G216 PolarHBondContact O-N 3.2Å; T214-D217 PolarHBondContact N-O 2.82Å; T214-D217 PolarHBondContact O-N 3.02Å
215R84.9Confident93.4Very high252 Ų25240.8 Ų40.895%0.95121%0.212SC*.THydrogen-bonded Turntrans50.928.8173.3-55.5-178.7179.1-173.8-0.7115.4
216G82.3Confident93.4Very high70 Ų7040.8 Ų40.872%0.72221%0.212SC*.THydrogen-bonded Turntrans92.1-11.1-178.700000115.6T214T214-G216 PolarHBondContact O-N 3.2Å
217D85.8Confident93.3Very high108 Ų10843.5 Ų43.558%0.57822%0.224SC*.EExtended strand (participates in β ladder)trans-85.1147165.8-174.625.1000110Q213 T214Q213-D217 CarbonylContact C-O 3.54Å; Q213-D217 WeakPolarHBondContact CA-O 3.06Å; Q213-D217 WeakPolarHBondContact CG-O 3.45Å; T214-D217 PolarHBondContact N-O 2.82Å; T214-D217 PolarHBondContact O-N 3.02Å
218G89.1Confident93.2Very high33 Ų3347.6 Ų47.634%0.3425%0.245SC..EExtended strand (participates in β ladder)trans-155.8127.2-17400000113.2Y212Y212-G218 CarbonylContact O-C 3.6Å; Y212-G218 VanDerWaalsContact O-CA 3.24Å; Y212-G218 WeakPolarHBondContact O-CA 3.06Å
219R91.8Very high93Very high73 Ų7353.3 Ų53.328%0.27528%0.275SS..EExtended strand (participates in β ladder)trans-132150.3-173.568.4-159.8-177.8114.19.6112.1Y212 E236Y212-R219 HydrophobicContact CD1-CG 4.01Å; Y212-R219 PolarHBondContact N-O 3.44Å; Y212-R219 PolarHBondContact O-N 3.47Å; R219-E236 IonicContact CZ-OE2 2.63Å; R219-E236 IonicContact NH1-OE2 3.3Å; R219-E236 PolarHBondContact NH1-OE2 3.28Å; R219-E236 IonicContact NH2-OE2 3.95Å; R219-E236 PolarHBondContact NH2-OE2 2.74Å
220L93.8Very high92.8Very high38 Ų3859.2 Ų59.220%0.19930%0.298CS..EExtended strand (participates in β ladder)trans-72.1128.1170.7-176.564.4000109.2W121 E209 A223 T234W121-L220 HydrophobicContact CH2-CD2 4.08Å; W121-L220 HydrophobicContact CZ2-CD1 4.48Å; W121-L220 HydrophobicContact CZ2-CD2 4.18Å; W121-L220 HydrophobicContact CZ3-CD2 4.32Å; E209-L220 HydrophobicContact CG-CD1 3.66Å; L220-A223 HydrophobicContact CD1-CB 3.99Å; L220-A223 HydrophobicContact CD2-CB 4.01Å; L220-A223 HydrophobicContact CG-CB 4.49Å; L220-T234 HydrophobicContact CD2-CG2 3.84Å; L220-T234 HydrophobicContact CG-CG2 3.92Å
221V95Very high92.6Very high2 Ų263.3 Ų63.31%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-94.8-48.2174.7-179.90000109.6W210 T234 E236 A239 L254 Y267W210-V221 HydrophobicContact CB-CB 4.31Å; W210-V221 WeakPolarHBondContact O-CB 3.32Å; W210-V221 PolarHBondContact O-N 2.97Å; V221-T234 WeakPolarHBondContact O-CB 3.38Å; V221-T234 PolarHBondContact O-OG1 2.92Å; V221-E236 HydrophobicContact CG1-CB 4.36Å; V221-E236 HydrophobicContact CG1-CG 4.45Å; V221-A239 HydrophobicContact CG1-CB 3.84Å; V221-L254 HydrophobicContact CG1-CD1 4.35Å; V221-L254 HydrophobicContact CG1-CD2 4.09Å; V221-Y267 HydrophobicContact CG2-CD1 4.5Å; V221-Y267 HydrophobicContact CG2-CE1 4.1Å
222L95.4Very high92.3Very high3 Ų360.3 Ų60.32%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-152.7137-179.4-172.3150000108.9W210 L231 L241W210-L222 HydrophobicContact CB-CB 4.38Å; W210-L222 PolarHBondContact N-O 2.04Å; W210-L222 PolarHBondContact O-N 2.83Å; L222-L231 HydrophobicContact CD1-CD1 4.29Å; L222-L231 HydrophobicContact CD2-CD1 3.98Å; L222-L231 HydrophobicContact CG-CD1 3.94Å; L222-L241 HydrophobicContact CD1-CD2 4.43Å; L222-L241 HydrophobicContact CD1-CG 3.93Å; L222-L241 HydrophobicContact CD2-CD1 3.58Å; L222-L241 HydrophobicContact CD2-CD2 4.27Å; L222-L241 HydrophobicContact CD2-CG 3.72Å
223A95.6Very high91.7Very high0 Ų067.9 Ų67.90%035%0.353CS..EExtended strand (participates in β ladder)trans-133.2139.2163.200000110.1W121 V208 L220 L231 A232W121-A223 HydrophobicContact CD2-CB 4.22Å; W121-A223 HydrophobicContact CG-CB 3.93Å; V208-A223 CarbonylContact O-C 3.6Å; V208-A223 VanDerWaalsContact O-CA 3.3Å; V208-A223 WeakPolarHBondContact O-CA 3.4Å; L220-A223 HydrophobicContact CD1-CB 3.99Å; L220-A223 HydrophobicContact CD2-CB 4.01Å; L220-A223 HydrophobicContact CG-CB 4.49Å; A223-L231 WeakPolarHBondContact O-CD1 3.44Å; A223-A232 HydrophobicContact CB-CB 3.91Å; A223-A232 PolarHBondContact O-N 2.73Å
224Y96Very high91.1Very high2 Ų266 Ų661%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-136.3124.9-175.6172.5-106.2000110.6F206 A207 V208 D229 L231 F243 L246 H247F206-Y224 HydrophobicContact CE2-CD1 4.42Å; F206-Y224 HydrophobicContact CE2-CE1 4.14Å; F206-Y224 HydrophobicContact CZ-CE1 4.45Å; A207-Y224 CarbonylContact C-O 3.57Å; A207-Y224 WeakPolarHBondContact CA-O 3.45Å; A207-Y224 WeakPolarHBondContact CB-O 3.16Å; V208-Y224 HydrophobicContact CG2-CD1 4.43Å; V208-Y224 PolarHBondContact N-O 3.1Å; V208-Y224 PolarHBondContact O-N 3.36Å; Y224-D229 WeakPolarHBondContact CE2-OD1 3.34Å; Y224-D229 PolarHBondContact OH-OD1 3.41Å; Y224-L231 HydrophobicContact CD2-CD1 4.34Å; Y224-F243 HydrophobicContact CD1-CE1 4.4Å; Y224-F243 HydrophobicContact CD2-CD1 4.25Å; Y224-F243 AromaticContact CD2-CE1 3.55Å; Y224-F243 HydrophobicContact CD2-CE1 3.55Å; Y224-F243 HydrophobicContact CD2-CZ 4.43Å; Y224-F243 HydrophobicContact CE1-CD1 4.36Å; Y224-F243 HydrophobicContact CE1-CE1 4.5Å; Y224-F243 AromaticContact CE2-CD1 3.97Å; Y224-F243 HydrophobicContact CE2-CD1 3.97Å; Y224-F243 AromaticContact CE2-CE1 3.68Å; Y224-F243 HydrophobicContact CE2-CE1 3.68Å; Y224-F243 AromaticContact CG-CE1 3.94Å; Y224-F243 HydrophobicContact CG-CE1 3.94Å; Y224-L246 HydrophobicContact CD1-CD2 3.6Å; Y224-L246 HydrophobicContact CE1-CD2 3.57Å; Y224-H247 AromaticContact CZ-CE1 3.88Å; Y224-H247 AromaticContact CZ-NE2 3.92Å; Y224-H247 PolarHBondContact OH-CE1 3.35Å; Y224-H247 PolarHBondContact OH-NE2 3.32Å
225D95.8Very high90.4Very high2 Ų273.1 Ų73.11%0.01138%0.378CS..EExtended strand (participates in β ladder)trans-92.498.9174.5-178.8-13.7000108.7S124 K227 L228 D229 R230S124-D225 WeakPolarHBondContact CB-OD2 3.28Å; S124-D225 PolarHBondContact OG-OD1 3.15Å; S124-D225 PolarHBondContact OG-OD2 2.9Å; D225-K227 VanDerWaalsContact C-N 3.26Å; D225-K227 PolarHBondContact O-N 2.99Å; D225-K227 PolarHBondContact OD1-N 2.75Å; D225-K227 VanDerWaalsContact OD1-N 3.16Å; D225-L228 PolarHBondContact O-N 3.02Å; D225-L228 PolarHBondContact OD1-N 3.08Å; D225-L228 VanDerWaalsContact OD1-N 3.11Å; D225-L228 WeakPolarHBondContact OD2-CD1 3.13Å; D225-D229 WeakPolarHBondContact O-CA 3.5Å; D225-D229 PolarHBondContact O-N 2.92Å; D225-R230 HydrophobicContact CB-CB 4.41Å; D225-R230 WeakPolarHBondContact CB-O 3.48Å; D225-R230 PolarHBondContact N-O 1.85Å; D225-R230 PolarHBondContact O-N 3.42Å; D225-R230 IonicContact OD2-NH2 2.72Å; D225-R230 PolarHBondContact OD2-NH2 2.53Å
226G94.1Very high90.3Very high16 Ų1661.8 Ų61.817%0.16534%0.336CS..THydrogen-bonded Turntrans-77.5-6.6-179.200000114.4F206F206-G226 VanDerWaalsContact O-CA 3.25Å; F206-G226 WeakPolarHBondContact O-CA 3.44Å; F206-G226 PolarHBondContact O-N 2.77Å
227K93.7Very high90.4Very high86 Ų8663.5 Ų63.537%0.37433%0.332SS..THydrogen-bonded Turntrans-82.2-35.9170.3-178.2-177164.5-170.50111.2S124 L125 E127 D225S124-K227 WeakPolarHBondContact O-CD 3.21Å; S124-K227 PolarHBondContact O-NZ 2.93Å; L125-K227 HydrophobicContact CD2-CB 3.86Å; L125-K227 HydrophobicContact CD2-CD 4.26Å; E127-K227 IonicContact OE2-NZ 3.14Å; E127-K227 PolarHBondContact OE2-NZ 3.35Å; D225-K227 VanDerWaalsContact C-N 3.26Å; D225-K227 PolarHBondContact O-N 2.99Å; D225-K227 PolarHBondContact OD1-N 2.75Å; D225-K227 VanDerWaalsContact OD1-N 3.16Å
228L94.1Very high90.7Very high85 Ų8559.6 Ų59.645%0.44532%0.317SS..THydrogen-bonded Turntrans-105.31.9-179.1-59.9-175.4000114.4D225 R230D225-L228 PolarHBondContact O-N 3.02Å; D225-L228 PolarHBondContact OD1-N 3.08Å; D225-L228 VanDerWaalsContact OD1-N 3.11Å; D225-L228 WeakPolarHBondContact OD2-CD1 3.13Å; L228-R230 HydrophobicContact CB-CB 4.39Å; L228-R230 PolarHBondContact O-N 2.84Å
229D93.8Very high90.9Very high120 Ų12058.9 Ų58.964%0.64231%0.309SS*.THydrogen-bonded Turntrans47.756.4-172.2-170.917.9000112.2Y224 D225Y224-D229 WeakPolarHBondContact CE2-OD1 3.34Å; Y224-D229 PolarHBondContact OH-OD1 3.41Å; D225-D229 WeakPolarHBondContact O-CA 3.5Å; D225-D229 PolarHBondContact O-N 2.92Å
230R93.4Very high91.1Very high128 Ų12860 Ų6048%0.48332%0.316SS..EExtended strand (participates in β ladder)trans-135.5122.4-171.8-175.9-176.159.6175.8-7112.6D225 L228D225-R230 HydrophobicContact CB-CB 4.41Å; D225-R230 WeakPolarHBondContact CB-O 3.48Å; D225-R230 PolarHBondContact N-O 1.85Å; D225-R230 PolarHBondContact O-N 3.42Å; D225-R230 IonicContact OD2-NH2 2.72Å; D225-R230 PolarHBondContact OD2-NH2 2.53Å; L228-R230 HydrophobicContact CB-CB 4.39Å; L228-R230 PolarHBondContact O-N 2.84Å
231L92.8Very high91.2Very high86 Ų8658.5 Ų58.545%0.4531%0.308SS..EExtended strand (participates in β ladder)trans-76.9142.6167.9-155.172.5000111L222 A223 Y224 F243L222-L231 HydrophobicContact CD1-CD1 4.29Å; L222-L231 HydrophobicContact CD2-CD1 3.98Å; L222-L231 HydrophobicContact CG-CD1 3.94Å; A223-L231 WeakPolarHBondContact O-CD1 3.44Å; Y224-L231 HydrophobicContact CD2-CD1 4.34Å; L231-F243 HydrophobicContact CD1-CZ 4.29Å
232A89.3Confident91.3Very high20 Ų2062 Ų6217%0.16533%0.326CS..PPolyproline II helixtrans-81.1147.3167.700000111.1W121 A223 T234W121-A232 HydrophobicContact CB-CB 4.37Å; A223-A232 HydrophobicContact CB-CB 3.91Å; A223-A232 PolarHBondContact O-N 2.73Å; A232-T234 PolarHBondContact O-N 2.97Å
233D83.1Confident91.3Very high173 Ų17365.8 Ų65.893%0.92534%0.343SS*.PPolyproline II helixtrans-64.5121173.1-66.4-42.2000110.4
234T82.5Confident91.2Very high48 Ų4872.4 Ų72.429%0.29437%0.374SS..  trans-130160.217862.80000111.5L220 V221 A232L220-T234 HydrophobicContact CD2-CG2 3.84Å; L220-T234 HydrophobicContact CG-CG2 3.92Å; V221-T234 WeakPolarHBondContact O-CB 3.38Å; V221-T234 PolarHBondContact O-OG1 2.92Å; A232-T234 PolarHBondContact O-N 2.97Å
235H77Confident91.3Very high190 Ų19072.3 Ų72.388%0.8837%0.374SS*.SBendtrans-92.3-7.9-177-72-68.3000114.4
236E82.6Confident91.3Very high15 Ų1572.3 Ų72.37%0.0737%0.373CS..  trans-90.7113.5-179.7-166.170.3-145.100110.8R219 V221 A239 R262 H263R219-E236 IonicContact CZ-OE2 2.63Å; R219-E236 IonicContact NH1-OE2 3.3Å; R219-E236 PolarHBondContact NH1-OE2 3.28Å; R219-E236 IonicContact NH2-OE2 3.95Å; R219-E236 PolarHBondContact NH2-OE2 2.74Å; V221-E236 HydrophobicContact CG1-CB 4.36Å; V221-E236 HydrophobicContact CG1-CG 4.45Å; E236-A239 HydrophobicContact CG-CB 4.25Å; E236-R262 IonicContact OE1-CZ 3.81Å; E236-R262 IonicContact OE1-NE 2.66Å; E236-R262 PolarHBondContact OE1-NE 2.9Å; E236-R262 IonicContact OE1-NH2 2.76Å; E236-R262 PolarHBondContact OE1-NH2 2.63Å; E236-R262 IonicContact OE2-NE 2.62Å; E236-H263 IonicContact OE1-CD2 3.88Å; E236-H263 IonicContact OE1-CE1 3.82Å; E236-H263 IonicContact OE1-NE2 2.65Å; E236-H263 PolarHBondContact OE1-NE2 2.88Å; E236-H263 IonicContact OE2-NE2 3.72Å; E236-H263 PolarHBondContact OE2-NE2 2.84Å
237T83.9Confident91.3Very high105 Ų10575.9 Ų75.964%0.64439%0.386SS*.THydrogen-bonded Turntrans-83.514017556.30000111.2
238G91Very high91.4Very high26 Ų2678.3 Ų78.327%0.26840%0.398SS..THydrogen-bonded Turntrans81.524179.400000113.6L256 E257G238-L256 CarbonylContact O-C 3.51Å; G238-L256 WeakPolarHBondContact O-CA 3.41Å; G238-E257 PolarHBondContact O-N 3.3Å
239A94.9Very high91.4Very high19 Ų1982.3 Ų82.316%0.15741%0.408CS..EExtended strand (participates in β ladder)trans-115.8125172.900000109.1V221 E236 L254 V255 L256V221-A239 HydrophobicContact CG1-CB 3.84Å; E236-A239 HydrophobicContact CG-CB 4.25Å; A239-L254 HydrophobicContact CB-CD1 4.18Å; A239-V255 WeakPolarHBondContact CA-O 3.27Å; A239-L256 HydrophobicContact CB-CD2 3.92Å
240F95.1Very high91.5Very high96 Ų9677.1 Ų77.142%0.42138%0.382SS..EExtended strand (participates in β ladder)trans-150167.5-176.162.6-88.5000113.7V255 E257F240-V255 HydrophobicContact CD1-CB 4.29Å; F240-V255 HydrophobicContact CD2-CB 4.05Å; F240-V255 HydrophobicContact CD2-CG2 4.42Å; F240-V255 HydrophobicContact CE1-CB 3.96Å; F240-V255 HydrophobicContact CE1-CG1 3.74Å; F240-V255 HydrophobicContact CE2-CB 3.7Å; F240-V255 HydrophobicContact CE2-CG1 3.93Å; F240-V255 HydrophobicContact CE2-CG2 3.99Å; F240-V255 HydrophobicContact CG-CB 4.34Å; F240-V255 HydrophobicContact CZ-CB 3.66Å; F240-V255 HydrophobicContact CZ-CG1 3.4Å; F240-V255 VanDerWaalsContact CZ-CG1 3.4Å; F240-V255 HydrophobicContact CZ-CG2 4.33Å; F240-V255 PolarHBondContact N-O 3.24Å; F240-V255 PolarHBondContact O-N 2.91Å; F240-E257 HydrophobicContact CE1-CB 4.39Å
241L96.3Very high91.7Very high6 Ų672.9 Ų72.93%0.03137%0.369CS..  trans-114.2155.3171.9-57.7-177.6000110V208 L222 F243 L246 S253V208-L241 HydrophobicContact CB-CD1 4.28Å; V208-L241 HydrophobicContact CG1-CD1 4.03Å; L222-L241 HydrophobicContact CD1-CD2 4.43Å; L222-L241 HydrophobicContact CD1-CG 3.93Å; L222-L241 HydrophobicContact CD2-CD1 3.58Å; L222-L241 HydrophobicContact CD2-CD2 4.27Å; L222-L241 HydrophobicContact CD2-CG 3.72Å; L241-F243 HydrophobicContact CB-CE1 4.28Å; L241-F243 PolarHBondContact O-N 2.79Å; L241-L246 HydrophobicContact CD1-CD2 3.96Å; L241-S253 WeakPolarHBondContact CD2-O 3.44Å
242D96.3Very high92Very high76 Ų7668.8 Ų68.841%0.40635%0.347SS..  trans-8496.3164178.3-13.5000108.8E244 A245 L246D242-E244 VanDerWaalsContact C-N 3.27Å; D242-E244 PolarHBondContact O-N 2.98Å; D242-E244 PolarHBondContact OD1-N 2.96Å; D242-E244 VanDerWaalsContact OD1-N 3.14Å; D242-A245 HydrophobicContact CB-CB 4.08Å; D242-A245 PolarHBondContact O-N 3.05Å; D242-A245 PolarHBondContact OD1-N 2.85Å; D242-A245 VanDerWaalsContact OD2-CB 3.27Å; D242-A245 WeakPolarHBondContact OD2-CB 3.43Å; D242-L246 WeakPolarHBondContact O-CB 3.29Å; D242-L246 PolarHBondContact O-N 2.88Å
243F95.2Very high92.4Very high83 Ų8368.2 Ų68.236%0.36434%0.343SS..Hα-helixtrans-66.1-25.8-176.7-62.4-70.5000113.7Y224 L231 L241 L246 H247Y224-F243 HydrophobicContact CD1-CE1 4.4Å; Y224-F243 HydrophobicContact CD2-CD1 4.25Å; Y224-F243 AromaticContact CD2-CE1 3.55Å; Y224-F243 HydrophobicContact CD2-CE1 3.55Å; Y224-F243 HydrophobicContact CD2-CZ 4.43Å; Y224-F243 HydrophobicContact CE1-CD1 4.36Å; Y224-F243 HydrophobicContact CE1-CE1 4.5Å; Y224-F243 AromaticContact CE2-CD1 3.97Å; Y224-F243 HydrophobicContact CE2-CD1 3.97Å; Y224-F243 AromaticContact CE2-CE1 3.68Å; Y224-F243 HydrophobicContact CE2-CE1 3.68Å; Y224-F243 AromaticContact CG-CE1 3.94Å; Y224-F243 HydrophobicContact CG-CE1 3.94Å; L231-F243 HydrophobicContact CD1-CZ 4.29Å; L241-F243 HydrophobicContact CB-CE1 4.28Å; L241-F243 PolarHBondContact O-N 2.79Å; F243-L246 HydrophobicContact CD1-CD2 4.16Å; F243-H247 PolarHBondContact O-N 3.17Å; F243-H247 PolarHBondContact O-ND1 2.79Å
244E95.1Very high93.1Very high139 Ų13960 Ų6065%0.6530%0.299SS*.Hα-helixtrans-71.6-52.8176.7-173.7176.616300109.2D242 L246 H247 E248D242-E244 VanDerWaalsContact C-N 3.27Å; D242-E244 PolarHBondContact O-N 2.98Å; D242-E244 PolarHBondContact OD1-N 2.96Å; D242-E244 VanDerWaalsContact OD1-N 3.14Å; E244-L246 PolarHBondContact O-N 3.28Å; E244-H247 PolarHBondContact O-N 3.41Å; E244-E248 WeakPolarHBondContact O-CB 3.06Å; E244-E248 WeakPolarHBondContact O-CG 3.11Å; E244-E248 PolarHBondContact O-N 3.04Å
245A96.9Very high93.8Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-63.7-29.1175.600000113.4D242 R249 G250 N251D242-A245 HydrophobicContact CB-CB 4.08Å; D242-A245 PolarHBondContact O-N 3.05Å; D242-A245 PolarHBondContact OD1-N 2.85Å; D242-A245 VanDerWaalsContact OD2-CB 3.27Å; D242-A245 WeakPolarHBondContact OD2-CB 3.43Å; A245-R249 VanDerWaalsContact CB-NH2 3.35Å; A245-R249 CarbonylContact O-C 3.56Å; A245-R249 WeakPolarHBondContact O-CA 3.37Å; A245-R249 WeakPolarHBondContact O-CB 3.48Å; A245-R249 PolarHBondContact O-N 3.1Å; A245-G250 PolarHBondContact O-N 3.15Å; A245-N251 HydrophobicContact CB-CB 3.79Å; A245-N251 WeakPolarHBondContact O-CB 3.43Å; A245-N251 PolarHBondContact O-N 3.07Å; A245-N251 VanDerWaalsContact O-N 3.12Å
246L97Very high94.7Very high1 Ų150 Ų501%0.00525%0.25CS..Hα-helixtrans-63-50.8176.1178.958.7000112F193 F206 V208 Y224 L241 D242 F243 E244 G250 N251 A252F193-L246 HydrophobicContact CE1-CD1 3.75Å; F193-L246 HydrophobicContact CZ-CD1 4.47Å; F206-L246 HydrophobicContact CE2-CD1 3.84Å; F206-L246 HydrophobicContact CE2-CD2 4.05Å; F206-L246 HydrophobicContact CE2-CG 3.85Å; F206-L246 HydrophobicContact CZ-CD1 4.25Å; F206-L246 HydrophobicContact CZ-CD2 4.4Å; F206-L246 HydrophobicContact CZ-CG 3.93Å; V208-L246 HydrophobicContact CG2-CD1 3.88Å; V208-L246 HydrophobicContact CG2-CD2 4.23Å; Y224-L246 HydrophobicContact CD1-CD2 3.6Å; Y224-L246 HydrophobicContact CE1-CD2 3.57Å; L241-L246 HydrophobicContact CD1-CD2 3.96Å; D242-L246 WeakPolarHBondContact O-CB 3.29Å; D242-L246 PolarHBondContact O-N 2.88Å; F243-L246 HydrophobicContact CD1-CD2 4.16Å; E244-L246 PolarHBondContact O-N 3.28Å; L246-G250 WeakPolarHBondContact O-CA 3.4Å; L246-G250 PolarHBondContact O-N 3.12Å; L246-N251 VanDerWaalsContact CA-O 3.26Å; L246-N251 WeakPolarHBondContact CA-O 3.35Å; L246-N251 WeakPolarHBondContact CB-O 3.3Å; L246-A252 HydrophobicContact CD1-CB 3.92Å
247H94.3Very high95.4Very high92 Ų9255 Ų5543%0.42627%0.274SS..Hα-helixtrans-77.1-37.3-178.7-64.399.5000112.9F206 Y224 F243 E244F206-H247 AromaticContact CZ-CD2 3.77Å; F206-H247 AromaticContact CZ-NE2 3.97Å; Y224-H247 AromaticContact CZ-CE1 3.88Å; Y224-H247 AromaticContact CZ-NE2 3.92Å; Y224-H247 PolarHBondContact OH-CE1 3.35Å; Y224-H247 PolarHBondContact OH-NE2 3.32Å; F243-H247 PolarHBondContact O-N 3.17Å; F243-H247 PolarHBondContact O-ND1 2.79Å; E244-H247 PolarHBondContact O-N 3.41Å
248E93.8Very high95.9Very high136 Ų13654.7 Ų54.764%0.63627%0.265SS*.Hα-helixtrans-76.4-33.4-177.9-68.4-167.6151.100113.8E244E244-E248 WeakPolarHBondContact O-CB 3.06Å; E244-E248 WeakPolarHBondContact O-CG 3.11Å; E244-E248 PolarHBondContact O-N 3.04Å
249R94.8Very high96.1Very high170 Ų17053.5 Ų53.564%0.64225%0.253SS*.Hα-helixtrans-1343.1-166.2-64.9177.1-72.8-175.6-2.9114.2A245 N251A245-R249 VanDerWaalsContact CB-NH2 3.35Å; A245-R249 CarbonylContact O-C 3.56Å; A245-R249 WeakPolarHBondContact O-CA 3.37Å; A245-R249 WeakPolarHBondContact O-CB 3.48Å; A245-R249 PolarHBondContact O-N 3.1Å; R249-N251 PolarHBondContact O-N 3.02Å
250G96.6Very high96.2Very high10 Ų1055.3 Ų55.310%0.10326%0.257CS..  trans66.923-175.300000113.5S192 F193 A245 L246 A252S192-G250 CarbonylContact C-O 3.58Å; S192-G250 WeakPolarHBondContact CA-O 3.5Å; F193-G250 WeakPolarHBondContact CD1-O 3.46Å; F193-G250 WeakPolarHBondContact CE1-O 3.24Å; F193-G250 PolarHBondContact N-O 3.03Å; A245-G250 PolarHBondContact O-N 3.15Å; L246-G250 WeakPolarHBondContact O-CA 3.4Å; L246-G250 PolarHBondContact O-N 3.12Å; G250-A252 PolarHBondContact O-N 3.35Å
251N98Very high96.1Very high39 Ų3951.7 Ų51.721%0.20924%0.243CC..BIsolated β-bridgetrans-81.698.8-179.1-173.94.6000111.3C191 A245 L246 R249 S253C191-N251 PolarHBondContact O-OD1 2.8Å; A245-N251 HydrophobicContact CB-CB 3.79Å; A245-N251 WeakPolarHBondContact O-CB 3.43Å; A245-N251 PolarHBondContact O-N 3.07Å; A245-N251 VanDerWaalsContact O-N 3.12Å; L246-N251 VanDerWaalsContact CA-O 3.26Å; L246-N251 WeakPolarHBondContact CA-O 3.35Å; L246-N251 WeakPolarHBondContact CB-O 3.3Å; R249-N251 PolarHBondContact O-N 3.02Å; N251-S253 VanDerWaalsContact OD1-CB 3.22Å; N251-S253 WeakPolarHBondContact OD1-CB 3.36Å; N251-S253 PolarHBondContact OD1-N 2.9Å; N251-S253 VanDerWaalsContact OD1-N 3.15Å; N251-S253 PolarHBondContact OD1-OG 3.08Å
252A98.1Very high95.9Very high0 Ų057.2 Ų57.20%026%0.263CS..  trans-95.521.3177.900000113.5C191 F193 V208 W210 L246 G250 L254 I271C191-A252 HydrophobicContact CB-CB 4.49Å; C191-A252 CarbonylContact O-C 3.53Å; C191-A252 VanDerWaalsContact O-C 3.25Å; C191-A252 WeakPolarHBondContact O-CA 3.44Å; C191-A252 PolarHBondContact O-N 3.46Å; F193-A252 HydrophobicContact CD1-CB 4.15Å; F193-A252 HydrophobicContact CE1-CB 4.34Å; V208-A252 HydrophobicContact CG1-CB 3.89Å; V208-A252 HydrophobicContact CG2-CB 4.1Å; W210-A252 PolarHBondContact NE1-O 3.4Å; L246-A252 HydrophobicContact CD1-CB 3.92Å; G250-A252 PolarHBondContact O-N 3.35Å; A252-L254 PolarHBondContact O-N 3.02Å; A252-I271 HydrophobicContact CB-CD1 3.66Å
253S98.3Very high95.9Very high9 Ų953.7 Ų53.76%0.06324%0.244CC..PPolyproline II helixtrans-61.4131-176.9-60.20000112.5L189 D190 C191 L241 N251L189-S253 CarbonylContact O-C 3.58Å; L189-S253 VanDerWaalsContact O-CA 3.22Å; L189-S253 WeakPolarHBondContact O-CA 3.42Å; L189-S253 WeakPolarHBondContact O-CB 3.24Å; D190-S253 WeakPolarHBondContact CA-OG 3.26Å; C191-S253 PolarHBondContact N-OG 3.36Å; C191-S253 PolarHBondContact O-N 2.96Å; C191-S253 PolarHBondContact O-OG 2.8Å; L241-S253 WeakPolarHBondContact CD2-O 3.44Å; N251-S253 VanDerWaalsContact OD1-CB 3.22Å; N251-S253 WeakPolarHBondContact OD1-CB 3.36Å; N251-S253 PolarHBondContact OD1-N 2.9Å; N251-S253 VanDerWaalsContact OD1-N 3.15Å; N251-S253 PolarHBondContact OD1-OG 3.08Å
254L97.9Very high95.9Very high0 Ų051.2 Ų51.20%024%0.237CC..EExtended strand (participates in β ladder)trans-82.8127.3176176.167.1000110.1T188 L189 W210 V221 A239 A252 L256 Y267T188-L254 CarbonylContact C-O 3.57Å; T188-L254 WeakPolarHBondContact CA-O 3.47Å; L189-L254 HydrophobicContact CB-CB 4.43Å; L189-L254 HydrophobicContact CD1-CD2 4.48Å; L189-L254 PolarHBondContact N-O 3.12Å; L189-L254 PolarHBondContact O-N 3.44Å; L189-L254 VanDerWaalsContact O-N 3.1Å; W210-L254 HydrophobicContact CB-CD2 4.25Å; W210-L254 HydrophobicContact CD2-CB 3.65Å; W210-L254 HydrophobicContact CD2-CD2 3.95Å; W210-L254 HydrophobicContact CD2-CG 4.36Å; W210-L254 HydrophobicContact CE3-CB 4.17Å; W210-L254 HydrophobicContact CE3-CD2 3.99Å; W210-L254 HydrophobicContact CG-CB 4.01Å; W210-L254 HydrophobicContact CG-CD1 4.45Å; W210-L254 HydrophobicContact CG-CD2 4.09Å; W210-L254 HydrophobicContact CG-CG 4.43Å; W210-L254 HydrophobicContact CH2-CB 4.12Å; W210-L254 HydrophobicContact CZ2-CB 3.62Å; W210-L254 HydrophobicContact CZ3-CB 4.39Å; V221-L254 HydrophobicContact CG1-CD1 4.35Å; V221-L254 HydrophobicContact CG1-CD2 4.09Å; A239-L254 HydrophobicContact CB-CD1 4.18Å; A252-L254 PolarHBondContact O-N 3.02Å; L254-L256 HydrophobicContact CD2-CD2 4.12Å; L254-L256 HydrophobicContact CD2-CG 4.48Å; L254-L256 HydrophobicContact CG-CD2 4.26Å; L254-L256 HydrophobicContact CG-CG 4.5Å; L254-Y267 HydrophobicContact CD2-CD1 3.77Å; L254-Y267 HydrophobicContact CD2-CE1 3.85Å
255V96.9Very high95.9Very high27 Ų2745 Ų4516%0.16421%0.211CC..EExtended strand (participates in β ladder)trans-103.8126168.2-171.80000109.3V187 T188 A239 F240V187-V255 CarbonylContact O-C 3.6Å; V187-V255 WeakPolarHBondContact O-CA 3.25Å; T188-V255 HydrophobicContact CG2-CG2 4.26Å; A239-V255 WeakPolarHBondContact CA-O 3.27Å; F240-V255 HydrophobicContact CD1-CB 4.29Å; F240-V255 HydrophobicContact CD2-CB 4.05Å; F240-V255 HydrophobicContact CD2-CG2 4.42Å; F240-V255 HydrophobicContact CE1-CB 3.96Å; F240-V255 HydrophobicContact CE1-CG1 3.74Å; F240-V255 HydrophobicContact CE2-CB 3.7Å; F240-V255 HydrophobicContact CE2-CG1 3.93Å; F240-V255 HydrophobicContact CE2-CG2 3.99Å; F240-V255 HydrophobicContact CG-CB 4.34Å; F240-V255 HydrophobicContact CZ-CB 3.66Å; F240-V255 HydrophobicContact CZ-CG1 3.4Å; F240-V255 VanDerWaalsContact CZ-CG1 3.4Å; F240-V255 HydrophobicContact CZ-CG2 4.33Å; F240-V255 PolarHBondContact N-O 3.24Å; F240-V255 PolarHBondContact O-N 2.91Å
256L96.5Very high95.9Very high0 Ų046.8 Ų46.80%022%0.222CC..EExtended strand (participates in β ladder)trans-101.7121165.7-57.8176000107.7P186 V187 G238 A239 L254 H263 Y267 L284P186-L256 CarbonylContact C-O 3.49Å; P186-L256 VanDerWaalsContact CA-O 3.27Å; P186-L256 WeakPolarHBondContact CA-O 3.26Å; V187-L256 HydrophobicContact CB-CB 4.33Å; V187-L256 PolarHBondContact N-O 2.83Å; V187-L256 PolarHBondContact O-N 2.97Å; G238-L256 CarbonylContact O-C 3.51Å; G238-L256 WeakPolarHBondContact O-CA 3.41Å; A239-L256 HydrophobicContact CB-CD2 3.92Å; L254-L256 HydrophobicContact CD2-CD2 4.12Å; L254-L256 HydrophobicContact CD2-CG 4.48Å; L254-L256 HydrophobicContact CG-CD2 4.26Å; L254-L256 HydrophobicContact CG-CG 4.5Å; L256-H263 HydrophobicContact CD1-CB 4.42Å; L256-Y267 HydrophobicContact CD1-CE1 4.32Å; L256-L284 HydrophobicContact CD1-CD2 3.85Å
257E95.8Very high96Very high121 Ų12146.8 Ų46.857%0.56522%0.222SC*.SBendtrans-67.7-38.8-176.2-172.2177-165.600112.7P186 G238 F240P186-E257 WeakPolarHBondContact CA-O 3.39Å; G238-E257 PolarHBondContact O-N 3.3Å; F240-E257 HydrophobicContact CE1-CB 4.39Å
258E95.4Very high96.1Very high98 Ų9843.4 Ų43.446%0.45821%0.207SC..SBendtrans-136109.3-179.8-66-177.4152.200110.8K260 H263E258-K260 PolarHBondContact O-N 2.59Å; E258-K260 WeakPolarHBondContact OE2-CE 3.2Å; E258-K260 IonicContact OE2-NZ 3.85Å; E258-K260 PolarHBondContact OE2-NZ 3.41Å; E258-H263 PolarHBondContact O-CE1 2.76Å; E258-H263 PolarHBondContact O-ND1 3.48Å
259A95.8Very high96.4Very high1 Ų137 Ų371%0.00818%0.176CC..  trans-59.2125.617000000112.1R182 G184 E185 V187 I286R182-A259 WeakPolarHBondContact O-CB 3.37Å; G184-A259 PolarHBondContact N-O 2.77Å; E185-A259 WeakPolarHBondContact O-CB 3.33Å; E185-A259 PolarHBondContact O-N 3.01Å; V187-A259 HydrophobicContact CG2-CB 3.93Å; A259-I286 HydrophobicContact CB-CD1 3.73Å; A259-I286 HydrophobicContact CB-CG1 4.45Å
260K95.1Very high96.5Very high57 Ų5729 Ų2925%0.24815%0.146CC..  trans-125.6149.1177.4-72153.3-173.9158.10108.9E258 R262 H263 I286E258-K260 PolarHBondContact O-N 2.59Å; E258-K260 WeakPolarHBondContact OE2-CE 3.2Å; E258-K260 IonicContact OE2-NZ 3.85Å; E258-K260 PolarHBondContact OE2-NZ 3.41Å; K260-R262 HydrophobicContact CB-CG 4.05Å; K260-R262 PolarHBondContact O-N 2.88Å; K260-H263 PolarHBondContact N-ND1 3.04Å; K260-H263 VanDerWaalsContact O-CB 3.26Å; K260-H263 WeakPolarHBondContact O-CB 3.42Å; K260-H263 PolarHBondContact O-N 2.76Å; K260-I286 WeakPolarHBondContact O-CG1 3.26Å
261V95Very high96.6Very high20 Ų2028.5 Ų28.512%0.12114%0.142CC..G310 helixtrans-52.2-36.2-175.1-176.50000112.4L183 H263 S264 A318 D351 T353L183-V261 HydrophobicContact CD1-CG2 3.79Å; V261-H263 PolarHBondContact O-N 3.3Å; V261-H263 VanDerWaalsContact O-N 3.17Å; V261-S264 WeakPolarHBondContact O-CB 3.44Å; V261-S264 PolarHBondContact O-N 2.67Å; V261-S264 VanDerWaalsContact O-N 3.07Å; V261-S264 PolarHBondContact O-OG 3.38Å; V261-A318 HydrophobicContact CG1-CB 3.99Å; V261-A318 HydrophobicContact CG2-CB 3.88Å; V261-D351 WeakPolarHBondContact CG2-O 3.32Å; V261-T353 HydrophobicContact CG2-CG2 3.88Å
262R92.1Very high96.6Very high123 Ų12327.5 Ų27.546%0.46414%0.135SC..G310 helixtrans-61.6-13.9174.970.1160.4-170.2-1024.7116.2Y212 E236 K260 S264Y212-R262 PolarHBondContact OH-O 2.79Å; Y212-R262 VanDerWaalsContact OH-O 3.04Å; E236-R262 IonicContact OE1-CZ 3.81Å; E236-R262 IonicContact OE1-NE 2.66Å; E236-R262 PolarHBondContact OE1-NE 2.9Å; E236-R262 IonicContact OE1-NH2 2.76Å; E236-R262 PolarHBondContact OE1-NH2 2.63Å; E236-R262 IonicContact OE2-NE 2.62Å; K260-R262 HydrophobicContact CB-CG 4.05Å; K260-R262 PolarHBondContact O-N 2.88Å; R262-S264 VanDerWaalsContact C-N 3.3Å
263H94.5Very high96.5Very high2 Ų227.8 Ų27.81%0.00914%0.137CC..G310 helixtrans-85.1-3.3175.3-59.1153.6000111.9E236 L256 E258 K260 V261 G265 Y267 L284 I286E236-H263 IonicContact OE1-CD2 3.88Å; E236-H263 IonicContact OE1-CE1 3.82Å; E236-H263 IonicContact OE1-NE2 2.65Å; E236-H263 PolarHBondContact OE1-NE2 2.88Å; E236-H263 IonicContact OE2-NE2 3.72Å; E236-H263 PolarHBondContact OE2-NE2 2.84Å; L256-H263 HydrophobicContact CD1-CB 4.42Å; E258-H263 PolarHBondContact O-CE1 2.76Å; E258-H263 PolarHBondContact O-ND1 3.48Å; K260-H263 PolarHBondContact N-ND1 3.04Å; K260-H263 VanDerWaalsContact O-CB 3.26Å; K260-H263 WeakPolarHBondContact O-CB 3.42Å; K260-H263 PolarHBondContact O-N 2.76Å; V261-H263 PolarHBondContact O-N 3.3Å; V261-H263 VanDerWaalsContact O-N 3.17Å; H263-G265 PolarHBondContact O-N 2.84Å; H263-Y267 WeakPolarHBondContact CB-OH 3.28Å; H263-Y267 VanDerWaalsContact O-CE2 3.31Å; H263-Y267 WeakPolarHBondContact O-CE2 3.29Å; H263-L284 HydrophobicContact CB-CD2 4.29Å; H263-I286 HydrophobicContact CB-CG1 4.48Å
264S95.5Very high96.3Very high30 Ų3027.6 Ų27.621%0.2114%0.135CC..  trans-72.8118.1175.6-49.60000111.2Y212 V261 R262 L284 I286Y212-S264 PolarHBondContact OH-O 3.1Å; V261-S264 WeakPolarHBondContact O-CB 3.44Å; V261-S264 PolarHBondContact O-N 2.67Å; V261-S264 VanDerWaalsContact O-N 3.07Å; V261-S264 PolarHBondContact O-OG 3.38Å; R262-S264 VanDerWaalsContact C-N 3.3Å; S264-L284 CarbonylContact C-O 3.54Å; S264-L284 VanDerWaalsContact CA-O 3.23Å; S264-L284 WeakPolarHBondContact CA-O 3.44Å; S264-I286 WeakPolarHBondContact OG-CB 3.39Å; S264-I286 PolarHBondContact OG-N 3.06Å; S264-I286 VanDerWaalsContact OG-N 3.12Å
265G95.8Very high96.1Very high10 Ų1028.1 Ų28.110%0.10314%0.137CC..EExtended strand (participates in β ladder)trans156.9-168.8179.500000113.1H263 L284H263-G265 PolarHBondContact O-N 2.84Å; G265-L284 PolarHBondContact N-O 3.1Å; G265-L284 PolarHBondContact O-N 2.93Å
266T97.4Very high96.1Very high36 Ų3627 Ų2722%0.22113%0.13CC..EExtended strand (participates in β ladder)trans-82.3128.2-177.6-39.80000110.5Q213 A281 M282 E283Q213-T266 PolarHBondContact N-O 3.21Å; Q213-T266 PolarHBondContact O-N 3.16Å; T266-A281 HydrophobicContact CG2-CB 4.19Å; T266-M282 CarbonylContact C-O 3.56Å; T266-M282 WeakPolarHBondContact CA-O 3.47Å; T266-E283 WeakPolarHBondContact CB-OE1 3.21Å; T266-E283 WeakPolarHBondContact CG2-OE1 3.45Å; T266-E283 PolarHBondContact OG1-OE1 2.84Å
267Y97.6Very high96.1Very high1 Ų129.9 Ų29.90%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-106.9141.5167.6-74.3-105000109.7L189 W210 R211 Y212 V221 L254 L256 H263 A281 M282 L284L189-Y267 HydrophobicContact CD1-CD1 3.82Å; L189-Y267 HydrophobicContact CD1-CD2 3.78Å; L189-Y267 HydrophobicContact CD1-CE1 4.4Å; L189-Y267 HydrophobicContact CD1-CE2 4.37Å; L189-Y267 HydrophobicContact CD1-CG 3.48Å; L189-Y267 VanDerWaalsContact CD1-CG 3.48Å; W210-Y267 HydrophobicContact CE3-CD1 4.37Å; R211-Y267 CarbonylContact O-C 3.6Å; R211-Y267 WeakPolarHBondContact O-CA 3.18Å; Y212-Y267 HydrophobicContact CD2-CD2 4.06Å; Y212-Y267 HydrophobicContact CD2-CE1 4.17Å; Y212-Y267 AromaticContact CD2-CE2 3.55Å; Y212-Y267 HydrophobicContact CD2-CE2 3.55Å; Y212-Y267 AromaticContact CD2-CZ 3.61Å; Y212-Y267 AromaticContact CE2-CE2 4Å; Y212-Y267 HydrophobicContact CE2-CE2 4Å; V221-Y267 HydrophobicContact CG2-CD1 4.5Å; V221-Y267 HydrophobicContact CG2-CE1 4.1Å; L254-Y267 HydrophobicContact CD2-CD1 3.77Å; L254-Y267 HydrophobicContact CD2-CE1 3.85Å; L256-Y267 HydrophobicContact CD1-CE1 4.32Å; H263-Y267 WeakPolarHBondContact CB-OH 3.28Å; H263-Y267 VanDerWaalsContact O-CE2 3.31Å; H263-Y267 WeakPolarHBondContact O-CE2 3.29Å; Y267-A281 CarbonylContact O-C 3.53Å; Y267-A281 WeakPolarHBondContact O-CA 3.47Å; Y267-M282 PolarHBondContact N-O 3.4Å; Y267-M282 PolarHBondContact O-N 2.62Å; Y267-L284 HydrophobicContact CD2-CB 4.02Å; Y267-L284 HydrophobicContact CE2-CB 3.93Å; Y267-L284 HydrophobicContact CE2-CD2 3.81Å; Y267-L284 HydrophobicContact CE2-CG 4.47Å
268I97.9Very high96.2Very high22 Ų2224.4 Ų24.411%0.11312%0.121CC..EExtended strand (participates in β ladder)trans-123.1117.3179.2-53.8173.7000107.6W210 R211 Q279 V280 A281W210-I268 WeakPolarHBondContact CA-O 3.48Å; R211-I268 HydrophobicContact CB-CB 4.42Å; R211-I268 PolarHBondContact N-O 3.44Å; R211-I268 PolarHBondContact O-N 3.04Å; I268-Q279 HydrophobicContact CG2-CB 3.95Å; I268-Q279 HydrophobicContact CG2-CG 4.47Å; I268-V280 WeakPolarHBondContact CA-O 3.18Å; I268-A281 HydrophobicContact CG1-CB 4.18Å
269C98.4Very high96.3Very high0 Ų024.8 Ų24.80%012%0.122CC..EExtended strand (participates in β ladder)trans-91.9119.1168.8-178.40000108.4C191 W210 Q279 V280C191-C269 HydrophobicContact CB-CB 3.73Å; C191-C269 WeakPolarHBondContact CB-SG 3.38Å; C191-C269 WeakPolarHBondContact SG-CB 3.44Å; C191-C269 CovalentContact SG-SG 2.04Å; C191-C269 PolarHBondContact SG-SG 3.37Å; W210-C269 HydrophobicContact CD2-CB 4.02Å; W210-C269 HydrophobicContact CE3-CB 4Å; W210-C269 HydrophobicContact CH2-CB 3.66Å; W210-C269 HydrophobicContact CZ2-CB 3.63Å; W210-C269 HydrophobicContact CZ3-CB 3.81Å; C269-Q279 CarbonylContact O-C 3.59Å; C269-Q279 WeakPolarHBondContact O-CA 3.34Å; C269-V280 HydrophobicContact CB-CG1 3.98Å; C269-V280 PolarHBondContact N-O 3.45Å; C269-V280 PolarHBondContact O-N 2.95Å
270T98.2Very high96.4Very high2 Ų225 Ų251%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-118.3129.8177.3-55.70000109.3E209 Y272 L277 A278 Q279E209-T270 PolarHBondContact N-O 2.85Å; E209-T270 PolarHBondContact O-N 2.83Å; T270-Y272 HydrophobicContact CG2-CD2 4.18Å; T270-Y272 HydrophobicContact CG2-CE1 4.09Å; T270-Y272 HydrophobicContact CG2-CE2 3.58Å; T270-L277 HydrophobicContact CG2-CB 4.39Å; T270-L277 HydrophobicContact CG2-CD1 4.42Å; T270-A278 WeakPolarHBondContact CA-O 3.33Å; T270-A278 WeakPolarHBondContact CG2-O 3.34Å; T270-Q279 HydrophobicContact CG2-CB 4.23Å; T270-Q279 WeakPolarHBondContact OG1-CB 3.33Å
271I98.1Very high96.4Very high0 Ų024.6 Ų24.60%013%0.131CC..EExtended strand (participates in β ladder)trans-112.7127174.8-53-65.6000108.4L170 I172 F193 V208 A252 L277 A278L170-I271 HydrophobicContact CD1-CG2 4.28Å; I172-I271 HydrophobicContact CD1-CB 3.68Å; I172-I271 HydrophobicContact CD1-CG1 3.61Å; I172-I271 HydrophobicContact CG1-CB 4.14Å; I172-I271 HydrophobicContact CG1-CG1 3.91Å; F193-I271 HydrophobicContact CB-CG1 3.99Å; F193-I271 HydrophobicContact CB-CG2 4.43Å; F193-I271 HydrophobicContact CD1-CD1 3.66Å; F193-I271 HydrophobicContact CD1-CG1 3.89Å; F193-I271 HydrophobicContact CD1-CG2 4.1Å; F193-I271 HydrophobicContact CD2-CG2 3.92Å; F193-I271 HydrophobicContact CE1-CD1 4.08Å; F193-I271 HydrophobicContact CE1-CG2 4.34Å; F193-I271 HydrophobicContact CE2-CG2 4.18Å; F193-I271 HydrophobicContact CG-CB 4.48Å; F193-I271 HydrophobicContact CG-CD1 4.3Å; F193-I271 HydrophobicContact CG-CG1 4.02Å; F193-I271 HydrophobicContact CG-CG2 3.89Å; F193-I271 HydrophobicContact CZ-CG2 4.39Å; V208-I271 HydrophobicContact CB-CD1 4.24Å; V208-I271 HydrophobicContact CG1-CD1 4.01Å; V208-I271 HydrophobicContact CG2-CD1 3.83Å; A252-I271 HydrophobicContact CB-CD1 3.66Å; I271-L277 WeakPolarHBondContact O-CA 3.22Å; I271-A278 PolarHBondContact N-O 3.4Å; I271-A278 PolarHBondContact O-N 3.14Å; I271-A278 VanDerWaalsContact O-N 3.15Å
272Y97.7Very high96.5Very high18 Ų1823.8 Ų23.87%0.07113%0.126CC..EExtended strand (participates in β ladder)trans-105.1135.7177.8-61.5-88.8000110.5L119 V122 F206 A207 E209 T270 L277L119-Y272 HydrophobicContact CD1-CE1 4.34Å; L119-Y272 HydrophobicContact CD1-CE2 4.41Å; L119-Y272 VanDerWaalsContact CD1-OH 3.25Å; L119-Y272 WeakPolarHBondContact CD1-OH 3.46Å; V122-Y272 HydrophobicContact CG1-CD1 3.98Å; V122-Y272 HydrophobicContact CG1-CD2 4.37Å; V122-Y272 HydrophobicContact CG1-CG 3.75Å; V122-Y272 HydrophobicContact CG2-CD1 4.35Å; V122-Y272 HydrophobicContact CG2-CD2 3.82Å; V122-Y272 HydrophobicContact CG2-CE2 4.05Å; V122-Y272 HydrophobicContact CG2-CG 3.99Å; F206-Y272 CarbonylContact C-O 3.55Å; F206-Y272 VanDerWaalsContact CA-O 3.28Å; F206-Y272 WeakPolarHBondContact CA-O 3.49Å; A207-Y272 HydrophobicContact CB-CD2 4.5Å; A207-Y272 PolarHBondContact N-O 2.88Å; A207-Y272 PolarHBondContact O-N 3.35Å; E209-Y272 HydrophobicContact CB-CE2 3.77Å; T270-Y272 HydrophobicContact CG2-CD2 4.18Å; T270-Y272 HydrophobicContact CG2-CE1 4.09Å; T270-Y272 HydrophobicContact CG2-CE2 3.58Å; Y272-L277 HydrophobicContact CD1-CB 3.71Å; Y272-L277 HydrophobicContact CD1-CD2 4.38Å; Y272-L277 HydrophobicContact CE1-CB 3.89Å; Y272-L277 HydrophobicContact CE1-CD2 3.9Å; Y272-L277 HydrophobicContact CE1-CG 4.49Å
273L95.9Very high96.7Very high7 Ų722 Ų224%0.03712%0.123CC..EExtended strand (participates in β ladder)trans-117.2171.6162-63.6178.2000107.7L170 V195 F206 Y275 L276L170-L273 HydrophobicContact CB-CD1 3.99Å; L170-L273 HydrophobicContact CD1-CD1 4.13Å; L170-L273 HydrophobicContact CD2-CD1 4.21Å; L170-L273 HydrophobicContact CD2-CG 4.37Å; L170-L273 HydrophobicContact CG-CD1 4.33Å; V195-L273 HydrophobicContact CB-CD1 4.49Å; V195-L273 HydrophobicContact CG1-CD1 3.67Å; V195-L273 HydrophobicContact CG1-CD2 4.42Å; V195-L273 HydrophobicContact CG2-CD1 4.02Å; V195-L273 HydrophobicContact CG2-CD2 4Å; F206-L273 HydrophobicContact CB-CD2 3.91Å; L273-Y275 PolarHBondContact O-N 3.03Å; L273-L276 HydrophobicContact CB-CB 4.28Å; L273-L276 PolarHBondContact N-O 2.87Å; L273-L276 PolarHBondContact O-N 2.81Å
274P94.4Very high96.9Very high4 Ų422.1 Ų22.13%0.02612%0.123CC..THydrogen-bonded Turntrans-55120.1172-21.129.6000110.6L125 T126 L201 L276L125-P274 HydrophobicContact CB-CG 4.26Å; L125-P274 WeakPolarHBondContact O-CB 3.22Å; T126-P274 HydrophobicContact CG2-CB 4.38Å; L201-P274 HydrophobicContact CD2-CB 4.1Å; L201-P274 HydrophobicContact CD2-CG 4.37Å; P274-L276 PolarHBondContact O-N 2.87Å; P274-L276 VanDerWaalsContact O-N 3.11Å
275Y94.6Very high96.9Very high12 Ų1223.5 Ų23.55%0.04713%0.127CC..THydrogen-bonded Turntrans65.3-2.5-179.8-49.7-89.6000117.2P114 Q115 P116 T126 L130 P132 L135 L273P114-Y275 CarbonylContact C-O 3.57Å; P114-Y275 VanDerWaalsContact CA-O 3.24Å; P114-Y275 WeakPolarHBondContact CA-O 3.29Å; Q115-Y275 PolarHBondContact N-O 3.25Å; Q115-Y275 CarbonylContact O-C 3.53Å; Q115-Y275 WeakPolarHBondContact O-CA 3.29Å; P116-Y275 HydrophobicContact CB-CD1 4.29Å; P116-Y275 HydrophobicContact CB-CE1 4.17Å; P116-Y275 HydrophobicContact CG-CE1 4.39Å; T126-Y275 HydrophobicContact CG2-CD1 4.31Å; T126-Y275 HydrophobicContact CG2-CD2 4.08Å; T126-Y275 HydrophobicContact CG2-CE1 4.08Å; T126-Y275 HydrophobicContact CG2-CE2 3.85Å; T126-Y275 HydrophobicContact CG2-CG 4.3Å; L130-Y275 PolarHBondContact O-OH 3.28Å; P132-Y275 VanDerWaalsContact CD-CE2 3.43Å; P132-Y275 HydrophobicContact CG-CE2 4.2Å; L135-Y275 HydrophobicContact CD1-CD1 4.09Å; L135-Y275 HydrophobicContact CD1-CD2 3.68Å; L135-Y275 HydrophobicContact CD1-CE2 4.39Å; L135-Y275 HydrophobicContact CD1-CG 3.52Å; L273-Y275 PolarHBondContact O-N 3.03Å
276L96.2Very high97Very high4 Ų423 Ų232%0.02112%0.122CC..EExtended strand (participates in β ladder)trans-121.7148.9-179.4-46.4-179.2000111.1F112 P114 L135 W139 I156 I169 L201 L273 P274F112-L276 HydrophobicContact CD1-CD2 4.42Å; F112-L276 HydrophobicContact CE1-CD2 3.74Å; P114-L276 HydrophobicContact CB-CD2 3.99Å; P114-L276 HydrophobicContact CG-CD2 4Å; L135-L276 HydrophobicContact CD2-CD2 4.45Å; W139-L276 HydrophobicContact CD2-CD2 4.42Å; W139-L276 HydrophobicContact CE3-CD1 4.48Å; W139-L276 HydrophobicContact CE3-CD2 3.97Å; W139-L276 HydrophobicContact CH2-CD1 3.9Å; W139-L276 HydrophobicContact CH2-CD2 4.03Å; W139-L276 HydrophobicContact CZ3-CD1 3.59Å; W139-L276 HydrophobicContact CZ3-CD2 3.75Å; W139-L276 HydrophobicContact CZ3-CG 4.35Å; I156-L276 HydrophobicContact CG2-CD1 4.13Å; I156-L276 HydrophobicContact CG2-CD2 4.23Å; I169-L276 HydrophobicContact CG2-CD1 4.04Å; L201-L276 HydrophobicContact CD1-CD1 3.5Å; L201-L276 HydrophobicContact CD1-CG 4.08Å; L273-L276 HydrophobicContact CB-CB 4.28Å; L273-L276 PolarHBondContact N-O 2.87Å; L273-L276 PolarHBondContact O-N 2.81Å; P274-L276 PolarHBondContact O-N 2.87Å; P274-L276 VanDerWaalsContact O-N 3.11Å
277L96.8Very high97Very high59 Ų5922 Ų2231%0.30912%0.115SC..EExtended strand (participates in β ladder)trans-143.7145.9167.169.792.2000109.7F112 I156 T270 I271 Y272F112-L277 HydrophobicContact CE2-CG 4.43Å; I156-L277 VanDerWaalsContact CD1-O 3.29Å; I156-L277 WeakPolarHBondContact CD1-O 3.23Å; I156-L277 VanDerWaalsContact CG1-O 3.29Å; I156-L277 WeakPolarHBondContact CG1-O 3.44Å; T270-L277 HydrophobicContact CG2-CB 4.39Å; T270-L277 HydrophobicContact CG2-CD1 4.42Å; I271-L277 WeakPolarHBondContact O-CA 3.22Å; Y272-L277 HydrophobicContact CD1-CB 3.71Å; Y272-L277 HydrophobicContact CD1-CD2 4.38Å; Y272-L277 HydrophobicContact CE1-CB 3.89Å; Y272-L277 HydrophobicContact CE1-CD2 3.9Å; Y272-L277 HydrophobicContact CE1-CG 4.49Å
278A97.5Very high97Very high6 Ų623.8 Ų23.85%0.0512%0.124CC..EExtended strand (participates in β ladder)trans-128.1160160.900000108.7I156 L170 I172 T270 I271I156-A278 HydrophobicContact CG1-CB 4.16Å; L170-A278 HydrophobicContact CD2-CB 3.88Å; L170-A278 HydrophobicContact CG-CB 4.32Å; I172-A278 HydrophobicContact CD1-CB 3.4Å; I172-A278 VanDerWaalsContact CD1-CB 3.4Å; I172-A278 WeakPolarHBondContact CD1-O 3.38Å; I172-A278 HydrophobicContact CG1-CB 3.95Å; T270-A278 WeakPolarHBondContact CA-O 3.33Å; T270-A278 WeakPolarHBondContact CG2-O 3.34Å; I271-A278 PolarHBondContact N-O 3.4Å; I271-A278 PolarHBondContact O-N 3.14Å; I271-A278 VanDerWaalsContact O-N 3.15Å
279Q97.4Very high97Very high106 Ų10623 Ų2350%0.49512%0.12SC..EExtended strand (participates in β ladder)trans-144.6146.2179.365.8-174.17.600111.4S154 I268 C269 T270S154-Q279 VanDerWaalsContact CB-O 3.28Å; S154-Q279 WeakPolarHBondContact CB-O 3.45Å; S154-Q279 PolarHBondContact OG-O 2.82Å; I268-Q279 HydrophobicContact CG2-CB 3.95Å; I268-Q279 HydrophobicContact CG2-CG 4.47Å; C269-Q279 CarbonylContact O-C 3.59Å; C269-Q279 WeakPolarHBondContact O-CA 3.34Å; T270-Q279 HydrophobicContact CG2-CB 4.23Å; T270-Q279 WeakPolarHBondContact OG1-CB 3.33Å
280V97.5Very high96.9Very high5 Ų523.2 Ų23.23%0.0312%0.121CC..EExtended strand (participates in β ladder)trans-125.7135.717165.30000109.6I172 M177 I268 C269 M282I172-V280 HydrophobicContact CG2-CB 4.36Å; I172-V280 HydrophobicContact CG2-CG1 3.75Å; M177-V280 HydrophobicContact CE-CG2 4.09Å; M177-V280 HydrophobicContact SD-CG2 3.77Å; I268-V280 WeakPolarHBondContact CA-O 3.18Å; C269-V280 HydrophobicContact CB-CG1 3.98Å; C269-V280 PolarHBondContact N-O 3.45Å; C269-V280 PolarHBondContact O-N 2.95Å; V280-M282 HydrophobicContact CG1-SD 4.36Å
281A96.8Very high96.9Very high50 Ų5026.9 Ų26.941%0.41315%0.147SC..EExtended strand (participates in β ladder)trans-109137.5-178.600000111M177 T266 Y267 I268M177-A281 WeakPolarHBondContact CE-O 3.32Å; T266-A281 HydrophobicContact CG2-CB 4.19Å; Y267-A281 CarbonylContact O-C 3.53Å; Y267-A281 WeakPolarHBondContact O-CA 3.47Å; I268-A281 HydrophobicContact CG1-CB 4.18Å
282M96.5Very high96.9Very high2 Ų228.6 Ų28.61%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-140.3142.2-167.8-59.1154.864.600109.4S174 T176 M177 L189 D190 W210 T266 Y267 V280S174-M282 WeakPolarHBondContact OG-CE 3.4Å; S174-M282 PolarHBondContact OG-SD 2.86Å; S174-M282 VanDerWaalsContact OG-SD 3.39Å; T176-M282 WeakPolarHBondContact O-CE 3.08Å; T176-M282 WeakPolarHBondContact OG1-CE 3.42Å; M177-M282 WeakPolarHBondContact O-CA 3.3Å; M177-M282 HydrophobicContact SD-CG 4.22Å; L189-M282 HydrophobicContact CB-CE 3.6Å; L189-M282 HydrophobicContact CD2-CE 4.23Å; L189-M282 HydrophobicContact CG-CE 4.39Å; D190-M282 WeakPolarHBondContact O-CE 3.32Å; W210-M282 HydrophobicContact CH2-CE 4.14Å; W210-M282 HydrophobicContact CH2-SD 3.73Å; W210-M282 HydrophobicContact CZ3-SD 4.03Å; T266-M282 CarbonylContact C-O 3.56Å; T266-M282 WeakPolarHBondContact CA-O 3.47Å; Y267-M282 PolarHBondContact N-O 3.4Å; Y267-M282 PolarHBondContact O-N 2.62Å; V280-M282 HydrophobicContact CG1-SD 4.36Å
283E96.9Very high96.9Very high87 Ų8729.4 Ų29.441%0.40717%0.165SC..EExtended strand (participates in β ladder)trans-100.2129.2179.3-72-62.3147.500111.9M177 S178 A179 T266M177-E283 PolarHBondContact O-N 2.88Å; S178-E283 CarbonylContact C-O 3.58Å; S178-E283 WeakPolarHBondContact CA-O 3.15Å; A179-E283 PolarHBondContact N-O 2.89Å; T266-E283 WeakPolarHBondContact CB-OE1 3.21Å; T266-E283 WeakPolarHBondContact CG2-OE1 3.45Å; T266-E283 PolarHBondContact OG1-OE1 2.84Å
284L97.3Very high97Very high3 Ų329.6 Ų29.62%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-110.8127170.2178.157.1000110.1A179 V187 L256 H263 S264 G265 Y267 I286A179-L284 HydrophobicContact CB-CD1 3.99Å; V187-L284 HydrophobicContact CG1-CD1 3.84Å; V187-L284 HydrophobicContact CG1-CD2 4.19Å; L256-L284 HydrophobicContact CD1-CD2 3.85Å; H263-L284 HydrophobicContact CB-CD2 4.29Å; S264-L284 CarbonylContact C-O 3.54Å; S264-L284 VanDerWaalsContact CA-O 3.23Å; S264-L284 WeakPolarHBondContact CA-O 3.44Å; G265-L284 PolarHBondContact N-O 3.1Å; G265-L284 PolarHBondContact O-N 2.93Å; Y267-L284 HydrophobicContact CD2-CB 4.02Å; Y267-L284 HydrophobicContact CE2-CB 3.93Å; Y267-L284 HydrophobicContact CE2-CD2 3.81Å; Y267-L284 HydrophobicContact CE2-CG 4.47Å; L284-I286 HydrophobicContact CD1-CD1 3.98Å; L284-I286 HydrophobicContact CD2-CD1 4.2Å; L284-I286 HydrophobicContact CG-CD1 3.97Å
285E96.6Very high97.1Very high59 Ų5934.5 Ų34.528%0.27619%0.188SC..EExtended strand (participates in β ladder)trans-119.8120.8173.9-169.8-174.4-143.700110.6A179 K180 S181 V287 P319A179-E285 PolarHBondContact O-N 2.98Å; K180-E285 WeakPolarHBondContact CA-O 3.17Å; K180-E285 VanDerWaalsContact CE-OE2 3.23Å; K180-E285 WeakPolarHBondContact CE-OE2 3.19Å; K180-E285 HydrophobicContact CG-CB 4.44Å; K180-E285 IonicContact NZ-OE2 2.68Å; K180-E285 PolarHBondContact NZ-OE2 2.82Å; S181-E285 PolarHBondContact N-O 3.18Å; E285-V287 HydrophobicContact CB-CG2 4.34Å; E285-V287 HydrophobicContact CG-CG2 3.74Å; E285-P319 HydrophobicContact CG-CG 4.24Å; E285-P319 WeakPolarHBondContact OE1-CG 3.25Å
286I97.5Very high97.1Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-87.2116.3174-54.4-45.7000109.4S181 L183 A259 K260 H263 S264 L284 A318 P319S181-I286 CarbonylContact O-C 3.52Å; S181-I286 WeakPolarHBondContact O-CA 3.27Å; L183-I286 HydrophobicContact CD1-CG2 4.29Å; A259-I286 HydrophobicContact CB-CD1 3.73Å; A259-I286 HydrophobicContact CB-CG1 4.45Å; K260-I286 WeakPolarHBondContact O-CG1 3.26Å; H263-I286 HydrophobicContact CB-CG1 4.48Å; S264-I286 WeakPolarHBondContact OG-CB 3.39Å; S264-I286 PolarHBondContact OG-N 3.06Å; S264-I286 VanDerWaalsContact OG-N 3.12Å; L284-I286 HydrophobicContact CD1-CD1 3.98Å; L284-I286 HydrophobicContact CD2-CD1 4.2Å; L284-I286 HydrophobicContact CG-CD1 3.97Å; I286-A318 CarbonylContact O-C 3.55Å; I286-P319 WeakPolarHBondContact O-CD 3.27Å
287V97.8Very high96.9Very high14 Ų1440.6 Ų40.69%0.08523%0.231CC..  trans-119.499.9-171.5-175.20000110.7K180 S181 E285 A318 A382 G383K180-V287 HydrophobicContact CD-CG2 4.23Å; S181-V287 PolarHBondContact O-N 3.25Å; E285-V287 HydrophobicContact CB-CG2 4.34Å; E285-V287 HydrophobicContact CG-CG2 3.74Å; V287-A318 CarbonylContact C-O 3.56Å; V287-A318 VanDerWaalsContact CA-O 3.28Å; V287-A318 WeakPolarHBondContact CA-O 3.32Å; V287-A382 HydrophobicContact CG1-CB 4.07Å; V287-G383 VanDerWaalsContact CG1-CA 3.42Å; V287-G383 VanDerWaalsContact CG1-N 3.29Å
288E97.6Very high96.6Very high39 Ų3942.9 Ų42.918%0.18225%0.25CC..BIsolated β-bridgetrans-112.1120.5173.4-165.357.2-133.700110.5R182 L183 F317 A318 H381R182-E288 WeakPolarHBondContact CB-OE2 3.41Å; L183-E288 HydrophobicContact CB-CB 4.33Å; L183-E288 HydrophobicContact CB-CG 4.28Å; L183-E288 PolarHBondContact N-OE2 2.8Å; E288-F317 CarbonylContact O-C 3.56Å; E288-F317 WeakPolarHBondContact O-CA 3.44Å; E288-F317 WeakPolarHBondContact O-CB 3.47Å; E288-A318 PolarHBondContact N-O 3.4Å; E288-A318 PolarHBondContact O-N 2.94Å; E288-H381 PolarHBondContact O-CE1 2.73Å
289P97.1Very high96.2Very high6 Ų643.5 Ų43.54%0.03925%0.252CS..PPolyproline II helixtrans-75.4151.8178.730.3-37.2000113.1R386P289-R386 HydrophobicContact CB-CG 4.3Å
290P97.6Very high95.7Very high4 Ų441.3 Ų41.33%0.02625%0.247CC..PPolyproline II helixtrans-67.4142.9-176.227.1-35.9000114.1L292 A314 F317 L322 A379 R386P290-L292 HydrophobicContact CB-CD2 4.22Å; P290-L292 HydrophobicContact CG-CD2 4.4Å; P290-A314 HydrophobicContact CB-CB 3.97Å; P290-F317 HydrophobicContact CB-CB 3.89Å; P290-F317 HydrophobicContact CB-CD1 4.08Å; P290-F317 HydrophobicContact CB-CG 4.28Å; P290-F317 HydrophobicContact CG-CB 4.45Å; P290-L322 HydrophobicContact CB-CD2 4.37Å; P290-L322 HydrophobicContact CG-CD1 3.86Å; P290-L322 HydrophobicContact CG-CD2 4.31Å; P290-A379 HydrophobicContact CG-CB 4Å; P290-R386 HydrophobicContact CG-CB 4.38Å; P290-R386 HydrophobicContact CG-CG 4.22Å
291S97.3Very high95.2Very high79 Ų7946.2 Ų46.255%0.55227%0.272SS*.EExtended strand (participates in β ladder)trans-78.7134.1155.1-68.80000109.4A314 S315S291-A314 CarbonylContact O-C 3.58Å; S291-A314 VanDerWaalsContact O-CA 3.32Å; S291-A314 WeakPolarHBondContact O-CA 3.48Å; S291-S315 PolarHBondContact N-O 2.84Å; S291-S315 PolarHBondContact O-N 3.18Å
292L98.1Very high94.6Very high36 Ų3643.8 Ų43.819%0.18825%0.253CS..EExtended strand (participates in β ladder)trans-114.9135-177.7-64.4-175.3000111.8P290 E313 A314 L324 A379 R386 A388P290-L292 HydrophobicContact CB-CD2 4.22Å; P290-L292 HydrophobicContact CG-CD2 4.4Å; L292-E313 WeakPolarHBondContact CA-O 3.27Å; L292-A314 HydrophobicContact CD2-CB 3.51Å; L292-L324 HydrophobicContact CD2-CD2 4.45Å; L292-A379 HydrophobicContact CD1-CB 3.79Å; L292-A379 HydrophobicContact CD2-CB 3.71Å; L292-A379 HydrophobicContact CG-CB 4.24Å; L292-R386 HydrophobicContact CD1-CB 3.81Å; L292-R386 HydrophobicContact CG-CB 4.16Å; L292-A388 HydrophobicContact CB-CB 3.66Å; L292-A388 HydrophobicContact CD1-CB 4.29Å
293S97.5Very high93.9Very high36 Ų3647.1 Ų47.125%0.25227%0.273SS..EExtended strand (participates in β ladder)trans-133.7146.5168.162.70000110.9H295 C312 E313S293-H295 WeakPolarHBondContact CB-NE2 3.44Å; S293-H295 PolarHBondContact OG-NE2 2.89Å; S293-C312 CarbonylContact O-C 3.6Å; S293-C312 WeakPolarHBondContact O-CA 3.46Å; S293-E313 PolarHBondContact N-O 2.85Å; S293-E313 PolarHBondContact O-N 2.87Å
294I97.8Very high93Very high11 Ų1147 Ų476%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-113.3135.7173.8-64.1169.5000108.3S297 Q311 C312 W326 C377 A388 V390I294-S297 WeakPolarHBondContact O-CB 3.32Å; I294-Q311 CarbonylContact C-O 3.59Å; I294-Q311 WeakPolarHBondContact CA-O 3.43Å; I294-C312 HydrophobicContact CG1-CB 4.44Å; I294-W326 HydrophobicContact CD1-CZ3 3.98Å; I294-W326 HydrophobicContact CG1-CH2 4.29Å; I294-W326 HydrophobicContact CG1-CZ3 4.16Å; I294-W326 HydrophobicContact CG2-CH2 4.12Å; I294-W326 HydrophobicContact CG2-CZ3 4.21Å; I294-C377 HydrophobicContact CD1-CB 3.86Å; I294-C377 HydrophobicContact CG1-CB 4.01Å; I294-A388 HydrophobicContact CD1-CB 4.22Å; I294-A388 VanDerWaalsContact CD1-O 3.27Å; I294-A388 WeakPolarHBondContact CD1-O 3.12Å; I294-A388 HydrophobicContact CG1-CB 4.35Å; I294-V390 HydrophobicContact CB-CG1 4.44Å; I294-V390 HydrophobicContact CD1-CG1 4.22Å; I294-V390 HydrophobicContact CG2-CB 4.47Å; I294-V390 HydrophobicContact CG2-CG1 3.8Å
295H96.5Very high92.1Very high106 Ų10649.2 Ų49.249%0.49130%0.304SS..EExtended strand (participates in β ladder)trans-127.5137.8-179.8-62-78.8000110.6S293 Q311S293-H295 WeakPolarHBondContact CB-NE2 3.44Å; S293-H295 PolarHBondContact OG-NE2 2.89Å; H295-Q311 PolarHBondContact N-O 2.8Å; H295-Q311 PolarHBondContact O-N 2.84Å
296P95.3Very high91.6Very high59 Ų5949.8 Ų49.838%0.38331%0.306SS..SBendcis-67158.8-7.329.4-34.1000112.3L299P296-L299 HydrophobicContact CG-CD2 4.07Å; P296-L299 WeakPolarHBondContact O-CD2 3.32Å
297S91.1Very high91.3Very high85 Ų8553.7 Ų53.759%0.59433%0.33SS*.SBendtrans-143.2124.1170.4-177.20000109.5I294I294-S297 WeakPolarHBondContact O-CB 3.32Å
298P90.4Very high91Very high108 Ų10853.5 Ų53.570%0.70133%0.328SS*.SBendcis-64.2162.8-5.630.7-36.8000112.4
299L89.6Confident90.8Very high18 Ų1855.5 Ų55.59%0.09434%0.34CS..PPolyproline II helixtrans-68.8147173.1-67.1-174.6000111.4P296 L310 V390 L392P296-L299 HydrophobicContact CG-CD2 4.07Å; P296-L299 WeakPolarHBondContact O-CD2 3.32Å; L299-L310 HydrophobicContact CD1-CD2 4.33Å; L299-L310 HydrophobicContact CD2-CD2 3.38Å; L299-V390 HydrophobicContact CD1-CG1 3.7Å; L299-V390 HydrophobicContact CD2-CG1 4.13Å; L299-V390 HydrophobicContact CG-CB 4.44Å; L299-V390 HydrophobicContact CG-CG1 3.75Å; L299-V390 HydrophobicContact CG-CG2 3.83Å; L299-L392 HydrophobicContact CD1-CB 4.05Å; L299-L392 HydrophobicContact CD1-CD1 3.89Å
300P87.7Confident90.8Very high61 Ų6155.2 Ų55.240%0.39634%0.339SS..PPolyproline II helixtrans-63.4153168.429.7-35.7000110.6A302 L308P300-A302 PolarHBondContact O-N 2.61Å; P300-L308 HydrophobicContact CG-CD2 4.05Å
301L86.1Confident90.8Very high107 Ų10757 Ų5756%0.5635%0.347SS*.PPolyproline II helixtrans-58.9121.7170-77.7167.1000109.9N393 I395L301-N393 HydrophobicContact CD2-CB 3.72Å; L301-I395 HydrophobicContact CB-CD1 3.88Å; L301-I395 HydrophobicContact CB-CG1 3.91Å; L301-I395 HydrophobicContact CD2-CG1 4.5Å
302A83.6Confident90.8Very high0 Ų053.2 Ų53.20%032%0.32CS..BIsolated β-bridgetrans-89134.5-173.900000111.6P300 L308 T364 L392 N393 V394 I395P300-A302 PolarHBondContact O-N 2.61Å; A302-L308 HydrophobicContact CB-CD1 4.02Å; A302-T364 HydrophobicContact CB-CG2 4.08Å; A302-L392 HydrophobicContact CB-CD1 3.76Å; A302-N393 PolarHBondContact N-O 3.36Å; A302-V394 HydrophobicContact CB-CG2 4.29Å; A302-V394 CarbonylContact O-C 3.48Å; A302-V394 WeakPolarHBondContact O-CA 3.36Å; A302-I395 PolarHBondContact O-N 3.39Å
303V82.3Confident90.8Very high72 Ų7253.9 Ų53.944%0.43632%0.322SS..PPolyproline II helixtrans-90140.3169-176.20000109.1G305 Q306 T364 I395V303-G305 PolarHBondContact O-N 2.86Å; V303-Q306 HydrophobicContact CB-CB 4.24Å; V303-Q306 WeakPolarHBondContact O-CB 3.16Å; V303-Q306 PolarHBondContact O-N 2.96Å; V303-T364 PolarHBondContact O-OG1 3.28Å; V303-I395 HydrophobicContact CG2-CD1 4.11Å
304P79.4Confident90.8Very high84 Ų8452.1 Ų52.155%0.54531%0.31SS..THydrogen-bonded Turntrans-55.8127.3170.6-26.135.4000111.8V394 I395P304-V394 HydrophobicContact CG-CG1 3.99Å; P304-I395 WeakPolarHBondContact CD-O 3.47Å
305G78Confident90.8Very high50 Ų5053.8 Ų53.852%0.51532%0.323SS..THydrogen-bonded Turntrans87.1-1.9-174.200000115.7V303 T364V303-G305 PolarHBondContact O-N 2.86Å; G305-T364 PolarHBondContact N-OG1 2.74Å
306Q86.3Confident90.8Very high71 Ų7150.1 Ų50.133%0.33231%0.313SS..PPolyproline II helixtrans-77.8138.3171.6-173.1179.53.400111.8V303 L308 T364V303-Q306 HydrophobicContact CB-CB 4.24Å; V303-Q306 WeakPolarHBondContact O-CB 3.16Å; V303-Q306 PolarHBondContact O-N 2.96Å; Q306-L308 HydrophobicContact CG-CD2 4.2Å; Q306-T364 PolarHBondContact N-OG1 2.88Å; Q306-T364 WeakPolarHBondContact O-CB 3.43Å; Q306-T364 WeakPolarHBondContact O-CG2 3.21Å; Q306-T364 PolarHBondContact O-N 3.04Å; Q306-T364 PolarHBondContact O-OG1 3.25Å
307T89.8Confident90.9Very high82 Ų8247.3 Ų47.350%0.50330%0.295SS..EExtended strand (participates in β ladder)trans-90.8125.8165.5-52.10000110D361 L362T307-D361 HydrophobicContact CG2-CB 3.95Å; T307-L362 WeakPolarHBondContact CA-O 3.29Å
308L91.4Very high91.2Very high9 Ų943.2 Ų43.25%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-101.4128173.1-62.7-179.8000110.5P300 A302 Q306 L310 L362 L392P300-L308 HydrophobicContact CG-CD2 4.05Å; A302-L308 HydrophobicContact CB-CD1 4.02Å; Q306-L308 HydrophobicContact CG-CD2 4.2Å; L308-L310 HydrophobicContact CB-CD2 4.24Å; L308-L362 HydrophobicContact CB-CB 4.41Å; L308-L362 PolarHBondContact N-O 3.38Å; L308-L362 PolarHBondContact O-N 2.88Å; L308-L392 HydrophobicContact CD1-CD1 3.49Å; L308-L392 VanDerWaalsContact CD1-CD1 3.49Å
309N94.5Very high91.5Very high81 Ų8139.5 Ų39.543%0.43324%0.242SC..EExtended strand (participates in β ladder)trans-85.7116.9169.7-172.2-98.9000109.4D361N309-D361 PolarHBondContact ND2-OD1 2.82Å
310L95.9Very high91.7Very high1 Ų141.7 Ų41.71%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-111138.7176.9-52.8-173.3000109.5L299 L308 W326 R359 L360 L362 V375L299-L310 HydrophobicContact CD1-CD2 4.33Å; L299-L310 HydrophobicContact CD2-CD2 3.38Å; L308-L310 HydrophobicContact CB-CD2 4.24Å; L310-W326 HydrophobicContact CB-CH2 3.78Å; L310-W326 HydrophobicContact CB-CZ2 4.28Å; L310-W326 HydrophobicContact CB-CZ3 4.31Å; L310-W326 HydrophobicContact CD1-CZ3 4.35Å; L310-R359 CarbonylContact O-C 3.58Å; L310-R359 VanDerWaalsContact O-CA 3.27Å; L310-R359 WeakPolarHBondContact O-CA 3.47Å; L310-L360 HydrophobicContact CB-CB 4.5Å; L310-L360 PolarHBondContact N-O 3.07Å; L310-L360 PolarHBondContact O-N 2.89Å; L310-L362 HydrophobicContact CD1-CB 4.32Å; L310-L362 HydrophobicContact CD1-CD2 3.98Å; L310-V375 HydrophobicContact CD1-CB 4.41Å; L310-V375 HydrophobicContact CD1-CG1 3.79Å; L310-V375 HydrophobicContact CD1-CG2 4.34Å
311Q97.4Very high92.1Very high41 Ų4143.7 Ų43.719%0.19227%0.267CS..EExtended strand (participates in β ladder)trans-120.4122.4171.4-177177.4-53.400109.7I294 H295 S358 R359I294-Q311 CarbonylContact C-O 3.59Å; I294-Q311 WeakPolarHBondContact CA-O 3.43Å; H295-Q311 PolarHBondContact N-O 2.8Å; H295-Q311 PolarHBondContact O-N 2.84Å; Q311-S358 CarbonylContact C-O 3.51Å; Q311-S358 WeakPolarHBondContact CA-O 3.25Å; Q311-R359 HydrophobicContact CB-CG 4.2Å; Q311-R359 HydrophobicContact CG-CG 4.07Å
312C97.9Very high92.6Very high0 Ų039 Ų390%024%0.243CC..EExtended strand (participates in β ladder)trans-95.7127.3164.7179.10000108.1S293 I294 W326 S357 S358 C377S293-C312 CarbonylContact O-C 3.6Å; S293-C312 WeakPolarHBondContact O-CA 3.46Å; I294-C312 HydrophobicContact CG1-CB 4.44Å; C312-W326 HydrophobicContact CB-CH2 3.55Å; C312-W326 HydrophobicContact CB-CZ2 3.37Å; C312-W326 HydrophobicContact CB-CZ3 4.34Å; C312-W326 VanDerWaalsContact N-CZ2 3.31Å; C312-S357 CarbonylContact O-C 3.55Å; C312-S357 WeakPolarHBondContact O-CA 3.27Å; C312-S357 VanDerWaalsContact O-CB 3.32Å; C312-S357 WeakPolarHBondContact O-CB 3.13Å; C312-S358 PolarHBondContact N-O 3.03Å; C312-S358 PolarHBondContact O-N 2.87Å; C312-C377 HydrophobicContact CB-CB 3.6Å; C312-C377 WeakPolarHBondContact CB-SG 3.04Å; C312-C377 WeakPolarHBondContact SG-CB 3.39Å; C312-C377 CovalentContact SG-SG 2.03Å; C312-C377 PolarHBondContact SG-SG 3.41Å
313E97.7Very high93.2Very high49 Ų4945.4 Ų45.423%0.22927%0.273CS..EExtended strand (participates in β ladder)trans-112.1123.4174.4-179.8157.7-158.300109.4L292 S293L292-E313 WeakPolarHBondContact CA-O 3.27Å; S293-E313 PolarHBondContact N-O 2.85Å; S293-E313 PolarHBondContact O-N 2.87Å
314A98.2Very high93.9Very high0 Ų042.1 Ų42.10%025%0.252CS..EExtended strand (participates in β ladder)trans-107.1120.4173.100000109P290 S291 L292 F317 L322 L324 S355 Q356P290-A314 HydrophobicContact CB-CB 3.97Å; S291-A314 CarbonylContact O-C 3.58Å; S291-A314 VanDerWaalsContact O-CA 3.32Å; S291-A314 WeakPolarHBondContact O-CA 3.48Å; L292-A314 HydrophobicContact CD2-CB 3.51Å; A314-F317 HydrophobicContact CB-CE1 4.43Å; A314-L322 HydrophobicContact CB-CD2 3.48Å; A314-L322 VanDerWaalsContact CB-CD2 3.48Å; A314-L324 HydrophobicContact CB-CD1 4.35Å; A314-L324 HydrophobicContact CB-CD2 4.09Å; A314-S355 CarbonylContact O-C 3.56Å; A314-S355 WeakPolarHBondContact O-CA 3.45Å; A314-S355 VanDerWaalsContact O-CB 3.32Å; A314-S355 WeakPolarHBondContact O-CB 3.33Å; A314-Q356 PolarHBondContact N-O 2.86Å; A314-Q356 PolarHBondContact O-N 3.01Å
315S97.2Very high94.7Very high45 Ų4539.8 Ų39.832%0.31524%0.238SC..EExtended strand (participates in β ladder)trans-129.8152.2-173.359.60000112.8S291S291-S315 PolarHBondContact N-O 2.84Å; S291-S315 PolarHBondContact O-N 3.18Å
316G96.5Very high95.7Very high29 Ų2937.4 Ų37.430%0.29921%0.213SC..EExtended strand (participates in β ladder)trans75.722.2171.200000115.1F354G316-F354 PolarHBondContact N-O 3.39Å
317F97.6Very high96.1Very high0 Ų036.1 Ų36.10%021%0.207CC..EExtended strand (participates in β ladder)trans-99.9149.7-175.870.4-90.9000113.5E288 P290 A314 L320 L322 F354 Q356E288-F317 CarbonylContact O-C 3.56Å; E288-F317 WeakPolarHBondContact O-CA 3.44Å; E288-F317 WeakPolarHBondContact O-CB 3.47Å; P290-F317 HydrophobicContact CB-CB 3.89Å; P290-F317 HydrophobicContact CB-CD1 4.08Å; P290-F317 HydrophobicContact CB-CG 4.28Å; P290-F317 HydrophobicContact CG-CB 4.45Å; A314-F317 HydrophobicContact CB-CE1 4.43Å; F317-L320 HydrophobicContact CE2-CD2 3.81Å; F317-L320 HydrophobicContact CZ-CD2 4.17Å; F317-L322 HydrophobicContact CD1-CD2 3.89Å; F317-L322 HydrophobicContact CD2-CB 4.12Å; F317-L322 HydrophobicContact CE1-CB 4.32Å; F317-L322 HydrophobicContact CE1-CD2 3.57Å; F317-L322 HydrophobicContact CE2-CB 3.52Å; F317-L322 HydrophobicContact CE2-CD2 4.25Å; F317-L322 HydrophobicContact CE2-CG 4.4Å; F317-L322 HydrophobicContact CG-CD2 4.35Å; F317-L322 HydrophobicContact CZ-CB 3.63Å; F317-L322 HydrophobicContact CZ-CD2 3.77Å; F317-L322 HydrophobicContact CZ-CG 4.3Å; F317-F354 HydrophobicContact CD1-CB 4.49Å; F317-F354 WeakPolarHBondContact CD1-O 3.28Å; F317-F354 HydrophobicContact CD2-CB 4.22Å; F317-F354 HydrophobicContact CE1-CB 4.11Å; F317-F354 WeakPolarHBondContact CE1-O 3.32Å; F317-F354 HydrophobicContact CE2-CB 3.81Å; F317-F354 HydrophobicContact CZ-CB 3.76Å; F317-F354 PolarHBondContact N-O 3.36Å; F317-F354 VanDerWaalsContact N-O 3.1Å; F317-F354 PolarHBondContact O-N 2.96Å; F317-Q356 HydrophobicContact CE1-CB 4.26Å; F317-Q356 HydrophobicContact CZ-CB 4.25Å
318A97.3Very high96.2Very high0 Ų032.3 Ų32.30%018%0.184CC..BIsolated β-bridgetrans-153.4146.7170.400000109.7V261 I286 V287 E288 H381V261-A318 HydrophobicContact CG1-CB 3.99Å; V261-A318 HydrophobicContact CG2-CB 3.88Å; I286-A318 CarbonylContact O-C 3.55Å; V287-A318 CarbonylContact C-O 3.56Å; V287-A318 VanDerWaalsContact CA-O 3.28Å; V287-A318 WeakPolarHBondContact CA-O 3.32Å; E288-A318 PolarHBondContact N-O 3.4Å; E288-A318 PolarHBondContact O-N 2.94Å; A318-H381 PolarHBondContact O-CE1 2.68Å; A318-H381 PolarHBondContact O-NE2 3.21Å
319P96.3Very high96.2Very high29 Ų2936.1 Ų36.119%0.18820%0.2CC..SBendcis-82.3-171.8-6.136-35.8000111.8E285 I286 H381E285-P319 HydrophobicContact CG-CG 4.24Å; E285-P319 WeakPolarHBondContact OE1-CG 3.25Å; I286-P319 WeakPolarHBondContact O-CD 3.27Å; P319-H381 PolarHBondContact O-NE2 2.79Å
320L94.9Very high95.8Very high65 Ų6532.7 Ų32.734%0.3418%0.184SC..SBendtrans-85155.4164.9-75.1163.8000110.4F317 H346 F354F317-L320 HydrophobicContact CE2-CD2 3.81Å; F317-L320 HydrophobicContact CZ-CD2 4.17Å; L320-H346 VanDerWaalsContact CD2-CE1 3.44Å; L320-H346 WeakPolarHBondContact CD2-CE1 3.19Å; L320-H346 WeakPolarHBondContact CD2-ND1 3.47Å; L320-F354 HydrophobicContact CD1-CD1 3.86Å; L320-F354 HydrophobicContact CD1-CD2 4.16Å; L320-F354 HydrophobicContact CD1-CE1 3.71Å; L320-F354 HydrophobicContact CD1-CE2 4.02Å; L320-F354 HydrophobicContact CD1-CG 4.08Å; L320-F354 HydrophobicContact CD1-CZ 3.79Å; L320-F354 HydrophobicContact CD2-CG 4.33Å; L320-F354 HydrophobicContact CG-CD1 4.27Å; L320-F354 HydrophobicContact CG-CD2 3.86Å; L320-F354 HydrophobicContact CG-CE1 4.45Å; L320-F354 HydrophobicContact CG-CE2 4.05Å; L320-F354 HydrophobicContact CG-CG 3.97Å; L320-F354 HydrophobicContact CG-CZ 4.34Å
321P95.4Very high94.9Very high103 Ų10336.5 Ų36.567%0.66922%0.216SC*.  cis-86172.80.735.4-36.1000113.7
322L96.3Very high93.9Very high9 Ų939.2 Ų39.25%0.04723%0.231CC..  trans-126.3132.1167-179.373.3000109.2P290 A314 F317 L324 A379 V380 H381P290-L322 HydrophobicContact CB-CD2 4.37Å; P290-L322 HydrophobicContact CG-CD1 3.86Å; P290-L322 HydrophobicContact CG-CD2 4.31Å; A314-L322 HydrophobicContact CB-CD2 3.48Å; A314-L322 VanDerWaalsContact CB-CD2 3.48Å; F317-L322 HydrophobicContact CD1-CD2 3.89Å; F317-L322 HydrophobicContact CD2-CB 4.12Å; F317-L322 HydrophobicContact CE1-CB 4.32Å; F317-L322 HydrophobicContact CE1-CD2 3.57Å; F317-L322 HydrophobicContact CE2-CB 3.52Å; F317-L322 HydrophobicContact CE2-CD2 4.25Å; F317-L322 HydrophobicContact CE2-CG 4.4Å; F317-L322 HydrophobicContact CG-CD2 4.35Å; F317-L322 HydrophobicContact CZ-CB 3.63Å; F317-L322 HydrophobicContact CZ-CD2 3.77Å; F317-L322 HydrophobicContact CZ-CG 4.3Å; L322-L324 HydrophobicContact CD2-CD2 3.91Å; L322-L324 HydrophobicContact CD2-CG 4.2Å; L322-L324 HydrophobicContact CG-CD2 4.38Å; L322-A379 HydrophobicContact CD1-CB 4.17Å; L322-V380 WeakPolarHBondContact CD1-O 3.41Å; L322-H381 HydrophobicContact CD1-CB 3.57Å
323E96.6Very high93Very high134 Ų13441.3 Ų41.363%0.62625%0.253SS*.EExtended strand (participates in β ladder)trans-99.8117.1173.8-64.5-174.7173.100110.2A379 V380E323-A379 CarbonylContact O-C 3.49Å; E323-A379 WeakPolarHBondContact O-CA 2.99Å; E323-V380 HydrophobicContact CB-CB 4.29Å; E323-V380 PolarHBondContact N-O 3.39Å; E323-V380 PolarHBondContact O-N 3.4Å
324L97.4Very high92.3Very high3 Ų346 Ų462%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-99.9137.1171-64.9-179.6000110.7L292 A314 L322 S340 M343 V378 A379L292-L324 HydrophobicContact CD2-CD2 4.45Å; A314-L324 HydrophobicContact CB-CD1 4.35Å; A314-L324 HydrophobicContact CB-CD2 4.09Å; L322-L324 HydrophobicContact CD2-CD2 3.91Å; L322-L324 HydrophobicContact CD2-CG 4.2Å; L322-L324 HydrophobicContact CG-CD2 4.38Å; L324-S340 WeakPolarHBondContact O-CA 2.98Å; L324-S340 WeakPolarHBondContact O-CB 3Å; L324-S340 PolarHBondContact O-OG 3Å; L324-M343 HydrophobicContact CB-CE 3.89Å; L324-M343 HydrophobicContact CB-SD 4.01Å; L324-M343 HydrophobicContact CD1-CE 3.91Å; L324-M343 HydrophobicContact CD1-SD 4.41Å; L324-M343 HydrophobicContact CG-CE 4.01Å; L324-V378 WeakPolarHBondContact CA-O 3.39Å; L324-A379 HydrophobicContact CD2-CB 3.47Å; L324-A379 VanDerWaalsContact CD2-CB 3.47Å
325S97.1Very high91.8Very high34 Ų3449.7 Ų49.724%0.23830%0.298CS..EExtended strand (participates in β ladder)trans-143.2159.8171.760.90000110.9V378S325-V378 PolarHBondContact N-O 2.78Å; S325-V378 PolarHBondContact O-N 3Å
326W97.3Very high91.5Very high0 Ų051.5 Ų51.50%030%0.298CS..EExtended strand (participates in β ladder)trans-114.5139.5176.5-66.190.2000110.1I294 L310 C312 L338 G339 S358 L360 V375 T376 C377I294-W326 HydrophobicContact CD1-CZ3 3.98Å; I294-W326 HydrophobicContact CG1-CH2 4.29Å; I294-W326 HydrophobicContact CG1-CZ3 4.16Å; I294-W326 HydrophobicContact CG2-CH2 4.12Å; I294-W326 HydrophobicContact CG2-CZ3 4.21Å; L310-W326 HydrophobicContact CB-CH2 3.78Å; L310-W326 HydrophobicContact CB-CZ2 4.28Å; L310-W326 HydrophobicContact CB-CZ3 4.31Å; L310-W326 HydrophobicContact CD1-CZ3 4.35Å; C312-W326 HydrophobicContact CB-CH2 3.55Å; C312-W326 HydrophobicContact CB-CZ2 3.37Å; C312-W326 HydrophobicContact CB-CZ3 4.34Å; C312-W326 VanDerWaalsContact N-CZ2 3.31Å; W326-L338 HydrophobicContact CB-CB 3.79Å; W326-L338 HydrophobicContact CB-CD1 4.28Å; W326-L338 PolarHBondContact O-N 2.79Å; W326-G339 PolarHBondContact N-O 3.36Å; W326-S358 PolarHBondContact NE1-OG 3.31Å; W326-L360 HydrophobicContact CB-CD2 3.94Å; W326-L360 HydrophobicContact CD2-CB 4.17Å; W326-L360 HydrophobicContact CD2-CD2 3.93Å; W326-L360 HydrophobicContact CE3-CD2 4.33Å; W326-L360 HydrophobicContact CG-CB 4.28Å; W326-L360 HydrophobicContact CG-CD2 3.8Å; W326-L360 HydrophobicContact CZ2-CB 4.12Å; W326-V375 HydrophobicContact CE3-CG1 3.64Å; W326-V375 HydrophobicContact CZ3-CG1 3.82Å; W326-T376 CarbonylContact C-O 3.47Å; W326-T376 WeakPolarHBondContact CA-O 3.39Å; W326-C377 HydrophobicContact CD2-CB 4.48Å; W326-C377 HydrophobicContact CE3-CB 4.06Å; W326-C377 HydrophobicContact CH2-CB 4.48Å; W326-C377 HydrophobicContact CZ3-CB 4.05Å
327E95.4Very high91.3Very high45 Ų4554.4 Ų54.421%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-121.9149.9170.9-65.6175.3-16700108.6R336 T376 V378 R387E327-R336 CarbonylContact C-O 3.57Å; E327-R336 WeakPolarHBondContact CA-O 3.37Å; E327-T376 PolarHBondContact N-O 3.45Å; E327-T376 PolarHBondContact O-N 2.92Å; E327-V378 HydrophobicContact CG-CG2 3.98Å; E327-R387 IonicContact OE1-CZ 3.88Å; E327-R387 IonicContact OE1-NH1 2.68Å; E327-R387 PolarHBondContact OE1-NH1 3.4Å; E327-R387 VanDerWaalsContact OE1-NH1 3.12Å; E327-R387 IonicContact OE1-NH2 2.98Å; E327-R387 PolarHBondContact OE1-NH2 3.35Å; E327-R387 IonicContact OE2-CZ 2.92Å; E327-R387 IonicContact OE2-NH1 2.74Å; E327-R387 PolarHBondContact OE2-NH1 3.35Å; E327-R387 IonicContact OE2-NH2 3.12Å
328F92.1Very high91Very high2 Ų256.5 Ų56.51%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-123.1136.3165.4169.7-87.3000109.8G330 S335 R336 L338 L367 L369 E374 V375 L392F328-G330 VanDerWaalsContact CE1-CA 3.4Å; F328-S335 CarbonylContact O-C 3.56Å; F328-S335 VanDerWaalsContact O-CA 3.3Å; F328-S335 WeakPolarHBondContact O-CA 2.85Å; F328-R336 HydrophobicContact CB-CG 4.48Å; F328-R336 HydrophobicContact CD1-CG 4.44Å; F328-R336 VanDerWaalsContact CD1-CZ 3.41Å; F328-R336 PolarHBondContact N-O 3.48Å; F328-R336 PolarHBondContact O-N 2.89Å; F328-L338 HydrophobicContact CB-CD1 3.7Å; F328-L338 HydrophobicContact CB-CD2 4.43Å; F328-L338 HydrophobicContact CB-CG 4.16Å; F328-L367 HydrophobicContact CB-CD2 4.46Å; F328-L367 HydrophobicContact CD1-CD2 4.18Å; F328-L367 HydrophobicContact CD2-CD2 3.64Å; F328-L367 HydrophobicContact CE1-CD2 4.29Å; F328-L367 HydrophobicContact CE2-CD2 3.79Å; F328-L367 HydrophobicContact CG-CD2 3.82Å; F328-L367 HydrophobicContact CZ-CD2 4.1Å; F328-L369 HydrophobicContact CE2-CD2 3.98Å; F328-L369 HydrophobicContact CZ-CD2 3.83Å; F328-E374 CarbonylContact C-O 3.59Å; F328-E374 WeakPolarHBondContact CA-O 3.4Å; F328-E374 WeakPolarHBondContact CD2-O 3.29Å; F328-V375 HydrophobicContact CD2-CG2 3.93Å; F328-L392 HydrophobicContact CE2-CD2 4.12Å
329K91.4Very high90.8Very high89 Ų8958 Ų5839%0.38734%0.34SS..EExtended strand (participates in β ladder)trans-112.4119.2173.8-172.7179.3178-175.30110K334 G373 E374K329-K334 WeakPolarHBondContact CA-O 3.44Å; K329-G373 WeakPolarHBondContact O-CA 3.35Å; K329-E374 HydrophobicContact CB-CB 4.37Å; K329-E374 PolarHBondContact N-O 2.81Å; K329-E374 PolarHBondContact O-N 2.81Å
330G85.6Confident90.5Very high9 Ų959.6 Ų59.69%0.09335%0.352CS..EExtended strand (participates in β ladder)trans-75168.3178.400000113.3F328 D332 G333 K334F328-G330 VanDerWaalsContact CE1-CA 3.4Å; G330-D332 PolarHBondContact O-N 3.41Å; G330-G333 WeakPolarHBondContact O-CA 3.35Å; G330-G333 PolarHBondContact O-N 2.8Å; G330-K334 PolarHBondContact N-O 2.96Å
331A76.4Confident90.3Very high81 Ų8158.4 Ų58.467%0.66936%0.355SS*.THydrogen-bonded Turntrans-62.3-18170.400000113.3G333A331-G333 PolarHBondContact O-N 2.88Å
332D76.5Confident90.4Very high98 Ų9860.9 Ų60.952%0.52435%0.351SS..THydrogen-bonded Turntrans-78.3-1.1170.674.6-24000113.5G330 K334G330-D332 PolarHBondContact O-N 3.41Å; D332-K334 VanDerWaalsContact C-N 3.28Å; D332-K334 PolarHBondContact O-N 2.85Å; D332-K334 PolarHBondContact OD1-N 2.11Å; D332-K334 VanDerWaalsContact OD2-CD 3.29Å; D332-K334 WeakPolarHBondContact OD2-CD 3.46Å; D332-K334 WeakPolarHBondContact OD2-CE 3.38Å; D332-K334 VanDerWaalsContact OD2-CG 3.24Å; D332-K334 WeakPolarHBondContact OD2-CG 3.42Å; D332-K334 IonicContact OD2-NZ 3.11Å; D332-K334 PolarHBondContact OD2-NZ 2.91Å
333G79.7Confident90.3Very high44 Ų4463.7 Ų63.745%0.45437%0.365SS..SBendtrans80.2-2.7-179.600000114.9G330 A331G330-G333 WeakPolarHBondContact O-CA 3.35Å; G330-G333 PolarHBondContact O-N 2.8Å; A331-G333 PolarHBondContact O-N 2.88Å
334K83.5Confident90.3Very high147 Ų14758.4 Ų58.464%0.63934%0.343SS*.  trans-81128-179.3-62.3-169.6-159.1105.80111.1K329 G330 D332K329-K334 WeakPolarHBondContact CA-O 3.44Å; G330-K334 PolarHBondContact N-O 2.96Å; D332-K334 VanDerWaalsContact C-N 3.28Å; D332-K334 PolarHBondContact O-N 2.85Å; D332-K334 PolarHBondContact OD1-N 2.11Å; D332-K334 VanDerWaalsContact OD2-CD 3.29Å; D332-K334 WeakPolarHBondContact OD2-CD 3.46Å; D332-K334 WeakPolarHBondContact OD2-CE 3.38Å; D332-K334 VanDerWaalsContact OD2-CG 3.24Å; D332-K334 WeakPolarHBondContact OD2-CG 3.42Å; D332-K334 IonicContact OD2-NZ 3.11Å; D332-K334 PolarHBondContact OD2-NZ 2.91Å
335S88.4Confident90.1Very high77 Ų7761 Ų6154%0.53837%0.37SS..EExtended strand (participates in β ladder)trans-89.1141.6170.7-61.70000111.3F328F328-S335 CarbonylContact O-C 3.56Å; F328-S335 VanDerWaalsContact O-CA 3.3Å; F328-S335 WeakPolarHBondContact O-CA 2.85Å
336R89.1Confident90Very high83 Ų8364 Ų6431%0.31338%0.38SS..EExtended strand (participates in β ladder)trans-138143.6171.354.9-178.4162.880.76.1111.2E327 F328 L367E327-R336 CarbonylContact C-O 3.57Å; E327-R336 WeakPolarHBondContact CA-O 3.37Å; F328-R336 HydrophobicContact CB-CG 4.48Å; F328-R336 HydrophobicContact CD1-CG 4.44Å; F328-R336 VanDerWaalsContact CD1-CZ 3.41Å; F328-R336 PolarHBondContact N-O 3.48Å; F328-R336 PolarHBondContact O-N 2.89Å; R336-L367 VanDerWaalsContact NH2-CB 3.26Å; R336-L367 VanDerWaalsContact NH2-CD2 3.27Å
337S92.4Very high90Very high91 Ų9170.8 Ų70.864%0.63641%0.406SS*.EExtended strand (participates in β ladder)trans-71.8140.6174.1-176.40000110.9G339S337-G339 PolarHBondContact OG-N 2.03Å
338L92Very high90Very high44 Ų4474.7 Ų74.723%0.2342%0.424CS..EExtended strand (participates in β ladder)trans-108.52.7173.1-63.1171000111.4W326 F328 L360 L362W326-L338 HydrophobicContact CB-CB 3.79Å; W326-L338 HydrophobicContact CB-CD1 4.28Å; W326-L338 PolarHBondContact O-N 2.79Å; F328-L338 HydrophobicContact CB-CD1 3.7Å; F328-L338 HydrophobicContact CB-CD2 4.43Å; F328-L338 HydrophobicContact CB-CG 4.16Å; L338-L360 HydrophobicContact CB-CD2 4.16Å; L338-L360 HydrophobicContact CD1-CD2 3.85Å; L338-L362 HydrophobicContact CD1-CD1 3.79Å; L338-L362 HydrophobicContact CD2-CD1 4.17Å
339G92.1Very high90.2Very high31 Ų3176.7 Ų76.732%0.3244%0.441SS..EExtended strand (participates in β ladder)trans77.8-173.1-177.100000114.1W326 S337W326-G339 PolarHBondContact N-O 3.36Å; S337-G339 PolarHBondContact OG-N 2.03Å
340S90.8Very high90.3Very high63 Ų6384.1 Ų84.144%0.44147%0.467SS..  trans-84-8.5-175.2-62.30000115.4L324 S358L324-S340 WeakPolarHBondContact O-CA 2.98Å; L324-S340 WeakPolarHBondContact O-CB 3Å; L324-S340 PolarHBondContact O-OG 3Å; S340-S358 PolarHBondContact O-OG 2.87Å
341G91.7Very high90.7Very high39 Ų3986.3 Ų86.340%0.40248%0.476SS..  trans61.8-161.9-173.500000113.2R359G341-R359 CarbonylContact C-O 3.56Å; G341-R359 WeakPolarHBondContact CA-O 3.28Å
342R95.8Very high91.6Very high156 Ų15683 Ų8359%0.58945%0.45SS*.EExtended strand (participates in β ladder)trans-92.9110.1174.9178.7172.754.6-167.8-9.4110R359R342-R359 PolarHBondContact N-O 2.93Å; R342-R359 PolarHBondContact O-N 2.8Å
343M95.4Very high92.6Very high68 Ų6878.6 Ų78.634%0.33543%0.427SS..EExtended strand (participates in β ladder)trans-73.3148.2179-59.4-63-74.100112.3L324 Q356 S357L324-M343 HydrophobicContact CB-CE 3.89Å; L324-M343 HydrophobicContact CB-SD 4.01Å; L324-M343 HydrophobicContact CD1-CE 3.91Å; L324-M343 HydrophobicContact CD1-SD 4.41Å; L324-M343 HydrophobicContact CG-CE 4.01Å; M343-Q356 VanDerWaalsContact CE-CD 3.47Å; M343-Q356 HydrophobicContact CE-CG 4Å; M343-S357 CarbonylContact C-O 3.56Å; M343-S357 WeakPolarHBondContact CA-O 3.38Å
344S95.6Very high93.4Very high22 Ų2278.1 Ų78.115%0.15441%0.412CS..PPolyproline II helixtrans-83.5162.4160.873.30000111.2Q356 S357S344-Q356 WeakPolarHBondContact O-CG 3.33Å; S344-Q356 PolarHBondContact O-NE2 2.85Å; S344-S357 VanDerWaalsContact CB-OG 3.29Å; S344-S357 WeakPolarHBondContact CB-OG 3.41Å; S344-S357 PolarHBondContact N-O 2.82Å; S344-S357 PolarHBondContact OG-N 2.95Å; S344-S357 PolarHBondContact OG-O 2.87Å; S344-S357 PolarHBondContact OG-OG 2.59Å
345G94.3Very high94.1Very high58 Ų5872.2 Ų72.260%0.59839%0.39SS*.PPolyproline II helixtrans-61162.915900000111.5
346H95.2Very high94.5Very high97 Ų9769.3 Ų69.345%0.44937%0.368SS..PPolyproline II helixtrans-71.9144.7174-51.2-65.6000110.6L320 Q356L320-H346 VanDerWaalsContact CD2-CE1 3.44Å; L320-H346 WeakPolarHBondContact CD2-CE1 3.19Å; L320-H346 WeakPolarHBondContact CD2-ND1 3.47Å; H346-Q356 PolarHBondContact CE1-NE2 3.11Å; H346-Q356 VanDerWaalsContact CE1-NE2 3.29Å; H346-Q356 PolarHBondContact CE1-OE1 3.47Å; H346-Q356 PolarHBondContact ND1-OE1 3.04Å
347R95.9Very high94.9Very high142 Ų14265.4 Ų65.454%0.53635%0.353SS..EExtended strand (participates in β ladder)trans-118.4145.8167.6-59.9169178.2171.6-5107.3F354 S355R347-F354 CarbonylContact O-C 3.51Å; R347-F354 VanDerWaalsContact O-CA 3.3Å; R347-F354 WeakPolarHBondContact O-CA 3.4Å; R347-S355 PolarHBondContact N-O 3.07Å; R347-S355 PolarHBondContact O-N 2.88Å
348Q96.9Very high95.1Very high127 Ų12761 Ų6159%0.59332%0.323SS*.EExtended strand (participates in β ladder)trans-116.1135.2178.4-161.2174.614.900110G352 T353 F354Q348-G352 PolarHBondContact NE2-O 2.85Å; Q348-T353 CarbonylContact C-O 3.58Å; Q348-T353 WeakPolarHBondContact CA-O 3.36Å; Q348-T353 WeakPolarHBondContact CG-O 3.5Å; Q348-F354 HydrophobicContact CB-CD1 4.12Å; Q348-F354 HydrophobicContact CB-CE1 4.05Å; Q348-F354 HydrophobicContact CG-CD1 4.01Å; Q348-F354 HydrophobicContact CG-CE1 3.73Å; Q348-F354 HydrophobicContact CG-CZ 4.27Å
349A95.8Very high95.4Very high44 Ų4462.5 Ų62.536%0.36433%0.325SS..  trans-88169.9173.900000111.2D351 G352 T353A349-D351 VanDerWaalsContact C-N 3.26Å; A349-D351 WeakPolarHBondContact CB-OD1 3.36Å; A349-D351 PolarHBondContact O-N 2.92Å; A349-G352 WeakPolarHBondContact O-CA 3.39Å; A349-G352 PolarHBondContact O-N 3.12Å; A349-T353 PolarHBondContact N-O 2.72Å
350W93.7Very high95.6Very high246 Ų24661.8 Ų61.893%0.93231%0.314SS*.THydrogen-bonded Turntrans-67.1-25.3-17667.4-90.4000113.6G352W350-G352 PolarHBondContact O-N 3.24Å
351D93.4Very high95.7Very high54 Ų5463 Ų6329%0.28932%0.316SS..THydrogen-bonded Turntrans-76-5.317356.916.7000112.9V261 A349 T353V261-D351 WeakPolarHBondContact CG2-O 3.32Å; A349-D351 VanDerWaalsContact C-N 3.26Å; A349-D351 WeakPolarHBondContact CB-OD1 3.36Å; A349-D351 PolarHBondContact O-N 2.92Å; D351-T353 VanDerWaalsContact OD1-CB 3.3Å; D351-T353 WeakPolarHBondContact OD1-CB 3Å; D351-T353 WeakPolarHBondContact OD1-CG2 3.35Å; D351-T353 PolarHBondContact OD1-N 2.84Å; D351-T353 PolarHBondContact OD1-OG1 2.91Å; D351-T353 PolarHBondContact OD2-OG1 3.21Å
352G94.8Very high95.7Very high12 Ų1261.4 Ų61.412%0.12430%0.298CS..SBendtrans88.9-5.9-177.400000114.4Q348 A349 W350Q348-G352 PolarHBondContact NE2-O 2.85Å; A349-G352 WeakPolarHBondContact O-CA 3.39Å; A349-G352 PolarHBondContact O-N 3.12Å; W350-G352 PolarHBondContact O-N 3.24Å
353T97.3Very high95.3Very high5 Ų555.5 Ų55.53%0.03128%0.278CS..  trans-70.1158.9177.967.10000111.9L183 V261 Q348 A349 D351L183-T353 HydrophobicContact CD2-CG2 3.91Å; V261-T353 HydrophobicContact CG2-CG2 3.88Å; Q348-T353 CarbonylContact C-O 3.58Å; Q348-T353 WeakPolarHBondContact CA-O 3.36Å; Q348-T353 WeakPolarHBondContact CG-O 3.5Å; A349-T353 PolarHBondContact N-O 2.72Å; D351-T353 VanDerWaalsContact OD1-CB 3.3Å; D351-T353 WeakPolarHBondContact OD1-CB 3Å; D351-T353 WeakPolarHBondContact OD1-CG2 3.35Å; D351-T353 PolarHBondContact OD1-N 2.84Å; D351-T353 PolarHBondContact OD1-OG1 2.91Å; D351-T353 PolarHBondContact OD2-OG1 3.21Å
354F97.6Very high94.7Very high34 Ų3452.4 Ų52.415%0.14926%0.263CS..EExtended strand (participates in β ladder)trans-106.7153.4-177.9-61.4-79.4000112.2G316 F317 L320 R347 Q348G316-F354 PolarHBondContact N-O 3.39Å; F317-F354 HydrophobicContact CD1-CB 4.49Å; F317-F354 WeakPolarHBondContact CD1-O 3.28Å; F317-F354 HydrophobicContact CD2-CB 4.22Å; F317-F354 HydrophobicContact CE1-CB 4.11Å; F317-F354 WeakPolarHBondContact CE1-O 3.32Å; F317-F354 HydrophobicContact CE2-CB 3.81Å; F317-F354 HydrophobicContact CZ-CB 3.76Å; F317-F354 PolarHBondContact N-O 3.36Å; F317-F354 VanDerWaalsContact N-O 3.1Å; F317-F354 PolarHBondContact O-N 2.96Å; L320-F354 HydrophobicContact CD1-CD1 3.86Å; L320-F354 HydrophobicContact CD1-CD2 4.16Å; L320-F354 HydrophobicContact CD1-CE1 3.71Å; L320-F354 HydrophobicContact CD1-CE2 4.02Å; L320-F354 HydrophobicContact CD1-CG 4.08Å; L320-F354 HydrophobicContact CD1-CZ 3.79Å; L320-F354 HydrophobicContact CD2-CG 4.33Å; L320-F354 HydrophobicContact CG-CD1 4.27Å; L320-F354 HydrophobicContact CG-CD2 3.86Å; L320-F354 HydrophobicContact CG-CE1 4.45Å; L320-F354 HydrophobicContact CG-CE2 4.05Å; L320-F354 HydrophobicContact CG-CG 3.97Å; L320-F354 HydrophobicContact CG-CZ 4.34Å; R347-F354 CarbonylContact O-C 3.51Å; R347-F354 VanDerWaalsContact O-CA 3.3Å; R347-F354 WeakPolarHBondContact O-CA 3.4Å; Q348-F354 HydrophobicContact CB-CD1 4.12Å; Q348-F354 HydrophobicContact CB-CE1 4.05Å; Q348-F354 HydrophobicContact CG-CD1 4.01Å; Q348-F354 HydrophobicContact CG-CE1 3.73Å; Q348-F354 HydrophobicContact CG-CZ 4.27Å
355S97.4Very high93.8Very high24 Ų2455.2 Ų55.217%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-131.3147.3163630000111.6A314 R347A314-S355 CarbonylContact O-C 3.56Å; A314-S355 WeakPolarHBondContact O-CA 3.45Å; A314-S355 VanDerWaalsContact O-CB 3.32Å; A314-S355 WeakPolarHBondContact O-CB 3.33Å; R347-S355 PolarHBondContact N-O 3.07Å; R347-S355 PolarHBondContact O-N 2.88Å
356Q97.4Very high92.8Very high15 Ų1560.1 Ų60.17%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-149.3148.7178.5-165.8172.922.900109.4A314 F317 M343 S344 H346A314-Q356 PolarHBondContact N-O 2.86Å; A314-Q356 PolarHBondContact O-N 3.01Å; F317-Q356 HydrophobicContact CE1-CB 4.26Å; F317-Q356 HydrophobicContact CZ-CB 4.25Å; M343-Q356 VanDerWaalsContact CE-CD 3.47Å; M343-Q356 HydrophobicContact CE-CG 4Å; S344-Q356 WeakPolarHBondContact O-CG 3.33Å; S344-Q356 PolarHBondContact O-NE2 2.85Å; H346-Q356 PolarHBondContact CE1-NE2 3.11Å; H346-Q356 VanDerWaalsContact CE1-NE2 3.29Å; H346-Q356 PolarHBondContact CE1-OE1 3.47Å; H346-Q356 PolarHBondContact ND1-OE1 3.04Å
357S97.3Very high91.8Very high1 Ų156.1 Ų56.11%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-125.2146.9178.559.10000111.7C312 M343 S344C312-S357 CarbonylContact O-C 3.55Å; C312-S357 WeakPolarHBondContact O-CA 3.27Å; C312-S357 VanDerWaalsContact O-CB 3.32Å; C312-S357 WeakPolarHBondContact O-CB 3.13Å; M343-S357 CarbonylContact C-O 3.56Å; M343-S357 WeakPolarHBondContact CA-O 3.38Å; S344-S357 VanDerWaalsContact CB-OG 3.29Å; S344-S357 WeakPolarHBondContact CB-OG 3.41Å; S344-S357 PolarHBondContact N-O 2.82Å; S344-S357 PolarHBondContact OG-N 2.95Å; S344-S357 PolarHBondContact OG-O 2.87Å; S344-S357 PolarHBondContact OG-OG 2.59Å
358S97.8Very high90.5Very high0 Ų057 Ų570%028%0.284CS..EExtended strand (participates in β ladder)trans-111.1135.2167.2172.40000109.1Q311 C312 W326 S340Q311-S358 CarbonylContact C-O 3.51Å; Q311-S358 WeakPolarHBondContact CA-O 3.25Å; C312-S358 PolarHBondContact N-O 3.03Å; C312-S358 PolarHBondContact O-N 2.87Å; W326-S358 PolarHBondContact NE1-OG 3.31Å; S340-S358 PolarHBondContact O-OG 2.87Å
359R97.4Very high89Confident74 Ų7451.5 Ų51.528%0.27926%0.259SS..EExtended strand (participates in β ladder)trans-109.9128.2170.3-65.7-170.9-177.289.18110.9L310 Q311 G341 R342L310-R359 CarbonylContact O-C 3.58Å; L310-R359 VanDerWaalsContact O-CA 3.27Å; L310-R359 WeakPolarHBondContact O-CA 3.47Å; Q311-R359 HydrophobicContact CB-CG 4.2Å; Q311-R359 HydrophobicContact CG-CG 4.07Å; G341-R359 CarbonylContact C-O 3.56Å; G341-R359 WeakPolarHBondContact CA-O 3.28Å; R342-R359 PolarHBondContact N-O 2.93Å; R342-R359 PolarHBondContact O-N 2.8Å
360L96.1Very high87.7Confident17 Ų1753 Ų539%0.08928%0.278CS..EExtended strand (participates in β ladder)trans-117.3127.1177.8178.470.7000109.9L310 W326 L338 L362L310-L360 HydrophobicContact CB-CB 4.5Å; L310-L360 PolarHBondContact N-O 3.07Å; L310-L360 PolarHBondContact O-N 2.89Å; W326-L360 HydrophobicContact CB-CD2 3.94Å; W326-L360 HydrophobicContact CD2-CB 4.17Å; W326-L360 HydrophobicContact CD2-CD2 3.93Å; W326-L360 HydrophobicContact CE3-CD2 4.33Å; W326-L360 HydrophobicContact CG-CB 4.28Å; W326-L360 HydrophobicContact CG-CD2 3.8Å; W326-L360 HydrophobicContact CZ2-CB 4.12Å; L338-L360 HydrophobicContact CB-CD2 4.16Å; L338-L360 HydrophobicContact CD1-CD2 3.85Å; L360-L362 HydrophobicContact CD2-CB 4.41Å; L360-L362 HydrophobicContact CD2-CD1 4.06Å
361D93.9Very high86.3Confident89 Ų8952.3 Ų52.348%0.47628%0.276SS..EExtended strand (participates in β ladder)trans-93.295.3170-65.8-51000108.5T307 N309 D363T307-D361 HydrophobicContact CG2-CB 3.95Å; N309-D361 PolarHBondContact ND2-OD1 2.82Å; D361-D363 PolarHBondContact O-N 3.26Å
362L90.6Very high85.7Confident4 Ų450.1 Ų50.12%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-87.497.6-173.7-172.273.7000111T307 L308 L310 L338 L360 T364 L367 V375 L392T307-L362 WeakPolarHBondContact CA-O 3.29Å; L308-L362 HydrophobicContact CB-CB 4.41Å; L308-L362 PolarHBondContact N-O 3.38Å; L308-L362 PolarHBondContact O-N 2.88Å; L310-L362 HydrophobicContact CD1-CB 4.32Å; L310-L362 HydrophobicContact CD1-CD2 3.98Å; L338-L362 HydrophobicContact CD1-CD1 3.79Å; L338-L362 HydrophobicContact CD2-CD1 4.17Å; L360-L362 HydrophobicContact CD2-CB 4.41Å; L360-L362 HydrophobicContact CD2-CD1 4.06Å; L362-T364 PolarHBondContact O-N 2.86Å; L362-L367 HydrophobicContact CD1-CD1 3.74Å; L362-L367 HydrophobicContact CD1-CD2 3.94Å; L362-L367 HydrophobicContact CD1-CG 4.46Å; L362-L367 HydrophobicContact CD2-CD2 4.33Å; L362-L367 HydrophobicContact CG-CD1 4.02Å; L362-L367 HydrophobicContact CG-CD2 4.35Å; L362-V375 HydrophobicContact CD2-CG2 3.88Å; L362-L392 HydrophobicContact CD2-CD2 3.91Å
363D87.8Confident85.3Confident33 Ų3350.4 Ų50.418%0.17627%0.269CS..EExtended strand (participates in β ladder)trans-77.8104176.3172.4-0.8000111.4D361 S365 K366 L367D361-D363 PolarHBondContact O-N 3.26Å; D363-S365 VanDerWaalsContact CG-OG 3.31Å; D363-S365 PolarHBondContact O-N 2.84Å; D363-S365 WeakPolarHBondContact OD1-CB 3.39Å; D363-S365 PolarHBondContact OD1-N 3.41Å; D363-S365 PolarHBondContact OD1-OG 2.95Å; D363-S365 PolarHBondContact OD2-OG 2.84Å; D363-K366 HydrophobicContact CB-CD 4.35Å; D363-K366 PolarHBondContact O-N 3.35Å; D363-K366 VanDerWaalsContact O-N 3.11Å; D363-K366 WeakPolarHBondContact OD2-CD 3.38Å; D363-K366 VanDerWaalsContact OD2-CE 3.25Å; D363-K366 WeakPolarHBondContact OD2-CE 3.33Å; D363-K366 IonicContact OD2-NZ 3.47Å; D363-K366 PolarHBondContact OD2-NZ 2.81Å; D363-L367 WeakPolarHBondContact O-CD1 3.46Å
364T82.8Confident85.1Confident3 Ų353.4 Ų53.42%0.01828%0.282CS..G310 helixtrans-62.1-17.6-174.1630000114.4A302 V303 G305 Q306 L362 K366 L367 L369A302-T364 HydrophobicContact CB-CG2 4.08Å; V303-T364 PolarHBondContact O-OG1 3.28Å; G305-T364 PolarHBondContact N-OG1 2.74Å; Q306-T364 PolarHBondContact N-OG1 2.88Å; Q306-T364 WeakPolarHBondContact O-CB 3.43Å; Q306-T364 WeakPolarHBondContact O-CG2 3.21Å; Q306-T364 PolarHBondContact O-N 3.04Å; Q306-T364 PolarHBondContact O-OG1 3.25Å; L362-T364 PolarHBondContact O-N 2.86Å; T364-K366 VanDerWaalsContact C-N 3.31Å; T364-K366 PolarHBondContact O-N 3.23Å; T364-L367 PolarHBondContact O-N 3.26Å; T364-L369 HydrophobicContact CG2-CD1 4.04Å; T364-L369 VanDerWaalsContact O-CD1 3.29Å; T364-L369 WeakPolarHBondContact O-CD1 3.46Å
365S75.7Confident84.9Confident81 Ų8151.8 Ų51.857%0.56628%0.275SS*.G310 helixtrans-70.2-26.4176.371.20000113.5D363 L367D363-S365 VanDerWaalsContact CG-OG 3.31Å; D363-S365 PolarHBondContact O-N 2.84Å; D363-S365 WeakPolarHBondContact OD1-CB 3.39Å; D363-S365 PolarHBondContact OD1-N 3.41Å; D363-S365 PolarHBondContact OD1-OG 2.95Å; D363-S365 PolarHBondContact OD2-OG 2.84Å; S365-L367 VanDerWaalsContact C-N 3.28Å
366K75.1Confident84.9Confident160 Ų16051.1 Ų51.170%0.69627%0.271SS*.G310 helixtrans-88.33.4179.9-64.3176.3179.5124.60113.1D363 T364D363-K366 HydrophobicContact CB-CD 4.35Å; D363-K366 PolarHBondContact O-N 3.35Å; D363-K366 VanDerWaalsContact O-N 3.11Å; D363-K366 WeakPolarHBondContact OD2-CD 3.38Å; D363-K366 VanDerWaalsContact OD2-CE 3.25Å; D363-K366 WeakPolarHBondContact OD2-CE 3.33Å; D363-K366 IonicContact OD2-NZ 3.47Å; D363-K366 PolarHBondContact OD2-NZ 2.81Å; T364-K366 VanDerWaalsContact C-N 3.31Å; T364-K366 PolarHBondContact O-N 3.23Å
367L73Confident84.9Confident14 Ų1450.4 Ų50.47%0.07327%0.267CS..SBendtrans-110.3123.9179.2-73.689.2000108.7F328 R336 L362 D363 T364 S365 L369 L392F328-L367 HydrophobicContact CB-CD2 4.46Å; F328-L367 HydrophobicContact CD1-CD2 4.18Å; F328-L367 HydrophobicContact CD2-CD2 3.64Å; F328-L367 HydrophobicContact CE1-CD2 4.29Å; F328-L367 HydrophobicContact CE2-CD2 3.79Å; F328-L367 HydrophobicContact CG-CD2 3.82Å; F328-L367 HydrophobicContact CZ-CD2 4.1Å; R336-L367 VanDerWaalsContact NH2-CB 3.26Å; R336-L367 VanDerWaalsContact NH2-CD2 3.27Å; L362-L367 HydrophobicContact CD1-CD1 3.74Å; L362-L367 HydrophobicContact CD1-CD2 3.94Å; L362-L367 HydrophobicContact CD1-CG 4.46Å; L362-L367 HydrophobicContact CD2-CD2 4.33Å; L362-L367 HydrophobicContact CG-CD1 4.02Å; L362-L367 HydrophobicContact CG-CD2 4.35Å; D363-L367 WeakPolarHBondContact O-CD1 3.46Å; T364-L367 PolarHBondContact O-N 3.26Å; S365-L367 VanDerWaalsContact C-N 3.28Å; L367-L369 HydrophobicContact CB-CD1 4.01Å; L367-L369 HydrophobicContact CB-CD2 3.64Å; L367-L369 HydrophobicContact CB-CG 3.49Å; L367-L369 VanDerWaalsContact CB-CG 3.49Å; L367-L369 HydrophobicContact CD2-CD2 3.86Å; L367-L369 HydrophobicContact CG-CD2 4.35Å; L367-L369 WeakPolarHBondContact O-CG 3.3Å; L367-L369 PolarHBondContact O-N 2.84Å; L367-L392 HydrophobicContact CD2-CD2 4.49Å
368D68.1Low84.9Confident159 Ų15950.6 Ų50.685%0.8527%0.268SS*.  trans-68.579.9163.1-82-38.7000108.8
369L65.9Low84.9Confident13 Ų1350.6 Ų50.67%0.06827%0.268CS..  trans-79.3-30.3-168.3-73.2164.1000113.5F328 T364 L367 R371 G372 L392 V394F328-L369 HydrophobicContact CE2-CD2 3.98Å; F328-L369 HydrophobicContact CZ-CD2 3.83Å; T364-L369 HydrophobicContact CG2-CD1 4.04Å; T364-L369 VanDerWaalsContact O-CD1 3.29Å; T364-L369 WeakPolarHBondContact O-CD1 3.46Å; L367-L369 HydrophobicContact CB-CD1 4.01Å; L367-L369 HydrophobicContact CB-CD2 3.64Å; L367-L369 HydrophobicContact CB-CG 3.49Å; L367-L369 VanDerWaalsContact CB-CG 3.49Å; L367-L369 HydrophobicContact CD2-CD2 3.86Å; L367-L369 HydrophobicContact CG-CD2 4.35Å; L367-L369 WeakPolarHBondContact O-CG 3.3Å; L367-L369 PolarHBondContact O-N 2.84Å; L369-R371 PolarHBondContact O-N 2.89Å; L369-G372 CarbonylContact O-C 3.54Å; L369-G372 PolarHBondContact O-N 2.95Å; L369-L392 HydrophobicContact CD2-CD2 3.57Å; L369-L392 HydrophobicContact CD2-CG 4.44Å; L369-V394 HydrophobicContact CB-CG2 3.91Å; L369-V394 HydrophobicContact CD1-CG2 3.83Å; L369-V394 HydrophobicContact CD2-CG2 4.17Å; L369-V394 HydrophobicContact CG-CG2 4.15Å
370G69.3Low84.9Confident74 Ų7450 Ų5076%0.76327%0.272SS*.THydrogen-bonded Turntrans54.1-107.2-174.400000112
371R64.8Low85Confident233 Ų23350 Ų5088%0.87927%0.272SS*.THydrogen-bonded Turntrans-98.8-8.4175.6-65.8-176.4178.1178.6-0.9114.3L369L369-R371 PolarHBondContact O-N 2.89Å
372G79.4Confident85.1Confident7 Ų748.7 Ų48.77%0.07227%0.274CS..EExtended strand (participates in β ladder)trans142.4-172.9-172.900000112.6L369 L392L369-G372 CarbonylContact O-C 3.54Å; L369-G372 PolarHBondContact O-N 2.95Å; G372-L392 CarbonylContact C-O 3.4Å; G372-L392 WeakPolarHBondContact CA-O 3.49Å
373G87.9Confident85.2Confident19 Ų1950 Ų5020%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-171.9-166175.600000112.7K329 L392K329-G373 WeakPolarHBondContact O-CA 3.35Å; G373-L392 PolarHBondContact N-O 3.38Å; G373-L392 PolarHBondContact O-N 3.14Å
374E92.1Very high85.6Confident67 Ų6750 Ų5031%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-119.1128.6179.4-176179.1-14100109.3F328 K329 S389F328-E374 CarbonylContact C-O 3.59Å; F328-E374 WeakPolarHBondContact CA-O 3.4Å; F328-E374 WeakPolarHBondContact CD2-O 3.29Å; K329-E374 HydrophobicContact CB-CB 4.37Å; K329-E374 PolarHBondContact N-O 2.81Å; K329-E374 PolarHBondContact O-N 2.81Å; E374-S389 WeakPolarHBondContact OE1-CB 3.48Å; E374-S389 PolarHBondContact OE1-OG 3.18Å; E374-S389 VanDerWaalsContact OE1-OG 3.07Å
375V93.7Very high86.3Confident0 Ų053.5 Ų53.50%032%0.317CS..EExtended strand (participates in β ladder)trans-102.4124.8171.7-179.70000108.1L310 W326 F328 L362 S389 V390 L392L310-V375 HydrophobicContact CD1-CB 4.41Å; L310-V375 HydrophobicContact CD1-CG1 3.79Å; L310-V375 HydrophobicContact CD1-CG2 4.34Å; W326-V375 HydrophobicContact CE3-CG1 3.64Å; W326-V375 HydrophobicContact CZ3-CG1 3.82Å; F328-V375 HydrophobicContact CD2-CG2 3.93Å; L362-V375 HydrophobicContact CD2-CG2 3.88Å; V375-S389 CarbonylContact O-C 3.55Å; V375-S389 WeakPolarHBondContact O-CA 3.24Å; V375-V390 HydrophobicContact CB-CG1 4.28Å; V375-V390 PolarHBondContact N-O 2.92Å; V375-V390 PolarHBondContact O-N 2.94Å; V375-L392 HydrophobicContact CG2-CB 4.34Å; V375-L392 HydrophobicContact CG2-CD2 4.34Å
376T96.4Very high87.4Confident11 Ų1154.9 Ų54.97%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-118.9124.5-174.8-51.30000110.1W326 E327 V378 R387 A388 S389W326-T376 CarbonylContact C-O 3.47Å; W326-T376 WeakPolarHBondContact CA-O 3.39Å; E327-T376 PolarHBondContact N-O 3.45Å; E327-T376 PolarHBondContact O-N 2.92Å; T376-V378 HydrophobicContact CG2-CG2 4.05Å; T376-R387 HydrophobicContact CG2-CB 4.17Å; T376-A388 CarbonylContact C-O 3.57Å; T376-A388 VanDerWaalsContact CA-O 3.28Å; T376-A388 WeakPolarHBondContact CA-O 3.34Å; T376-A388 WeakPolarHBondContact CG2-O 3.31Å; T376-S389 PolarHBondContact OG1-OG 3.23Å
377C97.6Very high88.5Confident0 Ų053.8 Ų53.80%030%0.302CS..EExtended strand (participates in β ladder)trans-86.9129.7163.8179.70000109I294 C312 W326 R387 A388I294-C377 HydrophobicContact CD1-CB 3.86Å; I294-C377 HydrophobicContact CG1-CB 4.01Å; C312-C377 HydrophobicContact CB-CB 3.6Å; C312-C377 WeakPolarHBondContact CB-SG 3.04Å; C312-C377 WeakPolarHBondContact SG-CB 3.39Å; C312-C377 CovalentContact SG-SG 2.03Å; C312-C377 PolarHBondContact SG-SG 3.41Å; W326-C377 HydrophobicContact CD2-CB 4.48Å; W326-C377 HydrophobicContact CE3-CB 4.06Å; W326-C377 HydrophobicContact CH2-CB 4.48Å; W326-C377 HydrophobicContact CZ3-CB 4.05Å; C377-R387 WeakPolarHBondContact O-CA 3.35Å; C377-A388 PolarHBondContact N-O 3.21Å; C377-A388 PolarHBondContact O-N 3.07Å
378V97.8Very high89.6Confident4 Ų454 Ų542%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-118.6127.1-179.1-174.30000108.5L324 S325 E327 T376 V380 T385 R387L324-V378 WeakPolarHBondContact CA-O 3.39Å; S325-V378 PolarHBondContact N-O 2.78Å; S325-V378 PolarHBondContact O-N 3Å; E327-V378 HydrophobicContact CG-CG2 3.98Å; T376-V378 HydrophobicContact CG2-CG2 4.05Å; V378-V380 HydrophobicContact CG1-CG2 4.49Å; V378-T385 HydrophobicContact CG1-CG2 3.69Å; V378-R387 HydrophobicContact CG1-CG 4.17Å; V378-R387 HydrophobicContact CG2-CG 4.18Å
379A97.9Very high90.9Very high0 Ų049.3 Ų49.30%029%0.285CS..EExtended strand (participates in β ladder)trans-119.8114.818000000109.7P290 L292 L322 E323 L324 T385 R386P290-A379 HydrophobicContact CG-CB 4Å; L292-A379 HydrophobicContact CD1-CB 3.79Å; L292-A379 HydrophobicContact CD2-CB 3.71Å; L292-A379 HydrophobicContact CG-CB 4.24Å; L322-A379 HydrophobicContact CD1-CB 4.17Å; E323-A379 CarbonylContact O-C 3.49Å; E323-A379 WeakPolarHBondContact O-CA 2.99Å; L324-A379 HydrophobicContact CD2-CB 3.47Å; L324-A379 VanDerWaalsContact CD2-CB 3.47Å; A379-T385 CarbonylContact O-C 3.47Å; A379-T385 WeakPolarHBondContact O-CA 3.35Å; A379-R386 HydrophobicContact CB-CB 4.46Å; A379-R386 PolarHBondContact N-O 2.94Å; A379-R386 PolarHBondContact O-N 3.04Å
380V97.7Very high92.3Very high61 Ų6149.2 Ų49.237%0.3729%0.285SS..EExtended strand (participates in β ladder)trans-99.7123.8177.4-177.50000108.6L322 E323 V378 T385L322-V380 WeakPolarHBondContact CD1-O 3.41Å; E323-V380 HydrophobicContact CB-CB 4.29Å; E323-V380 PolarHBondContact N-O 3.39Å; E323-V380 PolarHBondContact O-N 3.4Å; V378-V380 HydrophobicContact CG1-CG2 4.49Å; V380-T385 HydrophobicContact CG2-CG2 4.22Å
381H97.5Very high93.4Very high17 Ų1749.6 Ų49.68%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-140.6163.3-172.4-174.3-111.9000111.1E288 A318 P319 L322 G383 G384E288-H381 PolarHBondContact O-CE1 2.73Å; A318-H381 PolarHBondContact O-CE1 2.68Å; A318-H381 PolarHBondContact O-NE2 3.21Å; P319-H381 PolarHBondContact O-NE2 2.79Å; L322-H381 HydrophobicContact CD1-CB 3.57Å; H381-G383 PolarHBondContact ND1-N 3.47Å; H381-G383 PolarHBondContact O-N 2.87Å; H381-G384 WeakPolarHBondContact CB-O 3.49Å; H381-G384 PolarHBondContact N-O 3.26Å; H381-G384 PolarHBondContact O-N 3.36Å
382A95.8Very high94.6Very high63 Ų6338.5 Ų38.552%0.52123%0.231SC..THydrogen-bonded Turntrans-57.4-31.1173.200000113.1V287 G384V287-A382 HydrophobicContact CG1-CB 4.07Å; A382-G384 PolarHBondContact O-N 2.97Å
383G93.8Very high94.9Very high30 Ų3042.4 Ų42.431%0.30925%0.25SC..THydrogen-bonded Turntrans-81.79.8173.600000114.9V287 H381V287-G383 VanDerWaalsContact CG1-CA 3.42Å; V287-G383 VanDerWaalsContact CG1-N 3.29Å; H381-G383 PolarHBondContact ND1-N 3.47Å; H381-G383 PolarHBondContact O-N 2.87Å
384G96.1Very high94.6Very high34 Ų3442.6 Ų42.635%0.35125%0.247SC..EExtended strand (participates in β ladder)trans105.6-177.5179.500000114.2H381 A382H381-G384 WeakPolarHBondContact CB-O 3.49Å; H381-G384 PolarHBondContact N-O 3.26Å; H381-G384 PolarHBondContact O-N 3.36Å; A382-G384 PolarHBondContact O-N 2.97Å
385T97.5Very high93.8Very high76 Ų7643.6 Ų43.647%0.46625%0.254SS..EExtended strand (participates in β ladder)trans-92.2129.4179.3-57.80000111.2V378 A379 V380 R387V378-T385 HydrophobicContact CG1-CG2 3.69Å; A379-T385 CarbonylContact O-C 3.47Å; A379-T385 WeakPolarHBondContact O-CA 3.35Å; V380-T385 HydrophobicContact CG2-CG2 4.22Å; T385-R387 HydrophobicContact CG2-CG 4.39Å
386R97.9Very high92.2Very high110 Ų11046.4 Ų46.442%0.41528%0.283SS..EExtended strand (participates in β ladder)trans-110.1149.2171.4-63.9-63.9-165.1158.48.1110.2P289 P290 L292 A379P289-R386 HydrophobicContact CB-CG 4.3Å; P290-R386 HydrophobicContact CG-CB 4.38Å; P290-R386 HydrophobicContact CG-CG 4.22Å; L292-R386 HydrophobicContact CD1-CB 3.81Å; L292-R386 HydrophobicContact CG-CB 4.16Å; A379-R386 HydrophobicContact CB-CB 4.46Å; A379-R386 PolarHBondContact N-O 2.94Å; A379-R386 PolarHBondContact O-N 3.04Å
387R97.6Very high90.1Very high138 Ų13855.9 Ų55.952%0.52132%0.324SS..EExtended strand (participates in β ladder)trans-137.4136-179-65.1-179.7169.8-103.7-8.6109.4E327 T376 C377 V378 T385E327-R387 IonicContact OE1-CZ 3.88Å; E327-R387 IonicContact OE1-NH1 2.68Å; E327-R387 PolarHBondContact OE1-NH1 3.4Å; E327-R387 VanDerWaalsContact OE1-NH1 3.12Å; E327-R387 IonicContact OE1-NH2 2.98Å; E327-R387 PolarHBondContact OE1-NH2 3.35Å; E327-R387 IonicContact OE2-CZ 2.92Å; E327-R387 IonicContact OE2-NH1 2.74Å; E327-R387 PolarHBondContact OE2-NH1 3.35Å; E327-R387 IonicContact OE2-NH2 3.12Å; T376-R387 HydrophobicContact CG2-CB 4.17Å; C377-R387 WeakPolarHBondContact O-CA 3.35Å; V378-R387 HydrophobicContact CG1-CG 4.17Å; V378-R387 HydrophobicContact CG2-CG 4.18Å; T385-R387 HydrophobicContact CG2-CG 4.39Å
388A97.3Very high87.8Confident18 Ų1860.5 Ų60.515%0.14936%0.356CS..EExtended strand (participates in β ladder)trans-126.7137.7168.200000108.3L292 I294 T376 C377L292-A388 HydrophobicContact CB-CB 3.66Å; L292-A388 HydrophobicContact CD1-CB 4.29Å; I294-A388 HydrophobicContact CD1-CB 4.22Å; I294-A388 VanDerWaalsContact CD1-O 3.27Å; I294-A388 WeakPolarHBondContact CD1-O 3.12Å; I294-A388 HydrophobicContact CG1-CB 4.35Å; T376-A388 CarbonylContact C-O 3.57Å; T376-A388 VanDerWaalsContact CA-O 3.28Å; T376-A388 WeakPolarHBondContact CA-O 3.34Å; T376-A388 WeakPolarHBondContact CG2-O 3.31Å; C377-A388 PolarHBondContact N-O 3.21Å; C377-A388 PolarHBondContact O-N 3.07Å
389S96.1Very high85.8Confident61 Ų6165.3 Ų65.343%0.42739%0.39SS..EExtended strand (participates in β ladder)trans-123.5149.6-177.1-60.60000111.4E374 V375 T376E374-S389 WeakPolarHBondContact OE1-CB 3.48Å; E374-S389 PolarHBondContact OE1-OG 3.18Å; E374-S389 VanDerWaalsContact OE1-OG 3.07Å; V375-S389 CarbonylContact O-C 3.55Å; V375-S389 WeakPolarHBondContact O-CA 3.24Å; T376-S389 PolarHBondContact OG1-OG 3.23Å
390V94.9Very high83.9Confident10 Ų1069 Ų696%0.06141%0.414CS..EExtended strand (participates in β ladder)trans-139.5142.9170.4700000110.4I294 L299 V375I294-V390 HydrophobicContact CB-CG1 4.44Å; I294-V390 HydrophobicContact CD1-CG1 4.22Å; I294-V390 HydrophobicContact CG2-CB 4.47Å; I294-V390 HydrophobicContact CG2-CG1 3.8Å; L299-V390 HydrophobicContact CD1-CG1 3.7Å; L299-V390 HydrophobicContact CD2-CG1 4.13Å; L299-V390 HydrophobicContact CG-CB 4.44Å; L299-V390 HydrophobicContact CG-CG1 3.75Å; L299-V390 HydrophobicContact CG-CG2 3.83Å; V375-V390 HydrophobicContact CB-CG1 4.28Å; V375-V390 PolarHBondContact N-O 2.92Å; V375-V390 PolarHBondContact O-N 2.94Å
391T92.4Very high82.3Confident82 Ų8268.4 Ų68.450%0.50341%0.413SS..EExtended strand (participates in β ladder)trans-80.8135.1-179.947.60000111.6
392L89.4Confident80.8Confident0 Ų074 Ų740%044%0.442CS..EExtended strand (participates in β ladder)trans-109.2108.1176.4177.765000108.9L299 A302 L308 F328 L362 L367 L369 G372 G373 V375L299-L392 HydrophobicContact CD1-CB 4.05Å; L299-L392 HydrophobicContact CD1-CD1 3.89Å; A302-L392 HydrophobicContact CB-CD1 3.76Å; L308-L392 HydrophobicContact CD1-CD1 3.49Å; L308-L392 VanDerWaalsContact CD1-CD1 3.49Å; F328-L392 HydrophobicContact CE2-CD2 4.12Å; L362-L392 HydrophobicContact CD2-CD2 3.91Å; L367-L392 HydrophobicContact CD2-CD2 4.49Å; L369-L392 HydrophobicContact CD2-CD2 3.57Å; L369-L392 HydrophobicContact CD2-CG 4.44Å; G372-L392 CarbonylContact C-O 3.4Å; G372-L392 WeakPolarHBondContact CA-O 3.49Å; G373-L392 PolarHBondContact N-O 3.38Å; G373-L392 PolarHBondContact O-N 3.14Å; V375-L392 HydrophobicContact CG2-CB 4.34Å; V375-L392 HydrophobicContact CG2-CD2 4.34Å
393N86.6Confident79.6Confident89 Ų8978.1 Ų78.148%0.47645%0.45SS..EExtended strand (participates in β ladder)trans-98.8137.7177.4-66.5-32.4000110.2L301 A302L301-N393 HydrophobicContact CD2-CB 3.72Å; A302-N393 PolarHBondContact N-O 3.36Å
394V81.1Confident78.6Confident24 Ų2480.7 Ų80.715%0.14546%0.457CS..BIsolated β-bridgetrans-115.8136.3-174.6-178.50000111.2A302 P304 L369 G396A302-V394 HydrophobicContact CB-CG2 4.29Å; A302-V394 CarbonylContact O-C 3.48Å; A302-V394 WeakPolarHBondContact O-CA 3.36Å; P304-V394 HydrophobicContact CG-CG1 3.99Å; L369-V394 HydrophobicContact CB-CG2 3.91Å; L369-V394 HydrophobicContact CD1-CG2 3.83Å; L369-V394 HydrophobicContact CD2-CG2 4.17Å; L369-V394 HydrophobicContact CG-CG2 4.15Å; V394-G396 PolarHBondContact O-N 3.04Å
395I73.9Confident77.6Confident87 Ų8781.5 Ų81.545%0.44646%0.457SS..  trans-76.9104.7172.3-60.2170.1000108L301 A302 V303 P304L301-I395 HydrophobicContact CB-CD1 3.88Å; L301-I395 HydrophobicContact CB-CG1 3.91Å; L301-I395 HydrophobicContact CD2-CG1 4.5Å; A302-I395 PolarHBondContact O-N 3.39Å; V303-I395 HydrophobicContact CG2-CD1 4.11Å; P304-I395 WeakPolarHBondContact CD-O 3.47Å
396G60.9Low76.7Confident60 Ų6084.1 Ų84.162%0.61947%0.465SS*.  trans-131127.5172.900000110.7V394 S398V394-G396 PolarHBondContact O-N 3.04Å; G396-S398 PolarHBondContact O-N 2.86Å
397F52.3Low75.9Confident209 Ų20981.6 Ų81.692%0.91747%0.468SS*.PPolyproline II helixtrans-64.6124.5154.6-75.4-90.2000106.9S399F397-S399 PolarHBondContact O-N 3.4Å; F397-S399 VanDerWaalsContact O-N 3.14Å
398S49.8Very low75.3Confident98 Ų9881.6 Ų81.669%0.68548%0.476SS*.PPolyproline II helixtrans-58.9119.4167.3470000108.4G396G396-S398 PolarHBondContact O-N 2.86Å
399S55.7Low74.8Confident104 Ų10485 Ų8573%0.72749%0.494SS*.PPolyproline II helixtrans-50.7124.2151.152.80000106.3F397 S401F397-S399 PolarHBondContact O-N 3.4Å; F397-S399 VanDerWaalsContact O-N 3.14Å; S399-S401 PolarHBondContact O-N 3.26Å
400P56.9Low74.4Confident77 Ų7783.5 Ų83.550%0.549%0.489SS..PPolyproline II helixtrans-53138.8-17219.1-31.4000110D404P400-D404 HydrophobicContact CB-CB 3.8Å
401S65.4Low74.2Confident50 Ų5087.2 Ų87.235%0.3551%0.512SS..PPolyproline II helixtrans-52.5157.2174-179.20000109.7S399 E403 D404 S405S399-S401 PolarHBondContact O-N 3.26Å; S401-E403 PolarHBondContact O-N 3.46Å; S401-E403 PolarHBondContact OG-N 2.8Å; S401-D404 WeakPolarHBondContact CB-OD2 3.32Å; S401-D404 PolarHBondContact N-OD2 3.42Å; S401-D404 PolarHBondContact O-N 3.44Å; S401-D404 VanDerWaalsContact O-N 3.11Å; S401-S405 WeakPolarHBondContact O-CB 3.45Å; S401-S405 PolarHBondContact O-N 3.11Å; S401-S405 PolarHBondContact O-OG 2.97Å
402I66.3Low74.1Confident135 Ų13586 Ų8669%0.69251%0.51SS*.Hα-helixtrans-56.6-34.3167.1-64.1175.8000109S405 M406I402-S405 PolarHBondContact O-N 3.2Å; I402-M406 HydrophobicContact CG2-CG 4.41Å; I402-M406 HydrophobicContact CG2-SD 4.02Å; I402-M406 WeakPolarHBondContact O-CB 3.18Å; I402-M406 WeakPolarHBondContact O-CG 3.38Å; I402-M406 PolarHBondContact O-N 2.95Å
403E70.7Confident74.3Confident149 Ų14991.4 Ų91.470%0.69654%0.538SS*.Hα-helixtrans-66.5-44.3173.3-64.7177.9137.900113S401 S405 M406 A407S401-E403 PolarHBondContact O-N 3.46Å; S401-E403 PolarHBondContact OG-N 2.8Å; E403-S405 VanDerWaalsContact C-N 3.27Å; E403-S405 PolarHBondContact O-N 3.24Å; E403-M406 PolarHBondContact O-N 3.41Å; E403-A407 WeakPolarHBondContact O-CB 3.34Å; E403-A407 PolarHBondContact O-N 3.49Å
404D72.6Confident74.5Confident84 Ų8491.7 Ų91.745%0.44954%0.543SS..Hα-helixtrans-63.3-37.8175.9-59.1-40.1000111.1P400 S401 A407 M408P400-D404 HydrophobicContact CB-CB 3.8Å; S401-D404 WeakPolarHBondContact CB-OD2 3.32Å; S401-D404 PolarHBondContact N-OD2 3.42Å; S401-D404 PolarHBondContact O-N 3.44Å; S401-D404 VanDerWaalsContact O-N 3.11Å; D404-A407 PolarHBondContact O-N 2.86Å; D404-M408 WeakPolarHBondContact O-CB 3.34Å; D404-M408 VanDerWaalsContact O-CG 3.32Å; D404-M408 WeakPolarHBondContact O-CG 3.36Å; D404-M408 PolarHBondContact O-N 2.89Å
405S75.4Confident75Confident50 Ų5095.1 Ų95.135%0.3556%0.56SS.*Hα-helixtrans-68.2-42.6176.6-55.60000111.1S401 I402 E403 M408 V409S401-S405 WeakPolarHBondContact O-CB 3.45Å; S401-S405 PolarHBondContact O-N 3.11Å; S401-S405 PolarHBondContact O-OG 2.97Å; I402-S405 PolarHBondContact O-N 3.2Å; E403-S405 VanDerWaalsContact C-N 3.27Å; E403-S405 PolarHBondContact O-N 3.24Å; S405-M408 PolarHBondContact O-N 2.86Å; S405-V409 WeakPolarHBondContact O-CG2 3.33Å; S405-V409 PolarHBondContact O-N 2.82Å
406M77.9Confident75.8Confident131 Ų13197.7 Ų97.765%0.64557%0.565SS**Hα-helixtrans-64.8-38.6172.8-76.3174.364.400111.9I402 E403 V409 G410I402-M406 HydrophobicContact CG2-CG 4.41Å; I402-M406 HydrophobicContact CG2-SD 4.02Å; I402-M406 WeakPolarHBondContact O-CB 3.18Å; I402-M406 WeakPolarHBondContact O-CG 3.38Å; I402-M406 PolarHBondContact O-N 2.95Å; E403-M406 PolarHBondContact O-N 3.41Å; M406-V409 PolarHBondContact O-N 3.49Å; M406-G410 PolarHBondContact O-N 3.27Å
407A81.2Confident77.1Confident58 Ų5896.6 Ų96.648%0.47955%0.554SS.*Hα-helixtrans-65.3-44.6175.100000111.4E403 D404 V409 G410 V411E403-A407 WeakPolarHBondContact O-CB 3.34Å; E403-A407 PolarHBondContact O-N 3.49Å; D404-A407 PolarHBondContact O-N 2.86Å; A407-V409 PolarHBondContact O-N 3.29Å; A407-G410 PolarHBondContact O-N 3.47Å; A407-V411 WeakPolarHBondContact O-CG2 3.2Å; A407-V411 PolarHBondContact O-N 3.43Å
408M84.5Confident78.7Confident137 Ų13791.3 Ų91.368%0.67554%0.535SS*.Hα-helixtrans-60.1-43.7173.8-76.5-119.5-73.300112.3D404 S405 V411 A412D404-M408 WeakPolarHBondContact O-CB 3.34Å; D404-M408 VanDerWaalsContact O-CG 3.32Å; D404-M408 WeakPolarHBondContact O-CG 3.36Å; D404-M408 PolarHBondContact O-N 2.89Å; S405-M408 PolarHBondContact O-N 2.86Å; M408-V411 PolarHBondContact O-N 3.22Å; M408-A412 WeakPolarHBondContact O-CB 3.38Å; M408-A412 PolarHBondContact O-N 3.43Å
409V87.1Confident80.5Confident89 Ų8992.1 Ų92.154%0.53953%0.53SS..Hα-helixtrans-64.1-41.8174.3171.10000111.2S405 M406 A407 A412 L413S405-V409 WeakPolarHBondContact O-CG2 3.33Å; S405-V409 PolarHBondContact O-N 2.82Å; M406-V409 PolarHBondContact O-N 3.49Å; A407-V409 PolarHBondContact O-N 3.29Å; V409-A412 PolarHBondContact O-N 3.32Å; V409-L413 HydrophobicContact CG1-CD1 4.06Å; V409-L413 HydrophobicContact CG1-CG 4.42Å; V409-L413 WeakPolarHBondContact O-CG 3.34Å; V409-L413 PolarHBondContact O-N 2.79Å
410G87.8Confident81.8Confident31 Ų3192.6 Ų92.632%0.3252%0.519SS..Hα-helixtrans-60.1-47.3175.800000112.7M406 A407 A412 L413 V414M406-G410 PolarHBondContact O-N 3.27Å; A407-G410 PolarHBondContact O-N 3.47Å; G410-A412 PolarHBondContact O-N 3.49Å; G410-L413 PolarHBondContact O-N 2.9Å; G410-V414 WeakPolarHBondContact O-CG2 3.45Å; G410-V414 PolarHBondContact O-N 2.9Å
411V91.4Very high82.9Confident88 Ų8895.2 Ų95.253%0.53352%0.523SS..Hα-helixtrans-61.6-43175171.60000111.1A407 M408 L413 V414 L415A407-V411 WeakPolarHBondContact O-CG2 3.2Å; A407-V411 PolarHBondContact O-N 3.43Å; M408-V411 PolarHBondContact O-N 3.22Å; V411-L413 PolarHBondContact O-N 2.83Å; V411-V414 PolarHBondContact O-N 2.91Å; V411-L415 HydrophobicContact CG1-CD1 3.9Å; V411-L415 HydrophobicContact CG1-CG 4.39Å; V411-L415 WeakPolarHBondContact O-CB 3.23Å; V411-L415 WeakPolarHBondContact O-CG 3.48Å; V411-L415 PolarHBondContact O-N 3.33Å
412A90Very high83.6Confident56 Ų5696.5 Ų96.546%0.46353%0.528SS..Hα-helixtrans-62.3-40.1176.600000112.6M408 V409 G410 Y416M408-A412 WeakPolarHBondContact O-CB 3.38Å; M408-A412 PolarHBondContact O-N 3.43Å; V409-A412 PolarHBondContact O-N 3.32Å; G410-A412 PolarHBondContact O-N 3.49Å; A412-Y416 WeakPolarHBondContact O-CB 3.44Å; A412-Y416 PolarHBondContact O-N 2.87Å
413L92Very high83.8Confident114 Ų11493 Ų9360%0.59752%0.516SS*.Hα-helixtrans-67.7-40175.6-71.9172.7000112.4V409 G410 V411 Y416 G417V409-L413 HydrophobicContact CG1-CD1 4.06Å; V409-L413 HydrophobicContact CG1-CG 4.42Å; V409-L413 WeakPolarHBondContact O-CG 3.34Å; V409-L413 PolarHBondContact O-N 2.79Å; G410-L413 PolarHBondContact O-N 2.9Å; V411-L413 PolarHBondContact O-N 2.83Å; L413-Y416 PolarHBondContact O-N 3.24Å; L413-G417 PolarHBondContact O-N 2.96Å
414V91.3Very high83.8Confident94 Ų9495.5 Ų95.557%0.5752%0.519SS*.Hα-helixtrans-63.8-46.1174.3170.70000110.8G410 V411 Y416 G417 L418G410-V414 WeakPolarHBondContact O-CG2 3.45Å; G410-V414 PolarHBondContact O-N 2.9Å; V411-V414 PolarHBondContact O-N 2.91Å; V414-Y416 PolarHBondContact O-N 3.44Å; V414-G417 PolarHBondContact O-N 3.29Å; V414-L418 HydrophobicContact CG1-CD1 4.09Å; V414-L418 WeakPolarHBondContact O-CG 3.39Å; V414-L418 PolarHBondContact O-N 3.44Å
415L91.1Very high83.5Confident96 Ų9694.3 Ų94.350%0.50352%0.517SS..Hα-helixtrans-61.2-43.8175.9-73.3170.4000111.8V411 G417 L418 I419V411-L415 HydrophobicContact CG1-CD1 3.9Å; V411-L415 HydrophobicContact CG1-CG 4.39Å; V411-L415 WeakPolarHBondContact O-CB 3.23Å; V411-L415 WeakPolarHBondContact O-CG 3.48Å; V411-L415 PolarHBondContact O-N 3.33Å; L415-G417 VanDerWaalsContact C-N 3.35Å; L415-G417 PolarHBondContact O-N 3.46Å; L415-L418 PolarHBondContact O-N 2.89Å; L415-I419 WeakPolarHBondContact O-CB 3.33Å; L415-I419 WeakPolarHBondContact O-CD1 3.37Å; L415-I419 VanDerWaalsContact O-CG1 3.23Å; L415-I419 WeakPolarHBondContact O-CG1 3.08Å; L415-I419 PolarHBondContact O-N 3.4Å
416Y91.2Very high82.8Confident141 Ų14199.8 Ų99.855%0.55354%0.535SS*.Hα-helixtrans-62.6-41175.1-179.3-104.2000112.2A412 L413 V414 I419 K420A412-Y416 WeakPolarHBondContact O-CB 3.44Å; A412-Y416 PolarHBondContact O-N 2.87Å; L413-Y416 PolarHBondContact O-N 3.24Å; V414-Y416 PolarHBondContact O-N 3.44Å; Y416-I419 PolarHBondContact O-N 2.9Å; Y416-K420 HydrophobicContact CD1-CG 4.41Å; Y416-K420 HydrophobicContact CE1-CG 3.98Å; Y416-K420 HydrophobicContact CE2-CG 4.22Å; Y416-K420 WeakPolarHBondContact O-CB 3.41Å; Y416-K420 WeakPolarHBondContact O-CG 3.5Å; Y416-K420 PolarHBondContact O-N 3.49Å; Y416-K420 WeakPolarHBondContact OH-CE 3.41Å
417G88Confident81.8Confident38 Ų3898.2 Ų98.239%0.39253%0.533SS..Hα-helixtrans-60.3-45.2173.700000112.6L413 V414 L415 K420 F421L413-G417 PolarHBondContact O-N 2.96Å; V414-G417 PolarHBondContact O-N 3.29Å; L415-G417 VanDerWaalsContact C-N 3.35Å; L415-G417 PolarHBondContact O-N 3.46Å; G417-K420 PolarHBondContact O-N 2.94Å; G417-F421 WeakPolarHBondContact O-CB 3.34Å; G417-F421 PolarHBondContact O-N 2.9Å
418L87.4Confident80.5Confident98 Ų9898.2 Ų98.251%0.51354%0.538SS..Hα-helixtrans-63.7-44.8175.4-71.2170.2000111.9V414 L415 K420 F421 V422V414-L418 HydrophobicContact CG1-CD1 4.09Å; V414-L418 WeakPolarHBondContact O-CG 3.39Å; V414-L418 PolarHBondContact O-N 3.44Å; L415-L418 PolarHBondContact O-N 2.89Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 3.27Å; L418-F421 PolarHBondContact O-N 3.45Å; L418-V422 WeakPolarHBondContact O-CG2 3.34Å; L418-V422 PolarHBondContact O-N 3.42Å
419I86.8Confident78.9Confident115 Ų11596.5 Ų96.559%0.5954%0.54SS*.Hα-helixtrans-60.8-43.2176.3-69.5162.9000110.7L415 Y416 S423L415-I419 WeakPolarHBondContact O-CB 3.33Å; L415-I419 WeakPolarHBondContact O-CD1 3.37Å; L415-I419 VanDerWaalsContact O-CG1 3.23Å; L415-I419 WeakPolarHBondContact O-CG1 3.08Å; L415-I419 PolarHBondContact O-N 3.4Å; Y416-I419 PolarHBondContact O-N 2.9Å; I419-S423 VanDerWaalsContact O-CB 3.26Å; I419-S423 WeakPolarHBondContact O-CB 3.37Å; I419-S423 PolarHBondContact O-N 2.91Å
420K83.1Confident77.2Confident114 Ų11499.7 Ų99.750%0.49655%0.554SS.*Hα-helixtrans-66.6-40.5175.7-80.6-67.8-172.8-177.60112.7Y416 G417 L418 S423 W424Y416-K420 HydrophobicContact CD1-CG 4.41Å; Y416-K420 HydrophobicContact CE1-CG 3.98Å; Y416-K420 HydrophobicContact CE2-CG 4.22Å; Y416-K420 WeakPolarHBondContact O-CB 3.41Å; Y416-K420 WeakPolarHBondContact O-CG 3.5Å; Y416-K420 PolarHBondContact O-N 3.49Å; Y416-K420 WeakPolarHBondContact OH-CE 3.41Å; G417-K420 PolarHBondContact O-N 2.94Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 3.27Å; K420-S423 PolarHBondContact O-N 2.89Å; K420-W424 WeakPolarHBondContact O-CB 3.26Å; K420-W424 PolarHBondContact O-N 2.84Å
421F79.1Confident75.3Confident132 Ų132107.7 Ų107.758%0.57958%0.58SS**Hα-helixtrans-61.8-50.3176.2-178.4-97.6000111.3G417 L418 S423 W424 S425G417-F421 WeakPolarHBondContact O-CB 3.34Å; G417-F421 PolarHBondContact O-N 2.9Å; L418-F421 PolarHBondContact O-N 3.45Å; F421-S423 PolarHBondContact O-N 3.19Å; F421-W424 PolarHBondContact O-N 3Å; F421-W424 VanDerWaalsContact O-N 3.1Å; F421-S425 PolarHBondContact O-N 2.9Å; F421-S425 PolarHBondContact O-OG 3.38Å
422V79.9Confident73.2Confident76 Ų76107.8 Ų107.846%0.46159%0.59SS.*Hα-helixtrans-58.1-47.7175.5171.90000110.9L418 W424 S425 F426L418-V422 WeakPolarHBondContact O-CG2 3.34Å; L418-V422 PolarHBondContact O-N 3.42Å; V422-W424 VanDerWaalsContact C-N 3.27Å; V422-W424 PolarHBondContact O-N 3.45Å; V422-S425 PolarHBondContact O-N 3.31Å; V422-F426 HydrophobicContact CG1-CD2 3.77Å; V422-F426 HydrophobicContact CG1-CE2 3.9Å; V422-F426 WeakPolarHBondContact O-CD2 3.41Å; V422-F426 PolarHBondContact O-N 2.68Å
423S71.9Confident70.9Confident61 Ų61113.6 Ų113.643%0.42761%0.613SS.*Hα-helixtrans-58-37.9176175.30000112.5I419 K420 F421 T427I419-S423 VanDerWaalsContact O-CB 3.26Å; I419-S423 WeakPolarHBondContact O-CB 3.37Å; I419-S423 PolarHBondContact O-N 2.91Å; K420-S423 PolarHBondContact O-N 2.89Å; F421-S423 PolarHBondContact O-N 3.19Å; S423-T427 WeakPolarHBondContact O-CB 3.33Å; S423-T427 PolarHBondContact O-N 2.84Å; S423-T427 VanDerWaalsContact O-N 3.08Å; S423-T427 PolarHBondContact O-OG1 3.08Å
424W69.5Low68.4Low203 Ų203111.4 Ų111.477%0.76962%0.618SS**Hα-helixtrans-72.6-42.2178.1-161.249000112.3K420 F421 V422 F426 T427 G428K420-W424 WeakPolarHBondContact O-CB 3.26Å; K420-W424 PolarHBondContact O-N 2.84Å; F421-W424 PolarHBondContact O-N 3Å; F421-W424 VanDerWaalsContact O-N 3.1Å; V422-W424 VanDerWaalsContact C-N 3.27Å; V422-W424 PolarHBondContact O-N 3.45Å; W424-F426 PolarHBondContact O-N 3.2Å; W424-T427 PolarHBondContact O-N 3.46Å; W424-G428 PolarHBondContact O-N 3.28Å
425S66.3Low65.9Low59 Ų59116.7 Ų116.741%0.41364%0.637SS.*Hα-helixtrans-60-42.1174.4-59.20000112.6F421 V422 S429F421-S425 PolarHBondContact O-N 2.9Å; F421-S425 PolarHBondContact O-OG 3.38Å; V422-S425 PolarHBondContact O-N 3.31Å; S425-S429 PolarHBondContact O-N 3.1Å
426F61.2Low63.7Low165 Ų165118 Ų11872%0.72464%0.644SS**Hα-helixtrans-70.7-30.2175.7-85.3-77.9000113.3V422 W424V422-F426 HydrophobicContact CG1-CD2 3.77Å; V422-F426 HydrophobicContact CG1-CE2 3.9Å; V422-F426 WeakPolarHBondContact O-CD2 3.41Å; V422-F426 PolarHBondContact O-N 2.68Å; W424-F426 PolarHBondContact O-N 3.2Å
427T57.4Low61.5Low98 Ų98118.9 Ų118.960%0.60165%0.651SS**Hα-helixtrans-81.2-31.1178.1-48.40000112.4S423 W424 S429S423-T427 WeakPolarHBondContact O-CB 3.33Å; S423-T427 PolarHBondContact O-N 2.84Å; S423-T427 VanDerWaalsContact O-N 3.08Å; S423-T427 PolarHBondContact O-OG1 3.08Å; W424-T427 PolarHBondContact O-N 3.46Å; T427-S429 VanDerWaalsContact C-N 3.34Å
428G54.5Low59.4Low57 Ų57124.4 Ų124.459%0.58866%0.664SS**Hα-helixtrans-71.2-24.4177.700000114.3W424 N430W424-G428 PolarHBondContact O-N 3.28Å; G428-N430 VanDerWaalsContact C-N 3.28Å; G428-N430 PolarHBondContact O-N 3.34Å
429S50.3Low57.5Low102 Ų102126.5 Ų126.571%0.71367%0.671SS**THydrogen-bonded Turntrans-76.6-6.6-177.8-167.10000114.8S425 T427S425-S429 PolarHBondContact O-N 3.1Å; T427-S429 VanDerWaalsContact C-N 3.34Å
430N50.3Low55.4Low156 Ų156134.3 Ų134.383%0.83470%0.701SS**THydrogen-bonded Turntrans-109.826.9-170.7-131.227.9000113.5G428G428-N430 VanDerWaalsContact C-N 3.28Å; G428-N430 PolarHBondContact O-N 3.34Å
431K49.8Very low54Low199 Ų199135.4 Ų135.487%0.86571%0.711SS**SBendtrans-140.748.1-179-149.8174.6-171.5177.40114
432A46.8Very low52.7Low90 Ų90135.5 Ų135.574%0.74472%0.718SS**  trans-153.874.8168.900000111.4
433D41.2Very low51.1Low177 Ų177138.8 Ų138.895%0.94773%0.733SS**  -179.2149.5129.4-109.1-26.6000113.2
434G39.4Very low49.9Very low68 Ų68143.4 Ų143.470%0.70175%0.751SS**  trans94.992.3157.400000118.6
435E39.3Very low48.7Very low206 Ų206139.7 Ų139.796%0.96375%0.749SS**  -168.1148.3105.5-104.9-177.6161.600111.8
436D45.4Very low47.5Very low123 Ų123145.1 Ų145.166%0.65877%0.772SS**  trans-146.2147-165.5-18028.2000110.5
437K43.5Very low46.6Very low160 Ų160143.6 Ų143.670%0.69678%0.775SS**  trans67.7153.7174.6-63.9178.1-176.979.80115.9
438K44.2Very low45.7Very low153 Ų153147.2 Ų147.267%0.66579%0.789SS**  cis-168.7170.6-2.1-115.7-167.7170-145.30107.3
439E46.9Very low45Very low143 Ų143154.7 Ų154.767%0.66881%0.806SS**  cis-168.5134.3-8.9-177.8154.3-116.900110.2
440K42.8Very low44.5Very low279 Ų279159.5 Ų159.5100%1.21381%0.814SS**  trans-167.10137-127-178-176.5-179.80113.4

Retrieved 440 of 440 residues in 284 ms (Link to these results)